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 1ju4_1_A DATA FIRST_RESID 5 DATA SEQUENCE NYSVASNVMV PMRDGVRLAV DLYRPDADGP VPVLLVRNPY DKFDVFAWST DATA SEQUENCE QSTNWLEFVR DGYAVVIQDT RGLFASEGEF VPHVDDEADA EDTLSWILEQ DATA SEQUENCE AWCDGNVGMF GVSYLGVTQW QAAVSGVGGL KAIAPSMASA DLYRAPWYGP DATA SEQUENCE GGALSVEALL GWSALIGTGL ITSRSDARPE DAADFVQLAA ILNDVAGAAS DATA SEQUENCE VTPLAEQPLL GRLIPWVIDQ VVDHPDNDES WQSISLFERL GGLATPALIT DATA SEQUENCE AGWYDGFVGE SLRTFVAVKD NADARLVVGP WSHSNLTGRN ADRKFGIAAT DATA SEQUENCE YPIQEATTMH KAFFDRHLRG ETDALAGVPK VRLFVMGIDE WRDETDWPLP DATA SEQUENCE DTAYTPFYLG GSGAANTSTG GGTLSTSISG TESADTYLYD PADPVPSLGG DATA SEQUENCE TLLFHNGDNG PADQRPIHDR DDVLCYSTEV LTDPVEVTGT VSARLFVSSS DATA SEQUENCE AVDTDFTAKL VDVFPDGRAI ALCDGIVRMR YRETLVNPTL IEAGEIYEVA DATA SEQUENCE IDMLATSNVF LPGHRIMVQV SSSNFPKYDR NSNTGGVIAR EQLEEMCTAV DATA SEQUENCE NRIHRGPEHP SHIVLPIIKR 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.648 175.510 0.230 0.000 1.280 5 N CA 0.000 53.119 53.050 0.115 0.000 0.885 5 N CB 0.000 38.502 38.487 0.025 0.000 1.341 6 Y N -1.953 118.374 120.300 0.045 0.000 2.705 6 Y HA 0.848 5.399 4.550 0.000 0.000 0.332 6 Y C -0.731 175.186 175.900 0.029 0.000 1.221 6 Y CA -1.083 57.048 58.100 0.052 0.000 1.059 6 Y CB 0.855 39.376 38.460 0.102 0.000 1.298 6 Y HN 0.501 nan 8.280 nan 0.000 0.459 7 S N 0.230 116.031 115.700 0.168 0.000 2.599 7 S HA 0.896 5.366 4.470 0.000 0.000 0.294 7 S C -1.736 172.914 174.600 0.084 0.000 1.094 7 S CA -0.736 57.490 58.200 0.042 0.000 0.931 7 S CB 1.807 65.000 63.200 -0.012 0.000 1.093 7 S HN 0.889 nan 8.310 nan 0.000 0.488 8 V N 0.977 120.870 119.914 -0.037 0.000 2.531 8 V HA 0.813 4.933 4.120 0.000 0.000 0.301 8 V C -0.097 175.910 176.094 -0.146 0.000 1.034 8 V CA -0.602 61.587 62.300 -0.184 0.000 0.865 8 V CB 1.191 32.854 31.823 -0.267 0.000 0.995 8 V HN 1.255 nan 8.190 nan 0.000 0.424 9 A N 3.367 126.096 122.820 -0.152 0.000 2.303 9 A HA 0.831 5.151 4.320 0.000 0.000 0.320 9 A C 0.018 177.580 177.584 -0.037 0.000 1.192 9 A CA -0.395 51.600 52.037 -0.070 0.000 0.821 9 A CB 1.076 20.050 19.000 -0.042 0.000 1.188 9 A HN 0.720 nan 8.150 nan 0.000 0.492 10 S N 2.090 117.805 115.700 0.026 0.000 2.525 10 S HA 0.451 4.921 4.470 0.000 0.000 0.290 10 S C 0.155 174.807 174.600 0.086 0.000 1.152 10 S CA -0.632 57.637 58.200 0.115 0.000 1.072 10 S CB 0.625 63.972 63.200 0.245 0.000 1.027 10 S HN 0.747 nan 8.310 nan 0.000 0.500 11 N N 0.355 119.082 118.700 0.045 0.000 2.738 11 N HA -0.129 4.611 4.740 0.000 0.000 0.249 11 N C -0.761 174.748 175.510 -0.003 0.000 1.047 11 N CA 0.263 53.309 53.050 -0.007 0.000 0.707 11 N CB -1.499 37.007 38.487 0.031 0.000 0.937 11 N HN 0.384 nan 8.380 nan 0.000 0.545 12 V N 1.487 121.400 119.914 -0.002 0.000 2.479 12 V HA 0.083 4.203 4.120 0.000 0.000 0.281 12 V C 0.986 177.023 176.094 -0.095 0.000 1.031 12 V CA 0.189 62.493 62.300 0.007 0.000 1.038 12 V CB 0.779 32.660 31.823 0.096 0.000 0.981 12 V HN 0.152 nan 8.190 nan 0.000 0.478 13 M N 5.900 125.447 119.600 -0.088 0.000 2.113 13 M HA 0.383 4.864 4.480 0.000 0.000 0.352 13 M C -0.597 175.548 176.300 -0.259 0.000 1.170 13 M CA -0.357 54.855 55.300 -0.148 0.000 1.053 13 M CB 1.034 33.588 32.600 -0.076 0.000 1.601 13 M HN 0.301 nan 8.290 nan 0.000 0.459 14 V N 6.997 126.670 119.914 -0.402 0.000 2.347 14 V HA 0.404 4.524 4.120 0.000 0.000 0.280 14 V C -1.988 173.912 176.094 -0.323 0.000 1.021 14 V CA -1.426 60.500 62.300 -0.623 0.000 0.847 14 V CB 1.573 32.830 31.823 -0.944 0.000 0.990 14 V HN 0.617 nan 8.190 nan 0.000 0.444 15 P HA 0.327 nan 4.420 nan 0.000 0.286 15 P C -0.665 176.599 177.300 -0.060 0.000 1.269 15 P CA -0.444 62.601 63.100 -0.091 0.000 0.787 15 P CB 1.208 32.891 31.700 -0.028 0.000 0.920 16 M N 3.125 122.698 119.600 -0.045 0.000 2.245 16 M HA 0.232 4.713 4.480 0.000 0.000 0.292 16 M C 2.141 178.440 176.300 -0.002 0.000 1.176 16 M CA -0.456 54.832 55.300 -0.021 0.000 1.035 16 M CB 0.294 32.880 32.600 -0.023 0.000 1.440 16 M HN 0.422 nan 8.290 nan 0.000 0.494 17 R N 0.686 121.189 120.500 0.006 0.000 2.152 17 R HA -0.145 4.195 4.340 0.000 0.000 0.232 17 R C 0.386 176.690 176.300 0.006 0.000 1.117 17 R CA 1.834 57.941 56.100 0.011 0.000 0.981 17 R CB -0.564 29.744 30.300 0.013 0.000 0.870 17 R HN 0.669 nan 8.270 nan 0.000 0.451 18 D N -0.543 119.858 120.400 0.001 0.000 2.325 18 D HA 0.105 4.746 4.640 0.000 0.000 0.225 18 D C 1.095 177.394 176.300 -0.003 0.000 1.096 18 D CA 0.465 54.465 54.000 -0.000 0.000 0.844 18 D CB 0.383 41.182 40.800 -0.002 0.000 0.925 18 D HN 0.430 nan 8.370 nan 0.000 0.513 19 G N -0.268 108.530 108.800 -0.004 0.000 2.179 19 G HA2 -0.284 3.677 3.960 0.000 0.000 0.260 19 G HA3 -0.284 3.677 3.960 0.000 0.000 0.260 19 G C 0.250 175.141 174.900 -0.015 0.000 0.977 19 G CA 0.255 45.351 45.100 -0.007 0.000 0.641 19 G HN 0.393 nan 8.290 nan 0.000 0.533 20 V N 1.588 121.491 119.914 -0.018 0.000 2.637 20 V HA 0.406 4.526 4.120 0.000 0.000 0.296 20 V C 1.055 177.124 176.094 -0.042 0.000 1.046 20 V CA 0.038 62.322 62.300 -0.025 0.000 1.066 20 V CB 1.162 32.973 31.823 -0.021 0.000 0.968 20 V HN 0.389 nan 8.190 nan 0.000 0.483 21 R N 4.842 125.312 120.500 -0.050 0.000 2.393 21 R HA 0.613 4.953 4.340 0.000 0.000 0.310 21 R C -1.052 175.194 176.300 -0.089 0.000 0.968 21 R CA -0.643 55.410 56.100 -0.079 0.000 0.867 21 R CB 1.364 31.620 30.300 -0.074 0.000 1.124 21 R HN 0.565 nan 8.270 nan 0.000 0.450 22 L N 2.115 123.264 121.223 -0.123 0.000 2.322 22 L HA 0.539 4.880 4.340 0.000 0.000 0.279 22 L C 0.293 177.067 176.870 -0.159 0.000 1.036 22 L CA -0.952 53.814 54.840 -0.122 0.000 0.807 22 L CB 1.738 43.728 42.059 -0.115 0.000 1.226 22 L HN 0.656 nan 8.230 nan 0.000 0.433 23 A N 3.105 125.844 122.820 -0.135 0.000 2.328 23 A HA 0.633 4.953 4.320 0.000 0.000 0.284 23 A C -0.309 177.182 177.584 -0.155 0.000 1.160 23 A CA -0.428 51.522 52.037 -0.145 0.000 0.818 23 A CB 0.944 19.862 19.000 -0.137 0.000 1.087 23 A HN 0.572 nan 8.150 nan 0.000 0.504 24 V N -0.264 119.565 119.914 -0.142 0.000 2.962 24 V HA 0.760 4.880 4.120 0.000 0.000 0.313 24 V C -1.296 174.778 176.094 -0.034 0.000 1.099 24 V CA -1.067 61.181 62.300 -0.088 0.000 0.971 24 V CB 2.182 33.963 31.823 -0.071 0.000 1.028 24 V HN 0.680 nan 8.190 nan 0.000 0.430 25 D N 2.991 123.405 120.400 0.023 0.000 2.192 25 D HA 0.637 5.278 4.640 0.000 0.000 0.246 25 D C -0.598 175.754 176.300 0.087 0.000 1.042 25 D CA 0.019 54.049 54.000 0.051 0.000 0.847 25 D CB 2.062 42.932 40.800 0.118 0.000 1.186 25 D HN 0.661 nan 8.370 nan 0.000 0.461 26 L N 2.686 123.891 121.223 -0.031 0.000 2.276 26 L HA 0.331 4.671 4.340 0.000 0.000 0.286 26 L C -0.832 175.947 176.870 -0.151 0.000 1.024 26 L CA -0.910 53.900 54.840 -0.049 0.000 0.826 26 L CB 0.530 42.493 42.059 -0.159 0.000 1.211 26 L HN 0.250 nan 8.230 nan 0.000 0.422 27 Y N 3.121 123.448 120.300 0.045 0.000 2.518 27 Y HA 0.435 4.985 4.550 0.000 0.000 0.344 27 Y C 0.237 176.150 175.900 0.021 0.000 0.982 27 Y CA -0.517 57.650 58.100 0.111 0.000 1.234 27 Y CB 0.557 39.137 38.460 0.200 0.000 1.114 27 Y HN 0.428 nan 8.280 nan 0.000 0.515 28 R N 4.565 125.117 120.500 0.087 0.000 2.534 28 R HA 0.442 4.782 4.340 0.000 0.000 0.301 28 R C -2.795 173.579 176.300 0.122 0.000 0.961 28 R CA -2.159 53.941 56.100 0.001 0.000 0.871 28 R CB 1.653 31.798 30.300 -0.258 0.000 1.170 28 R HN 0.303 nan 8.270 nan 0.000 0.446 29 P HA 0.003 nan 4.420 nan 0.000 0.271 29 P C -0.937 176.434 177.300 0.118 0.000 1.218 29 P CA -0.213 62.986 63.100 0.164 0.000 0.780 29 P CB 0.671 32.449 31.700 0.131 0.000 0.901 30 D N 1.497 121.970 120.400 0.120 0.000 2.470 30 D HA 0.372 5.013 4.640 0.000 0.000 0.226 30 D C 0.453 176.791 176.300 0.063 0.000 1.196 30 D CA 0.357 54.401 54.000 0.074 0.000 0.979 30 D CB 0.025 40.859 40.800 0.057 0.000 1.059 30 D HN 0.333 nan 8.370 nan 0.000 0.515 31 A N 1.410 124.266 122.820 0.060 0.000 2.389 31 A HA 0.458 4.779 4.320 0.000 0.000 0.293 31 A C 0.446 178.057 177.584 0.045 0.000 1.186 31 A CA -0.698 51.370 52.037 0.051 0.000 0.828 31 A CB 0.998 20.030 19.000 0.053 0.000 1.369 31 A HN 0.139 nan 8.150 nan 0.000 0.446 32 D N -0.649 119.773 120.400 0.036 0.000 2.234 32 D HA 0.366 5.006 4.640 0.000 0.000 0.205 32 D C 0.866 177.185 176.300 0.033 0.000 0.962 32 D CA 1.672 55.690 54.000 0.030 0.000 0.855 32 D CB 0.176 40.988 40.800 0.020 0.000 0.951 32 D HN 0.833 nan 8.370 nan 0.000 0.500 33 G N -0.566 108.258 108.800 0.041 0.000 2.490 33 G HA2 0.384 4.344 3.960 0.000 0.000 0.308 33 G HA3 0.384 4.344 3.960 0.000 0.000 0.308 33 G C -2.807 172.128 174.900 0.057 0.000 1.286 33 G CA -0.974 44.151 45.100 0.041 0.000 0.825 33 G HN -0.159 nan 8.290 nan 0.000 0.479 34 P HA 0.486 nan 4.420 nan 0.000 0.272 34 P C -0.215 177.115 177.300 0.050 0.000 1.230 34 P CA -0.145 62.992 63.100 0.061 0.000 0.788 34 P CB 1.489 33.191 31.700 0.003 0.000 0.949 35 V N -3.183 116.782 119.914 0.084 0.000 3.102 35 V HA 0.649 4.769 4.120 0.000 0.000 0.312 35 V C -2.766 173.351 176.094 0.039 0.000 1.135 35 V CA -3.050 59.276 62.300 0.043 0.000 1.022 35 V CB 1.673 33.542 31.823 0.076 0.000 1.056 35 V HN 0.389 nan 8.190 nan 0.000 0.436 36 P HA 0.317 nan 4.420 nan 0.000 0.272 36 P C -0.828 176.568 177.300 0.160 0.000 1.223 36 P CA 0.030 63.137 63.100 0.011 0.000 0.784 36 P CB 1.345 32.976 31.700 -0.114 0.000 0.923 37 V N 3.089 123.108 119.914 0.176 0.000 2.735 37 V HA 0.440 4.560 4.120 0.000 0.000 0.310 37 V C 0.221 176.384 176.094 0.116 0.000 1.061 37 V CA -0.763 61.671 62.300 0.223 0.000 0.913 37 V CB 1.880 33.861 31.823 0.263 0.000 1.005 37 V HN 0.351 nan 8.190 nan 0.000 0.428 38 L N 4.554 125.847 121.223 0.118 0.000 2.362 38 L HA 0.669 5.009 4.340 0.000 0.000 0.275 38 L C -0.977 175.943 176.870 0.085 0.000 0.998 38 L CA -0.624 54.230 54.840 0.024 0.000 0.820 38 L CB 1.875 43.937 42.059 0.005 0.000 1.270 38 L HN 0.476 nan 8.230 nan 0.000 0.415 39 L N 4.060 125.289 121.223 0.010 0.000 2.346 39 L HA 0.748 5.088 4.340 0.000 0.000 0.276 39 L C -0.983 175.757 176.870 -0.216 0.000 1.006 39 L CA -0.336 54.478 54.840 -0.043 0.000 0.817 39 L CB 2.037 44.099 42.059 0.005 0.000 1.272 39 L HN 0.292 nan 8.230 nan 0.000 0.421 40 V N 5.225 124.951 119.914 -0.313 0.000 2.487 40 V HA 0.589 4.709 4.120 0.000 0.000 0.298 40 V C -0.329 175.565 176.094 -0.335 0.000 1.028 40 V CA -0.654 61.349 62.300 -0.496 0.000 0.860 40 V CB 1.679 33.018 31.823 -0.807 0.000 0.991 40 V HN 0.694 nan 8.190 nan 0.000 0.427 41 R N 3.445 123.772 120.500 -0.288 0.000 2.246 41 R HA 0.513 4.853 4.340 0.000 0.000 0.332 41 R C -0.789 175.388 176.300 -0.205 0.000 0.974 41 R CA -0.543 55.449 56.100 -0.180 0.000 0.837 41 R CB 1.324 31.574 30.300 -0.083 0.000 1.145 41 R HN 0.642 nan 8.270 nan 0.000 0.467 42 N N 3.493 122.052 118.700 -0.236 0.000 2.352 42 N HA 0.293 5.033 4.740 0.000 0.000 0.291 42 N C -2.338 172.956 175.510 -0.360 0.000 1.040 42 N CA -2.350 50.504 53.050 -0.327 0.000 0.864 42 N CB 2.027 40.293 38.487 -0.368 0.000 1.440 42 N HN 0.212 nan 8.380 nan 0.000 0.483 43 P HA 0.177 nan 4.420 nan 0.000 0.262 43 P C -0.520 176.434 177.300 -0.577 0.000 1.304 43 P CA 0.339 63.010 63.100 -0.715 0.000 0.859 43 P CB -0.034 30.981 31.700 -1.141 0.000 1.310 44 Y N 0.014 120.228 120.300 -0.144 0.000 2.751 44 Y HA 0.402 4.953 4.550 0.000 0.000 0.289 44 Y C 0.079 175.743 175.900 -0.394 0.000 1.110 44 Y CA -1.399 56.630 58.100 -0.118 0.000 1.251 44 Y CB -0.477 37.963 38.460 -0.033 0.000 1.178 44 Y HN -0.081 nan 8.280 nan 0.000 0.540 45 D N 1.305 121.327 120.400 -0.630 0.000 4.704 45 D HA -0.175 4.465 4.640 0.000 0.000 0.225 45 D C 0.796 176.882 176.300 -0.357 0.000 1.436 45 D CA 0.595 53.990 54.000 -1.008 0.000 1.085 45 D CB 0.309 40.260 40.800 -1.415 0.000 0.518 45 D HN 0.596 nan 8.370 nan 0.000 0.246 46 K N 2.286 122.504 120.400 -0.303 0.000 2.211 46 K HA -0.159 4.161 4.320 0.000 0.000 0.204 46 K C 1.826 178.464 176.600 0.064 0.000 1.047 46 K CA 1.091 57.312 56.287 -0.109 0.000 0.935 46 K CB -0.242 32.157 32.500 -0.168 0.000 0.728 46 K HN 0.271 nan 8.250 nan 0.000 0.452 47 F N 2.187 122.102 119.950 -0.058 0.000 2.293 47 F HA -0.034 4.494 4.527 0.000 0.000 0.300 47 F C 0.942 176.699 175.800 -0.072 0.000 1.086 47 F CA 0.378 58.355 58.000 -0.037 0.000 1.375 47 F CB -0.536 38.416 39.000 -0.079 0.000 1.045 47 F HN 0.095 nan 8.300 nan 0.000 0.516 48 D N 0.659 121.122 120.400 0.105 0.000 2.619 48 D HA 0.098 4.739 4.640 0.000 0.000 0.224 48 D C 1.387 177.740 176.300 0.089 0.000 1.133 48 D CA 0.073 54.086 54.000 0.023 0.000 1.017 48 D CB 0.259 41.064 40.800 0.009 0.000 1.077 48 D HN 0.095 nan 8.370 nan 0.000 0.503 49 V N 0.317 120.217 119.914 -0.023 0.000 2.548 49 V HA -0.078 4.042 4.120 0.000 0.000 0.249 49 V C 1.875 177.871 176.094 -0.163 0.000 1.055 49 V CA 0.778 63.078 62.300 -0.001 0.000 1.065 49 V CB -0.996 30.904 31.823 0.128 0.000 0.681 49 V HN 0.167 nan 8.190 nan 0.000 0.462 50 F N 1.970 121.846 119.950 -0.124 0.000 2.293 50 F HA 0.230 4.758 4.527 0.000 0.000 0.300 50 F C 2.658 178.371 175.800 -0.146 0.000 1.086 50 F CA 0.448 58.347 58.000 -0.170 0.000 1.375 50 F CB -1.479 37.459 39.000 -0.103 0.000 1.045 50 F HN 0.261 nan 8.300 nan 0.000 0.516 51 A N 0.654 123.539 122.820 0.109 0.000 1.902 51 A HA -0.180 4.141 4.320 0.000 0.000 0.217 51 A C 2.052 179.713 177.584 0.128 0.000 1.181 51 A CA 1.767 53.873 52.037 0.115 0.000 0.623 51 A CB -1.168 17.922 19.000 0.151 0.000 0.818 51 A HN 0.649 nan 8.150 nan 0.000 0.443 52 W N -2.052 119.299 121.300 0.084 0.000 2.915 52 W HA 0.284 4.944 4.660 0.000 0.000 0.276 52 W C 1.184 177.748 176.519 0.075 0.000 1.215 52 W CA 0.668 58.047 57.345 0.056 0.000 1.514 52 W CB -0.764 28.747 29.460 0.085 0.000 1.017 52 W HN 0.229 nan 8.180 nan 0.000 0.598 53 S N 1.791 117.065 115.700 -0.711 0.000 2.419 53 S HA -0.187 4.283 4.470 0.000 0.000 0.233 53 S C 1.913 176.383 174.600 -0.216 0.000 1.016 53 S CA 2.397 60.204 58.200 -0.655 0.000 0.974 53 S CB -0.601 62.226 63.200 -0.622 0.000 0.786 53 S HN 0.430 nan 8.310 nan 0.000 0.492 54 T N -0.521 113.928 114.554 -0.175 0.000 3.072 54 T HA 0.018 4.368 4.350 0.000 0.000 0.266 54 T C 1.232 175.824 174.700 -0.179 0.000 1.127 54 T CA 0.661 62.676 62.100 -0.142 0.000 1.107 54 T CB -0.223 68.563 68.868 -0.135 0.000 0.910 54 T HN 0.167 nan 8.240 nan 0.000 0.513 55 Q N 0.313 119.998 119.800 -0.192 0.000 2.320 55 Q HA 0.434 4.775 4.340 0.000 0.000 0.201 55 Q C 1.708 177.466 176.000 -0.404 0.000 0.910 55 Q CA 0.041 55.592 55.803 -0.419 0.000 0.946 55 Q CB 0.599 29.187 28.738 -0.251 0.000 1.062 55 Q HN 0.555 nan 8.270 nan 0.000 0.503 56 S N -1.183 114.482 115.700 -0.057 0.000 3.799 56 S HA 0.405 4.875 4.470 0.000 0.000 0.170 56 S C -0.236 174.488 174.600 0.207 0.000 0.840 56 S CA 0.585 58.894 58.200 0.181 0.000 1.025 56 S CB 0.278 63.762 63.200 0.474 0.000 1.455 56 S HN 0.286 nan 8.310 nan 0.000 0.804 57 T N 0.493 115.126 114.554 0.132 0.000 2.885 57 T HA 0.462 4.812 4.350 0.000 0.000 0.322 57 T C -1.611 173.007 174.700 -0.138 0.000 1.387 57 T CA -0.805 61.276 62.100 -0.033 0.000 1.041 57 T CB 0.897 69.667 68.868 -0.164 0.000 1.287 57 T HN 0.334 nan 8.240 nan 0.000 0.491 58 N N 2.242 120.772 118.700 -0.284 0.000 3.178 58 N HA 0.137 4.877 4.740 0.000 0.000 0.300 58 N C 1.123 176.242 175.510 -0.651 0.000 1.242 58 N CA -0.657 52.137 53.050 -0.426 0.000 1.192 58 N CB 0.099 38.393 38.487 -0.321 0.000 1.463 58 N HN 0.721 nan 8.380 nan 0.000 0.539 59 W N 0.392 121.273 121.300 -0.699 0.000 2.699 59 W HA 0.038 4.698 4.660 0.000 0.000 0.249 59 W C 0.284 176.377 176.519 -0.710 0.000 1.280 59 W CA -0.103 56.547 57.345 -1.159 0.000 1.345 59 W CB -0.490 28.602 29.460 -0.614 0.000 1.128 59 W HN 0.310 nan 8.180 nan 0.000 0.642 60 L N 1.172 121.898 121.223 -0.829 0.000 2.353 60 L HA -0.141 4.199 4.340 0.000 0.000 0.220 60 L C 2.536 179.220 176.870 -0.310 0.000 1.133 60 L CA 1.338 55.844 54.840 -0.555 0.000 0.798 60 L CB -0.622 41.092 42.059 -0.575 0.000 0.922 60 L HN 0.013 nan 8.230 nan 0.000 0.445 61 E N -0.185 119.819 120.200 -0.328 0.000 2.110 61 E HA -0.207 4.144 4.350 0.000 0.000 0.193 61 E C 2.083 178.726 176.600 0.072 0.000 0.988 61 E CA 1.137 57.454 56.400 -0.138 0.000 0.804 61 E CB -0.007 29.606 29.700 -0.144 0.000 0.745 61 E HN 0.375 nan 8.360 nan 0.000 0.458 62 F N -0.006 119.957 119.950 0.021 0.000 2.134 62 F HA -0.174 4.353 4.527 0.001 0.000 0.299 62 F C 2.269 178.174 175.800 0.174 0.000 1.097 62 F CA 0.601 58.649 58.000 0.079 0.000 1.264 62 F CB -1.179 37.784 39.000 -0.061 0.000 1.001 62 F HN -0.087 nan 8.300 nan 0.000 0.479 63 V N 0.143 120.188 119.914 0.218 0.000 2.379 63 V HA -0.199 3.921 4.120 0.000 0.000 0.245 63 V C 2.411 178.542 176.094 0.062 0.000 1.044 63 V CA 1.499 63.845 62.300 0.077 0.000 1.036 63 V CB -0.635 31.042 31.823 -0.243 0.000 0.664 63 V HN 0.215 nan 8.190 nan 0.000 0.453 64 R N 0.059 120.580 120.500 0.036 0.000 2.193 64 R HA -0.167 4.173 4.340 0.000 0.000 0.229 64 R C 1.670 178.055 176.300 0.141 0.000 1.110 64 R CA 1.539 57.711 56.100 0.120 0.000 0.988 64 R CB -0.263 30.097 30.300 0.099 0.000 0.871 64 R HN 0.478 nan 8.270 nan 0.000 0.458 65 D N -1.288 119.223 120.400 0.185 0.000 2.339 65 D HA 0.050 4.690 4.640 0.000 0.000 0.217 65 D C 0.734 177.129 176.300 0.159 0.000 1.050 65 D CA 0.757 54.873 54.000 0.194 0.000 0.856 65 D CB 0.527 41.492 40.800 0.276 0.000 0.922 65 D HN 0.321 nan 8.370 nan 0.000 0.518 66 G N -0.689 108.205 108.800 0.156 0.000 2.168 66 G HA2 -0.231 3.730 3.960 0.000 0.000 0.197 66 G HA3 -0.231 3.730 3.960 0.000 0.000 0.197 66 G C -0.248 174.652 174.900 0.001 0.000 0.997 66 G CA -0.347 44.786 45.100 0.056 0.000 0.658 66 G HN 0.255 nan 8.290 nan 0.000 0.513 67 Y N 1.138 121.505 120.300 0.112 0.000 2.310 67 Y HA 0.639 5.189 4.550 0.001 0.000 0.326 67 Y C 0.900 176.880 175.900 0.134 0.000 1.151 67 Y CA 0.110 58.275 58.100 0.109 0.000 1.195 67 Y CB 1.451 39.968 38.460 0.095 0.000 1.210 67 Y HN 0.409 nan 8.280 nan 0.000 0.483 68 A N 2.449 125.446 122.820 0.296 0.000 2.340 68 A HA 0.660 4.981 4.320 0.000 0.000 0.268 68 A C -0.921 176.837 177.584 0.289 0.000 1.100 68 A CA -0.511 51.678 52.037 0.253 0.000 0.803 68 A CB 0.372 19.509 19.000 0.227 0.000 1.043 68 A HN 0.536 nan 8.150 nan 0.000 0.488 69 V N 2.470 122.550 119.914 0.276 0.000 2.540 69 V HA 0.437 4.557 4.120 0.000 0.000 0.302 69 V C -0.512 175.737 176.094 0.259 0.000 1.035 69 V CA -0.484 61.962 62.300 0.244 0.000 0.873 69 V CB 1.734 33.660 31.823 0.172 0.000 0.992 69 V HN 0.644 nan 8.190 nan 0.000 0.428 70 V N 6.252 126.283 119.914 0.195 0.000 2.384 70 V HA 0.537 4.657 4.120 0.000 0.000 0.287 70 V C -0.289 175.839 176.094 0.058 0.000 1.020 70 V CA -0.372 62.047 62.300 0.199 0.000 0.850 70 V CB 1.596 33.587 31.823 0.280 0.000 0.987 70 V HN 0.680 nan 8.190 nan 0.000 0.436 71 I N 4.647 125.269 120.570 0.087 0.000 2.362 71 I HA 0.514 4.684 4.170 0.000 0.000 0.289 71 I C -0.211 175.886 176.117 -0.032 0.000 0.994 71 I CA -0.347 60.940 61.300 -0.022 0.000 1.158 71 I CB 1.699 39.718 38.000 0.032 0.000 1.315 71 I HN 0.622 nan 8.210 nan 0.000 0.451 72 Q N 4.877 124.619 119.800 -0.098 0.000 2.337 72 Q HA 0.286 4.626 4.340 0.000 0.000 0.266 72 Q C -1.279 174.640 176.000 -0.135 0.000 1.023 72 Q CA -0.859 54.880 55.803 -0.107 0.000 0.829 72 Q CB 1.943 30.627 28.738 -0.091 0.000 1.306 72 Q HN 0.470 nan 8.270 nan 0.000 0.449 73 D N 3.035 123.353 120.400 -0.137 0.000 2.343 73 D HA 0.073 4.714 4.640 0.000 0.000 0.255 73 D C -0.049 176.201 176.300 -0.083 0.000 1.187 73 D CA 0.264 54.193 54.000 -0.117 0.000 0.875 73 D CB 1.162 41.906 40.800 -0.093 0.000 1.136 73 D HN 0.626 nan 8.370 nan 0.000 0.469 74 T N 0.177 114.684 114.554 -0.078 0.000 2.795 74 T HA 0.044 4.394 4.350 0.000 0.000 0.314 74 T C 0.746 175.455 174.700 0.015 0.000 1.069 74 T CA -0.822 61.271 62.100 -0.011 0.000 1.071 74 T CB 0.830 69.729 68.868 0.051 0.000 0.988 74 T HN 0.369 nan 8.240 nan 0.000 0.543 75 R N 0.416 120.950 120.500 0.058 0.000 2.537 75 R HA 0.253 4.593 4.340 0.000 0.000 0.281 75 R C 1.518 177.878 