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_B 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 0.070 122.931 122.820 0.068 0.000 1.873 5 A HA 0.299 4.619 4.320 -0.001 0.000 0.188 5 A C 1.489 179.086 177.584 0.021 0.000 2.054 5 A CA 0.665 52.728 52.037 0.044 0.000 1.506 5 A CB -0.209 18.811 19.000 0.034 0.000 1.084 5 A HN 0.035 nan 8.150 nan 0.000 0.620 6 S N 0.908 116.612 115.700 0.008 0.000 2.562 6 S HA 0.394 4.863 4.470 -0.001 0.000 0.221 6 S C 1.010 175.608 174.600 -0.003 0.000 0.975 6 S CA 0.343 58.544 58.200 0.002 0.000 0.918 6 S CB -0.403 62.796 63.200 -0.002 0.000 0.772 6 S HN 0.904 nan 8.310 nan 0.000 0.531 7 A N 1.874 124.689 122.820 -0.008 0.000 2.540 7 A HA 0.253 4.572 4.320 -0.001 0.000 0.239 7 A C 0.205 177.787 177.584 -0.003 0.000 1.061 7 A CA 0.020 52.050 52.037 -0.011 0.000 0.758 7 A CB -0.358 18.628 19.000 -0.023 0.000 0.991 7 A HN 0.442 nan 8.150 nan 0.000 0.502 8 I N 2.339 122.907 120.570 -0.003 0.000 2.517 8 I HA 0.015 4.184 4.170 -0.001 0.000 0.285 8 I C 1.319 177.437 176.117 0.001 0.000 1.106 8 I CA 0.341 61.641 61.300 -0.000 0.000 1.402 8 I CB 0.774 38.774 38.000 0.000 0.000 1.399 8 I HN 1.008 nan 8.210 nan 0.000 0.535 9 E N 3.878 124.080 120.200 0.004 0.000 2.127 9 E HA 0.002 4.352 4.350 -0.001 0.000 0.191 9 E C 0.090 176.693 176.600 0.004 0.000 0.964 9 E CA 0.357 56.760 56.400 0.006 0.000 0.832 9 E CB 0.538 30.245 29.700 0.011 0.000 0.790 9 E HN 0.768 nan 8.360 nan 0.000 0.465 10 S N -0.804 114.899 115.700 0.004 0.000 2.565 10 S HA 0.530 4.999 4.470 -0.001 0.000 0.269 10 S C -0.943 173.659 174.600 0.004 0.000 1.153 10 S CA -0.986 57.216 58.200 0.003 0.000 0.835 10 S CB 1.363 64.566 63.200 0.004 0.000 1.122 10 S HN 0.108 nan 8.310 nan 0.000 0.462 11 I N 1.263 121.836 120.570 0.004 0.000 2.497 11 I HA 0.426 4.596 4.170 -0.001 0.000 0.284 11 I C -0.630 175.492 176.117 0.007 0.000 1.060 11 I CA -0.199 61.105 61.300 0.007 0.000 1.071 11 I CB 1.883 39.888 38.000 0.009 0.000 1.216 11 I HN 0.837 nan 8.210 nan 0.000 0.442 12 E N 5.314 125.520 120.200 0.010 0.000 2.171 12 E HA 0.507 4.856 4.350 -0.001 0.000 0.271 12 E C -0.869 175.741 176.600 0.016 0.000 0.916 12 E CA -0.510 55.896 56.400 0.011 0.000 0.774 12 E CB 1.665 31.372 29.700 0.012 0.000 1.128 12 E HN 0.586 nan 8.360 nan 0.000 0.403 13 T N 2.421 116.986 114.554 0.017 0.000 2.779 13 T HA 0.602 4.952 4.350 -0.001 0.000 0.280 13 T C -0.009 174.704 174.700 0.023 0.000 0.987 13 T CA -0.732 61.381 62.100 0.022 0.000 0.966 13 T CB 0.461 69.344 68.868 0.025 0.000 0.933 13 T HN 0.355 nan 8.240 nan 0.000 0.442 14 I N 3.481 124.068 120.570 0.028 0.000 2.466 14 I HA 0.413 4.583 4.170 -0.001 0.000 0.289 14 I C -0.293 175.844 176.117 0.034 0.000 1.026 14 I CA -1.176 60.142 61.300 0.030 0.000 1.078 14 I CB 2.009 40.030 38.000 0.035 0.000 1.249 14 I HN 0.567 nan 8.210 nan 0.000 0.429 15 I N 6.595 127.184 120.570 0.031 0.000 2.371 15 I HA 0.323 4.492 4.170 -0.001 0.000 0.290 15 I C -0.436 175.706 176.117 0.042 0.000 1.028 15 I CA -0.571 60.749 61.300 0.033 0.000 1.345 15 I CB 1.266 39.281 38.000 0.025 0.000 1.407 15 I HN 0.210 nan 8.210 nan 0.000 0.501 16 V N 5.365 125.307 119.914 0.048 0.000 2.540 16 V HA 0.354 4.474 4.120 -0.001 0.000 0.302 16 V C -0.636 175.488 176.094 0.051 0.000 1.035 16 V CA -0.820 61.521 62.300 0.069 0.000 0.873 16 V CB 2.117 33.988 31.823 0.079 0.000 0.992 16 V HN 0.584 nan 8.190 nan 0.000 0.428 17 D N 5.104 125.548 120.400 0.073 0.000 2.381 17 D HA 0.570 5.209 4.640 -0.001 0.000 0.235 17 D C -0.706 175.600 176.300 0.011 0.000 1.068 17 D CA -0.080 53.947 54.000 0.046 0.000 0.832 17 D CB 2.375 43.210 40.800 0.058 0.000 1.101 17 D HN 0.307 nan 8.370 nan 0.000 0.515 18 L N 3.696 124.864 121.223 -0.092 0.000 2.346 18 L HA 0.425 4.765 4.340 -0.001 0.000 0.276 18 L C -2.247 174.541 176.870 -0.137 0.000 1.006 18 L CA -1.976 52.704 54.840 -0.268 0.000 0.817 18 L CB 2.414 44.290 42.059 -0.305 0.000 1.272 18 L HN 0.053 nan 8.230 nan 0.000 0.421 19 P HA 0.142 nan 4.420 nan 0.000 0.275 19 P C -0.728 176.560 177.300 -0.020 0.000 1.228 19 P CA -0.178 62.912 63.100 -0.016 0.000 0.786 19 P CB 1.257 32.986 31.700 0.050 0.000 0.927 20 T N -0.425 114.137 114.554 0.013 0.000 2.927 20 T HA 0.654 5.004 4.350 -0.001 0.000 0.286 20 T C 0.907 175.634 174.700 0.044 0.000 1.040 20 T CA -1.002 61.114 62.100 0.026 0.000 1.010 20 T CB 0.654 69.539 68.868 0.027 0.000 1.177 20 T HN 0.416 nan 8.240 nan 0.000 0.546 34 Q N 1.564 121.361 119.800 -0.005 0.000 2.340 34 Q HA 0.607 4.946 4.340 -0.001 0.000 0.268 34 Q C -1.406 174.590 176.000 -0.006 0.000 1.031 34 Q CA -0.292 55.508 55.803 -0.005 0.000 0.804 34 Q CB 1.679 30.411 28.738 -0.010 0.000 1.286 34 Q HN 0.562 nan 8.270 nan 0.000 0.448 35 T N 4.818 119.376 114.554 0.006 0.000 2.795 35 T HA 0.613 4.962 4.350 -0.001 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 0.501 nan 8.240 nan 0.000 0.457 36 L N 2.337 123.572 121.223 0.021 0.000 2.333 36 L HA 0.760 5.099 4.340 -0.001 0.000 0.269 36 L C -0.660 176.232 176.870 0.037 0.000 1.010 36 L CA -1.392 53.466 54.840 0.029 0.000 0.818 36 L CB 1.932 44.004 42.059 0.021 0.000 1.306 36 L HN 0.282 nan 8.230 nan 0.000 0.430 37 V N 3.015 122.956 119.914 0.044 0.000 2.326 37 V HA 0.284 4.403 4.120 -0.001 0.000 0.281 37 V C -0.270 175.848 176.094 0.040 0.000 1.015 37 V CA -0.423 61.904 62.300 0.044 0.000 0.823 37 V CB 1.581 33.436 31.823 0.053 0.000 1.009 37 V HN 0.432 nan 8.190 nan 0.000 0.436 38 L N 6.763 128.008 121.223 0.036 0.000 2.326 38 L HA 0.579 4.919 4.340 -0.001 0.000 0.278 38 L C -0.487 176.400 176.870 0.028 0.000 1.092 38 L CA 0.351 55.210 54.840 0.032 0.000 0.810 38 L CB 0.840 42.921 42.059 0.036 0.000 1.153 38 L HN 0.381 nan 8.230 nan 0.000 0.439 39 I N 5.679 126.262 120.570 0.022 0.000 2.362 39 I HA 0.422 4.591 4.170 -0.001 0.000 0.289 39 I C -0.109 176.016 176.117 0.013 0.000 0.994 39 I CA -0.350 60.961 61.300 0.018 0.000 1.158 39 I CB 1.275 39.284 38.000 0.015 0.000 1.315 39 I HN 0.624 nan 8.210 nan 0.000 0.451 40 R N 6.272 126.780 120.500 0.013 0.000 2.320 40 R HA 0.546 4.885 4.340 -0.001 0.000 0.319 40 R C -0.792 175.513 176.300 0.008 0.000 0.969 40 R CA -0.687 55.420 56.100 0.011 0.000 0.857 40 R CB 2.127 32.435 30.300 0.014 0.000 1.160 40 R HN 0.490 nan 8.270 nan 0.000 0.491 41 L N 3.867 125.093 121.223 0.004 0.000 2.287 41 L HA 0.483 4.822 4.340 -0.001 0.000 0.287 41 L C -0.584 176.288 176.870 0.002 0.000 1.022 41 L CA -0.562 54.280 54.840 0.003 0.000 0.814 41 L CB 0.771 42.830 42.059 -0.000 0.000 1.217 41 L HN 0.486 nan 8.230 nan 0.000 0.420 42 R N 4.074 124.577 120.500 0.004 0.000 2.562 42 R HA 0.573 4.913 4.340 -0.001 0.000 0.298 42 R C -1.092 175.211 176.300 0.006 0.000 0.961 42 R CA -0.702 55.400 56.100 0.005 0.000 0.881 42 R CB 1.746 32.050 30.300 0.007 0.000 1.159 42 R HN 0.608 nan 8.270 nan 0.000 0.450 43 C N 0.762 120.065 119.300 0.006 0.000 2.401 43 C HA 0.428 4.887 4.460 -0.001 0.000 0.356 43 C C 2.009 177.008 174.990 0.015 0.000 1.192 43 C CA -0.535 58.488 59.018 0.008 0.000 2.028 43 C CB 1.311 29.055 27.740 0.006 0.000 2.344 43 C HN 1.002 nan 8.230 nan 0.000 0.525 44 A N 1.140 123.972 122.820 0.020 0.000 2.076 44 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 44 A C 1.632 179.242 177.584 0.044 0.000 1.160 44 A CA 2.208 54.267 52.037 0.038 0.000 0.653 44 A CB -0.459 18.568 19.000 0.045 0.000 0.801 44 A HN 0.972 nan 8.150 nan 0.000 0.455 45 D N -2.149 118.270 120.400 0.032 0.000 2.325 45 D HA 0.259 4.899 4.640 -0.001 0.000 0.225 45 D C 1.152 177.463 176.300 0.018 0.000 1.096 45 D CA 0.858 54.876 54.000 0.029 0.000 0.844 45 D CB -0.493 40.322 40.800 0.025 0.000 0.925 45 D HN 0.694 nan 8.370 nan 0.000 0.513 46 G N 0.785 109.595 108.800 0.016 0.000 2.225 46 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.254 46 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.254 46 G C 0.333 175.237 174.900 0.007 0.000 0.988 46 G CA 0.159 45.265 45.100 0.011 0.000 0.625 46 G HN 0.452 nan 8.290 nan 0.000 0.527 47 I N 1.555 122.129 120.570 0.006 0.000 2.556 47 I HA 0.299 4.469 4.170 -0.001 0.000 0.284 47 I C 0.628 176.745 176.117 0.001 0.000 1.114 47 I CA 0.174 61.475 61.300 0.002 0.000 1.418 47 I CB 1.097 39.097 38.000 -0.000 0.000 1.394 47 I HN 0.296 nan 8.210 nan 0.000 0.552 48 E N 4.934 125.134 120.200 -0.001 0.000 2.183 48 E HA 0.578 4.928 4.350 -0.001 0.000 0.271 48 E C -0.607 175.989 176.600 -0.007 0.000 0.919 48 E CA -0.709 55.690 56.400 -0.002 0.000 0.781 48 E CB 1.820 31.521 29.700 0.002 0.000 1.140 48 E HN 0.735 nan 8.360 nan 0.000 0.402 49 G N 3.958 112.753 108.800 -0.009 0.000 2.416 49 G HA2 0.551 4.511 3.960 -0.001 0.000 0.329 49 G HA3 0.551 4.511 3.960 -0.001 0.000 0.329 49 G C -0.942 173.950 174.900 -0.013 0.000 1.173 49 G CA -0.616 44.474 45.100 -0.017 0.000 0.929 49 G HN 0.458 nan 8.290 nan 0.000 0.475 50 L N 1.397 122.609 121.223 -0.019 0.000 2.329 50 L HA 0.805 5.144 4.340 -0.001 0.000 0.279 50 L C 0.654 177.512 176.870 -0.020 0.000 1.014 50 L CA -0.742 54.091 54.840 -0.012 0.000 0.814 50 L CB 2.198 44.252 42.059 -0.007 0.000 1.257 50 L HN 0.687 nan 8.230 nan 0.000 0.424 51 G N 1.157 109.950 108.800 -0.011 0.000 2.680 51 G HA2 0.622 4.581 3.960 -0.001 0.000 0.290 51 G HA3 0.622 4.581 3.960 -0.001 0.000 0.290 51 G C -1.942 172.956 174.900 -0.003 0.000 1.355 51 G CA -0.269 44.822 45.100 -0.015 0.000 0.903 51 G HN 0.540 nan 8.290 nan 0.000 0.474 52 E N -0.370 119.826 120.200 -0.007 0.000 2.290 52 E HA 0.535 4.884 4.350 -0.001 0.000 0.274 52 E C -1.364 175.246 176.600 0.016 0.000 0.889 52 E CA -0.583 55.822 56.400 0.008 0.000 0.760 52 E CB 1.775 31.476 29.700 0.002 0.000 1.206 52 E HN 0.265 nan 8.360 nan 0.000 0.419 53 S N 2.633 118.363 115.700 0.050 0.000 2.667 53 S HA 0.431 4.901 4.470 -0.001 0.000 0.304 53 S C -0.951 173.731 174.600 0.137 0.000 1.135 53 S CA -0.463 57.798 58.200 0.103 0.000 1.125 53 S CB 1.588 64.861 63.200 0.122 0.000 0.996 53 S HN 0.442 nan 8.310 nan 0.000 0.474 54 T N 2.112 116.765 114.554 0.165 0.000 2.900 54 T HA 0.709 5.058 4.350 -0.001 0.000 0.295 54 T C -0.079 174.788 174.700 0.278 0.000 1.044 54 T CA -0.492 61.701 62.100 0.155 0.000 0.995 54 T CB 2.152 71.063 68.868 0.070 0.000 1.072 54 T HN 0.473 nan 8.240 nan 0.000 0.473 55 T N 1.046 115.712 114.554 0.188 0.000 2.669 55 T HA 0.796 5.146 4.350 -0.001 0.000 0.283 55 T C -1.439 173.301 174.700 0.068 0.000 1.019 55 T CA -0.653 61.565 62.100 0.196 0.000 1.039 55 T CB 0.787 69.627 68.868 -0.047 0.000 1.374 55 T HN 0.471 nan 8.240 nan 0.000 0.523 56 I N 0.984 121.580 120.570 0.043 0.000 2.509 56 I HA 0.521 4.691 4.170 -0.001 0.000 0.293 56 I C 1.022 177.242 176.117 0.172 0.000 1.020 56 I CA -0.667 60.627 61.300 -0.011 0.000 1.088 56 I CB 1.761 39.555 38.000 -0.342 0.000 1.267 56 I HN 0.961 nan 8.210 nan 0.000 0.430 57 G N 4.459 113.342 108.800 0.139 0.000 2.393 57 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.299 57 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.299 57 G C 0.905 175.864 174.900 0.098 0.000 0.990 57 G CA 0.755 45.954 45.100 0.164 0.000 1.118 57 G HN 1.513 nan 8.290 nan 0.000 0.513 58 G N -0.547 108.280 108.800 0.046 0.000 2.846 58 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.317 58 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.317 58 G C 0.944 175.830 174.900 -0.023 0.000 1.210 58 G CA 0.836 45.939 45.100 0.004 0.000 0.972 58 G HN 1.397 nan 8.290 nan 0.000 0.567 59 L N 1.595 122.798 121.223 -0.034 0.000 2.959 59 L HA 0.534 4.874 4.340 -0.001 0.000 0.259 59 L C 2.595 179.414 176.870 -0.085 0.000 1.185 59 L CA 0.743 55.544 54.840 -0.065 0.000 0.998 59 L CB 0.531 42.551 42.059 -0.065 0.000 1.337 59 L HN 0.626 nan 8.230 nan 0.000 0.555 60 A N -0.648 122.117 122.820 -0.092 0.000 2.119 60 A HA -0.061 4.259 4.320 -0.001 0.000 0.216 60 A C 1.308 178.620 177.584 -0.454 0.000 1.152 60 A CA 1.248 53.128 52.037 -0.261 0.000 0.708 60 A CB -0.248 18.569 19.000 -0.305 0.000 0.805 60 A HN 0.461 nan 8.150 nan 0.000 0.460 61 Y N -1.261 119.008 120.300 -0.051 0.000 2.588 61 Y HA 0.461 5.010 4.550 -0.001 0.000 0.247 61 Y C 0.977 176.848 175.900 -0.049 0.000 1.157 61 Y CA 0.078 58.158 58.100 -0.033 0.000 1.215 61 Y CB 0.877 39.333 38.460 -0.006 0.000 1.245 61 Y HN 0.339 nan 8.280 nan 0.000 0.534 62 G N -0.053 108.738 108.800 -0.015 0.000 2.387 62 G HA2 0.098 4.057 3.960 -0.001 0.000 0.294 62 G HA3 0.098 4.057 3.960 -0.001 0.000 0.294 62 G C -0.578 174.230 174.900 -0.153 0.000 1.509 62 G CA -0.749 44.289 45.100 -0.103 0.000 0.806 62 G HN 0.055 nan 8.290 nan 0.000 0.546 63 N N -0.781 117.836 118.700 -0.138 0.000 2.515 63 N HA 0.035 4.775 4.740 -0.001 0.000 0.185 63 N C 0.264 175.687 175.510 -0.146 