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 1gg4_1_A DATA FIRST_RESID 2 DATA SEQUENCE ISVTLSQLTD ILNGELQGAD ITLDAVTTDT RKLTPGCLFV ALKGERFDAH DATA SEQUENCE DFADQAKAGG AGALLVSRPL DIDLPQLIVK DTRLAFGELA AWVRQQVPAR DATA SEQUENCE VVALTGSSGK TSVKEXTAAI LSQCGNTLYT AGNLNNDIGV PXTLLRLTPE DATA SEQUENCE YDYAVIELGA NHQGEIAWTV SLTRPEAALV NNLAXXXXXX XXSLAGVAKA DATA SEQUENCE KGEIFSGLPE NGIAIXNADN NDWLNWQSVI GSRKVWRFSP NAANSDFTAT DATA SEQUENCE NIHVTSHGTE FTLQTPTGSV DVLLPLPGRH NIANALAAAA LSXSVGATLD DATA SEQUENCE AIKAGLANLK AVPGRLFPIQ LAENQLLLDD SYNANVGSXT AAVQVLAEXP DATA SEQUENCE GYRVLVVGDX AELGAESEAC HVQVGEAAKA AGIDRVLSVG KQSHAISTAS DATA SEQUENCE GVGEHFADKT ALITRLKLLI AEQQVITILV KGSRSAAXEE VVRALQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.198 176.117 0.135 0.000 1.063 2 I CA 0.000 61.356 61.300 0.094 0.000 1.566 2 I CB 0.000 38.045 38.000 0.075 0.000 1.214 3 S N 1.551 117.318 115.700 0.111 0.000 2.531 3 S HA 0.601 5.071 4.470 0.000 0.000 0.279 3 S C -0.564 174.125 174.600 0.148 0.000 1.305 3 S CA -0.217 58.046 58.200 0.105 0.000 1.058 3 S CB 0.643 63.886 63.200 0.072 0.000 0.899 3 S HN 0.584 nan 8.310 nan 0.000 0.493 4 V N 4.724 124.703 119.914 0.108 0.000 3.012 4 V HA 0.702 4.822 4.120 0.000 0.000 0.307 4 V C -0.340 175.752 176.094 -0.002 0.000 1.166 4 V CA -0.595 61.741 62.300 0.060 0.000 0.974 4 V CB 2.588 34.411 31.823 -0.000 0.000 1.040 4 V HN 0.986 nan 8.190 nan 0.000 0.428 5 T N 3.296 117.828 114.554 -0.037 0.000 2.907 5 T HA 0.459 4.809 4.350 0.000 0.000 0.284 5 T C 0.898 175.559 174.700 -0.065 0.000 1.004 5 T CA -0.561 61.518 62.100 -0.035 0.000 1.063 5 T CB 1.498 70.352 68.868 -0.023 0.000 0.992 5 T HN 0.426 nan 8.240 nan 0.000 0.483 6 L N 2.548 123.747 121.223 -0.041 0.000 2.043 6 L HA -0.124 4.216 4.340 0.000 0.000 0.212 6 L C 3.010 179.846 176.870 -0.058 0.000 1.075 6 L CA 2.463 57.277 54.840 -0.043 0.000 0.752 6 L CB -1.450 40.597 42.059 -0.020 0.000 0.891 6 L HN 1.019 nan 8.230 nan 0.000 0.432 7 S N -1.744 113.927 115.700 -0.048 0.000 2.382 7 S HA -0.247 4.224 4.470 0.000 0.000 0.228 7 S C 1.850 176.406 174.600 -0.073 0.000 1.027 7 S CA 1.060 59.232 58.200 -0.048 0.000 0.991 7 S CB -0.514 62.668 63.200 -0.031 0.000 0.823 7 S HN 0.566 nan 8.310 nan 0.000 0.469 8 Q N 0.152 119.891 119.800 -0.102 0.000 2.119 8 Q HA 0.047 4.387 4.340 0.000 0.000 0.201 8 Q C 1.979 177.841 176.000 -0.229 0.000 0.972 8 Q CA 1.093 56.801 55.803 -0.158 0.000 0.847 8 Q CB -0.344 28.272 28.738 -0.204 0.000 0.903 8 Q HN 0.409 nan 8.270 nan 0.000 0.433 9 L N 0.490 121.581 121.223 -0.220 0.000 2.201 9 L HA -0.151 4.189 4.340 0.000 0.000 0.212 9 L C 2.595 179.386 176.870 -0.133 0.000 1.105 9 L CA 1.979 56.690 54.840 -0.216 0.000 0.775 9 L CB -1.245 40.721 42.059 -0.154 0.000 0.913 9 L HN 0.382 nan 8.230 nan 0.000 0.440 10 T N -3.325 111.173 114.554 -0.093 0.000 2.720 10 T HA -0.266 4.084 4.350 0.000 0.000 0.268 10 T C 1.613 176.278 174.700 -0.057 0.000 1.037 10 T CA 1.542 63.607 62.100 -0.058 0.000 1.144 10 T CB -0.568 68.274 68.868 -0.042 0.000 0.864 10 T HN 0.405 nan 8.240 nan 0.000 0.444 11 D N 1.280 121.635 120.400 -0.074 0.000 2.077 11 D HA -0.050 4.590 4.640 0.000 0.000 0.197 11 D C 2.115 178.373 176.300 -0.070 0.000 0.983 11 D CA 1.163 55.127 54.000 -0.060 0.000 0.841 11 D CB -0.456 40.307 40.800 -0.062 0.000 0.992 11 D HN 0.443 nan 8.370 nan 0.000 0.450 12 I N 0.027 120.513 120.570 -0.139 0.000 2.113 12 I HA -0.296 3.874 4.170 0.000 0.000 0.242 12 I C 1.942 178.018 176.117 -0.069 0.000 1.057 12 I CA 1.222 62.427 61.300 -0.159 0.000 1.314 12 I CB -0.332 37.419 38.000 -0.415 0.000 1.022 12 I HN 0.225 nan 8.210 nan 0.000 0.408 13 L N 0.109 121.292 121.223 -0.066 0.000 2.611 13 L HA 0.147 4.487 4.340 0.000 0.000 0.229 13 L C 0.384 177.259 176.870 0.008 0.000 1.137 13 L CA -0.175 54.662 54.840 -0.006 0.000 0.901 13 L CB -0.671 41.387 42.059 -0.002 0.000 1.098 13 L HN 0.366 nan 8.230 nan 0.000 0.456 14 N N 1.579 120.276 118.700 -0.005 0.000 2.642 14 N HA -0.138 4.602 4.740 0.000 0.000 0.269 14 N C -0.361 175.150 175.510 0.002 0.000 1.073 14 N CA 0.910 53.961 53.050 0.002 0.000 0.748 14 N CB -0.706 37.791 38.487 0.017 0.000 0.894 14 N HN 0.524 nan 8.380 nan 0.000 0.548 15 G N 0.395 109.190 108.800 -0.009 0.000 2.690 15 G HA2 0.492 4.452 3.960 0.000 0.000 0.291 15 G HA3 0.492 4.452 3.960 0.000 0.000 0.291 15 G C -1.657 173.236 174.900 -0.012 0.000 1.403 15 G CA -0.777 44.320 45.100 -0.006 0.000 0.864 15 G HN 0.350 nan 8.290 nan 0.000 0.480 16 E N 0.441 120.635 120.200 -0.010 0.000 2.227 16 E HA 0.327 4.677 4.350 0.000 0.000 0.282 16 E C -0.742 175.850 176.600 -0.013 0.000 1.015 16 E CA -0.540 55.853 56.400 -0.011 0.000 0.823 16 E CB 1.480 31.174 29.700 -0.010 0.000 1.081 16 E HN 0.364 nan 8.360 nan 0.000 0.396 17 L N 4.859 126.074 121.223 -0.014 0.000 2.260 17 L HA 0.195 4.535 4.340 0.000 0.000 0.289 17 L C -0.195 176.669 176.870 -0.010 0.000 1.057 17 L CA 0.018 54.850 54.840 -0.013 0.000 0.811 17 L CB 0.659 42.708 42.059 -0.015 0.000 1.184 17 L HN 0.643 nan 8.230 nan 0.000 0.429 18 Q N 4.296 124.091 119.800 -0.008 0.000 2.773 18 Q HA 0.488 4.828 4.340 0.000 0.000 0.373 18 Q C -0.525 175.472 176.000 -0.005 0.000 0.940 18 Q CA -0.277 55.521 55.803 -0.008 0.000 1.015 18 Q CB 0.950 29.682 28.738 -0.011 0.000 1.349 18 Q HN 0.901 nan 8.270 nan 0.000 0.413 19 G N -0.134 108.663 108.800 -0.004 0.000 2.321 19 G HA2 0.485 4.445 3.960 0.000 0.000 0.296 19 G HA3 0.485 4.445 3.960 0.000 0.000 0.296 19 G C -1.466 173.433 174.900 -0.002 0.000 1.287 19 G CA -0.320 44.779 45.100 -0.002 0.000 0.846 19 G HN 0.371 nan 8.290 nan 0.000 0.508 20 A N -0.655 122.165 122.820 -0.000 0.000 2.310 20 A HA 0.606 4.926 4.320 0.000 0.000 0.260 20 A C 0.237 177.820 177.584 -0.001 0.000 1.112 20 A CA 0.492 52.529 52.037 -0.000 0.000 0.804 20 A CB 0.270 19.271 19.000 0.001 0.000 1.081 20 A HN 0.740 nan 8.150 nan 0.000 0.499 21 D N -1.161 119.238 120.400 -0.002 0.000 2.354 21 D HA 0.632 5.272 4.640 0.000 0.000 0.247 21 D C -0.462 175.839 176.300 0.001 0.000 1.138 21 D CA 0.190 54.188 54.000 -0.003 0.000 0.958 21 D CB 0.529 41.325 40.800 -0.005 0.000 1.144 21 D HN 0.347 nan 8.370 nan 0.000 0.458 22 I N -0.110 120.461 120.570 0.001 0.000 2.908 22 I HA 0.111 4.282 4.170 0.000 0.000 0.300 22 I C -0.703 175.419 176.117 0.008 0.000 1.385 22 I CA -0.666 60.638 61.300 0.007 0.000 1.004 22 I CB 2.481 40.489 38.000 0.012 0.000 1.309 22 I HN 0.168 nan 8.210 nan 0.000 0.449 23 T N 5.222 119.785 114.554 0.015 0.000 2.795 23 T HA 0.670 5.020 4.350 0.000 0.000 0.282 23 T C -0.422 174.295 174.700 0.029 0.000 0.980 23 T CA -0.359 61.754 62.100 0.021 0.000 1.012 23 T CB 0.836 69.719 68.868 0.024 0.000 0.936 23 T HN 0.204 nan 8.240 nan 0.000 0.457 24 L N 2.282 123.526 121.223 0.035 0.000 2.330 24 L HA 0.595 4.935 4.340 0.000 0.000 0.271 24 L C 0.535 177.440 176.870 0.059 0.000 1.013 24 L CA -0.554 54.315 54.840 0.047 0.000 0.816 24 L CB 1.700 43.789 42.059 0.050 0.000 1.287 24 L HN 0.599 nan 8.230 nan 0.000 0.435 25 D N -0.047 120.390 120.400 0.062 0.000 2.497 25 D HA 0.401 5.041 4.640 0.000 0.000 0.256 25 D C -0.640 175.700 176.300 0.067 0.000 1.273 25 D CA 0.171 54.208 54.000 0.063 0.000 0.812 25 D CB 1.108 41.936 40.800 0.047 0.000 1.190 25 D HN 0.577 nan 8.370 nan 0.000 0.524 26 A N 0.083 122.947 122.820 0.073 0.000 2.566 26 A HA 0.647 4.968 4.320 0.000 0.000 0.297 26 A C -1.817 175.823 177.584 0.094 0.000 1.059 26 A CA -0.587 51.498 52.037 0.079 0.000 0.691 26 A CB 1.726 20.766 19.000 0.066 0.000 1.282 26 A HN 0.197 nan 8.150 nan 0.000 0.401 27 V N 0.959 120.939 119.914 0.111 0.000 3.007 27 V HA 0.975 5.095 4.120 0.000 0.000 0.311 27 V C -0.538 175.637 176.094 0.135 0.000 1.120 27 V CA 0.587 62.965 62.300 0.131 0.000 0.980 27 V CB 2.219 34.143 31.823 0.169 0.000 1.033 27 V HN 1.783 nan 8.190 nan 0.000 0.429 28 T N 1.840 116.455 114.554 0.102 0.000 2.830 28 T HA 0.432 4.782 4.350 0.000 0.000 0.322 28 T C 0.226 174.857 174.700 -0.116 0.000 1.501 28 T CA 0.370 62.505 62.100 0.058 0.000 1.036 28 T CB 1.710 70.638 68.868 0.099 0.000 1.379 28 T HN 1.132 nan 8.240 nan 0.000 0.493 29 T N -0.819 113.615 114.554 -0.200 0.000 3.044 29 T HA 0.338 4.688 4.350 0.000 0.000 0.260 29 T C -0.054 174.567 174.700 -0.130 0.000 1.019 29 T CA -0.152 61.690 62.100 -0.430 0.000 0.921 29 T CB 0.141 68.701 68.868 -0.513 0.000 1.053 29 T HN 0.425 nan 8.240 nan 0.000 0.533 30 D N 1.780 122.211 120.400 0.051 0.000 2.408 30 D HA 0.339 4.979 4.640 0.000 0.000 0.243 30 D C 1.331 177.713 176.300 0.137 0.000 1.075 30 D CA -0.311 53.731 54.000 0.070 0.000 0.832 30 D CB 2.229 43.020 40.800 -0.016 0.000 1.162 30 D HN 0.093 nan 8.370 nan 0.000 0.515 31 T N 1.934 116.526 114.554 0.065 0.000 2.833 31 T HA -0.162 4.188 4.350 0.000 0.000 0.269 31 T C 1.494 176.164 174.700 -0.050 0.000 1.054 31 T CA 0.906 62.970 62.100 -0.060 0.000 1.135 31 T CB -0.088 68.684 68.868 -0.160 0.000 0.869 31 T HN 0.411 nan 8.240 nan 0.000 0.466 32 R N 1.109 121.580 120.500 -0.049 0.000 2.323 32 R HA 0.179 4.519 4.340 0.000 0.000 0.198 32 R C 1.073 177.365 176.300 -0.015 0.000 0.988 32 R CA 0.432 56.508 56.100 -0.040 0.000 1.041 32 R CB 0.062 30.329 30.300 -0.054 0.000 0.926 32 R HN 0.191 nan 8.270 nan 0.000 0.476 33 K N 0.651 121.056 120.400 0.007 0.000 2.676 33 K HA 0.185 4.505 4.320 0.000 0.000 0.205 33 K C -0.593 176.035 176.600 0.046 0.000 1.084 33 K CA -0.332 55.969 56.287 0.025 0.000 1.057 33 K CB 0.772 33.289 32.500 0.029 0.000 0.791 33 K HN -0.031 nan 8.250 nan 0.000 0.484 34 L N 1.480 122.725 121.223 0.036 0.000 2.439 34 L HA 0.245 4.586 4.340 0.000 0.000 0.269 34 L C 0.691 177.582 176.870 0.034 0.000 1.179 34 L CA 0.629 55.496 54.840 0.045 0.000 0.828 34 L CB 0.448 42.513 42.059 0.010 0.000 1.106 34 L HN 0.083 nan 8.230 nan 0.000 0.467 35 T N 1.311 115.891 114.554 0.043 0.000 2.907 35 T HA 0.435 4.785 4.350 0.000 0.000 0.292 35 T C -2.609 172.110 174.700 0.032 0.000 1.043 35 T CA -1.646 60.474 62.100 0.034 0.000 1.003 35 T CB 1.636 70.527 68.868 0.040 0.000 1.084 35 T HN 0.258 nan 8.240 nan 0.000 0.483 36 P HA 0.225 nan 4.420 nan 0.000 0.250 36 P C 0.864 178.180 177.300 0.026 0.000 1.161 36 P CA 1.210 64.322 63.100 0.020 0.000 0.863 36 P CB -0.481 31.229 31.700 0.016 0.000 0.827 37 G N 2.322 111.140 108.800 0.030 0.000 2.212 37 G HA2 -0.227 3.733 3.960 0.000 0.000 0.255 37 G HA3 -0.227 3.733 3.960 0.000 0.000 0.255 37 G C 0.363 175.291 174.900 0.048 0.000 1.062 37 G CA -0.270 44.851 45.100 0.035 0.000 0.815 37 G HN 0.748 nan 8.290 nan 0.000 0.497 38 C N -1.340 117.997 119.300 0.061 0.000 2.352 38 C HA 0.909 5.369 4.460 0.000 0.000 0.387 38 C C 0.657 175.707 174.990 0.100 0.000 1.294 38 C CA -1.636 57.430 59.018 0.079 0.000 2.137 38 C CB 1.282 29.075 27.740 0.088 0.000 2.146 38 C HN 1.091 nan 8.230 nan 0.000 0.559 39 L N 1.459 122.748 121.223 0.110 0.000 2.272 39 L HA 0.555 4.895 4.340 0.000 0.000 0.289 39 L C -0.735 176.229 176.870 0.157 0.000 1.032 39 L CA -0.465 54.447 54.840 0.119 0.000 0.810 39 L CB 0.462 42.574 42.059 0.089 0.000 1.205 39 L HN 0.758 nan 8.230 nan 0.000 0.422 40 F N 6.242 126.210 119.950 0.030 0.000 2.371 40 F HA 0.506 5.033 4.527 0.000 0.000 0.363 40 F C -0.526 175.282 175.800 0.012 0.000 1.122 40 F CA -0.606 57.404 58.000 0.017 0.000 1.129 40 F CB 0.904 39.918 39.000 0.024 0.000 1.173 40 F HN 0.223 nan 8.300 nan 0.000 0.489 41 V N 6.771 126.317 119.914 -0.613 0.000 2.408 41 V HA 0.434 4.554 4.120 0.000 0.000 0.267 41 V C 0.422 176.009 176.094 -0.845 0.000 1.047 41 V CA -0.511 61.466 62.300 -0.538 0.000 0.937 41 V CB 0.611 32.118 31.823 -0.528 0.000 0.999 41 V HN 0.919 nan 8.190 nan 0.000 0.472 42 A N 7.411 129.981 122.820 -0.416 0.000 2.506 42 A HA 0.638 4.958 4.320 0.000 0.000 0.320 42 A C -0.173 177.273 177.584 -0.230 0.000 1.424 42 A CA -0.342 51.554 52.037 -0.235 0.000 1.044 42 A CB -0.231 18.967 19.000 0.331 0.000 1.140 42 A HN 0.812 nan 8.150 nan 0.000 0.538 43 L N 1.961 123.004 121.223 -0.299 0.000 2.439 43 L HA 0.477 4.817 4.340 0.000 0.000 0.259 43 L C 0.537 177.289 176.870 -0.196 0.000 1.129 43 L CA -0.553 54.147 54.840 -0.234 0.000 0.803 43 L CB 1.282 43.199 42.059 -0.236 0.000 1.161 43 L HN 0.742 nan 8.230 nan 0.000 0.462 44 K N 0.471 120.783 120.400 -0.146 0.000 2.579 44 K HA 0.565 4.885 4.320 0.000 0.000 0.250 44 K C -0.290 176.299 176.600 -0.018 0.000 0.952 44 K CA -0.664 55.568 56.287 -0.091 0.000 0.857 44 K CB 1.587 34.002 32.500 -0.142 0.000 1.123 44 K HN 0.604 nan 8.250 nan 0.000 0.433 45 G N 1.543 110.371 108.800 0.047 0.000 2.509 45 G HA2 0.027 3.987 3.960 0.000 0.000 0.269 45 G HA3 0.027 3.987 3.960 0.000 0.000 0.269 45 G C 0.212 175.147 174.900 0.057 0.000 1.416 45 G CA -0.176 44.962 45.100 0.063 0.000 1.052 45 G HN 0.664 nan 8.290 nan 0.000 0.542 46 E N -0.351 119.883 120.200 0.057 0.000 2.042 46 E HA -0.037 4.313 4.350 0.000 0.000 0.189 46 E C 2.360 178.969 176.600 0.014 0.000 0.974 46 E CA 0.749 57.165 56.400 0.028 0.000 0.806 46 E CB -0.027 29.686 29.700 0.022 0.000 0.769 46 E HN 0.503 nan 8.360 nan 0.000 0.451 47 R N -0.561 119.961 120.500 0.037 0.000 2.721 47 R HA 0.288 4.628 4.340 0.000 0.000 0.296 47 R C -0.887 175.300 176.300 -0.189 0.000 1.174 47 R CA -0.040 56.022 56.100 -0.064 0.000 1.129 47 R CB -0.426 29.861 30.300 -0.022 0.000 1.316 47 R HN -0.014 nan 8.270 nan 0.000 0.571 48 F N 0.459 120.438 119.950 0.049 0.000 2.775 48 F HA 0.108 4.635 4.527 0.000 0.000 0.339 48 F C -1.269 174.570 175.800 0.065 0.000 1.159 48 F CA -1.205 56.859 58.000 0.106 0.000 1.145 48 F CB 1.887 40.973 39.000 0.143 0.000 1.408 48 F HN -0.011 nan 8.300 nan 0.000 