176.300 0.099 0.000 0.988 75 R CA 1.295 57.428 56.100 0.054 0.000 1.077 75 R CB -0.862 29.466 30.300 0.047 0.000 0.932 75 R HN 1.237 nan 8.270 nan 0.000 0.409 76 G N 3.329 112.150 108.800 0.035 0.000 2.179 76 G HA2 -0.261 3.699 3.960 0.000 0.000 0.260 76 G HA3 -0.261 3.699 3.960 0.000 0.000 0.260 76 G C -0.139 174.721 174.900 -0.067 0.000 0.977 76 G CA 0.300 45.416 45.100 0.026 0.000 0.641 76 G HN 0.487 nan 8.290 nan 0.000 0.533 77 L N -0.865 120.285 121.223 -0.122 0.000 2.362 77 L HA 0.742 5.083 4.340 0.000 0.000 0.271 77 L C 1.510 178.317 176.870 -0.106 0.000 1.002 77 L CA -1.260 53.427 54.840 -0.255 0.000 0.818 77 L CB 1.040 42.924 42.059 -0.292 0.000 1.298 77 L HN 0.081 nan 8.230 nan 0.000 0.420 78 F N 0.855 120.714 119.950 -0.151 0.000 2.958 78 F HA -0.449 4.078 4.527 0.001 0.000 0.240 78 F C 1.842 177.569 175.800 -0.121 0.000 1.487 78 F CA 1.758 59.683 58.000 -0.126 0.000 1.873 78 F CB -1.320 37.588 39.000 -0.153 0.000 0.531 78 F HN 0.564 nan 8.300 nan 0.000 0.277 79 A N -0.116 122.741 122.820 0.061 0.000 2.238 79 A HA 0.333 4.653 4.320 0.000 0.000 0.208 79 A C 0.865 178.420 177.584 -0.048 0.000 1.177 79 A CA 1.017 53.037 52.037 -0.027 0.000 0.804 79 A CB -0.489 18.450 19.000 -0.101 0.000 0.823 79 A HN 0.368 nan 8.150 nan 0.000 0.482 80 S N 0.751 116.423 115.700 -0.047 0.000 2.584 80 S HA 0.299 4.769 4.470 0.000 0.000 0.273 80 S C 0.233 174.805 174.600 -0.046 0.000 1.311 80 S CA -0.463 57.704 58.200 -0.054 0.000 1.034 80 S CB 0.794 63.964 63.200 -0.052 0.000 0.939 80 S HN 0.603 nan 8.310 nan 0.000 0.513 81 E N 0.613 120.787 120.200 -0.043 0.000 2.620 81 E HA 0.559 4.909 4.350 0.000 0.000 0.255 81 E C 0.805 177.391 176.600 -0.024 0.000 1.346 81 E CA -0.024 56.355 56.400 -0.034 0.000 1.013 81 E CB 0.280 29.961 29.700 -0.031 0.000 1.131 81 E HN 0.839 nan 8.360 nan 0.000 0.608 82 G N 0.130 108.919 108.800 -0.018 0.000 2.698 82 G HA2 -0.165 3.795 3.960 0.000 0.000 0.225 82 G HA3 -0.165 3.795 3.960 0.000 0.000 0.225 82 G C -1.126 173.774 174.900 -0.000 0.000 1.345 82 G CA -0.768 44.327 45.100 -0.009 0.000 0.871 82 G HN 0.379 nan 8.290 nan 0.000 0.540 83 E N -0.715 119.489 120.200 0.006 0.000 2.171 83 E HA 0.525 4.875 4.350 0.000 0.000 0.271 83 E C -0.842 175.783 176.600 0.042 0.000 0.916 83 E CA -0.738 55.672 56.400 0.017 0.000 0.774 83 E CB 1.917 31.614 29.700 -0.004 0.000 1.128 83 E HN 0.466 nan 8.360 nan 0.000 0.403 84 F N 3.069 122.965 119.950 -0.090 0.000 2.445 84 F HA 0.269 4.796 4.527 0.000 0.000 0.359 84 F C -0.695 175.034 175.800 -0.118 0.000 1.101 84 F CA -0.488 57.443 58.000 -0.114 0.000 1.177 84 F CB 0.570 39.475 39.000 -0.157 0.000 1.110 84 F HN 0.071 nan 8.300 nan 0.000 0.522 85 V N 7.891 127.240 119.914 -0.943 0.000 2.569 85 V HA 0.322 4.442 4.120 0.000 0.000 0.301 85 V C -2.291 173.059 176.094 -1.239 0.000 1.044 85 V CA -2.015 59.716 62.300 -0.948 0.000 0.874 85 V CB 1.788 33.381 31.823 -0.382 0.000 1.002 85 V HN 0.633 nan 8.190 nan 0.000 0.424 86 P HA 0.141 nan 4.420 nan 0.000 0.264 86 P C 0.323 177.272 177.300 -0.585 0.000 1.183 86 P CA 0.881 63.344 63.100 -1.061 0.000 0.763 86 P CB 0.087 30.919 31.700 -1.446 0.000 0.807 87 H N -0.557 118.513 119.070 0.001 0.000 4.820 87 H HA -0.243 4.313 4.556 0.000 0.000 0.092 87 H C 1.155 176.489 175.328 0.010 0.000 0.591 87 H CA 1.305 57.370 56.048 0.028 0.000 1.165 87 H CB -2.007 27.821 29.762 0.110 0.000 0.547 87 H HN 0.326 nan 8.280 nan 0.000 0.670 88 V N -1.621 118.329 119.914 0.060 0.000 2.759 88 V HA -0.062 4.058 4.120 0.000 0.000 0.256 88 V C 1.388 177.496 176.094 0.024 0.000 1.080 88 V CA 2.295 64.621 62.300 0.044 0.000 1.101 88 V CB 0.113 31.937 31.823 0.001 0.000 0.698 88 V HN 0.378 nan 8.190 nan 0.000 0.477 89 D N -0.160 120.247 120.400 0.010 0.000 2.398 89 D HA 0.070 4.710 4.640 0.000 0.000 0.210 89 D C 1.203 177.528 176.300 0.041 0.000 1.094 89 D CA 0.344 54.355 54.000 0.017 0.000 0.839 89 D CB 0.359 41.159 40.800 -0.000 0.000 0.963 89 D HN 0.497 nan 8.370 nan 0.000 0.506 90 D N 1.117 121.556 120.400 0.065 0.000 2.194 90 D HA -0.068 4.572 4.640 0.000 0.000 0.204 90 D C 1.702 178.035 176.300 0.056 0.000 0.964 90 D CA 0.549 54.592 54.000 0.072 0.000 0.846 90 D CB 0.419 41.275 40.800 0.093 0.000 0.962 90 D HN 0.362 nan 8.370 nan 0.000 0.490 91 E N 1.134 121.369 120.200 0.058 0.000 2.031 91 E HA -0.145 4.205 4.350 0.000 0.000 0.193 91 E C 2.139 178.763 176.600 0.040 0.000 0.994 91 E CA 1.042 57.473 56.400 0.052 0.000 0.800 91 E CB 0.001 29.733 29.700 0.054 0.000 0.752 91 E HN 0.144 nan 8.360 nan 0.000 0.447 92 A N 1.591 124.431 122.820 0.035 0.000 1.898 92 A HA -0.184 4.136 4.320 0.000 0.000 0.216 92 A C 1.689 179.288 177.584 0.025 0.000 1.181 92 A CA 1.595 53.648 52.037 0.027 0.000 0.620 92 A CB -0.283 18.730 19.000 0.021 0.000 0.819 92 A HN 0.081 nan 8.150 nan 0.000 0.442 93 D N 0.127 120.541 120.400 0.024 0.000 2.178 93 D HA 0.005 4.645 4.640 0.000 0.000 0.202 93 D C 2.134 178.446 176.300 0.019 0.000 0.974 93 D CA 1.341 55.351 54.000 0.016 0.000 0.841 93 D CB -0.312 40.497 40.800 0.015 0.000 0.953 93 D HN 0.426 nan 8.370 nan 0.000 0.478 94 A N 0.831 123.667 122.820 0.026 0.000 1.897 94 A HA -0.172 4.148 4.320 0.000 0.000 0.215 94 A C 2.110 179.714 177.584 0.034 0.000 1.181 94 A CA 1.537 53.589 52.037 0.025 0.000 0.620 94 A CB -0.483 18.531 19.000 0.023 0.000 0.821 94 A HN 0.258 nan 8.150 nan 0.000 0.443 95 E N 0.045 120.265 120.200 0.034 0.000 2.051 95 E HA -0.251 4.099 4.350 0.000 0.000 0.192 95 E C 1.134 177.761 176.600 0.045 0.000 0.991 95 E CA 1.516 57.938 56.400 0.037 0.000 0.799 95 E CB -0.181 29.539 29.700 0.033 0.000 0.748 95 E HN 0.523 nan 8.360 nan 0.000 0.449 96 D N -0.068 120.358 120.400 0.043 0.000 2.144 96 D HA -0.115 4.526 4.640 0.000 0.000 0.199 96 D C 1.940 178.296 176.300 0.094 0.000 0.984 96 D CA 1.532 55.567 54.000 0.058 0.000 0.834 96 D CB -0.517 40.304 40.800 0.035 0.000 0.955 96 D HN 0.218 nan 8.370 nan 0.000 0.465 97 T N 1.236 115.834 114.554 0.073 0.000 2.746 97 T HA -0.063 4.287 4.350 0.000 0.000 0.267 97 T C 2.259 177.071 174.700 0.187 0.000 1.039 97 T CA 0.562 62.730 62.100 0.114 0.000 1.142 97 T CB -0.276 68.625 68.868 0.055 0.000 0.866 97 T HN 0.125 nan 8.240 nan 0.000 0.444 98 L N 0.821 122.111 121.223 0.113 0.000 2.046 98 L HA -0.099 4.241 4.340 0.000 0.000 0.208 98 L C 2.880 179.796 176.870 0.077 0.000 1.077 98 L CA 0.967 55.859 54.840 0.087 0.000 0.747 98 L CB -0.602 41.486 42.059 0.047 0.000 0.896 98 L HN 0.223 nan 8.230 nan 0.000 0.432 99 S N -1.069 114.682 115.700 0.085 0.000 2.368 99 S HA -0.234 4.236 4.470 0.000 0.000 0.225 99 S C 1.532 176.178 174.600 0.076 0.000 1.030 99 S CA 1.396 59.631 58.200 0.059 0.000 0.999 99 S CB -0.429 62.808 63.200 0.061 0.000 0.844 99 S HN 0.561 nan 8.310 nan 0.000 0.459 100 W N 2.208 123.483 121.300 -0.043 0.000 2.358 100 W HA -0.060 4.601 4.660 0.001 0.000 0.303 100 W C 1.672 178.125 176.519 -0.110 0.000 1.208 100 W CA 1.067 58.379 57.345 -0.054 0.000 1.274 100 W CB -0.415 29.035 29.460 -0.017 0.000 1.138 100 W HN 0.185 nan 8.180 nan 0.000 0.515 101 I N 0.449 121.046 120.570 0.046 0.000 2.226 101 I HA -0.348 3.822 4.170 0.000 0.000 0.245 101 I C 2.367 178.188 176.117 -0.495 0.000 1.100 101 I CA 1.384 62.505 61.300 -0.297 0.000 1.374 101 I CB -0.753 37.268 38.000 0.035 0.000 1.057 101 I HN -0.005 nan 8.210 nan 0.000 0.413 102 L N 0.234 121.300 121.223 -0.261 0.000 2.191 102 L HA -0.201 4.140 4.340 0.000 0.000 0.212 102 L C 2.272 178.952 176.870 -0.317 0.000 1.103 102 L CA 1.289 55.983 54.840 -0.245 0.000 0.769 102 L CB -0.480 41.503 42.059 -0.126 0.000 0.908 102 L HN 0.276 nan 8.230 nan 0.000 0.438 103 E N -0.852 119.123 120.200 -0.375 0.000 2.358 103 E HA -0.077 4.273 4.350 0.000 0.000 0.195 103 E C 0.446 176.746 176.600 -0.501 0.000 1.010 103 E CA 0.074 56.254 56.400 -0.367 0.000 0.856 103 E CB 0.208 29.723 29.700 -0.308 0.000 0.795 103 E HN 0.402 nan 8.360 nan 0.000 0.504 104 Q N -0.199 119.125 119.800 -0.792 0.000 2.373 104 Q HA 0.143 4.483 4.340 0.000 0.000 0.255 104 Q C 0.881 176.443 176.000 -0.729 0.000 0.980 104 Q CA 0.104 55.330 55.803 -0.962 0.000 0.882 104 Q CB 0.977 28.627 28.738 -1.814 0.000 1.249 104 Q HN 0.106 nan 8.270 nan 0.000 0.438 105 A N 2.904 125.427 122.820 -0.495 0.000 1.978 105 A HA -0.146 4.174 4.320 0.000 0.000 0.220 105 A C 1.333 178.842 177.584 -0.124 0.000 1.170 105 A CA 1.473 53.381 52.037 -0.215 0.000 0.636 105 A CB -0.599 18.379 19.000 -0.037 0.000 0.810 105 A HN 0.877 nan 8.150 nan 0.000 0.448 106 W N -2.378 118.875 121.300 -0.077 0.000 3.290 106 W HA 0.363 5.023 4.660 0.000 0.000 0.287 106 W C 0.432 176.923 176.519 -0.046 0.000 1.288 106 W CA -0.478 56.841 57.345 -0.043 0.000 1.725 106 W CB -1.393 28.056 29.460 -0.018 0.000 1.103 106 W HN 0.287 nan 8.180 nan 0.000 0.670 107 C N 5.338 124.461 119.300 -0.296 0.000 2.307 107 C HA 0.202 4.663 4.460 0.000 0.000 0.340 107 C C 1.371 176.283 174.990 -0.130 0.000 1.275 107 C CA -0.406 58.487 59.018 -0.208 0.000 1.811 107 C CB 0.432 27.902 27.740 -0.450 0.000 2.372 107 C HN 0.363 nan 8.230 nan 0.000 0.531 108 D N 2.360 122.727 120.400 -0.054 0.000 2.336 108 D HA 0.221 4.861 4.640 0.000 0.000 0.228 108 D C 1.328 177.594 176.300 -0.057 0.000 1.120 108 D CA 0.579 54.548 54.000 -0.052 0.000 0.839 108 D CB -0.275 40.506 40.800 -0.031 0.000 0.932 108 D HN 1.237 nan 8.370 nan 0.000 0.509 109 G N 0.089 108.845 108.800 -0.073 0.000 2.175 109 G HA2 -0.240 3.720 3.960 0.000 0.000 0.244 109 G HA3 -0.240 3.720 3.960 0.000 0.000 0.244 109 G C -0.216 174.663 174.900 -0.036 0.000 0.982 109 G CA -0.282 44.781 45.100 -0.061 0.000 0.641 109 G HN 0.435 nan 8.290 nan 0.000 0.527 110 N N 0.190 118.878 118.700 -0.021 0.000 2.442 110 N HA 0.552 5.293 4.740 0.000 0.000 0.274 110 N C -0.764 174.755 175.510 0.016 0.000 1.002 110 N CA -0.204 52.847 53.050 0.002 0.000 0.910 110 N CB 2.644 41.139 38.487 0.013 0.000 1.244 110 N HN 0.102 nan 8.380 nan 0.000 0.492 111 V N 0.463 120.383 119.914 0.011 0.000 2.735 111 V HA 0.809 4.929 4.120 0.000 0.000 0.310 111 V C 0.528 176.615 176.094 -0.012 0.000 1.061 111 V CA -0.716 61.590 62.300 0.009 0.000 0.913 111 V CB 2.051 33.883 31.823 0.014 0.000 1.005 111 V HN 0.743 nan 8.190 nan 0.000 0.428 112 G N 2.739 111.493 108.800 -0.078 0.000 2.730 112 G HA2 0.860 4.821 3.960 0.000 0.000 0.289 112 G HA3 0.860 4.821 3.960 0.000 0.000 0.289 112 G C -1.327 173.522 174.900 -0.084 0.000 1.341 112 G CA -0.805 44.221 45.100 -0.125 0.000 0.932 112 G HN 0.520 nan 8.290 nan 0.000 0.481 113 M N -0.245 119.384 119.600 0.049 0.000 2.575 113 M HA 0.649 5.129 4.480 0.000 0.000 0.284 113 M C -1.248 175.263 176.300 0.351 0.000 1.253 113 M CA -0.608 54.743 55.300 0.084 0.000 0.861 113 M CB 2.844 35.432 32.600 -0.019 0.000 1.733 113 M HN 0.677 nan 8.290 nan 0.000 0.462 114 F N -0.964 119.028 119.950 0.070 0.000 2.745 114 F HA 0.999 5.526 4.527 0.001 0.000 0.316 114 F C -0.467 175.344 175.800 0.017 0.000 1.155 114 F CA -0.615 57.494 58.000 0.181 0.000 0.937 114 F CB 1.305 40.565 39.000 0.432 0.000 1.361 114 F HN 0.846 nan 8.300 nan 0.000 0.472 115 G N -0.068 108.787 108.800 0.092 0.000 2.340 115 G HA2 0.460 4.421 3.960 0.000 0.000 0.527 115 G HA3 0.460 4.421 3.960 0.000 0.000 0.527 115 G C -2.656 172.226 174.900 -0.031 0.000 1.381 115 G CA -0.273 44.735 45.100 -0.152 0.000 1.001 115 G HN 1.647 nan 8.290 nan 0.000 0.626 116 V N 0.395 120.279 119.914 -0.051 0.000 2.680 116 V HA 0.776 4.896 4.120 0.000 0.000 0.309 116 V C 1.154 177.230 176.094 -0.030 0.000 1.052 116 V CA 1.679 63.975 62.300 -0.006 0.000 0.908 116 V CB 1.138 33.001 31.823 0.067 0.000 1.001 116 V HN 2.583 nan 8.190 nan 0.000 0.431 117 S N 4.231 119.841 115.700 -0.150 0.000 4.150 117 S HA -0.384 4.086 4.470 0.000 0.000 0.575 117 S C 0.845 175.371 174.600 -0.124 0.000 1.878 117 S CA 2.065 60.066 58.200 -0.333 0.000 4.245 117 S CB -1.680 61.478 63.200 -0.071 0.000 0.231 117 S HN 1.345 nan 8.310 nan 0.000 0.469 118 Y N 2.293 122.614 120.300 0.034 0.000 2.256 118 Y HA -0.030 4.520 4.550 0.000 0.000 0.288 118 Y C 2.001 177.886 175.900 -0.026 0.000 1.155 118 Y CA 1.872 60.021 58.100 0.081 0.000 1.203 118 Y CB -0.328 38.255 38.460 0.204 0.000 0.980 118 Y HN 0.351 nan 8.280 nan 0.000 0.530 119 L N -0.810 120.474 121.223 0.101 0.000 2.465 119 L HA 0.027 4.367 4.340 0.000 0.000 0.224 119 L C 2.447 179.226 176.870 -0.152 0.000 1.145 119 L CA 1.468 56.237 54.840 -0.117 0.000 0.834 119 L CB -1.016 40.830 42.059 -0.355 0.000 0.944 119 L HN 0.288 nan 8.230 nan 0.000 0.451 120 G N -1.723 107.009 108.800 -0.114 0.000 2.576 120 G HA2 -0.025 3.936 3.960 0.000 0.000 0.210 120 G HA3 -0.025 3.936 3.960 0.000 0.000 0.210 120 G C 1.535 176.388 174.900 -0.079 0.000 1.143 120 G CA 0.456 45.484 45.100 -0.120 0.000 0.819 120 G HN 0.139 nan 8.290 nan 0.000 0.534 121 V N 2.354 122.235 119.914 -0.055 0.000 2.332 121 V HA -0.216 3.904 4.120 0.000 0.000 0.248 121 V C 3.336 179.439 176.094 0.015 0.000 1.055 121 V CA 2.497 64.816 62.300 0.031 0.000 1.038 121 V CB -1.035 30.730 31.823 -0.096 0.000 0.651 121 V HN 0.622 nan 8.190 nan 0.000 0.450 122 T N -1.812 112.696 114.554 -0.076 0.000 2.929 122 T HA -0.266 4.084 4.350 0.000 0.000 0.271 122 T C 1.684 176.357 174.700 -0.045 0.000 1.085 122 T CA 1.541 63.613 62.100 -0.047 0.000 1.125 122 T CB -0.329 68.521 68.868 -0.030 0.000 0.874 122 T HN 0.591 nan 8.240 nan 0.000 0.494 123 Q N -0.167 119.565 119.800 -0.114 0.000 2.123 123 Q HA 0.028 4.368 4.340 0.000 0.000 0.199 123 Q C 2.004 177.896 176.000 -0.180 0.000 0.966 123 Q CA 1.193 56.881 55.803 -0.192 0.000 0.845 123 Q CB -0.279 28.268 28.738 -0.318 0.000 0.907 123 Q HN 0.700 nan 8.270 nan 0.000 0.439 124 W N 1.524 122.825 121.300 0.001 0.000 2.363 124 W HA -0.170 4.490 4.660 0.000 0.000 0.296 124 W C 2.267 178.790 176.519 0.007 0.000 1.212 124 W CA 0.670 58.021 57.345 0.009 0.000 1.260 124 W CB 0.036 29.505 29.460 0.015 0.000 1.131 124 W HN 0.208 nan 8.180 nan 0.000 0.530 125 Q N -0.137 119.786 119.800 0.204 0.000 2.167 125 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 125 Q C 2.420 178.472 176.000 0.087 0.000 0.970 125 Q CA 1.518 57.397 55.803 0.126 0.000 0.855 125 Q CB -0.480 28.310 28.738 0.086 0.000 0.911 125 Q HN 0.328 nan 8.270 nan 0.000 0.438 126 A N 0.964 123.818 122.820 0.055 0.000 1.897 126 A HA -0.011 4.309 4.320 0.000 0.000 0.215 126 A C 2.272 179.884 177.584 0.047 0.000 1.181 126 A CA 1.290 53.347 52.037 0.034 0.000 0.620 126 A CB -0.628 18.372 19.000 0.000 0.000 0.821 126 A HN 0.369 nan 8.150 nan 0.000 0.443 127 A N 0.038 122.895 122.820 0.063 0.000 2.019 127 A HA 0.027 4.348 4.320 0.000 0.000 0.219 127 A C 1.998 179.640 177.584 0.096 0.000 1.164 127 A CA 1.750 53.834 52.037 0.078 0.000 0.644 127 A CB -0.951 18.122 19.000 0.122 0.000 0.805 127 A HN 1.125 nan 8.150 nan 0.000 0.449 128 V N -1.501 118.477 119.914 0.106 0.000 3.623 128 V HA 0.006 4.126 4.120 0.000 0.000 0.271 128 V C 1.892 178.019 176.094 0.054 0.000 1.248 128 V CA 1.400 63.748 62.300 0.081 0.000 1.156 128 V CB -0.921 30.950 31.823 0.081 0.000 0.870 128 V HN 0.599 nan 8.190 nan 0.000 0.453 129 S N 0.514 116.243 115.700 0.049 0.000 2.489 129 S HA 0.225 4.695 4.470 0.000 0.000 0.228 129 S C 1.825 176.442 174.600 0.028 0.000 0.995 129 S CA 0.826 59.048 58.200 0.037 0.000 0.934 129 S CB -0.415 62.806 63.200 0.035 0.000 0.771 129 S HN 1.839 nan 8.310 nan 0.000 0.522 130 G N 0.459 109.276 108.800 0.027 0.000 2.176 130 G HA2 -0.214 3.746 3.960 0.000 0.000 0.252 130 G HA3 -0.214 3.746 3.960 0.000 0.000 0.252 130 G C -0.081 174.828 174.900 0.015 0.000 1.024 130 G CA 0.080 45.192 45.100 0.020 0.000 0.755 130 G HN 0.717 nan 8.290 nan 0.000 0.507 131 V N 0.848 120.772 119.914 0.016 0.000 2.389 131 V HA 0.508 4.628 4.120 0.000 0.000 0.264 131 V C 1.929 178.027 176.094 0.006 0.000 1.049 131 V CA 0.640 62.947 62.300 0.011 0.000 0.932 131 V CB 0.869 32.701 31.823 0.014 0.000 1.011 131 V HN 0.540 nan 8.190 nan 0.000 0.475 132 G N 4.275 113.076 108.800 0.001 0.000 2.450 132 G HA2 -0.172 3.788 3.960 0.000 0.000 0.220 132 G HA3 -0.172 3.788 3.960 0.000 0.000 0.220 132 G C 1.482 176.381 174.900 -0.003 0.000 1.130 132 G CA 0.867 45.966 45.100 -0.001 0.000 0.760 132 G HN 0.872 nan 8.290 nan 0.000 0.557 133 G N -0.237 108.559 108.800 -0.007 0.000 2.598 133 G HA2 0.113 4.073 3.960 0.000 0.000 0.215 133 G HA3 0.113 4.073 3.960 0.000 0.000 0.215 133 G C 0.628 175.527 174.900 -0.001 0.000 1.131 133 G CA -0.105 44.989 45.100 -0.010 0.000 0.785 133 G HN 0.407 nan 8.290 nan 0.000 0.539 134 L N 0.951 122.176 121.223 0.004 0.000 2.407 134 L HA 0.378 4.719 4.340 0.000 0.000 0.282 134 L C 0.908 177.783 176.870 0.009 0.000 1.110 134 L CA -0.274 54.572 54.840 0.009 0.000 0.863 134 L CB 0.759 42.824 42.059 0.010 0.000 1.207 134 L HN -0.188 nan 8.230 nan 0.000 0.454 135 K N 4.193 124.603 120.400 0.016 0.000 2.354 135 K HA 0.523 4.843 4.320 0.000 0.000 0.194 135 K C -0.007 176.587 176.600 -0.010 0.000 1.045 135 K CA 0.630 56.925 56.287 0.012 0.000 1.026 135 K CB 0.471 32.993 32.500 0.036 0.000 0.866 135 K HN 0.603 nan 8.250 nan 0.000 0.530 136 A N 1.102 123.949 122.820 0.045 0.000 2.590 136 A HA 0.597 4.918 4.320 0.000 0.000 0.296 136 A C -1.124 176.605 177.584 0.241 0.000 1.050 136 A CA -0.949 51.146 52.037 0.097 0.000 0.697 136 A CB 0.779 19.826 19.000 0.079 0.000 1.277 136 A HN 0.159 nan 8.150 nan 0.000 0.411 137 I N -1.827 118.880 120.570 0.229 0.000 3.002 137 I HA 0.966 5.136 4.170 0.000 0.000 0.310 137 I C -0.054 176.148 176.117 0.141 0.000 1.087 137 I CA -1.139 60.241 61.300 0.134 0.000 1.017 137 I CB 2.588 40.478 38.000 -0.183 0.000 1.226 137 I HN 1.143 nan 8.210 nan 0.000 0.443 138 A N 3.466 126.343 122.820 0.095 0.000 3.266 138 A HA 0.624 4.944 4.320 0.000 0.000 0.310 138 A C -2.886 174.713 177.584 0.025 0.000 1.066 138 A CA -1.201 50.838 52.037 0.003 0.000 0.839 138 A CB -0.008 19.053 19.000 0.103 0.000 1.192 138 A HN 0.525 nan 8.150 nan 0.000 0.496 139 P HA 0.270 nan 4.420 nan 0.000 0.287 139 P C -0.163 177.147 177.300 0.017 0.000 1.294 139 P CA 0.238 63.267 63.100 -0.118 0.000 0.776 139 P CB 1.594 33.098 31.700 -0.327 0.000 0.889 140 S N 4.674 120.394 115.700 0.035 0.000 2.475 140 S HA 0.521 4.991 4.470 0.000 0.000 0.298 140 S C 0.534 175.119 174.600 -0.024 0.000 1.119 140 S CA -0.421 57.812 58.200 0.056 0.000 1.085 140 S CB -0.133 63.135 63.200 0.113 0.000 1.028 140 S HN 0.349 nan 8.310 nan 0.000 0.489 141 M N 1.248 120.842 119.600 -0.009 0.000 2.212 141 M HA -0.199 4.281 4.480 0.000 0.000 0.193 141 M C 0.049 176.113 176.300 -0.393 0.000 0.493 141 M CA 0.976 56.225 55.300 -0.085 0.000 0.427 141 M CB -3.235 29.328 32.600 -0.062 0.000 1.120 141 M HN 0.694 nan 8.290 nan 0.000 0.929 142 A N -0.299 122.431 122.820 -0.151 0.000 2.344 142 A HA 0.926 5.247 4.320 0.000 0.000 0.307 142 A C 0.105 177.762 177.584 0.123 0.000 1.151 142 A CA 0.056 52.005 52.037 -0.147 0.000 0.842 142 A CB 2.142 21.198 19.000 0.094 0.000 1.350 142 A HN 0.565 nan 8.150 nan 0.000 0.459 143 S N -1.882 113.928 115.700 0.183 0.000 2.546 143 S HA 0.596 5.067 4.470 0.000 0.000 0.274 143 S C -0.092 174.541 174.600 0.055 0.000 1.121 143 S CA 0.252 58.542 58.200 0.150 0.000 0.887 143 S CB 1.719 65.036 63.200 0.196 0.000 1.094 143 S HN 1.888 nan 8.310 nan 0.000 0.474 144 A N 2.200 124.956 122.820 -0.107 0.000 2.430 144 A HA 0.397 4.718 4.320 0.000 0.000 0.243 144 A C 0.041 177.630 177.584 0.009 0.000 1.254 144 A CA -0.030 51.925 52.037 -0.136 0.000 0.914 144 A CB -0.005 18.736 19.000 -0.432 0.000 0.998 144 A HN 0.677 nan 8.150 nan 0.000 0.515 145 D N 0.395 120.792 120.400 -0.006 0.000 2.336 145 D HA 0.233 4.873 4.640 0.000 0.000 0.248 145 D C 0.412 176.706 176.300 -0.009 0.000 1.326 145 D CA -0.383 53.619 54.000 0.003 0.000 0.973 145 D CB 0.856 41.609 40.800 -0.078 0.000 1.255 145 D HN -0.060 nan 8.370 nan 0.000 0.558 146 L N 3.107 124.366 121.223 0.061 0.000 2.217 146 L HA -0.089 4.251 4.340 0.000 0.000 0.211 146 L C 1.861 178.730 176.870 -0.001 0.000 1.107 146 