0.000 1.109 63 N CA 0.628 53.610 53.050 -0.113 0.000 0.903 63 N CB 0.414 38.861 38.487 -0.067 0.000 0.969 63 N HN 0.636 nan 8.380 nan 0.000 0.450 64 E N 0.242 120.286 120.200 -0.260 0.000 2.151 64 E HA 0.329 4.679 4.350 -0.001 0.000 0.275 64 E C -0.592 175.848 176.600 -0.266 0.000 0.936 64 E CA -0.740 55.508 56.400 -0.252 0.000 0.777 64 E CB 1.366 30.881 29.700 -0.308 0.000 1.108 64 E HN 0.351 nan 8.360 nan 0.000 0.401 65 S N 2.152 117.767 115.700 -0.142 0.000 2.681 65 S HA 0.407 4.876 4.470 -0.001 0.000 0.299 65 S C -1.807 172.755 174.600 -0.062 0.000 1.113 65 S CA -1.387 56.753 58.200 -0.100 0.000 1.013 65 S CB 1.640 64.806 63.200 -0.057 0.000 1.076 65 S HN 0.265 nan 8.310 nan 0.000 0.534 66 P HA -0.110 nan 4.420 nan 0.000 0.218 66 P C 0.261 177.563 177.300 0.004 0.000 1.148 66 P CA 1.442 64.542 63.100 -0.001 0.000 0.822 66 P CB -0.234 31.472 31.700 0.011 0.000 0.784 67 D N 0.406 120.804 120.400 -0.002 0.000 2.097 67 D HA -0.136 4.503 4.640 -0.001 0.000 0.195 67 D C 2.280 178.585 176.300 0.008 0.000 0.989 67 D CA 1.998 56.000 54.000 0.003 0.000 0.827 67 D CB -0.627 40.172 40.800 -0.001 0.000 0.966 67 D HN 0.253 nan 8.370 nan 0.000 0.456 68 S N -0.104 115.596 115.700 -0.001 0.000 2.461 68 S HA -0.027 4.442 4.470 -0.001 0.000 0.228 68 S C 2.013 176.628 174.600 0.025 0.000 1.005 68 S CA 0.183 58.389 58.200 0.010 0.000 0.942 68 S CB -0.452 62.744 63.200 -0.007 0.000 0.776 68 S HN 0.217 nan 8.310 nan 0.000 0.514 69 I N 1.838 122.418 120.570 0.017 0.000 2.202 69 I HA -0.154 4.015 4.170 -0.001 0.000 0.242 69 I C 2.764 178.911 176.117 0.051 0.000 1.091 69 I CA 1.593 62.917 61.300 0.041 0.000 1.368 69 I CB -0.248 37.781 38.000 0.048 0.000 1.058 69 I HN 0.338 nan 8.210 nan 0.000 0.410 70 K N 0.502 120.925 120.400 0.039 0.000 2.057 70 K HA -0.173 4.147 4.320 -0.001 0.000 0.207 70 K C 2.046 178.669 176.600 0.039 0.000 1.049 70 K CA 1.896 58.205 56.287 0.036 0.000 0.931 70 K CB -0.086 32.430 32.500 0.025 0.000 0.714 70 K HN 0.189 nan 8.250 nan 0.000 0.440 71 T N 0.895 115.474 114.554 0.043 0.000 2.652 71 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 71 T C 1.495 176.253 174.700 0.096 0.000 1.039 71 T CA 1.924 64.055 62.100 0.053 0.000 1.153 71 T CB -0.416 68.487 68.868 0.058 0.000 0.863 71 T HN 0.437 nan 8.240 nan 0.000 0.428 72 N N 0.270 119.053 118.700 0.139 0.000 2.244 72 N HA 0.051 4.791 4.740 -0.001 0.000 0.183 72 N C 1.863 177.495 175.510 0.204 0.000 1.016 72 N CA 0.670 53.867 53.050 0.246 0.000 0.866 72 N CB -0.149 38.441 38.487 0.171 0.000 0.980 72 N HN 0.322 nan 8.380 nan 0.000 0.430 73 I N 1.100 121.738 120.570 0.113 0.000 2.163 73 I HA -0.226 3.944 4.170 -0.001 0.000 0.240 73 I C 1.582 177.730 176.117 0.050 0.000 1.081 73 I CA 1.055 62.406 61.300 0.084 0.000 1.353 73 I CB -0.214 37.822 38.000 0.059 0.000 1.054 73 I HN 0.079 nan 8.210 nan 0.000 0.407 74 D N 0.512 120.926 120.400 0.023 0.000 2.104 74 D HA -0.216 4.423 4.640 -0.001 0.000 0.194 74 D C 2.241 178.492 176.300 -0.082 0.000 0.994 74 D CA 1.317 55.306 54.000 -0.020 0.000 0.830 74 D CB -0.214 40.572 40.800 -0.022 0.000 0.959 74 D HN 0.123 nan 8.370 nan 0.000 0.452 75 R N -1.025 119.393 120.500 -0.137 0.000 2.127 75 R HA 0.044 4.383 4.340 -0.001 0.000 0.217 75 R C 1.447 177.341 176.300 -0.677 0.000 1.074 75 R CA 1.008 56.851 56.100 -0.428 0.000 0.991 75 R CB -0.056 29.915 30.300 -0.550 0.000 0.895 75 R HN 0.145 nan 8.270 nan 0.000 0.450 76 F N -2.642 117.311 119.950 0.005 0.000 2.581 76 F HA 0.216 4.743 4.527 -0.001 0.000 0.278 76 F C 1.796 177.600 175.800 0.006 0.000 1.000 76 F CA -0.050 57.953 58.000 0.005 0.000 1.230 76 F CB -0.058 38.946 39.000 0.006 0.000 1.008 76 F HN -0.264 nan 8.300 nan 0.000 0.695 77 V N 0.426 120.448 119.914 0.179 0.000 2.283 77 V HA -0.207 3.913 4.120 -0.001 0.000 0.243 77 V C 2.609 178.738 176.094 0.058 0.000 1.039 77 V CA 1.931 64.294 62.300 0.105 0.000 1.016 77 V CB -1.213 30.662 31.823 0.086 0.000 0.650 77 V HN 0.303 nan 8.190 nan 0.000 0.449 78 A N 0.741 123.582 122.820 0.035 0.000 1.873 78 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 78 A C 0.565 178.152 177.584 0.006 0.000 1.193 78 A CA 2.425 54.470 52.037 0.013 0.000 0.629 78 A CB -2.074 16.925 19.000 -0.003 0.000 0.826 78 A HN 0.532 nan 8.150 nan 0.000 0.447 79 P HA -0.118 nan 4.420 nan 0.000 0.218 79 P C 1.360 178.667 177.300 0.012 0.000 1.148 79 P CA 0.844 63.940 63.100 -0.008 0.000 0.822 79 P CB -0.089 31.593 31.700 -0.030 0.000 0.784 80 L N -1.957 119.284 121.223 0.031 0.000 2.240 80 L HA -0.054 4.285 4.340 -0.001 0.000 0.211 80 L C 2.130 179.013 176.870 0.022 0.000 1.106 80 L CA 1.050 55.910 54.840 0.034 0.000 0.793 80 L CB -0.396 41.694 42.059 0.051 0.000 0.927 80 L HN -0.004 nan 8.230 nan 0.000 0.446 81 L N -1.003 120.231 121.223 0.019 0.000 2.408 81 L HA 0.103 4.442 4.340 -0.001 0.000 0.215 81 L C 0.686 177.559 176.870 0.006 0.000 1.081 81 L CA -0.365 54.482 54.840 0.012 0.000 0.840 81 L CB 0.282 42.350 42.059 0.014 0.000 1.002 81 L HN 0.037 nan 8.230 nan 0.000 0.468 82 I N 1.705 122.278 120.570 0.004 0.000 2.742 82 I HA 0.001 4.170 4.170 -0.001 0.000 0.287 82 I C 1.453 177.569 176.117 -0.002 0.000 1.186 82 I CA 1.342 62.642 61.300 -0.000 0.000 1.417 82 I CB -0.352 37.647 38.000 -0.003 0.000 1.377 82 I HN 0.437 nan 8.210 nan 0.000 0.556 83 G N 5.199 113.997 108.800 -0.005 0.000 2.234 83 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.235 83 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.235 83 G C 0.378 175.272 174.900 -0.010 0.000 0.997 83 G CA -0.458 44.636 45.100 -0.009 0.000 0.623 83 G HN 0.524 nan 8.290 nan 0.000 0.514 84 Q N 0.878 120.674 119.800 -0.006 0.000 2.306 84 Q HA 0.406 4.745 4.340 -0.001 0.000 0.241 84 Q C -0.344 175.652 176.000 -0.007 0.000 0.948 84 Q CA -0.405 55.394 55.803 -0.006 0.000 0.886 84 Q CB 1.102 29.840 28.738 -0.001 0.000 1.227 84 Q HN 0.372 nan 8.270 nan 0.000 0.457 85 D N 0.309 120.704 120.400 -0.008 0.000 2.346 85 D HA 0.146 4.786 4.640 -0.001 0.000 0.260 85 D C 0.493 176.789 176.300 -0.006 0.000 1.252 85 D CA 0.088 54.083 54.000 -0.009 0.000 0.895 85 D CB 0.711 41.506 40.800 -0.009 0.000 1.097 85 D HN 0.536 nan 8.370 nan 0.000 0.489 86 A N 3.139 125.956 122.820 -0.005 0.000 2.121 86 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 86 A C 2.030 179.610 177.584 -0.007 0.000 1.154 86 A CA 1.384 53.418 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 -0.498 115.198 115.700 -0.006 0.000 2.522 87 S HA 0.000 4.470 4.470 -0.001 0.000 0.227 87 S C 0.712 175.308 174.600 -0.006 0.000 0.986 87 S CA 0.416 58.612 58.200 -0.006 0.000 0.929 87 S CB -0.264 62.933 63.200 -0.005 0.000 0.769 87 S HN 0.433 nan 8.310 nan 0.000 0.529 88 N N 1.217 119.914 118.700 -0.005 0.000 2.816 88 N HA 0.373 5.113 4.740 -0.001 0.000 0.236 88 N C 0.420 175.927 175.510 -0.005 0.000 1.076 88 N CA -0.361 52.687 53.050 -0.005 0.000 0.902 88 N CB 0.264 38.749 38.487 -0.004 0.000 1.149 88 N HN 0.320 nan 8.380 nan 0.000 0.506 89 I N 1.366 121.932 120.570 -0.006 0.000 2.315 89 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 89 I C 2.027 178.141 176.117 -0.004 0.000 1.117 89 I CA 0.566 61.862 61.300 -0.006 0.000 1.404 89 I CB -0.080 37.914 38.000 -0.010 0.000 1.071 89 I HN 0.410 nan 8.210 nan 0.000 0.419 90 N N 1.582 120.280 118.700 -0.003 0.000 2.084 90 N HA -0.173 4.567 4.740 -0.001 0.000 0.190 90 N C 1.840 177.349 175.510 -0.001 0.000 1.030 90 N CA 1.929 54.979 53.050 -0.001 0.000 0.849 90 N CB -0.115 38.372 38.487 -0.001 0.000 1.012 90 N HN 0.313 nan 8.380 nan 0.000 0.423 91 A N 0.221 123.040 122.820 -0.001 0.000 1.902 91 A HA 0.083 4.403 4.320 -0.001 0.000 0.217 91 A C 2.361 179.946 177.584 0.001 0.000 1.181 91 A CA 1.928 53.965 52.037 -0.000 0.000 0.623 91 A CB -1.249 17.750 19.000 -0.001 0.000 0.818 91 A HN 0.451 nan 8.150 nan 0.000 0.443 92 A N -0.845 121.976 122.820 0.001 0.000 1.902 92 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 92 A C 2.141 179.728 177.584 0.006 0.000 1.181 92 A CA 2.017 54.056 52.037 0.003 0.000 0.623 92 A CB -0.458 18.543 19.000 0.002 0.000 0.818 92 A HN 0.422 nan 8.150 nan 0.000 0.443 93 M N -0.565 119.037 119.600 0.003 0.000 2.254 93 M HA 0.066 4.545 4.480 -0.001 0.000 0.265 93 M C 2.015 178.318 176.300 0.006 0.000 1.066 93 M CA 1.001 56.304 55.300 0.005 0.000 1.123 93 M CB -1.277 31.323 32.600 0.001 0.000 1.388 93 M HN 0.369 nan 8.290 nan 0.000 0.425 94 L N -0.858 120.368 121.223 0.004 0.000 2.156 94 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 94 L C 2.694 179.568 176.870 0.006 0.000 1.095 94 L CA 0.736 55.578 54.840 0.004 0.000 0.770 94 L CB -0.523 41.537 42.059 0.002 0.000 0.914 94 L HN 0.287 nan 8.230 nan 0.000 0.439 95 R N 0.129 120.634 120.500 0.007 0.000 2.096 95 R HA -0.183 4.156 4.340 -0.001 0.000 0.235 95 R C 2.222 178.531 176.300 0.015 0.000 1.127 95 R CA 1.291 57.397 56.100 0.011 0.000 0.968 95 R CB -0.041 30.266 30.300 0.011 0.000 0.861 95 R HN 0.169 nan 8.270 nan 0.000 0.440 96 L N 1.013 122.246 121.223 0.016 0.000 2.056 96 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 96 L C 2.221 179.099 176.870 0.014 0.000 1.078 96 L CA 1.736 56.589 54.840 0.021 0.000 0.749 96 L CB -0.709 41.364 42.059 0.022 0.000 0.901 96 L HN 0.153 nan 8.230 nan 0.000 0.433 97 E N -0.661 119.545 120.200 0.009 0.000 2.204 97 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 97 E C 2.176 178.777 176.600 0.001 0.000 0.990 97 E CA 1.038 57.440 56.400 0.004 0.000 0.821 97 E CB -0.010 29.692 29.700 0.004 0.000 0.750 97 E HN 0.503 nan 8.360 nan 0.000 0.477 98 Q N -1.122 118.680 119.800 0.003 0.000 2.167 98 Q HA 0.007 4.347 4.340 -0.001 0.000 0.202 98 Q C 1.423 177.422 176.000 -0.000 0.000 0.970 98 Q CA 1.440 57.244 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 0.119 nan 8.270 nan 0.000 0.438 99 S N -0.581 115.121 115.700 0.003 0.000 2.578 99 S HA 0.277 4.747 4.470 -0.001 0.000 0.228 99 S C 0.281 174.866 174.600 -0.026 0.000 1.022 99 S CA -0.143 58.056 58.200 -0.001 0.000 0.967 99 S CB 0.905 64.120 63.200 0.024 0.000 0.914 99 S HN 0.125 nan 8.310 nan 0.000 0.515 100 I N 2.752 123.309 120.570 -0.022 0.000 2.439 100 I HA 0.409 4.579 4.170 -0.001 0.000 0.285 100 I C -0.554 175.541 176.117 -0.036 0.000 1.021 100 I CA -0.739 60.535 61.300 -0.044 0.000 1.091 100 I CB 1.314 39.304 38.000 -0.016 0.000 1.242 100 I HN -0.149 nan 8.210 nan 0.000 0.439 101 R N 4.038 124.505 120.500 -0.055 0.000 2.357 101 R HA 0.573 4.913 4.340 -0.001 0.000 0.296 101 R C 0.713 176.998 176.300 -0.026 0.000 1.052 101 R CA 0.207 56.285 56.100 -0.036 0.000 0.988 101 R CB 1.192 31.466 30.300 -0.044 0.000 1.025 101 R HN 0.918 nan 8.270 nan 0.000 0.469 102 G N 2.949 111.746 108.800 -0.004 0.000 2.596 102 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.295 102 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.295 102 G C -0.116 174.803 174.900 0.031 0.000 1.240 102 G CA 0.359 45.468 45.100 0.016 0.000 0.985 102 G HN 0.814 nan 8.290 nan 0.000 0.555 103 N N -0.089 118.640 118.700 0.048 0.000 2.727 103 N HA -0.252 4.488 4.740 -0.001 0.000 0.249 103 N C 1.563 177.141 175.510 0.114 0.000 1.048 103 N CA 1.971 55.065 53.050 0.074 0.000 0.714 103 N CB -1.325 37.186 38.487 0.041 0.000 0.959 103 N HN 1.513 nan 8.380 nan 0.000 0.544 104 T N -3.530 111.114 114.554 0.150 0.000 2.867 104 T HA -0.091 4.259 4.350 -0.001 0.000 0.268 104 T C 1.579 176.351 174.700 0.121 0.000 1.057 104 T CA 0.899 63.067 62.100 0.112 0.000 1.136 104 T CB -0.407 68.508 68.868 0.079 0.000 0.874 104 T HN 0.318 nan 8.240 nan 0.000 0.466 105 F N 2.135 122.087 119.950 0.003 0.000 2.134 105 F HA 0.083 4.609 4.527 -0.001 0.000 0.299 105 F C 3.051 178.853 175.800 0.004 0.000 1.097 105 F CA 0.937 58.939 58.000 0.003 0.000 1.264 105 F CB -0.568 38.436 39.000 0.006 0.000 1.001 105 F HN 0.257 nan 8.300 nan 0.000 0.479 106 A N 0.110 123.055 122.820 0.208 0.000 1.877 106 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 106 A C 2.117 179.744 177.584 0.072 0.000 1.186 106 A CA 1.673 53.781 52.037 0.118 0.000 0.620 106 A CB -0.605 18.454 19.000 0.100 0.000 0.822 106 A HN 0.310 nan 8.150 nan 0.000 0.443 107 K N -0.342 120.095 120.400 0.061 0.000 2.097 107 K HA -0.119 4.200 4.320 -0.001 0.000 0.206 107 K C 2.425 179.028 176.600 0.006 0.000 1.049 107 K CA 1.366 57.672 56.287 0.031 0.000 0.933 107 K CB -0.218 32.297 32.500 0.025 0.000 0.717 107 K HN 0.454 nan 8.250 nan 0.000 0.442 108 S N 0.234 115.928 115.700 -0.011 0.000 2.368 108 S HA -0.116 4.354 4.470 -0.001 0.000 0.225 108 S C 2.099 176.677 174.600 -0.036 0.000 1.030 108 S CA 1.540 59.710 58.200 -0.050 0.000 0.999 108 S CB -0.486 62.645 63.200 -0.116 0.000 0.844 108 S HN 0.481 nan 8.310 nan 