0.597 49 D N 3.255 123.787 120.400 0.220 0.000 2.460 49 D HA 0.480 5.120 4.640 0.000 0.000 0.232 49 D C 0.573 176.944 176.300 0.119 0.000 1.079 49 D CA -0.090 53.935 54.000 0.042 0.000 0.864 49 D CB 1.778 42.549 40.800 -0.048 0.000 1.048 49 D HN 0.597 nan 8.370 nan 0.000 0.523 50 A N 3.826 126.773 122.820 0.211 0.000 2.277 50 A HA -0.149 4.171 4.320 0.000 0.000 0.208 50 A C 1.290 179.130 177.584 0.428 0.000 1.202 50 A CA 0.726 53.091 52.037 0.548 0.000 0.762 50 A CB -0.542 18.662 19.000 0.339 0.000 0.770 50 A HN 0.606 nan 8.150 nan 0.000 0.487 51 H N 0.500 119.676 119.070 0.176 0.000 2.403 51 H HA -0.052 4.504 4.556 0.000 0.000 0.298 51 H C 1.001 176.337 175.328 0.014 0.000 1.059 51 H CA 1.300 57.415 56.048 0.111 0.000 1.363 51 H CB -0.124 29.664 29.762 0.043 0.000 1.410 51 H HN 0.495 nan 8.280 nan 0.000 0.528 52 D N 0.170 120.539 120.400 -0.052 0.000 2.378 52 D HA -0.097 4.543 4.640 0.000 0.000 0.222 52 D C 0.823 176.886 176.300 -0.394 0.000 0.980 52 D CA 0.542 54.370 54.000 -0.286 0.000 0.907 52 D CB -0.382 40.136 40.800 -0.470 0.000 0.899 52 D HN 0.385 nan 8.370 nan 0.000 0.527 53 F N 0.219 120.247 119.950 0.131 0.000 2.641 53 F HA 0.355 4.882 4.527 0.000 0.000 0.302 53 F C 2.112 177.856 175.800 -0.094 0.000 1.098 53 F CA -0.530 57.492 58.000 0.037 0.000 1.318 53 F CB 0.129 39.176 39.000 0.079 0.000 1.035 53 F HN -0.126 nan 8.300 nan 0.000 0.551 54 A N 0.802 123.690 122.820 0.113 0.000 1.858 54 A HA -0.226 4.094 4.320 0.000 0.000 0.216 54 A C 1.734 179.285 177.584 -0.055 0.000 1.190 54 A CA 2.366 54.430 52.037 0.044 0.000 0.617 54 A CB -0.768 18.296 19.000 0.106 0.000 0.827 54 A HN 0.344 nan 8.150 nan 0.000 0.443 55 D N -0.973 119.412 120.400 -0.025 0.000 2.123 55 D HA -0.170 4.471 4.640 0.000 0.000 0.196 55 D C 2.040 178.308 176.300 -0.054 0.000 0.992 55 D CA 1.638 55.619 54.000 -0.032 0.000 0.833 55 D CB -0.245 40.544 40.800 -0.017 0.000 0.954 55 D HN 0.579 nan 8.370 nan 0.000 0.455 56 Q N 0.706 120.475 119.800 -0.053 0.000 2.050 56 Q HA -0.055 4.285 4.340 0.000 0.000 0.202 56 Q C 1.985 177.887 176.000 -0.163 0.000 0.980 56 Q CA 1.840 57.602 55.803 -0.069 0.000 0.840 56 Q CB -0.484 28.250 28.738 -0.007 0.000 0.898 56 Q HN 0.246 nan 8.270 nan 0.000 0.424 57 A N 0.682 123.304 122.820 -0.330 0.000 1.940 57 A HA -0.241 4.079 4.320 0.000 0.000 0.219 57 A C 2.050 179.509 177.584 -0.208 0.000 1.176 57 A CA 1.848 53.608 52.037 -0.461 0.000 0.631 57 A CB -0.675 17.695 19.000 -1.049 0.000 0.814 57 A HN 0.458 nan 8.150 nan 0.000 0.446 58 K N -0.243 120.074 120.400 -0.138 0.000 2.001 58 K HA -0.041 4.279 4.320 0.000 0.000 0.208 58 K C 2.088 178.657 176.600 -0.051 0.000 1.048 58 K CA 1.266 57.515 56.287 -0.063 0.000 0.932 58 K CB -0.396 32.080 32.500 -0.039 0.000 0.715 58 K HN 0.309 nan 8.250 nan 0.000 0.437 59 A N 0.490 123.277 122.820 -0.055 0.000 2.076 59 A HA -0.062 4.258 4.320 0.000 0.000 0.220 59 A C 2.135 179.695 177.584 -0.040 0.000 1.160 59 A CA 1.720 53.733 52.037 -0.039 0.000 0.653 59 A CB -0.813 18.166 19.000 -0.034 0.000 0.801 59 A HN 0.589 nan 8.150 nan 0.000 0.455 60 G N -2.151 106.613 108.800 -0.060 0.000 2.777 60 G HA2 0.364 4.324 3.960 0.000 0.000 0.211 60 G HA3 0.364 4.324 3.960 0.000 0.000 0.211 60 G C 1.035 175.916 174.900 -0.031 0.000 1.149 60 G CA 0.540 45.610 45.100 -0.050 0.000 0.785 60 G HN 1.636 nan 8.290 nan 0.000 0.536 61 G N -1.320 107.463 108.800 -0.028 0.000 2.143 61 G HA2 0.199 4.159 3.960 0.000 0.000 0.175 61 G HA3 0.199 4.159 3.960 0.000 0.000 0.175 61 G C 0.350 175.252 174.900 0.003 0.000 1.004 61 G CA 0.026 45.121 45.100 -0.009 0.000 0.671 61 G HN 1.204 nan 8.290 nan 0.000 0.512 62 A N 0.466 123.284 122.820 -0.004 0.000 2.492 62 A HA 0.632 4.952 4.320 0.000 0.000 0.254 62 A C 1.706 179.313 177.584 0.039 0.000 1.091 62 A CA 1.307 53.364 52.037 0.032 0.000 0.768 62 A CB 0.548 19.570 19.000 0.035 0.000 1.028 62 A HN 1.503 nan 8.150 nan 0.000 0.498 63 G N 1.448 110.279 108.800 0.051 0.000 2.448 63 G HA2 0.384 4.344 3.960 0.000 0.000 0.218 63 G HA3 0.384 4.344 3.960 0.000 0.000 0.218 63 G C 0.583 175.511 174.900 0.046 0.000 1.135 63 G CA 1.303 46.429 45.100 0.042 0.000 0.784 63 G HN 1.716 nan 8.290 nan 0.000 0.543 64 A N -1.321 121.539 122.820 0.068 0.000 2.586 64 A HA 0.700 5.020 4.320 0.000 0.000 0.290 64 A C -1.779 175.871 177.584 0.110 0.000 1.086 64 A CA -0.702 51.376 52.037 0.068 0.000 0.665 64 A CB 0.577 19.608 19.000 0.050 0.000 1.279 64 A HN 0.235 nan 8.150 nan 0.000 0.423 65 L N 0.655 121.939 121.223 0.102 0.000 2.385 65 L HA 0.583 4.923 4.340 0.000 0.000 0.273 65 L C -1.150 175.772 176.870 0.086 0.000 0.990 65 L CA -0.822 54.105 54.840 0.145 0.000 0.821 65 L CB 1.795 43.953 42.059 0.164 0.000 1.279 65 L HN 0.625 nan 8.230 nan 0.000 0.412 66 L N 4.702 125.966 121.223 0.068 0.000 2.255 66 L HA 0.699 5.039 4.340 0.000 0.000 0.289 66 L C -0.625 176.276 176.870 0.051 0.000 1.046 66 L CA -0.022 54.841 54.840 0.038 0.000 0.816 66 L CB 1.337 43.409 42.059 0.023 0.000 1.197 66 L HN 0.437 nan 8.230 nan 0.000 0.427 67 V N 4.063 124.006 119.914 0.047 0.000 3.114 67 V HA 0.562 4.682 4.120 0.000 0.000 0.308 67 V C 0.449 176.551 176.094 0.014 0.000 1.168 67 V CA 0.202 62.534 62.300 0.055 0.000 1.015 67 V CB 2.666 34.438 31.823 -0.085 0.000 1.050 67 V HN 0.856 nan 8.190 nan 0.000 0.433 68 S N 3.717 119.444 115.700 0.045 0.000 2.634 68 S HA 0.398 4.868 4.470 0.000 0.000 0.221 68 S C 0.260 174.840 174.600 -0.033 0.000 0.952 68 S CA 0.044 58.273 58.200 0.047 0.000 0.930 68 S CB -0.389 62.899 63.200 0.146 0.000 0.780 68 S HN 1.096 nan 8.310 nan 0.000 0.498 69 R N -1.660 118.752 120.500 -0.147 0.000 2.709 69 R HA 0.520 4.860 4.340 0.000 0.000 0.270 69 R C -3.773 172.438 176.300 -0.150 0.000 1.038 69 R CA -1.698 54.326 56.100 -0.128 0.000 0.872 69 R CB -0.515 29.716 30.300 -0.115 0.000 1.259 69 R HN -0.059 nan 8.270 nan 0.000 0.473 70 P HA 0.231 nan 4.420 nan 0.000 0.271 70 P C -0.937 176.315 177.300 -0.080 0.000 1.216 70 P CA -0.202 62.855 63.100 -0.071 0.000 0.771 70 P CB 0.592 32.266 31.700 -0.045 0.000 0.864 71 L N 2.329 123.513 121.223 -0.066 0.000 2.370 71 L HA 0.395 4.735 4.340 0.000 0.000 0.266 71 L C -0.181 176.672 176.870 -0.030 0.000 1.002 71 L CA -0.788 54.020 54.840 -0.053 0.000 0.818 71 L CB 1.839 43.866 42.059 -0.053 0.000 1.325 71 L HN 0.179 nan 8.230 nan 0.000 0.418 72 D N 3.344 123.730 120.400 -0.024 0.000 2.688 72 D HA 0.279 4.919 4.640 0.000 0.000 0.228 72 D C -0.563 175.730 176.300 -0.012 0.000 1.116 72 D CA 0.326 54.317 54.000 -0.016 0.000 1.023 72 D CB -0.029 40.761 40.800 -0.016 0.000 1.100 72 D HN 0.099 nan 8.370 nan 0.000 0.487 73 I N 0.867 121.432 120.570 -0.009 0.000 2.447 73 I HA 0.119 4.289 4.170 0.000 0.000 0.287 73 I C 0.075 176.191 176.117 -0.002 0.000 1.023 73 I CA -0.835 60.463 61.300 -0.004 0.000 1.083 73 I CB 1.750 39.752 38.000 0.004 0.000 1.245 73 I HN -0.013 nan 8.210 nan 0.000 0.434 74 D N 7.448 127.847 120.400 -0.003 0.000 2.598 74 D HA 0.332 4.972 4.640 0.000 0.000 0.231 74 D C -0.749 175.552 176.300 0.003 0.000 1.127 74 D CA 0.744 54.743 54.000 -0.001 0.000 1.126 74 D CB -0.130 40.669 40.800 -0.002 0.000 1.124 74 D HN 0.380 nan 8.370 nan 0.000 0.485 75 L N 2.321 123.548 121.223 0.007 0.000 2.513 75 L HA 0.368 4.708 4.340 0.000 0.000 0.261 75 L C -2.353 174.527 176.870 0.015 0.000 0.945 75 L CA -2.189 52.659 54.840 0.014 0.000 0.848 75 L CB 2.577 44.650 42.059 0.023 0.000 1.334 75 L HN 0.023 nan 8.230 nan 0.000 0.407 76 P HA 0.051 nan 4.420 nan 0.000 0.261 76 P C -1.335 175.976 177.300 0.018 0.000 1.183 76 P CA 0.268 63.376 63.100 0.013 0.000 0.761 76 P CB 0.399 32.107 31.700 0.013 0.000 0.785 77 Q N 1.928 121.733 119.800 0.010 0.000 2.345 77 Q HA 0.584 4.924 4.340 0.000 0.000 0.268 77 Q C -0.803 175.198 176.000 0.003 0.000 1.054 77 Q CA -0.861 54.948 55.803 0.010 0.000 0.835 77 Q CB 2.107 30.844 28.738 -0.001 0.000 1.339 77 Q HN 0.360 nan 8.270 nan 0.000 0.447 78 L N 3.296 124.523 121.223 0.006 0.000 2.366 78 L HA 0.400 4.740 4.340 0.000 0.000 0.266 78 L C -1.357 175.513 176.870 0.000 0.000 1.010 78 L CA -0.665 54.175 54.840 0.001 0.000 0.879 78 L CB 0.836 42.897 42.059 0.003 0.000 1.228 78 L HN 0.561 nan 8.230 nan 0.000 0.439 79 I N 5.128 125.694 120.570 -0.008 0.000 2.363 79 I HA 0.185 4.355 4.170 0.000 0.000 0.292 79 I C 0.276 176.392 176.117 -0.001 0.000 1.075 79 I CA 0.042 61.336 61.300 -0.011 0.000 1.333 79 I CB 1.048 39.036 38.000 -0.020 0.000 1.415 79 I HN 0.220 nan 8.210 nan 0.000 0.502 80 V N 3.454 123.374 119.914 0.010 0.000 2.919 80 V HA 0.538 4.658 4.120 0.000 0.000 0.316 80 V C 1.037 177.143 176.094 0.020 0.000 1.077 80 V CA -0.873 61.438 62.300 0.017 0.000 0.977 80 V CB 1.895 33.735 31.823 0.030 0.000 1.039 80 V HN 0.754 nan 8.190 nan 0.000 0.441 81 K N 0.367 120.777 120.400 0.017 0.000 2.057 81 K HA -0.086 4.234 4.320 0.000 0.000 0.207 81 K C 0.343 176.954 176.600 0.018 0.000 1.049 81 K CA 1.917 58.212 56.287 0.014 0.000 0.931 81 K CB 0.106 32.611 32.500 0.008 0.000 0.714 81 K HN 0.943 nan 8.250 nan 0.000 0.440 82 D N -0.838 119.574 120.400 0.019 0.000 2.855 82 D HA 0.041 4.681 4.640 0.000 0.000 0.241 82 D C 0.245 176.564 176.300 0.031 0.000 1.277 82 D CA -0.163 53.845 54.000 0.013 0.000 0.918 82 D CB 2.077 42.864 40.800 -0.021 0.000 1.462 82 D HN 0.186 nan 8.370 nan 0.000 0.559 83 T N 1.740 116.317 114.554 0.038 0.000 2.942 83 T HA -0.095 4.255 4.350 0.000 0.000 0.265 83 T C 1.770 176.512 174.700 0.070 0.000 1.062 83 T CA 0.531 62.660 62.100 0.048 0.000 1.139 83 T CB 0.278 69.162 68.868 0.026 0.000 0.883 83 T HN 0.239 nan 8.240 nan 0.000 0.468 84 R N 1.113 121.635 120.500 0.036 0.000 2.083 84 R HA 0.062 4.402 4.340 0.000 0.000 0.237 84 R C 2.288 178.658 176.300 0.116 0.000 1.137 84 R CA 1.193 57.331 56.100 0.064 0.000 0.951 84 R CB -1.083 29.201 30.300 -0.026 0.000 0.851 84 R HN 0.302 nan 8.270 nan 0.000 0.434 85 L N 0.065 121.297 121.223 0.015 0.000 2.005 85 L HA -0.024 4.316 4.340 0.000 0.000 0.207 85 L C 2.396 179.397 176.870 0.219 0.000 1.072 85 L CA 2.100 56.955 54.840 0.026 0.000 0.744 85 L CB -1.578 40.434 42.059 -0.079 0.000 0.895 85 L HN 0.402 nan 8.230 nan 0.000 0.433 86 A N -0.589 122.330 122.820 0.164 0.000 1.940 86 A HA -0.286 4.034 4.320 0.000 0.000 0.219 86 A C 2.183 179.911 177.584 0.240 0.000 1.176 86 A CA 1.570 53.710 52.037 0.172 0.000 0.631 86 A CB -0.819 18.251 19.000 0.117 0.000 0.814 86 A HN 0.373 nan 8.150 nan 0.000 0.446 87 F N 1.098 121.102 119.950 0.089 0.000 2.102 87 F HA -0.002 4.525 4.527 0.000 0.000 0.298 87 F C 2.344 178.225 175.800 0.136 0.000 1.105 87 F CA 1.282 59.331 58.000 0.081 0.000 1.239 87 F CB -0.973 38.057 39.000 0.049 0.000 0.991 87 F HN 0.190 nan 8.300 nan 0.000 0.474 88 G N -0.448 108.485 108.800 0.220 0.000 2.421 88 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 88 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 88 G C 1.576 176.533 174.900 0.095 0.000 1.171 88 G CA 0.837 46.041 45.100 0.174 0.000 0.775 88 G HN 0.440 nan 8.290 nan 0.000 0.543 89 E N -0.348 119.986 120.200 0.225 0.000 2.085 89 E HA -0.121 4.229 4.350 0.000 0.000 0.194 89 E C 2.347 179.019 176.600 0.120 0.000 0.994 89 E CA 0.829 57.322 56.400 0.155 0.000 0.801 89 E CB -0.188 29.627 29.700 0.192 0.000 0.743 89 E HN 0.337 nan 8.360 nan 0.000 0.453 90 L N 0.768 122.055 121.223 0.107 0.000 2.083 90 L HA -0.102 4.238 4.340 0.000 0.000 0.209 90 L C 2.081 179.028 176.870 0.128 0.000 1.083 90 L CA 2.026 56.941 54.840 0.125 0.000 0.752 90 L CB -0.682 41.442 42.059 0.109 0.000 0.899 90 L HN 0.045 nan 8.230 nan 0.000 0.433 91 A N -0.506 122.296 122.820 -0.030 0.000 1.930 91 A HA 0.008 4.328 4.320 0.000 0.000 0.217 91 A C 2.463 180.009 177.584 -0.063 0.000 1.175 91 A CA 1.571 53.547 52.037 -0.103 0.000 0.627 91 A CB -1.061 17.779 19.000 -0.266 0.000 0.815 91 A HN 0.574 nan 8.150 nan 0.000 0.443 92 A N -1.161 121.628 122.820 -0.053 0.000 1.865 92 A HA -0.188 4.132 4.320 0.000 0.000 0.217 92 A C 2.002 179.583 177.584 -0.005 0.000 1.191 92 A CA 1.648 53.644 52.037 -0.068 0.000 0.623 92 A CB -1.073 17.882 19.000 -0.076 0.000 0.826 92 A HN 0.841 nan 8.150 nan 0.000 0.444 93 W N 0.792 122.051 121.300 -0.069 0.000 2.333 93 W HA -0.226 4.434 4.660 0.000 0.000 0.316 93 W C 2.082 178.576 176.519 -0.042 0.000 1.215 93 W CA 2.690 60.009 57.345 -0.043 0.000 1.278 93 W CB -0.533 28.914 29.460 -0.022 0.000 1.154 93 W HN 0.120 nan 8.180 nan 0.000 0.486 94 V N 1.864 121.795 119.914 0.028 0.000 2.332 94 V HA -0.350 3.770 4.120 0.000 0.000 0.248 94 V C 2.729 178.671 176.094 -0.254 0.000 1.055 94 V CA 2.345 64.546 62.300 -0.166 0.000 1.038 94 V CB -1.179 30.664 31.823 0.033 0.000 0.651 94 V HN 0.255 nan 8.190 nan 0.000 0.450 95 R N 0.167 120.562 120.500 -0.175 0.000 2.127 95 R HA -0.178 4.162 4.340 0.000 0.000 0.238 95 R C 2.150 178.326 176.300 -0.207 0.000 1.134 95 R CA 1.586 57.587 56.100 -0.164 0.000 0.975 95 R CB -0.310 29.909 30.300 -0.136 0.000 0.865 95 R HN 0.515 nan 8.270 nan 0.000 0.447 96 Q N 0.164 119.800 119.800 -0.273 0.000 2.230 96 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 96 Q C 1.837 177.640 176.000 -0.329 0.000 0.963 96 Q CA 0.923 56.561 55.803 -0.275 0.000 0.866 96 Q CB 0.029 28.600 28.738 -0.278 0.000 0.931 96 Q HN 0.407 nan 8.270 nan 0.000 0.452 97 Q N 0.209 119.727 119.800 -0.470 0.000 2.378 97 Q HA 0.032 4.372 4.340 0.000 0.000 0.205 97 Q C 1.096 176.948 176.000 -0.247 0.000 0.954 97 Q CA 0.226 55.768 55.803 -0.435 0.000 0.901 97 Q CB -0.116 28.218 28.738 -0.672 0.000 0.981 97 Q HN 0.310 nan 8.270 nan 0.000 0.483 98 V N -1.263 118.535 119.914 -0.194 0.000 2.834 98 V HA 0.427 4.547 