L CA 1.018 55.894 54.840 0.059 0.000 0.783 146 L CB -1.377 40.806 42.059 0.207 0.000 0.919 146 L HN 0.548 nan 8.230 nan 0.000 0.442 147 Y N 1.302 121.447 120.300 -0.259 0.000 2.145 147 Y HA -0.225 4.326 4.550 0.000 0.000 0.286 147 Y C 2.823 178.514 175.900 -0.347 0.000 1.145 147 Y CA 1.712 59.412 58.100 -0.667 0.000 1.148 147 Y CB 0.001 37.967 38.460 -0.824 0.000 0.981 147 Y HN 0.029 nan 8.280 nan 0.000 0.507 148 R N 0.044 120.494 120.500 -0.084 0.000 2.148 148 R HA 0.207 4.547 4.340 0.000 0.000 0.223 148 R C -0.111 176.066 176.300 -0.204 0.000 1.088 148 R CA 0.724 56.751 56.100 -0.121 0.000 0.985 148 R CB 0.008 30.241 30.300 -0.111 0.000 0.880 148 R HN 0.249 nan 8.270 nan 0.000 0.451 149 A N 0.284 122.955 122.820 -0.248 0.000 2.532 149 A HA 0.341 4.661 4.320 0.000 0.000 0.296 149 A C -2.494 174.782 177.584 -0.512 0.000 1.058 149 A CA -1.138 50.666 52.037 -0.387 0.000 0.729 149 A CB 1.602 20.422 19.000 -0.301 0.000 1.285 149 A HN -0.107 nan 8.150 nan 0.000 0.396 150 P HA 0.150 nan 4.420 nan 0.000 0.275 150 P C 0.273 177.118 177.300 -0.757 0.000 1.310 150 P CA 0.295 62.744 63.100 -1.086 0.000 0.904 150 P CB -0.030 30.739 31.700 -1.551 0.000 1.381 151 W N -1.585 119.587 121.300 -0.213 0.000 2.588 151 W HA 0.121 4.781 4.660 0.001 0.000 0.277 151 W C 1.499 177.737 176.519 -0.469 0.000 1.221 151 W CA -0.058 57.158 57.345 -0.215 0.000 1.355 151 W CB -0.363 29.106 29.460 0.015 0.000 1.083 151 W HN -0.132 nan 8.180 nan 0.000 0.581 152 Y N -0.420 119.585 120.300 -0.492 0.000 2.698 152 Y HA 0.688 5.238 4.550 0.000 0.000 0.185 152 Y C 1.014 176.654 175.900 -0.433 0.000 1.078 152 Y CA 0.293 58.000 58.100 -0.655 0.000 1.571 152 Y CB -0.021 37.495 38.460 -1.573 0.000 1.086 152 Y HN -0.260 nan 8.280 nan 0.000 0.487 153 G N -1.262 107.365 108.800 -0.290 0.000 2.338 153 G HA2 0.241 4.201 3.960 0.000 0.000 0.295 153 G HA3 0.241 4.201 3.960 0.000 0.000 0.295 153 G C -2.683 172.172 174.900 -0.074 0.000 1.461 153 G CA -0.763 44.262 45.100 -0.124 0.000 0.817 153 G HN 0.047 nan 8.290 nan 0.000 0.556 154 P HA 0.027 nan 4.420 nan 0.000 0.225 154 P C 1.515 178.788 177.300 -0.046 0.000 1.148 154 P CA 1.538 64.613 63.100 -0.041 0.000 0.779 154 P CB 0.159 31.830 31.700 -0.049 0.000 0.780 155 G N -1.130 107.619 108.800 -0.085 0.000 2.986 155 G HA2 0.294 4.255 3.960 0.000 0.000 0.213 155 G HA3 0.294 4.255 3.960 0.000 0.000 0.213 155 G C 1.074 175.937 174.900 -0.062 0.000 1.156 155 G CA 0.398 45.447 45.100 -0.086 0.000 0.763 155 G HN 0.405 nan 8.290 nan 0.000 0.547 156 G N -1.269 107.469 108.800 -0.104 0.000 2.132 156 G HA2 0.173 4.133 3.960 0.000 0.000 0.234 156 G HA3 0.173 4.133 3.960 0.000 0.000 0.234 156 G C 0.305 175.189 174.900 -0.026 0.000 0.989 156 G CA 0.183 45.145 45.100 -0.229 0.000 0.676 156 G HN 1.333 nan 8.290 nan 0.000 0.522 157 A N -0.432 122.371 122.820 -0.029 0.000 2.325 157 A HA 0.851 5.171 4.320 0.000 0.000 0.333 157 A C 0.148 177.765 177.584 0.056 0.000 1.155 157 A CA -0.515 51.552 52.037 0.050 0.000 0.814 157 A CB 1.352 20.295 19.000 -0.095 0.000 1.206 157 A HN 1.520 nan 8.150 nan 0.000 0.482 158 L N 1.896 123.092 121.223 -0.046 0.000 2.455 158 L HA 0.258 4.599 4.340 0.000 0.000 0.272 158 L C 0.440 177.217 176.870 -0.156 0.000 1.174 158 L CA 0.763 55.296 54.840 -0.511 0.000 0.869 158 L CB 0.867 42.682 42.059 -0.406 0.000 1.130 158 L HN 0.497 nan 8.230 nan 0.000 0.474 159 S N 4.612 120.182 115.700 -0.216 0.000 3.919 159 S HA 0.047 4.517 4.470 0.000 0.000 0.245 159 S C 1.171 175.730 174.600 -0.069 0.000 1.344 159 S CA -0.015 58.111 58.200 -0.122 0.000 0.896 159 S CB 0.351 63.462 63.200 -0.147 0.000 1.557 159 S HN 0.674 nan 8.310 nan 0.000 0.468 160 V N 3.153 123.026 119.914 -0.069 0.000 2.453 160 V HA -0.187 3.933 4.120 0.000 0.000 0.247 160 V C 2.244 178.340 176.094 0.003 0.000 1.048 160 V CA 2.252 64.537 62.300 -0.026 0.000 1.049 160 V CB -0.240 31.585 31.823 0.003 0.000 0.672 160 V HN 0.824 nan 8.190 nan 0.000 0.457 161 E N 1.189 121.356 120.200 -0.055 0.000 2.150 161 E HA -0.064 4.287 4.350 0.000 0.000 0.193 161 E C 2.033 178.779 176.600 0.243 0.000 0.985 161 E CA 1.654 58.073 56.400 0.032 0.000 0.814 161 E CB -0.886 28.791 29.700 -0.039 0.000 0.752 161 E HN 0.542 nan 8.360 nan 0.000 0.466 162 A N 1.153 124.106 122.820 0.220 0.000 1.877 162 A HA -0.105 4.215 4.320 0.000 0.000 0.216 162 A C 2.226 180.210 177.584 0.666 0.000 1.186 162 A CA 1.560 53.855 52.037 0.431 0.000 0.620 162 A CB -0.809 18.279 19.000 0.147 0.000 0.822 162 A HN 0.332 nan 8.150 nan 0.000 0.443 163 L N -0.215 121.312 121.223 0.505 0.000 2.005 163 L HA -0.078 4.262 4.340 0.000 0.000 0.207 163 L C 2.305 179.360 176.870 0.307 0.000 1.072 163 L CA 1.754 56.845 54.840 0.419 0.000 0.744 163 L CB -0.494 41.651 42.059 0.144 0.000 0.895 163 L HN 0.402 nan 8.230 nan 0.000 0.433 164 L N -0.974 120.362 121.223 0.189 0.000 2.109 164 L HA -0.045 4.296 4.340 0.000 0.000 0.207 164 L C 2.532 179.433 176.870 0.051 0.000 1.086 164 L CA 1.048 55.951 54.840 0.105 0.000 0.760 164 L CB -1.462 40.634 42.059 0.062 0.000 0.910 164 L HN 0.456 nan 8.230 nan 0.000 0.437 165 G N -0.432 108.394 108.800 0.043 0.000 2.459 165 G HA2 -0.326 3.634 3.960 0.000 0.000 0.217 165 G HA3 -0.326 3.634 3.960 0.000 0.000 0.217 165 G C 1.282 175.824 174.900 -0.597 0.000 1.183 165 G CA 0.631 45.557 45.100 -0.290 0.000 0.776 165 G HN 0.447 nan 8.290 nan 0.000 0.552 166 W N 1.742 122.737 121.300 -0.507 0.000 2.381 166 W HA -0.032 4.629 4.660 0.000 0.000 0.301 166 W C 2.913 179.426 176.519 -0.009 0.000 1.205 166 W CA 1.688 58.914 57.345 -0.198 0.000 1.285 166 W CB -0.225 29.518 29.460 0.471 0.000 1.133 166 W HN 0.196 nan 8.180 nan 0.000 0.521 167 S N 0.367 116.176 115.700 0.182 0.000 2.370 167 S HA -0.217 4.253 4.470 0.000 0.000 0.226 167 S C 2.001 176.515 174.600 -0.143 0.000 1.033 167 S CA 1.576 59.792 58.200 0.028 0.000 1.011 167 S CB -1.012 62.294 63.200 0.176 0.000 0.852 167 S HN 0.379 nan 8.310 nan 0.000 0.457 168 A N 1.121 123.856 122.820 -0.141 0.000 1.933 168 A HA 0.014 4.334 4.320 0.000 0.000 0.218 168 A C 2.107 179.544 177.584 -0.244 0.000 1.175 168 A CA 1.082 53.016 52.037 -0.173 0.000 0.628 168 A CB -0.604 18.304 19.000 -0.152 0.000 0.814 168 A HN 0.453 nan 8.150 nan 0.000 0.444 169 L N -0.448 120.586 121.223 -0.316 0.000 2.072 169 L HA -0.114 4.227 4.340 0.000 0.000 0.205 169 L C 2.353 179.031 176.870 -0.319 0.000 1.079 169 L CA 0.557 55.212 54.840 -0.307 0.000 0.752 169 L CB -0.324 41.538 42.059 -0.328 0.000 0.906 169 L HN 0.302 nan 8.230 nan 0.000 0.436 170 I N 0.115 120.393 120.570 -0.488 0.000 2.226 170 I HA -0.184 3.987 4.170 0.000 0.000 0.245 170 I C 2.626 178.562 176.117 -0.301 0.000 1.100 170 I CA 1.665 62.673 61.300 -0.487 0.000 1.374 170 I CB -1.735 35.795 38.000 -0.782 0.000 1.057 170 I HN 0.254 nan 8.210 nan 0.000 0.413 171 G N 0.315 108.973 108.800 -0.237 0.000 2.440 171 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 171 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 171 G C 1.674 176.501 174.900 -0.121 0.000 1.154 171 G CA 1.427 46.437 45.100 -0.150 0.000 0.767 171 G HN 0.310 nan 8.290 nan 0.000 0.552 172 T N 0.957 115.417 114.554 -0.157 0.000 2.720 172 T HA -0.066 4.284 4.350 0.000 0.000 0.268 172 T C 2.494 177.221 174.700 0.045 0.000 1.037 172 T CA 1.556 63.578 62.100 -0.129 0.000 1.144 172 T CB -0.623 68.076 68.868 -0.281 0.000 0.864 172 T HN 0.373 nan 8.240 nan 0.000 0.444 173 G N 1.487 110.274 108.800 -0.021 0.000 2.446 173 G HA2 -0.168 3.793 3.960 0.000 0.000 0.217 173 G HA3 -0.168 3.793 3.960 0.000 0.000 0.217 173 G C 1.477 176.309 174.900 -0.115 0.000 1.168 173 G CA 0.740 45.850 45.100 0.017 0.000 0.771 173 G HN 0.449 nan 8.290 nan 0.000 0.551 174 L N -0.024 121.091 121.223 -0.179 0.000 1.970 174 L HA -0.129 4.211 4.340 0.000 0.000 0.212 174 L C 2.782 179.590 176.870 -0.103 0.000 1.071 174 L CA 0.754 55.470 54.840 -0.207 0.000 0.751 174 L CB -0.649 41.309 42.059 -0.167 0.000 0.889 174 L HN 0.077 nan 8.230 nan 0.000 0.432 175 I N 0.084 120.653 120.570 -0.001 0.000 2.145 175 I HA -0.302 3.868 4.170 0.000 0.000 0.244 175 I C 2.544 178.679 176.117 0.030 0.000 1.075 175 I CA 1.883 63.219 61.300 0.060 0.000 1.332 175 I CB -1.321 36.820 38.000 0.236 0.000 1.033 175 I HN 0.271 nan 8.210 nan 0.000 0.410 176 T N -0.552 114.061 114.554 0.098 0.000 2.995 176 T HA -0.052 4.298 4.350 0.000 0.000 0.269 176 T C 1.671 176.392 174.700 0.035 0.000 1.091 176 T CA 1.205 63.346 62.100 0.068 0.000 1.128 176 T CB -0.324 68.660 68.868 0.193 0.000 0.891 176 T HN 0.512 nan 8.240 nan 0.000 0.492 177 S N 0.433 116.111 115.700 -0.037 0.000 2.556 177 S HA 0.198 4.668 4.470 0.000 0.000 0.216 177 S C 0.713 175.265 174.600 -0.080 0.000 0.970 177 S CA -0.634 57.529 58.200 -0.062 0.000 0.912 177 S CB -0.114 62.861 63.200 -0.374 0.000 0.790 177 S HN 0.199 nan 8.310 nan 0.000 0.504 178 R N 3.307 123.764 120.500 -0.072 0.000 2.504 178 R HA 0.046 4.386 4.340 0.000 0.000 0.291 178 R C -0.109 176.167 176.300 -0.040 0.000 0.974 178 R CA 0.474 56.537 56.100 -0.063 0.000 1.077 178 R CB 0.084 30.354 30.300 -0.051 0.000 0.926 178 R HN 0.577 nan 8.270 nan 0.000 0.407 179 S N 3.597 119.274 115.700 -0.038 0.000 2.416 179 S HA 0.102 4.572 4.470 0.000 0.000 0.302 179 S C -0.547 174.038 174.600 -0.024 0.000 1.120 179 S CA -0.823 57.363 58.200 -0.023 0.000 1.067 179 S CB 0.376 63.563 63.200 -0.021 0.000 1.057 179 S HN 0.562 nan 8.310 nan 0.000 0.518 180 D N 0.865 121.252 120.400 -0.022 0.000 4.669 180 D HA -0.095 4.546 4.640 0.000 0.000 0.240 180 D C 0.396 176.679 176.300 -0.027 0.000 1.111 180 D CA 0.873 54.860 54.000 -0.022 0.000 1.179 180 D CB -1.165 39.624 40.800 -0.018 0.000 0.750 180 D HN 0.954 nan 8.370 nan 0.000 0.360 181 A N 3.301 126.102 122.820 -0.032 0.000 2.547 181 A HA 0.315 4.636 4.320 0.000 0.000 0.233 181 A C 0.891 178.459 177.584 -0.027 0.000 1.067 181 A CA 0.448 52.463 52.037 -0.036 0.000 0.763 181 A CB 0.561 19.534 19.000 -0.046 0.000 1.007 181 A HN 0.441 nan 8.150 nan 0.000 0.506 182 R N 1.462 121.948 120.500 -0.023 0.000 2.643 182 R HA 0.377 4.717 4.340 0.000 0.000 0.272 182 R C -1.928 174.364 176.300 -0.013 0.000 0.995 182 R CA -1.768 54.322 56.100 -0.015 0.000 1.032 182 R CB 0.612 30.905 30.300 -0.011 0.000 1.126 182 R HN 0.439 nan 8.270 nan 0.000 0.505 183 P HA -0.200 nan 4.420 nan 0.000 0.218 183 P C 0.605 177.904 177.300 -0.001 0.000 1.148 183 P CA 1.197 64.293 63.100 -0.007 0.000 0.822 183 P CB 0.234 31.931 31.700 -0.004 0.000 0.784 184 E N -0.891 119.312 120.200 0.004 0.000 2.489 184 E HA -0.078 4.273 4.350 0.000 0.000 0.193 184 E C 0.690 177.305 176.600 0.024 0.000 1.057 184 E CA 0.501 56.908 56.400 0.013 0.000 0.866 184 E CB -0.726 28.982 29.700 0.013 0.000 0.916 184 E HN 0.188 nan 8.360 nan 0.000 0.500 185 D N 2.259 122.669 120.400 0.016 0.000 2.117 185 D HA -0.089 4.552 4.640 0.000 0.000 0.197 185 D C 1.930 178.264 176.300 0.057 0.000 0.987 185 D CA 1.921 55.940 54.000 0.032 0.000 0.829 185 D CB -0.212 40.586 40.800 -0.003 0.000 0.961 185 D HN 0.350 nan 8.370 nan 0.000 0.460 186 A N 0.898 123.730 122.820 0.019 0.000 1.908 186 A HA -0.084 4.236 4.320 0.000 0.000 0.218 186 A C 2.269 179.907 177.584 0.090 0.000 1.181 186 A CA 2.385 54.436 52.037 0.024 0.000 0.627 186 A CB -0.623 18.375 19.000 -0.003 0.000 0.818 186 A HN 0.255 nan 8.150 nan 0.000 0.445 187 A N -0.762 122.098 122.820 0.066 0.000 2.021 187 A HA -0.010 4.310 4.320 0.000 0.000 0.216 187 A C 1.701 179.332 177.584 0.077 0.000 1.163 187 A CA 1.447 53.523 52.037 0.066 0.000 0.676 187 A CB -0.375 18.649 19.000 0.040 0.000 0.818 187 A HN 0.406 nan 8.150 nan 0.000 0.453 188 D N -0.790 119.660 120.400 0.083 0.000 2.144 188 D HA -0.134 4.506 4.640 0.000 0.000 0.199 188 D C 1.518 177.871 176.300 0.088 0.000 0.984 188 D CA 1.021 55.063 54.000 0.070 0.000 0.834 188 D CB -0.353 40.486 40.800 0.066 0.000 0.955 188 D HN 0.471 nan 8.370 nan 0.000 0.465 189 F N 0.845 120.786 119.950 -0.015 0.000 2.102 189 F HA -0.212 4.315 4.527 0.000 0.000 0.298 189 F C 2.339 178.133 175.800 -0.010 0.000 1.105 189 F CA 0.886 58.877 58.000 -0.015 0.000 1.239 189 F CB -0.131 38.861 39.000 -0.014 0.000 0.991 189 F HN -0.212 nan 8.300 nan 0.000 0.474 190 V N 0.172 120.194 119.914 0.180 0.000 2.282 190 V HA -0.388 3.733 4.120 0.000 0.000 0.249 190 V C 2.222 178.323 176.094 0.011 0.000 1.057 190 V CA 2.382 64.735 62.300 0.089 0.000 1.032 190 V CB -0.767 31.109 31.823 0.088 0.000 0.645 190 V HN 0.417 nan 8.190 nan 0.000 0.447 191 Q N -0.852 118.953 119.800 0.009 0.000 2.119 191 Q HA -0.116 4.225 4.340 0.000 0.000 0.201 191 Q C 2.281 178.251 176.000 -0.050 0.000 0.972 191 Q CA 1.340 57.137 55.803 -0.010 0.000 0.847 191 Q CB -0.179 28.560 28.738 0.002 0.000 0.903 191 Q HN 0.557 nan 8.270 nan 0.000 0.433 192 L N 0.021 121.183 121.223 -0.102 0.000 2.093 192 L HA -0.143 4.197 4.340 0.000 0.000 0.208 192 L C 2.452 179.222 176.870 -0.166 0.000 1.085 192 L CA 0.910 55.656 54.840 -0.158 0.000 0.755 192 L CB -0.484 41.423 42.059 -0.254 0.000 0.904 192 L HN 0.187 nan 8.230 nan 0.000 0.435 193 A N 0.006 122.716 122.820 -0.183 0.000 1.930 193 A HA -0.128 4.192 4.320 0.000 0.000 0.217 193 A C 2.537 180.086 177.584 -0.058 0.000 1.175 193 A CA 1.541 53.500 52.037 -0.130 0.000 0.627 193 A CB -0.644 18.297 19.000 -0.099 0.000 0.815 193 A HN 0.379 nan 8.150 nan 0.000 0.443 194 A N -0.051 122.746 122.820 -0.038 0.000 1.933 194 A HA -0.082 4.238 4.320 0.000 0.000 0.218 194 A C 2.093 179.674 177.584 -0.005 0.000 1.175 194 A CA 1.501 53.533 52.037 -0.010 0.000 0.628 194 A CB -0.561 18.439 19.000 0.000 0.000 0.814 194 A HN 0.508 nan 8.150 nan 0.000 0.444 195 I N -0.583 119.976 120.570 -0.020 0.000 2.202 195 I HA -0.240 3.930 4.170 0.000 0.000 0.242 195 I C 2.289 178.407 176.117 0.001 0.000 1.091 195 I CA 1.128 62.422 61.300 -0.008 0.000 1.368 195 I CB -0.279 37.706 38.000 -0.025 0.000 1.058 195 I HN 0.273 nan 8.210 nan 0.000 0.410 196 L N 0.451 121.659 121.223 -0.026 0.000 2.201 196 L HA -0.171 4.169 4.340 0.000 0.000 0.212 196 L C 1.947 178.833 176.870 0.027 0.000 1.105 196 L CA 0.951 55.787 54.840 -0.007 0.000 0.775 196 L CB -0.588 41.441 42.059 -0.050 0.000 0.913 196 L HN 0.319 nan 8.230 nan 0.000 0.440 197 N N -0.679 118.032 118.700 0.017 0.000 2.494 197 N HA -0.085 4.655 4.740 0.000 0.000 0.182 197 N C 0.093 175.635 175.510 0.053 0.000 1.076 197 N CA 0.800 53.868 53.050 0.030 0.000 0.908 197 N CB 0.105 38.603 38.487 0.020 0.000 0.967 197 N HN 0.205 nan 8.380 nan 0.000 0.449 198 D N -0.236 120.203 120.400 0.065 0.000 2.823 198 D HA 0.131 4.771 4.640 0.000 0.000 0.255 198 D C 0.771 177.125 176.300 0.089 0.000 1.257 198 D CA -0.211 53.843 54.000 0.091 0.000 0.803 198 D CB 0.195 41.036 40.800 0.068 0.000 1.384 198 D HN -0.317 nan 8.370 nan 0.000 0.541 199 V N 1.379 121.371 119.914 0.131 0.000 2.427 199 V HA -0.129 3.991 4.120 0.000 0.000 0.248 199 V C 2.617 178.682 176.094 -0.049 0.000 1.051 199 V CA 2.005 64.348 62.300 0.070 0.000 1.048 199 V CB -0.634 31.270 31.823 0.134 0.000 0.666 199 V HN 0.536 nan 8.190 nan 0.000 0.456 200 A N 0.840 123.575 122.820 -0.142 0.000 1.908 200 A HA -0.133 4.188 4.320 0.000 0.000 0.218 200 A C 2.439 180.034 177.584 0.017 0.000 1.181 200 A CA 2.104 53.969 52.037 -0.287 0.000 0.627 200 A CB -1.288 17.531 19.000 -0.302 0.000 0.818 200 A HN 0.520 nan 8.150 nan 0.000 0.445 201 G N -0.570 108.267 108.800 0.061 0.000 2.421 201 G HA2 -0.017 3.943 3.960 0.000 0.000 0.216 201 G HA3 -0.017 3.943 3.960 0.000 0.000 0.216 201 G C 1.770 176.719 174.900 0.082 0.000 1.171 201 G CA 1.542 46.694 45.100 0.087 0.000 0.775 201 G HN 0.859 nan 8.290 nan 0.000 0.543 202 A N 0.979 123.833 122.820 0.057 0.000 1.940 202 A HA 0.274 4.594 4.320 0.000 0.000 0.219 202 A C 2.645 180.272 177.584 0.072 0.000 1.176 202 A CA 2.191 54.259 52.037 0.051 0.000 0.631 202 A CB -0.558 18.461 19.000 0.033 0.000 0.814 202 A HN 0.862 nan 8.150 nan 0.000 0.446 203 A N -1.124 121.746 122.820 0.082 0.000 2.208 203 A HA 0.228 4.549 4.320 0.000 0.000 0.209 203 A C 2.000 179.778 177.584 0.324 0.000 1.161 203 A CA 1.175 53.298 52.037 0.142 0.000 0.782 203 A CB -0.328 18.670 19.000 -0.004 0.000 0.816 203 A HN 0.370 nan 8.150 nan 0.000 0.477 204 S N -0.305 115.563 115.700 0.280 0.000 2.528 204 S HA 0.102 4.572 4.470 0.000 0.000 0.219 204 S C 0.901 175.549 174.600 0.081 0.000 0.985 204 S CA 0.366 58.683 58.200 0.195 0.000 0.914 204 S CB -0.447 62.849 63.200 0.161 0.000 0.776 204 S HN 0.637 nan 8.310 nan 0.000 0.526 205 V N 2.190 122.152 119.914 0.080 0.000 2.963 205 V HA 0.535 4.655 4.120 0.000 0.000 0.306 205 V C 0.005 176.120 176.094 0.036 0.000 1.077 205 V CA -0.417 61.911 62.300 0.046 0.000 1.124 205 V CB 0.594 32.443 31.823 0.042 0.000 0.987 205 V HN 0.322 nan 8.190 nan 0.000 0.487 206 T N 1.715 116.281 114.554 0.019 0.000 2.893 206 T HA 0.678 5.029 4.350 0.000 0.000 0.293 206 T C -2.898 171.809 174.700 0.011 0.000 1.027 206 T CA -1.686 60.422 62.100 0.013 0.000 0.988 206 T CB 1.366 70.233 68.868 -0.002 0.000 1.043 206 T HN 0.734 nan 8.240 nan 0.000 0.461 207 P HA 0.150 nan 4.420 nan 0.000 0.268 207 P C 0.851 178.167 177.300 0.027 0.000 1.204 207 P CA -0.655 62.456 63.100 0.018 0.000 0.768 207 P CB 0.490 32.200 31.700 0.015 0.000 0.842 208 L N 3.843 125.088 121.223 0.036 0.000 2.127 208 L HA -0.164 4.176 4.340 0.000 0.000 0.211 208 L C 2.039 178.930 176.870 0.035 0.000 1.089 208 L CA 2.116 56.984 54.840 0.046 0.000 0.757 208 L CB -1.414 40.683 42.059 0.063 0.000 0.899 208 L HN 0.474 nan 8.230 nan 0.000 0.434 209 A N -1.316 121.521 122.820 0.030 0.000 2.121 209 A HA -0.093 4.227 4.320 0.000 0.000 0.218 209 A C 1.019 178.612 177.584 0.015 0.000 1.154 209 A CA 0.440 52.490 52.037 0.021 0.000 0.679 209 A CB -0.627 18.384 19.000 0.018 0.000 0.795 209 A HN 0.572 nan 8.150 nan 0.000 0.458 210 E N 1.328 121.539 120.200 0.018 0.000 2.052 210 E HA 0.231 4.581 4.350 0.000 0.000 0.283 210 E C -0.856 175.754 176.600 0.018 0.000 1.071 210 E CA -0.164 56.245 56.400 0.015 0.000 0.851 210 E CB 0.432 30.140 29.700 0.014 0.000 1.066 210 E HN 0.261 nan 8.360 nan 0.000 0.396 211 Q N 3.339 123.149 119.800 0.017 0.000 2.932 211 Q HA 0.183 4.523 4.340 0.000 0.000 0.248 211 Q C -2.116 173.894 176.000 0.017 0.000 0.982 211 Q CA -1.778 54.036 55.803 0.018 0.000 0.730 211 Q CB 1.381 30.130 28.738 0.019 0.000 1.249 211 Q HN 0.370 nan 8.270 nan 0.000 0.476 212 P HA -0.158 nan 4.420 nan 0.000 0.216 212 P C 1.370 178.678 177.300 0.014 0.000 1.153 212 P CA 0.684 63.792 63.100 0.014 0.000 0.848 212 P CB 0.429 32.136 31.700 0.013 0.000 0.787 213 L N -1.279 119.951 121.223 0.012 0.000 2.049 213 L HA -0.016 4.324 4.340 0.000 0.000 0.203 213 L C 2.193 179.070 176.870 0.012 0.000 1.074 213 L CA 1.661 56.507 54.840 0.009 0.000 0.749 213 L CB -1.257 40.805 42.059 0.004 0.000 0.907 213 L HN -0.184 nan 8.230 nan 0.000 0.439 214 L N -0.296 120.936 121.223 0.015 0.000 2.093 214 L HA -0.057 4.283 4.340 0.000 0.000 0.208 214 L C 2.504 179.399 176.870 0.041 0.000 1.085 214 L CA 1.096 55.952 54.840 0.025 0.000 0.755 214 L CB -1.336 40.742 42.059 0.032 0.000 0.904 214 L HN 0.498 nan 8.230 nan 0.000 0.435 215 G N -0.182 108.638 108.800 0.033 0.000 2.443 215 G HA2 -0.258 3.703 3.960 0.000 0.000 0.219 215 G HA3 -0.258 3.703 3.960 0.000 0.000 0.219 215 G C 1.758 176.680 174.900 0.037 0.000 1.131 215 G CA 0.611 45.733 45.100 0.036 0.000 0.775 215 G HN 0.303 nan 8.290 nan 0.000 0.547 216 R N -0.239 120.278 120.500 0.028 0.000 2.066 216 R HA 0.221 4.561 4.340 0.000 0.000 0.224 216 R C 2.341 178.656 176.300 0.026 0.000 1.122 216 R CA 0.492 56.606 56.100 0.024 0.000 0.974 216 R CB -0.344 29.965 30.300 0.016 0.000 0.871 216 R HN 0.327 nan 8.270 nan 0.000 0.435 217 L N 0.310 121.547 121.223 0.023 0.000 2.156 217 L HA 0.072 4.412 4.340 0.000 0.000 0.208 217 L C 1.242 178.136 176.870 0.039 0.000 1.095 217 L CA 0.857 55.708 54.840 0.017 0.000 0.770 217 L CB 0.124 42.182 42.059 -0.000 0.000 0.914 217 L HN 0.312 nan 8.230 nan 0.000 0.439 218 I N -0.795 119.818 120.570 0.071 0.000 2.714 218 I HA 0.196 4.366 4.170 0.000 0.000 0.274 218 I C -2.127 174.094 176.117 0.173 0.000 1.261 218 I CA -1.650 59.728 61.300 0.131 0.000 1.008 218 I CB 1.486 39.586 38.000 0.166 0.000 1.289 218 I HN -0.190 nan 8.210 nan 0.000 0.529 219 P HA -0.199 nan 4.420 nan 0.000 0.217 219 P C 1.263 178.646 177.300 0.138 0.000 1.148 219 P CA 1.459 64.622 63.100 0.106 0.000 0.834 219 P CB -0.056 31.690 31.700 0.077 0.000 0.783 220 W N 0.453 121.736 121.300 -0.028 0.000 2.308 220 W HA -0.272 4.389 4.660 0.000 0.000 0.301 220 W C 1.673 178.173 176.519 -0.033 0.000 1.220 220 W CA 1.327 58.644 57.345 -0.046 0.000 1.240 220 W CB -1.057 28.359 29.460 -0.072 0.000 1.142 220 W HN -0.271 nan 8.180 nan 0.000 0.521 221 V N 1.177 121.133 119.914 0.070 0.000 2.278 221 V HA -0.378 3.743 4.120 0.000 0.000 0.251 221 V C 2.151 178.084 176.094 -0.269 0.000 1.062 221 V CA 2.149 64.327 62.300 -0.203 0.000 1.038 221 V CB -0.822 31.025 31.823 0.040 0.000 0.646 221 V HN 0.247 nan 8.190 nan 0.000 0.447 222 I N -0.662 119.833 120.570 -0.124 0.000 2.512 222 I HA -0.007 4.164 4.170 0.000 0.000 0.247 222 I C 2.223 178.288 176.117 -0.087 0.000 1.094 222 I CA 0.966 62.215 61.300 -0.085 0.000 1.427 222 I CB -1.363 36.620 38.000 -0.028 0.000 1.149 222 I HN 0.276 nan 8.210 nan 0.000 0.438 223 D N 0.750 121.110 120.400 -0.067 0.000 2.123 223 D HA -0.233 4.407 4.640 0.000 0.000 0.196 223 D C 2.106 178.395 176.300 -0.018 0.000 0.992 223 D CA 1.508 55.493 54.000 -0.025 0.000 0.833 223 D CB 0.015 40.819 40.800 0.005 0.000 0.954 223 D HN 0.316 nan 8.370 nan 0.000 0.455 224 Q N 0.075 119.740 119.800 -0.224 0.000 2.263 224 Q HA 0.039 4.379 4.340 0.000 0.000 0.196 224 Q C 1.943 177.771 176.000 -0.286 0.000 0.965 224 Q CA 0.879 56.464 55.803 -0.363 0.000 0.851 224 Q CB -0.214 28.116 28.738 -0.682 0.000 0.948 224 Q HN 0.088 nan 8.270 nan 0.000 0.516 225 V N -0.119 119.498 119.914 -0.494 0.000 2.300 225 V HA -0.084 4.036 4.120 0.000 0.000 0.241 225 V C 2.274 178.486 176.094 0.196 0.000 1.034 225 V CA 1.412 63.645 62.300 -0.111 0.000 1.021 225 V CB -0.550 30.974 31.823 -0.498 0.000 0.662 225 V HN 0.223 nan 8.190 nan 0.000 0.458 226 V N 0.377 120.299 119.914 0.013 0.000 2.427 226 V HA -0.207 3.913 4.120 0.000 0.000 0.248 226 V C 1.993 178.172 176.094 0.143 0.000 1.051 226 V CA 1.975 64.337 62.300 0.103 0.000 1.048 226 V CB -0.634 31.201 31.823 0.020 0.000 0.666 226 V HN 0.536 nan 8.190 nan 0.000 0.456 227 D N -1.420 119.017 120.400 0.061 0.000 2.363 227 D HA -0.012 4.628 4.640 0.000 0.000 0.226 227 D C 0.792 176.988 176.300 -0.173 0.000 1.020 227 D CA 0.634 54.601 54.000 -0.055 0.000 0.892 227 D CB -0.156 40.557 40.800 -0.145 0.000 0.900 227 D HN 0.506 nan 8.370 nan 0.000 0.531 228 H N 0.066 119.233 119.070 0.161 0.000 2.418 228 H HA 0.152 4.708 4.556 0.001 0.000 0.238 228 H C -1.643 173.851 175.328 0.277 0.000 1.403 228 H CA -1.275 54.898 56.048 0.208 0.000 1.419 228 H CB 1.557 31.402 29.762 0.138 0.000 1.463 228 H HN 0.054 nan 8.280 nan 0.000 0.515 229 P HA -0.057 nan 4.420 nan 0.000 0.229 229 P C 0.064 177.329 177.300 -0.059 0.000 1.160 229 P CA 0.524 63.663 63.100 0.063 0.000 0.777 229 P CB 0.646 32.522 31.700 0.294 0.000 0.814 230 D N 0.521 120.981 120.400 0.100 0.000 2.253 230 D HA 0.061 4.701 4.640 0.000 0.000 0.249 230 D C 0.276 176.462 176.300 -0.191 0.000 1.049 230 D CA -0.341 53.662 54.000 0.005 0.000 0.929 230 D CB 0.163 41.053 40.800 0.150 0.000 1.176 230 D HN -0.163 nan 8.370 nan 0.000 0.437 231 N N 1.795 120.124 118.700 -0.619 0.000 2.971 231 N HA -0.009 4.732 4.740 0.000 0.000 0.294 231 N C -0.764 174.624 175.510 -0.203 0.000 1.210 231 N CA -0.258 52.289 53.050 -0.837 0.000 1.157 231 N CB -0.239 37.496 38.487 -1.253 0.000 1.450 231 N HN 0.291 nan 8.380 nan 0.000 0.527 232 D N -0.250 120.197 120.400 0.078 0.000 2.530 232 D HA 0.169 4.809 4.640 0.000 0.000 0.282 232 D C 0.801 177.144 176.300 0.072 0.000 1.204 232 D CA -0.239 53.809 54.000 0.081 0.000 1.093 232 D CB 0.199 41.082 40.800 0.139 0.000 1.154 232 D HN -0.011 nan 8.370 nan 0.000 0.593 233 E N -0.613 119.607 120.200 0.032 0.000 2.150 233 E HA -0.111 4.239 4.350 0.000 0.000 0.193 233 E C 2.028 178.602 176.600 -0.045 0.000 0.985 233 E CA 1.663 58.065 56.400 0.004 0.000 0.814 233 E CB -0.456 29.245 29.700 0.002 0.000 0.752 233 E HN 0.493 nan 8.360 nan 0.000 0.466 234 S N -0.491 115.119 115.700 -0.150 0.000 2.383 234 S HA -0.210 4.261 4.470 0.000 0.000 0.229 234 S C 1.890 176.308 174.600 -0.304 0.000 1.030 234 S CA 1.016 59.008 58.200 -0.347 0.000 1.002 234 S CB -0.726 62.008 63.200 -0.776 0.000 0.829 234 S HN 0.447 nan 8.310 nan 0.000 0.467 235 W N 1.191 122.444 121.300 -0.079 0.000 2.453 235 W HA 0.181 4.842 4.660 0.000 0.000 0.289 235 W C 2.937 179.453 176.519 -0.005 0.000 1.215 235 W CA 0.257 57.598 57.345 -0.006 0.000 1.297 235 W CB -0.348 29.107 29.460 -0.008 0.000 1.113 235 W HN 0.257 nan 8.180 nan 0.000 0.551 236 Q N 0.238 120.143 119.800 0.176 0.000 2.135 236 Q HA -0.147 4.193 4.340 0.000 0.000 0.204 236 Q C 2.124 178.171 176.000 0.079 0.000 0.981 236 Q CA 1.802 57.666 55.803 0.102 0.000 0.856 236 Q CB -0.875 27.895 28.738 0.053 0.000 0.902 236 Q HN 0.093 nan 8.270 nan 0.000 0.425 237 S N 0.174 115.902 115.700 0.047 0.000 2.400 237 S HA -0.112 4.359 4.470 0.000 0.000 0.232 237 S C 1.644 176.279 174.600 0.059 0.000 1.025 237 S CA 1.365 59.584 58.200 0.032 0.000 0.993 237 S CB -0.240 62.956 63.200 -0.005 0.000 0.808 237 S HN 0.647 nan 8.310 nan 0.000 0.478 238 I N -1.895 118.732 120.570 0.095 0.000 4.018 238 I HA 0.327 4.498 4.170 0.000 0.000 0.337 238 I C 0.645 176.835 176.117 0.122 0.000 1.327 238 I CA -0.335 61.033 61.300 0.114 0.000 1.100 238 I CB 0.143 38.230 38.000 0.145 0.000 1.025 238 I HN -0.015 nan 8.210 nan 0.000 0.396 239 S N 1.564 117.347 115.700 0.137 0.000 2.549 239 S HA 0.296 4.766 4.470 0.000 0.000 0.279 239 S C 0.826 175.483 174.600 0.095 0.000 1.321 239 S CA -0.405 57.869 58.200 0.124 0.000 1.054 239 S CB 0.804 64.080 63.200 0.128 0.000 0.899 239 S HN 0.327 nan 8.310 nan 0.000 0.497 240 L N 5.092 126.366 121.223 0.086 0.000 2.609 240 L HA 0.248 4.589 4.340 0.000 0.000 0.230 240 L C 1.576 178.450 176.870 0.007 0.000 1.087 240 L CA 0.570 55.442 54.840 0.053 0.000 0.874 240 L CB -1.836 40.263 42.059 0.067 0.000 1.114 240 L HN 0.766 nan 8.230 nan 0.000 0.488 241 F N 2.021 121.909 119.950 -0.103 0.000 2.120 241 F HA -0.210 4.317 4.527 0.001 0.000 0.300 241 F C 2.338 178.079 175.800 -0.099 0.000 1.095 241 F CA 1.632 59.544 58.000 -0.147 0.000 1.249 241 F CB 0.271 39.196 39.000 -0.125 0.000 0.995 241 F HN 0.073 nan 8.300 nan 0.000 0.480 242 E N 0.081 120.284 120.200 0.005 0.000 2.347 242 E HA -0.096 4.254 4.350 0.000 0.000 0.196 242 E C 2.133 178.661 176.600 -0.120 0.000 1.008 242 E CA 0.674 57.044 56.400 -0.050 0.000 0.852 242 E CB -0.254 29.468 29.700 0.038 0.000 0.783 242 E HN 0.497 nan 8.360 nan 0.000 0.505 243 R N -0.352 120.080 120.500 -0.113 0.000 2.280 243 R HA 0.094 4.434 4.340 0.000 0.000 0.195 243 R C 1.758 177.983 176.300 -0.125 0.000 0.935 243 R CA -0.119 55.930 56.100 -0.085 0.000 1.033 243 R CB 0.128 30.412 30.300 -0.026 0.000 0.964 243 R HN 0.016 nan 8.270 nan 0.000 0.489 244 L N -0.249 120.822 121.223 -0.254 0.000 2.141 244 L HA -0.019 4.322 4.340 0.000 0.000 0.209 244 L C 2.271 179.016 176.870 -0.207 0.000 1.094 244 L CA 1.689 56.374 54.840 -0.258 0.000 0.763 244 L CB -0.818 40.929 42.059 -0.520 0.000 0.908 244 L HN 0.220 nan 8.230 nan 0.000 0.437 245 G N -1.383 107.271 108.800 -0.243 0.000 2.509 245 G HA2 -0.125 3.835 3.960 0.000 0.000 0.218 245 G HA3 -0.125 3.835 3.960 0.000 0.000 0.218 245 G C 1.482 176.327 174.900 -0.092 0.000 1.124 245 G CA 0.623 45.625 45.100 -0.164 0.000 0.776 245 G HN 0.509 nan 8.290 nan 0.000 0.547 246 G N -0.253 108.501 108.800 -0.076 0.000 3.042 246 G HA2 0.379 4.339 3.960 0.000 0.000 0.212 246 G HA3 0.379 4.339 3.960 0.000 0.000 0.212 246 G C 0.610 175.496 174.900 -0.023 0.000 1.166 246 G CA -0.401 44.674 45.100 -0.041 0.000 0.767 246 G HN 0.341 nan 8.290 nan 0.000 0.546 247 L N -0.200 121.012 121.223 -0.019 0.000 2.454 247 L HA 0.630 4.970 4.340 0.000 0.000 0.256 247 L C 0.671 177.545 176.870 0.006 0.000 1.136 247 L CA -0.667 54.179 54.840 0.011 0.000 0.804 247 L CB 1.708 43.798 42.059 0.052 0.000 1.181 247 L HN 0.010 nan 8.230 nan 0.000 0.469 248 A N 0.260 123.088 122.820 0.012 0.000 2.843 248 A HA 0.378 4.698 4.320 0.000 0.000 0.248 248 A C -0.226 177.355 177.584 -0.005 0.000 0.904 248 A CA -0.270 51.768 52.037 0.002 0.000 1.091 248 A CB 0.168 19.166 19.000 -0.003 0.000 1.208 248 A HN 0.589 nan 8.150 nan 0.000 0.476 249 T N 2.933 117.495 114.554 0.013 0.000 2.758 249 T HA 0.496 4.847 4.350 0.000 0.000 0.285 249 T C -2.800 171.890 174.700 -0.017 0.000 0.981 249 T CA -1.085 61.011 62.100 -0.008 0.000 0.965 249 T CB 1.290 70.171 68.868 0.021 0.000 0.927 249 T HN 0.170 nan 8.240 nan 0.000 0.448 250 P HA 0.364 nan 4.420 nan 0.000 0.266 250 P C -1.238 176.167 177.300 0.175 0.000 1.195 250 P CA -0.217 62.826 63.100 -0.096 0.000 0.768 250 P CB 0.427 31.708 31.700 -0.698 0.000 0.838 251 A N 3.592 126.562 122.820 0.250 0.000 2.408 251 A HA 0.493 4.813 4.320 0.000 0.000 0.295 251 A C -1.162 176.362 177.584 -0.100 0.000 1.040 251 A CA -0.669 51.433 52.037 0.107 0.000 0.707 251 A CB 0.845 19.893 19.000 0.079 0.000 1.235 251 A HN 0.586 nan 8.150 nan 0.000 0.418 252 L N 4.356 125.265 121.223 -0.524 0.000 2.270 252 L HA 0.542 4.882 4.340 0.000 0.000 0.286 252 L C -1.237 175.449 176.870 -0.307 0.000 1.059 252 L CA -0.500 53.902 54.840 -0.729 0.000 0.839 252 L CB 0.037 41.240 42.059 -1.428 0.000 1.221 252 L HN 0.655 nan 8.230 nan 0.000 0.431 253 I N 3.904 124.410 120.570 -0.107 0.000 2.336 253 I HA 0.300 4.470 4.170 0.000 0.000 0.292 253 I C 0.051 176.156 176.117 -0.021 0.000 0.991 253 I CA -0.149 61.165 61.300 0.023 0.000 1.227 253 I CB 1.827 39.941 38.000 0.189 0.000 1.366 253 I HN 0.447 nan 8.210 nan 0.000 0.466 254 T N 5.246 119.818 114.554 0.030 0.000 2.855 254 T HA 0.820 5.170 4.350 0.000 0.000 0.281 254 T C -0.305 174.423 174.700 0.045 0.000 1.007 254 T CA -0.562 61.580 62.100 0.069 0.000 1.009 254 T CB 1.904 70.886 68.868 0.190 0.000 0.983 254 T HN 0.707 nan 8.240 nan 0.000 0.455 255 A N 1.351 124.165 122.820 -0.011 0.000 2.564 255 A HA 0.980 5.300 4.320 0.000 0.000 0.288 255 A C -0.430 177.096 177.584 -0.096 0.000 1.164 255 A CA -0.799 51.190 52.037 -0.079 0.000 0.712 255 A CB 1.669 20.523 19.000 -0.244 0.000 1.303 255 A HN 1.060 nan 8.150 nan 0.000 0.418 256 G N -1.639 107.099 108.800 -0.103 0.000 2.617 256 G HA2 0.473 4.433 3.960 0.000 0.000 0.306 256 G HA3 0.473 4.433 3.960 0.000 0.000 0.306 256 G C -0.134 174.614 174.900 -0.254 0.000 1.360 256 G CA -0.527 44.478 45.100 -0.158 0.000 0.983 256 G HN 0.784 nan 8.290 nan 0.000 0.496 257 W N 0.536 121.677 121.300 -0.265 0.000 2.364 257 W HA -0.067 4.594 4.660 0.000 0.000 0.281 257 W C 0.932 177.154 176.519 -0.495 0.000 1.219 257 W CA 0.303 57.392 57.345 -0.427 0.000 1.220 257 W CB 0.033 29.116 29.460 -0.627 0.000 1.127 257 W HN 0.595 nan 8.180 nan 0.000 0.556 258 Y N -0.615 119.787 120.300 0.169 0.000 2.636 258 Y HA 0.181 4.731 4.550 0.001 0.000 0.260 258 Y C -0.026 175.938 175.900 0.107 0.000 1.177 258 Y CA -0.772 57.409 58.100 0.134 0.000 1.209 258 Y CB -0.328 38.213 38.460 0.135 0.000 1.166 258 Y HN -0.264 nan 8.280 nan 0.000 0.531 259 D N -0.658 119.859 120.400 0.195 0.000 2.256 259 D HA 0.261 4.902 4.640 0.000 0.000 0.250 259 D C 1.636 177.996 176.300 0.100 0.000 1.093 259 D CA 0.254 54.366 54.000 0.187 0.000 0.882 259 D CB 1.431 42.361 40.800 0.216 0.000 1.185 259 D HN 0.317 nan 8.370 nan 0.000 0.437 260 G N 2.348 111.152 108.800 0.006 0.000 2.485 260 G HA2 -0.271 3.689 3.960 0.000 0.000 0.221 260 G HA3 -0.271 3.689 3.960 0.000 0.000 0.221 260 G C 0.966 175.682 174.900 -0.306 0.000 1.115 260 G CA 0.551 45.513 45.100 -0.230 0.000 0.751 260 G HN 0.567 nan 8.290 nan 0.000 0.567 261 F N -0.444 119.452 119.950 -0.089 0.000 2.765 261 F HA 0.251 4.778 4.527 0.001 0.000 0.302 261 F C 2.230 177.998 175.800 -0.053 0.000 1.111 261 F CA -0.279 57.669 58.000 -0.085 0.000 1.359 261 F CB 0.150 39.112 39.000 -0.063 0.000 1.097 261 F HN 0.023 nan 8.300 nan 0.000 0.577 262 V N 0.485 120.459 119.914 0.100 0.000 2.332 262 V HA -0.236 3.884 4.120 0.000 0.000 0.248 262 V C 2.411 178.526 176.094 0.035 0.000 1.055 262 V CA 2.566 64.889 62.300 0.039 0.000 1.038 262 V CB -0.869 30.963 31.823 0.016 0.000 0.651 262 V HN 0.413 nan 8.190 nan 0.000 0.450 263 G N -0.926 107.900 108.800 0.043 0.000 2.446 263 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 263 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 263 G C 1.474 176.396 174.900 0.036 0.000 1.168 263 G CA 0.877 46.008 45.100 0.053 0.000 0.771 263 G HN 0.540 nan 8.290 nan 0.000 0.551 264 E N 0.913 121.120 120.200 0.012 0.000 2.152 264 E HA -0.014 4.336 4.350 0.000 0.000 0.192 264 E C 2.952 179.587 176.600 0.059 0.000 0.983 264 E CA 0.743 57.141 56.400 -0.003 0.000 0.818 264 E CB -0.372 29.316 29.700 -0.020 0.000 0.758 264 E HN 0.341 nan 8.360 nan 0.000 0.467 265 S N 1.336 117.092 115.700 0.093 0.000 2.359 265 S HA -0.114 4.356 4.470 0.000 0.000 0.224 265 S C 2.161 176.816 174.600 0.091 0.000 1.035 265 S CA 0.899 59.163 58.200 0.107 0.000 1.018 265 S CB -0.300 62.939 63.200 0.066 0.000 0.876 265 S HN 0.191 nan 8.310 nan 0.000 0.448 266 L N 0.780 122.018 121.223 0.025 0.000 2.046 266 L HA -0.096 4.244 4.340 0.000 0.000 0.208 266 L C 2.706 179.718 176.870 0.237 0.000 1.077 266 L CA 1.251 56.102 54.840 0.020 0.000 0.747 266 L CB -0.420 41.612 42.059 -0.045 0.000 0.896 266 L HN 0.209 nan 8.230 nan 0.000 0.432 267 R N -0.386 120.238 120.500 0.206 0.000 2.120 267 R HA -0.136 4.204 4.340 0.000 0.000 0.234 267 R C 2.433 178.929 176.300 0.328 0.000 1.123 267 R CA 1.818 58.072 56.100 0.257 0.000 0.975 267 R CB -0.520 29.827 30.300 0.078 0.000 0.866 267 R HN 0.544 nan 8.270 nan 0.000 0.446 268 T N -1.404 113.281 114.554 0.219 0.000 2.821 268 T HA -0.167 4.183 4.350 0.000 0.000 0.267 268 T C 1.654 176.443 174.700 0.148 0.000 1.046 268 T CA 0.927 63.054 62.100 0.045 0.000 1.139 268 T CB -0.395 68.361 68.868 -0.187 0.000 0.871 268 T HN 0.214 nan 8.240 nan 0.000 0.454 269 F N 2.240 122.273 119.950 0.138 0.000 2.102 269 F HA -0.009 4.518 4.527 0.000 0.000 0.298 269 F C 2.249 178.148 175.800 0.164 0.000 1.105 269 F CA 0.987 59.080 58.000 0.155 0.000 1.239 269 F CB -0.495 38.577 39.000 0.119 0.000 0.991 269 F HN -0.002 nan 8.300 nan 0.000 0.474 270 V N 0.541 120.626 119.914 0.285 0.000 2.407 270 V HA -0.284 3.836 4.120 0.000 0.000 0.248 270 V C 2.685 178.787 176.094 0.013 0.000 1.055 270 V CA 1.701 64.106 62.300 0.174 0.000 1.049 270 V CB -1.492 30.518 31.823 0.313 0.000 0.662 270 V HN 0.503 nan 8.190 nan 0.000 0.455 271 A N 0.198 123.021 122.820 0.003 0.000 2.014 271 A HA -0.059 4.262 4.320 0.000 0.000 0.218 271 A C 2.164 179.654 177.584 -0.158 0.000 1.163 271 A CA 1.848 53.802 52.037 -0.138 0.000 0.652 271 A CB -0.304 18.460 19.000 -0.393 0.000 0.808 271 A HN 0.682 nan 8.150 nan 0.000 0.449 272 V N -2.239 117.595 119.914 -0.134 0.000 3.661 272 V HA 0.073 4.194 4.120 0.000 0.000 0.271 272 V C 1.742 177.752 176.094 -0.140 0.000 1.315 272 V CA 0.957 63.205 62.300 -0.087 0.000 1.072 272 V CB -0.487 31.370 31.823 0.056 0.000 0.830 272 V HN 0.636 nan 8.190 nan 0.000 0.443 273 K N 0.425 120.654 120.400 -0.285 0.000 2.283 273 K HA -0.110 4.210 4.320 0.000 0.000 0.202 273 K C 1.249 177.759 176.600 -0.151 0.000 1.048 273 K CA 1.800 57.877 56.287 -0.349 0.000 0.948 273 K CB -0.356 31.743 32.500 -0.669 0.000 0.742 273 K HN 0.379 nan 8.250 nan 0.000 0.458 274 D N 0.901 121.238 120.400 -0.105 0.000 2.289 274 D HA -0.029 4.611 4.640 0.000 0.000 0.207 274 D C 0.977 177.257 176.300 -0.033 0.000 0.966 274 D CA 0.640 54.609 54.000 -0.051 0.000 0.868 274 D CB 0.093 40.869 40.800 -0.040 0.000 0.943 274 D HN 0.306 nan 8.370 nan 0.000 0.514 275 N N -0.349 118.329 118.700 -0.037 0.000 2.197 275 N HA 0.269 5.009 4.740 0.000 0.000 0.201 275 N C 0.143 175.645 175.510 -0.012 0.000 1.148 275 N CA 0.103 53.140 53.050 -0.021 0.000 0.883 275 N CB 2.045 40.517 38.487 -0.026 0.000 1.012 275 N HN 0.011 nan 8.380 nan 0.000 0.507 276 A N 0.053 122.865 122.820 -0.014 0.000 2.536 276 A HA 0.281 4.601 4.320 0.000 0.000 0.293 276 A C -1.780 175.812 177.584 0.014 0.000 1.119 276 A CA -0.660 51.373 52.037 -0.006 0.000 0.654 276 A CB 0.637 19.622 19.000 -0.024 0.000 1.291 276 A HN -0.021 nan 8.150 nan 0.000 0.439 277 D N 0.870 121.288 120.400 0.030 0.000 2.367 277 D HA 0.501 5.141 4.640 0.000 0.000 0.255 277 D C 0.224 176.629 176.300 0.175 0.000 1.300 277 D CA 0.984 55.059 54.000 0.124 0.000 0.959 277 D CB 0.298 41.239 40.800 0.234 0.000 1.064 277 D HN 0.840 nan 8.370 nan 0.000 0.509 278 A N 4.679 127.582 122.820 0.139 0.000 2.312 278 A HA 0.807 5.127 4.320 0.000 0.000 0.328 278 A C -0.100 177.696 177.584 0.353 0.000 1.158 278 A CA -0.816 51.330 52.037 0.182 0.000 0.821 278 A CB 1.020 19.995 19.000 -0.041 0.000 1.170 278 A HN 0.511 nan 8.150 nan 0.000 0.490 279 R N 0.472 121.154 120.500 0.303 0.000 2.744 279 R HA 0.671 5.011 4.340 0.000 0.000 0.279 279 R C -1.910 174.433 176.300 0.072 0.000 0.977 279 R CA -0.776 55.432 56.100 0.180 0.000 0.906 279 R CB 1.735 31.993 30.300 -0.070 0.000 1.197 279 R HN 0.617 nan 8.270 nan 0.000 0.463 280 L N 1.116 122.250 121.223 -0.149 0.000 2.436 280 L HA 0.571 4.912 4.340 0.000 0.000 0.268 280 L C -1.485 175.248 176.870 -0.228 0.000 0.974 280 L CA -0.657 53.975 54.840 -0.347 0.000 0.826 280 L CB 2.352 43.863 42.059 -0.913 0.000 1.291 280 L HN 0.350 nan 8.230 nan 0.000 0.406 281 V N 5.188 125.003 119.914 -0.165 0.000 2.577 281 V HA 0.671 4.792 4.120 0.000 0.000 0.303 281 V C -0.926 175.108 176.094 -0.100 0.000 1.042 281 V CA -0.655 61.613 62.300 -0.053 0.000 0.872 281 V CB 2.069 33.912 31.823 0.033 0.000 0.998 281 V HN 0.500 nan 8.190 nan 0.000 0.423 282 V N 3.622 123.424 119.914 -0.186 0.000 2.482 282 V HA 0.810 4.930 4.120 0.000 0.000 0.295 282 V C 0.551 176.207 176.094 -0.730 0.000 1.026 282 V CA -0.226 61.710 62.300 -0.608 0.000 0.856 282 V CB 1.571 32.665 31.823 -1.215 0.000 1.001 282 V HN 0.957 nan 8.190 nan 0.000 0.424 283 G N 4.146 112.253 108.800 -1.154 0.000 2.552 283 G HA2 0.695 4.655 3.960 0.000 0.000 0.324 283 G HA3 0.695 4.655 3.960 0.000 0.000 0.324 283 G C -2.422 171.439 174.900 -1.732 0.000 1.217 283 G CA -1.621 42.269 45.100 -2.017 0.000 0.989 283 G HN 0.508 nan 8.290 nan 0.000 0.490 284 P HA 0.151 nan 4.420 nan 0.000 0.236 284 P C -0.667 176.449 177.300 -0.308 0.000 1.709 284 P CA -0.272 62.385 63.100 -0.738 0.000 0.942 284 P CB 0.033 30.965 31.700 -1.279 0.000 1.615 285 W N 1.020 122.342 121.300 0.036 0.000 2.436 285 W HA 0.371 5.032 4.660 0.000 0.000 0.347 285 W C 1.018 177.641 176.519 0.172 0.000 1.136 285 W CA -0.446 56.956 57.345 0.095 0.000 1.286 285 W CB 0.712 30.198 29.460 0.043 0.000 1.253 285 W HN -0.008 nan 8.180 nan 0.000 0.617 286 S N -0.771 115.156 115.700 0.377 0.000 2.767 286 S HA 0.172 4.642 4.470 0.000 0.000 0.300 286 S C 0.757 175.485 174.600 0.214 0.000 1.123 286 S CA -0.183 58.184 58.200 0.278 0.000 0.992 286 S CB 1.584 64.898 63.200 0.191 0.000 1.138 286 S HN 0.566 nan 8.310 nan 0.000 0.550 287 H N 0.860 119.973 119.070 0.073 0.000 2.353 287 H HA -0.030 4.527 4.556 0.000 0.000 0.300 287 H C 1.809 177.139 175.328 0.003 0.000 1.090 287 H CA 2.407 58.475 56.048 0.035 0.000 1.327 287 H CB -0.318 29.429 29.762 -0.024 0.000 1.383 287 H HN 0.631 nan 8.280 nan 0.000 0.508 288 S N -1.455 114.156 115.700 -0.148 0.000 2.556 288 S HA 0.050 4.520 4.470 0.000 0.000 0.216 288 S C 0.477 175.024 174.600 -0.087 0.000 0.970 288 S CA -0.180 57.908 58.200 -0.186 0.000 0.912 288 S CB 0.029 63.196 63.200 -0.055 0.000 0.790 288 S HN 0.428 nan 8.310 nan 0.000 0.504 289 N N 0.790 119.476 118.700 -0.022 0.000 2.576 289 