0.000 0.459 109 G N 1.782 110.577 108.800 -0.008 0.000 2.418 109 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.217 109 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.217 109 G C 1.413 176.311 174.900 -0.003 0.000 1.158 109 G CA 0.835 45.934 45.100 -0.001 0.000 0.771 109 G HN 0.493 nan 8.290 nan 0.000 0.545 110 I N 0.987 121.561 120.570 0.006 0.000 2.179 110 I HA -0.118 4.052 4.170 -0.001 0.000 0.242 110 I C 2.512 178.624 176.117 -0.008 0.000 1.088 110 I CA 1.345 62.648 61.300 0.005 0.000 1.357 110 I CB -0.986 37.023 38.000 0.015 0.000 1.051 110 I HN 0.353 nan 8.210 nan 0.000 0.409 111 E N 0.696 120.887 120.200 -0.014 0.000 2.110 111 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 111 E C 2.284 178.862 176.600 -0.037 0.000 0.988 111 E CA 1.360 57.746 56.400 -0.023 0.000 0.804 111 E CB 0.234 29.918 29.700 -0.026 0.000 0.745 111 E HN 0.339 nan 8.360 nan 0.000 0.458 112 S N 0.457 116.130 115.700 -0.044 0.000 2.370 112 S HA -0.189 4.280 4.470 -0.001 0.000 0.226 112 S C 2.039 176.608 174.600 -0.053 0.000 1.033 112 S CA 1.059 59.224 58.200 -0.059 0.000 1.011 112 S CB -0.262 62.902 63.200 -0.061 0.000 0.852 112 S HN 0.472 nan 8.310 nan 0.000 0.457 113 A N 1.389 124.188 122.820 -0.035 0.000 1.902 113 A HA -0.013 4.306 4.320 -0.001 0.000 0.217 113 A C 2.136 179.702 177.584 -0.030 0.000 1.181 113 A CA 1.177 53.197 52.037 -0.028 0.000 0.623 113 A CB -0.746 18.245 19.000 -0.014 0.000 0.818 113 A HN 0.448 nan 8.150 nan 0.000 0.443 114 L N -0.788 120.420 121.223 -0.026 0.000 2.083 114 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 114 L C 2.563 179.412 176.870 -0.034 0.000 1.083 114 L CA 1.001 55.826 54.840 -0.024 0.000 0.752 114 L CB -0.462 41.586 42.059 -0.018 0.000 0.899 114 L HN 0.380 nan 8.230 nan 0.000 0.433 115 L N -0.541 120.654 121.223 -0.046 0.000 2.056 115 L HA -0.227 4.112 4.340 -0.001 0.000 0.207 115 L C 2.258 179.081 176.870 -0.078 0.000 1.078 115 L CA 1.254 56.057 54.840 -0.061 0.000 0.749 115 L CB -0.484 41.530 42.059 -0.076 0.000 0.901 115 L HN 0.279 nan 8.230 nan 0.000 0.433 116 D N 0.086 120.436 120.400 -0.084 0.000 2.097 116 D HA -0.193 4.446 4.640 -0.001 0.000 0.195 116 D C 2.146 178.411 176.300 -0.060 0.000 0.989 116 D CA 1.514 55.460 54.000 -0.089 0.000 0.827 116 D CB 0.128 40.882 40.800 -0.076 0.000 0.966 116 D HN 0.240 nan 8.370 nan 0.000 0.456 117 A N -0.146 122.649 122.820 -0.042 0.000 1.902 117 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 117 A C 2.208 179.776 177.584 -0.026 0.000 1.181 117 A CA 1.962 53.983 52.037 -0.028 0.000 0.623 117 A CB -0.906 18.082 19.000 -0.019 0.000 0.818 117 A HN 0.308 nan 8.150 nan 0.000 0.443 118 Q N 0.011 119.794 119.800 -0.029 0.000 2.167 118 Q HA -0.008 4.332 4.340 -0.001 0.000 0.202 118 Q C 1.878 177.862 176.000 -0.026 0.000 0.970 118 Q CA 1.911 57.700 55.803 -0.023 0.000 0.855 118 Q CB -0.954 27.770 28.738 -0.022 0.000 0.911 118 Q HN 0.507 nan 8.270 nan 0.000 0.438 119 G N 0.332 109.108 108.800 -0.040 0.000 2.402 119 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.216 119 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.216 119 G C 1.304 176.186 174.900 -0.029 0.000 1.162 119 G CA 0.794 45.869 45.100 -0.042 0.000 0.777 119 G HN 0.365 nan 8.290 nan 0.000 0.539 120 K N -0.085 120.297 120.400 -0.030 0.000 2.057 120 K HA -0.039 4.281 4.320 -0.001 0.000 0.207 120 K C 2.542 179.135 176.600 -0.012 0.000 1.049 120 K CA 0.977 57.252 56.287 -0.019 0.000 0.931 120 K CB -0.152 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 1.145 121.638 120.500 -0.012 0.000 2.096 121 R HA -0.095 4.245 4.340 -0.001 0.000 0.235 121 R C 1.743 178.040 176.300 -0.005 0.000 1.127 121 R CA 1.237 57.333 56.100 -0.007 0.000 0.968 121 R CB -0.024 30.273 30.300 -0.006 0.000 0.861 121 R HN 0.160 nan 8.270 nan 0.000 0.440 122 L N -0.755 120.464 121.223 -0.007 0.000 2.585 122 L HA 0.279 4.619 4.340 -0.001 0.000 0.226 122 L C 0.910 177.779 176.870 -0.002 0.000 1.113 122 L CA 0.346 55.184 54.840 -0.004 0.000 0.876 122 L CB 0.575 42.632 42.059 -0.004 0.000 1.072 122 L HN 0.539 nan 8.230 nan 0.000 0.468 123 G N 1.422 110.219 108.800 -0.004 0.000 2.225 123 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.264 123 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.264 123 G C -0.206 174.695 174.900 0.002 0.000 1.060 123 G CA 0.097 45.196 45.100 -0.001 0.000 0.833 123 G HN 0.250 nan 8.290 nan 0.000 0.498 124 L N 0.051 121.273 121.223 -0.001 0.000 2.388 124 L HA 0.607 4.946 4.340 -0.001 0.000 0.264 124 L C -2.018 174.855 176.870 0.005 0.000 0.998 124 L CA -2.694 52.150 54.840 0.007 0.000 0.817 124 L CB 2.651 44.714 42.059 0.007 0.000 1.338 124 L HN -0.099 nan 8.230 nan 0.000 0.414 125 P HA 0.060 nan 4.420 nan 0.000 0.274 125 P C 0.833 178.148 177.300 0.025 0.000 1.237 125 P CA -0.338 62.797 63.100 0.057 0.000 0.793 125 P CB 1.473 33.282 31.700 0.181 0.000 0.977 126 V N 1.707 121.544 119.914 -0.128 0.000 2.392 126 V HA -0.260 3.859 4.120 -0.001 0.000 0.249 126 V C 2.743 178.888 176.094 0.086 0.000 1.059 126 V CA 2.872 65.105 62.300 -0.112 0.000 1.051 126 V CB -1.683 29.934 31.823 -0.343 0.000 0.658 126 V HN 0.734 nan 8.190 nan 0.000 0.455 127 S N -0.184 115.723 115.700 0.344 0.000 2.400 127 S HA -0.309 4.161 4.470 -0.001 0.000 0.232 127 S C 1.914 176.567 174.600 0.090 0.000 1.025 127 S CA 1.919 60.233 58.200 0.190 0.000 0.993 127 S CB -0.439 62.832 63.200 0.118 0.000 0.808 127 S HN 0.772 nan 8.310 nan 0.000 0.478 128 E N 1.051 121.298 120.200 0.079 0.000 2.112 128 E HA 0.021 4.371 4.350 -0.001 0.000 0.190 128 E C 2.023 178.640 176.600 0.028 0.000 0.979 128 E CA 0.656 57.081 56.400 0.043 0.000 0.814 128 E CB -0.182 29.540 29.700 0.035 0.000 0.762 128 E HN 0.588 nan 8.360 nan 0.000 0.460 129 L N 0.703 121.939 121.223 0.022 0.000 2.131 129 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 129 L C 2.170 179.047 176.870 0.011 0.000 1.092 129 L CA 0.793 55.638 54.840 0.007 0.000 0.759 129 L CB -0.244 41.810 42.059 -0.008 0.000 0.903 129 L HN 0.245 nan 8.230 nan 0.000 0.435 130 L N -0.689 120.546 121.223 0.020 0.000 2.627 130 L HA 0.115 4.454 4.340 -0.001 0.000 0.233 130 L C 1.459 178.344 176.870 0.025 0.000 1.144 130 L CA 0.631 55.484 54.840 0.021 0.000 0.892 130 L CB -0.243 41.832 42.059 0.027 0.000 1.039 130 L HN 0.497 nan 8.230 nan 0.000 0.442 131 G N -0.836 107.979 108.800 0.024 0.000 2.428 131 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.199 131 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.199 131 G C 0.484 175.398 174.900 0.023 0.000 1.005 131 G CA -0.353 44.761 45.100 0.022 0.000 0.671 131 G HN 0.737 nan 8.290 nan 0.000 0.485 132 G N -0.177 108.640 108.800 0.027 0.000 2.931 132 G HA2 0.509 4.468 3.960 -0.001 0.000 0.675 132 G HA3 0.509 4.468 3.960 -0.001 0.000 0.675 132 G C -0.271 174.643 174.900 0.023 0.000 1.339 132 G CA 0.388 45.502 45.100 0.024 0.000 0.866 132 G HN 1.453 nan 8.290 nan 0.000 0.616 133 R N 0.089 120.599 120.500 0.017 0.000 2.582 133 R HA 0.660 5.000 4.340 -0.001 0.000 0.271 133 R C 0.993 177.297 176.300 0.007 0.000 1.078 133 R CA -0.092 56.013 56.100 0.007 0.000 1.127 133 R CB 1.221 31.513 30.300 -0.013 0.000 1.038 133 R HN 1.317 nan 8.270 nan 0.000 0.500 134 V N -2.006 117.913 119.914 0.008 0.000 3.432 134 V HA 0.297 4.417 4.120 -0.001 0.000 0.298 134 V C 0.082 176.177 176.094 0.002 0.000 1.464 134 V CA -0.148 62.156 62.300 0.007 0.000 1.046 134 V CB -1.042 30.787 31.823 0.011 0.000 0.887 134 V HN 0.941 nan 8.190 nan 0.000 0.441 135 R N -1.557 118.941 120.500 -0.003 0.000 2.716 135 R HA 0.532 4.872 4.340 -0.001 0.000 0.271 135 R C -1.150 175.136 176.300 -0.024 0.000 1.028 135 R CA -0.426 55.669 56.100 -0.009 0.000 0.883 135 R CB 1.131 31.431 30.300 0.000 0.000 1.250 135 R HN -0.038 nan 8.270 nan 0.000 0.465 136 D N -0.248 120.134 120.400 -0.029 0.000 2.449 136 D HA 0.240 4.879 4.640 -0.001 0.000 0.210 136 D C -0.216 176.046 176.300 -0.065 0.000 1.094 136 D CA 0.415 54.391 54.000 -0.040 0.000 0.846 136 D CB 1.472 42.266 40.800 -0.010 0.000 1.003 136 D HN 0.564 nan 8.370 nan 0.000 0.504 137 A N 0.704 123.477 122.820 -0.078 0.000 2.454 137 A HA 0.744 5.064 4.320 -0.001 0.000 0.302 137 A C -1.247 176.344 177.584 0.011 0.000 1.079 137 A CA -0.495 51.452 52.037 -0.150 0.000 0.731 137 A CB 1.510 20.295 19.000 -0.358 0.000 1.299 137 A HN 0.054 nan 8.150 nan 0.000 0.413 138 L N 2.322 123.564 121.223 0.032 0.000 2.385 138 L HA 0.494 4.833 4.340 -0.001 0.000 0.273 138 L C -2.394 174.457 176.870 -0.031 0.000 0.990 138 L CA -2.079 52.797 54.840 0.060 0.000 0.821 138 L CB 2.810 44.896 42.059 0.046 0.000 1.279 138 L HN 0.501 nan 8.230 nan 0.000 0.412 139 P HA 0.088 nan 4.420 nan 0.000 0.271 139 P C -0.935 176.298 177.300 -0.111 0.000 1.216 139 P CA -0.135 62.680 63.100 -0.476 0.000 0.771 139 P CB 1.577 33.048 31.700 -0.381 0.000 0.864 140 V N 3.099 123.022 119.914 0.016 0.000 2.407 140 V HA 0.478 4.598 4.120 -0.001 0.000 0.291 140 V C 0.730 177.034 176.094 0.350 0.000 1.018 140 V CA -0.744 61.701 62.300 0.241 0.000 0.842 140 V CB 1.201 33.283 31.823 0.432 0.000 0.996 140 V HN 0.752 nan 8.190 nan 0.000 0.426 141 A N 5.263 128.252 122.820 0.283 0.000 2.267 141 A HA 0.696 5.016 4.320 -0.001 0.000 0.271 141 A C -0.607 177.096 177.584 0.198 0.000 1.131 141 A CA -0.449 51.709 52.037 0.202 0.000 0.818 141 A CB 0.842 19.973 19.000 0.218 0.000 1.118 141 A HN 0.966 nan 8.150 nan 0.000 0.501 142 W N 0.124 121.235 121.300 -0.314 0.000 3.097 142 W HA 0.406 5.065 4.660 -0.001 0.000 0.335 142 W C -1.480 174.830 176.519 -0.349 0.000 1.114 142 W CA -0.323 56.618 57.345 -0.673 0.000 1.231 142 W CB 1.860 30.830 29.460 -0.815 0.000 1.388 142 W HN 0.635 nan 8.180 nan 0.000 0.485 143 T N 6.235 120.033 114.554 -1.261 0.000 2.780 143 T HA 0.359 4.709 4.350 -0.001 0.000 0.294 143 T C 0.132 174.385 174.700 -0.746 0.000 0.949 143 T CA -0.175 61.513 62.100 -0.688 0.000 1.074 143 T CB 0.717 69.319 68.868 -0.443 0.000 0.910 143 T HN 0.223 nan 8.240 nan 0.000 0.501 144 L N 3.106 124.182 121.223 -0.244 0.000 2.261 144 L HA 0.501 4.841 4.340 -0.001 0.000 0.289 144 L C 0.908 177.731 176.870 -0.079 0.000 1.059 144 L CA -0.564 54.216 54.840 -0.101 0.000 0.816 144 L CB 0.712 42.772 42.059 0.000 0.000 1.191 144 L HN 0.776 nan 8.230 nan 0.000 0.431 145 A N 1.208 123.969 122.820 -0.097 0.000 2.594 145 A HA 0.113 4.433 4.320 -0.001 0.000 0.287 145 A C 1.667 179.244 177.584 -0.012 0.000 1.227 145 A CA 0.283 52.287 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 0.720 nan 8.150 nan 0.000 0.524 146 S N -1.028 114.682 115.700 0.017 0.000 2.428 146 S HA 0.231 4.701 4.470 -0.001 0.000 0.230 146 S C 1.740 176.343 174.600 0.005 0.000 1.014 146 S CA 1.497 59.709 58.200 0.021 0.000 0.957 146 S CB -0.367 62.856 63.200 0.038 0.000 0.784 146 S HN 1.906 nan 8.310 nan 0.000 0.499 147 G N 0.762 109.564 108.800 0.003 0.000 2.205 147 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.261 147 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.261 147 G C -0.194 174.625 174.900 -0.135 0.000 0.980 147 G CA 0.358 45.404 45.100 -0.090 0.000 0.632 147 G HN 0.784 nan 8.290 nan 0.000 0.533 148 D N -0.392 120.004 120.400 -0.006 0.000 2.303 148 D HA 0.646 5.286 4.640 -0.001 0.000 0.236 148 D C 1.666 178.061 176.300 0.159 0.000 1.068 148 D CA 0.398 54.415 54.000 0.028 0.000 0.830 148 D CB 0.979 41.794 40.800 0.024 0.000 1.109 148 D HN -0.049 nan 8.370 nan 0.000 0.496 149 T N 2.467 117.153 114.554 0.220 0.000 2.635 149 T HA -0.206 4.144 4.350 -0.001 0.000 0.267 149 T C 1.886 176.641 174.700 0.091 0.000 1.040 149 T CA 1.642 63.895 62.100 0.256 0.000 1.156 149 T CB -0.315 68.695 68.868 0.237 0.000 0.863 149 T HN 0.572 nan 8.240 nan 0.000 0.430 150 A N 1.737 124.594 122.820 0.062 0.000 1.883 150 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 150 A C 2.281 179.875 177.584 0.018 0.000 1.186 150 A CA 1.743 53.796 52.037 0.027 0.000 0.624 150 A CB -0.492 18.522 19.000 0.022 0.000 0.822 150 A HN 0.486 nan 8.150 nan 0.000 0.444 151 K N -0.458 119.960 120.400 0.030 0.000 2.057 151 K HA -0.147 4.172 4.320 -0.001 0.000 0.207 151 K C 1.531 178.140 176.600 0.015 0.000 1.049 151 K CA 1.446 57.748 56.287 0.024 0.000 0.931 151 K CB -0.258 32.261 32.500 0.032 0.000 0.714 151 K HN 0.422 nan 8.250 nan 0.000 0.440 152 D N 0.992 121.408 120.400 0.026 0.000 2.117 152 D HA -0.117 4.523 4.640 -0.001 0.000 0.197 152 D C 1.921 178.164 176.300 -0.096 0.000 0.987 152 D CA 0.998 54.989 54.000 -0.014 0.000 0.829 152 D CB -0.161 40.643 40.800 0.006 0.000 0.961 152 D HN 0.182 nan 8.370 nan 0.000 0.460 153 I N 1.190 121.710 120.570 -0.083 0.000 2.226 153 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 