4.120 0.000 0.000 0.313 98 V C -1.869 174.163 176.094 -0.102 0.000 1.060 98 V CA -1.735 60.493 62.300 -0.119 0.000 0.989 98 V CB 1.555 33.334 31.823 -0.073 0.000 1.041 98 V HN -0.102 nan 8.190 nan 0.000 0.459 99 P HA 0.256 nan 4.420 nan 0.000 0.255 99 P C 0.513 177.757 177.300 -0.094 0.000 1.248 99 P CA 0.249 63.298 63.100 -0.085 0.000 0.807 99 P CB 0.121 31.773 31.700 -0.082 0.000 1.150 100 A N 1.726 124.499 122.820 -0.078 0.000 2.540 100 A HA 0.122 4.442 4.320 0.000 0.000 0.239 100 A C 0.577 178.111 177.584 -0.082 0.000 1.061 100 A CA -0.109 51.876 52.037 -0.086 0.000 0.758 100 A CB 0.015 19.002 19.000 -0.022 0.000 0.991 100 A HN -0.001 nan 8.150 nan 0.000 0.502 101 R N 2.265 122.703 120.500 -0.103 0.000 2.291 101 R HA 0.225 4.565 4.340 0.000 0.000 0.333 101 R C -0.682 175.655 176.300 0.062 0.000 1.082 101 R CA -0.117 55.988 56.100 0.009 0.000 0.948 101 R CB -0.227 30.154 30.300 0.137 0.000 1.009 101 R HN 0.401 nan 8.270 nan 0.000 0.460 102 V N 4.024 123.945 119.914 0.013 0.000 2.439 102 V HA 0.337 4.457 4.120 0.000 0.000 0.282 102 V C 0.364 176.460 176.094 0.003 0.000 1.039 102 V CA -0.602 61.697 62.300 -0.002 0.000 0.913 102 V CB 1.889 33.687 31.823 -0.043 0.000 0.983 102 V HN 0.364 nan 8.190 nan 0.000 0.460 103 V N 3.710 123.626 119.914 0.003 0.000 2.876 103 V HA 0.948 5.068 4.120 0.000 0.000 0.312 103 V C -0.093 175.984 176.094 -0.028 0.000 1.085 103 V CA -0.198 62.099 62.300 -0.005 0.000 0.945 103 V CB 2.261 34.091 31.823 0.010 0.000 1.017 103 V HN 1.071 nan 8.190 nan 0.000 0.428 104 A N 4.636 127.433 122.820 -0.038 0.000 2.479 104 A HA 1.058 5.378 4.320 0.000 0.000 0.296 104 A C -1.364 176.182 177.584 -0.063 0.000 1.121 104 A CA -0.605 51.398 52.037 -0.058 0.000 0.743 104 A CB 1.944 20.897 19.000 -0.079 0.000 1.323 104 A HN 1.498 nan 8.150 nan 0.000 0.415 105 L N -2.190 118.989 121.223 -0.074 0.000 2.518 105 L HA 0.984 5.324 4.340 0.000 0.000 0.257 105 L C -0.569 176.250 176.870 -0.084 0.000 0.980 105 L CA -0.426 54.368 54.840 -0.076 0.000 0.837 105 L CB 1.898 43.922 42.059 -0.059 0.000 1.410 105 L HN 0.673 nan 8.230 nan 0.000 0.410 106 T N -0.654 113.847 114.554 -0.088 0.000 2.647 106 T HA 0.999 5.349 4.350 0.000 0.000 0.295 106 T C -0.296 174.387 174.700 -0.028 0.000 1.126 106 T CA -0.498 61.556 62.100 -0.076 0.000 1.040 106 T CB 1.573 70.364 68.868 -0.128 0.000 1.472 106 T HN 1.472 nan 8.240 nan 0.000 0.500 107 G N -0.167 108.629 108.800 -0.007 0.000 2.368 107 G HA2 0.351 4.311 3.960 0.000 0.000 0.302 107 G HA3 0.351 4.311 3.960 0.000 0.000 0.302 107 G C 0.170 175.096 174.900 0.043 0.000 1.329 107 G CA 0.114 45.242 45.100 0.047 0.000 0.935 107 G HN 0.560 nan 8.290 nan 0.000 0.590 108 S N -0.995 114.743 115.700 0.063 0.000 2.475 108 S HA 0.441 4.911 4.470 0.000 0.000 0.224 108 S C 1.088 175.710 174.600 0.038 0.000 1.042 108 S CA 1.218 59.447 58.200 0.048 0.000 0.935 108 S CB 0.054 63.288 63.200 0.058 0.000 0.801 108 S HN 1.767 nan 8.310 nan 0.000 0.509 109 S N -1.212 114.516 115.700 0.047 0.000 2.564 109 S HA 0.608 5.078 4.470 0.000 0.000 0.274 109 S C 0.401 175.030 174.600 0.048 0.000 1.124 109 S CA 0.143 58.366 58.200 0.039 0.000 0.869 109 S CB 1.452 64.672 63.200 0.034 0.000 1.105 109 S HN 0.770 nan 8.310 nan 0.000 0.472 110 G N 2.105 110.928 108.800 0.037 0.000 2.159 110 G HA2 -0.276 3.684 3.960 0.000 0.000 0.256 110 G HA3 -0.276 3.684 3.960 0.000 0.000 0.256 110 G C 0.707 175.615 174.900 0.013 0.000 0.977 110 G CA 0.616 45.738 45.100 0.037 0.000 0.652 110 G HN 0.787 nan 8.290 nan 0.000 0.531 111 K N -0.332 120.073 120.400 0.008 0.000 2.063 111 K HA -0.097 4.223 4.320 0.000 0.000 0.208 111 K C 2.601 179.191 176.600 -0.016 0.000 1.048 111 K CA 1.923 58.205 56.287 -0.007 0.000 0.928 111 K CB -0.332 32.164 32.500 -0.008 0.000 0.713 111 K HN 0.431 nan 8.250 nan 0.000 0.442 112 T N 0.746 115.294 114.554 -0.009 0.000 2.821 112 T HA -0.108 4.242 4.350 0.000 0.000 0.267 112 T C 2.144 176.826 174.700 -0.029 0.000 1.046 112 T CA 1.670 63.764 62.100 -0.011 0.000 1.139 112 T CB -0.166 68.700 68.868 -0.004 0.000 0.871 112 T HN 0.315 nan 8.240 nan 0.000 0.454 113 S N 1.301 116.986 115.700 -0.025 0.000 2.395 113 S HA -0.004 4.466 4.470 0.000 0.000 0.225 113 S C 2.203 176.761 174.600 -0.070 0.000 1.027 113 S CA 0.426 58.603 58.200 -0.039 0.000 0.965 113 S CB -0.732 62.461 63.200 -0.012 0.000 0.812 113 S HN 0.307 nan 8.310 nan 0.000 0.482 114 V N 2.784 122.656 119.914 -0.070 0.000 2.427 114 V HA -0.130 3.990 4.120 0.000 0.000 0.248 114 V C 2.675 178.697 176.094 -0.121 0.000 1.051 114 V CA 1.944 64.178 62.300 -0.110 0.000 1.048 114 V CB -0.733 31.020 31.823 -0.118 0.000 0.666 114 V HN 0.546 nan 8.190 nan 0.000 0.456 115 K N 0.649 120.991 120.400 -0.097 0.000 1.991 115 K HA -0.172 4.148 4.320 0.000 0.000 0.212 115 K C 1.088 177.573 176.600 -0.192 0.000 1.049 115 K CA 1.317 57.542 56.287 -0.103 0.000 0.932 115 K CB -0.105 32.370 32.500 -0.042 0.000 0.717 115 K HN 0.583 nan 8.250 nan 0.000 0.441 119 A N 1.661 124.332 122.820 -0.249 0.000 1.902 119 A HA 0.350 4.670 4.320 0.000 0.000 0.217 119 A C 2.464 179.909 177.584 -0.232 0.000 1.181 119 A CA 2.324 54.190 52.037 -0.284 0.000 0.623 119 A CB -1.057 17.546 19.000 -0.661 0.000 0.818 119 A HN 0.697 nan 8.150 nan 0.000 0.443 120 A N -0.125 122.550 122.820 -0.241 0.000 1.940 120 A HA -0.091 4.229 4.320 0.000 0.000 0.219 120 A C 2.112 179.625 177.584 -0.119 0.000 1.176 120 A CA 1.612 53.554 52.037 -0.158 0.000 0.631 120 A CB -0.560 18.354 19.000 -0.144 0.000 0.814 120 A HN 0.526 nan 8.150 nan 0.000 0.446 121 I N -0.714 119.774 120.570 -0.137 0.000 2.277 121 I HA -0.175 3.995 4.170 0.000 0.000 0.243 121 I C 2.203 178.226 176.117 -0.156 0.000 1.094 121 I CA 0.897 62.119 61.300 -0.130 0.000 1.393 121 I CB -0.348 37.571 38.000 -0.135 0.000 1.078 121 I HN 0.227 nan 8.210 nan 0.000 0.417 122 L N 0.073 121.168 121.223 -0.214 0.000 2.265 122 L HA -0.157 4.183 4.340 0.000 0.000 0.215 122 L C 2.529 179.307 176.870 -0.154 0.000 1.117 122 L CA 0.801 55.434 54.840 -0.344 0.000 0.782 122 L CB -0.518 41.246 42.059 -0.492 0.000 0.914 122 L HN 0.169 nan 8.230 nan 0.000 0.441 123 S N -0.740 114.926 115.700 -0.057 0.000 2.442 123 S HA -0.144 4.326 4.470 0.000 0.000 0.236 123 S C 1.904 176.520 174.600 0.027 0.000 1.007 123 S CA 0.865 59.082 58.200 0.029 0.000 0.965 123 S CB -0.076 63.138 63.200 0.024 0.000 0.773 123 S HN 0.442 nan 8.310 nan 0.000 0.504 124 Q N -0.272 119.519 119.800 -0.016 0.000 2.311 124 Q HA 0.091 4.431 4.340 0.000 0.000 0.203 124 Q C 2.111 178.120 176.000 0.016 0.000 0.954 124 Q CA 0.622 56.420 55.803 -0.007 0.000 0.885 124 Q CB -0.417 28.301 28.738 -0.034 0.000 0.963 124 Q HN 0.582 nan 8.270 nan 0.000 0.471 125 C N -0.808 118.504 119.300 0.020 0.000 2.518 125 C HA 0.446 4.906 4.460 0.000 0.000 0.283 125 C C 1.379 176.516 174.990 0.246 0.000 1.351 125 C CA 0.436 59.514 59.018 0.100 0.000 1.745 125 C CB -0.097 27.643 27.740 -0.001 0.000 2.107 125 C HN 0.549 nan 8.230 nan 0.000 0.502 126 G N -0.253 108.724 108.800 0.296 0.000 2.342 126 G HA2 0.247 4.207 3.960 0.000 0.000 0.297 126 G HA3 0.247 4.207 3.960 0.000 0.000 0.297 126 G C -1.601 173.459 174.900 0.266 0.000 1.313 126 G CA -0.509 44.748 45.100 0.263 0.000 0.830 126 G HN -0.012 nan 8.290 nan 0.000 0.506 127 N N 0.818 119.633 118.700 0.191 0.000 2.417 127 N HA 0.315 5.055 4.740 0.000 0.000 0.272 127 N C 0.046 175.781 175.510 0.374 0.000 1.304 127 N CA 0.870 54.056 53.050 0.227 0.000 0.906 127 N CB 0.598 39.156 38.487 0.118 0.000 1.135 127 N HN 0.785 nan 8.380 nan 0.000 0.483 128 T N 2.803 117.566 114.554 0.349 0.000 2.863 128 T HA 0.516 4.866 4.350 0.000 0.000 0.285 128 T C -0.487 174.282 174.700 0.116 0.000 1.009 128 T CA -0.982 61.285 62.100 0.278 0.000 0.989 128 T CB 0.878 69.899 68.868 0.256 0.000 1.004 128 T HN 0.392 nan 8.240 nan 0.000 0.455 129 L N 5.697 126.800 121.223 -0.199 0.000 2.329 129 L HA 0.843 5.183 4.340 0.000 0.000 0.279 129 L C -1.540 175.269 176.870 -0.102 0.000 1.014 129 L CA -1.094 53.486 54.840 -0.433 0.000 0.814 129 L CB 1.115 42.520 42.059 -1.089 0.000 1.257 129 L HN 0.910 nan 8.230 nan 0.000 0.424 130 Y N 0.402 120.600 120.300 -0.170 0.000 2.581 130 Y HA 0.612 5.162 4.550 0.000 0.000 0.345 130 Y C -0.129 175.713 175.900 -0.097 0.000 1.036 130 Y CA -1.217 56.814 58.100 -0.115 0.000 1.042 130 Y CB 0.735 39.148 38.460 -0.078 0.000 1.289 130 Y HN 0.479 nan 8.280 nan 0.000 0.471 131 T N 2.250 116.822 114.554 0.031 0.000 2.934 131 T HA 0.368 4.718 4.350 0.000 0.000 0.306 131 T C 0.193 174.863 174.700 -0.050 0.000 1.042 131 T CA 0.525 62.606 62.100 -0.031 0.000 1.145 131 T CB 0.127 69.001 68.868 0.010 0.000 0.982 131 T HN 0.834 nan 8.240 nan 0.000 0.544 132 A N 3.251 126.011 122.820 -0.098 0.000 2.289 132 A HA 0.695 5.015 4.320 0.000 0.000 0.298 132 A C 1.234 178.804 177.584 -0.025 0.000 1.208 132 A CA 0.084 52.067 52.037 -0.090 0.000 0.845 132 A CB -0.276 18.659 19.000 -0.109 0.000 1.125 132 A HN 1.366 nan 8.150 nan 0.000 0.517 133 G N 2.842 111.644 108.800 0.004 0.000 2.622 133 G HA2 -0.337 3.623 3.960 0.000 0.000 0.307 133 G HA3 -0.337 3.623 3.960 0.000 0.000 0.307 133 G C 0.155 175.061 174.900 0.009 0.000 1.226 133 G CA 0.898 46.003 45.100 0.007 0.000 0.997 133 G HN 1.048 nan 8.290 nan 0.000 0.551 134 N N 0.416 119.117 118.700 0.001 0.000 2.598 134 N HA 0.477 5.217 4.740 0.000 0.000 0.309 134 N C -0.193 175.317 175.510 0.000 0.000 1.645 134 N CA -0.173 52.877 53.050 0.001 0.000 0.936 134 N CB 0.596 39.082 38.487 -0.002 0.000 1.323 134 N HN 0.396 nan 8.380 nan 0.000 0.497 135 L N 1.732 122.954 121.223 -0.001 0.000 2.399 135 L HA 0.234 4.574 4.340 0.000 0.000 0.257 135 L C 0.333 177.202 176.870 -0.001 0.000 1.236 135 L CA -0.269 54.573 54.840 0.003 0.000 1.144 135 L CB -0.326 41.733 42.059 -0.001 0.000 1.379 135 L HN 0.368 nan 8.230 nan 0.000 0.414 136 N N -0.087 118.613 118.700 0.001 0.000 2.197 136 N HA -0.001 4.739 4.740 0.000 0.000 0.228 136 N C 0.058 175.570 175.510 0.004 0.000 1.212 136 N CA -0.605 52.441 53.050 -0.007 0.000 0.883 136 N CB 0.019 38.497 38.487 -0.015 0.000 1.107 136 N HN 0.546 nan 8.380 nan 0.000 0.519 137 N N 0.039 118.753 118.700 0.025 0.000 2.593 137 N HA 0.103 4.843 4.740 0.000 0.000 0.304 137 N C -0.008 175.561 175.510 0.097 0.000 1.296 137 N CA -0.420 52.659 53.050 0.049 0.000 0.950 137 N CB 0.490 39.002 38.487 0.041 0.000 1.127 137 N HN -0.099 nan 8.380 nan 0.000 0.587 138 D N -0.570 119.918 120.400 0.147 0.000 2.309 138 D HA -0.126 4.514 4.640 0.000 0.000 0.212 138 D C 1.359 177.802 176.300 0.239 0.000 0.968 138 D CA 0.991 55.140 54.000 0.248 0.000 0.882 138 D CB -0.065 40.871 40.800 0.226 0.000 0.918 138 D HN 0.453 nan 8.370 nan 0.000 0.503 139 I N 0.476 121.160 120.570 0.189 0.000 3.039 139 I HA 0.178 4.348 4.170 0.000 0.000 0.270 139 I C 2.510 178.756 176.117 0.215 0.000 1.150 139 I CA 0.861 62.318 61.300 0.263 0.000 1.448 139 I CB -1.289 36.816 38.000 0.175 0.000 1.197 139 I HN 0.177 nan 8.210 nan 0.000 0.450 140 G N 1.018 109.886 108.800 0.114 0.000 2.408 140 G HA2 -0.103 3.857 3.960 0.000 0.000 0.217 140 G HA3 -0.103 3.857 3.960 0.000 0.000 0.217 140 G C 1.797 176.706 174.900 0.015 0.000 1.150 140 G CA 0.834 45.972 45.100 0.063 0.000 0.776 140 G HN 0.209 nan 8.290 nan 0.000 0.542 141 V N 1.592 121.506 119.914 0.000 0.000 2.270 141 V HA -0.018 4.102 4.120 0.000 0.000 0.245 141 V C -0.610 175.413 176.094 -0.118 0.000 1.043 141 V CA 1.055 63.321 62.300 -0.057 0.000 1.014 141 V CB -1.018 30.767 31.823 -0.062 0.000 0.645 141 V HN 0.224 nan 8.190 nan 0.000 0.447 145 L N 1.527 122.679 121.223 -0.119 0.000 2.083 145 L HA 0.007 4.347 4.340 0.000 0.000 0.209 145 L C 2.114 178.929 176.870 -0.092 0.000 1.083 145 L CA 0.940 55.708 54.840 -0.120 0.000 0.752 145 L CB -0.414 41.558 42.059 -0.145 0.000 0.899 145 L HN 0.210 nan 8.230 nan 0.000 0.433 146 L N -0.006 121.159 121.223 -0.096 0.000 2.450 146 L HA -0.146 4.194 4.340 0.000 0.000 0.224 146 L C 2.346 179.223 176.870 0.010 0.000 1.149 146 L CA 1.512 56.329 54.840 -0.039 0.000 0.816 146 L CB -0.963 41.071 42.059 -0.042 0.000 0.932 146 L HN 0.207 nan 8.230 nan 0.000 0.449 147 R N -1.509 118.990 120.500 -0.002 0.000 2.313 147 R HA 0.106 4.446 4.340 0.000 0.000 0.199 147 R C 0.445 176.808 176.300 0.105 0.000 0.958 147 R CA -0.260 55.864 56.100 0.040 0.000 1.047 147 R CB 0.027 30.327 30.300 -0.000 0.000 0.955 147 R HN 0.223 nan 8.270 nan 0.000 0.481 148 L N 1.172 122.433 121.223 0.064 0.000 2.461 148 L HA 0.093 4.433 4.340 0.000 0.000 0.272 148 L C 0.667 177.627 176.870 0.151 0.000 1.197 148 L CA 0.385 55.306 54.840 0.135 0.000 0.836 148 L CB 0.865 42.938 42.059 0.024 0.000 1.105 148 L HN 0.162 nan 8.230 nan 0.000 0.477 149 T N -1.551 113.124 114.554 0.202 0.000 2.843 149 T HA 0.376 4.726 4.350 0.000 0.000 0.302 149 T C -2.420 172.279 174.700 -0.001 0.000 1.232 149 T CA -1.531 60.592 62.100 0.040 0.000 1.009 149 T CB 1.829 70.663 68.868 -0.058 0.000 1.254 149 T HN 0.196 nan 8.240 nan 0.000 0.504 150 P HA 0.068 nan 4.420 nan 0.000 0.225 150 P C 0.932 178.182 177.300 -0.082 0.000 1.148 150 P CA 0.686 63.750 63.100 -0.059 0.000 0.779 150 P CB 0.101 31.765 31.700 -0.060 0.000 0.780 151 E N -2.135 117.979 120.200 -0.144 0.000 2.358 151 E HA -0.045 4.305 4.350 0.000 0.000 0.195 151 E C 0.057 176.522 176.600 -0.224 0.000 1.010 151 E CA 0.394 56.671 56.400 -0.206 0.000 0.856 151 E CB -0.584 28.945 29.700 -0.284 0.000 0.795 151 E HN 0.301 nan 8.360 nan 0.000 0.504 152 Y N 0.825 121.094 120.300 -0.052 0.000 2.346 152 Y HA 0.049 4.599 4.550 0.000 0.000 0.330 152 Y C 1.276 177.111 175.900 -0.109 0.000 1.178 152 Y