N HA 0.381 5.122 4.740 0.000 0.000 0.269 289 N C -0.898 174.658 175.510 0.076 0.000 1.058 289 N CA -0.494 52.568 53.050 0.020 0.000 0.860 289 N CB 1.178 39.694 38.487 0.049 0.000 1.249 289 N HN 0.114 nan 8.380 nan 0.000 0.525 290 L N 2.335 123.545 121.223 -0.023 0.000 2.818 290 L HA 0.237 4.577 4.340 0.000 0.000 0.243 290 L C 1.954 178.843 176.870 0.032 0.000 1.185 290 L CA 0.253 55.022 54.840 -0.118 0.000 0.988 290 L CB 0.137 41.921 42.059 -0.458 0.000 1.292 290 L HN 0.649 nan 8.230 nan 0.000 0.519 291 T N -4.753 109.867 114.554 0.109 0.000 3.067 291 T HA 0.172 4.522 4.350 0.000 0.000 0.261 291 T C 1.746 176.567 174.700 0.202 0.000 1.110 291 T CA 0.689 62.859 62.100 0.118 0.000 1.113 291 T CB 0.078 68.986 68.868 0.066 0.000 0.917 291 T HN 0.368 nan 8.240 nan 0.000 0.499 292 G N 1.744 110.725 108.800 0.302 0.000 2.205 292 G HA2 -0.268 3.693 3.960 0.000 0.000 0.261 292 G HA3 -0.268 3.693 3.960 0.000 0.000 0.261 292 G C 0.191 175.236 174.900 0.241 0.000 0.980 292 G CA -0.012 45.285 45.100 0.328 0.000 0.632 292 G HN 0.683 nan 8.290 nan 0.000 0.533 293 R N 0.954 121.523 120.500 0.114 0.000 2.255 293 R HA 0.574 4.914 4.340 0.000 0.000 0.326 293 R C -0.359 175.928 176.300 -0.022 0.000 0.986 293 R CA -0.508 55.597 56.100 0.008 0.000 0.847 293 R CB 0.789 31.094 30.300 0.009 0.000 1.111 293 R HN 0.278 nan 8.270 nan 0.000 0.452 294 N N 0.504 119.142 118.700 -0.104 0.000 2.571 294 N HA 0.212 4.952 4.740 0.000 0.000 0.273 294 N C 0.337 175.764 175.510 -0.138 0.000 1.340 294 N CA -0.409 52.569 53.050 -0.120 0.000 0.789 294 N CB 1.905 40.292 38.487 -0.167 0.000 1.514 294 N HN 0.460 nan 8.380 nan 0.000 0.499 295 A N 0.195 122.940 122.820 -0.124 0.000 1.917 295 A HA -0.157 4.164 4.320 0.000 0.000 0.219 295 A C 0.748 178.249 177.584 -0.139 0.000 1.182 295 A CA 1.723 53.691 52.037 -0.114 0.000 0.633 295 A CB -0.139 18.800 19.000 -0.102 0.000 0.819 295 A HN 0.664 nan 8.150 nan 0.000 0.448 296 D N -2.355 117.937 120.400 -0.180 0.000 2.535 296 D HA 0.257 4.897 4.640 0.000 0.000 0.229 296 D C -0.138 175.984 176.300 -0.297 0.000 1.238 296 D CA 0.033 53.905 54.000 -0.214 0.000 0.824 296 D CB 0.569 41.244 40.800 -0.209 0.000 1.045 296 D HN 0.255 nan 8.370 nan 0.000 0.500 297 R N 1.043 121.351 120.500 -0.320 0.000 2.518 297 R HA 0.238 4.578 4.340 0.000 0.000 0.287 297 R C -1.615 174.371 176.300 -0.523 0.000 1.135 297 R CA -0.320 55.508 56.100 -0.455 0.000 0.967 297 R CB 1.003 30.981 30.300 -0.538 0.000 1.212 297 R HN -0.286 nan 8.270 nan 0.000 0.422 298 K N 4.311 124.453 120.400 -0.431 0.000 2.274 298 K HA 0.356 4.676 4.320 0.000 0.000 0.262 298 K C -0.344 176.079 176.600 -0.296 0.000 0.961 298 K CA -0.528 55.569 56.287 -0.317 0.000 0.833 298 K CB 1.136 33.559 32.500 -0.128 0.000 1.102 298 K HN 0.399 nan 8.250 nan 0.000 0.436 299 F N 1.128 121.106 119.950 0.047 0.000 2.727 299 F HA 0.204 4.731 4.527 0.001 0.000 0.302 299 F C 1.133 177.017 175.800 0.140 0.000 1.097 299 F CA -0.018 58.038 58.000 0.093 0.000 1.330 299 F CB 0.403 39.365 39.000 -0.063 0.000 1.084 299 F HN 0.838 nan 8.300 nan 0.000 0.578 300 G N 0.966 109.899 108.800 0.221 0.000 2.675 300 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 300 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 300 G C 0.583 175.597 174.900 0.190 0.000 1.215 300 G CA -0.441 44.779 45.100 0.200 0.000 0.777 300 G HN 0.387 nan 8.290 nan 0.000 0.638 301 I N -1.032 119.631 120.570 0.156 0.000 2.454 301 I HA 0.226 4.396 4.170 0.000 0.000 0.254 301 I C 2.537 178.770 176.117 0.192 0.000 1.156 301 I CA 2.398 63.786 61.300 0.146 0.000 1.433 301 I CB -0.313 37.751 38.000 0.106 0.000 1.082 301 I HN 1.179 nan 8.210 nan 0.000 0.432 302 A N 1.015 123.985 122.820 0.251 0.000 2.172 302 A HA 0.279 4.600 4.320 0.000 0.000 0.216 302 A C 2.414 180.304 177.584 0.510 0.000 1.154 302 A CA 1.197 53.452 52.037 0.363 0.000 0.701 302 A CB -0.828 18.433 19.000 0.435 0.000 0.789 302 A HN 0.611 nan 8.150 nan 0.000 0.465 303 A N -0.844 122.149 122.820 0.288 0.000 2.169 303 A HA 0.229 4.549 4.320 0.000 0.000 0.212 303 A C 1.205 179.008 177.584 0.365 0.000 1.153 303 A CA 0.702 52.742 52.037 0.005 0.000 0.756 303 A CB -0.642 18.056 19.000 -0.502 0.000 0.813 303 A HN 0.309 nan 8.150 nan 0.000 0.471 304 T N 0.478 115.226 114.554 0.322 0.000 2.934 304 T HA 0.074 4.424 4.350 0.000 0.000 0.306 304 T C -0.025 174.868 174.700 0.320 0.000 1.042 304 T CA 0.138 62.413 62.100 0.293 0.000 1.145 304 T CB -0.130 68.833 68.868 0.159 0.000 0.982 304 T HN 0.299 nan 8.240 nan 0.000 0.544 305 Y N 6.643 126.944 120.300 0.002 0.000 2.846 305 Y HA 0.085 4.635 4.550 0.001 0.000 0.352 305 Y C -1.654 174.186 175.900 -0.100 0.000 1.298 305 Y CA -2.023 55.895 58.100 -0.304 0.000 1.634 305 Y CB 0.280 38.295 38.460 -0.742 0.000 1.214 305 Y HN 0.367 nan 8.280 nan 0.000 0.529 306 P HA 0.084 nan 4.420 nan 0.000 0.232 306 P C 0.809 177.806 177.300 -0.503 0.000 1.814 306 P CA 0.195 63.067 63.100 -0.380 0.000 1.085 306 P CB 0.146 31.652 31.700 -0.322 0.000 1.901 307 I N 1.352 121.715 120.570 -0.345 0.000 2.394 307 I HA -0.267 3.903 4.170 0.000 0.000 0.251 307 I C 2.073 178.091 176.117 -0.165 0.000 1.136 307 I CA 1.548 62.724 61.300 -0.206 0.000 1.425 307 I CB 0.189 38.189 38.000 -0.001 0.000 1.079 307 I HN 0.097 nan 8.210 nan 0.000 0.425 308 Q N 1.095 120.805 119.800 -0.151 0.000 2.137 308 Q HA -0.178 4.162 4.340 0.000 0.000 0.198 308 Q C 1.913 177.847 176.000 -0.111 0.000 0.960 308 Q CA 1.679 57.412 55.803 -0.118 0.000 0.847 308 Q CB -0.116 28.564 28.738 -0.097 0.000 0.915 308 Q HN 0.544 nan 8.270 nan 0.000 0.448 309 E N -0.332 119.779 120.200 -0.149 0.000 2.077 309 E HA -0.187 4.163 4.350 0.000 0.000 0.193 309 E C 1.834 178.363 176.600 -0.118 0.000 0.989 309 E CA 1.008 57.320 56.400 -0.147 0.000 0.800 309 E CB -0.204 29.365 29.700 -0.218 0.000 0.746 309 E HN 0.450 nan 8.360 nan 0.000 0.452 310 A N 0.869 123.592 122.820 -0.161 0.000 1.940 310 A HA -0.216 4.105 4.320 0.000 0.000 0.219 310 A C 2.371 180.019 177.584 0.106 0.000 1.176 310 A CA 2.030 54.048 52.037 -0.031 0.000 0.631 310 A CB -0.908 18.032 19.000 -0.100 0.000 0.814 310 A HN 0.195 nan 8.150 nan 0.000 0.446 311 T N -0.401 114.162 114.554 0.014 0.000 2.708 311 T HA -0.117 4.233 4.350 0.000 0.000 0.266 311 T C 2.037 176.851 174.700 0.190 0.000 1.037 311 T CA 1.929 64.073 62.100 0.073 0.000 1.146 311 T CB -0.571 68.254 68.868 -0.072 0.000 0.865 311 T HN 0.556 nan 8.240 nan 0.000 0.435 312 T N 2.134 116.739 114.554 0.084 0.000 2.684 312 T HA -0.049 4.302 4.350 0.000 0.000 0.267 312 T C 1.959 176.704 174.700 0.074 0.000 1.036 312 T CA 1.246 63.391 62.100 0.075 0.000 1.148 312 T CB -0.337 68.541 68.868 0.016 0.000 0.863 312 T HN 0.295 nan 8.240 nan 0.000 0.436 313 M N 0.130 119.760 119.600 0.050 0.000 2.132 313 M HA -0.137 4.343 4.480 0.000 0.000 0.263 313 M C 2.280 178.560 176.300 -0.033 0.000 1.065 313 M CA 1.669 56.968 55.300 -0.002 0.000 1.122 313 M CB -0.254 32.314 32.600 -0.053 0.000 1.365 313 M HN 0.358 nan 8.290 nan 0.000 0.411 314 H N -0.308 118.698 119.070 -0.105 0.000 2.352 314 H HA -0.204 4.352 4.556 0.001 0.000 0.299 314 H C 2.095 177.224 175.328 -0.331 0.000 1.097 314 H CA 1.916 57.793 56.048 -0.285 0.000 1.311 314 H CB -0.169 29.520 29.762 -0.120 0.000 1.377 314 H HN 0.424 nan 8.280 nan 0.000 0.504 315 K N 0.791 121.213 120.400 0.037 0.000 2.057 315 K HA -0.100 4.220 4.320 0.000 0.000 0.207 315 K C 2.417 179.041 176.600 0.040 0.000 1.049 315 K CA 1.047 57.338 56.287 0.006 0.000 0.931 315 K CB -0.013 32.599 32.500 0.186 0.000 0.714 315 K HN 0.167 nan 8.250 nan 0.000 0.440 316 A N 0.609 123.454 122.820 0.042 0.000 1.902 316 A HA -0.167 4.153 4.320 0.000 0.000 0.217 316 A C 2.006 179.603 177.584 0.022 0.000 1.181 316 A CA 1.369 53.429 52.037 0.038 0.000 0.623 316 A CB -0.830 18.189 19.000 0.032 0.000 0.818 316 A HN 0.501 nan 8.150 nan 0.000 0.443 317 F N -0.187 119.648 119.950 -0.191 0.000 2.095 317 F HA -0.159 4.369 4.527 0.001 0.000 0.298 317 F C 1.858 177.586 175.800 -0.120 0.000 1.104 317 F CA 1.709 59.580 58.000 -0.215 0.000 1.232 317 F CB -0.405 38.339 39.000 -0.427 0.000 0.987 317 F HN 0.214 nan 8.300 nan 0.000 0.475 318 F N 0.824 120.768 119.950 -0.010 0.000 2.234 318 F HA -0.129 4.399 4.527 0.000 0.000 0.299 318 F C 2.318 178.129 175.800 0.018 0.000 1.087 318 F CA 1.178 59.126 58.000 -0.087 0.000 1.340 318 F CB -1.271 37.568 39.000 -0.268 0.000 1.031 318 F HN -0.010 nan 8.300 nan 0.000 0.500 319 D N -0.115 120.403 120.400 0.197 0.000 2.117 319 D HA -0.174 4.466 4.640 0.000 0.000 0.197 319 D C 2.348 178.637 176.300 -0.019 0.000 0.987 319 D CA 1.097 55.180 54.000 0.139 0.000 0.829 319 D CB -0.311 40.551 40.800 0.104 0.000 0.961 319 D HN 0.180 nan 8.370 nan 0.000 0.460 320 R N -0.078 120.326 120.500 -0.159 0.000 2.066 320 R HA -0.102 4.238 4.340 0.000 0.000 0.232 320 R C 1.949 177.988 176.300 -0.436 0.000 1.131 320 R CA 1.417 57.302 56.100 -0.359 0.000 0.955 320 R CB -0.162 29.794 30.300 -0.573 0.000 0.851 320 R HN 0.269 nan 8.270 nan 0.000 0.432 321 H N -1.258 117.714 119.070 -0.163 0.000 2.547 321 H HA 0.140 4.696 4.556 0.001 0.000 0.272 321 H C 1.133 176.431 175.328 -0.050 0.000 0.971 321 H CA 0.740 56.696 56.048 -0.154 0.000 1.245 321 H CB 0.665 30.231 29.762 -0.326 0.000 1.440 321 H HN 0.187 nan 8.280 nan 0.000 0.540 322 L N -0.471 120.814 121.223 0.104 0.000 2.575 322 L HA 0.172 4.513 4.340 0.000 0.000 0.228 322 L C 1.890 178.786 176.870 0.043 0.000 1.075 322 L CA 0.724 55.625 54.840 0.101 0.000 0.867 322 L CB 0.385 42.555 42.059 0.185 0.000 1.097 322 L HN -0.052 nan 8.230 nan 0.000 0.485 323 R N -0.788 119.729 120.500 0.029 0.000 2.437 323 R HA 0.368 4.708 4.340 0.000 0.000 0.257 323 R C 0.971 177.255 176.300 -0.027 0.000 0.927 323 R CA 0.589 56.677 56.100 -0.019 0.000 1.078 323 R CB 0.586 30.867 30.300 -0.031 0.000 1.161 323 R HN 0.223 nan 8.270 nan 0.000 0.529 324 G N 2.265 111.045 108.800 -0.035 0.000 2.160 324 G HA2 -0.297 3.663 3.960 0.000 0.000 0.251 324 G HA3 -0.297 3.663 3.960 0.000 0.000 0.251 324 G C -0.341 174.527 174.900 -0.054 0.000 1.008 324 G CA 0.018 45.091 45.100 -0.045 0.000 0.724 324 G HN 0.402 nan 8.290 nan 0.000 0.514 325 E N 1.115 121.277 120.200 -0.063 0.000 1.932 325 E HA 0.281 4.631 4.350 0.000 0.000 0.275 325 E C 1.855 178.409 176.600 -0.076 0.000 1.159 325 E CA 0.273 56.641 56.400 -0.053 0.000 0.905 325 E CB 0.301 29.981 29.700 -0.033 0.000 1.059 325 E HN 0.511 nan 8.360 nan 0.000 0.400 326 T N -0.234 114.284 114.554 -0.060 0.000 2.759 326 T HA -0.186 4.165 4.350 0.000 0.000 0.269 326 T C 0.847 175.515 174.700 -0.053 0.000 1.042 326 T CA 1.186 63.249 62.100 -0.061 0.000 1.140 326 T CB -0.014 68.833 68.868 -0.034 0.000 0.864 326 T HN 0.185 nan 8.240 nan 0.000 0.455 327 D N 0.954 121.332 120.400 -0.037 0.000 2.368 327 D HA 0.537 5.178 4.640 0.000 0.000 0.218 327 D C 1.880 178.166 176.300 -0.023 0.000 1.112 327 D CA 0.393 54.379 54.000 -0.023 0.000 0.834 327 D CB -0.131 40.662 40.800 -0.011 0.000 0.953 327 D HN 0.521 nan 8.370 nan 0.000 0.505 328 A N 0.187 122.984 122.820 -0.038 0.000 2.024 328 A HA -0.098 4.223 4.320 0.000 0.000 0.220 328 A C 1.660 179.235 177.584 -0.014 0.000 1.164 328 A CA 0.870 52.892 52.037 -0.025 0.000 0.643 328 A CB -0.383 18.594 19.000 -0.039 0.000 0.806 328 A HN 0.306 nan 8.150 nan 0.000 0.451 329 L N 0.052 121.264 121.223 -0.018 0.000 2.728 329 L HA 0.277 4.617 4.340 0.000 0.000 0.235 329 L C 0.951 177.831 176.870 0.017 0.000 1.197 329 L CA -0.454 54.394 54.840 0.013 0.000 0.992 329 L CB -0.192 41.891 42.059 0.040 0.000 1.263 329 L HN 0.348 nan 8.230 nan 0.000 0.484 330 A N -0.041 122.784 122.820 0.008 0.000 2.546 330 A HA 0.378 4.698 4.320 0.000 0.000 0.243 330 A C 1.518 179.111 177.584 0.014 0.000 1.063 330 A CA 0.791 52.835 52.037 0.012 0.000 0.757 330 A CB -0.160 18.844 19.000 0.007 0.000 0.991 330 A HN 0.670 nan 8.150 nan 0.000 0.503 331 G N 1.041 109.852 108.800 0.018 0.000 2.212 331 G HA2 -0.200 3.760 3.960 0.000 0.000 0.266 331 G HA3 -0.200 3.760 3.960 0.000 0.000 0.266 331 G C 0.248 175.158 174.900 0.017 0.000 0.978 331 G CA 0.287 45.397 45.100 0.017 0.000 0.632 331 G HN 1.555 nan 8.290 nan 0.000 0.537 332 V N 3.251 123.177 119.914 0.021 0.000 2.461 332 V HA 0.505 4.625 4.120 0.000 0.000 0.275 332 V C -0.654 175.461 176.094 0.036 0.000 1.047 332 V CA -1.215 61.097 62.300 0.020 0.000 0.955 332 V CB 1.217 33.052 31.823 0.020 0.000 0.988 332 V HN 0.325 nan 8.190 nan 0.000 0.471 333 P HA 0.280 nan 4.420 nan 0.000 0.274 333 P C 0.393 177.732 177.300 0.066 0.000 1.246 333 P CA -0.548 62.583 63.100 0.051 0.000 0.795 333 P CB 1.315 33.043 31.700 0.047 0.000 1.006 334 K N -0.188 120.271 120.400 0.099 0.000 2.097 334 K HA 0.062 4.382 4.320 0.000 0.000 0.205 334 K C 0.447 177.105 176.600 0.097 0.000 1.050 334 K CA 1.056 57.431 56.287 0.145 0.000 0.938 334 K CB -0.107 32.521 32.500 0.213 0.000 0.718 334 K HN 0.299 nan 8.250 nan 0.000 0.442 335 V N 0.787 120.736 119.914 0.060 0.000 2.709 335 V HA 0.340 4.460 4.120 0.000 0.000 0.308 335 V C -0.930 175.184 176.094 0.033 0.000 1.062 335 V CA -1.042 61.251 62.300 -0.012 0.000 0.901 335 V CB 2.206 34.039 31.823 0.018 0.000 1.003 335 V HN 0.080 nan 8.190 nan 0.000 0.425 336 R N 4.092 124.608 120.500 0.027 0.000 2.473 336 R HA 0.739 5.079 4.340 0.000 0.000 0.303 336 R C -1.888 174.549 176.300 0.229 0.000 1.002 336 R CA -0.306 55.872 56.100 0.130 0.000 0.884 336 R CB 1.095 31.444 30.300 0.082 0.000 1.173 336 R HN 0.737 nan 8.270 nan 0.000 0.464 337 L N 4.390 125.770 121.223 0.262 0.000 2.346 337 L HA 0.536 4.876 4.340 0.000 0.000 0.274 337 L C -0.600 176.319 176.870 0.082 0.000 1.007 337 L CA -1.067 53.889 54.840 0.192 0.000 0.818 337 L CB 1.716 43.909 42.059 0.223 0.000 1.284 337 L HN 0.549 nan 8.230 nan 0.000 0.424 338 F N 3.164 122.837 119.950 -0.463 0.000 2.404 338 F HA 0.332 4.859 4.527 0.000 0.000 0.359 338 F C -0.023 175.597 175.800 -0.301 0.000 1.134 338 F CA -0.459 57.015 58.000 -0.876 0.000 1.160 338 F CB 0.823 38.889 39.000 -1.557 0.000 1.186 338 F HN 0.049 nan 8.300 nan 0.000 0.526 339 V N 8.254 127.765 119.914 -0.672 0.000 2.389 339 V HA 0.118 4.238 4.120 0.000 0.000 0.264 339 V C 0.600 176.344 176.094 -0.584 0.000 1.049 339 V CA -0.382 61.641 62.300 -0.462 0.000 0.932 339 V CB 0.401 32.028 31.823 -0.326 0.000 1.011 339 V HN 0.751 nan 8.190 nan 0.000 0.475 340 M N 3.469 122.845 119.600 -0.374 0.000 2.198 340 M HA 0.484 4.964 4.480 0.000 0.000 0.315 340 M C 1.533 177.716 176.300 -0.195 0.000 1.134 340 M CA 1.202 56.400 55.300 -0.170 0.000 1.171 340 M CB 0.645 33.202 32.600 -0.073 0.000 1.413 340 M HN 0.869 nan 8.290 nan 0.000 0.467 341 G N 1.229 109.993 108.800 -0.060 0.000 4.365 341 G HA2 -0.308 3.652 3.960 0.000 0.000 0.214 341 G HA3 -0.308 3.652 3.960 0.000 0.000 0.214 341 G C 0.640 175.450 174.900 -0.149 0.000 1.450 341 G CA 0.472 45.465 45.100 -0.178 0.000 0.937 341 G HN 0.849 nan 8.290 nan 0.000 0.625 342 I N -1.476 118.981 120.570 -0.188 0.000 2.676 342 I HA 0.267 4.437 4.170 0.000 0.000 0.259 342 I C 0.501 176.526 176.117 -0.152 0.000 1.194 342 I CA 1.199 62.406 61.300 -0.155 0.000 1.473 342 I CB -0.388 37.511 38.000 -0.167 0.000 1.096 342 I HN 0.174 nan 8.210 nan 0.000 0.443 343 D N 2.725 122.984 120.400 -0.235 0.000 2.737 343 D HA -0.160 4.481 4.640 0.000 0.000 0.238 343 D C -0.393 175.594 176.300 -0.521 0.000 1.157 343 D CA 0.984 54.816 54.000 -0.280 0.000 0.694 343 D CB -0.954 39.978 40.800 0.220 0.000 1.021 343 D HN 0.726 nan 8.370 nan 0.000 0.420 344 E N -0.928 118.732 120.200 -0.901 0.000 2.314 344 E HA 0.418 4.768 4.350 0.000 0.000 0.272 344 E C -0.316 175.862 176.600 -0.703 0.000 0.884 344 E CA -0.905 55.163 56.400 -0.553 0.000 0.753 344 E CB 1.066 30.635 29.700 -0.218 0.000 1.213 344 E HN 0.067 nan 8.360 nan 0.000 0.432 345 W N 1.863 123.035 121.300 -0.214 0.000 2.190 345 W HA 0.281 4.941 4.660 0.001 0.000 0.330 345 W C 0.582 177.060 176.519 -0.069 0.000 1.299 345 W CA 0.074 57.381 57.345 -0.063 0.000 1.215 345 W CB 0.627 30.131 29.460 0.074 0.000 1.147 345 W HN 0.160 nan 8.180 nan 0.000 0.563 346 R N 1.967 122.591 120.500 0.207 0.000 2.604 346 R HA 0.172 4.513 4.340 0.000 0.000 0.281 346 R C -1.294 175.090 176.300 0.139 0.000 1.020 346 R CA -0.823 55.347 56.100 0.118 0.000 0.899 346 R CB 1.222 31.541 30.300 0.032 0.000 1.205 346 R HN 0.333 nan 8.270 nan 0.000 0.450 347 D N 2.390 122.852 120.400 0.103 0.000 2.341 347 D HA 0.204 4.844 4.640 0.000 0.000 0.245 347 D C -0.211 176.140 176.300 0.084 0.000 1.106 347 D CA 0.395 54.449 54.000 0.089 0.000 0.905 347 D CB 1.066 41.905 40.800 0.065 0.000 1.202 347 D HN 0.294 nan 8.370 nan 0.000 0.426 348 E N -0.504 119.752 120.200 0.093 0.000 2.416 348 E HA 0.244 4.594 4.350 0.000 0.000 0.273 348 E C 0.357 177.021 176.600 0.107 0.000 0.935 348 E CA -0.468 55.992 56.400 0.100 0.000 0.784 348 E CB 1.655 31.435 29.700 0.133 0.000 1.301 348 E HN 0.411 nan 8.360 nan 0.000 0.454 349 T N -3.015 111.605 114.554 0.109 0.000 3.060 349 T HA 0.181 4.531 4.350 0.000 0.000 0.249 349 T C 0.177 174.980 174.700 0.171 0.000 1.079 349 T CA 0.234 62.406 62.100 0.121 0.000 1.013 349 T CB 0.306 69.230 68.868 0.093 0.000 0.975 349 T HN 0.249 nan 8.240 nan 0.000 0.518 350 D N -1.109 119.408 120.400 0.196 0.000 2.653 350 D HA 0.307 4.947 4.640 0.000 0.000 0.258 350 D C -2.261 174.237 176.300 0.329 0.000 1.252 350 D CA -0.679 53.491 54.000 0.284 0.000 0.777 350 D CB 1.491 42.415 40.800 0.207 0.000 1.339 350 D HN 0.165 nan 8.370 nan 0.000 0.422 351 W N 3.252 124.707 121.300 0.257 0.000 2.715 351 W HA 0.450 5.110 4.660 0.000 0.000 0.331 351 W C -2.839 173.854 176.519 0.291 0.000 1.031 351 W CA -1.825 55.636 57.345 0.194 0.000 1.237 351 W CB 1.628 31.094 29.460 0.011 0.000 1.378 351 W HN 0.195 nan 8.180 nan 0.000 0.454 352 P HA -0.064 nan 4.420 nan 0.000 0.269 352 P C -0.177 176.968 177.300 -0.259 0.000 1.211 352 P CA 0.070 62.754 63.100 -0.693 0.000 0.781 352 P CB 0.643 32.118 31.700 -0.375 0.000 0.877 353 L N 4.353 125.406 121.223 -0.283 0.000 2.456 353 L HA 0.196 4.536 4.340 0.000 0.000 0.272 353 L C -1.848 174.980 176.870 -0.070 0.000 1.189 353 L CA -0.855 53.931 54.840 -0.090 0.000 0.846 353 L CB -1.014 40.994 42.059 -0.085 0.000 1.111 353 L HN 0.339 nan 8.230 nan 0.000 0.475 354 P HA 0.122 nan 4.420 nan 0.000 0.269 354 P C -0.437 176.843 177.300 -0.033 0.000 1.215 354 P CA 0.016 63.112 63.100 -0.005 0.000 0.780 354 P CB 0.373 32.085 31.700 0.019 0.000 0.898 355 D N -1.822 118.560 120.400 -0.029 0.000 3.041 355 D HA -0.121 4.520 4.640 0.000 0.000 0.220 355 D C -0.540 175.701 176.300 -0.098 0.000 1.157 355 D CA 1.134 55.107 54.000 -0.044 0.000 0.876 355 D CB -2.503 38.278 40.800 -0.031 0.000 1.107 355 D HN 0.318 nan 8.370 nan 0.000 0.422 356 T N 0.531 114.987 114.554 -0.164 0.000 2.853 356 T HA 0.443 4.793 4.350 0.000 0.000 0.298 356 T C 0.669 175.162 174.700 -0.345 0.000 0.978 356 T CA 0.425 62.327 62.100 -0.331 0.000 1.152 356 T CB 1.189 69.714 68.868 -0.573 0.000 0.914 356 T HN 0.306 nan 8.240 nan 0.000 0.539 357 A N 4.264 126.910 122.820 -0.289 0.000 2.341 357 A HA 0.477 4.798 4.320 0.000 0.000 0.326 357 A C -0.622 176.855 177.584 -0.179 0.000 1.402 357 A CA -0.629 51.316 52.037 -0.153 0.000 0.957 357 A CB -0.182 18.779 19.000 -0.064 0.000 1.151 357 A HN 0.840 nan 8.150 nan 0.000 0.533 358 Y N 2.110 122.406 120.300 -0.006 0.000 2.624 358 Y HA 0.227 4.778 4.550 0.000 0.000 0.354 358 Y C 0.768 176.679 175.900 0.019 0.000 1.051 358 Y CA 0.694 58.797 58.100 0.004 0.000 1.377 358 Y CB 0.420 38.878 38.460 -0.004 0.000 1.168 358 Y HN 0.536 nan 8.280 nan 0.000 0.525 359 T N 6.606 121.248 114.554 0.147 0.000 2.770 359 T HA 0.311 4.661 4.350 0.000 0.000 0.283 359 T C -2.644 172.132 174.700 0.126 0.000 0.988 359 T CA -1.955 60.209 62.100 0.106 0.000 0.957 359 T CB 1.232 70.184 68.868 0.140 0.000 0.930 359 T HN 0.181 nan 8.240 nan 0.000 0.443 360 P HA 0.309 nan 4.420 nan 0.000 0.271 360 P C -0.949 176.134 177.300 -0.361 0.000 1.220 360 P CA -0.378 62.561 63.100 -0.268 0.000 0.768 360 P CB 0.203 31.403 31.700 -0.834 0.000 0.848 361 F N 2.823 122.573 119.950 -0.333 0.000 2.382 361 F HA 0.343 4.870 4.527 0.000 0.000 0.361 361 F C 0.128 175.791 175.800 -0.230 0.000 1.109 361 F CA -0.480 57.383 58.000 -0.228 0.000 1.031 361 F CB 0.447 39.380 39.000 -0.113 0.000 1.234 361 F HN 0.246 nan 8.300 nan 0.000 0.445 362 Y N 3.096 123.470 120.300 0.123 0.000 2.309 362 Y HA 0.354 4.905 4.550 0.000 0.000 0.327 362 Y C 0.039 175.975 175.900 0.060 0.000 1.172 362 Y CA -0.748 57.413 58.100 0.101 0.000 1.280 362 Y CB 0.494 38.971 38.460 0.030 0.000 1.234 362 Y HN 0.258 nan 8.280 nan 0.000 0.512 363 L N 2.889 124.194 121.223 0.138 0.000 2.410 363 L HA 0.470 4.810 4.340 0.000 0.000 0.273 363 L C 0.741 177.678 176.870 0.111 0.000 1.152 363 L CA 0.526 55.335 54.840 -0.052 0.000 0.855 363 L CB 0.011 41.837 42.059 -0.388 0.000 1.129 363 L HN 0.867 nan 8.230 nan 0.000 0.463 364 G N 0.457 109.378 108.800 0.202 0.000 2.782 364 G HA2 0.789 4.749 3.960 0.000 0.000 0.304 364 G HA3 0.789 4.749 3.960 0.000 0.000 0.304 364 G C -0.785 174.245 174.900 0.217 0.000 1.315 364 G CA -0.213 44.995 45.100 0.181 0.000 0.791 364 G HN 0.905 nan 8.290 nan 0.000 0.519 365 G N -1.464 107.417 108.800 0.134 0.000 2.348 365 G HA2 0.458 4.418 3.960 0.000 0.000 0.606 365 G HA3 0.458 4.418 3.960 0.000 0.000 0.606 365 G C -0.498 174.445 174.900 0.071 0.000 1.466 365 G CA 0.024 45.185 45.100 0.102 0.000 0.950 365 G HN 1.207 nan 8.290 nan 0.000 0.657 366 S N 0.534 116.262 115.700 0.046 0.000 2.565 366 S HA 0.702 5.172 4.470 0.000 0.000 0.276 366 S C 1.248 175.864 174.600 0.027 0.000 1.326 366 S CA 1.369 59.589 58.200 0.032 0.000 1.045 366 S CB 0.921 64.134 63.200 0.022 0.000 0.918 366 S HN 2.496 nan 8.310 nan 0.000 0.505 367 G N 1.859 110.674 108.800 0.025 0.000 2.641 367 G HA2 0.014 3.974 3.960 0.000 0.000 0.254 367 G HA3 0.014 3.974 3.960 0.000 0.000 0.254 367 G C -0.077 174.836 174.900 0.022 0.000 1.315 367 G CA -0.411 44.700 45.100 0.020 0.000 0.907 367 G HN 1.306 nan 8.290 nan 0.000 0.572 368 A N -0.596 122.231 122.820 0.011 0.000 2.327 368 A HA 0.840 5.160 4.320 0.000 0.000 0.283 368 A C 1.225 178.790 177.584 -0.031 0.000 1.127 368 A CA 0.812 52.855 52.037 0.010 0.000 0.810 368 A CB 1.268 20.278 19.000 0.017 0.000 1.066 368 A HN 2.429 nan 8.150 nan 0.000 0.492 369 A N 2.633 125.416 122.820 -0.062 0.000 2.275 369 A HA 0.181 4.501 4.320 0.000 0.000 0.212 369 A C 0.523 177.976 177.584 -0.218 0.000 1.201 369 A CA -0.210 51.689 52.037 -0.230 0.000 0.843 369 A CB -0.679 18.028 19.000 -0.488 0.000 0.873 369 A HN 0.837 nan 8.150 nan 0.000 0.492 370 N N 2.000 120.647 118.700 -0.090 0.000 2.412 370 N HA 0.343 5.083 4.740 0.000 0.000 0.254 370 N C 0.346 175.802 175.510 -0.090 0.000 1.232 370 N CA 1.450 54.461 53.050 -0.065 0.000 0.880 370 N CB 0.005 38.493 38.487 0.003 0.000 1.076 370 N HN 0.562 nan 8.380 nan 0.000 0.458 371 T N -1.694 112.800 114.554 -0.101 0.000 0.541 371 T HA -0.238 4.112 4.350 0.000 0.000 0.774 371 T C 0.861 175.463 174.700 -0.163 0.000 0.992 371 T CA 0.326 62.367 62.100 -0.099 0.000 4.077 371 T CB -1.232 67.606 68.868 -0.051 0.000 2.303 371 T HN 0.784 nan 8.240 nan 0.000 0.398 372 S N -0.558 115.020 115.700 -0.204 0.000 2.481 372 S HA 0.043 4.513 4.470 0.000 0.000 0.231 372 S C 1.856 176.360 174.600 -0.159 0.000 0.996 372 S CA 1.250 59.270 58.200 -0.300 0.000 0.942 372 S CB -0.723 62.154 63.200 -0.537 0.000 0.768 372 S HN 1.967 nan 8.310 nan 0.000 0.520 373 T N -1.520 112.976 114.554 -0.097 0.000 3.122 373 T HA 0.447 4.797 4.350 0.000 0.000 0.250 373 T C 1.008 175.673 174.700 -0.059 0.000 1.067 373 T CA 0.036 62.101 62.100 -0.058 0.000 0.966 373 T CB -0.126 68.725 68.868 -0.028 0.000 1.002 373 T HN 0.393 nan 8.240 nan 0.000 0.542 374 G N 0.428 109.176 108.800 -0.086 0.000 2.570 374 G HA2 0.456 4.416 3.960 0.000 0.000 0.276 374 G HA3 0.456 4.416 3.960 0.000 0.000 0.276 374 G C 0.857 175.711 174.900 -0.077 0.000 1.346 374 G CA -0.368 44.682 45.100 -0.083 0.000 1.034 374 G HN 0.371 nan 8.290 nan 0.000 0.512 375 G N -1.156 107.605 108.800 -0.065 0.000 3.337 375 G HA2 0.444 4.405 3.960 0.000 0.000 0.246 375 G HA3 0.444 4.405 3.960 0.000 0.000 0.246 375 G C 0.767 175.650 174.900 -0.029 0.000 1.131 375 G CA 0.468 45.548 45.100 -0.034 0.000 0.773 375 G HN 0.851 nan 8.290 nan 0.000 0.544 376 G N 0.732 109.465 108.800 -0.112 0.000 2.432 376 G HA2 0.426 4.386 3.960 0.000 0.000 0.239 376 G HA3 0.426 4.386 3.960 0.000 0.000 0.239 376 G C 0.292 175.239 174.900 0.079 0.000 1.291 376 G CA 0.662 45.721 45.100 -0.068 0.000 0.863 376 G HN 0.438 nan 8.290 nan 0.000 0.560 377 T N -0.621 114.072 114.554 0.231 0.000 2.924 377 T HA 0.716 5.066 4.350 0.000 0.000 0.291 377 T C -0.344 174.514 174.700 0.263 0.000 1.045 377 T CA -0.952 61.267 62.100 0.200 0.000 1.015 377 T CB 1.772 70.722 68.868 0.137 0.000 1.103 377 T HN 0.323 nan 8.240 nan 0.000 0.496 378 L N 1.388 122.735 121.223 0.206 0.000 2.365 378 L HA 0.781 5.121 4.340 0.000 0.000 0.273 378 L C -0.128 176.864 176.870 0.205 0.000 1.000 378 L CA -0.772 54.199 54.840 0.219 0.000 0.819 378 L CB 2.130 44.325 42.059 0.228 0.000 1.284 378 L HN 0.844 nan 8.230 nan 0.000 0.418 379 S N -0.895 114.914 115.700 0.181 0.000 2.533 379 S HA 0.270 4.741 4.470 0.000 0.000 0.271 379 S C 0.550 175.100 174.600 -0.083 0.000 1.143 379 S CA -0.271 57.967 58.200 0.063 0.000 0.891 379 S CB 1.716 64.961 63.200 0.076 0.000 1.105 379 S HN 0.766 nan 8.310 nan 0.000 0.468 380 T N 0.451 114.815 114.554 -0.316 0.000 3.113 380 T HA 0.122 4.473 4.350 0.000 0.000 0.263 380 T C 0.615 175.308 174.700 -0.011 0.000 1.143 380 T CA 0.305 62.176 62.100 -0.382 0.000 1.090 380 T CB -0.226 68.352 68.868 -0.484 0.000 0.922 380 T HN 0.336 nan 8.240 nan 0.000 0.521 381 S N 1.001 116.715 115.700 0.024 0.000 2.554 381 S HA 0.550 5.021 4.470 0.000 0.000 0.278 381 S C 0.246 174.777 174.600 -0.115 0.000 1.242 381 S CA -0.854 57.331 58.200 -0.026 0.000 1.051 381 S CB 0.937 64.103 63.200 -0.056 0.000 0.986 381 S HN 0.343 nan 8.310 nan 0.000 0.502 382 I N 2.398 122.699 120.570 -0.447 0.000 2.813 382 I HA -0.007 4.163 4.170 0.000 0.000 0.287 382 I C 0.726 176.665 176.117 -0.296 0.000 1.196 382 I CA 0.108 60.972 61.300 -0.726 0.000 1.421 382 I CB 0.547 38.108 38.000 -0.731 0.000 1.365 382 I HN 0.557 nan 8.210 nan 0.000 0.591 383 S N 3.787 119.365 115.700 -0.203 0.000 2.576 383 S HA 0.163 4.633 4.470 0.000 0.000 0.276 383 S C 1.081 175.625 174.600 -0.092 0.000 1.339 383 S CA -0.345 57.808 58.200 -0.078 0.000 1.039 383 S CB 1.422 64.619 63.200 -0.005 0.000 0.902 383 S HN 0.890 nan 8.310 nan 0.000 0.516 384 G N 1.138 109.904 108.800 -0.057 0.000 2.662 384 G HA2 0.151 4.111 3.960 0.000 0.000 0.212 384 G HA3 0.151 4.111 3.960 0.000 0.000 0.212 384 G C 0.136 175.011 174.900 -0.043 0.000 1.141 384 G CA 0.042 45.107 45.100 -0.058 0.000 0.797 384 G HN 0.616 nan 8.290 nan 0.000 0.531 385 T N 1.460 116.001 114.554 -0.022 0.000 2.823 385 T HA 0.422 4.772 4.350 0.000 0.000 0.279 385 T C -0.778 173.926 174.700 0.007 0.000 0.998 385 T CA -0.559 61.537 62.100 -0.006 0.000 0.994 385 T CB 2.485 71.357 68.868 0.007 0.000 0.960 385 T HN -0.075 nan 8.240 nan 0.000 0.448 386 E N 2.281 122.488 120.200 0.012 0.000 2.324 386 E HA 0.429 4.779 4.350 0.000 0.000 0.271 386 E C -0.292 176.345 176.600 0.062 0.000 1.028 386 E CA 0.134 56.563 56.400 0.048 0.000 0.890 386 E CB 0.906 30.642 29.700 0.059 0.000 1.004 386 E HN 0.731 nan 8.360 nan 0.000 0.431 387 S N 0.648 116.395 115.700 0.078 0.000 2.705 387 S HA 0.897 5.367 4.470 0.000 0.000 0.280 387 S C -1.104 173.523 174.600 0.046 0.000 1.174 387 S CA -0.882 57.355 58.200 0.062 0.000 0.823 387 S CB 1.930 65.166 63.200 0.059 0.000 1.162 387 S HN 0.547 nan 8.310 nan 0.000 0.487 388 A N 0.746 123.570 122.820 0.007 0.000 2.566 388 A HA 0.690 5.010 4.320 0.000 0.000 0.297 388 A C -2.217 175.354 177.584 -0.022 0.000 1.059 388 A CA -0.779 51.210 52.037 -0.081 0.000 0.691 388 A CB 1.155 20.004 19.000 -0.251 0.000 1.282 388 A HN 0.660 nan 8.150 nan 0.000 0.401 389 D N 1.661 122.068 120.400 0.011 0.000 2.217 389 D HA 0.620 5.260 4.640 0.000 0.000 0.243 389 D C -0.647 175.701 176.300 0.079 0.000 1.054 389 D CA 0.215 54.267 54.000 0.087 0.000 0.838 389 D CB 2.035 42.947 40.800 0.187 0.000 1.162 389 D HN 0.401 nan 8.370 nan 0.000 0.472 390 T N 1.574 116.181 114.554 0.090 0.000 2.876 390 T HA 0.585 4.935 4.350 0.000 0.000 0.289 390 T C -0.796 173.988 174.700 0.139 0.000 1.014 390 T CA -0.718 61.397 62.100 0.025 0.000 0.986 390 T CB 1.078 69.938 68.868 -0.014 0.000 1.021 390 T HN 0.374 nan 8.240 nan 0.000 0.458 391 Y N 0.429 120.778 120.300 0.081 0.000 2.638 391 Y HA 0.814 5.364 4.550 0.000 0.000 0.335 391 Y C -1.783 174.170 175.900 0.089 0.000 1.155 391 Y CA -1.822 56.325 58.100 0.079 0.000 1.046 391 Y CB 0.830 39.342 38.460 0.087 0.000 1.303 391 Y HN 0.507 nan 8.280 nan 0.000 0.460 392 L N 3.224 124.603 121.223 0.259 0.000 2.264 392 L HA 0.436 4.776 4.340 0.000 0.000 0.289 392 L C -1.235 175.832 176.870 0.328 0.000 1.044 392 L CA -0.698 54.249 54.840 0.180 0.000 0.807 392 L CB 0.521 42.640 42.059 0.100 0.000 1.192 392 L HN 0.694 nan 8.230 nan 0.000 0.425 393 Y N 4.815 125.203 120.300 0.145 0.000 2.335 393 Y HA 0.485 5.036 4.550 0.001 0.000 0.339 393 Y C -0.967 174.957 175.900 0.039 0.000 0.987 393 Y CA -1.095 57.081 58.100 0.126 0.000 1.140 393 Y CB 0.872 39.407 38.460 0.124 0.000 1.173 393 Y HN 0.688 nan 8.280 nan 0.000 0.486 394 D N 8.525 128.758 120.400 -0.277 0.000 2.440 394 D HA 0.359 4.999 4.640 0.000 0.000 0.239 394 D C -2.244 173.769 176.300 -0.479 0.000 1.084 394 D CA -2.651 51.112 54.000 -0.395 0.000 0.843 394 D CB 2.337 43.053 40.800 -0.140 0.000 1.097 394 D HN 0.324 nan 8.370 nan 0.000 0.531 395 P HA -0.125 nan 4.420 nan 0.000 0.218 395 P C 0.887 178.072 177.300 -0.192 0.000 1.146 395 P CA 1.208 64.096 63.100 -0.354 0.000 0.813 395 P CB 0.290 31.816 31.700 -0.291 0.000 0.778 396 A N -1.122 121.597 122.820 -0.168 0.000 2.121 396 A HA -0.110 4.210 4.320 0.000 0.000 0.218 396 A C 1.237 178.770 177.584 -0.085 0.000 1.154 396 A CA 1.274 53.240 52.037 -0.118 0.000 0.679 396 A CB -0.664 18.283 19.000 -0.088 0.000 0.795 396 A HN 0.087 nan 8.150 nan 0.000 0.458 397 D N -0.503 119.865 120.400 -0.054 0.000 2.613 397 D HA 0.271 4.911 4.640 0.000 0.000 0.312 397 D C -2.784 173.557 176.300 0.069 0.000 1.202 397 D CA -1.983 52.019 54.000 0.004 0.000 0.825 397 D CB 1.014 41.824 40.800 0.017 0.000 1.113 397 D HN 0.169 nan 8.370 nan 0.000 0.502 398 P HA 0.146 nan 4.420 nan 0.000 0.276 398 P C -0.079 177.302 177.300 0.135 0.000 1.261 398 P CA -0.558 62.636 63.100 0.156 0.000 0.800 398 P CB 1.191 32.942 31.700 0.084 0.000 1.066 399 V N 2.761 122.747 119.914 0.121 0.000 2.479 399 V HA 0.093 4.213 4.120 0.000 0.000 0.281 399 V C -1.860 174.318 176.094 0.140 0.000 1.031 399 V CA -1.044 61.316 62.300 0.099 0.000 1.038 399 V CB -0.142 31.713 31.823 0.053 0.000 0.981 399 V HN 0.579 nan 8.190 nan 0.000 0.478 400 P HA 0.182 nan 4.420 nan 0.000 0.271 400 P C -0.284 177.084 177.300 0.113 0.000 1.218 400 P CA -0.141 63.048 63.100 0.149 0.000 0.780 400 P CB 0.469 32.247 31.700 0.130 0.000 0.901 401 S N 2.094 117.853 115.700 0.098 0.000 2.549 401 S HA 0.291 4.762 4.470 0.000 0.000 0.283 401 S C 0.066 174.717 174.600 0.085 0.000 1.320 401 S CA -0.093 58.152 58.200 0.074 0.000 1.058 401 S CB -0.352 62.866 63.200 0.030 0.000 0.882 401 S HN 0.299 nan 8.310 nan 0.000 0.498 402 L N 2.888 124.144 121.223 0.054 0.000 2.518 402 L HA 0.508 4.848 4.340 0.000 0.000 0.262 402 L C 0.726 177.604 176.870 0.013 0.000 0.982 402 L CA -0.366 54.488 54.840 0.024 0.000 0.873 402 L CB 0.935 43.001 42.059 0.011 0.000 1.198 402 L HN 1.004 nan 8.230 nan 0.000 0.427 403 G N 2.429 111.223 108.800 -0.009 0.000 2.528 403 G HA2 0.090 4.050 3.960 0.000 0.000 0.262 403 G HA3 0.090 4.050 3.960 0.000 0.000 0.262 403 G C 0.481 175.411 174.900 0.051 0.000 1.200 403 G CA -0.110 44.979 45.100 -0.018 0.000 0.951 403 G HN 1.510 nan 8.290 nan 0.000 0.566 404 G N -2.540 106.344 108.800 0.141 0.000 2.528 404 G HA2 0.193 4.153 3.960 0.000 0.000 0.262 404 G HA3 0.193 4.153 3.960 0.000 0.000 0.262 404 G C 1.111 176.155 174.900 0.241 0.000 1.200 404 G CA 2.235 47.482 45.100 0.245 0.000 0.951 404 G HN 2.687 nan 8.290 nan 0.000 0.566 405 T N -0.647 113.976 114.554 0.116 0.000 3.264 405 T HA 0.614 4.965 4.350 0.000 0.000 0.257 405 T C 1.014 175.684 174.700 -0.049 0.000 0.976 405 T CA 0.135 62.272 62.100 0.061 0.000 0.908 405 T CB -0.248 68.628 68.868 0.014 0.000 1.082 405 T HN 0.653 nan 8.240 nan 0.000 0.567 406 L N 1.232 122.429 121.223 -0.043 0.000 2.543 406 L HA 0.136 4.476 4.340 0.000 0.000 0.285 406 L C 1.367 178.167 176.870 -0.116 0.000 1.236 406 L CA -0.020 54.772 54.840 -0.081 0.000 0.871 406 L CB 0.514 42.559 42.059 -0.023 0.000 1.121 406 L HN 0.312 nan 8.230 nan 0.000 0.501 407 L N 1.954 123.047 121.223 -0.217 0.000 2.349 407 L HA 0.063 4.404 4.340 0.000 0.000 0.200 407 L C 1.221 177.745 176.870 -0.577 0.000 1.064 407 L CA 0.723 55.269 54.840 -0.490 0.000 0.821 407 L CB 0.066 41.636 42.059 -0.816 0.000 1.027 407 L HN 0.533 nan 8.230 nan 0.000 0.476 408 F N -3.055 116.953 119.950 0.098 0.000 2.667 408 F HA 0.162 4.690 4.527 0.000 0.000 0.288 408 F C 1.297 177.155 175.800 0.097 0.000 1.086 408 F CA -0.463 57.609 58.000 0.121 0.000 1.297 408 F CB 0.019 39.101 39.000 0.137 0.000 1.059 408 F HN -0.062 nan 8.300 nan 0.000 0.624 409 H N 2.757 121.908 119.070 0.136 0.000 2.934 409 H HA 0.079 4.635 4.556 0.000 0.000 0.273 409 H C -0.151 175.184 175.328 0.012 0.000 1.121 409 H CA 0.044 56.120 56.048 0.046 0.000 1.451 409 H CB -0.107 29.637 29.762 -0.029 0.000 1.469 409 H HN 0.161 nan 8.280 nan 0.000 0.476 410 N N 3.505 122.013 118.700 -0.320 0.000 2.699 410 N HA -0.151 4.589 4.740 0.000 0.000 0.256 410 N C 0.959 176.395 175.510 -0.124 0.000 0.993 410 N CA 0.985 53.874 53.050 -0.267 0.000 0.759 410 N CB -1.205 37.030 38.487 -0.420 0.000 0.906 410 N HN 0.873 nan 8.380 nan 0.000 0.541 411 G N -0.179 108.588 108.800 -0.054 0.000 3.181 411 G HA2 -0.030 3.930 3.960 0.000 0.000 0.219 411 G HA3 -0.030 3.930 3.960 0.000 0.000 0.219 411 G C 0.598 175.494 174.900 -0.007 0.000 1.182 411 G CA 0.268 45.353 45.100 -0.025 0.000 0.791 411 G HN 0.443 nan 8.290 nan 0.000 0.537 412 D N -1.011 119.373 120.400 -0.027 0.000 2.501 412 D HA 0.094 4.734 4.640 0.000 0.000 0.226 412 D C 0.375 176.650 176.300 -0.043 0.000 1.198 412 D CA -0.695 53.294 54.000 -0.019 0.000 0.830 412 D CB 0.107 40.895 40.800 -0.021 0.000 1.014 412 D HN 0.087 nan 8.370 nan 0.000 0.496 413 N N -0.014 118.643 118.700 -0.071 0.000 2.636 413 N HA 0.220 4.960 4.740 0.000 0.000 0.287 413 N C 1.364 176.763 175.510 -0.186 0.000 1.817 413 N CA 0.068 53.048 53.050 -0.118 0.000 0.842 413 N CB 0.610 39.032 38.487 -0.108 0.000 1.353 413 N HN 0.042 nan 8.380 nan 0.000 0.500 414 G N 1.294 109.935 108.800 -0.265 0.000 2.553 414 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 414 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 414 G C -1.325 173.114 174.900 -0.767 0.000 1.195 414 G CA 0.643 45.424 45.100 -0.533 0.000 0.779 414 G HN 0.423 nan 8.290 nan 0.000 0.577 415 P HA 0.413 nan 4.420 nan 0.000 0.220 415 P C -0.269 176.902 177.300 -0.215 0.000 1.806 415 P CA -0.161 62.703 63.100 -0.394 0.000 0.976 415 P CB 0.092 31.662 31.700 -0.216 0.000 1.952 416 A N 1.590 124.314 122.820 -0.159 0.000 2.388 416 A HA 0.206 4.526 4.320 0.000 0.000 0.257 416 A C 0.314 177.838 177.584 -0.099 0.000 1.095 416 A CA -0.291 51.672 52.037 -0.122 0.000 0.791 416 A CB -0.018 18.930 19.000 -0.086 0.000 1.029 416 A HN 0.213 nan 8.150 nan 0.000 0.489 417 D N 1.127 121.451 120.400 -0.127 0.000 2.417 417 D HA 0.095 4.735 4.640 0.000 0.000 0.250 417 D C 0.733 176.951 176.300 -0.136 0.000 1.166 417 D CA 0.208 54.128 54.000 -0.134 0.000 0.881 417 D CB 0.793 41.502 40.800 -0.152 0.000 1.164 417 D HN 0.398 nan 8.370 nan 0.000 0.467 418 Q N 3.299 122.998 119.800 -0.167 0.000 2.392 418 Q HA 0.071 4.412 4.340 0.000 0.000 0.203 418 Q C 1.619 177.292 176.000 -0.545 0.000 0.917 418 Q CA 0.174 55.837 55.803 -0.232 0.000 0.939 418 Q CB 0.120 28.792 28.738 -0.110 0.000 1.063 418 Q HN 0.553 nan 8.270 nan 0.000 0.516 419 R N 0.621 120.784 120.500 -0.560 0.000 2.139 419 R HA -0.142 4.198 4.340 0.000 0.000 0.243 419 R C -0.694 175.456 176.300 -0.251 0.000 1.145 419 R CA 1.169 56.940 56.100 -0.549 0.000 0.976 419 R CB -1.048 29.112 30.300 -0.233 0.000 0.866 419 R HN 0.221 nan 8.270 nan 0.000 0.449 420 P HA -0.127 nan 4.420 nan 0.000 0.225 420 P C 0.999 178.284 177.300 -0.026 0.000 1.148 420 P CA 1.174 64.235 63.100 -0.065 0.000 0.779 420 P CB -0.038 31.633 31.700 -0.049 0.000 0.780 421 I N -6.879 113.673 120.570 -0.030 0.000 4.082 421 I HA 0.180 4.350 4.170 0.000 0.000 0.337 421 I C 1.566 177.759 176.117 0.128 0.000 1.352 421 I CA -0.071 61.255 61.300 0.045 0.000 1.097 421 I CB -0.750 37.280 38.000 0.051 0.000 1.048 421 I HN -0.087 nan 8.210 nan 0.000 0.393 422 H N 2.602 121.674 119.070 0.003 0.000 2.457 422 H HA -0.151 4.405 4.556 0.000 0.000 0.297 422 H C 1.239 176.561 175.328 -0.009 0.000 1.092 422 H CA 1.431 57.477 56.048 -0.003 0.000 1.309 422 H CB 0.238 30.000 29.762 0.000 0.000 1.382 422 H HN 0.634 nan 8.280 nan 0.000 0.535 423 D N 0.304 120.777 120.400 0.122 0.000 2.340 423 D HA -0.044 4.596 4.640 0.000 0.000 0.220 423 D C 0.392 176.715 176.300 0.037 0.000 1.039 423 D CA 0.010 54.046 54.000 0.060 0.000 0.866 423 D CB -0.161 40.669 40.800 0.050 0.000 0.913 423 D HN 0.160 nan 8.370 nan 0.000 0.523 424 R N 0.631 121.154 120.500 0.039 0.000 2.438 424 R HA 0.120 4.460 4.340 0.000 0.000 0.287 424 R C 0.425 176.725 176.300 0.001 0.000 1.077 424 R CA -0.229 55.884 56.100 0.023 0.000 1.034 424 R CB 0.833 31.146 30.300 0.023 0.000 0.993 424 R HN -0.067 nan 8.270 nan 0.000 0.459 425 D N 1.328 121.736 120.400 0.014 0.000 2.263 425 D HA -0.158 4.482 4.640 0.000 0.000 0.208 425 D C 0.759 177.055 176.300 -0.007 0.000 0.971 425 D CA 1.247 55.259 54.000 0.020 0.000 0.867 425 D CB 0.264 41.096 40.800 0.054 0.000 0.929 425 D HN 0.584 nan 8.370 nan 0.000 0.492 426 D N -0.644 119.721 120.400 -0.058 0.000 2.342 426 D HA -0.013 4.627 4.640 0.000 0.000 0.221 426 D C -0.242 175.795 176.300 -0.438 0.000 1.101 426 D CA -0.109 53.721 54.000 -0.283 0.000 0.837 426 D CB -0.035 40.705 40.800 -0.100 0.000 0.938 426 D HN 0.002 nan 8.370 nan 0.000 0.508 427 V N 1.811 121.596 119.914 -0.216 0.000 2.311 427 V HA 0.241 4.361 4.120 0.000 0.000 0.275 427 V C 0.238 176.244 176.094 -0.147 0.000 1.022 427 V CA -0.770 61.433 62.300 -0.161 0.000 0.830 427 V CB 1.287 33.084 31.823 -0.044 0.000 1.012 427 V HN 0.128 nan 8.190 nan 0.000 0.452 428 L N 4.556 125.695 121.223 -0.141 0.000 2.319 428 L HA 0.434 4.774 4.340 0.000 0.000 0.280 428 L C -0.243 176.513 176.870 -0.190 0.000 1.099 428 L CA -0.064 54.696 54.840 -0.134 0.000 0.828 428 L CB 0.883 42.975 42.059 0.055 0.000 1.150 428 L HN 0.561 nan 8.230 nan 0.000 0.442 429 C N 3.153 122.210 119.300 -0.406 0.000 2.379 429 C HA 0.614 5.074 4.460 0.000 0.000 0.323 429 C C -0.567 174.093 174.990 -0.550 0.000 1.262 429 C CA -0.784 58.040 59.018 -0.323 0.000 1.581 429 C CB 0.507 28.082 27.740 -0.276 0.000 2.221 429 C HN 0.521 nan 8.230 nan 0.000 0.497 430 Y N 1.213 121.518 120.300 0.008 0.000 2.346 430 Y HA 0.559 5.110 4.550 0.001 0.000 0.332 430 Y C 0.348 176.261 175.900 0.022 0.000 0.985 430 Y CA -0.343 57.773 58.100 0.027 0.000 1.112 430 Y CB 1.558 40.050 38.460 0.054 0.000 1.170 430 Y HN 0.600 nan 8.280 nan 0.000 0.447 431 S N 0.983 116.763 115.700 0.133 0.000 2.542 431 S HA 0.545 5.015 4.470 0.000 0.000 0.293 431 S C -0.189 174.466 174.600 0.091 0.000 1.089 431 S CA -1.053 57.200 58.200 0.087 0.000 0.961 431 S CB 1.560 64.787 63.200 0.045 0.000 1.062 431 S HN 0.704 nan 8.310 nan 0.000 0.483 432 T N 0.103 114.698 114.554 0.068 0.000 2.726 432 T HA 0.289 4.639 4.350 