153 I C 2.496 178.552 176.117 -0.103 0.000 1.100 153 I CA 0.999 62.232 61.300 -0.112 0.000 1.374 153 I CB -0.224 37.736 38.000 -0.067 0.000 1.057 153 I HN -0.077 nan 8.210 nan 0.000 0.413 154 A N 0.226 123.012 122.820 -0.057 0.000 1.902 154 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 154 A C 2.313 179.867 177.584 -0.050 0.000 1.181 154 A CA 1.911 53.924 52.037 -0.041 0.000 0.623 154 A CB -0.637 18.353 19.000 -0.017 0.000 0.818 154 A HN 0.481 nan 8.150 nan 0.000 0.443 155 E N -0.266 119.906 120.200 -0.047 0.000 2.077 155 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 155 E C 2.162 178.704 176.600 -0.097 0.000 0.989 155 E CA 0.943 57.325 56.400 -0.029 0.000 0.800 155 E CB -0.233 29.494 29.700 0.046 0.000 0.746 155 E HN 0.548 nan 8.360 nan 0.000 0.452 156 A N 0.888 123.550 122.820 -0.263 0.000 1.877 156 A HA -0.248 4.072 4.320 -0.001 0.000 0.216 156 A C 2.056 179.509 177.584 -0.219 0.000 1.186 156 A CA 1.649 53.312 52.037 -0.623 0.000 0.620 156 A CB -0.557 17.815 19.000 -1.046 0.000 0.822 156 A HN 0.320 nan 8.150 nan 0.000 0.443 157 Q N -0.646 119.077 119.800 -0.128 0.000 2.170 157 Q HA -0.185 4.155 4.340 -0.001 0.000 0.203 157 Q C 2.154 178.165 176.000 0.019 0.000 0.976 157 Q CA 1.608 57.398 55.803 -0.021 0.000 0.858 157 Q CB -0.193 28.530 28.738 -0.025 0.000 0.907 157 Q HN 0.751 nan 8.270 nan 0.000 0.433 158 K N 0.406 120.802 120.400 -0.007 0.000 2.025 158 K HA -0.127 4.192 4.320 -0.001 0.000 0.207 158 K C 1.966 178.575 176.600 0.015 0.000 1.049 158 K CA 1.088 57.373 56.287 -0.003 0.000 0.933 158 K CB 0.123 32.608 32.500 -0.024 0.000 0.714 158 K HN 0.112 nan 8.250 nan 0.000 0.438 159 M N 0.982 120.611 119.600 0.049 0.000 2.229 159 M HA -0.093 4.387 4.480 -0.001 0.000 0.264 159 M C 2.131 178.555 176.300 0.206 0.000 1.063 159 M CA 1.219 56.580 55.300 0.102 0.000 1.114 159 M CB -0.728 32.008 32.600 0.226 0.000 1.387 159 M HN 0.206 nan 8.290 nan 0.000 0.420 160 L N -0.274 121.120 121.223 0.284 0.000 2.044 160 L HA -0.211 4.129 4.340 -0.001 0.000 0.205 160 L C 2.178 179.174 176.870 0.211 0.000 1.075 160 L CA 1.361 56.406 54.840 0.341 0.000 0.747 160 L CB -0.607 41.622 42.059 0.284 0.000 0.903 160 L HN 0.238 nan 8.230 nan 0.000 0.435 161 D N 0.270 120.737 120.400 0.111 0.000 2.144 161 D HA -0.180 4.459 4.640 -0.001 0.000 0.199 161 D C 2.054 178.357 176.300 0.004 0.000 0.984 161 D CA 1.162 55.196 54.000 0.056 0.000 0.834 161 D CB 0.014 40.832 40.800 0.029 0.000 0.955 161 D HN 0.215 nan 8.370 nan 0.000 0.465 162 L N -0.359 120.846 121.223 -0.030 0.000 2.599 162 L HA 0.226 4.565 4.340 -0.001 0.000 0.230 162 L C 0.536 177.282 176.870 -0.207 0.000 1.141 162 L CA 0.068 54.849 54.840 -0.098 0.000 0.877 162 L CB -0.225 41.770 42.059 -0.107 0.000 1.009 162 L HN 0.039 nan 8.230 nan 0.000 0.447 163 R N -0.148 120.205 120.500 -0.245 0.000 3.525 163 R HA -0.218 4.121 4.340 -0.001 0.000 0.276 163 R C 1.254 176.966 176.300 -0.980 0.000 1.116 163 R CA 0.358 55.979 56.100 -0.797 0.000 0.745 163 R CB -1.410 28.478 30.300 -0.688 0.000 1.185 163 R HN 0.424 nan 8.270 nan 0.000 0.454 164 R N -0.734 119.465 120.500 -0.501 0.000 2.103 164 R HA 0.106 4.446 4.340 -0.001 0.000 0.212 164 R C 0.107 176.009 176.300 -0.663 0.000 1.107 164 R CA 0.980 56.737 56.100 -0.571 0.000 1.025 164 R CB 0.314 30.316 30.300 -0.497 0.000 0.929 164 R HN 0.358 nan 8.270 nan 0.000 0.456 165 H N -1.338 117.846 119.070 0.191 0.000 2.996 165 H HA 0.290 4.845 4.556 -0.001 0.000 0.368 165 H C -0.213 175.190 175.328 0.124 0.000 1.185 165 H CA -0.800 55.356 56.048 0.181 0.000 1.160 165 H CB 1.577 31.294 29.762 -0.074 0.000 1.820 165 H HN -0.018 nan 8.280 nan 0.000 0.547 166 R N 1.491 121.908 120.500 -0.138 0.000 2.538 166 R HA 0.368 4.708 4.340 -0.001 0.000 0.372 166 R C -0.925 175.094 176.300 -0.468 0.000 0.950 166 R CA 0.020 55.927 56.100 -0.321 0.000 1.168 166 R CB 0.597 30.540 30.300 -0.594 0.000 1.542 166 R HN 0.358 nan 8.270 nan 0.000 0.536 167 I N 1.688 121.863 120.570 -0.659 0.000 2.466 167 I HA 0.453 4.622 4.170 -0.001 0.000 0.289 167 I C -1.221 174.499 176.117 -0.661 0.000 1.026 167 I CA -1.037 60.015 61.300 -0.414 0.000 1.078 167 I CB 1.679 39.603 38.000 -0.127 0.000 1.249 167 I HN -0.140 nan 8.210 nan 0.000 0.429 168 F N 4.729 124.748 119.950 0.116 0.000 2.532 168 F HA 0.538 5.064 4.527 -0.001 0.000 0.321 168 F C 0.024 175.856 175.800 0.052 0.000 1.089 168 F CA -0.841 57.214 58.000 0.092 0.000 0.926 168 F CB 1.882 40.932 39.000 0.083 0.000 1.168 168 F HN 0.260 nan 8.300 nan 0.000 0.459 169 K N 3.654 124.164 120.400 0.183 0.000 2.292 169 K HA 0.741 5.061 4.320 -0.001 0.000 0.257 169 K C -1.811 174.818 176.600 0.050 0.000 0.940 169 K CA -0.475 55.869 56.287 0.096 0.000 0.811 169 K CB 1.209 33.767 32.500 0.098 0.000 1.120 169 K HN 0.744 nan 8.250 nan 0.000 0.428 170 L N 4.306 125.549 121.223 0.034 0.000 2.333 170 L HA 0.443 4.782 4.340 -0.001 0.000 0.280 170 L C -0.439 176.437 176.870 0.009 0.000 1.004 170 L CA -0.876 53.980 54.840 0.027 0.000 0.820 170 L CB 1.872 43.947 42.059 0.027 0.000 1.247 170 L HN 0.542 nan 8.230 nan 0.000 0.416 171 K N 5.350 125.755 120.400 0.009 0.000 2.276 171 K HA 0.597 4.917 4.320 -0.001 0.000 0.285 171 K C -0.572 176.022 176.600 -0.011 0.000 1.062 171 K CA -0.208 56.068 56.287 -0.019 0.000 0.918 171 K CB 1.219 33.711 32.500 -0.014 0.000 1.055 171 K HN 0.493 nan 8.250 nan 0.000 0.477 172 I N -2.808 117.718 120.570 -0.074 0.000 3.343 172 I HA 0.720 4.889 4.170 -0.001 0.000 0.315 172 I C 0.620 176.626 176.117 -0.185 0.000 1.153 172 I CA -0.835 60.427 61.300 -0.063 0.000 0.952 172 I CB 2.182 40.182 38.000 0.001 0.000 1.287 172 I HN 0.670 nan 8.210 nan 0.000 0.472 173 G N 0.678 109.419 108.800 -0.099 0.000 2.278 173 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.210 173 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.210 173 G C 0.856 175.768 174.900 0.020 0.000 1.000 173 G CA 0.532 45.543 45.100 -0.149 0.000 0.635 173 G HN 1.261 nan 8.290 nan 0.000 0.495 174 A N 0.562 123.387 122.820 0.010 0.000 1.975 174 A HA 0.634 4.953 4.320 -0.001 0.000 0.215 174 A C 1.799 179.409 177.584 0.043 0.000 1.170 174 A CA 2.156 54.205 52.037 0.020 0.000 0.656 174 A CB -0.406 18.595 19.000 0.001 0.000 0.821 174 A HN 1.707 nan 8.150 nan 0.000 0.449 175 G N -0.943 107.891 108.800 0.057 0.000 2.568 175 G HA2 0.421 4.381 3.960 -0.001 0.000 0.293 175 G HA3 0.421 4.381 3.960 -0.001 0.000 0.293 175 G C -0.425 174.528 174.900 0.088 0.000 1.347 175 G CA -0.431 44.700 45.100 0.053 0.000 1.039 175 G HN 0.144 nan 8.290 nan 0.000 0.523 176 E N -0.250 119.987 120.200 0.062 0.000 2.376 176 E HA -0.033 4.316 4.350 -0.001 0.000 0.266 176 E C 1.575 178.226 176.600 0.085 0.000 1.009 176 E CA -0.202 56.233 56.400 0.058 0.000 0.902 176 E CB 1.454 31.172 29.700 0.030 0.000 0.972 176 E HN 0.147 nan 8.360 nan 0.000 0.439 177 V N 5.581 125.540 119.914 0.075 0.000 2.250 177 V HA -0.318 3.802 4.120 -0.001 0.000 0.250 177 V C 1.383 177.507 176.094 0.050 0.000 1.060 177 V CA 2.657 64.997 62.300 0.066 0.000 1.030 177 V CB -0.225 31.516 31.823 -0.137 0.000 0.643 177 V HN 0.696 nan 8.190 nan 0.000 0.445 178 D N -0.839 119.566 120.400 0.008 0.000 2.178 178 D HA -0.187 4.452 4.640 -0.001 0.000 0.201 178 D C 2.240 178.568 176.300 0.048 0.000 0.980 178 D CA 1.639 55.647 54.000 0.014 0.000 0.842 178 D CB -0.262 40.536 40.800 -0.004 0.000 0.948 178 D HN 0.550 nan 8.370 nan 0.000 0.472 179 R N 0.690 121.223 120.500 0.055 0.000 2.090 179 R HA -0.104 4.235 4.340 -0.001 0.000 0.228 179 R C 1.441 177.803 176.300 0.104 0.000 1.110 179 R CA 1.167 57.304 56.100 0.062 0.000 0.973 179 R CB 0.158 30.480 30.300 0.037 0.000 0.869 179 R HN -0.086 nan 8.270 nan 0.000 0.440 180 D N 0.682 121.161 120.400 0.131 0.000 2.117 180 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 180 D C 1.967 178.397 176.300 0.217 0.000 0.987 180 D CA 1.128 55.242 54.000 0.190 0.000 0.829 180 D CB -0.099 40.844 40.800 0.238 0.000 0.961 180 D HN 0.260 nan 8.370 nan 0.000 0.460 181 L N 0.582 121.913 121.223 0.180 0.000 2.046 181 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 181 L C 2.556 179.491 176.870 0.107 0.000 1.077 181 L CA 1.182 56.107 54.840 0.142 0.000 0.747 181 L CB -0.530 41.583 42.059 0.090 0.000 0.896 181 L HN -0.022 nan 8.230 nan 0.000 0.432 182 A N -0.434 122.446 122.820 0.100 0.000 1.902 182 A HA -0.301 4.018 4.320 -0.001 0.000 0.217 182 A C 2.118 179.766 177.584 0.106 0.000 1.181 182 A CA 2.027 54.114 52.037 0.083 0.000 0.623 182 A CB -0.840 18.203 19.000 0.071 0.000 0.818 182 A HN 0.545 nan 8.150 nan 0.000 0.443 183 H N -0.033 119.058 119.070 0.036 0.000 2.267 183 H HA -0.111 4.445 4.556 -0.001 0.000 0.297 183 H C 1.838 177.184 175.328 0.029 0.000 1.080 183 H CA 2.347 58.413 56.048 0.029 0.000 1.278 183 H CB -0.463 29.318 29.762 0.031 0.000 1.365 183 H HN 0.106 nan 8.280 nan 0.000 0.489 184 V N 0.733 120.602 119.914 -0.076 0.000 2.343 184 V HA -0.225 3.895 4.120 -0.001 0.000 0.247 184 V C 2.738 178.789 176.094 -0.071 0.000 1.051 184 V CA 1.963 64.185 62.300 -0.130 0.000 1.036 184 V CB -0.564 31.263 31.823 0.006 0.000 0.654 184 V HN 0.450 nan 8.190 nan 0.000 0.451 185 I N 0.507 121.071 120.570 -0.010 0.000 2.286 185 I HA -0.222 3.947 4.170 -0.001 0.000 0.248 185 I C 2.626 178.734 176.117 -0.015 0.000 1.115 185 I CA 1.420 62.720 61.300 0.001 0.000 1.392 185 I CB -0.557 37.456 38.000 0.021 0.000 1.065 185 I HN 0.297 nan 8.210 nan 0.000 0.418 186 A N 0.934 123.739 122.820 -0.024 0.000 1.969 186 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 186 A C 2.281 179.834 177.584 -0.052 0.000 1.169 186 A CA 1.253 53.276 52.037 -0.024 0.000 0.635 186 A CB -0.632 18.366 19.000 -0.004 0.000 0.810 186 A HN 0.370 nan 8.150 nan 0.000 0.445 187 I N -0.713 119.794 120.570 -0.105 0.000 2.252 187 I HA -0.211 3.959 4.170 -0.001 0.000 0.245 187 I C 2.510 178.589 176.117 -0.064 0.000 1.102 187 I CA 1.748 62.977 61.300 -0.119 0.000 1.385 187 I CB -0.156 37.724 38.000 -0.200 0.000 1.064 187 I HN 0.264 nan 8.210 nan 0.000 0.414 188 K N 1.829 122.207 120.400 -0.036 0.000 2.057 188 K HA -0.211 4.108 4.320 -0.001 0.000 0.207 188 K C 2.037 178.639 176.600 0.003 0.000 1.049 188 K CA 1.655 57.943 56.287 0.002 0.000 0.931 188 K CB -0.270 32.240 32.500 0.017 0.000 0.714 188 K HN 0.064 nan 8.250 nan 0.000 0.440 189 K N -0.419 119.979 120.400 -0.004 0.000 2.063 189 K HA -0.103 4.217 4.320 -0.001 0.000 0.208 189 K C 1.869 178.468 176.600 -0.002 0.000 1.048 189 K CA 1.381 57.669 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 0.231 nan 8.250 nan 0.000 0.442 190 A N 0.792 123.604 122.820 -0.012 0.000 1.930 190 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 190 A C 1.993 179.572 177.584 -0.009 0.000 1.175 190 A CA 1.070 53.099 52.037 -0.014 0.000 0.627 190 A CB -0.356 18.627 19.000 -0.028 0.000 0.815 190 A HN 0.302 nan 8.150 nan 0.000 0.443 191 L N -1.490 119.729 121.223 -0.007 0.000 2.270 191 L HA 0.199 4.538 4.340 -0.001 0.000 0.210 191 L C 1.840 178.727 176.870 0.030 0.000 1.104 191 L CA 0.365 55.213 54.840 0.014 0.000 0.804 191 L CB -1.064 41.013 42.059 0.030 0.000 0.937 191 L HN 0.612 nan 8.230 nan 0.000 0.450 192 G N 2.044 110.858 108.800 0.024 0.000 2.574 192 G HA2 -0.432 3.528 3.960 -0.001 0.000 0.282 192 G HA3 -0.432 3.528 3.960 -0.001 0.000 0.282 192 G C 0.242 175.161 174.900 0.031 0.000 1.257 192 G CA 0.573 45.687 45.100 0.024 0.000 0.956 192 G HN 0.577 nan 8.290 nan 0.000 0.560 193 D N -0.033 120.381 120.400 0.023 0.000 2.338 193 D HA 0.195 4.834 4.640 -0.001 0.000 0.239 193 D C 2.106 178.416 176.300 0.017 0.000 1.095 193 D CA 1.395 55.406 54.000 0.018 0.000 0.888 193 D CB -0.168 40.637 40.800 0.009 0.000 0.899 193 D HN 0.835 nan 8.370 nan 0.000 0.525 194 S N -1.159 114.561 115.700 0.033 0.000 2.522 194 S HA 0.355 4.825 4.470 -0.001 0.000 0.227 194 S C 0.845 175.476 174.600 0.051 0.000 0.986 194 S CA -0.018 58.204 58.200 0.037 0.000 0.929 194 S CB -0.057 63.178 63.200 0.057 0.000 0.769 194 S HN 0.482 nan 8.310 nan 0.000 0.529 195 A N 0.464 123.332 122.820 0.080 0.000 2.609 195 A HA 0.733 5.053 4.320 -0.001 0.000 0.291 195 A C -0.690 176.952 177.584 0.097 0.000 1.096 195 A CA -0.463 51.643 52.037 0.116 0.000 0.684 195 A CB 1.116 20.329 19.000 0.354 0.000 1.282 195 A HN 0.279 nan 8.150 nan 0.000 0.412 196 S N 0.056 115.798 115.700 0.071 0.000 2.462 196 S HA 0.620 5.090 4.470 -0.001 0.000 0.294 196 S C -0.868 173.814 174.600 0.137 0.000 1.144 196 S CA -0.380 57.865 58.200 0.076 0.000 1.088 196 S CB 0.554 63.777 63.200 0.038 0.000 1.009 196 S HN 1.074 nan 8.310 nan 0.000 0.484 197 V N 6.224 126.220 119.914 0.136 0.000 2.448 197 V HA 0.626 4.746 4.120 -0.001 0.000 