CA -0.243 57.826 58.100 -0.051 0.000 1.331 152 Y CB 0.822 39.260 38.460 -0.036 0.000 1.253 152 Y HN -0.060 nan 8.280 nan 0.000 0.529 153 D N 1.302 121.742 120.400 0.066 0.000 2.324 153 D HA 0.003 4.643 4.640 0.000 0.000 0.212 153 D C -0.542 175.420 176.300 -0.563 0.000 0.984 153 D CA 1.055 54.886 54.000 -0.282 0.000 0.885 153 D CB 0.395 40.999 40.800 -0.327 0.000 0.996 153 D HN 0.430 nan 8.370 nan 0.000 0.505 154 Y N -0.546 119.802 120.300 0.080 0.000 2.609 154 Y HA 0.590 5.140 4.550 0.000 0.000 0.342 154 Y C -0.647 175.237 175.900 -0.027 0.000 1.058 154 Y CA -1.338 56.776 58.100 0.022 0.000 1.055 154 Y CB 2.274 40.746 38.460 0.021 0.000 1.292 154 Y HN -0.225 nan 8.280 nan 0.000 0.476 155 A N 1.010 123.901 122.820 0.118 0.000 2.456 155 A HA 0.665 4.985 4.320 0.000 0.000 0.288 155 A C -2.035 175.555 177.584 0.011 0.000 1.042 155 A CA -0.589 51.442 52.037 -0.010 0.000 0.738 155 A CB 0.779 19.730 19.000 -0.080 0.000 1.266 155 A HN 0.451 nan 8.150 nan 0.000 0.407 156 V N 4.635 124.559 119.914 0.018 0.000 2.304 156 V HA 0.290 4.410 4.120 0.000 0.000 0.269 156 V C -0.413 175.684 176.094 0.005 0.000 1.036 156 V CA -0.404 61.905 62.300 0.014 0.000 0.840 156 V CB 0.667 32.502 31.823 0.020 0.000 1.036 156 V HN 0.674 nan 8.190 nan 0.000 0.466 157 I N 4.177 124.730 120.570 -0.028 0.000 2.297 157 I HA 0.338 4.508 4.170 0.000 0.000 0.291 157 I C 0.545 176.636 176.117 -0.043 0.000 1.033 157 I CA -0.271 61.004 61.300 -0.043 0.000 1.253 157 I CB 1.008 38.967 38.000 -0.068 0.000 1.396 157 I HN 0.710 nan 8.210 nan 0.000 0.476 158 E N 7.540 127.723 120.200 -0.029 0.000 2.259 158 E HA 0.450 4.800 4.350 0.000 0.000 0.281 158 E C -1.425 175.150 176.600 -0.042 0.000 1.027 158 E CA -0.488 55.893 56.400 -0.032 0.000 0.838 158 E CB 1.017 30.710 29.700 -0.012 0.000 1.066 158 E HN 0.521 nan 8.360 nan 0.000 0.401 159 L N 4.034 125.224 121.223 -0.055 0.000 2.341 159 L HA 0.592 4.932 4.340 0.000 0.000 0.278 159 L C 0.395 177.235 176.870 -0.051 0.000 1.005 159 L CA -0.863 53.941 54.840 -0.059 0.000 0.818 159 L CB 1.926 43.934 42.059 -0.085 0.000 1.259 159 L HN 0.666 nan 8.230 nan 0.000 0.418 160 G N 1.651 110.428 108.800 -0.037 0.000 2.568 160 G HA2 0.866 4.826 3.960 0.000 0.000 0.313 160 G HA3 0.866 4.826 3.960 0.000 0.000 0.313 160 G C -1.495 173.381 174.900 -0.041 0.000 1.227 160 G CA -0.491 44.587 45.100 -0.036 0.000 0.979 160 G HN 0.759 nan 8.290 nan 0.000 0.486 161 A N -0.011 122.777 122.820 -0.054 0.000 2.547 161 A HA 0.693 5.013 4.320 0.000 0.000 0.297 161 A C -0.161 177.349 177.584 -0.123 0.000 1.056 161 A CA -0.708 51.285 52.037 -0.074 0.000 0.688 161 A CB 1.515 20.488 19.000 -0.046 0.000 1.282 161 A HN 0.474 nan 8.150 nan 0.000 0.400 162 N N -0.303 118.242 118.700 -0.258 0.000 2.474 162 N HA 0.151 4.891 4.740 0.000 0.000 0.224 162 N C -0.082 175.168 175.510 -0.434 0.000 1.092 162 N CA 0.846 53.644 53.050 -0.419 0.000 0.844 162 N CB 0.288 38.355 38.487 -0.701 0.000 1.381 162 N HN 0.868 nan 8.380 nan 0.000 0.458 163 H N -0.319 118.768 119.070 0.029 0.000 2.869 163 H HA 0.395 4.951 4.556 0.000 0.000 0.342 163 H C -0.394 174.953 175.328 0.033 0.000 1.250 163 H CA -0.776 55.289 56.048 0.029 0.000 1.217 163 H CB 1.278 31.054 29.762 0.023 0.000 1.917 163 H HN -0.217 nan 8.280 nan 0.000 0.586 164 Q N -0.291 119.606 119.800 0.161 0.000 2.312 164 Q HA 0.323 4.663 4.340 0.000 0.000 0.236 164 Q C 0.570 176.630 176.000 0.099 0.000 0.965 164 Q CA 0.546 56.409 55.803 0.101 0.000 0.894 164 Q CB 1.306 30.096 28.738 0.086 0.000 1.225 164 Q HN 0.992 nan 8.270 nan 0.000 0.478 165 G N 0.779 109.628 108.800 0.082 0.000 2.336 165 G HA2 -0.340 3.620 3.960 0.000 0.000 0.233 165 G HA3 -0.340 3.620 3.960 0.000 0.000 0.233 165 G C 0.794 175.764 174.900 0.117 0.000 1.053 165 G CA 0.513 45.668 45.100 0.092 0.000 0.625 165 G HN 0.697 nan 8.290 nan 0.000 0.511 166 E N 0.315 120.578 120.200 0.104 0.000 2.038 166 E HA -0.001 4.349 4.350 0.000 0.000 0.195 166 E C 2.496 179.165 176.600 0.114 0.000 1.000 166 E CA 1.322 57.791 56.400 0.115 0.000 0.803 166 E CB -0.097 29.639 29.700 0.059 0.000 0.750 166 E HN 0.627 nan 8.360 nan 0.000 0.448 167 I N 1.086 121.683 120.570 0.044 0.000 2.315 167 I HA -0.236 3.934 4.170 0.000 0.000 0.248 167 I C 2.554 178.669 176.117 -0.003 0.000 1.117 167 I CA 0.650 61.946 61.300 -0.007 0.000 1.404 167 I CB -0.307 37.652 38.000 -0.068 0.000 1.071 167 I HN 0.090 nan 8.210 nan 0.000 0.419 168 A N 1.075 123.916 122.820 0.035 0.000 1.917 168 A HA -0.285 4.035 4.320 0.000 0.000 0.219 168 A C 2.269 179.900 177.584 0.078 0.000 1.182 168 A CA 1.730 53.793 52.037 0.044 0.000 0.633 168 A CB -1.191 17.857 19.000 0.079 0.000 0.819 168 A HN 0.743 nan 8.150 nan 0.000 0.448 169 W N 1.526 122.816 121.300 -0.017 0.000 2.353 169 W HA -0.239 4.421 4.660 0.000 0.000 0.319 169 W C 2.369 178.873 176.519 -0.024 0.000 1.207 169 W CA 2.856 60.194 57.345 -0.012 0.000 1.291 169 W CB -0.647 28.813 29.460 -0.001 0.000 1.159 169 W HN 0.510 nan 8.180 nan 0.000 0.478 170 T N -0.289 114.152 114.554 -0.188 0.000 2.833 170 T HA -0.213 4.137 4.350 0.000 0.000 0.269 170 T C 1.741 176.268 174.700 -0.288 0.000 1.054 170 T CA 2.130 64.050 62.100 -0.300 0.000 1.135 170 T CB -1.149 67.665 68.868 -0.090 0.000 0.869 170 T HN 0.101 nan 8.240 nan 0.000 0.466 171 V N 1.766 121.557 119.914 -0.205 0.000 2.667 171 V HA -0.065 4.055 4.120 0.000 0.000 0.252 171 V C 2.994 178.964 176.094 -0.206 0.000 1.065 171 V CA 1.325 63.517 62.300 -0.179 0.000 1.083 171 V CB -1.458 30.282 31.823 -0.138 0.000 0.692 171 V HN 0.701 nan 8.190 nan 0.000 0.468 172 S N 1.321 116.863 115.700 -0.263 0.000 2.383 172 S HA -0.085 4.385 4.470 0.000 0.000 0.227 172 S C 1.925 176.326 174.600 -0.331 0.000 1.026 172 S CA 1.615 59.657 58.200 -0.264 0.000 0.981 172 S CB -0.684 62.359 63.200 -0.262 0.000 0.818 172 S HN 0.600 nan 8.310 nan 0.000 0.472 173 L N 0.989 121.926 121.223 -0.476 0.000 2.044 173 L HA -0.027 4.313 4.340 0.000 0.000 0.205 173 L C 2.997 179.714 176.870 -0.255 0.000 1.075 173 L CA 1.588 56.181 54.840 -0.411 0.000 0.747 173 L CB -1.574 40.178 42.059 -0.512 0.000 0.903 173 L HN 0.346 nan 8.230 nan 0.000 0.435 174 T N -1.327 113.089 114.554 -0.231 0.000 2.821 174 T HA -0.060 4.290 4.350 0.000 0.000 0.267 174 T C 0.654 175.274 174.700 -0.132 0.000 1.046 174 T CA 0.192 62.193 62.100 -0.165 0.000 1.139 174 T CB -0.145 68.634 68.868 -0.148 0.000 0.871 174 T HN 0.179 nan 8.240 nan 0.000 0.454 175 R N 1.149 121.571 120.500 -0.130 0.000 3.092 175 R HA -0.112 4.228 4.340 0.000 0.000 0.245 175 R C -2.743 173.512 176.300 -0.076 0.000 0.881 175 R CA 0.241 56.283 56.100 -0.097 0.000 0.614 175 R CB -1.925 28.318 30.300 -0.095 0.000 1.128 175 R HN 0.429 nan 8.270 nan 0.000 0.483 176 P HA 0.079 nan 4.420 nan 0.000 0.275 176 P C 0.376 177.658 177.300 -0.031 0.000 1.228 176 P CA -0.154 62.917 63.100 -0.048 0.000 0.786 176 P CB 0.640 32.310 31.700 -0.050 0.000 0.927 177 E N 0.855 121.042 120.200 -0.022 0.000 2.274 177 E HA 0.084 4.434 4.350 0.000 0.000 0.194 177 E C 0.519 177.108 176.600 -0.018 0.000 0.996 177 E CA 0.649 57.037 56.400 -0.020 0.000 0.840 177 E CB 0.160 29.853 29.700 -0.011 0.000 0.772 177 E HN 0.548 nan 8.360 nan 0.000 0.491 178 A N 0.540 123.357 122.820 -0.004 0.000 2.520 178 A HA 0.723 5.043 4.320 0.000 0.000 0.298 178 A C -1.411 176.191 177.584 0.031 0.000 1.051 178 A CA -0.418 51.627 52.037 0.014 0.000 0.690 178 A CB 1.827 20.836 19.000 0.014 0.000 1.281 178 A HN 0.071 nan 8.150 nan 0.000 0.402 179 A N 1.248 124.120 122.820 0.086 0.000 2.414 179 A HA 0.824 5.144 4.320 0.000 0.000 0.306 179 A C -1.225 176.442 177.584 0.138 0.000 1.054 179 A CA -0.434 51.637 52.037 0.057 0.000 0.724 179 A CB 1.284 20.291 19.000 0.012 0.000 1.267 179 A HN 1.781 nan 8.150 nan 0.000 0.418 180 L N 2.420 123.660 121.223 0.028 0.000 2.408 180 L HA 0.776 5.116 4.340 0.000 0.000 0.268 180 L C -1.587 175.274 176.870 -0.015 0.000 0.986 180 L CA -0.768 54.129 54.840 0.094 0.000 0.820 180 L CB 2.174 44.277 42.059 0.073 0.000 1.303 180 L HN 0.445 nan 8.230 nan 0.000 0.411 181 V N 4.896 124.850 119.914 0.067 0.000 2.313 181 V HA 0.221 4.341 4.120 0.000 0.000 0.278 181 V C 0.831 177.072 176.094 0.246 0.000 1.017 181 V CA -0.430 61.884 62.300 0.023 0.000 0.823 181 V CB 0.946 32.687 31.823 -0.137 0.000 1.010 181 V HN 0.903 nan 8.190 nan 0.000 0.443 182 N N 4.010 122.833 118.700 0.206 0.000 2.188 182 N HA -0.072 4.668 4.740 0.000 0.000 0.184 182 N C 0.301 175.993 175.510 0.303 0.000 1.018 182 N CA 1.406 54.638 53.050 0.302 0.000 0.858 182 N CB 0.430 39.016 38.487 0.165 0.000 0.989 182 N HN 0.950 nan 8.380 nan 0.000 0.426 183 N N -1.517 117.320 118.700 0.228 0.000 3.533 183 N HA 0.251 4.991 4.740 0.000 0.000 0.229 183 N C -1.966 173.653 175.510 0.182 0.000 1.418 183 N CA -0.662 52.506 53.050 0.196 0.000 0.880 183 N CB 0.819 39.394 38.487 0.146 0.000 1.415 183 N HN -0.176 nan 8.380 nan 0.000 0.491 184 L N -0.594 120.718 121.223 0.148 0.000 2.370 184 L HA 1.035 5.375 4.340 0.000 0.000 0.266 184 L C -0.351 176.563 176.870 0.074 0.000 1.002 184 L CA -0.865 54.050 54.840 0.125 0.000 0.818 184 L CB 1.703 43.836 42.059 0.123 0.000 1.325 184 L HN 1.063 nan 8.230 nan 0.000 0.418 195 L N 2.365 123.605 121.223 0.029 0.000 2.064 195 L HA -0.162 4.179 4.340 0.000 0.000 0.216 195 L C 2.345 179.239 176.870 0.040 0.000 1.077 195 L CA 3.103 57.963 54.840 0.033 0.000 0.766 195 L CB -1.175 40.896 42.059 0.020 0.000 0.890 195 L HN 0.899 nan 8.230 nan 0.000 0.435 196 A N -0.726 122.111 122.820 0.028 0.000 1.940 196 A HA -0.125 4.195 4.320 0.000 0.000 0.219 196 A C 2.370 179.991 177.584 0.062 0.000 1.176 196 A CA 1.754 53.810 52.037 0.031 0.000 0.631 196 A CB -1.584 17.426 19.000 0.018 0.000 0.814 196 A HN 0.579 nan 8.150 nan 0.000 0.446 197 G N -0.445 108.391 108.800 0.060 0.000 2.422 197 G HA2 -0.101 3.859 3.960 0.000 0.000 0.218 197 G HA3 -0.101 3.859 3.960 0.000 0.000 0.218 197 G C 1.634 176.588 174.900 0.089 0.000 1.146 197 G CA 1.708 46.851 45.100 0.072 0.000 0.769 197 G HN 1.068 nan 8.290 nan 0.000 0.547 198 V N -0.612 119.354 119.914 0.087 0.000 2.453 198 V HA 0.196 4.316 4.120 0.000 0.000 0.247 198 V C 2.848 179.033 176.094 0.153 0.000 1.048 198 V CA 1.888 64.247 62.300 0.098 0.000 1.049 198 V CB -0.681 31.190 31.823 0.081 0.000 0.672 198 V HN 0.373 nan 8.190 nan 0.000 0.457 199 A N 0.841 123.767 122.820 0.177 0.000 1.902 199 A HA -0.202 4.118 4.320 0.000 0.000 0.217 199 A C 2.251 180.092 177.584 0.428 0.000 1.181 199 A CA 2.362 54.585 52.037 0.310 0.000 0.623 199 A CB -0.733 18.350 19.000 0.139 0.000 0.818 199 A HN 0.633 nan 8.150 nan 0.000 0.443 200 K N 0.265 120.822 120.400 0.260 0.000 2.032 200 K HA -0.055 4.265 4.320 0.000 0.000 0.209 200 K C 2.015 178.718 176.600 0.172 0.000 1.048 200 K CA 1.842 58.268 56.287 0.232 0.000 0.927 200 K CB -0.631 31.952 32.500 0.139 0.000 0.712 200 K HN 0.325 nan 8.250 nan 0.000 0.441 201 A N 1.269 124.163 122.820 0.123 0.000 1.841 201 A HA -0.184 4.136 4.320 0.000 0.000 0.216 201 A C 1.908 179.491 177.584 -0.002 0.000 1.199 201 A CA 2.069 54.141 52.037 0.059 0.000 0.621 201 A CB -0.616 18.416 19.000 0.053 0.000 0.835 201 A HN 0.274 nan 8.150 nan 0.000 0.445 202 K N -0.295 120.113 120.400 0.013 0.000 2.152 202 K HA -0.126 4.194 4.320 0.000 0.000 0.206 202 K C 1.968 178.326 176.600 -0.403 0.000 1.048 202 K CA 1.252 57.465 56.287 -0.124 0.000 0.933 202 K CB -1.201 31.291 32.500 -0.013 0.000 0.721 202 K HN 0.512 nan 8.250 nan 0.000 0.447 203 G N 1.580 110.210 108.800 -0.284 0.000 2.470 203 G HA2 -0.246 3.714 3.960 0.000 0.000 0.220 203 G HA3 -0.246 3.714 3.960 0.000 0.000 0.220 203 G C 1.300 175.928 174.900 -0.454 0.000 1.121 203 G CA 0.406 45.083 45.100 -0.704 0.000 0.766 203 G HN 0.428 nan 8.290 nan 0.000 0.553 204 E N -0.217 119.839 120.200 -0.240 0.000 2.209 204 E HA -0.098 4.252 4.350 0.000 0.000 0.196 204 E C 2.206 178.658 176.600 -0.248 0.000 0.993 204 E CA 0.294 56.602 56.400 -0.153 0.000 0.819 204 E CB -0.142 29.514 29.700 -0.073 0.000 0.745 204 E HN 0.531 nan 8.360 nan 0.000 0.477 205 I N 0.445 120.744 120.570 -0.451 0.000 2.399 205 I HA -0.294 3.876 4.170 0.000 0.000 0.254 205 I C 1.401 177.278 176.117 -0.400 0.000 1.146 205 I CA 1.204 62.225 61.300 -0.465 0.000 1.412 205 I CB -0.004 37.636 38.000 -0.600 0.000 1.076 205 I HN 0.080 nan 8.210 nan 0.000 0.432 206 F N 0.411 120.257 119.950 -0.173 0.000 2.502 206 F HA -0.146 4.381 4.527 0.000 0.000 0.298 206 F C 2.684 178.441 175.800 -0.073 0.000 1.111 206 F CA 0.733 58.661 58.000 -0.120 0.000 1.445 206 F CB -0.412 38.514 39.000 -0.124 0.000 1.081 206 F HN 0.202 nan 8.300 nan 0.000 0.558 207 S N -0.380 115.354 115.700 0.055 0.000 2.515 207 S HA -0.013 4.457 4.470 0.000 0.000 0.231 207 S C 1.940 176.543 174.600 0.005 0.000 0.987 207 S CA 0.743 58.965 58.200 0.036 0.000 0.936 207 S CB -0.558 62.652 63.200 0.017 0.000 0.766 207 S HN 0.319 nan 8.310 nan 0.000 0.528 208 G N 0.698 109.487 108.800 -0.018 0.000 3.088 208 G HA2 0.393 4.353 3.960 0.000 0.000 0.217 208 G HA3 0.393 4.353 3.960 0.000 0.000 0.217 208 G C 0.211 175.097 174.900 -0.024 0.000 1.159 208 G CA -0.494 44.582 45.100 -0.041 0.000 0.760 208 G HN 0.438 nan 8.290 nan 0.000 0.550 209 L N 2.118 123.347 121.223 0.010 0.000 2.397 209 L HA 0.300 4.640 4.340 0.000 0.000 0.271 209 L C -1.519 175.349 176.870 -0.003 0.000 1.148 209 L CA -1.742 53.105 54.840 0.011 0.000 0.825 209 L CB 1.228 43.315 42.059 0.047 0.000 1.117 209 L HN 0.015 nan 8.230 nan 0.000 0.456 210 P HA 0.094 nan 4.420 nan 0.000 0.277 210 P C -0.045 177.245 177.300 -0.017 0.000 1.271 210 P CA -0.454 62.634 63.100 -0.019 