0.000 0.000 0.294 432 T C 0.269 175.003 174.700 0.058 0.000 1.013 432 T CA -0.731 61.414 62.100 0.076 0.000 0.996 432 T CB 0.080 68.985 68.868 0.062 0.000 1.016 432 T HN 0.659 nan 8.240 nan 0.000 0.529 433 E N 0.528 120.762 120.200 0.056 0.000 2.409 433 E HA 0.109 4.460 4.350 0.000 0.000 0.257 433 E C -0.294 176.333 176.600 0.044 0.000 1.150 433 E CA -0.681 55.746 56.400 0.044 0.000 0.942 433 E CB 0.150 29.874 29.700 0.039 0.000 0.979 433 E HN 0.451 nan 8.360 nan 0.000 0.447 434 V N 2.044 121.982 119.914 0.040 0.000 2.617 434 V HA -0.066 4.055 4.120 0.000 0.000 0.304 434 V C 0.823 176.945 176.094 0.047 0.000 1.040 434 V CA 0.227 62.554 62.300 0.044 0.000 1.149 434 V CB -0.295 31.550 31.823 0.035 0.000 0.914 434 V HN 0.444 nan 8.190 nan 0.000 0.487 435 L N 5.175 126.433 121.223 0.059 0.000 2.380 435 L HA 0.256 4.596 4.340 0.000 0.000 0.273 435 L C 1.439 178.336 176.870 0.046 0.000 1.138 435 L CA 0.006 54.878 54.840 0.053 0.000 0.832 435 L CB 1.226 43.324 42.059 0.064 0.000 1.124 435 L HN 0.910 nan 8.230 nan 0.000 0.454 436 T N -3.314 111.261 114.554 0.034 0.000 3.014 436 T HA 0.185 4.536 4.350 0.000 0.000 0.250 436 T C 0.307 175.020 174.700 0.021 0.000 1.060 436 T CA -0.185 61.931 62.100 0.027 0.000 1.040 436 T CB 0.290 69.171 68.868 0.021 0.000 0.971 436 T HN 0.429 nan 8.240 nan 0.000 0.497 437 D N 2.164 122.577 120.400 0.022 0.000 2.671 437 D HA 0.405 5.045 4.640 0.000 0.000 0.232 437 D C -2.839 173.469 176.300 0.014 0.000 1.114 437 D CA -1.658 52.350 54.000 0.014 0.000 0.858 437 D CB 2.500 43.307 40.800 0.012 0.000 1.544 437 D HN 0.065 nan 8.370 nan 0.000 0.471 438 P HA 0.135 nan 4.420 nan 0.000 0.271 438 P C -0.613 176.696 177.300 0.015 0.000 1.218 438 P CA -0.312 62.785 63.100 -0.006 0.000 0.780 438 P CB 0.996 32.676 31.700 -0.034 0.000 0.901 439 V N 2.541 122.482 119.914 0.045 0.000 2.443 439 V HA 0.264 4.385 4.120 0.000 0.000 0.293 439 V C 0.253 176.404 176.094 0.094 0.000 1.021 439 V CA -0.571 61.764 62.300 0.059 0.000 0.848 439 V CB 1.367 33.212 31.823 0.037 0.000 0.998 439 V HN 0.594 nan 8.190 nan 0.000 0.424 440 E N 3.943 124.162 120.200 0.032 0.000 2.197 440 E HA 0.590 4.940 4.350 0.000 0.000 0.281 440 E C -1.462 175.138 176.600 0.000 0.000 0.995 440 E CA -0.467 55.934 56.400 0.001 0.000 0.808 440 E CB 1.837 31.507 29.700 -0.049 0.000 1.093 440 E HN 0.472 nan 8.360 nan 0.000 0.394 441 V N 4.778 124.698 119.914 0.010 0.000 2.325 441 V HA 0.312 4.433 4.120 0.000 0.000 0.280 441 V C -0.703 175.329 176.094 -0.103 0.000 1.016 441 V CA -0.506 61.782 62.300 -0.020 0.000 0.818 441 V CB 1.547 33.433 31.823 0.105 0.000 1.019 441 V HN 0.741 nan 8.190 nan 0.000 0.434 442 T N 3.621 118.105 114.554 -0.117 0.000 2.985 442 T HA 0.801 5.151 4.350 0.000 0.000 0.315 442 T C 0.232 174.855 174.700 -0.129 0.000 1.001 442 T CA 0.028 62.069 62.100 -0.098 0.000 1.016 442 T CB 1.440 70.284 68.868 -0.040 0.000 0.993 442 T HN 1.165 nan 8.240 nan 0.000 0.454 443 G N 2.093 110.869 108.800 -0.041 0.000 2.350 443 G HA2 0.373 4.334 3.960 0.000 0.000 0.276 443 G HA3 0.373 4.334 3.960 0.000 0.000 0.276 443 G C -0.454 174.516 174.900 0.117 0.000 1.313 443 G CA -0.327 44.628 45.100 -0.241 0.000 0.903 443 G HN 0.836 nan 8.290 nan 0.000 0.490 444 T N -1.657 112.965 114.554 0.113 0.000 2.913 444 T HA 0.597 4.947 4.350 0.000 0.000 0.297 444 T C -0.018 174.778 174.700 0.161 0.000 1.029 444 T CA -0.303 61.926 62.100 0.214 0.000 1.104 444 T CB 1.627 70.614 68.868 0.198 0.000 0.964 444 T HN 1.262 nan 8.240 nan 0.000 0.532 445 V N 2.580 122.569 119.914 0.126 0.000 2.656 445 V HA 0.797 4.918 4.120 0.000 0.000 0.307 445 V C -0.000 176.130 176.094 0.061 0.000 1.051 445 V CA -0.731 61.619 62.300 0.084 0.000 0.893 445 V CB 1.738 33.594 31.823 0.054 0.000 0.999 445 V HN 1.353 nan 8.190 nan 0.000 0.426 446 S N 2.730 118.455 115.700 0.042 0.000 2.596 446 S HA 0.967 5.437 4.470 0.000 0.000 0.270 446 S C -0.777 173.804 174.600 -0.031 0.000 1.155 446 S CA -0.275 57.928 58.200 0.004 0.000 0.827 446 S CB 2.184 65.379 63.200 -0.008 0.000 1.130 446 S HN 1.546 nan 8.310 nan 0.000 0.467 447 A N 1.187 123.962 122.820 -0.075 0.000 2.380 447 A HA 0.922 5.242 4.320 0.000 0.000 0.315 447 A C -0.796 176.646 177.584 -0.235 0.000 1.101 447 A CA -0.987 50.956 52.037 -0.156 0.000 0.771 447 A CB 1.261 20.196 19.000 -0.108 0.000 1.287 447 A HN 0.702 nan 8.150 nan 0.000 0.436 448 R N 1.555 121.797 120.500 -0.430 0.000 2.435 448 R HA 0.514 4.854 4.340 0.000 0.000 0.308 448 R C -1.639 174.442 176.300 -0.365 0.000 0.975 448 R CA -0.214 55.634 56.100 -0.420 0.000 0.867 448 R CB 1.033 31.042 30.300 -0.486 0.000 1.171 448 R HN 0.666 nan 8.270 nan 0.000 0.470 449 L N 3.108 124.152 121.223 -0.297 0.000 2.346 449 L HA 0.584 4.925 4.340 0.000 0.000 0.274 449 L C -0.543 176.150 176.870 -0.295 0.000 1.007 449 L CA -1.002 53.719 54.840 -0.197 0.000 0.818 449 L CB 1.455 43.405 42.059 -0.182 0.000 1.284 449 L HN 0.316 nan 8.230 nan 0.000 0.424 450 F N 2.612 122.536 119.950 -0.044 0.000 2.391 450 F HA 0.499 5.027 4.527 0.000 0.000 0.359 450 F C 0.316 176.096 175.800 -0.033 0.000 1.122 450 F CA -0.670 57.315 58.000 -0.025 0.000 1.120 450 F CB 1.466 40.487 39.000 0.035 0.000 1.142 450 F HN 0.125 nan 8.300 nan 0.000 0.483 451 V N 0.218 120.147 119.914 0.026 0.000 2.962 451 V HA 0.965 5.085 4.120 0.000 0.000 0.313 451 V C -0.585 175.584 176.094 0.125 0.000 1.099 451 V CA -0.872 61.368 62.300 -0.101 0.000 0.971 451 V CB 1.675 33.026 31.823 -0.786 0.000 1.028 451 V HN 0.714 nan 8.190 nan 0.000 0.430 452 S N 1.224 117.054 115.700 0.218 0.000 2.607 452 S HA 0.880 5.351 4.470 0.000 0.000 0.273 452 S C -0.716 174.053 174.600 0.281 0.000 1.148 452 S CA -0.387 57.979 58.200 0.277 0.000 0.833 452 S CB 1.806 65.173 63.200 0.277 0.000 1.130 452 S HN 1.618 nan 8.310 nan 0.000 0.470 453 S N -0.196 115.646 115.700 0.237 0.000 2.564 453 S HA 0.596 5.066 4.470 0.000 0.000 0.274 453 S C 0.758 175.422 174.600 0.107 0.000 1.124 453 S CA -0.029 58.274 58.200 0.171 0.000 0.869 453 S CB 1.718 65.019 63.200 0.169 0.000 1.105 453 S HN 1.285 nan 8.310 nan 0.000 0.472 454 S N 1.673 117.411 115.700 0.063 0.000 2.522 454 S HA 0.358 4.829 4.470 0.000 0.000 0.227 454 S C 0.680 175.302 174.600 0.036 0.000 0.986 454 S CA 0.297 58.523 58.200 0.042 0.000 0.929 454 S CB -0.189 63.023 63.200 0.020 0.000 0.769 454 S HN 0.918 nan 8.310 nan 0.000 0.529 455 A N 1.217 124.059 122.820 0.038 0.000 2.311 455 A HA 0.692 5.013 4.320 0.000 0.000 0.334 455 A C 0.925 178.526 177.584 0.028 0.000 1.139 455 A CA -0.310 51.742 52.037 0.024 0.000 0.830 455 A CB 1.297 20.306 19.000 0.015 0.000 1.234 455 A HN 0.838 nan 8.150 nan 0.000 0.483 456 V N -2.070 117.850 119.914 0.009 0.000 3.649 456 V HA 0.316 4.436 4.120 0.000 0.000 0.275 456 V C 0.051 176.126 176.094 -0.032 0.000 1.281 456 V CA 1.227 63.524 62.300 -0.004 0.000 1.143 456 V CB -0.953 30.865 31.823 -0.008 0.000 0.892 456 V HN 0.786 nan 8.190 nan 0.000 0.441 457 D N -1.650 118.736 120.400 -0.023 0.000 2.706 457 D HA 0.613 5.254 4.640 0.000 0.000 0.225 457 D C -0.768 175.525 176.300 -0.012 0.000 1.241 457 D CA 0.306 54.283 54.000 -0.038 0.000 0.784 457 D CB 2.329 43.099 40.800 -0.050 0.000 1.521 457 D HN 0.180 nan 8.370 nan 0.000 0.461 458 T N 0.791 115.328 114.554 -0.028 0.000 2.658 458 T HA 0.448 4.798 4.350 0.000 0.000 0.305 458 T C -1.972 172.643 174.700 -0.142 0.000 1.551 458 T CA -0.576 61.490 62.100 -0.058 0.000 0.985 458 T CB 1.012 69.820 68.868 -0.100 0.000 1.731 458 T HN 0.306 nan 8.240 nan 0.000 0.486 459 D N 0.135 120.358 120.400 -0.295 0.000 2.419 459 D HA 0.680 5.321 4.640 0.000 0.000 0.234 459 D C -1.212 174.723 176.300 -0.609 0.000 1.014 459 D CA -0.068 53.761 54.000 -0.285 0.000 0.919 459 D CB 1.259 41.938 40.800 -0.201 0.000 1.366 459 D HN 0.331 nan 8.370 nan 0.000 0.490 460 F N 0.126 120.061 119.950 -0.026 0.000 2.540 460 F HA 0.424 4.952 4.527 0.000 0.000 0.317 460 F C 0.574 176.363 175.800 -0.020 0.000 1.104 460 F CA -0.616 57.388 58.000 0.007 0.000 0.913 460 F CB 2.216 41.236 39.000 0.033 0.000 1.170 460 F HN 0.089 nan 8.300 nan 0.000 0.450 461 T N -0.005 114.646 114.554 0.162 0.000 2.908 461 T HA 0.950 5.300 4.350 0.000 0.000 0.290 461 T C -0.937 173.836 174.700 0.121 0.000 1.034 461 T CA -0.930 61.226 62.100 0.094 0.000 1.010 461 T CB 2.006 70.911 68.868 0.061 0.000 1.068 461 T HN 0.914 nan 8.240 nan 0.000 0.481 462 A N 1.567 124.445 122.820 0.097 0.000 2.486 462 A HA 0.805 5.125 4.320 0.000 0.000 0.300 462 A C -0.877 176.765 177.584 0.096 0.000 1.048 462 A CA -0.959 51.135 52.037 0.094 0.000 0.696 462 A CB 1.723 20.761 19.000 0.063 0.000 1.278 462 A HN 1.004 nan 8.150 nan 0.000 0.405 463 K N 2.241 122.704 120.400 0.105 0.000 2.507 463 K HA 0.572 4.892 4.320 0.000 0.000 0.251 463 K C -1.934 174.736 176.600 0.116 0.000 0.943 463 K CA -0.671 55.685 56.287 0.114 0.000 0.794 463 K CB 1.666 34.242 32.500 0.126 0.000 1.188 463 K HN 0.651 nan 8.250 nan 0.000 0.428 464 L N 4.701 125.992 121.223 0.114 0.000 2.312 464 L HA 0.500 4.840 4.340 0.000 0.000 0.281 464 L C -1.409 175.571 176.870 0.182 0.000 1.070 464 L CA -0.131 54.784 54.840 0.125 0.000 0.805 464 L CB 1.573 43.695 42.059 0.104 0.000 1.174 464 L HN 0.415 nan 8.230 nan 0.000 0.434 465 V N 3.777 123.824 119.914 0.223 0.000 2.760 465 V HA 0.371 4.491 4.120 0.000 0.000 0.309 465 V C -1.109 175.219 176.094 0.389 0.000 1.077 465 V CA -0.840 61.618 62.300 0.263 0.000 0.910 465 V CB 1.928 33.888 31.823 0.228 0.000 1.008 465 V HN 0.709 nan 8.190 nan 0.000 0.424 466 D N 3.124 123.768 120.400 0.407 0.000 2.359 466 D HA 0.358 4.998 4.640 0.000 0.000 0.230 466 D C -0.562 176.027 176.300 0.480 0.000 1.118 466 D CA -0.072 54.224 54.000 0.494 0.000 0.844 466 D CB 1.749 42.708 40.800 0.265 0.000 1.059 466 D HN 0.256 nan 8.370 nan 0.000 0.493 467 V N 5.415 125.560 119.914 0.386 0.000 2.408 467 V HA 0.226 4.346 4.120 0.000 0.000 0.267 467 V C 0.374 176.582 176.094 0.190 0.000 1.047 467 V CA -0.560 61.917 62.300 0.295 0.000 0.937 467 V CB -0.006 31.931 31.823 0.190 0.000 0.999 467 V HN 0.344 nan 8.190 nan 0.000 0.472 468 F N 6.741 126.624 119.950 -0.111 0.000 2.380 468 F HA 0.376 4.904 4.527 0.000 0.000 0.325 468 F C -0.941 174.684 175.800 -0.291 0.000 1.136 468 F CA -2.027 55.728 58.000 -0.407 0.000 1.171 468 F CB 0.582 39.452 39.000 -0.216 0.000 1.230 468 F HN 0.347 nan 8.300 nan 0.000 0.554 469 P HA -0.184 nan 4.420 nan 0.000 0.217 469 P C 0.576 177.879 177.300 0.005 0.000 1.148 469 P CA 1.598 64.654 63.100 -0.073 0.000 0.828 469 P CB -0.091 31.568 31.700 -0.068 0.000 0.783 470 D N -2.572 117.854 120.400 0.042 0.000 2.363 470 D HA 0.122 4.763 4.640 0.000 0.000 0.226 470 D C 1.442 177.755 176.300 0.023 0.000 1.020 470 D CA 0.788 54.806 54.000 0.029 0.000 0.892 470 D CB -0.672 40.143 40.800 0.025 0.000 0.900 470 D HN 0.246 nan 8.370 nan 0.000 0.531 471 G N -0.081 108.744 108.800 0.043 0.000 2.259 471 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 471 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 471 G C 0.355 175.277 174.900 0.036 0.000 1.001 471 G CA -0.317 44.809 45.100 0.043 0.000 0.627 471 G HN 0.377 nan 8.290 nan 0.000 0.501 472 R N 1.082 121.574 120.500 -0.013 0.000 2.538 472 R HA 0.453 4.794 4.340 0.000 0.000 0.282 472 R C 0.430 176.741 176.300 0.019 0.000 1.009 472 R CA 0.785 56.830 56.100 -0.091 0.000 1.063 472 R CB 0.584 30.701 30.300 -0.304 0.000 0.945 472 R HN 0.623 nan 8.270 nan 0.000 0.414 473 A N 5.613 128.436 122.820 0.005 0.000 2.508 473 A HA 0.303 4.623 4.320 0.000 0.000 0.336 473 A C -0.401 177.226 177.584 0.071 0.000 1.360 473 A CA -0.677 51.427 52.037 0.113 0.000 0.841 473 A CB 0.382 19.486 19.000 0.172 0.000 1.136 473 A HN 0.463 nan 8.150 nan 0.000 0.489 474 I N 2.508 123.158 120.570 0.133 0.000 2.325 474 I HA 0.310 4.480 4.170 0.000 0.000 0.291 474 I C 1.062 177.274 176.117 0.159 0.000 1.019 474 I CA -0.291 61.057 61.300 0.080 0.000 1.302 474 I CB 0.721 38.755 38.000 0.057 0.000 1.401 474 I HN 0.673 nan 8.210 nan 0.000 0.485 475 A N 7.158 130.054 122.820 0.126 0.000 2.540 475 A HA 0.312 4.632 4.320 0.000 0.000 0.239 475 A C 0.786 178.556 177.584 0.310 0.000 1.061 475 A CA 0.281 52.433 52.037 0.191 0.000 0.758 475 A CB 0.366 19.462 19.000 0.160 0.000 0.991 475 A HN 0.812 nan 8.150 nan 0.000 0.502 476 L N 1.701 123.079 121.223 0.259 0.000 2.985 476 L HA 0.231 4.571 4.340 0.000 0.000 0.177 476 L C 0.801 177.734 176.870 0.106 0.000 1.387 476 L CA 0.472 55.423 54.840 0.186 0.000 0.982 476 L CB -0.310 41.792 42.059 0.071 0.000 1.376 476 L HN 0.945 nan 8.230 nan 0.000 0.603 477 C N -1.217 118.128 119.300 0.075 0.000 2.971 477 C HA 0.846 5.306 4.460 0.000 0.000 0.310 477 C C -1.228 173.821 174.990 0.098 0.000 1.285 477 C CA -0.828 58.226 59.018 0.061 0.000 1.593 477 C CB 1.148 28.900 27.740 0.019 0.000 2.076 477 C HN 0.691 nan 8.230 nan 0.000 0.472 478 D N -0.801 119.662 120.400 0.106 0.000 2.622 478 D HA 0.734 5.374 4.640 0.000 0.000 0.255 478 D C -0.457 175.919 176.300 0.127 0.000 1.246 478 D CA -0.088 53.983 54.000 0.119 0.000 0.795 478 D CB 1.298 42.184 40.800 0.143 0.000 1.369 478 D HN 1.247 nan 8.370 nan 0.000 0.425 479 G N -0.787 108.080 108.800 0.112 0.000 2.721 479 G HA2 0.640 4.600 3.960 0.000 0.000 0.296 479 G HA3 0.640 4.600 3.960 0.000 0.000 0.296 479 G C -1.786 173.118 174.900 0.008 0.000 1.383 479 G CA -0.924 44.222 45.100 0.077 0.000 0.788 479 G HN 0.783 nan 8.290 nan 0.000 0.500 480 I N -0.830 119.660 120.570 -0.133 0.000 2.894 480 I HA 0.729 4.899 4.170 0.000 0.000 0.302 480 I C -1.494 174.541 176.117 -0.135 0.000 1.188 480 I CA -1.203 59.978 61.300 -0.198 0.000 1.014 480 I CB 2.393 40.075 38.000 -0.531 0.000 1.242 480 I HN 0.519 nan 8.210 nan 0.000 0.430 481 V N 6.859 126.745 119.914 -0.046 0.000 2.531 481 V HA 0.558 4.678 4.120 0.000 0.000 0.301 481 V C -0.699 175.414 176.094 0.031 0.000 1.034 481 V CA -0.553 61.750 62.300 0.004 0.000 0.865 481 V CB 1.803 33.653 31.823 0.045 0.000 0.995 481 V HN 0.822 nan 8.190 nan 0.000 0.424 482 R N 6.420 126.957 120.500 0.062 0.000 2.216 482 R HA 0.340 4.680 4.340 0.000 0.000 0.332 482 R C 1.060 177.416 176.300 0.093 0.000 1.056 482 R CA -0.522 55.642 56.100 0.107 0.000 0.901 482 R CB 1.017 31.458 30.300 0.235 0.000 1.039 482 R HN 0.782 nan 8.270 nan 0.000 0.456 483 M N 4.033 123.646 119.600 0.021 0.000 2.213 483 M HA -0.163 4.317 4.480 0.000 0.000 0.263 483 M C 1.856 178.081 176.300 -0.124 0.000 1.062 483 M CA 1.695 56.978 55.300 -0.029 0.000 1.105 483 M CB -0.741 31.839 32.600 -0.032 0.000 1.385 483 M HN 0.656 nan 8.290 nan 0.000 0.417 484 R N -0.436 119.945 120.500 -0.200 0.000 2.200 484 R HA -0.179 4.161 4.340 0.000 0.000 0.234 484 R C 0.673 176.732 176.300 -0.402 0.000 1.127 484 R CA 1.524 57.413 56.100 -0.351 0.000 0.989 484 R CB -0.761 29.245 30.300 -0.490 0.000 0.869 484 R HN 0.316 nan 8.270 nan 0.000 0.459 485 Y N 1.768 122.048 120.300 -0.032 0.000 2.571 485 Y HA 0.273 4.823 4.550 0.001 0.000 0.275 485 Y C 1.789 177.666 175.900 -0.038 0.000 1.179 485 Y CA -0.729 57.353 58.100 -0.030 0.000 1.242 485 Y CB 0.027 38.481 38.460 -0.010 0.000 1.126 485 Y HN 0.108 nan 8.280 nan 0.000 0.524 486 R N 0.054 120.576 120.500 0.036 0.000 2.127 486 R HA -0.138 4.202 4.340 0.000 0.000 0.238 486 R C 0.908 177.215 176.300 0.012 0.000 1.134 486 R CA 1.723 57.829 56.100 0.010 0.000 0.975 486 R CB -0.085 30.188 30.300 -0.045 0.000 0.865 486 R HN 0.223 nan 8.270 nan 0.000 0.447 487 E N 0.319 120.526 120.200 0.013 0.000 2.413 487 E HA 0.076 4.426 4.350 0.000 0.000 0.203 487 E C -0.096 176.516 176.600 0.020 0.000 0.957 487 E CA 0.508 56.915 56.400 0.012 0.000 0.950 487 E CB 1.214 30.919 29.700 0.008 0.000 0.957 487 E HN 0.274 nan 8.360 nan 0.000 0.497 488 T N -0.753 113.828 114.554 0.046 0.000 3.012 488 T HA 0.311 4.661 4.350 0.000 0.000 0.330 488 T C 0.260 175.030 174.700 0.117 0.000 1.321 488 T CA -0.522 61.606 62.100 0.045 0.000 1.067 488 T CB 0.629 69.512 68.868 0.024 0.000 1.235 488 T HN -0.084 nan 8.240 nan 0.000 0.479 489 L N 3.772 125.004 121.223 0.016 0.000 2.478 489 L HA 0.126 4.466 4.340 0.000 0.000 0.223 489 L C 2.035 178.859 176.870 -0.075 0.000 1.140 489 L CA 0.388 55.175 54.840 -0.089 0.000 0.842 489 L CB -0.097 41.766 42.059 -0.327 0.000 0.953 489 L HN 0.529 nan 8.230 nan 0.000 0.452 490 V N -1.489 118.412 119.914 -0.023 0.000 2.575 490 V HA 0.051 4.172 4.120 0.000 0.000 0.242 490 V C 0.580 176.702 176.094 0.047 0.000 1.045 490 V CA 0.843 63.129 62.300 -0.024 0.000 1.065 490 V CB -0.124 31.673 31.823 -0.042 0.000 0.717 490 V HN 0.427 nan 8.190 nan 0.000 0.467 491 N N 0.945 119.678 118.700 0.056 0.000 2.765 491 N HA 0.293 5.033 4.740 0.000 0.000 0.277 491 N C -2.844 172.672 175.510 0.009 0.000 1.750 491 N CA -0.802 52.267 53.050 0.031 0.000 0.827 491 N CB 1.184 39.678 38.487 0.013 0.000 1.200 491 N HN 0.344 nan 8.380 nan 0.000 0.494 492 P HA 0.108 nan 4.420 nan 0.000 0.272 492 P C -0.008 177.213 177.300 -0.131 0.000 1.223 492 P CA 0.172 63.181 63.100 -0.152 0.000 0.784 492 P CB 0.871 32.317 31.700 -0.425 0.000 0.923 493 T N -0.901 113.566 114.554 -0.144 0.000 2.903 493 T HA 0.596 4.947 4.350 0.000 0.000 0.299 493 T C 0.118 174.738 174.700 -0.133 0.000 1.093 493 T CA -0.953 61.083 62.100 -0.106 0.000 1.002 493 T CB 0.740 69.573 68.868 -0.059 0.000 1.127 493 T HN 0.144 nan 8.240 nan 0.000 0.488 494 L N 1.924 123.088 121.223 -0.100 0.000 2.475 494 L HA 0.596 4.937 4.340 0.000 0.000 0.253 494 L C 0.617 177.427 176.870 -0.100 0.000 1.198 494 L CA -1.209 53.570 54.840 -0.102 0.000 0.814 494 L CB 0.420 42.440 42.059 -0.065 0.000 1.134 494 L HN 0.730 nan 8.230 nan 0.000 0.478 495 I N -2.225 118.272 120.570 -0.122 0.000 2.822 495 I HA 0.433 4.603 4.170 0.000 0.000 0.312 495 I C -0.543 175.606 176.117 0.055 0.000 1.011 495 I CA -0.811 60.419 61.300 -0.116 0.000 1.105 495 I CB 1.597 39.359 38.000 -0.398 0.000 1.291 495 I HN 0.457 nan 8.210 nan 0.000 0.474 496 E N 3.031 123.356 120.200 0.209 0.000 2.197 496 E HA 0.411 4.761 4.350 0.000 0.000 0.281 496 E C -0.315 176.391 176.600 0.177 0.000 0.995 496 E CA -0.744 55.754 56.400 0.162 0.000 0.808 496 E CB 1.777 31.561 29.700 0.140 0.000 1.093 496 E HN 0.797 nan 8.360 nan 0.000 0.394 497 A N 1.864 124.748 122.820 0.107 0.000 2.567 497 A HA 0.329 4.650 4.320 0.000 0.000 0.240 497 A C 1.383 179.022 177.584 0.092 0.000 1.053 497 A CA 0.980 53.074 52.037 0.096 0.000 0.755 497 A CB -0.449 18.586 19.000 0.059 0.000 0.978 497 A HN 0.885 nan 8.150 nan 0.000 0.507 498 G N 1.127 109.988 108.800 0.102 0.000 2.267 498 G HA2 -0.264 3.696 3.960 0.000 0.000 0.257 498 G HA3 -0.264 3.696 3.960 0.000 0.000 0.257 498 G C 0.277 175.204 174.900 0.046 0.000 0.998 498 G CA 0.642 45.787 45.100 0.075 0.000 0.620 498 G HN 1.104 nan 8.290 nan 0.000 0.529 499 E N 0.430 120.662 120.200 0.053 0.000 2.331 499 E HA 0.525 4.875 4.350 0.000 0.000 0.272 499 E C 0.367 176.860 176.600 -0.178 0.000 1.036 499 E CA -0.744 55.595 56.400 -0.103 0.000 0.864 499 E CB 0.346 29.938 29.700 -0.179 0.000 1.035 499 E HN 0.357 nan 8.360 nan 0.000 0.408 500 I N 4.604 124.984 120.570 -0.317 0.000 2.342 500 I HA 0.145 4.315 4.170 0.000 0.000 0.291 500 I C -0.752 175.139 176.117 -0.376 0.000 1.010 500 I CA -0.346 60.784 61.300 -0.284 0.000 1.308 500 I CB 0.379 38.130 38.000 -0.414 0.000 1.400 500 I HN 0.484 nan 8.210 nan 0.000 0.488 501 Y N 4.031 124.311 120.300 -0.033 0.000 2.429 501 Y HA 0.337 4.887 4.550 0.000 0.000 0.342 501 Y C 0.213 176.022 175.900 -0.152 0.000 1.004 501 Y CA -0.796 57.273 58.100 -0.052 0.000 1.075 501 Y CB 1.503 39.935 38.460 -0.046 0.000 1.214 501 Y HN 0.476 nan 8.280 nan 0.000 0.455 502 E N 3.292 123.430 120.200 -0.103 0.000 2.115 502 E HA 0.507 4.858 4.350 0.000 0.000 0.282 502 E C -1.396 175.057 176.600 -0.244 0.000 0.987 502 E CA -0.633 55.486 56.400 -0.468 0.000 0.797 502 E CB 0.754 30.043 29.700 -0.684 0.000 1.086 502 E HN 0.533 nan 8.360 nan 0.000 0.397 503 V N 0.998 120.758 119.914 -0.256 0.000 2.864 503 V HA 0.900 5.020 4.120 0.000 