0.295 197 V C -0.181 175.973 176.094 0.101 0.000 1.025 197 V CA -0.738 61.649 62.300 0.144 0.000 0.859 197 V CB 1.524 33.414 31.823 0.112 0.000 0.988 197 V HN 0.904 nan 8.190 nan 0.000 0.431 198 R N 2.422 122.975 120.500 0.088 0.000 2.888 198 R HA 0.888 5.228 4.340 -0.001 0.000 0.266 198 R C -0.875 175.433 176.300 0.013 0.000 1.020 198 R CA -0.707 55.415 56.100 0.035 0.000 0.963 198 R CB 2.305 32.610 30.300 0.008 0.000 1.197 198 R HN 0.652 nan 8.270 nan 0.000 0.481 199 V N -2.298 117.598 119.914 -0.030 0.000 3.001 199 V HA 0.695 4.815 4.120 -0.001 0.000 0.314 199 V C -1.255 174.780 176.094 -0.098 0.000 1.099 199 V CA -0.738 61.534 62.300 -0.046 0.000 0.989 199 V CB 2.286 34.086 31.823 -0.037 0.000 1.040 199 V HN 0.675 nan 8.190 nan 0.000 0.434 200 D N 1.318 121.652 120.400 -0.109 0.000 2.620 200 D HA 0.510 5.150 4.640 -0.001 0.000 0.252 200 D C 0.213 176.393 176.300 -0.200 0.000 1.207 200 D CA -0.287 53.633 54.000 -0.133 0.000 0.884 200 D CB 2.259 43.015 40.800 -0.073 0.000 1.262 200 D HN 0.393 nan 8.370 nan 0.000 0.552 201 V N 2.881 122.615 119.914 -0.300 0.000 3.608 201 V HA 0.045 4.165 4.120 -0.001 0.000 0.269 201 V C 0.560 176.474 176.094 -0.299 0.000 1.245 201 V CA -0.025 61.990 62.300 -0.474 0.000 1.138 201 V CB -1.377 29.932 31.823 -0.857 0.000 0.841 201 V HN 0.728 nan 8.190 nan 0.000 0.451 202 N N 1.247 119.850 118.700 -0.162 0.000 2.716 202 N HA -0.304 4.436 4.740 -0.001 0.000 0.250 202 N C 0.568 176.030 175.510 -0.081 0.000 1.033 202 N CA 0.877 53.886 53.050 -0.067 0.000 0.727 202 N CB -1.063 37.432 38.487 0.014 0.000 0.950 202 N HN 0.730 nan 8.380 nan 0.000 0.541 203 Q N -4.590 115.148 119.800 -0.103 0.000 2.305 203 Q HA -0.365 3.974 4.340 -0.001 0.000 0.203 203 Q C 1.418 177.380 176.000 -0.063 0.000 0.663 203 Q CA 1.082 56.845 55.803 -0.067 0.000 1.389 203 Q CB -1.596 27.120 28.738 -0.037 0.000 1.566 203 Q HN 0.704 nan 8.270 nan 0.000 0.755 204 A N -0.024 122.715 122.820 -0.135 0.000 1.940 204 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 204 A C 0.564 178.190 177.584 0.071 0.000 1.176 204 A CA 1.062 53.044 52.037 -0.091 0.000 0.631 204 A CB -0.198 18.692 19.000 -0.182 0.000 0.814 204 A HN 0.409 nan 8.150 nan 0.000 0.446 205 W N 0.681 121.977 121.300 -0.006 0.000 2.303 205 W HA 0.449 5.109 4.660 -0.001 0.000 0.334 205 W C -0.603 175.909 176.519 -0.010 0.000 1.197 205 W CA -1.395 55.945 57.345 -0.008 0.000 1.262 205 W CB -0.006 29.449 29.460 -0.007 0.000 1.153 205 W HN 0.115 nan 8.180 nan 0.000 0.596 206 D N 0.249 120.782 120.400 0.221 0.000 2.312 206 D HA -0.007 4.633 4.640 -0.001 0.000 0.248 206 D C 1.196 177.548 176.300 0.088 0.000 1.086 206 D CA -0.249 53.815 54.000 0.106 0.000 0.948 206 D CB 1.036 41.866 40.800 0.050 0.000 1.162 206 D HN 0.487 nan 8.370 nan 0.000 0.446 207 E N 1.177 121.412 120.200 0.057 0.000 2.160 207 E HA -0.250 4.100 4.350 -0.001 0.000 0.195 207 E C 1.583 178.180 176.600 -0.005 0.000 0.991 207 E CA 1.202 57.624 56.400 0.037 0.000 0.810 207 E CB 0.106 29.820 29.700 0.023 0.000 0.742 207 E HN 0.500 nan 8.360 nan 0.000 0.466 208 A N 0.238 123.047 122.820 -0.018 0.000 1.978 208 A HA -0.144 4.176 4.320 -0.001 0.000 0.220 208 A C 2.302 179.827 177.584 -0.098 0.000 1.170 208 A CA 1.519 53.528 52.037 -0.047 0.000 0.636 208 A CB -0.341 18.637 19.000 -0.038 0.000 0.810 208 A HN 0.243 nan 8.150 nan 0.000 0.448 209 V N -0.863 118.969 119.914 -0.136 0.000 2.500 209 V HA -0.048 4.072 4.120 -0.001 0.000 0.243 209 V C 2.978 178.820 176.094 -0.420 0.000 1.039 209 V CA 1.412 63.529 62.300 -0.304 0.000 1.053 209 V CB -0.907 30.671 31.823 -0.407 0.000 0.695 209 V HN 0.573 nan 8.190 nan 0.000 0.463 210 A N 1.322 123.997 122.820 -0.242 0.000 1.933 210 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 210 A C 2.128 179.659 177.584 -0.089 0.000 1.175 210 A CA 2.165 54.140 52.037 -0.104 0.000 0.628 210 A CB -0.650 18.475 19.000 0.209 0.000 0.814 210 A HN 0.637 nan 8.150 nan 0.000 0.444 211 L N -1.656 119.524 121.223 -0.070 0.000 2.187 211 L HA -0.044 4.296 4.340 -0.001 0.000 0.213 211 L C 2.162 178.987 176.870 -0.076 0.000 1.100 211 L CA 2.493 57.302 54.840 -0.051 0.000 0.765 211 L CB -0.615 41.420 42.059 -0.040 0.000 0.904 211 L HN 0.364 nan 8.230 nan 0.000 0.437 212 R N 0.042 120.464 120.500 -0.130 0.000 2.105 212 R HA 0.193 4.532 4.340 -0.001 0.000 0.214 212 R C 2.328 178.536 176.300 -0.153 0.000 1.091 212 R CA 0.897 56.920 56.100 -0.129 0.000 1.007 212 R CB -0.286 29.928 30.300 -0.143 0.000 0.912 212 R HN 0.444 nan 8.270 nan 0.000 0.450 213 A N 0.606 123.261 122.820 -0.274 0.000 1.933 213 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 213 A C 2.347 179.886 177.584 -0.076 0.000 1.175 213 A CA 1.559 53.417 52.037 -0.299 0.000 0.628 213 A CB -0.920 17.561 19.000 -0.866 0.000 0.814 213 A HN 0.566 nan 8.150 nan 0.000 0.444 214 C N -0.958 118.332 119.300 -0.016 0.000 2.425 214 C HA -0.062 4.397 4.460 -0.001 0.000 0.277 214 C C 2.849 177.854 174.990 0.026 0.000 1.280 214 C CA 0.997 60.053 59.018 0.065 0.000 1.744 214 C CB -1.316 26.466 27.740 0.071 0.000 1.989 214 C HN 0.592 nan 8.230 nan 0.000 0.491 215 R N 0.548 121.044 120.500 -0.006 0.000 2.092 215 R HA -0.030 4.309 4.340 -0.001 0.000 0.231 215 R C 1.988 178.288 176.300 -0.002 0.000 1.119 215 R CA 1.268 57.364 56.100 -0.006 0.000 0.970 215 R CB -0.321 29.967 30.300 -0.019 0.000 0.864 215 R HN 0.546 nan 8.270 nan 0.000 0.440 216 I N 0.847 121.411 120.570 -0.010 0.000 2.202 216 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 216 I C 2.252 178.382 176.117 0.022 0.000 1.091 216 I CA 1.271 62.570 61.300 -0.002 0.000 1.368 216 I CB -0.275 37.715 38.000 -0.016 0.000 1.058 216 I HN 0.122 nan 8.210 nan 0.000 0.410 217 L N 0.480 121.728 121.223 0.043 0.000 2.046 217 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 217 L C 2.700 179.597 176.870 0.045 0.000 1.077 217 L CA 1.624 56.500 54.840 0.061 0.000 0.747 217 L CB -1.185 40.935 42.059 0.101 0.000 0.896 217 L HN 0.323 nan 8.230 nan 0.000 0.432 218 G N -0.422 108.401 108.800 0.038 0.000 2.432 218 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.219 218 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.219 218 G C 1.476 176.393 174.900 0.028 0.000 1.135 218 G CA 0.691 45.810 45.100 0.032 0.000 0.767 218 G HN 0.503 nan 8.290 nan 0.000 0.550 219 G N -0.496 108.317 108.800 0.022 0.000 2.920 219 G HA2 0.024 3.983 3.960 -0.001 0.000 0.208 219 G HA3 0.024 3.983 3.960 -0.001 0.000 0.208 219 G C 0.948 175.860 174.900 0.019 0.000 1.159 219 G CA -0.095 45.015 45.100 0.018 0.000 0.784 219 G HN 0.384 nan 8.290 nan 0.000 0.535 220 N N 0.247 118.962 118.700 0.025 0.000 2.416 220 N HA 0.177 4.917 4.740 -0.001 0.000 0.267 220 N C 1.252 176.779 175.510 0.029 0.000 1.294 220 N CA 0.530 53.595 53.050 0.024 0.000 0.891 220 N CB 1.088 39.590 38.487 0.024 0.000 1.238 220 N HN 0.278 nan 8.380 nan 0.000 0.508 221 G N 0.875 109.695 108.800 0.033 0.000 2.143 221 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.249 221 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.249 221 G C 0.006 174.937 174.900 0.050 0.000 0.981 221 G CA -0.279 44.844 45.100 0.040 0.000 0.665 221 G HN 0.248 nan 8.290 nan 0.000 0.528 222 I N 1.659 122.259 120.570 0.050 0.000 2.352 222 I HA 0.256 4.426 4.170 -0.001 0.000 0.290 222 I C 0.767 176.922 176.117 0.065 0.000 1.036 222 I CA -0.758 60.575 61.300 0.055 0.000 1.336 222 I CB 1.152 39.182 38.000 0.050 0.000 1.407 222 I HN -0.048 nan 8.210 nan 0.000 0.497 223 D N 4.784 125.239 120.400 0.091 0.000 2.277 223 D HA 0.068 4.707 4.640 -0.001 0.000 0.208 223 D C 0.341 176.694 176.300 0.088 0.000 0.962 223 D CA 0.999 55.090 54.000 0.152 0.000 0.865 223 D CB 0.573 41.522 40.800 0.248 0.000 0.939 223 D HN 0.275 nan 8.370 nan 0.000 0.510 224 L N 0.114 121.322 121.223 -0.024 0.000 2.545 224 L HA 0.380 4.720 4.340 -0.001 0.000 0.258 224 L C -1.858 174.919 176.870 -0.154 0.000 0.942 224 L CA -0.482 54.234 54.840 -0.207 0.000 0.855 224 L CB 2.266 44.110 42.059 -0.358 0.000 1.374 224 L HN -0.244 nan 8.230 nan 0.000 0.411 225 I N 3.522 123.991 120.570 -0.169 0.000 2.390 225 I HA 0.380 4.550 4.170 -0.001 0.000 0.283 225 I C -0.311 175.714 176.117 -0.154 0.000 1.016 225 I CA -0.443 60.789 61.300 -0.112 0.000 1.151 225 I CB 1.638 39.622 38.000 -0.027 0.000 1.293 225 I HN 0.614 nan 8.210 nan 0.000 0.458 226 E N 5.928 126.025 120.200 -0.172 0.000 2.229 226 E HA 0.091 4.441 4.350 -0.001 0.000 0.283 226 E C -0.076 176.441 176.600 -0.138 0.000 1.030 226 E CA -0.589 55.708 56.400 -0.171 0.000 0.836 226 E CB 0.715 30.306 29.700 -0.181 0.000 1.068 226 E HN 0.452 nan 8.360 nan 0.000 0.401 227 Q N 4.050 123.787 119.800 -0.104 0.000 2.417 227 Q HA -0.175 4.165 4.340 -0.001 0.000 0.368 227 Q C -1.942 173.999 176.000 -0.099 0.000 1.359 227 Q CA 0.658 56.413 55.803 -0.080 0.000 1.122 227 Q CB -0.210 28.488 28.738 -0.067 0.000 1.295 227 Q HN 0.513 nan 8.270 nan 0.000 0.337 228 P HA -0.112 nan 4.420 nan 0.000 0.218 228 P C 0.694 178.011 177.300 0.028 0.000 1.149 228 P CA 1.735 64.808 63.100 -0.046 0.000 0.817 228 P CB -0.087 31.699 31.700 0.144 0.000 0.785 229 I N -4.929 115.667 120.570 0.044 0.000 3.294 229 I HA 0.553 4.722 4.170 -0.001 0.000 0.311 229 I C 0.015 176.142 176.117 0.017 0.000 1.111 229 I CA -1.523 59.814 61.300 0.061 0.000 0.976 229 I CB 1.831 39.883 38.000 0.088 0.000 1.260 229 I HN -0.325 nan 8.210 nan 0.000 0.474 230 S N 0.939 116.651 115.700 0.020 0.000 2.558 230 S HA 0.083 4.552 4.470 -0.001 0.000 0.288 230 S C 1.353 175.951 174.600 -0.003 0.000 1.318 230 S CA -0.043 58.158 58.200 0.003 0.000 1.056 230 S CB 0.475 63.678 63.200 0.005 0.000 0.853 230 S HN 0.838 nan 8.310 nan 0.000 0.505 231 R N 3.745 124.238 120.500 -0.012 0.000 2.241 231 R HA -0.098 4.242 4.340 -0.001 0.000 0.224 231 R C 1.215 177.507 176.300 -0.013 0.000 1.101 231 R CA 2.032 58.122 56.100 -0.017 0.000 0.995 231 R CB -0.742 29.545 30.300 -0.022 0.000 0.870 231 R HN 0.700 nan 8.270 nan 0.000 0.463 232 N N 0.664 119.359 118.700 -0.008 0.000 2.409 232 N HA -0.091 4.649 4.740 -0.001 0.000 0.179 232 N C 0.205 175.714 175.510 -0.003 0.000 1.032 232 N CA 0.338 53.384 53.050 -0.006 0.000 0.898 232 N CB 0.009 38.493 38.487 -0.005 0.000 0.971 232 N HN 0.136 nan 8.380 nan 0.000 0.441 233 N N 1.558 120.259 118.700 0.001 0.000 3.188 233 N HA 0.114 4.854 4.740 -0.001 0.000 0.279 233 N C 0.392 175.903 175.510 0.002 0.000 1.213 233 N CA -0.073 52.980 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 0.157 nan 8.380 nan 0.000 0.526 234 R N 0.816 121.314 120.500 -0.003 0.000 2.073 234 R HA -0.104 4.236 4.340 -0.001 0.000 0.234 234 R C 1.782 178.079 176.300 -0.004 0.000 1.134 234 R CA 1.762 57.858 56.100 -0.006 0.000 0.952 234 R CB -0.286 30.009 30.300 -0.009 0.000 0.850 234 R HN 0.407 nan 8.270 nan 0.000 0.433 235 A N 0.975 123.793 122.820 -0.003 0.000 1.933 235 A HA -0.058 4.262 4.320 -0.001 0.000 0.218 235 A C 2.412 179.997 177.584 0.001 0.000 1.175 235 A CA 1.643 53.679 52.037 -0.002 0.000 0.628 235 A CB -1.008 17.991 19.000 -0.001 0.000 0.814 235 A HN 0.478 nan 8.150 nan 0.000 0.444 236 G N -0.990 107.812 108.800 0.004 0.000 2.402 236 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.216 236 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.216 236 G C 1.529 176.436 174.900 0.012 0.000 1.162 236 G CA 1.112 46.217 45.100 0.009 0.000 0.777 236 G HN 0.333 nan 8.290 nan 0.000 0.539 237 M N 0.443 120.049 119.600 0.010 0.000 2.159 237 M HA -0.044 4.436 4.480 -0.001 0.000 0.263 237 M C 2.762 179.066 176.300 0.006 0.000 1.063 237 M CA 0.844 56.151 55.300 0.010 0.000 1.110 237 M CB -0.799 31.804 32.600 0.005 0.000 1.374 237 M HN 0.134 nan 8.290 nan 0.000 0.411 238 V N 0.036 119.951 119.914 0.002 0.000 2.295 238 V HA -0.266 3.854 4.120 -0.001 0.000 0.246 238 V C 2.428 178.521 176.094 -0.001 0.000 1.049 238 V CA 1.667 63.966 62.300 -0.001 0.000 1.024 238 V CB -0.710 31.110 31.823 -0.006 0.000 0.648 238 V HN 0.447 nan 8.190 nan 0.000 0.447 239 R N -0.354 120.146 120.500 0.000 0.000 2.096 239 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 239 R C 2.283 178.584 176.300 0.001 0.000 1.127 239 R CA 1.338 57.438 56.100 -0.000 0.000 0.968 239 R CB -0.425 29.875 30.300 0.000 0.000 0.861 239 R HN 0.423 nan 8.270 nan 0.000 0.440 240 L N 0.738 121.965 121.223 0.007 0.000 2.141 240 L HA -0.158 4.182 4.340 -0.001 0.000 0.209 240 L C 2.020 178.892 176.870 0.004 0.000 1.094 240 L CA 0.950 55.797 54.840 0.011 0.000 0.763 240 L CB -0.465 41.609 42.059 0.026 0.000 0.908 240 L HN 0.294 nan 8.230 nan 0.000 0.437 241 N N 0.055 118.754 118.700 -0.001 0.000 2.289 241 N HA -0.151 4.588 4.740 -0.001 0.000 0.184 241 N C 1.794 