0.000 0.795 210 P CB 0.760 32.444 31.700 -0.027 0.000 1.101 211 E N -0.017 120.173 120.200 -0.016 0.000 2.265 211 E HA -0.189 4.161 4.350 0.000 0.000 0.196 211 E C 1.072 177.656 176.600 -0.026 0.000 0.996 211 E CA 1.440 57.830 56.400 -0.016 0.000 0.832 211 E CB -0.419 29.273 29.700 -0.012 0.000 0.756 211 E HN 0.595 nan 8.360 nan 0.000 0.491 212 N N -0.514 118.166 118.700 -0.033 0.000 2.230 212 N HA 0.060 4.800 4.740 0.000 0.000 0.202 212 N C 0.634 176.105 175.510 -0.066 0.000 1.119 212 N CA -0.046 52.975 53.050 -0.047 0.000 0.851 212 N CB 0.748 39.211 38.487 -0.041 0.000 0.990 212 N HN -0.088 nan 8.380 nan 0.000 0.497 213 G N 0.503 109.270 108.800 -0.054 0.000 2.606 213 G HA2 0.430 4.391 3.960 0.000 0.000 0.252 213 G HA3 0.430 4.391 3.960 0.000 0.000 0.252 213 G C -0.502 174.340 174.900 -0.096 0.000 1.206 213 G CA -0.568 44.496 45.100 -0.060 0.000 0.861 213 G HN 0.257 nan 8.290 nan 0.000 0.561 214 I N 1.069 121.571 120.570 -0.114 0.000 2.362 214 I HA 0.413 4.583 4.170 0.000 0.000 0.289 214 I C 0.450 176.537 176.117 -0.050 0.000 0.994 214 I CA -0.722 60.472 61.300 -0.176 0.000 1.158 214 I CB 1.813 39.611 38.000 -0.336 0.000 1.315 214 I HN 0.510 nan 8.210 nan 0.000 0.451 215 A N 8.076 130.862 122.820 -0.056 0.000 2.289 215 A HA 0.800 5.120 4.320 0.000 0.000 0.298 215 A C -0.332 177.288 177.584 0.061 0.000 1.208 215 A CA -0.230 51.787 52.037 -0.033 0.000 0.845 215 A CB 0.422 19.185 19.000 -0.395 0.000 1.125 215 A HN 0.697 nan 8.150 nan 0.000 0.517 219 A N 2.153 124.732 122.820 -0.401 0.000 1.933 219 A HA -0.135 4.185 4.320 0.000 0.000 0.218 219 A C 1.137 178.634 177.584 -0.146 0.000 1.175 219 A CA 1.562 53.476 52.037 -0.206 0.000 0.628 219 A CB -0.147 18.750 19.000 -0.173 0.000 0.814 219 A HN 0.778 nan 8.150 nan 0.000 0.444 220 D N -0.876 119.428 120.400 -0.161 0.000 2.340 220 D HA 0.059 4.700 4.640 0.000 0.000 0.220 220 D C -0.069 176.194 176.300 -0.063 0.000 1.039 220 D CA 0.469 54.414 54.000 -0.092 0.000 0.866 220 D CB 0.058 40.814 40.800 -0.074 0.000 0.913 220 D HN 0.368 nan 8.370 nan 0.000 0.523 221 N N 0.659 119.322 118.700 -0.063 0.000 3.112 221 N HA 0.027 4.767 4.740 0.000 0.000 0.231 221 N C -1.672 173.849 175.510 0.018 0.000 1.385 221 N CA -0.332 52.707 53.050 -0.018 0.000 0.790 221 N CB 0.214 38.711 38.487 0.017 0.000 1.563 221 N HN 0.128 nan 8.380 nan 0.000 0.613 222 N N -0.214 118.449 118.700 -0.062 0.000 3.364 222 N HA 0.430 5.170 4.740 0.000 0.000 0.294 222 N C -1.595 173.576 175.510 -0.565 0.000 1.562 222 N CA -0.665 52.261 53.050 -0.206 0.000 0.862 222 N CB 1.015 39.530 38.487 0.047 0.000 1.691 222 N HN -0.068 nan 8.380 nan 0.000 0.572 223 D N -1.189 118.425 120.400 -1.309 0.000 2.952 223 D HA 0.085 4.725 4.640 0.000 0.000 0.373 223 D C -0.145 175.686 176.300 -0.783 0.000 1.360 223 D CA -0.689 52.666 54.000 -1.074 0.000 0.788 223 D CB -0.385 39.678 40.800 -1.228 0.000 1.192 223 D HN 0.667 nan 8.370 nan 0.000 0.462 224 W N 0.727 121.773 121.300 -0.423 0.000 2.305 224 W HA -0.297 4.363 4.660 -0.000 0.000 0.308 224 W C 0.924 177.402 176.519 -0.069 0.000 1.226 224 W CA 0.673 57.968 57.345 -0.083 0.000 1.253 224 W CB -0.121 29.319 29.460 -0.033 0.000 1.146 224 W HN 0.237 nan 8.180 nan 0.000 0.507 225 L N 2.022 123.119 121.223 -0.210 0.000 2.051 225 L HA -0.337 4.003 4.340 0.000 0.000 0.214 225 L C 2.154 178.843 176.870 -0.301 0.000 1.076 225 L CA 2.451 57.115 54.840 -0.294 0.000 0.758 225 L CB -0.980 40.985 42.059 -0.156 0.000 0.890 225 L HN 0.005 nan 8.230 nan 0.000 0.433 226 N N -2.452 116.115 118.700 -0.221 0.000 2.432 226 N HA -0.106 4.634 4.740 0.000 0.000 0.174 226 N C 1.542 177.100 175.510 0.080 0.000 1.037 226 N CA 0.715 53.715 53.050 -0.084 0.000 0.892 226 N CB -0.225 38.247 38.487 -0.025 0.000 1.049 226 N HN 0.351 nan 8.380 nan 0.000 0.442 227 W N 3.293 124.564 121.300 -0.048 0.000 2.392 227 W HA -0.073 4.587 4.660 0.000 0.000 0.279 227 W C 2.237 178.661 176.519 -0.158 0.000 1.225 227 W CA 0.549 57.921 57.345 0.045 0.000 1.233 227 W CB -0.816 28.795 29.460 0.253 0.000 1.122 227 W HN 0.363 nan 8.180 nan 0.000 0.561 228 Q N 0.268 119.861 119.800 -0.344 0.000 2.291 228 Q HA -0.166 4.174 4.340 0.000 0.000 0.206 228 Q C 1.821 177.668 176.000 -0.254 0.000 0.976 228 Q CA 2.067 57.471 55.803 -0.664 0.000 0.875 228 Q CB -1.055 26.832 28.738 -1.419 0.000 0.927 228 Q HN 0.209 nan 8.270 nan 0.000 0.450 229 S N -0.087 115.530 115.700 -0.138 0.000 2.489 229 S HA -0.005 4.465 4.470 0.000 0.000 0.228 229 S C 1.712 176.317 174.600 0.008 0.000 0.995 229 S CA 0.524 58.690 58.200 -0.056 0.000 0.934 229 S CB 0.522 63.703 63.200 -0.032 0.000 0.771 229 S HN 0.314 nan 8.310 nan 0.000 0.522 230 V N 1.284 121.231 119.914 0.055 0.000 3.379 230 V HA 0.282 4.402 4.120 0.000 0.000 0.249 230 V C 1.727 177.873 176.094 0.087 0.000 1.184 230 V CA 0.490 62.844 62.300 0.091 0.000 1.106 230 V CB 0.144 32.053 31.823 0.144 0.000 0.826 230 V HN 0.550 nan 8.190 nan 0.000 0.465 231 I N 0.885 121.487 120.570 0.053 0.000 2.761 231 I HA 0.448 4.618 4.170 0.000 0.000 0.261 231 I C 1.534 177.665 176.117 0.024 0.000 1.198 231 I CA 1.472 62.774 61.300 0.004 0.000 1.482 231 I CB -0.787 37.139 38.000 -0.123 0.000 1.100 231 I HN 0.435 nan 8.210 nan 0.000 0.445 232 G N 0.966 109.775 108.800 0.014 0.000 2.591 232 G HA2 -0.352 3.608 3.960 0.000 0.000 0.298 232 G HA3 -0.352 3.608 3.960 0.000 0.000 0.298 232 G C 0.726 175.650 174.900 0.040 0.000 1.195 232 G CA 0.449 45.557 45.100 0.015 0.000 0.989 232 G HN 0.485 nan 8.290 nan 0.000 0.551 233 S N 1.416 117.136 115.700 0.034 0.000 2.572 233 S HA 0.280 4.750 4.470 0.000 0.000 0.228 233 S C 1.165 175.782 174.600 0.029 0.000 0.963 233 S CA 0.105 58.331 58.200 0.042 0.000 0.939 233 S CB 0.117 63.332 63.200 0.026 0.000 0.804 233 S HN 0.580 nan 8.310 nan 0.000 0.480 234 R N 1.948 122.460 120.500 0.020 0.000 2.827 234 R HA 0.189 4.529 4.340 0.000 0.000 0.269 234 R C 0.186 176.470 176.300 -0.026 0.000 1.048 234 R CA 0.137 56.230 56.100 -0.012 0.000 1.173 234 R CB 0.369 30.657 30.300 -0.021 0.000 1.070 234 R HN 0.211 nan 8.270 nan 0.000 0.498 235 K N 0.483 120.836 120.400 -0.079 0.000 2.380 235 K HA 0.138 4.458 4.320 0.000 0.000 0.267 235 K C -0.608 175.911 176.600 -0.136 0.000 0.990 235 K CA 0.061 56.270 56.287 -0.131 0.000 0.946 235 K CB 0.678 33.032 32.500 -0.243 0.000 0.937 235 K HN 0.143 nan 8.250 nan 0.000 0.491 236 V N 2.600 122.447 119.914 -0.112 0.000 2.709 236 V HA 0.354 4.474 4.120 0.000 0.000 0.308 236 V C -1.270 174.897 176.094 0.120 0.000 1.062 236 V CA -0.905 61.360 62.300 -0.058 0.000 0.901 236 V CB 1.513 33.261 31.823 -0.124 0.000 1.003 236 V HN 0.682 nan 8.190 nan 0.000 0.425 237 W N 3.469 124.780 121.300 0.018 0.000 2.819 237 W HA 0.729 5.389 4.660 0.000 0.000 0.337 237 W C -0.082 176.506 176.519 0.115 0.000 1.077 237 W CA -1.250 56.166 57.345 0.118 0.000 1.226 237 W CB 2.084 31.669 29.460 0.210 0.000 1.419 237 W HN 0.357 nan 8.180 nan 0.000 0.502 238 R N 2.669 123.368 120.500 0.331 0.000 2.621 238 R HA 0.593 4.933 4.340 0.000 0.000 0.292 238 R C -1.003 175.442 176.300 0.241 0.000 0.969 238 R CA -0.731 55.467 56.100 0.163 0.000 0.887 238 R CB 2.029 32.325 30.300 -0.007 0.000 1.180 238 R HN 0.297 nan 8.270 nan 0.000 0.450 239 F N -0.211 119.810 119.950 0.117 0.000 2.561 239 F HA 0.853 5.380 4.527 0.000 0.000 0.321 239 F C -0.482 175.361 175.800 0.071 0.000 1.065 239 F CA -1.008 57.063 58.000 0.118 0.000 0.934 239 F CB 2.264 41.291 39.000 0.044 0.000 1.215 239 F HN 0.431 nan 8.300 nan 0.000 0.471 240 S N 2.143 117.923 115.700 0.133 0.000 2.714 240 S HA 0.290 4.760 4.470 0.000 0.000 0.297 240 S C -2.718 171.922 174.600 0.068 0.000 0.993 240 S CA -0.782 57.436 58.200 0.030 0.000 0.844 240 S CB 1.025 64.175 63.200 -0.084 0.000 1.043 240 S HN 0.400 nan 8.310 nan 0.000 0.457 241 P HA -0.023 nan 4.420 nan 0.000 0.216 241 P C 0.545 177.843 177.300 -0.004 0.000 1.150 241 P CA 1.951 65.051 63.100 0.000 0.000 0.843 241 P CB -0.179 31.496 31.700 -0.042 0.000 0.787 242 N N -4.389 114.304 118.700 -0.011 0.000 2.110 242 N HA 0.249 4.989 4.740 0.000 0.000 0.230 242 N C -0.099 175.397 175.510 -0.023 0.000 1.353 242 N CA -0.333 52.707 53.050 -0.016 0.000 0.807 242 N CB 0.206 38.682 38.487 -0.018 0.000 1.244 242 N HN -0.132 nan 8.380 nan 0.000 0.504 243 A N 0.827 123.629 122.820 -0.030 0.000 2.520 243 A HA 0.508 4.828 4.320 0.000 0.000 0.235 243 A C 1.601 179.162 177.584 -0.039 0.000 1.065 243 A CA 0.427 52.439 52.037 -0.041 0.000 0.764 243 A CB 0.274 19.238 19.000 -0.061 0.000 1.002 243 A HN 0.463 nan 8.150 nan 0.000 0.502 244 A N 2.103 124.900 122.820 -0.039 0.000 1.933 244 A HA -0.151 4.169 4.320 0.000 0.000 0.218 244 A C 1.509 179.067 177.584 -0.043 0.000 1.175 244 A CA 1.767 53.782 52.037 -0.036 0.000 0.628 244 A CB -0.552 18.429 19.000 -0.032 0.000 0.814 244 A HN 1.055 nan 8.150 nan 0.000 0.444 245 N N -0.350 118.317 118.700 -0.054 0.000 2.276 245 N HA 0.077 4.817 4.740 0.000 0.000 0.212 245 N C 0.063 175.537 175.510 -0.060 0.000 1.127 245 N CA 0.538 53.549 53.050 -0.065 0.000 0.834 245 N CB -0.346 38.084 38.487 -0.094 0.000 1.014 245 N HN 0.176 nan 8.380 nan 0.000 0.491 246 S N -0.216 115.456 115.700 -0.048 0.000 2.565 246 S HA 0.163 4.633 4.470 0.000 0.000 0.274 246 S C 0.412 174.986 174.600 -0.043 0.000 1.309 246 S CA -0.486 57.699 58.200 -0.024 0.000 1.043 246 S CB 0.850 64.044 63.200 -0.010 0.000 0.939 246 S HN 0.175 nan 8.310 nan 0.000 0.504 247 D N 2.557 122.942 120.400 -0.025 0.000 2.338 247 D HA 0.097 4.737 4.640 0.000 0.000 0.208 247 D C -0.568 175.393 176.300 -0.565 0.000 0.997 247 D CA 0.780 54.633 54.000 -0.246 0.000 0.880 247 D CB 0.219 40.864 40.800 -0.258 0.000 0.980 247 D HN 0.476 nan 8.370 nan 0.000 0.509 248 F N 1.277 121.150 119.950 -0.128 0.000 2.382 248 F HA 0.312 4.839 4.527 0.000 0.000 0.361 248 F C 0.522 176.329 175.800 0.012 0.000 1.109 248 F CA -0.414 57.540 58.000 -0.076 0.000 1.031 248 F CB 1.795 40.764 39.000 -0.052 0.000 1.234 248 F HN -0.443 nan 8.300 nan 0.000 0.445 249 T N 2.172 116.754 114.554 0.048 0.000 2.950 249 T HA 0.846 5.197 4.350 0.000 0.000 0.288 249 T C -0.789 173.981 174.700 0.117 0.000 1.035 249 T CA -0.743 61.392 62.100 0.059 0.000 1.028 249 T CB 1.767 70.631 68.868 -0.008 0.000 1.109 249 T HN 0.574 nan 8.240 nan 0.000 0.514 250 A N 1.979 124.851 122.820 0.087 0.000 2.357 250 A HA 0.722 5.042 4.320 0.000 0.000 0.295 250 A C 0.084 177.713 177.584 0.075 0.000 1.121 250 A CA -0.733 51.377 52.037 0.122 0.000 0.742 250 A CB 0.775 19.683 19.000 -0.155 0.000 1.181 250 A HN 0.852 nan 8.150 nan 0.000 0.454 251 T N -0.830 113.812 114.554 0.147 0.000 2.888 251 T HA 0.591 4.941 4.350 0.000 0.000 0.288 251 T C 0.064 174.845 174.700 0.135 0.000 1.063 251 T CA -0.694 61.461 62.100 0.092 0.000 1.010 251 T CB 0.877 69.780 68.868 0.058 0.000 1.214 251 T HN 0.679 nan 8.240 nan 0.000 0.533 252 N N 0.056 118.809 118.700 0.088 0.000 2.727 252 N HA -0.128 4.612 4.740 0.000 0.000 0.249 252 N C -0.563 175.040 175.510 0.155 0.000 1.048 252 N CA 0.393 53.502 53.050 0.098 0.000 0.714 252 N CB -1.609 36.932 38.487 0.090 0.000 0.959 252 N HN 0.756 nan 8.380 nan 0.000 0.544 253 I N 1.087 121.730 120.570 0.121 0.000 2.494 253 I HA -0.067 4.103 4.170 0.000 0.000 0.289 253 I C 0.817 177.035 176.117 0.170 0.000 1.106 253 I CA 0.240 61.614 61.300 0.123 0.000 1.369 253 I CB 0.093 38.092 38.000 -0.002 0.000 1.410 253 I HN 0.147 nan 8.210 nan 0.000 0.523 254 H N 6.749 125.863 119.070 0.074 0.000 2.800 254 H HA 0.341 4.897 4.556 0.000 0.000 0.322 254 H C -1.136 174.222 175.328 0.050 0.000 0.979 254 H CA -0.777 55.301 56.048 0.049 0.000 1.277 254 H CB 1.416 31.206 29.762 0.048 0.000 1.484 254 H HN 0.317 nan 8.280 nan 0.000 0.512 255 V N 5.683 125.643 119.914 0.076 0.000 2.614 255 V HA 0.479 4.599 4.120 0.000 0.000 0.291 255 V C -0.377 175.572 176.094 -0.242 0.000 1.049 255 V CA 0.440 62.703 62.300 -0.061 0.000 1.038 255 V CB 0.866 32.689 31.823 -0.000 0.000 0.980 255 V HN 0.939 nan 8.190 nan 0.000 0.481 256 T N 4.058 118.477 114.554 -0.226 0.000 2.907 256 T HA 0.329 4.679 4.350 0.000 0.000 0.290 256 T C 1.077 175.665 174.700 -0.186 0.000 1.066 256 T CA 0.165 62.117 62.100 -0.247 0.000 1.012 256 T CB 1.778 70.507 68.868 -0.233 0.000 1.184 256 T HN 0.958 nan 8.240 nan 0.000 0.522 257 S N 0.477 116.015 115.700 -0.271 0.000 2.440 257 S HA -0.171 4.299 4.470 0.000 0.000 0.238 257 S C 1.341 175.729 174.600 -0.353 0.000 1.010 257 S CA 1.158 59.166 58.200 -0.320 0.000 0.972 257 S CB -0.478 62.481 63.200 -0.401 0.000 0.774 257 S HN 0.698 nan 8.310 nan 0.000 0.501 258 H N 1.511 120.541 119.070 -0.067 0.000 2.284 258 H HA 0.484 5.040 4.556 0.000 0.000 0.314 258 H C 1.498 176.787 175.328 -0.066 0.000 1.058 258 H CA 1.041 57.049 56.048 -0.066 0.000 1.394 258 H CB -0.659 29.065 29.762 -0.063 0.000 1.431 258 H HN 0.548 nan 8.280 nan 0.000 0.537 259 G N -0.530 108.308 108.800 0.065 0.000 2.664 259 G HA2 0.278 4.238 3.960 0.000 0.000 0.303 259 G HA3 0.278 4.238 3.960 0.000 0.000 0.303 259 G C -1.152 173.754 174.900 0.010 0.000 1.243 259 G CA -0.495 44.617 45.100 0.020 0.000 0.826 259 G HN 0.139 nan 8.290 nan 0.000 0.498 260 T N 1.721 116.304 114.554 0.049 0.000 2.744 260 T HA 0.510 4.860 4.350 0.000 0.000 0.291 260 T C -0.401 174.423 174.700 0.206 0.000 0.957 260 T CA -0.130 62.027 62.100 0.095 0.000 1.002 260 T CB 1.420 70.343 68.868 0.091 0.000 0.919 260 T HN 0.372 nan 8.240 nan 0.000 0.468 261 E N 2.668 122.959 120.200 0.151 0.000 2.216 261 E HA 0.634 4.984 4.350 0.000 0.000 0.279 261 E C -0.668 176.129 176.600 0.329 0.000 0.997 261 E CA -0.673 55.816 56.400 0.147 0.000 0.817 261 E