0.000 0.314 503 V C -0.297 175.699 176.094 -0.163 0.000 1.073 503 V CA -0.978 61.233 62.300 -0.148 0.000 0.956 503 V CB 1.516 33.287 31.823 -0.087 0.000 1.023 503 V HN 0.679 nan 8.190 nan 0.000 0.435 504 A N 4.056 126.812 122.820 -0.107 0.000 2.306 504 A HA 0.891 5.211 4.320 0.000 0.000 0.314 504 A C -0.444 177.104 177.584 -0.060 0.000 1.164 504 A CA -0.691 51.289 52.037 -0.095 0.000 0.822 504 A CB 0.479 19.434 19.000 -0.074 0.000 1.130 504 A HN 0.916 nan 8.150 nan 0.000 0.496 505 I N 1.937 122.472 120.570 -0.058 0.000 2.410 505 I HA 0.198 4.369 4.170 0.000 0.000 0.286 505 I C -0.828 175.275 176.117 -0.024 0.000 1.009 505 I CA -0.638 60.645 61.300 -0.030 0.000 1.111 505 I CB 1.911 39.904 38.000 -0.011 0.000 1.262 505 I HN 0.602 nan 8.210 nan 0.000 0.443 506 D N 7.569 127.958 120.400 -0.018 0.000 2.336 506 D HA 0.224 4.864 4.640 0.000 0.000 0.249 506 D C 0.168 176.479 176.300 0.019 0.000 1.213 506 D CA 0.066 54.065 54.000 -0.002 0.000 0.870 506 D CB 1.025 41.819 40.800 -0.010 0.000 1.076 506 D HN 0.456 nan 8.370 nan 0.000 0.483 507 M N 4.590 124.211 119.600 0.036 0.000 2.549 507 M HA 0.164 4.645 4.480 0.000 0.000 0.273 507 M C 0.848 177.192 176.300 0.073 0.000 1.213 507 M CA -0.374 54.959 55.300 0.055 0.000 0.976 507 M CB 0.074 32.703 32.600 0.049 0.000 1.457 507 M HN 0.406 nan 8.290 nan 0.000 0.485 508 L N -0.725 120.546 121.223 0.080 0.000 6.267 508 L HA -0.350 3.991 4.340 0.000 0.000 0.053 508 L C 0.190 177.157 176.870 0.162 0.000 2.435 508 L CA 1.239 56.145 54.840 0.110 0.000 1.548 508 L CB -1.532 40.584 42.059 0.096 0.000 2.870 508 L HN 0.447 nan 8.230 nan 0.000 1.048 509 A N -1.317 121.616 122.820 0.189 0.000 2.609 509 A HA 0.799 5.119 4.320 0.000 0.000 0.291 509 A C -0.690 176.956 177.584 0.104 0.000 1.096 509 A CA 0.543 52.742 52.037 0.269 0.000 0.684 509 A CB 2.206 21.538 19.000 0.554 0.000 1.282 509 A HN 0.610 nan 8.150 nan 0.000 0.412 510 T N -0.713 113.757 114.554 -0.140 0.000 2.739 510 T HA 0.702 5.052 4.350 0.000 0.000 0.303 510 T C -1.554 172.512 174.700 -1.057 0.000 1.389 510 T CA 0.341 61.980 62.100 -0.767 0.000 1.001 510 T CB 1.565 70.154 68.868 -0.465 0.000 1.436 510 T HN 1.920 nan 8.240 nan 0.000 0.500 511 S N 1.984 116.828 115.700 -1.427 0.000 2.737 511 S HA 0.636 5.106 4.470 0.000 0.000 0.269 511 S C -1.568 172.652 174.600 -0.633 0.000 1.150 511 S CA -0.633 57.081 58.200 -0.811 0.000 1.077 511 S CB 0.157 62.985 63.200 -0.620 0.000 1.075 511 S HN 0.768 nan 8.310 nan 0.000 0.476 512 N N 2.776 121.211 118.700 -0.441 0.000 2.324 512 N HA 0.493 5.234 4.740 0.000 0.000 0.285 512 N C -1.687 173.589 175.510 -0.390 0.000 1.076 512 N CA -0.467 52.302 53.050 -0.467 0.000 0.864 512 N CB 2.006 40.112 38.487 -0.635 0.000 1.632 512 N HN 0.317 nan 8.380 nan 0.000 0.478 513 V N 3.746 123.442 119.914 -0.363 0.000 2.364 513 V HA 0.407 4.527 4.120 0.000 0.000 0.272 513 V C -0.441 175.423 176.094 -0.382 0.000 1.036 513 V CA -0.436 61.712 62.300 -0.253 0.000 0.880 513 V CB -0.153 31.553 31.823 -0.196 0.000 0.991 513 V HN 0.525 nan 8.190 nan 0.000 0.460 514 F N 5.638 125.450 119.950 -0.229 0.000 2.466 514 F HA 0.365 4.892 4.527 0.000 0.000 0.363 514 F C 0.541 176.150 175.800 -0.318 0.000 1.109 514 F CA -0.093 57.739 58.000 -0.281 0.000 1.161 514 F CB 0.089 38.998 39.000 -0.152 0.000 1.117 514 F HN 0.264 nan 8.300 nan 0.000 0.539 515 L N 5.262 126.198 121.223 -0.480 0.000 2.456 515 L HA 0.370 4.710 4.340 0.000 0.000 0.257 515 L C -2.045 174.785 176.870 -0.067 0.000 1.162 515 L CA -2.139 52.516 54.840 -0.309 0.000 0.808 515 L CB 0.397 42.194 42.059 -0.437 0.000 1.136 515 L HN 0.305 nan 8.230 nan 0.000 0.466 516 P HA 0.049 nan 4.420 nan 0.000 0.265 516 P C 0.585 177.958 177.300 0.122 0.000 1.193 516 P CA 0.813 63.946 63.100 0.055 0.000 0.765 516 P CB 0.662 32.379 31.700 0.028 0.000 0.823 517 G N 0.849 109.716 108.800 0.111 0.000 2.234 517 G HA2 -0.184 3.777 3.960 0.000 0.000 0.235 517 G HA3 -0.184 3.777 3.960 0.000 0.000 0.235 517 G C 0.229 175.163 174.900 0.056 0.000 0.997 517 G CA -0.308 44.843 45.100 0.086 0.000 0.623 517 G HN 0.647 nan 8.290 nan 0.000 0.514 518 H N 0.317 119.371 119.070 -0.027 0.000 2.517 518 H HA 0.671 5.227 4.556 0.001 0.000 0.346 518 H C 0.370 175.723 175.328 0.042 0.000 1.222 518 H CA -0.341 55.699 56.048 -0.012 0.000 1.314 518 H CB 1.016 30.742 29.762 -0.060 0.000 1.609 518 H HN 0.237 nan 8.280 nan 0.000 0.571 519 R N 0.610 121.223 120.500 0.188 0.000 2.803 519 R HA 0.431 4.772 4.340 0.000 0.000 0.276 519 R C -0.584 175.777 176.300 0.100 0.000 0.978 519 R CA -0.828 55.339 56.100 0.111 0.000 0.939 519 R CB 1.881 32.228 30.300 0.078 0.000 1.179 519 R HN 0.396 nan 8.270 nan 0.000 0.472 520 I N 2.742 123.235 120.570 -0.129 0.000 2.365 520 I HA 0.320 4.490 4.170 0.000 0.000 0.291 520 I C 0.070 176.124 176.117 -0.104 0.000 1.004 520 I CA -0.094 60.990 61.300 -0.361 0.000 1.311 520 I CB 1.166 38.675 38.000 -0.818 0.000 1.401 520 I HN 0.419 nan 8.210 nan 0.000 0.491 521 M N 6.886 126.491 119.600 0.008 0.000 2.518 521 M HA 0.652 5.132 4.480 0.000 0.000 0.300 521 M C -1.954 174.398 176.300 0.087 0.000 1.175 521 M CA -0.617 54.724 55.300 0.069 0.000 0.890 521 M CB 2.334 34.999 32.600 0.108 0.000 1.710 521 M HN 0.290 nan 8.290 nan 0.000 0.453 522 V N 3.454 123.443 119.914 0.125 0.000 2.604 522 V HA 0.437 4.558 4.120 0.000 0.000 0.305 522 V C -0.899 175.317 176.094 0.203 0.000 1.043 522 V CA -0.639 61.749 62.300 0.148 0.000 0.888 522 V CB 2.040 33.935 31.823 0.121 0.000 0.995 522 V HN 0.868 nan 8.190 nan 0.000 0.429 523 Q N 2.571 122.470 119.800 0.165 0.000 2.271 523 Q HA 0.694 5.034 4.340 0.000 0.000 0.258 523 Q C -1.200 174.894 176.000 0.157 0.000 0.936 523 Q CA -0.512 55.378 55.803 0.145 0.000 0.909 523 Q CB 2.492 31.300 28.738 0.117 0.000 1.253 523 Q HN 0.576 nan 8.270 nan 0.000 0.440 524 V N 1.546 121.568 119.914 0.179 0.000 2.555 524 V HA 0.679 4.799 4.120 0.000 0.000 0.302 524 V C -0.296 175.842 176.094 0.074 0.000 1.038 524 V CA -0.288 62.122 62.300 0.184 0.000 0.887 524 V CB 1.766 33.765 31.823 0.293 0.000 0.991 524 V HN 0.828 nan 8.190 nan 0.000 0.434 525 S N 2.414 118.158 115.700 0.074 0.000 2.873 525 S HA 0.537 5.007 4.470 0.000 0.000 0.303 525 S C 0.090 174.701 174.600 0.017 0.000 1.222 525 S CA 0.156 58.295 58.200 -0.101 0.000 0.923 525 S CB 1.980 65.090 63.200 -0.149 0.000 1.286 525 S HN 0.586 nan 8.310 nan 0.000 0.571 526 S N 0.636 116.243 115.700 -0.155 0.000 2.900 526 S HA 0.453 4.923 4.470 0.000 0.000 0.253 526 S C -0.765 173.458 174.600 -0.628 0.000 1.029 526 S CA 0.083 58.039 58.200 -0.407 0.000 1.096 526 S CB 0.439 63.354 63.200 -0.474 0.000 1.067 526 S HN 0.908 nan 8.310 nan 0.000 0.610 527 S N 1.355 116.846 115.700 -0.348 0.000 2.588 527 S HA 0.735 5.206 4.470 0.000 0.000 0.269 527 S C -1.457 173.152 174.600 0.014 0.000 1.157 527 S CA -0.779 57.298 58.200 -0.205 0.000 0.824 527 S CB 1.860 64.919 63.200 -0.235 0.000 1.126 527 S HN 0.045 nan 8.310 nan 0.000 0.464 528 N N 0.233 119.017 118.700 0.140 0.000 3.111 528 N HA 0.273 5.013 4.740 0.000 0.000 0.200 528 N C -2.149 173.481 175.510 0.200 0.000 1.464 528 N CA -0.284 52.872 53.050 0.176 0.000 0.758 528 N CB 0.397 39.013 38.487 0.215 0.000 1.548 528 N HN 0.663 nan 8.380 nan 0.000 0.595 529 F N 3.675 123.643 119.950 0.030 0.000 2.469 529 F HA 0.706 5.233 4.527 0.001 0.000 0.332 529 F C -1.780 173.976 175.800 -0.073 0.000 1.103 529 F CA -2.126 55.871 58.000 -0.006 0.000 0.979 529 F CB 2.071 41.084 39.000 0.020 0.000 1.137 529 F HN 0.162 nan 8.300 nan 0.000 0.463 530 P HA 0.068 nan 4.420 nan 0.000 0.254 530 P C 0.520 177.523 177.300 -0.494 0.000 1.494 530 P CA 0.140 62.537 63.100 -1.172 0.000 0.961 530 P CB 0.502 31.399 31.700 -1.338 0.000 1.493 531 K N 0.855 121.048 120.400 -0.344 0.000 2.074 531 K HA -0.135 4.185 4.320 0.000 0.000 0.209 531 K C -0.030 176.185 176.600 -0.643 0.000 1.048 531 K CA 1.561 57.573 56.287 -0.457 0.000 0.926 531 K CB -0.600 31.603 32.500 -0.495 0.000 0.713 531 K HN 0.112 nan 8.250 nan 0.000 0.444 532 Y N 0.935 121.213 120.300 -0.037 0.000 2.485 532 Y HA 0.221 4.771 4.550 0.000 0.000 0.345 532 Y C -0.252 175.711 175.900 0.106 0.000 0.998 532 Y CA -2.109 55.990 58.100 -0.002 0.000 1.059 532 Y CB 1.098 39.564 38.460 0.010 0.000 1.234 532 Y HN 0.116 nan 8.280 nan 0.000 0.461 533 D N 1.395 121.954 120.400 0.265 0.000 2.361 533 D HA 0.077 4.718 4.640 0.000 0.000 0.239 533 D C -0.526 175.948 176.300 0.290 0.000 1.200 533 D CA -0.399 53.790 54.000 0.314 0.000 0.915 533 D CB 0.729 41.647 40.800 0.196 0.000 1.170 533 D HN 0.521 nan 8.370 nan 0.000 0.444 534 R N 0.648 121.287 120.500 0.232 0.000 2.390 534 R HA 0.220 4.560 4.340 0.000 0.000 0.291 534 R C 0.218 176.619 176.300 0.167 0.000 1.070 534 R CA -0.532 55.668 56.100 0.167 0.000 1.014 534 R CB 0.226 30.541 30.300 0.027 0.000 1.007 534 R HN 0.500 nan 8.270 nan 0.000 0.466 535 N N 0.097 118.920 118.700 0.204 0.000 2.513 535 N HA -0.064 4.676 4.740 0.000 0.000 0.268 535 N C 0.836 176.446 175.510 0.166 0.000 1.180 535 N CA -0.167 52.988 53.050 0.175 0.000 0.948 535 N CB 0.763 39.337 38.487 0.146 0.000 1.083 535 N HN 0.611 nan 8.380 nan 0.000 0.455 536 S N 2.548 118.292 115.700 0.074 0.000 2.522 536 S HA -0.023 4.447 4.470 0.000 0.000 0.227 536 S C 0.285 174.873 174.600 -0.021 0.000 0.986 536 S CA -0.011 58.193 58.200 0.006 0.000 0.929 536 S CB -0.071 63.133 63.200 0.006 0.000 0.769 536 S HN 0.784 nan 8.310 nan 0.000 0.529 537 N N 1.079 119.785 118.700 0.010 0.000 2.754 537 N HA -0.124 4.616 4.740 0.000 0.000 0.248 537 N C 0.527 176.030 175.510 -0.012 0.000 1.093 537 N CA 1.374 54.427 53.050 0.006 0.000 0.699 537 N CB -2.073 36.400 38.487 -0.025 0.000 1.016 537 N HN 0.857 nan 8.380 nan 0.000 0.552 538 T N -5.593 108.956 114.554 -0.009 0.000 2.969 538 T HA 0.413 4.764 4.350 0.000 0.000 0.250 538 T C 1.439 176.131 174.700 -0.014 0.000 1.021 538 T CA 1.065 63.157 62.100 -0.013 0.000 1.003 538 T CB 0.897 69.758 68.868 -0.013 0.000 1.040 538 T HN 0.691 nan 8.240 nan 0.000 0.492 539 G N 1.025 109.814 108.800 -0.017 0.000 2.179 539 G HA2 -0.067 3.893 3.960 0.000 0.000 0.260 539 G HA3 -0.067 3.893 3.960 0.000 0.000 0.260 539 G C 0.506 175.391 174.900 -0.025 0.000 0.977 539 G CA 0.002 45.084 45.100 -0.030 0.000 0.641 539 G HN 1.013 nan 8.290 nan 0.000 0.533 540 G N -1.142 107.651 108.800 -0.010 0.000 2.543 540 G HA2 0.570 4.530 3.960 0.000 0.000 0.290 540 G HA3 0.570 4.530 3.960 0.000 0.000 0.290 540 G C 0.156 175.063 174.900 0.013 0.000 1.310 540 G CA 0.068 45.167 45.100 -0.001 0.000 1.025 540 G HN 0.883 nan 8.290 nan 0.000 0.502 541 V N 1.529 121.454 119.914 0.019 0.000 2.338 541 V HA 0.069 4.190 4.120 0.000 0.000 0.255 541 V C 1.508 177.630 176.094 0.047 0.000 1.082 541 V CA -0.035 62.287 62.300 0.037 0.000 0.951 541 V CB 0.104 31.942 31.823 0.026 0.000 1.102 541 V HN 0.607 nan 8.190 nan 0.000 0.489 542 I N 3.559 124.170 120.570 0.069 0.000 2.208 542 I HA -0.248 3.922 4.170 0.000 0.000 0.245 542 I C 2.450 178.607 176.117 0.067 0.000 1.097 542 I CA 1.925 63.268 61.300 0.070 0.000 1.363 542 I CB -0.179 37.882 38.000 0.102 0.000 1.051 542 I HN 0.670 nan 8.210 nan 0.000 0.413 543 A N -0.093 122.775 122.820 0.081 0.000 2.209 543 A HA -0.047 4.274 4.320 0.000 0.000 0.212 543 A C 2.024 179.634 177.584 0.045 0.000 1.158 543 A CA 0.931 53.009 52.037 0.069 0.000 0.742 543 A CB -0.253 18.797 19.000 0.083 0.000 0.790 543 A HN 0.243 nan 8.150 nan 0.000 0.472 544 R N 0.120 120.641 120.500 0.036 0.000 2.397 544 R HA 0.200 4.540 4.340 0.000 0.000 0.241 544 R C -0.423 175.886 176.300 0.015 0.000 0.914 544 R CA 0.074 56.187 56.100 0.021 0.000 1.071 544 R CB 0.142 30.452 30.300 0.016 0.000 1.116 544 R HN 0.619 nan 8.270 nan 0.000 0.524 545 E N 1.457 121.667 120.200 0.016 0.000 2.301 545 E HA 0.135 4.485 4.350 0.000 0.000 0.275 545 E C -0.317 176.284 176.600 0.002 0.000 1.030 545 E CA -0.230 56.173 56.400 0.006 0.000 0.852 545 E CB 1.075 30.777 29.700 0.004 0.000 1.060 545 E HN 0.022 nan 8.360 nan 0.000 0.401 546 Q N 1.741 121.538 119.800 -0.004 0.000 2.299 546 Q HA 0.066 4.406 4.340 0.000 0.000 0.246 546 Q C 0.733 176.721 176.000 -0.019 0.000 0.935 546 Q CA -0.468 55.329 55.803 -0.009 0.000 0.887 546 Q CB 1.067 29.800 28.738 -0.009 0.000 1.223 546 Q HN 0.461 nan 8.270 nan 0.000 0.439 547 L N 2.918 124.126 121.223 -0.025 0.000 2.042 547 L HA -0.256 4.085 4.340 0.000 0.000 0.210 547 L C 2.200 179.045 176.870 -0.042 0.000 1.076 547 L CA 2.105 56.920 54.840 -0.041 0.000 0.749 547 L CB -0.620 41.411 42.059 -0.046 0.000 0.893 547 L HN 0.839 nan 8.230 nan 0.000 0.432 548 E N -0.160 120.021 120.200 -0.031 0.000 2.209 548 E HA -0.283 4.067 4.350 0.000 0.000 0.196 548 E C 1.392 177.974 176.600 -0.031 0.000 0.993 548 E CA 1.551 57.933 56.400 -0.030 0.000 0.819 548 E CB -0.536 29.151 29.700 -0.021 0.000 0.745 548 E HN 0.844 nan 8.360 nan 0.000 0.477 549 E N 0.589 120.772 120.200 -0.028 0.000 2.479 549 E HA 0.100 4.450 4.350 0.000 0.000 0.193 549 E C 0.837 177.417 176.600 -0.033 0.000 1.049 549 E CA -0.230 56.154 56.400 -0.026 0.000 0.870 549 E CB -0.056 29.633 29.700 -0.018 0.000 0.944 549 E HN 0.225 nan 8.360 nan 0.000 0.492 550 M N 0.921 120.494 119.600 -0.045 0.000 2.163 550 M HA 0.237 4.718 4.480 0.000 0.000 0.305 550 M C -0.236 176.021 176.300 -0.072 0.000 1.166 550 M CA -0.499 54.766 55.300 -0.059 0.000 1.132 550 M CB 0.857 33.410 32.600 -0.078 0.000 1.413 550 M HN 0.050 nan 8.290 nan 0.000 0.478 551 C N 0.365 119.613 119.300 -0.087 0.000 2.493 551 C HA 0.605 5.066 4.460 0.000 0.000 0.326 551 C C 0.637 175.534 174.990 -0.155 0.000 1.200 551 C CA -0.924 58.039 59.018 -0.093 0.000 1.739 551 C CB 1.429 29.131 27.740 -0.062 0.000 2.300 551 C HN 0.889 nan 8.230 nan 0.000 0.500 552 T N 0.215 114.681 114.554 -0.146 0.000 2.868 552 T HA 0.646 4.997 4.350 0.000 0.000 0.292 552 T C -0.286 174.349 174.700 -0.108 0.000 1.028 552 T CA -0.307 61.687 62.100 -0.177 0.000 1.059 552 T CB 1.050 69.846 68.868 -0.120 0.000 0.991 552 T HN 1.167 nan 8.240 nan 0.000 0.531 553 A N 1.703 124.471 122.820 -0.087 0.000 2.393 553 A HA 0.642 4.963 4.320 0.000 0.000 0.306 553 A C -0.543 177.036 177.584 -0.008 0.000 1.050 553 A CA -0.905 51.120 52.037 -0.020 0.000 0.724 553 A CB 1.713 20.728 19.000 0.025 0.000 1.248 553 A HN 0.843 nan 8.150 nan 0.000 0.424 554 V N 3.976 123.879 119.914 -0.019 0.000 2.368 554 V HA 0.264 4.384 4.120 0.000 0.000 0.266 554 V C -0.359 175.687 176.094 -0.081 0.000 1.045 554 V CA -0.574 61.697 62.300 -0.049 0.000 0.899 554 V CB 0.438 32.247 31.823 -0.024 0.000 1.006 554 V HN 0.816 nan 8.190 nan 0.000 0.470 555 N N 4.456 123.008 118.700 -0.246 0.000 2.370 555 N HA 0.636 5.376 4.740 0.000 0.000 0.303 555 N C -0.554 174.763 175.510 -0.321 0.000 1.103 555 N CA -0.710 52.202 53.050 -0.230 0.000 0.848 555 N CB 2.546 40.856 38.487 -0.295 0.000 1.235 555 N HN 0.652 nan 8.380 nan 0.000 0.496 556 R N 1.421 121.895 120.500 -0.043 0.000 2.621 556 R HA 0.468 4.809 4.340 0.000 0.000 0.284 556 R C -1.438 174.809 176.300 -0.088 0.000 0.998 556 R CA -0.579 55.454 56.100 -0.111 0.000 0.895 556 R CB 1.006 31.198 30.300 -0.180 0.000 1.195 556 R HN 0.379 nan 8.270 nan 0.000 0.450 557 I N 4.148 124.674 120.570 -0.073 0.000 2.339 557 I HA 0.290 4.460 4.170 0.000 0.000 0.290 557 I C -0.298 175.728 176.117 -0.152 0.000 0.994 557 I CA -0.781 60.500 61.300 -0.032 0.000 1.191 557 I CB 1.026 39.104 38.000 0.130 0.000 1.343 557 I HN 0.679 nan 8.210 nan 0.000 0.458 558 H N 6.152 125.229 119.070 0.013 0.000 2.489 558 H HA 0.691 5.247 4.556 0.000 0.000 0.322 558 H C -0.065 175.298 175.328 0.058 0.000 1.091 558 H CA -0.514 55.518 56.048 -0.026 0.000 1.291 558 H CB 1.073 30.687 29.762 -0.245 0.000 1.436 558 H HN 0.473 nan 8.280 nan 0.000 0.480 559 R N 1.815 122.411 120.500 0.160 0.000 2.566 559 R HA 0.754 5.094 4.340 0.000 0.000 0.271 559 R C -0.908 175.452 176.300 0.101 0.000 1.071 559 R CA -1.052 55.130 56.100 0.136 0.000 0.915 559 R CB 1.918 32.287 30.300 0.114 0.000 1.228 559 R HN 0.865 nan 8.270 nan 0.000 0.449 560 G N 1.521 110.349 108.800 0.046 0.000 2.352 560 G HA2 0.119 4.080 3.960 0.000 0.000 0.283 560 G HA3 0.119 4.080 3.960 0.000 0.000 0.283 560 G C -2.667 172.164 174.900 -0.116 0.000 1.308 560 G CA -0.755 44.333 45.100 -0.020 0.000 0.892 560 G HN 0.317 nan 8.290 nan 0.000 0.504 561 P HA 0.046 nan 4.420 nan 0.000 0.218 561 P C 1.090 178.233 177.300 -0.261 0.000 1.149 561 P CA 1.226 64.209 63.100 -0.195 0.000 0.817 561 P CB 0.305 31.911 31.700 -0.156 0.000 0.785 562 E N -1.297 118.691 120.200 -0.354 0.000 2.447 562 E HA -0.007 4.343 4.350 0.000 0.000 0.195 562 E C -0.040 175.957 176.600 -1.006 0.000 1.028 562 E CA 0.442 56.494 56.400 -0.580 0.000 0.876 562 E CB -0.121 29.208 29.700 -0.618 0.000 0.885 562 E HN 0.518 nan 8.360 nan 0.000 0.500 563 H N 0.071 118.826 119.070 -0.525 0.000 2.380 563 H HA 0.180 4.736 4.556 0.000 0.000 0.231 563 H C -2.245 172.753 175.328 -0.550 0.000 1.415 563 H CA -1.566 53.851 56.048 -1.051 0.000 1.433 563 H CB 0.836 30.221 29.762 -0.628 0.000 1.544 563 H HN -0.070 nan 8.280 nan 0.000 0.503 564 P HA 0.047 nan 4.420 nan 0.000 0.225 564 P C -0.203 177.491 177.300 0.658 0.000 1.813 564 P CA -0.185 63.045 63.100 0.217 0.000 1.013 564 P CB 0.103 31.884 31.700 0.135 0.000 1.961 565 S N 3.128 119.162 115.700 0.558 0.000 2.563 565 S HA 0.080 4.551 4.470 0.000 0.000 0.294 565 S C 0.555 175.364 174.600 0.348 0.000 1.279 565 S CA 0.379 58.839 58.200 0.434 0.000 1.069 565 S CB -0.377 62.967 63.200 0.240 0.000 0.828 565 S HN 0.578 nan 8.310 nan 0.000 0.497 566 H N 0.414 119.528 119.070 0.072 0.000 2.981 566 H HA 0.522 5.078 4.556 0.000 0.000 0.327 566 H C -1.204 174.082 175.328 -0.070 0.000 1.342 566 H CA -1.020 54.985 56.048 -0.072 0.000 1.123 566 H CB 0.769 30.330 29.762 -0.334 0.000 1.851 566 H HN 0.540 nan 8.280 nan 0.000 0.531 567 I N 1.738 122.318 120.570 0.017 0.000 2.437 567 I HA 0.340 4.510 4.170 0.000 0.000 0.298 567 I C -0.759 175.437 176.117 0.131 0.000 0.984 567 I CA -1.054 60.243 61.300 -0.005 0.000 1.214 567 I CB 1.239 39.226 38.000 -0.021 0.000 1.365 567 I HN 0.376 nan 8.210 nan 0.000 0.469 568 V N 8.235 128.218 119.914 0.116 0.000 2.348 568 V HA 0.314 4.434 4.120 0.000 0.000 0.270 568 V C 0.074 176.244 176.094 0.126 0.000 1.037 568 V CA -0.455 61.952 62.300 0.178 0.000 0.872 568 V CB 0.744 32.676 31.823 0.182 0.000 1.002 568 V HN 0.494 nan 8.190 nan 0.000 0.464 569 L N 7.755 129.046 121.223 0.114 0.000 2.295 569 L HA 0.487 4.827 4.340 0.000 0.000 0.285 569 L C -2.177 174.693 176.870 -0.000 0.000 1.035 569 L CA -1.827 53.015 54.840 0.003 0.000 0.806 569 L CB 2.345 44.288 42.059 -0.193 0.000 1.214 569 L HN 0.390 nan 8.230 nan 0.000 0.426 570 P HA 0.136 nan 4.420 nan 0.000 0.268 570 P C -0.601 176.566 177.300 -0.221 0.000 1.541 570 P CA -0.216 62.709 63.100 -0.290 0.000 1.093 570 P CB 0.188 31.708 31.700 -0.300 0.000 1.551 571 I N 5.402 125.867 120.570 -0.175 0.000 2.371 571 I HA 0.231 4.401 4.170 0.000 0.000 0.290 571 I C 0.807 176.854 176.117 -0.117 0.000 1.028 571 I CA -0.573 60.673 61.300 -0.090 0.000 1.345 571 I CB 0.653 38.650 38.000 -0.004 0.000 1.407 571 I HN 0.199 nan 8.210 nan 0.000 0.501 572 I N 5.828 126.345 120.570 -0.088 0.000 2.378 572 I HA 0.358 4.528 4.170 0.000 0.000 0.291 572 I C 0.535 176.623 176.117 -0.047 0.000 0.992 572 I CA -0.793 60.460 61.300 -0.078 0.000 1.154 572 I CB 1.047 39.001 38.000 -0.077 0.000 1.315 572 I HN 0.588 nan 8.210 nan 0.000 0.448 573 K N 7.027 127.403 120.400 -0.040 0.000 2.450 573 K HA 0.776 5.096 4.320 0.000 0.000 0.257 573 K C -0.246 176.340 176.600 -0.023 0.000 0.953 573 K CA -0.799 55.472 56.287 -0.026 0.000 0.844 573 K CB 1.825 34.313 32.500 -0.019 0.000 1.103 573 K HN 0.652 nan 8.250 nan 0.000 0.429 574 R N 0.000 120.488 120.500 -0.021 0.000 2.786 574 R HA 0.000 4.340 4.340 0.000 0.000 0.208 574 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 574 R CB 0.000 30.290 30.300 -0.017 0.000 0.687 574 R HN 0.000 nan 8.270 nan 0.000 0.535