177.299 175.510 -0.008 0.000 1.016 241 N CA 1.356 54.400 53.050 -0.010 0.000 0.872 241 N CB 0.125 38.605 38.487 -0.012 0.000 0.973 241 N HN 0.337 nan 8.380 nan 0.000 0.433 242 A N 0.641 123.458 122.820 -0.006 0.000 1.935 242 A HA -0.048 4.271 4.320 -0.001 0.000 0.214 242 A C 2.332 179.914 177.584 -0.004 0.000 1.178 242 A CA 1.420 53.454 52.037 -0.005 0.000 0.640 242 A CB -0.332 18.665 19.000 -0.005 0.000 0.825 242 A HN 0.399 nan 8.150 nan 0.000 0.447 243 S N -1.016 114.682 115.700 -0.003 0.000 2.458 243 S HA 0.085 4.555 4.470 -0.001 0.000 0.223 243 S C 1.099 175.698 174.600 -0.002 0.000 1.019 243 S CA 0.639 58.836 58.200 -0.004 0.000 0.937 243 S CB -0.516 62.681 63.200 -0.006 0.000 0.788 243 S HN 0.357 nan 8.310 nan 0.000 0.511 244 S N 3.523 119.224 115.700 0.001 0.000 2.505 244 S HA 0.338 4.808 4.470 -0.001 0.000 0.276 244 S C -1.334 173.267 174.600 0.002 0.000 1.274 244 S CA -1.399 56.804 58.200 0.004 0.000 1.053 244 S CB 1.026 64.231 63.200 0.007 0.000 0.919 244 S HN 0.312 nan 8.310 nan 0.000 0.490 245 P HA 0.195 nan 4.420 nan 0.000 0.241 245 P C -0.147 177.162 177.300 0.015 0.000 1.191 245 P CA 0.160 63.266 63.100 0.011 0.000 0.771 245 P CB 0.098 31.805 31.700 0.012 0.000 0.929 246 A N 1.730 124.555 122.820 0.008 0.000 2.337 246 A HA 0.650 4.970 4.320 -0.001 0.000 0.329 246 A C -2.593 174.966 177.584 -0.042 0.000 1.146 246 A CA -2.186 49.851 52.037 -0.000 0.000 0.800 246 A CB 0.671 19.674 19.000 0.005 0.000 1.220 246 A HN -0.080 nan 8.150 nan 0.000 0.472 247 P HA 0.184 nan 4.420 nan 0.000 0.268 247 P C -0.722 176.448 177.300 -0.217 0.000 1.205 247 P CA 0.171 63.168 63.100 -0.171 0.000 0.771 247 P CB 0.625 32.155 31.700 -0.283 0.000 0.858 248 I N 3.639 124.106 120.570 -0.172 0.000 2.359 248 I HA 0.402 4.571 4.170 -0.001 0.000 0.294 248 I C 0.651 176.661 176.117 -0.179 0.000 0.987 248 I CA -0.778 60.435 61.300 -0.144 0.000 1.225 248 I CB 1.086 39.047 38.000 -0.065 0.000 1.366 248 I HN 0.433 nan 8.210 nan 0.000 0.466 249 M N 5.319 124.802 119.600 -0.195 0.000 2.364 249 M HA 0.690 5.169 4.480 -0.001 0.000 0.334 249 M C -0.654 175.604 176.300 -0.070 0.000 1.107 249 M CA -0.473 54.727 55.300 -0.168 0.000 0.988 249 M CB 1.759 34.178 32.600 -0.303 0.000 1.673 249 M HN 0.684 nan 8.290 nan 0.000 0.441 250 A N 3.276 126.111 122.820 0.025 0.000 2.301 250 A HA 0.439 4.759 4.320 -0.001 0.000 0.298 250 A C -0.485 177.065 177.584 -0.056 0.000 1.185 250 A CA -0.403 51.617 52.037 -0.029 0.000 0.830 250 A CB 0.634 19.584 19.000 -0.083 0.000 1.112 250 A HN 0.973 nan 8.150 nan 0.000 0.508 251 D N 0.822 121.186 120.400 -0.059 0.000 3.106 251 D HA 0.032 4.672 4.640 -0.001 0.000 0.216 251 D C 1.232 177.512 176.300 -0.034 0.000 1.540 251 D CA 0.387 54.369 54.000 -0.031 0.000 1.389 251 D CB -0.180 40.617 40.800 -0.004 0.000 1.080 251 D HN 0.367 nan 8.370 nan 0.000 0.270 252 E N 0.294 120.485 120.200 -0.014 0.000 2.209 252 E HA -0.027 4.323 4.350 -0.001 0.000 0.196 252 E C 1.966 178.549 176.600 -0.028 0.000 0.993 252 E CA 0.847 57.247 56.400 0.001 0.000 0.819 252 E CB -0.221 29.486 29.700 0.012 0.000 0.745 252 E HN 0.098 nan 8.360 nan 0.000 0.477 253 S N -0.163 115.501 115.700 -0.060 0.000 2.442 253 S HA -0.011 4.459 4.470 -0.001 0.000 0.236 253 S C 0.718 175.247 174.600 -0.117 0.000 1.007 253 S CA 0.459 58.610 58.200 -0.083 0.000 0.965 253 S CB -0.070 63.070 63.200 -0.099 0.000 0.773 253 S HN 0.186 nan 8.310 nan 0.000 0.504 254 I N 1.739 122.225 120.570 -0.139 0.000 2.306 254 I HA 0.198 4.368 4.170 -0.001 0.000 0.288 254 I C 0.508 176.587 176.117 -0.064 0.000 1.036 254 I CA 0.045 61.254 61.300 -0.153 0.000 1.221 254 I CB 1.046 38.908 38.000 -0.231 0.000 1.385 254 I HN 0.116 nan 8.210 nan 0.000 0.472 255 E N 4.879 125.057 120.200 -0.036 0.000 2.601 255 E HA 0.194 4.543 4.350 -0.001 0.000 0.219 255 E C -0.499 176.107 176.600 0.009 0.000 0.964 255 E CA -0.090 56.315 56.400 0.008 0.000 1.050 255 E CB 0.859 30.573 29.700 0.024 0.000 1.068 255 E HN 0.783 nan 8.360 nan 0.000 0.496 256 C N -3.846 115.448 119.300 -0.009 0.000 3.253 256 C HA 0.232 4.691 4.460 -0.001 0.000 0.342 256 C C 1.570 176.562 174.990 0.002 0.000 1.306 256 C CA -0.950 58.070 59.018 0.003 0.000 1.207 256 C CB 0.375 28.123 27.740 0.013 0.000 1.479 256 C HN -0.041 nan 8.230 nan 0.000 0.469 257 V N 1.176 121.102 119.914 0.020 0.000 2.332 257 V HA -0.180 3.940 4.120 -0.001 0.000 0.248 257 V C 2.501 178.638 176.094 0.071 0.000 1.055 257 V CA 2.813 65.138 62.300 0.043 0.000 1.038 257 V CB -0.805 31.046 31.823 0.046 0.000 0.651 257 V HN 0.995 nan 8.190 nan 0.000 0.450 258 E N 0.040 120.281 120.200 0.067 0.000 2.153 258 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 258 E C 1.925 178.597 176.600 0.120 0.000 0.988 258 E CA 1.286 57.753 56.400 0.112 0.000 0.811 258 E CB -0.329 29.419 29.700 0.079 0.000 0.746 258 E HN 0.573 nan 8.360 nan 0.000 0.466 259 D N 0.084 120.507 120.400 0.040 0.000 2.144 259 D HA -0.129 4.511 4.640 -0.001 0.000 0.199 259 D C 1.847 178.111 176.300 -0.060 0.000 0.984 259 D CA 1.352 55.343 54.000 -0.016 0.000 0.834 259 D CB -0.313 40.449 40.800 -0.063 0.000 0.955 259 D HN 0.217 nan 8.370 nan 0.000 0.465 260 A N 0.543 123.328 122.820 -0.058 0.000 1.883 260 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 260 A C 2.128 179.810 177.584 0.164 0.000 1.186 260 A CA 1.249 53.243 52.037 -0.072 0.000 0.624 260 A CB -1.038 17.997 19.000 0.058 0.000 0.822 260 A HN 0.282 nan 8.150 nan 0.000 0.444 261 F N 1.373 121.376 119.950 0.089 0.000 2.102 261 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 261 F C 1.868 177.722 175.800 0.089 0.000 1.105 261 F CA 2.150 60.211 58.000 0.101 0.000 1.239 261 F CB -0.762 38.275 39.000 0.062 0.000 0.991 261 F HN 0.317 nan 8.300 nan 0.000 0.474 262 N N 0.367 118.965 118.700 -0.169 0.000 2.120 262 N HA -0.182 4.558 4.740 -0.001 0.000 0.188 262 N C 1.934 177.324 175.510 -0.201 0.000 1.024 262 N CA 1.633 54.535 53.050 -0.247 0.000 0.852 262 N CB -0.286 38.185 38.487 -0.028 0.000 1.003 262 N HN 0.317 nan 8.380 nan 0.000 0.424 263 L N 0.326 121.496 121.223 -0.088 0.000 2.046 263 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 263 L C 2.485 179.403 176.870 0.079 0.000 1.077 263 L CA 0.968 55.811 54.840 0.005 0.000 0.747 263 L CB -0.538 41.510 42.059 -0.017 0.000 0.896 263 L HN 0.240 nan 8.230 nan 0.000 0.432 264 A N 0.057 122.945 122.820 0.112 0.000 1.898 264 A HA -0.226 4.094 4.320 -0.001 0.000 0.216 264 A C 2.438 179.931 177.584 -0.152 0.000 1.181 264 A CA 1.602 53.646 52.037 0.013 0.000 0.620 264 A CB -0.547 18.466 19.000 0.023 0.000 0.819 264 A HN 0.347 nan 8.150 nan 0.000 0.442 265 R N 0.046 120.327 120.500 -0.366 0.000 2.073 265 R HA -0.170 4.169 4.340 -0.001 0.000 0.234 265 R C 1.867 178.067 176.300 -0.166 0.000 1.134 265 R CA 1.932 57.821 56.100 -0.352 0.000 0.952 265 R CB -0.273 29.668 30.300 -0.599 0.000 0.850 265 R HN 0.668 nan 8.270 nan 0.000 0.433 266 E N -1.204 118.915 120.200 -0.135 0.000 2.216 266 E HA 0.025 4.375 4.350 -0.001 0.000 0.192 266 E C 0.659 177.234 176.600 -0.042 0.000 0.988 266 E CA 0.592 56.951 56.400 -0.069 0.000 0.834 266 E CB 0.236 29.905 29.700 -0.052 0.000 0.772 266 E HN 0.638 nan 8.360 nan 0.000 0.479 267 G N 0.772 109.551 108.800 -0.034 0.000 2.255 267 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.239 267 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.239 267 G C 0.642 175.543 174.900 0.002 0.000 1.083 267 G CA 0.183 45.272 45.100 -0.019 0.000 0.826 267 G HN 0.376 nan 8.290 nan 0.000 0.493 268 A N -1.262 121.575 122.820 0.029 0.000 2.169 268 A HA 0.783 5.103 4.320 -0.001 0.000 0.212 268 A C 1.393 179.012 177.584 0.057 0.000 1.153 268 A CA 1.826 53.884 52.037 0.036 0.000 0.756 268 A CB 0.143 19.160 19.000 0.028 0.000 0.813 268 A HN 2.424 nan 8.150 nan 0.000 0.471 269 A N -1.391 121.485 122.820 0.093 0.000 2.594 269 A HA 0.534 4.853 4.320 -0.001 0.000 0.296 269 A C 0.440 178.018 177.584 -0.010 0.000 1.056 269 A CA 0.309 52.390 52.037 0.074 0.000 0.693 269 A CB -0.016 19.094 19.000 0.182 0.000 1.278 269 A HN 0.793 nan 8.150 nan 0.000 0.408 270 S N -0.337 115.311 115.700 -0.086 0.000 2.556 270 S HA 0.436 4.906 4.470 -0.001 0.000 0.216 270 S C 0.176 174.654 174.600 -0.204 0.000 0.970 270 S CA 0.486 58.601 58.200 -0.141 0.000 0.912 270 S CB -0.165 62.975 63.200 -0.100 0.000 0.790 270 S HN 1.220 nan 8.310 nan 0.000 0.504 271 V N 2.008 121.801 119.914 -0.202 0.000 2.808 271 V HA 0.561 4.680 4.120 -0.001 0.000 0.308 271 V C -1.524 174.621 176.094 0.085 0.000 1.099 271 V CA -0.860 61.317 62.300 -0.205 0.000 0.920 271 V CB 1.831 33.347 31.823 -0.511 0.000 1.014 271 V HN 0.261 nan 8.190 nan 0.000 0.425 272 F N 2.219 122.136 119.950 -0.055 0.000 2.482 272 F HA 0.805 5.331 4.527 -0.001 0.000 0.331 272 F C 0.571 176.390 175.800 0.033 0.000 1.115 272 F CA -1.544 56.444 58.000 -0.019 0.000 0.955 272 F CB 1.855 40.861 39.000 0.010 0.000 1.136 272 F HN 0.599 nan 8.300 nan 0.000 0.452 273 A N 4.692 127.642 122.820 0.217 0.000 2.363 273 A HA 0.662 4.981 4.320 -0.001 0.000 0.270 273 A C -0.662 177.013 177.584 0.152 0.000 1.121 273 A CA -0.434 51.747 52.037 0.240 0.000 0.800 273 A CB 0.193 19.319 19.000 0.210 0.000 1.052 273 A HN 0.735 nan 8.150 nan 0.000 0.493 274 L N 2.920 124.210 121.223 0.111 0.000 2.276 274 L HA 0.403 4.743 4.340 -0.001 0.000 0.286 274 L C -0.144 176.834 176.870 0.179 0.000 1.024 274 L CA -0.133 54.784 54.840 0.128 0.000 0.826 274 L CB 1.173 43.310 42.059 0.130 0.000 1.211 274 L HN 0.678 nan 8.230 nan 0.000 0.422 275 K N 4.081 124.542 120.400 0.102 0.000 2.463 275 K HA 0.329 4.648 4.320 -0.001 0.000 0.255 275 K C 1.087 177.661 176.600 -0.042 0.000 0.942 275 K CA -0.516 55.792 56.287 0.035 0.000 0.814 275 K CB 2.582 35.059 32.500 -0.037 0.000 1.122 275 K HN 0.588 nan 8.250 nan 0.000 0.425 276 I N -0.213 120.315 120.570 -0.071 0.000 2.335 276 I HA -0.223 3.946 4.170 -0.001 0.000 0.251 276 I C 1.876 177.863 176.117 -0.217 0.000 1.129 276 I CA 1.492 62.718 61.300 -0.124 0.000 1.402 276 I CB -0.242 37.669 38.000 -0.148 0.000 1.069 276 I HN 0.541 nan 8.210 nan 0.000 0.424 277 A N 1.760 124.359 122.820 -0.368 0.000 1.933 277 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 277 A C 2.293 179.448 177.584 -0.715 0.000 1.175 277 A CA 1.426 53.010 52.037 -0.755 0.000 0.628 277 A CB -0.391 17.808 19.000 -1.335 0.000 0.814 277 A HN 0.384 nan 8.150 nan 0.000 0.444 278 K N 0.009 120.165 120.400 -0.405 0.000 2.296 278 K HA 0.041 4.361 4.320 -0.001 0.000 0.200 278 K C 0.953 177.510 176.600 -0.072 0.000 1.048 278 K CA 0.717 56.910 56.287 -0.157 0.000 0.966 278 K CB -0.236 32.223 32.500 -0.069 0.000 0.754 278 K HN 0.514 nan 8.250 nan 0.000 0.466 279 N N -0.226 118.426 118.700 -0.082 0.000 2.388 279 N HA -0.005 4.734 4.740 -0.001 0.000 0.176 279 N C 0.677 176.168 175.510 -0.030 0.000 1.062 279 N CA 0.914 53.943 53.050 -0.034 0.000 0.895 279 N CB 1.117 39.596 38.487 -0.013 0.000 1.018 279 N HN 0.306 nan 8.380 nan 0.000 0.456 280 G N 0.382 109.147 108.800 -0.059 0.000 2.145 280 G HA2 0.083 4.043 3.960 -0.001 0.000 0.176 280 G HA3 0.083 4.043 3.960 -0.001 0.000 0.176 280 G C 0.244 175.119 174.900 -0.041 0.000 1.013 280 G CA 0.050 45.127 45.100 -0.037 0.000 0.689 280 G HN 0.675 nan 8.290 nan 0.000 0.506 281 G N -1.667 107.093 108.800 -0.066 0.000 2.440 281 G HA2 0.372 4.332 3.960 -0.001 0.000 0.684 281 G HA3 0.372 4.332 3.960 -0.001 0.000 0.684 281 G C -1.323 173.542 174.900 -0.059 0.000 1.309 281 G CA 0.128 45.191 45.100 -0.063 0.000 0.931 281 G HN 0.321 nan 8.290 nan 0.000 0.612 282 P HA -0.097 nan 4.420 nan 0.000 0.216 282 P C 2.042 179.327 177.300 -0.025 0.000 1.153 282 P CA 1.653 64.710 63.100 -0.072 0.000 0.858 282 P CB 0.013 31.660 31.700 -0.088 0.000 0.789 283 R N -0.515 119.974 120.500 -0.018 0.000 2.073 283 R HA -0.059 4.280 4.340 -0.001 0.000 0.234 283 R C 2.344 178.652 176.300 0.013 0.000 1.134 283 R CA 1.619 57.719 56.100 0.001 0.000 0.952 283 R CB -1.192 29.106 30.300 -0.003 0.000 0.850 283 R HN 0.142 nan 8.270 nan 0.000 0.433 284 A N 0.456 123.280 122.820 0.007 0.000 1.933 284 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 284 A C 2.133 179.737 177.584 0.033 0.000 1.175 284 A CA 1.829 53.876 52.037 0.016 0.000 0.628 284 A CB -0.730 18.273 19.000 0.004 0.000 0.814 284 A HN 0.283 nan 8.150 nan 0.000 0.444 285 T N 0.450 115.023 114.554 0.033 0.000 2.788 285 T HA -0.053 4.297 4.350 -0.001 0.000 0.268 285 T C 1.692 176.455 174.700 0.106 0.000 1.044 285 T CA 1.320 63.464 62.100 0.072 0.000 1.139 285 T CB -0.319 68.596 68.868 0.079 0.000 0.867 285 T HN 0.379 nan 8.240 nan 0.000 0.454 286 L N 0.221 121.495 121.223 0.085 0.000 2.291 286 L HA 0.025 4.365 4.340 -0.001 