CB 1.136 30.871 29.700 0.059 0.000 1.096 261 E HN 0.668 nan 8.360 nan 0.000 0.393 262 F N -2.011 117.946 119.950 0.011 0.000 2.744 262 F HA 0.338 4.865 4.527 0.000 0.000 0.311 262 F C -1.090 174.713 175.800 0.005 0.000 1.144 262 F CA -1.142 56.867 58.000 0.016 0.000 0.938 262 F CB 1.015 40.023 39.000 0.013 0.000 1.292 262 F HN 0.042 nan 8.300 nan 0.000 0.444 263 T N 4.067 118.723 114.554 0.170 0.000 2.727 263 T HA 0.404 4.754 4.350 0.000 0.000 0.298 263 T C -0.748 174.022 174.700 0.117 0.000 0.942 263 T CA -0.254 61.869 62.100 0.037 0.000 0.997 263 T CB 0.693 69.588 68.868 0.046 0.000 0.917 263 T HN 0.605 nan 8.240 nan 0.000 0.487 264 L N 5.098 126.295 121.223 -0.043 0.000 2.278 264 L HA 0.336 4.676 4.340 0.000 0.000 0.287 264 L C -0.121 176.750 176.870 0.000 0.000 1.072 264 L CA -0.165 54.705 54.840 0.049 0.000 0.819 264 L CB 0.330 42.332 42.059 -0.094 0.000 1.176 264 L HN 0.601 nan 8.230 nan 0.000 0.435 265 Q N 4.101 123.905 119.800 0.005 0.000 2.400 265 Q HA 0.451 4.791 4.340 0.000 0.000 0.255 265 Q C -0.127 175.728 176.000 -0.240 0.000 1.008 265 Q CA -0.452 55.295 55.803 -0.094 0.000 0.841 265 Q CB 1.253 29.946 28.738 -0.074 0.000 1.220 265 Q HN 0.781 nan 8.270 nan 0.000 0.474 266 T N -1.629 112.734 114.554 -0.318 0.000 2.948 266 T HA 0.402 4.752 4.350 0.000 0.000 0.285 266 T C -2.032 172.343 174.700 -0.541 0.000 1.019 266 T CA -2.308 59.399 62.100 -0.654 0.000 1.013 266 T CB 1.311 69.955 68.868 -0.373 0.000 1.117 266 T HN 0.119 nan 8.240 nan 0.000 0.533 267 P HA -0.026 nan 4.420 nan 0.000 0.224 267 P C 1.162 178.379 177.300 -0.138 0.000 1.142 267 P CA 1.022 63.922 63.100 -0.334 0.000 0.778 267 P CB -0.132 31.420 31.700 -0.246 0.000 0.764 268 T N -5.955 108.526 114.554 -0.122 0.000 3.023 268 T HA 0.542 4.892 4.350 0.000 0.000 0.253 268 T C 0.833 175.498 174.700 -0.059 0.000 1.038 268 T CA 0.169 62.239 62.100 -0.049 0.000 0.962 268 T CB 0.474 69.338 68.868 -0.006 0.000 1.018 268 T HN 0.226 nan 8.240 nan 0.000 0.521 269 G N 0.382 109.127 108.800 -0.092 0.000 2.362 269 G HA2 0.394 4.354 3.960 0.000 0.000 0.288 269 G HA3 0.394 4.354 3.960 0.000 0.000 0.288 269 G C -1.518 173.329 174.900 -0.087 0.000 1.305 269 G CA -0.572 44.483 45.100 -0.075 0.000 0.910 269 G HN 0.353 nan 8.290 nan 0.000 0.518 270 S N -1.287 114.372 115.700 -0.068 0.000 2.599 270 S HA 0.874 5.344 4.470 0.000 0.000 0.294 270 S C -0.333 174.228 174.600 -0.065 0.000 1.094 270 S CA -0.156 58.004 58.200 -0.067 0.000 0.931 270 S CB 1.853 65.021 63.200 -0.053 0.000 1.093 270 S HN 1.935 nan 8.310 nan 0.000 0.488 271 V N -0.999 118.866 119.914 -0.082 0.000 2.777 271 V HA 0.567 4.687 4.120 0.000 0.000 0.306 271 V C -1.759 174.249 176.094 -0.144 0.000 1.112 271 V CA -1.210 61.031 62.300 -0.098 0.000 0.917 271 V CB 1.588 33.350 31.823 -0.101 0.000 1.018 271 V HN 0.722 nan 8.190 nan 0.000 0.426 272 D N 3.486 123.810 120.400 -0.126 0.000 2.339 272 D HA 0.499 5.139 4.640 0.000 0.000 0.256 272 D C 0.371 176.544 176.300 -0.212 0.000 1.214 272 D CA 0.125 54.034 54.000 -0.153 0.000 0.877 272 D CB 1.705 42.458 40.800 -0.078 0.000 1.111 272 D HN 0.918 nan 8.370 nan 0.000 0.478 273 V N 0.489 120.178 119.914 -0.376 0.000 3.103 273 V HA 0.710 4.830 4.120 0.000 0.000 0.318 273 V C -0.933 174.971 176.094 -0.317 0.000 1.114 273 V CA -1.131 60.942 62.300 -0.378 0.000 1.020 273 V CB 1.794 33.304 31.823 -0.522 0.000 1.085 273 V HN 0.342 nan 8.190 nan 0.000 0.446 274 L N 2.795 123.900 121.223 -0.195 0.000 2.372 274 L HA 0.692 5.032 4.340 0.000 0.000 0.274 274 L C -1.054 175.787 176.870 -0.048 0.000 0.988 274 L CA -0.587 54.201 54.840 -0.086 0.000 0.833 274 L CB 1.306 43.327 42.059 -0.063 0.000 1.236 274 L HN 0.845 nan 8.230 nan 0.000 0.410 275 L N 8.856 130.108 121.223 0.049 0.000 2.287 275 L HA 0.615 4.955 4.340 0.000 0.000 0.280 275 L C -1.957 174.938 176.870 0.041 0.000 1.055 275 L CA -1.767 53.123 54.840 0.083 0.000 0.863 275 L CB 0.767 42.980 42.059 0.257 0.000 1.245 275 L HN 0.513 nan 8.230 nan 0.000 0.432 276 P HA 0.042 nan 4.420 nan 0.000 0.269 276 P C -0.819 176.470 177.300 -0.018 0.000 1.601 276 P CA 0.399 63.496 63.100 -0.005 0.000 0.831 276 P CB -0.304 31.383 31.700 -0.023 0.000 1.688 277 L N 0.468 121.680 121.223 -0.019 0.000 2.409 277 L HA 0.482 4.822 4.340 0.000 0.000 0.272 277 L C -2.504 174.333 176.870 -0.054 0.000 0.980 277 L CA -2.730 52.088 54.840 -0.037 0.000 0.826 277 L CB 2.450 44.482 42.059 -0.046 0.000 1.268 277 L HN -0.253 nan 8.230 nan 0.000 0.407 278 P HA 0.325 nan 4.420 nan 0.000 0.269 278 P C -0.207 177.053 177.300 -0.066 0.000 1.215 278 P CA 0.138 63.218 63.100 -0.033 0.000 0.780 278 P CB 0.838 32.536 31.700 -0.004 0.000 0.898 279 G N 1.902 110.668 108.800 -0.056 0.000 3.367 279 G HA2 -0.109 3.851 3.960 0.000 0.000 0.686 279 G HA3 -0.109 3.851 3.960 0.000 0.000 0.686 279 G C 0.633 175.428 174.900 -0.174 0.000 1.146 279 G CA -0.286 44.768 45.100 -0.078 0.000 0.913 279 G HN 0.658 nan 8.290 nan 0.000 0.554 280 R N 1.687 122.176 120.500 -0.019 0.000 2.152 280 R HA -0.131 4.209 4.340 0.000 0.000 0.232 280 R C 2.081 178.347 176.300 -0.056 0.000 1.117 280 R CA 1.908 57.978 56.100 -0.050 0.000 0.981 280 R CB -0.501 29.797 30.300 -0.004 0.000 0.870 280 R HN 0.919 nan 8.270 nan 0.000 0.451 281 H N 0.294 119.351 119.070 -0.021 0.000 2.489 281 H HA 0.017 4.573 4.556 0.000 0.000 0.295 281 H C 0.647 175.972 175.328 -0.004 0.000 1.082 281 H CA 1.032 57.076 56.048 -0.006 0.000 1.295 281 H CB -0.396 29.370 29.762 0.007 0.000 1.380 281 H HN 0.283 nan 8.280 nan 0.000 0.548 282 N N 0.928 119.388 118.700 -0.400 0.000 2.409 282 N HA 0.014 4.754 4.740 0.000 0.000 0.179 282 N C 2.095 177.534 175.510 -0.119 0.000 1.032 282 N CA 0.471 53.373 53.050 -0.247 0.000 0.898 282 N CB 0.086 38.399 38.487 -0.290 0.000 0.971 282 N HN 0.431 nan 8.380 nan 0.000 0.441 283 I N 1.038 121.515 120.570 -0.154 0.000 2.226 283 I HA -0.242 3.928 4.170 0.000 0.000 0.245 283 I C 2.316 178.380 176.117 -0.088 0.000 1.100 283 I CA 0.951 62.117 61.300 -0.223 0.000 1.374 283 I CB -0.231 37.523 38.000 -0.410 0.000 1.057 283 I HN 0.051 nan 8.210 nan 0.000 0.413 284 A N 0.983 123.799 122.820 -0.007 0.000 1.873 284 A HA -0.205 4.115 4.320 0.000 0.000 0.215 284 A C 2.067 179.685 177.584 0.057 0.000 1.186 284 A CA 1.846 53.960 52.037 0.128 0.000 0.616 284 A CB -0.676 18.447 19.000 0.204 0.000 0.823 284 A HN 0.386 nan 8.150 nan 0.000 0.442 285 N N 0.709 119.412 118.700 0.005 0.000 2.061 285 N HA -0.162 4.578 4.740 0.000 0.000 0.193 285 N C 1.833 177.257 175.510 -0.142 0.000 1.030 285 N CA 1.758 54.759 53.050 -0.081 0.000 0.856 285 N CB -0.676 37.788 38.487 -0.039 0.000 1.023 285 N HN 0.473 nan 8.380 nan 0.000 0.424 286 A N 0.828 123.614 122.820 -0.057 0.000 2.024 286 A HA -0.065 4.255 4.320 0.000 0.000 0.220 286 A C 2.341 179.902 177.584 -0.039 0.000 1.164 286 A CA 0.936 52.966 52.037 -0.011 0.000 0.643 286 A CB -0.596 18.491 19.000 0.145 0.000 0.806 286 A HN 0.242 nan 8.150 nan 0.000 0.451 287 L N -1.197 119.997 121.223 -0.050 0.000 2.095 287 L HA -0.089 4.251 4.340 0.000 0.000 0.204 287 L C 3.087 179.693 176.870 -0.439 0.000 1.080 287 L CA 0.866 55.681 54.840 -0.041 0.000 0.759 287 L CB -0.611 41.563 42.059 0.192 0.000 0.914 287 L HN 0.398 nan 8.230 nan 0.000 0.439 288 A N 0.436 122.711 122.820 -0.908 0.000 1.858 288 A HA -0.195 4.125 4.320 0.000 0.000 0.216 288 A C 2.548 179.758 177.584 -0.622 0.000 1.190 288 A CA 1.885 53.143 52.037 -1.298 0.000 0.617 288 A CB -0.830 17.387 19.000 -1.306 0.000 0.827 288 A HN 0.378 nan 8.150 nan 0.000 0.443 289 A N -0.274 122.301 122.820 -0.409 0.000 1.940 289 A HA 0.131 4.451 4.320 0.000 0.000 0.219 289 A C 2.483 179.922 177.584 -0.242 0.000 1.176 289 A CA 2.201 54.078 52.037 -0.265 0.000 0.631 289 A CB -0.967 17.918 19.000 -0.190 0.000 0.814 289 A HN 1.091 nan 8.150 nan 0.000 0.446 290 A N -0.254 122.424 122.820 -0.237 0.000 1.930 290 A HA 0.205 4.525 4.320 0.000 0.000 0.217 290 A C 2.494 179.886 177.584 -0.319 0.000 1.175 290 A CA 1.957 53.896 52.037 -0.163 0.000 0.627 290 A CB -0.947 18.052 19.000 -0.002 0.000 0.815 290 A HN 1.000 nan 8.150 nan 0.000 0.443 291 A N -0.289 122.075 122.820 -0.759 0.000 1.858 291 A HA -0.037 4.283 4.320 0.000 0.000 0.216 291 A C 2.204 179.632 177.584 -0.260 0.000 1.190 291 A CA 1.438 52.819 52.037 -1.094 0.000 0.617 291 A CB -0.653 17.611 19.000 -1.225 0.000 0.827 291 A HN 0.452 nan 8.150 nan 0.000 0.443 292 L N 0.039 121.131 121.223 -0.218 0.000 2.012 292 L HA -0.125 4.215 4.340 0.000 0.000 0.210 292 L C 1.511 178.354 176.870 -0.045 0.000 1.073 292 L CA 0.903 55.694 54.840 -0.082 0.000 0.748 292 L CB -0.534 41.455 42.059 -0.116 0.000 0.891 292 L HN 0.326 nan 8.230 nan 0.000 0.431 296 V N 0.003 119.982 119.914 0.109 0.000 3.099 296 V HA 0.850 4.970 4.120 0.000 0.000 0.356 296 V C 1.358 177.558 176.094 0.177 0.000 1.364 296 V CA 0.438 62.821 62.300 0.139 0.000 1.229 296 V CB -0.683 31.253 31.823 0.188 0.000 1.227 296 V HN 1.556 nan 8.190 nan 0.000 0.493 297 G N -0.132 108.748 108.800 0.132 0.000 2.238 297 G HA2 -0.072 3.888 3.960 0.000 0.000 0.217 297 G HA3 -0.072 3.888 3.960 0.000 0.000 0.217 297 G C 0.654 175.594 174.900 0.067 0.000 0.996 297 G CA -0.051 45.123 45.100 0.123 0.000 0.632 297 G HN 1.790 nan 8.290 nan 0.000 0.503 298 A N 1.104 123.918 122.820 -0.010 0.000 2.587 298 A HA 0.504 4.824 4.320 0.000 0.000 0.233 298 A C 1.095 178.684 177.584 0.008 0.000 1.049 298 A CA 1.778 53.786 52.037 -0.048 0.000 0.754 298 A CB -0.085 18.854 19.000 -0.102 0.000 0.977 298 A HN 1.878 nan 8.150 nan 0.000 0.509 299 T N 0.776 115.328 114.554 -0.003 0.000 2.927 299 T HA 0.519 4.869 4.350 0.000 0.000 0.281 299 T C 1.287 175.980 174.700 -0.012 0.000 0.998 299 T CA -0.626 61.478 62.100 0.005 0.000 1.019 299 T CB 0.759 69.630 68.868 0.005 0.000 1.061 299 T HN 0.403 nan 8.240 nan 0.000 0.518 300 L N 0.339 121.554 121.223 -0.014 0.000 2.013 300 L HA -0.151 4.189 4.340 0.000 0.000 0.212 300 L C 2.320 179.163 176.870 -0.044 0.000 1.073 300 L CA 1.760 56.581 54.840 -0.032 0.000 0.753 300 L CB -0.762 41.274 42.059 -0.038 0.000 0.890 300 L HN 0.714 nan 8.230 nan 0.000 0.432 301 D N -0.022 120.356 120.400 -0.037 0.000 2.182 301 D HA -0.178 4.462 4.640 0.000 0.000 0.201 301 D C 2.177 178.450 176.300 -0.044 0.000 0.986 301 D CA 1.371 55.347 54.000 -0.040 0.000 0.847 301 D CB -0.085 40.699 40.800 -0.028 0.000 0.942 301 D HN 0.369 nan 8.370 nan 0.000 0.467 302 A N 0.064 122.859 122.820 -0.041 0.000 1.929 302 A HA -0.065 4.255 4.320 0.000 0.000 0.216 302 A C 2.184 179.728 177.584 -0.066 0.000 1.176 302 A CA 0.670 52.677 52.037 -0.051 0.000 0.628 302 A CB -0.520 18.448 19.000 -0.055 0.000 0.816 302 A HN 0.171 nan 8.150 nan 0.000 0.444 303 I N -0.500 120.031 120.570 -0.065 0.000 2.202 303 I HA -0.246 3.924 4.170 0.000 0.000 0.242 303 I C 2.539 178.604 176.117 -0.087 0.000 1.091 303 I CA 1.804 63.060 61.300 -0.074 0.000 1.368 303 I CB -0.230 37.736 38.000 -0.058 0.000 1.058 303 I HN 0.382 nan 8.210 nan 0.000 0.410 304 K N 1.430 121.775 120.400 -0.093 0.000 2.032 304 K HA -0.227 4.093 4.320 0.000 0.000 0.209 304 K C 2.132 178.677 176.600 -0.092 0.000 1.048 304 K CA 1.824 58.045 56.287 -0.110 0.000 0.927 304 K CB -0.160 32.276 32.500 -0.106 0.000 0.712 304 K HN 0.299 nan 8.250 nan 0.000 0.441 305 A N 0.437 123.213 122.820 -0.074 0.000 1.969 305 A HA 0.000 4.320 4.320 0.000 0.000 0.218 305 A C 2.298 179.845 177.584 -0.063 0.000 1.169 305 A CA 1.607 53.606 52.037 -0.062 0.000 0.635 305 A CB -0.900 18.071 19.000 -0.049 0.000 0.810 305 A HN 0.576 nan 8.150 nan 0.000 0.445 306 G N -0.242 108.516 108.800 -0.070 0.000 2.404 306 G HA2 -0.050 3.910 3.960 0.000 0.000 0.215 306 G HA3 -0.050 3.910 3.960 0.000 0.000 0.215 306 G C 1.346 176.201 174.900 -0.075 0.000 1.174 306 G CA 1.015 46.069 45.100 -0.076 0.000 0.780 306 G HN 0.320 nan 8.290 nan 0.000 0.537 307 L N 1.569 122.746 121.223 -0.076 0.000 2.046 307 L HA 0.109 4.449 4.340 0.000 0.000 0.208 307 L C 3.262 180.097 176.870 -0.058 0.000 1.077 307 L CA 1.465 56.266 54.840 -0.065 0.000 0.747 307 L CB -1.198 40.821 42.059 -0.067 0.000 0.896 307 L HN 0.297 nan 8.230 nan 0.000 0.432 308 A N 0.456 123.236 122.820 -0.066 0.000 2.139 308 A HA -0.209 4.111 4.320 0.000 0.000 0.221 308 A C 1.393 178.945 177.584 -0.053 0.000 1.159 308 A CA 1.846 53.845 52.037 -0.063 0.000 0.662 308 A CB -1.019 17.940 19.000 -0.069 0.000 0.796 308 A HN 0.712 nan 8.150 nan 0.000 0.463 309 N N -1.172 117.500 118.700 -0.047 0.000 2.338 309 N HA 0.324 5.064 4.740 0.000 0.000 0.251 309 N C -0.410 175.082 175.510 -0.030 0.000 1.199 309 N CA -0.346 52.682 53.050 -0.037 0.000 0.879 309 N CB -0.468 38.000 38.487 -0.032 0.000 1.159 309 N HN 0.328 nan 8.380 nan 0.000 0.514 310 L N 0.260 121.464 121.223 -0.032 0.000 2.439 310 L HA 0.307 4.647 4.340 0.000 0.000 0.269 310 L C 0.425 177.293 176.870 -0.002 0.000 1.179 310 L CA -0.097 54.729 54.840 -0.024 0.000 0.828 310 L CB 0.612 42.653 42.059 -0.030 0.000 1.106 310 L HN 0.052 nan 8.230 nan 0.000 0.467 311 K N 2.040 122.454 120.400 0.023 0.000 2.397 311 K HA 0.610 4.930 4.320 0.000 0.000 0.253 311 K C -0.625 176.047 176.600 0.121 0.000 0.932 311 K CA -0.554 55.776 56.287 0.073 0.000 0.795 311 K CB 2.150 34.708 32.500 0.096 0.000 1.159 311 K HN 0.632 nan 8.250 nan 0.000 0.424 312 A N 1.894 124.836 122.820 0.202 0.000 2.313 312 A HA 0.401 4.721 4.320 0.000 0.000 0.261 312 A C -0.158 177.621 177.584 0.325 0.000 1.090 312 A CA -0.491 51.712 52.037 0.276 0.000 0.807 312 A CB 0.468 19.654 19.000 0.309 0.000 1.055 312 A HN 0.382 nan 8.150 nan 0.000 0.492 313 V N 2.844 122.853 119.914 0.158 0.000 2.432 313 V HA 0.215 4.335 4.120 0.000 0.000 0.271 313 V C -2.112 173.883 176.094 -0.165 0.000 1.046 313 V CA -1.203 61.080 62.300 -0.028 0.000 0.945 313 V CB 0.893 32.686 31.823 -0.051 0.000 0.992 313 V HN 0.713 nan 8.190 nan 0.000 0.471 314 P HA 0.104 nan 4.420 nan 0.000 0.261 314 P C 0.963 178.126 177.300 -0.228 0.000 1.173 314 P CA 1.641 64.268 63.100 -0.788 0.000 0.760 314 P CB 0.433 31.703 31.700 -0.718 0.000 0.783 315 G N 2.641 111.411 108.800 -0.049 0.000 2.176 315 G HA2 -0.231 3.729 3.960 0.000 0.000 0.253 315 G HA3 -0.231 3.729 3.960 0.000 0.000 0.253 315 G C 0.074 175.060 174.900 0.142 0.000 0.979 315 G CA -0.447 44.715 45.100 0.104 0.000 0.641 315 G HN 0.573 nan 8.290 nan 0.000 0.530 316 R N -0.033 120.538 120.500 0.117 0.000 2.487 316 R HA 0.492 4.832 4.340 0.000 0.000 0.288 316 R C 0.774 177.175 176.300 0.168 0.000 1.394 316 R CA -0.769 55.400 56.100 0.115 0.000 1.155 316 R CB 0.498 30.822 30.300 0.040 0.000 1.156 316 R HN 0.554 nan 8.270 nan 0.000 0.553 317 L N 2.074 123.396 121.223 0.165 0.000 3.829 317 L HA -0.256 4.084 4.340 0.000 0.000 0.440 317 L C -0.203 176.772 176.870 0.174 0.000 1.192 317 L CA 0.555 55.485 54.840 0.149 0.000 0.848 317 L CB -1.214 40.930 42.059 0.141 0.000 1.744 317 L HN 0.470 nan 8.230 nan 0.000 0.920 318 F N 4.231 124.203 119.950 0.038 0.000 2.404 318 F HA 0.419 4.946 4.527 -0.000 0.000 0.359 318 F C -1.390 174.426 175.800 0.027 0.000 1.134 318 F CA -2.667 55.350 58.000 0.029 0.000 1.160 318 F CB 0.635 39.654 39.000 0.031 0.000 1.186 318 F HN -0.107 nan 8.300 nan 0.000 0.526 319 P HA 0.206 nan 4.420 nan 0.000 0.276 319 P C -0.771 176.240 177.300 -0.483 0.000 1.230 319 P CA 0.142 63.047 63.100 -0.326 0.000 0.776 319 P CB 1.456 33.019 31.700 -0.230 0.000 0.888 320 I N 2.390 122.822 120.570 -0.230 0.000 2.468 320 I HA 0.168 4.338 4.170 0.000 0.000 0.284 320 I C 0.134 176.206 176.117 -0.075 0.000 1.038 320 I CA -0.873 60.335 61.300 -0.153 0.000 1.083 320 I CB 2.118 40.101 38.000 -0.029 0.000 1.223 320 I HN 0.205 nan 8.210 nan 0.000 0.443 321 Q N 5.388 125.149 119.800 -0.064 0.000 2.324 321 Q HA 0.261 4.601 4.340 0.000 0.000 0.257 321 Q C 0.372 176.366 176.000 -0.011 0.000 1.080 321 Q CA 0.317 56.104 55.803 -0.028 0.000 0.907 321 Q CB 0.958 29.692 28.738 -0.008 0.000 1.274 321 Q HN 0.680 nan 8.270 nan 0.000 0.434 322 L N 1.859 123.078 121.223 -0.007 0.000 2.007 322 L HA 0.167 4.507 4.340 0.000 0.000 0.205 322 L C 0.822 177.694 176.870 0.003 0.000 1.073 322 L CA 1.091 55.932 54.840 0.001 0.000 0.744 322 L CB -0.254 41.806 42.059 0.003 0.000 0.898 322 L HN 0.688 nan 8.230 nan 0.000 0.435 323 A N -1.316 121.504 122.820 0.001 0.000 2.593 323 A HA 0.494 4.814 4.320 0.000 0.000 0.304 323 A C -1.222 176.364 177.584 0.003 0.000 1.233 323 A CA -0.657 51.382 52.037 0.003 0.000 0.661 323 A CB 0.396 19.397 19.000 0.001 0.000 1.338 323 A HN 0.029 nan 8.150 nan 0.000 0.495 324 E N 1.976 122.179 120.200 0.005 0.000 2.384 324 E HA 0.295 4.645 4.350 0.000 0.000 0.266 324 E C 0.026 176.621 176.600 -0.008 0.000 1.012 324 E CA 0.669 57.072 56.400 0.005 0.000 0.901 324 E CB -0.010 29.695 29.700 0.009 0.000 0.967 324 E HN 0.509 nan 8.360 nan 0.000 0.435 325 N N 1.842 120.527 118.700 -0.025 0.000 2.732 325 N HA -0.259 4.481 4.740 0.000 0.000 0.250 325 N C -0.862 174.632 175.510 -0.028 0.000 1.097 325 N CA 0.967 53.993 53.050 -0.040 0.000 0.812 325 N CB -0.745 37.727 38.487 -0.025 0.000 1.148 325 N HN 0.597 nan 8.380 nan 0.000 0.572 326 Q N 0.480 120.268 119.800 -0.021 0.000 2.506 326 Q HA 0.424 4.764 4.340 0.000 0.000 0.242 326 Q C -0.661 175.329 176.000 -0.016 0.000 1.060 326 Q CA -0.483 55.314 55.803 -0.010 0.000 0.826 326 Q CB 1.371 30.108 28.738 -0.003 0.000 1.169 326 Q HN 0.171 nan 8.270 nan 0.000 0.521 327 L N 3.362 124.572 121.223 -0.021 0.000 2.295 327 L HA 0.479 4.819 4.340 0.000 0.000 0.285 327 L C -1.355 175.508 176.870 -0.012 0.000 1.035 327 L CA -0.712 54.110 54.840 -0.030 0.000 0.806 327 L CB 1.121 43.149 42.059 -0.053 0.000 1.214 327 L HN 0.445 nan 8.230 nan 0.000 0.426 328 L N 5.927 127.142 121.223 -0.013 0.000 2.329 328 L HA 0.586 4.926 4.340 0.000 0.000 0.279 328 L C -1.389 175.483 176.870 0.003 0.000 1.014 328 L CA -0.178 54.667 54.840 0.008 0.000 0.814 328 L CB 1.457 43.528 42.059 0.020 0.000 1.257 328 L HN 0.570 nan 8.230 nan 0.000 0.424 329 L N 4.659 125.897 121.223 0.026 0.000 2.337 329 L HA 0.354 4.694 4.340 0.000 0.000 0.269 329 L C -0.783 176.138 176.870 0.085 0.000 1.018 329 L CA -0.663 54.202 54.840 0.040 0.000 0.876 329 L CB 1.214 43.293 42.059 0.033 0.000 1.236 329 L HN 0.580 nan 8.230 nan 0.000 0.436 330 D N 1.937 122.419 120.400 0.137 0.000 2.346 330 D HA 0.036 4.676 4.640 0.000 0.000 0.260 330 D C -0.044 176.362 176.300 0.176 0.000 1.252 330 D CA 0.460 54.566 54.000 0.177 0.000 0.895 330 D CB 0.869 41.839 40.800 0.284 0.000 1.097 330 D HN 0.366 nan 8.370 nan 0.000 0.489 331 D N 1.474 121.953 120.400 0.131 0.000 2.760 331 D HA 0.011 4.651 4.640 0.000 0.000 0.314 331 D C 0.711 177.082 176.300 0.118 0.000 1.464 331 D CA -0.028 54.049 54.000 0.128 0.000 0.797 331 D CB 0.021 40.884 40.800 0.105 0.000 1.149 331 D HN 0.224 nan 8.370 nan 0.000 0.455 332 S N -1.088 114.680 115.700 0.113 0.000 2.607 332 S HA -0.090 4.380 4.470 0.000 0.000 0.224 332 S C 1.795 176.438 174.600 0.073 0.000 0.969 332 S CA -0.231 58.016 58.200 0.079 0.000 0.927 332 S CB -0.472 62.764 63.200 0.060 0.000 0.772 332 S HN 0.371 nan 8.310 nan 0.000 0.533 333 Y N 2.337 122.649 120.300 0.020 0.000 2.089 333 Y HA 0.089 4.640 4.550 0.000 0.000 0.282 333 Y C 1.066 176.973 175.900 0.012 0.000 1.139 333 Y CA 1.769 59.875 58.100 0.010 0.000 1.123 333 Y CB 0.020 38.483 38.460 0.005 0.000 0.980 333 Y HN 0.384 nan 8.280 nan 0.000 0.493 334 N N -1.087 117.650 118.700 0.062 0.000 3.243 334 N HA 0.576 5.316 4.740 0.000 0.000 0.280 334 N C -2.117 173.420 175.510 0.044 0.000 1.545 334 N CA 0.024 53.066 53.050 -0.013 0.000 0.854 334 N CB 1.713 40.235 38.487 0.058 0.000 1.612 334 N HN 0.171 nan 8.380 nan 0.000 0.577 335 A N 0.814 123.646 122.820 0.021 0.000 2.560 335 A HA 0.501 4.821 4.320 0.000 0.000 0.300 335 A C -1.573 176.005 177.584 -0.010 0.000 1.062 335 A CA -0.702 51.343 52.037 0.013 0.000 0.767 335 A CB 0.278 19.286 19.000 0.014 0.000 1.288 335 A HN 0.858 nan 8.150 nan 0.000 0.396 336 N N -0.174 118.513 118.700 -0.022 0.000 2.697 336 N HA 0.608 5.348 4.740 0.000 0.000 0.272 336 N C 0.691 176.161 175.510 -0.067 0.000 1.381 336 N CA -0.368 52.655 53.050 -0.046 0.000 0.797 336 N CB 0.937 39.410 38.487 -0.024 0.000 1.523 336 N HN 0.418 nan 8.380 nan 0.000 0.518 337 V N -0.420 119.442 119.914 -0.087 0.000 2.250 337 V HA -0.208 3.912 4.120 0.000 0.000 0.250 337 V C 2.396 178.456 176.094 -0.057 0.000 1.060 337 V CA 2.397 64.644 62.300 -0.088 0.000 1.030 337 V CB -1.700 30.075 31.823 -0.080 0.000 0.643 337 V HN 0.885 nan 8.190 nan 0.000 0.445 338 G N 0.803 109.577 108.800 -0.043 0.000 2.480 338 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 338 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 338 G C 1.125 176.004 174.900 -0.035 0.000 1.200 338 G CA 1.332 46.410 45.100 -0.035 0.000 0.782 338 G HN 0.742 nan 8.290 nan 0.000 0.554 342 A N 1.572 124.382 122.820 -0.017 0.000 1.929 342 A HA 0.480 4.800 4.320 0.000 0.000 0.216 342 A C 2.463 180.051 177.584 0.006 0.000 1.176 342 A CA 2.051 54.081 52.037 -0.013 0.000 0.628 342 A CB -0.979 17.998 19.000 -0.039 0.000 0.816 342 A HN 0.633 nan 8.150 nan 0.000 0.444 343 A N -0.206 122.620 122.820 0.010 0.000 1.917 343 A HA -0.088 4.232 4.320 0.000 0.000 0.219 343 A C 2.215 179.812 177.584 0.021 0.000 1.182 343 A CA 2.015 54.068 52.037 0.026 0.000 0.633 343 A CB -1.088 17.928 19.000 0.027 0.000 0.819 343 A HN 0.450 nan 8.150 nan 0.000 0.448 344 V N -0.170 119.751 119.914 0.010 0.000 2.332 344 V HA -0.293 3.827 4.120 0.000 0.000 0.248 344 V C 2.763 178.860 176.094 0.005 0.000 1.055 344 V CA 2.187 64.490 62.300 0.005 0.000 1.038 344 V CB -0.806 31.016 31.823 -0.002 0.000 0.651 344 V HN 0.579 nan 8.190 nan 0.000 0.450 345 Q N -0.081 119.724 119.800 0.008 0.000 2.124 345 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 345 Q C 2.260 178.271 176.000 0.018 0.000 0.977 345 Q CA 1.805 57.615 55.803 0.011 0.000 0.850 345 Q CB -0.484 28.262 28.738 0.013 0.000 0.901 345 Q HN 0.585 nan 8.270 nan 0.000 0.429 346 V N 0.891 120.823 119.914 0.030 0.000 2.261 346 V HA -0.252 3.868 4.120 0.000 0.000 0.246 346 V C 2.527 178.633 176.094 0.019 0.000 1.047 346 V CA 1.492 63.814 62.300 0.036 0.000 1.015 346 V CB -0.727 31.130 31.823 0.057 0.000 0.642 346 V HN 0.317 nan 8.190 nan 0.000 0.446 347 L N 0.139 121.371 121.223 0.015 0.000 2.012 347 L HA -0.222 4.118 4.340 0.000 0.000 0.210 347 L C 2.709 179.576 176.870 -0.005 0.000 1.073 347 L CA 1.958 56.801 54.840 0.004 0.000 0.748 347 L CB -0.688 41.371 42.059 0.001 0.000 0.891 347 L HN 0.399 nan 8.230 nan 0.000 0.431 348 A N -0.573 122.244 122.820 -0.006 0.000 1.997 348 A HA -0.212 4.108 4.320 0.000 0.000 0.221 348 A C 1.210 178.791 177.584 -0.004 0.000 1.172 348 A CA 1.391 53.422 52.037 -0.010 0.000 0.645 348 A CB -0.480 18.515 19.000 -0.007 0.000 0.813 348 A HN 0.573 nan 8.150 nan 0.000 0.454 352 G N 0.795 109.616 108.800 0.036 0.000 2.593 352 G HA2 -0.192 3.768 3.960 0.000 0.000 0.237 352 G HA3 -0.192 3.768 3.960 0.000 0.000 0.237 352 G C -0.819 174.144 174.900 0.105 0.000 1.312 352 G CA -0.051 45.091 45.100 0.071 0.000 0.896 352 G HN 0.872 nan 8.290 nan 0.000 0.574 353 Y N 2.601 122.903 120.300 0.003 0.000 2.436 353 Y HA 0.573 5.123 4.550 0.000 0.000 0.336 353 Y C 1.201 177.106 175.900 0.009 0.000 1.049 353 Y CA -0.072 58.033 58.100 0.008 0.000 1.294 353 Y CB 0.436 38.902 38.460 0.010 0.000 1.179 353 Y HN 0.516 nan 8.280 nan 0.000 0.520 354 R N 5.178 125.543 120.500 -0.226 0.000 2.338 354 R HA 0.567 4.907 4.340 0.000 0.000 0.317 354 R C -1.483 174.709 176.300 -0.182 0.000 0.968 354 R CA -0.989 55.032 56.100 -0.132 0.000 0.849 354 R CB 1.573 31.814 30.300 -0.098 0.000 1.128 354 R HN 0.432 nan 8.270 nan 0.000 0.448 355 V N 4.686 124.584 119.914 -0.025 0.000 2.378 355 V HA 0.245 4.365 4.120 0.000 0.000 0.288 355 V C -0.584 175.525 176.094 0.025 0.000 1.016 355 V CA -0.882 61.428 62.300 0.017 0.000 0.840 355 V CB 1.494 33.388 31.823 0.119 0.000 0.994 355 V HN 0.530 nan 8.190 nan 0.000 0.431 356 L N 6.902 128.137 121.223 0.021 0.000 2.259 356 L HA 0.521 4.862 4.340 0.000 0.000 0.288 356 L C -0.262 176.643 176.870 0.058 0.000 1.051 356 L CA 0.301 55.161 54.840 0.033 0.000 0.824 356 L CB 1.173 43.246 42.059 0.024 0.000 1.206 356 L HN 0.478 nan 8.230 nan 0.000 0.429 357 V N 6.495 126.443 119.914 0.057 0.000 2.364 357 V HA 0.541 4.661 4.120 0.000 0.000 0.272 357 V C 0.041 176.175 176.094 0.067 0.000 1.036 357 V CA -0.217 62.120 62.300 0.063 0.000 0.880 357 V CB 1.311 33.157 31.823 0.039 0.000 0.991 357 V HN 0.637 nan 8.190 nan 0.000 0.460 358 V N 2.752 122.720 119.914 0.090 0.000 3.141 358 V HA 1.121 5.241 4.120 0.000 0.000 0.312 358 V C 0.041 176.202 176.094 0.111 0.000 1.157 358 V CA -0.301 62.055 62.300 0.093 0.000 1.041 358 V CB 1.973 33.853 31.823 0.096 0.000 1.071 358 V HN 0.879 nan 8.190 nan 0.000 0.441 359 G N 0.046 108.908 108.800 0.102 0.000 2.733 359 G HA2 0.608 4.568 3.960 0.000 0.000 0.288 359 G HA3 0.608 4.568 3.960 0.000 0.000 0.288 359 G C -1.269 173.706 174.900 0.124 0.000 1.373 359 G CA -0.713 44.451 45.100 0.107 0.000 0.895 359 G HN 0.788 nan 8.290 nan 0.000 0.479 363 E N -0.304 119.910 120.200 0.023 0.000 2.371 363 E HA 0.573 4.923 4.350 0.000 0.000 0.257 363 E C -0.715 175.904 176.600 0.032 0.000 1.134 363 E CA -0.132 56.275 56.400 0.012 0.000 0.919 363 E CB 1.037 30.733 29.700 -0.008 0.000 1.025 363 E HN 0.384 nan 8.360 nan 0.000 0.438 364 L N 0.172 121.407 121.223 0.020 0.000 2.346 364 L HA 0.502 4.842 4.340 0.000 0.000 0.274 364 L C 0.829 177.712 176.870 0.022 0.000 1.007 364 L CA 0.396 55.249 54.840 0.022 0.000 0.818 364 L CB 1.630 43.698 42.059 0.015 0.000 1.284 364 L HN 0.760 nan 8.230 nan 0.000 0.424 365 G N 1.796 110.610 108.800 0.023 0.000 2.601 365 G HA2 -0.155 3.805 3.960 0.000 0.000 0.261 365 G HA3 -0.155 3.805 3.960 0.000 0.000 0.261 365 G C 0.776 175.690 174.900 0.024 0.000 1.289 365 G CA 0.379 45.492 45.100 0.020 0.000 0.920 365 G HN 1.140 nan 8.290 nan 0.000 0.571 366 A N -0.960 121.871 122.820 0.018 0.000 2.121 366 A HA 0.224 4.544 4.320 0.000 0.000 0.218 366 A C 2.033 179.629 177.584 0.020 0.000 1.154 366 A CA 2.338 54.386 52.037 0.018 0.000 0.679 366 A CB -0.294 18.714 19.000 0.013 0.000 0.795 366 A HN 1.070 nan 8.150 nan 0.000 0.458 367 E N -0.312 119.899 120.200 0.018 0.000 2.427 367 E HA -0.029 4.321 4.350 0.000 0.000 0.196 367 E C 1.859 178.475 176.600 0.027 0.000 1.028 367 E CA 0.835 57.243 56.400 0.015 0.000 0.864 367 E CB -0.265 29.438 29.700 0.005 0.000 0.813 367 E HN 0.444 nan 8.360 nan 0.000 0.514 368 S N 0.313 116.044 115.700 0.051 0.000 2.353 368 S HA -0.292 4.178 4.470 0.000 0.000 0.222 368 S C 1.922 176.648 174.600 0.209 0.000 1.035 368 S CA 1.730 60.001 58.200 0.119 0.000 1.025 368 S CB -0.390 62.890 63.200 0.133 0.000 0.902 368 S HN 0.526 nan 8.310 nan 0.000 0.440 369 E N 0.983 121.247 120.200 0.107 0.000 2.049 369 E HA -0.171 4.179 4.350 0.000 0.000 0.198 369 E C 2.020 178.659 176.600 0.065 0.000 1.007 369 E CA 1.743 58.178 56.400 0.058 0.000 0.809 369 E CB -0.756 28.951 29.700 0.011 0.000 0.749 369 E HN 0.522 nan 8.360 nan 0.000 0.450 370 A N 0.263 123.106 122.820 0.039 0.000 1.908 370 A HA -0.217 4.103 4.320 0.000 0.000 0.218 370 A C 2.584 180.170 177.584 0.004 