0.000 0.214 286 L C 2.817 179.737 176.870 0.084 0.000 1.120 286 L CA 0.954 55.850 54.840 0.093 0.000 0.799 286 L CB -0.356 41.745 42.059 0.070 0.000 0.925 286 L HN 0.162 nan 8.230 nan 0.000 0.446 287 R N -0.848 119.694 120.500 0.071 0.000 2.090 287 R HA -0.069 4.270 4.340 -0.001 0.000 0.228 287 R C 2.244 178.603 176.300 0.098 0.000 1.110 287 R CA 1.521 57.663 56.100 0.070 0.000 0.973 287 R CB -0.453 29.878 30.300 0.051 0.000 0.869 287 R HN 0.240 nan 8.270 nan 0.000 0.440 288 T N 1.114 115.733 114.554 0.108 0.000 2.746 288 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 288 T C 1.904 176.718 174.700 0.191 0.000 1.039 288 T CA 1.458 63.647 62.100 0.148 0.000 1.142 288 T CB -0.159 68.781 68.868 0.120 0.000 0.866 288 T HN 0.361 nan 8.240 nan 0.000 0.444 289 A N 1.300 124.216 122.820 0.159 0.000 1.933 289 A HA 0.156 4.476 4.320 -0.001 0.000 0.218 289 A C 2.620 180.273 177.584 0.114 0.000 1.175 289 A CA 1.806 53.931 52.037 0.146 0.000 0.628 289 A CB -1.025 18.055 19.000 0.132 0.000 0.814 289 A HN 0.504 nan 8.150 nan 0.000 0.444 290 A N -0.049 122.833 122.820 0.103 0.000 1.902 290 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 290 A C 2.113 179.753 177.584 0.093 0.000 1.181 290 A CA 1.531 53.618 52.037 0.082 0.000 0.623 290 A CB -0.582 18.460 19.000 0.070 0.000 0.818 290 A HN 0.504 nan 8.150 nan 0.000 0.443 291 I N -0.353 120.295 120.570 0.131 0.000 2.202 291 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 291 I C 2.997 179.193 176.117 0.131 0.000 1.091 291 I CA 1.018 62.419 61.300 0.168 0.000 1.368 291 I CB -0.374 37.774 38.000 0.246 0.000 1.058 291 I HN 0.355 nan 8.210 nan 0.000 0.410 292 A N 0.692 123.587 122.820 0.125 0.000 1.883 292 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 292 A C 2.197 179.740 177.584 -0.069 0.000 1.186 292 A CA 1.892 53.893 52.037 -0.060 0.000 0.624 292 A CB -0.691 18.274 19.000 -0.060 0.000 0.822 292 A HN 0.464 nan 8.150 nan 0.000 0.444 293 E N -0.226 119.974 120.200 -0.000 0.000 2.085 293 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 293 E C 2.217 178.819 176.600 0.003 0.000 0.994 293 E CA 1.040 57.441 56.400 0.001 0.000 0.801 293 E CB -0.327 29.388 29.700 0.025 0.000 0.743 293 E HN 0.623 nan 8.360 nan 0.000 0.453 294 A N 1.084 123.919 122.820 0.025 0.000 2.067 294 A HA 0.003 4.323 4.320 -0.001 0.000 0.219 294 A C 2.200 179.797 177.584 0.021 0.000 1.158 294 A CA 1.418 53.474 52.037 0.033 0.000 0.661 294 A CB -0.252 18.784 19.000 0.059 0.000 0.801 294 A HN 0.265 nan 8.150 nan 0.000 0.452 295 A N -2.011 120.808 122.820 -0.002 0.000 2.308 295 A HA 0.445 4.765 4.320 -0.001 0.000 0.217 295 A C 1.657 179.205 177.584 -0.061 0.000 1.216 295 A CA 1.043 53.062 52.037 -0.029 0.000 0.864 295 A CB -0.674 18.293 19.000 -0.055 0.000 0.902 295 A HN 1.800 nan 8.150 nan 0.000 0.499 296 G N -0.508 108.258 108.800 -0.057 0.000 2.147 296 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.244 296 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.244 296 G C 0.035 174.882 174.900 -0.088 0.000 1.005 296 G CA 0.339 45.408 45.100 -0.052 0.000 0.713 296 G HN 0.461 nan 8.290 nan 0.000 0.515 297 I N 1.349 121.819 120.570 -0.167 0.000 2.396 297 I HA 0.496 4.665 4.170 -0.001 0.000 0.292 297 I C 1.424 177.445 176.117 -0.160 0.000 0.999 297 I CA -0.251 60.885 61.300 -0.273 0.000 1.310 297 I CB 1.325 38.923 38.000 -0.670 0.000 1.404 297 I HN 0.148 nan 8.210 nan 0.000 0.496 298 G N 6.419 115.189 108.800 -0.050 0.000 2.594 298 G HA2 0.473 4.433 3.960 -0.001 0.000 0.243 298 G HA3 0.473 4.433 3.960 -0.001 0.000 0.243 298 G C -0.514 174.462 174.900 0.127 0.000 1.229 298 G CA -0.486 44.699 45.100 0.141 0.000 0.843 298 G HN 0.457 nan 8.290 nan 0.000 0.578 299 L N 0.100 121.450 121.223 0.211 0.000 2.342 299 L HA 0.535 4.875 4.340 -0.001 0.000 0.271 299 L C -1.014 176.008 176.870 0.255 0.000 1.008 299 L CA -1.076 53.865 54.840 0.168 0.000 0.818 299 L CB 2.221 44.320 42.059 0.067 0.000 1.296 299 L HN 0.571 nan 8.230 nan 0.000 0.427 300 Y N 0.273 120.570 120.300 -0.004 0.000 2.433 300 Y HA 0.594 5.143 4.550 -0.001 0.000 0.337 300 Y C 0.073 175.817 175.900 -0.260 0.000 1.026 300 Y CA -0.929 57.141 58.100 -0.049 0.000 1.037 300 Y CB 2.160 40.635 38.460 0.025 0.000 1.245 300 Y HN 0.535 nan 8.280 nan 0.000 0.443 301 G N 3.498 111.791 108.800 -0.846 0.000 2.391 301 G HA2 0.459 4.418 3.960 -0.001 0.000 0.305 301 G HA3 0.459 4.418 3.960 -0.001 0.000 0.305 301 G C 0.100 174.584 174.900 -0.693 0.000 1.072 301 G CA 0.071 44.487 45.100 -1.139 0.000 1.016 301 G HN 0.967 nan 8.290 nan 0.000 0.418 302 G N 0.306 108.942 108.800 -0.273 0.000 2.522 302 G HA2 0.622 4.582 3.960 -0.001 0.000 0.304 302 G HA3 0.622 4.582 3.960 -0.001 0.000 0.304 302 G C -0.483 174.399 174.900 -0.031 0.000 1.210 302 G CA -0.296 44.730 45.100 -0.123 0.000 0.960 302 G HN 0.715 nan 8.290 nan 0.000 0.497 303 T N -0.792 113.709 114.554 -0.088 0.000 2.883 303 T HA 0.458 4.807 4.350 -0.001 0.000 0.301 303 T C -0.061 174.562 174.700 -0.128 0.000 1.158 303 T CA -0.673 61.350 62.100 -0.129 0.000 1.007 303 T CB 1.475 70.191 68.868 -0.253 0.000 1.186 303 T HN 0.186 nan 8.240 nan 0.000 0.499 304 M N 3.596 123.129 119.600 -0.112 0.000 2.685 304 M HA 0.402 4.882 4.480 -0.001 0.000 0.355 304 M C 0.336 176.584 176.300 -0.086 0.000 1.197 304 M CA 0.078 55.340 55.300 -0.065 0.000 0.947 304 M CB -0.944 31.673 32.600 0.028 0.000 1.346 304 M HN 0.719 nan 8.290 nan 0.000 0.516 305 L N 0.266 121.392 121.223 -0.161 0.000 3.730 305 L HA -0.254 4.085 4.340 -0.001 0.000 0.410 305 L C -0.185 176.639 176.870 -0.077 0.000 1.234 305 L CA 0.183 54.929 54.840 -0.156 0.000 0.911 305 L CB -1.857 40.131 42.059 -0.118 0.000 1.942 305 L HN 0.302 nan 8.230 nan 0.000 0.860 306 E N 0.273 120.432 120.200 -0.069 0.000 2.408 306 E HA 0.405 4.755 4.350 -0.001 0.000 0.259 306 E C 1.048 177.644 176.600 -0.006 0.000 1.110 306 E CA 0.793 57.176 56.400 -0.028 0.000 0.929 306 E CB 0.464 30.142 29.700 -0.037 0.000 0.971 306 E HN 0.276 nan 8.360 nan 0.000 0.438 307 G N -0.020 108.786 108.800 0.010 0.000 2.494 307 G HA2 0.258 4.217 3.960 -0.001 0.000 0.270 307 G HA3 0.258 4.217 3.960 -0.001 0.000 0.270 307 G C 1.017 175.943 174.900 0.045 0.000 1.423 307 G CA -0.214 44.904 45.100 0.031 0.000 1.055 307 G HN 0.565 nan 8.290 nan 0.000 0.536 308 G N -0.564 108.270 108.800 0.058 0.000 2.440 308 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.218 308 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.218 308 G C 1.710 176.629 174.900 0.033 0.000 1.154 308 G CA 1.070 46.207 45.100 0.062 0.000 0.767 308 G HN 0.457 nan 8.290 nan 0.000 0.552 309 I N 1.119 121.700 120.570 0.019 0.000 2.142 309 I HA -0.101 4.068 4.170 -0.001 0.000 0.240 309 I C 3.116 179.222 176.117 -0.018 0.000 1.078 309 I CA 1.233 62.533 61.300 -0.001 0.000 1.343 309 I CB -0.590 37.409 38.000 -0.001 0.000 1.046 309 I HN 0.245 nan 8.210 nan 0.000 0.405 310 G N -0.150 108.638 108.800 -0.019 0.000 2.408 310 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 310 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 310 G C 1.655 176.520 174.900 -0.058 0.000 1.150 310 G CA 1.280 46.354 45.100 -0.045 0.000 0.776 310 G HN 0.287 nan 8.290 nan 0.000 0.542 311 T N 1.226 115.766 114.554 -0.025 0.000 2.746 311 T HA -0.013 4.337 4.350 -0.001 0.000 0.267 311 T C 2.384 177.067 174.700 -0.028 0.000 1.039 311 T CA 0.775 62.866 62.100 -0.015 0.000 1.142 311 T CB -0.161 68.738 68.868 0.051 0.000 0.866 311 T HN 0.142 nan 8.240 nan 0.000 0.444 312 L N 0.545 121.768 121.223 -0.000 0.000 2.156 312 L HA 0.036 4.376 4.340 -0.001 0.000 0.208 312 L C 2.970 179.872 176.870 0.053 0.000 1.095 312 L CA 0.789 55.661 54.840 0.053 0.000 0.770 312 L CB -0.559 41.552 42.059 0.086 0.000 0.914 312 L HN 0.232 nan 8.230 nan 0.000 0.439 313 A N -0.538 122.252 122.820 -0.049 0.000 1.933 313 A HA -0.184 4.136 4.320 -0.001 0.000 0.218 313 A C 2.500 179.970 177.584 -0.191 0.000 1.175 313 A CA 2.094 54.069 52.037 -0.104 0.000 0.628 313 A CB -0.490 18.444 19.000 -0.111 0.000 0.814 313 A HN 0.372 nan 8.150 nan 0.000 0.444 314 S N -0.092 115.438 115.700 -0.283 0.000 2.355 314 S HA 0.018 4.487 4.470 -0.001 0.000 0.222 314 S C 2.366 176.418 174.600 -0.915 0.000 1.031 314 S CA 1.077 58.890 58.200 -0.645 0.000 0.993 314 S CB -0.539 62.361 63.200 -0.500 0.000 0.859 314 S HN 0.800 nan 8.310 nan 0.000 0.453 315 A N 1.986 124.563 122.820 -0.406 0.000 1.883 315 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 315 A C 1.882 179.353 177.584 -0.188 0.000 1.186 315 A CA 1.607 53.517 52.037 -0.211 0.000 0.624 315 A CB -1.092 17.854 19.000 -0.090 0.000 0.822 315 A HN 0.589 nan 8.150 nan 0.000 0.444 316 H N -0.792 118.168 119.070 -0.183 0.000 2.422 316 H HA -0.088 4.468 4.556 -0.001 0.000 0.298 316 H C 2.511 177.774 175.328 -0.108 0.000 1.098 316 H CA 1.411 57.391 56.048 -0.113 0.000 1.315 316 H CB -0.114 29.590 29.762 -0.097 0.000 1.382 316 H HN 0.569 nan 8.280 nan 0.000 0.523 317 A N 0.971 123.729 122.820 -0.104 0.000 1.897 317 A HA -0.114 4.206 4.320 -0.001 0.000 0.215 317 A C 1.941 179.569 177.584 0.072 0.000 1.181 317 A CA 0.929 52.922 52.037 -0.072 0.000 0.620 317 A CB -0.689 18.203 19.000 -0.179 0.000 0.821 317 A HN 0.173 nan 8.150 nan 0.000 0.443 318 F N 0.422 120.370 119.950 -0.002 0.000 2.269 318 F HA -0.032 4.494 4.527 -0.001 0.000 0.301 318 F C 1.932 177.719 175.800 -0.023 0.000 1.082 318 F CA 0.084 58.075 58.000 -0.015 0.000 1.360 318 F CB -1.044 37.937 39.000 -0.033 0.000 1.041 318 F HN 0.099 nan 8.300 nan 0.000 0.512 319 L N -0.126 121.169 121.223 0.119 0.000 2.275 319 L HA -0.164 4.176 4.340 -0.001 0.000 0.215 319 L C 2.335 179.233 176.870 0.046 0.000 1.119 319 L CA 1.707 56.571 54.840 0.040 0.000 0.790 319 L CB -1.074 40.955 42.059 -0.049 0.000 0.919 319 L HN 0.280 nan 8.230 nan 0.000 0.443 320 T N -2.949 111.646 114.554 0.067 0.000 3.081 320 T HA 0.129 4.479 4.350 -0.001 0.000 0.255 320 T C 0.777 175.514 174.700 0.062 0.000 1.113 320 T CA -0.183 61.951 62.100 0.057 0.000 1.082 320 T CB -0.236 68.666 68.868 0.056 0.000 0.939 320 T HN 0.059 nan 8.240 nan 0.000 0.506 321 L N 2.782 124.055 121.223 0.083 0.000 2.410 321 L HA 0.294 4.634 4.340 -0.001 0.000 0.273 321 L C 1.895 178.789 176.870 0.041 0.000 1.152 321 L CA -0.495 54.386 54.840 0.068 0.000 0.855 321 L CB 0.387 42.493 42.059 0.078 0.000 1.129 321 L HN 0.135 nan 8.230 nan 0.000 0.463 322 N N 2.719 121.438 118.700 0.032 0.000 2.061 322 N HA -0.168 4.571 4.740 -0.001 0.000 0.193 322 N C 0.159 175.675 175.510 0.010 0.000 1.030 322 N CA 1.677 54.738 53.050 0.019 0.000 0.856 322 N CB 0.262 38.759 38.487 0.016 0.000 1.023 322 N HN 0.599 nan 8.380 nan 0.000 0.424 323 K N -0.708 119.697 120.400 0.009 0.000 2.525 323 K HA 0.334 4.654 4.320 -0.001 0.000 0.254 323 K C -1.722 174.875 176.600 -0.005 0.000 0.934 323 K CA -0.515 55.769 56.287 -0.005 0.000 0.802 323 K CB 0.984 33.476 32.500 -0.013 0.000 1.295 323 K HN 0.018 nan 8.250 nan 0.000 0.433 324 L N 3.835 125.044 121.223 -0.023 0.000 2.581 324 L HA 0.217 4.557 4.340 -0.001 0.000 0.241 324 L C 0.719 177.565 176.870 -0.039 0.000 1.265 324 L CA -0.190 54.633 54.840 -0.027 0.000 0.954 324 L CB 1.317 43.335 42.059 -0.069 0.000 1.269 324 L HN 0.747 nan 8.230 nan 0.000 0.475 325 S N 0.506 116.174 115.700 -0.054 0.000 2.407 325 S HA -0.188 4.281 4.470 -0.001 0.000 0.235 325 S C 0.830 175.126 174.600 -0.506 0.000 1.036 325 S CA 1.831 59.872 58.200 -0.265 0.000 1.013 325 S CB -0.152 62.886 63.200 -0.269 0.000 0.820 325 S HN 0.650 nan 8.310 nan 0.000 0.476 326 W N 1.983 123.307 121.300 0.040 0.000 3.102 326 W HA 0.304 4.963 4.660 -0.001 0.000 0.401 326 W C 0.211 176.851 176.519 0.201 0.000 1.070 326 W CA -0.529 56.875 57.345 0.097 0.000 1.921 326 W CB -0.258 29.247 29.460 0.076 0.000 1.118 326 W HN 0.132 nan 8.180 nan 0.000 0.647 327 D N -0.543 119.949 120.400 0.154 0.000 3.496 327 D HA -0.199 4.441 4.640 -0.001 0.000 0.238 327 D C 0.343 176.592 176.300 -0.084 0.000 1.707 327 D CA 1.712 55.741 54.000 0.049 0.000 1.150 327 D CB -1.072 39.766 40.800 0.063 0.000 0.759 327 D HN 0.124 nan 8.370 nan 0.000 0.936 328 T N -2.692 111.768 114.554 -0.157 0.000 2.812 328 T HA 0.602 4.952 4.350 -0.001 0.000 0.294 328 T C -0.593 173.979 174.700 -0.214 0.000 1.159 328 T CA -0.336 61.515 62.100 -0.415 0.000 1.008 328 T CB 2.213 70.954 68.868 -0.212 0.000 1.289 328 T HN 0.624 nan 8.240 nan 0.000 0.514 329 E N 1.106 121.143 120.200 -0.273 0.000 3.385 329 E HA 0.304 4.653 4.350 -0.001 0.000 0.206 329 E C -0.143 176.364 176.600 -0.155 0.000 0.997 329 E CA -0.535 55.867 56.400 0.003 0.000 1.278 329 E CB -0.056 29.674 29.700 0.050 0.000 1.165 329 E HN 0.507 nan 8.360 nan 0.000 0.452 330 L N 2.320 123.553 121.223 0.016 0.000 2.533 330 L HA 0.198 4.537 4.340 -0.001 0.000 0.239 330 L C 0.037 177.044 176.870 0.229 0.000 1.376 330 L CA -0.264 54.607 54.840 0.052 0.000 1.240 330 L CB -0.762 41.388 42.059 0.152 0.000 1.487 330 L HN 0.428 nan 8.230 nan 0.000 0.419 331 F N -2.713 117.345 119.950 0.180 0.000 2.653 331 F HA 0.418 4.945 4.527 -0.001 0.000 0.304 331 F C 1.706 177.574 175.800 0.113 0.000 1.092 331 F CA -0.609 57.489 58.000 0.163 0.000 1.279 331 F CB -0.823 38.310 39.000 0.221 0.000 1.044 331 F HN 0.082 nan 8.300 nan 0.000 0.564 332 G N 2.322 111.072 108.800 -0.083 0.000 2.574 332 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.220 332 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.220 332 G C -0.622 174.357 174.900 0.131 0.000 1.173 332 G CA 1.309 46.400 45.100 -0.016 0.000 0.772 332 G HN 0.320 nan 8.290 nan 0.000 0.585 333 P HA -0.020 nan 4.420 nan 0.000 0.219 333 P C 1.813 179.216 177.300 0.172 0.000 1.146 333 P CA 0.634 63.843 63.100 0.183 0.000 0.808 333 P CB -0.118 31.749 31.700 0.277 0.000 0.779 334 L N -1.793 119.538 121.223 0.180 0.000 2.551 334 L HA -0.051 4.289 4.340 -0.001 0.000 0.228 334 L C 1.914 178.932 176.870 0.246 0.000 1.153 334 L CA 0.699 55.637 54.840 0.164 0.000 0.851 334 L CB -0.568 41.578 42.059 0.145 0.000 0.959 334 L HN 0.028 nan 8.230 nan 0.000 0.451 335 L N -0.600 120.765 121.223 0.237 0.000 2.477 335 L HA 0.099 4.438 4.340 -0.001 0.000 0.220 335 L C 0.629 177.562 176.870 0.106 0.000 1.106 335 L CA -0.011 54.940 54.840 0.185 0.000 0.851 335 L CB 0.092 42.243 42.059 0.153 0.000 0.994 335 L HN 0.162 nan 8.230 nan 0.000 0.462 336 L N 0.235 121.508 121.223 0.083 0.000 2.290 336 L HA 0.133 4.473 4.340 -0.001 0.000 0.284 336 L C 1.628 178.516 176.870 0.030 0.000 1.078 336 L CA -0.267 54.591 54.840 0.030 0.000 0.815 336 L CB 1.336 43.397 42.059 0.004 0.000 1.162 336 L HN 0.118 nan 8.230 nan 0.000 0.435 337 T N -1.079 113.482 114.554 0.012 0.000 3.035 337 T HA 0.064 4.413 4.350 -0.001 0.000 0.268 337 T C 0.494 175.205 174.700 0.018 0.000 1.109 337 T CA 0.579 62.696 62.100 0.028 0.000 1.119 337 T CB 0.026 68.918 68.868 0.040 0.000 0.900 337 T HN 0.651 nan 8.240 nan 0.000 0.503 338 E N 0.041 120.216 120.200 -0.041 0.000 2.354 338 E HA 0.404 4.753 4.350 -0.001 0.000 0.283 338 E C -1.635 174.886 176.600 -0.131 0.000 0.938 338 E CA -0.785 55.583 56.400 -0.053 0.000 0.777 338 E CB 2.017 31.703 29.700 -0.024 0.000 1.222 338 E HN 0.071 nan 8.360 nan 0.000 0.423 339 D N 1.170 121.546 120.400 -0.039 0.000 2.525 339 D HA 0.409 5.049 4.640 -0.001 0.000 0.249 339 D C 0.526 176.843 176.300 0.028 0.000 1.072 339 D CA -0.586 53.398 54.000 -0.027 0.000 1.067 339 D CB 1.457 42.272 40.800 0.026 0.000 1.282 339 D HN 0.528 nan 8.370 nan 0.000 0.587 340 I N -0.872 119.729 120.570 0.050 0.000 3.904 340 I HA 0.303 4.473 4.170 -0.001 0.000 0.333 340 I C -0.076 176.090 176.117 0.083 0.000 1.361 340 I CA -0.219 61.143 61.300 0.103 0.000 1.116 340 I CB -0.019 38.044 38.000 0.104 0.000 1.028 340 I HN -0.102 nan 8.210 nan 0.000 0.398 341 L N 1.276 122.539 121.223 0.066 0.000 2.325 341 L HA 0.542 4.882 4.340 -0.001 0.000 0.279 341 L C 1.585 178.490 176.870 0.057 0.000 1.054 341 L CA -0.414 54.460 54.840 0.056 0.000 0.804 341 L CB 1.733 43.822 42.059 0.050 0.000 1.200 341 L HN 0.144 nan 8.230 nan 0.000 0.436 342 A N 2.159 125.008 122.820 0.048 0.000 1.898 342 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 342 A C 0.807 178.415 177.584 0.040 0.000 1.181 342 A CA 1.260 53.323 52.037 0.043 0.000 0.620 342 A CB -0.111 18.909 19.000 0.034 0.000 0.819 342 A HN 0.730 nan 8.150 nan 0.000 0.442 343 E N 0.057 120.280 120.200 0.039 0.000 2.216 343 E HA 0.423 4.773 4.350 -0.001 0.000 0.260 343 E C -2.696 173.932 176.600 0.046 0.000 0.880 343 E CA -2.474 53.948 56.400 0.038 0.000 0.765 343 E CB 1.883 31.600 29.700 0.028 0.000 1.174 343 E HN 0.245 nan 8.360 nan 0.000 0.417 344 P HA 0.294 nan 4.420 nan 0.000 0.274 344 P C -2.407 174.935 177.300 0.070 0.000 1.246 344 P CA -1.248 61.902 63.100 0.083 0.000 0.795 344 P CB -0.002 31.764 31.700 0.111 0.000 1.006 345 P HA 0.081 nan 4.420 nan 0.000 0.270 345 P C -0.677 176.574 177.300 -0.081 0.000 1.223 345 P CA -0.047 63.031 63.100 -0.037 0.000 0.785 345 P CB 0.251 31.901 31.700 -0.083 0.000 0.923 346 V N 3.112 122.927 119.914 -0.163 0.000 2.364 346 V HA 0.207 4.327 4.120 -0.001 0.000 0.272 346 V C -0.561 175.438 176.094 -0.159 0.000 1.036 346 V CA -0.145 62.104 62.300 -0.085 0.000 0.880 346 V CB -0.481 31.327 31.823 -0.025 0.000 0.991 346 V HN 0.393 nan 8.190 nan 0.000 0.460 347 Y N 4.594 124.963 120.300 0.115 0.000 2.335 347 Y HA 0.777 5.326 4.550 -0.001 0.000 0.338 347 Y C 0.314 176.257 175.900 0.071 0.000 0.977 347 Y CA -0.595 57.579 58.100 0.122 0.000 1.114 347 Y CB 1.678 40.175 38.460 0.061 0.000 1.182 347 Y HN 0.569 nan 8.280 nan 0.000 0.463 348 R N 2.164 122.834 120.500 0.283 0.000 2.604 348 R HA 0.199 4.539 4.340 -0.001 0.000 0.261 348 R C -1.728 174.665 176.300 0.155 0.000 1.080 348 R CA -0.543 55.620 56.100 0.104 0.000 0.917 348 R CB 1.223 31.481 30.300 -0.070 0.000 1.252 348 R HN 0.802 nan 8.270 nan 0.000 0.456 349 D N 5.022 125.355 120.400 -0.112 0.000 2.803 349 D HA -0.215 4.424 4.640 -0.001 0.000 0.233 349 D C -0.334 175.982 176.300 0.028 0.000 1.182 349 D CA 1.781 55.642 54.000 -0.232 0.000 0.726 349 D CB -0.695 40.090 40.800 -0.024 0.000 0.987 349 D HN 0.614 nan 8.370 nan 0.000 0.412 350 F N -3.020 116.995 119.950 0.107 0.000 2.871 350 F HA -0.315 4.211 4.527 -0.001 0.000 0.326 350 F C 0.786 176.563 175.800 -0.038 0.000 0.675 350 F CA 1.146 59.158 58.000 0.020 0.000 1.188 350 F CB -2.095 36.926 39.000 0.034 0.000 1.567 350 F HN 0.403 nan 8.300 nan 0.000 0.325 351 H N -1.017 118.124 119.070 0.118 0.000 2.894 351 H HA 0.761 5.317 4.556 -0.001 0.000 0.368 351 H C -0.828 174.473 175.328 -0.045 0.000 1.181 351 H CA -1.189 54.851 56.048 -0.013 0.000 1.146 351 H CB 1.512 31.115 29.762 -0.264 0.000 1.839 351 H HN 0.010 nan 8.280 nan 0.000 0.557 352 L N 1.599 122.804 121.223 -0.029 0.000 2.272 352 L HA 0.386 4.726 4.340 -0.001 0.000 0.289 352 L C -1.088 175.597 176.870 -0.308 0.000 1.032 352 L CA -0.286 54.424 54.840 -0.218 0.000 0.810 352 L CB 0.274 42.223 42.059 -0.184 0.000 1.205 352 L HN 0.609 nan 8.230 nan 0.000 0.422 353 H N 3.768 122.756 119.070 -0.137 0.000 2.556 353 H HA 0.541 5.097 4.556 -0.001 0.000 0.310 353 H C -0.638 174.618 175.328 -0.119 0.000 1.057 353 H CA -0.498 55.496 56.048 -0.091 0.000 1.264 353 H CB 1.373 31.091 29.762 -0.074 0.000 1.404 353 H HN 0.443 nan 8.280 nan 0.000 0.462 354 V N 3.633 123.513 119.914 -0.056 0.000 2.383 354 V HA 0.204 4.324 4.120 -0.001 0.000 0.275 354 V C 0.576 176.631 176.094 -0.065 0.000 1.036 354 V CA -0.738 61.498 62.300 -0.107 0.000 0.889 354 V CB 1.072 32.741 31.823 -0.257 0.000 0.985 354 V HN 0.961 nan 8.190 nan 0.000 0.459 355 S N 4.508 120.197 115.700 -0.018 0.000 2.626 355 S HA 0.310 4.779 4.470 -0.001 0.000 0.257 355 S C 0.405 175.022 174.600 0.028 0.000 1.288 355 S CA -0.424 57.783 58.200 0.011 0.000 0.980 355 S CB 0.661 63.878 63.200 0.028 0.000 0.975 355 S HN 0.697 nan 8.310 nan 0.000 0.577 356 K N 0.428 120.849 120.400 0.035 0.000 2.498 356 K HA 0.356 4.676 4.320 -0.001 0.000 0.207 356 K C 0.410 177.044 176.600 0.058 0.000 1.033 356 K CA -0.119 56.198 56.287 0.050 0.000 1.138 356 K CB 0.272 32.788 32.500 0.026 0.000 0.860 356 K HN 0.669 nan 8.250 nan 0.000 0.490 357 A N 2.765 125.621 122.820 0.061 0.000 2.466 357 A HA 0.210 4.529 4.320 -0.001 0.000 0.238 357 A C -2.314 175.291 177.584 0.035 0.000 1.074 357 A CA -0.971 51.090 52.037 0.041 0.000 0.774 357 A CB -0.166 18.855 19.000 0.034 0.000 1.015 357 A HN -0.010 nan 8.150 nan 0.000 0.498 358 P HA 0.313 nan 4.420 nan 0.000 0.267 358 P C 1.083 178.359 177.300 -0.040 0.000 1.200 358 P CA 1.717 64.812 63.100 -0.008 0.000 0.772 358 P CB 0.464 32.159 31.700 -0.008 0.000 0.855 359 G N 1.923 110.678 108.800 -0.074 0.000 2.574 359 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.286 359 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.286 359 G C 0.624 175.364 174.900 -0.265 0.000 1.212 359 G CA 0.200 45.218 45.100 -0.137 0.000 0.979 359 G HN 0.501 nan 8.290 nan 0.000 0.557 360 L N 2.288 123.368 121.223 -0.238 0.000 2.591 360 L HA 0.377 4.716 4.340 -0.001 0.000 0.228 360 L C 2.171 178.994 176.870 -0.079 0.000 1.133 360 L CA 0.756 55.425 54.840 -0.285 0.000 0.880 360 L CB -0.466 41.487 42.059 -0.177 0.000 1.033 360 L HN 1.885 nan 8.230 nan 0.000 0.450 361 G N 1.610 110.385 108.800 -0.043 0.000 2.305 361 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.287 361 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.287 361 G C -0.278 174.632 174.900 0.016 0.000 1.036 361 G CA 0.704 45.811 45.100 0.013 0.000 0.887 361 G HN 0.310 nan 8.290 nan 0.000 0.505 362 L N -2.562 118.662 121.223 0.002 0.000 2.415 362 L HA 0.998 5.337 4.340 -0.001 0.000 0.256 362 L C -0.058 176.817 176.870 0.008 0.000 1.010 362 L CA -1.211 53.635 54.840 0.011 0.000 0.826 362 L CB 1.542 43.609 42.059 0.014 0.000 1.405 362 L HN 0.717 nan 8.230 nan 0.000 0.410 363 S N 0.652 116.362 115.700 0.016 0.000 2.568 363 S HA 0.829 5.299 4.470 -0.001 0.000 0.293 363 S C -0.806 173.810 174.600 0.027 0.000 1.089 363 S CA -0.761 57.450 58.200 0.018 0.000 0.945 363 S CB 1.796 65.007 63.200 0.017 0.000 1.077 363 S HN 0.720 nan 8.310 nan 0.000 0.485 364 L N 2.330 123.570 121.223 0.028 0.000 2.349 364 L HA 0.425 4.765 4.340 -0.001 0.000 0.275 364 L C 0.011 176.908 176.870 0.045 0.000 1.115 364 L CA 0.281 55.145 54.840 0.039 0.000 0.820 364 L CB 0.730 42.812 42.059 0.038 0.000 1.135 364 L HN 0.888 nan 8.230 nan 0.000 0.445 365 D N 3.689 124.125 120.400 0.060 0.000 2.456 365 D HA 0.033 4.673 4.640 -0.001 0.000 0.219 365 D C 0.670 177.013 176.300 0.073 0.000 1.126 365 D CA -0.208 53.830 54.000 0.063 0.000 0.890 365 D CB 0.868 41.714 40.800 0.077 0.000 1.025 365 D HN 0.499 nan 8.370 nan 0.000 0.511 366 E N 2.608 122.842 120.200 0.056 0.000 2.130 366 E HA -0.241 4.109 4.350 -0.001 0.000 0.196 366 E C 1.375 178.015 176.600 0.066 0.000 0.998 366 E CA 0.897 57.331 56.400 0.056 0.000 0.806 366 E CB 0.164 29.887 29.700 0.039 0.000 0.738 366 E HN 0.718 nan 8.360 nan 0.000 0.459 367 E N 0.826 121.061 120.200 0.058 0.000 2.031 367 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 367 E C 2.193 178.847 176.600 0.091 0.000 0.994 367 E CA 0.790 57.221 56.400 0.053 0.000 0.800 367 E CB 0.072 29.784 29.700 0.019 0.000 0.752 367 E HN 0.095 nan 8.360 nan 0.000 0.447 368 R N 0.041 120.617 120.500 0.127 0.000 2.120 368 R HA -0.137 4.203 4.340 -0.001 0.000 0.234 368 R C 2.533 179.033 176.300 0.333 0.000 1.123 368 R CA 0.946 57.197 56.100 0.252 0.000 0.975 368 R CB -0.276 30.212 30.300 0.314 0.000 0.866 368 R HN 0.225 nan 8.270 nan 0.000 0.446 369 L N 0.573 121.928 121.223 0.220 0.000 2.017 369 L HA -0.072 4.267 4.340 -0.001 0.000 0.208 369 L C 2.182 179.144 176.870 0.153 0.000 1.073 369 L CA 2.025 56.979 54.840 0.191 0.000 0.745 369 L CB -0.642 41.489 42.059 0.120 0.000 0.894 369 L HN 0.083 nan 8.230 nan 0.000 0.432 370 A N -1.240 121.649 122.820 0.116 0.000 1.972 370 A HA -0.239 4.081 4.320 -0.001 0.000 0.219 370 A C 2.231 179.852 177.584 0.062 0.000 1.169 370 A CA 1.814 53.897 52.037 0.077 0.000 0.635 370 A CB -1.084 17.956 19.000 0.066 0.000 0.810 370 A HN 0.573 nan 8.150 nan 0.000 0.446 371 F N -1.260 118.625 119.950 -0.107 0.000 2.234 371 F HA 0.080 4.607 4.527 -0.001 0.000 0.296 371 F C 1.458 177.044 175.800 -0.357 0.000 1.089 371 F CA 1.062 58.891 58.000 -0.285 0.000 1.343 371 F CB 0.017 38.730 39.000 -0.478 0.000 1.040 371 F HN 0.185 nan 8.300 nan 0.000 0.498 372 F N 0.915 120.893 119.950 0.046 0.000 2.746 372 F HA 0.195 4.722 4.527 -0.001 0.000 0.297 372 F C 1.025 176.796 175.800 -0.049 0.000 1.113 372 F CA -0.245 57.733 58.000 -0.038 0.000 1.367 372 F CB -0.561 38.491 39.000 0.086 0.000 1.111 372 F HN -0.239 nan 8.300 nan 0.000 0.590 373 R N 1.265 121.835 120.500 0.118 0.000 2.522 373 R HA 0.091 4.431 4.340 -0.001 0.000 0.284 373 R C 1.268 177.577 176.300 0.015 0.000 1.032 373 R CA -0.269 55.873 56.100 0.069 0.000 1.049 373 R CB 0.418 30.749 30.300 0.053 0.000 0.956 373 R HN 0.202 nan 8.270 nan 0.000 0.422 374 R N 0.894 121.406 120.500 0.021 0.000 2.127 374 R HA -0.171 4.169 4.340 -0.001 0.000 0.238 374 R C -0.238 176.054 176.300 -0.013 0.000 1.134 374 R CA 1.928 58.028 56.100 -0.001 0.000 0.975 374 R CB 0.198 30.504 30.300 0.009 0.000 0.865 374 R HN 0.841 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 -0.001 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