0.000 1.181 370 A CA 1.576 53.623 52.037 0.016 0.000 0.627 370 A CB -1.090 17.914 19.000 0.006 0.000 0.818 370 A HN 0.592 nan 8.150 nan 0.000 0.445 371 C N -1.491 117.801 119.300 -0.012 0.000 2.422 371 C HA -0.090 4.371 4.460 0.000 0.000 0.279 371 C C 2.553 177.453 174.990 -0.150 0.000 1.305 371 C CA 1.226 60.187 59.018 -0.095 0.000 1.757 371 C CB -1.700 25.948 27.740 -0.153 0.000 1.962 371 C HN 0.754 nan 8.230 nan 0.000 0.499 372 H N -0.591 118.445 119.070 -0.056 0.000 2.403 372 H HA -0.036 4.520 4.556 0.000 0.000 0.298 372 H C 2.180 177.467 175.328 -0.069 0.000 1.059 372 H CA 1.492 57.496 56.048 -0.073 0.000 1.363 372 H CB -0.224 29.465 29.762 -0.121 0.000 1.410 372 H HN 0.205 nan 8.280 nan 0.000 0.528 373 V N 0.897 120.840 119.914 0.048 0.000 2.287 373 V HA -0.316 3.804 4.120 0.000 0.000 0.248 373 V C 2.149 178.242 176.094 -0.002 0.000 1.053 373 V CA 1.959 64.265 62.300 0.010 0.000 1.027 373 V CB -0.525 31.299 31.823 0.003 0.000 0.646 373 V HN 0.497 nan 8.190 nan 0.000 0.447 374 Q N -0.495 119.297 119.800 -0.013 0.000 2.077 374 Q HA -0.208 4.132 4.340 0.000 0.000 0.206 374 Q C 2.323 178.310 176.000 -0.021 0.000 0.989 374 Q CA 2.181 57.972 55.803 -0.020 0.000 0.853 374 Q CB -0.426 28.293 28.738 -0.031 0.000 0.907 374 Q HN 0.580 nan 8.270 nan 0.000 0.418 375 V N 0.404 120.299 119.914 -0.031 0.000 2.343 375 V HA -0.212 3.908 4.120 0.000 0.000 0.247 375 V C 2.228 178.318 176.094 -0.007 0.000 1.051 375 V CA 1.915 64.199 62.300 -0.025 0.000 1.036 375 V CB -1.295 30.504 31.823 -0.040 0.000 0.654 375 V HN 0.538 nan 8.190 nan 0.000 0.451 376 G N -0.369 108.432 108.800 0.001 0.000 2.421 376 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 376 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 376 G C 1.463 176.362 174.900 -0.001 0.000 1.171 376 G CA 0.903 46.006 45.100 0.005 0.000 0.775 376 G HN 0.556 nan 8.290 nan 0.000 0.543 377 E N 0.430 120.627 120.200 -0.004 0.000 2.160 377 E HA -0.035 4.315 4.350 0.000 0.000 0.195 377 E C 2.837 179.433 176.600 -0.007 0.000 0.991 377 E CA 0.742 57.138 56.400 -0.005 0.000 0.810 377 E CB -0.144 29.552 29.700 -0.006 0.000 0.742 377 E HN 0.434 nan 8.360 nan 0.000 0.466 378 A N 1.165 123.979 122.820 -0.009 0.000 1.898 378 A HA -0.041 4.279 4.320 0.000 0.000 0.216 378 A C 2.348 179.926 177.584 -0.010 0.000 1.181 378 A CA 1.471 53.502 52.037 -0.010 0.000 0.620 378 A CB -0.503 18.489 19.000 -0.013 0.000 0.819 378 A HN 0.294 nan 8.150 nan 0.000 0.442 379 A N -0.020 122.795 122.820 -0.008 0.000 1.930 379 A HA -0.085 4.235 4.320 0.000 0.000 0.217 379 A C 2.035 179.610 177.584 -0.015 0.000 1.175 379 A CA 2.225 54.255 52.037 -0.011 0.000 0.627 379 A CB -0.364 18.632 19.000 -0.006 0.000 0.815 379 A HN 0.478 nan 8.150 nan 0.000 0.443 380 K N 0.647 121.041 120.400 -0.011 0.000 1.985 380 K HA -0.015 4.305 4.320 0.000 0.000 0.210 380 K C 1.932 178.525 176.600 -0.012 0.000 1.047 380 K CA 2.024 58.305 56.287 -0.010 0.000 0.932 380 K CB -0.745 31.752 32.500 -0.006 0.000 0.716 380 K HN 0.272 nan 8.250 nan 0.000 0.439 381 A N 0.246 123.060 122.820 -0.010 0.000 2.015 381 A HA 0.063 4.383 4.320 0.000 0.000 0.219 381 A C 2.235 179.812 177.584 -0.011 0.000 1.163 381 A CA 1.726 53.757 52.037 -0.010 0.000 0.646 381 A CB -0.816 18.179 19.000 -0.008 0.000 0.806 381 A HN 0.473 nan 8.150 nan 0.000 0.448 382 A N -1.660 121.152 122.820 -0.014 0.000 2.119 382 A HA 0.383 4.703 4.320 0.000 0.000 0.216 382 A C 1.829 179.400 177.584 -0.021 0.000 1.152 382 A CA 1.281 53.309 52.037 -0.015 0.000 0.708 382 A CB -0.847 18.144 19.000 -0.015 0.000 0.805 382 A HN 1.873 nan 8.150 nan 0.000 0.460 383 G N -0.715 108.070 108.800 -0.026 0.000 2.149 383 G HA2 -0.179 3.781 3.960 0.000 0.000 0.235 383 G HA3 -0.179 3.781 3.960 0.000 0.000 0.235 383 G C -0.025 174.839 174.900 -0.059 0.000 1.018 383 G CA 0.007 45.086 45.100 -0.035 0.000 0.728 383 G HN 0.301 nan 8.290 nan 0.000 0.508 384 I N 1.032 121.564 120.570 -0.062 0.000 2.683 384 I HA 0.066 4.236 4.170 0.000 0.000 0.286 384 I C 1.378 177.404 176.117 -0.153 0.000 1.175 384 I CA 0.381 61.624 61.300 -0.096 0.000 1.429 384 I CB 0.486 38.447 38.000 -0.065 0.000 1.371 384 I HN 0.162 nan 8.210 nan 0.000 0.569 385 D N 4.431 124.658 120.400 -0.288 0.000 2.219 385 D HA -0.041 4.599 4.640 0.000 0.000 0.205 385 D C 0.858 176.915 176.300 -0.405 0.000 0.970 385 D CA 1.117 54.828 54.000 -0.482 0.000 0.851 385 D CB 0.202 40.354 40.800 -1.079 0.000 0.943 385 D HN 0.489 nan 8.370 nan 0.000 0.488 386 R N -0.811 119.531 120.500 -0.264 0.000 2.728 386 R HA 0.358 4.698 4.340 0.000 0.000 0.259 386 R C -2.477 173.826 176.300 0.005 0.000 1.057 386 R CA -0.515 55.549 56.100 -0.060 0.000 0.908 386 R CB 1.041 31.382 30.300 0.067 0.000 1.259 386 R HN -0.168 nan 8.270 nan 0.000 0.472 387 V N 5.618 125.569 119.914 0.061 0.000 2.398 387 V HA 0.372 4.492 4.120 0.000 0.000 0.282 387 V C -0.375 175.811 176.094 0.155 0.000 1.014 387 V CA -0.649 61.702 62.300 0.086 0.000 0.838 387 V CB 1.338 33.200 31.823 0.064 0.000 1.018 387 V HN 0.556 nan 8.190 nan 0.000 0.432 388 L N 4.442 125.778 121.223 0.187 0.000 2.276 388 L HA 0.732 5.072 4.340 0.000 0.000 0.286 388 L C 0.476 177.520 176.870 0.291 0.000 1.061 388 L CA 0.092 55.120 54.840 0.313 0.000 0.807 388 L CB 1.548 43.749 42.059 0.236 0.000 1.177 388 L HN 0.755 nan 8.230 nan 0.000 0.429 389 S N 2.644 118.602 115.700 0.431 0.000 2.599 389 S HA 0.878 5.348 4.470 0.000 0.000 0.287 389 S C -0.862 174.022 174.600 0.475 0.000 1.105 389 S CA -0.694 57.746 58.200 0.401 0.000 0.899 389 S CB 2.470 65.894 63.200 0.374 0.000 1.100 389 S HN 0.249 nan 8.310 nan 0.000 0.482 390 V N 0.804 120.908 119.914 0.316 0.000 2.841 390 V HA 0.964 5.084 4.120 0.000 0.000 0.310 390 V C 0.508 176.763 176.094 0.268 0.000 1.090 390 V CA 0.360 62.759 62.300 0.165 0.000 0.930 390 V CB 1.161 33.029 31.823 0.075 0.000 1.014 390 V HN 1.745 nan 8.190 nan 0.000 0.425 391 G N 3.114 112.083 108.800 0.281 0.000 2.351 391 G HA2 0.078 4.038 3.960 0.000 0.000 0.353 391 G HA3 0.078 4.038 3.960 0.000 0.000 0.353 391 G C -0.551 174.541 174.900 0.320 0.000 1.358 391 G CA -0.562 44.680 45.100 0.238 0.000 0.995 391 G HN 0.583 nan 8.290 nan 0.000 0.611 392 K N -0.353 120.156 120.400 0.180 0.000 2.387 392 K HA 0.182 4.502 4.320 0.000 0.000 0.198 392 K C 1.205 177.902 176.600 0.162 0.000 1.022 392 K CA 0.268 56.671 56.287 0.193 0.000 1.128 392 K CB 0.415 32.976 32.500 0.102 0.000 0.853 392 K HN 0.375 nan 8.250 nan 0.000 0.523 393 Q N -1.237 118.527 119.800 -0.060 0.000 2.360 393 Q HA 0.032 4.372 4.340 0.000 0.000 0.261 393 Q C 1.661 177.173 176.000 -0.813 0.000 0.802 393 Q CA 0.541 56.031 55.803 -0.522 0.000 0.983 393 Q CB 0.799 29.160 28.738 -0.628 0.000 1.211 393 Q HN 0.202 nan 8.270 nan 0.000 0.523 394 S N 0.850 116.317 115.700 -0.388 0.000 2.547 394 S HA -0.150 4.320 4.470 0.000 0.000 0.235 394 S C 1.552 176.001 174.600 -0.252 0.000 0.980 394 S CA 1.247 59.336 58.200 -0.185 0.000 0.941 394 S CB -0.684 62.567 63.200 0.084 0.000 0.763 394 S HN 0.573 nan 8.310 nan 0.000 0.532 395 H N 1.005 119.784 119.070 -0.485 0.000 2.423 395 H HA 0.355 4.911 4.556 -0.000 0.000 0.297 395 H C 2.140 177.308 175.328 -0.267 0.000 1.075 395 H CA 0.822 56.468 56.048 -0.669 0.000 1.342 395 H CB -0.747 28.490 29.762 -0.876 0.000 1.395 395 H HN 0.435 nan 8.280 nan 0.000 0.530 396 A N 1.746 124.226 122.820 -0.567 0.000 1.940 396 A HA -0.126 4.194 4.320 0.000 0.000 0.219 396 A C 2.374 179.904 177.584 -0.090 0.000 1.176 396 A CA 1.756 53.629 52.037 -0.273 0.000 0.631 396 A CB -0.805 18.018 19.000 -0.296 0.000 0.814 396 A HN 0.492 nan 8.150 nan 0.000 0.446 397 I N 0.355 120.892 120.570 -0.055 0.000 2.110 397 I HA -0.242 3.928 4.170 0.000 0.000 0.236 397 I C 2.948 179.072 176.117 0.012 0.000 1.068 397 I CA 1.653 62.960 61.300 0.012 0.000 1.333 397 I CB -0.650 37.384 38.000 0.056 0.000 1.054 397 I HN 0.490 nan 8.210 nan 0.000 0.402 398 S N 0.041 115.755 115.700 0.023 0.000 2.383 398 S HA -0.198 4.272 4.470 0.000 0.000 0.229 398 S C 1.952 176.566 174.600 0.024 0.000 1.030 398 S CA 1.934 60.160 58.200 0.044 0.000 1.002 398 S CB -1.112 62.142 63.200 0.090 0.000 0.829 398 S HN 0.399 nan 8.310 nan 0.000 0.467 399 T N 2.879 117.437 114.554 0.007 0.000 2.643 399 T HA 0.059 4.409 4.350 0.000 0.000 0.264 399 T C 2.244 176.948 174.700 0.006 0.000 1.045 399 T CA 1.561 63.666 62.100 0.009 0.000 1.155 399 T CB -0.919 67.956 68.868 0.012 0.000 0.863 399 T HN 0.633 nan 8.240 nan 0.000 0.420 400 A N 1.778 124.599 122.820 0.001 0.000 2.070 400 A HA -0.082 4.238 4.320 0.000 0.000 0.220 400 A C 2.437 180.023 177.584 0.003 0.000 1.159 400 A CA 1.916 53.954 52.037 0.001 0.000 0.656 400 A CB -0.764 18.235 19.000 -0.002 0.000 0.800 400 A HN 0.607 nan 8.150 nan 0.000 0.453 401 S N -1.436 114.268 115.700 0.006 0.000 2.555 401 S HA 0.282 4.752 4.470 0.000 0.000 0.230 401 S C 1.512 176.115 174.600 0.004 0.000 0.978 401 S CA 1.013 59.216 58.200 0.005 0.000 0.934 401 S CB -0.750 62.455 63.200 0.010 0.000 0.766 401 S HN 1.899 nan 8.310 nan 0.000 0.533 402 G N 0.019 108.823 108.800 0.007 0.000 2.203 402 G HA2 -0.194 3.766 3.960 0.000 0.000 0.263 402 G HA3 -0.194 3.766 3.960 0.000 0.000 0.263 402 G C 0.022 174.929 174.900 0.012 0.000 1.012 402 G CA 0.493 45.597 45.100 0.008 0.000 0.749 402 G HN 1.419 nan 8.290 nan 0.000 0.512 403 V N -2.084 117.840 119.914 0.017 0.000 3.301 403 V HA 0.859 4.979 4.120 0.000 0.000 0.291 403 V C 0.553 176.672 176.094 0.041 0.000 1.549 403 V CA 1.141 63.456 62.300 0.026 0.000 1.061 403 V CB 1.604 33.434 31.823 0.011 0.000 1.154 403 V HN 2.460 nan 8.190 nan 0.000 0.466 404 G N 2.224 111.061 108.800 0.063 0.000 2.781 404 G HA2 0.147 4.107 3.960 0.000 0.000 0.683 404 G HA3 0.147 4.107 3.960 0.000 0.000 0.683 404 G C -0.879 174.069 174.900 0.081 0.000 1.390 404 G CA 0.205 45.361 45.100 0.093 0.000 0.850 404 G HN 1.702 nan 8.290 nan 0.000 0.557 405 E N -0.754 119.512 120.200 0.109 0.000 2.429 405 E HA 0.640 4.990 4.350 0.000 0.000 0.276 405 E C -1.061 175.543 176.600 0.006 0.000 0.953 405 E CA -1.058 55.339 56.400 -0.004 0.000 0.787 405 E CB 2.265 31.899 29.700 -0.110 0.000 1.307 405 E HN 0.765 nan 8.360 nan 0.000 0.458 406 H N 0.108 118.990 119.070 -0.313 0.000 2.573 406 H HA 0.642 5.198 4.556 0.000 0.000 0.351 406 H C -1.664 173.298 175.328 -0.611 0.000 1.163 406 H CA -0.621 55.296 56.048 -0.218 0.000 1.205 406 H CB 1.010 30.740 29.762 -0.052 0.000 1.605 406 H HN 0.396 nan 8.280 nan 0.000 0.525 407 F N 0.875 120.515 119.950 -0.516 0.000 2.588 407 F HA 0.503 5.030 4.527 0.000 0.000 0.314 407 F C 0.940 176.458 175.800 -0.470 0.000 1.069 407 F CA -0.496 57.291 58.000 -0.355 0.000 0.931 407 F CB 1.821 40.718 39.000 -0.172 0.000 1.260 407 F HN 0.672 nan 8.300 nan 0.000 0.465 408 A N 0.227 123.006 122.820 -0.068 0.000 2.178 408 A HA 0.247 4.567 4.320 0.000 0.000 0.211 408 A C -0.392 177.185 177.584 -0.011 0.000 1.157 408 A CA 1.032 53.032 52.037 -0.061 0.000 0.780 408 A CB -0.909 18.075 19.000 -0.028 0.000 0.828 408 A HN 0.814 nan 8.150 nan 0.000 0.476 409 D N -3.864 116.549 120.400 0.022 0.000 2.599 409 D HA 0.340 4.980 4.640 0.000 0.000 0.252 409 D C 0.046 176.341 176.300 -0.008 0.000 1.232 409 D CA -0.763 53.243 54.000 0.010 0.000 0.819 409 D CB 0.644 41.449 40.800 0.008 0.000 1.401 409 D HN -0.147 nan 8.370 nan 0.000 0.429 410 K N -0.629 119.754 120.400 -0.029 0.000 2.217 410 K HA -0.032 4.288 4.320 0.000 0.000 0.202 410 K C 1.392 177.932 176.600 -0.100 0.000 1.051 410 K CA 1.462 57.708 56.287 -0.068 0.000 0.952 410 K CB -0.242 32.232 32.500 -0.043 0.000 0.736 410 K HN 0.525 nan 8.250 nan 0.000 0.453 411 T N 0.912 115.429 114.554 -0.061 0.000 2.821 411 T HA -0.112 4.238 4.350 0.000 0.000 0.267 411 T C 2.082 176.734 174.700 -0.080 0.000 1.046 411 T CA 1.240 63.305 62.100 -0.058 0.000 1.139 411 T CB -0.183 68.670 68.868 -0.026 0.000 0.871 411 T HN 0.262 nan 8.240 nan 0.000 0.454 412 A N 1.088 123.870 122.820 -0.063 0.000 1.968 412 A HA 0.197 4.517 4.320 0.000 0.000 0.217 412 A C 2.259 179.645 177.584 -0.331 0.000 1.169 412 A CA 0.656 52.677 52.037 -0.027 0.000 0.638 412 A CB -0.714 18.399 19.000 0.188 0.000 0.812 412 A HN 0.469 nan 8.150 nan 0.000 0.446 413 L N -0.195 120.642 121.223 -0.644 0.000 2.005 413 L HA -0.155 4.185 4.340 0.000 0.000 0.207 413 L C 2.396 178.952 176.870 -0.523 0.000 1.072 413 L CA 1.767 55.939 54.840 -1.113 0.000 0.744 413 L CB -0.367 41.254 42.059 -0.730 0.000 0.895 413 L HN 0.434 nan 8.230 nan 0.000 0.433 414 I N -0.350 120.049 120.570 -0.284 0.000 2.194 414 I HA -0.343 3.827 4.170 0.000 0.000 0.246 414 I C 2.416 178.459 176.117 -0.124 0.000 1.093 414 I CA 1.862 63.069 61.300 -0.157 0.000 1.355 414 I CB -0.830 37.112 38.000 -0.096 0.000 1.046 414 I HN 0.308 nan 8.210 nan 0.000 0.413 415 T N 0.357 114.841 114.554 -0.116 0.000 2.652 415 T HA -0.197 4.153 4.350 0.000 0.000 0.267 415 T C 2.103 176.774 174.700 -0.048 0.000 1.039 415 T CA 1.172 63.235 62.100 -0.061 0.000 1.153 415 T CB -0.295 68.555 68.868 -0.031 0.000 0.863 415 T HN 0.217 nan 8.240 nan 0.000 0.428 416 R N 0.823 121.282 120.500 -0.068 0.000 2.115 416 R HA 0.092 4.432 4.340 0.000 0.000 0.230 416 R C 2.364 178.658 176.300 -0.010 0.000 1.111 416 R CA 0.826 56.932 56.100 0.010 0.000 0.976 416 R CB -0.854 29.530 30.300 0.139 0.000 0.870 416 R HN 0.427 nan 8.270 nan 0.000 0.445 417 L N 0.724 121.899 121.223 -0.080 0.000 2.005 417 L HA -0.170 4.170 4.340 0.000 0.000 0.207 417 L C 2.273 179.132 176.870 -0.019 0.000 1.072 417 L CA 1.544 56.358 54.840 -0.043 0.000 0.744 417 L CB -0.218 41.794 42.059 -0.079 0.000 0.895 417 L HN 0.105 nan 8.230 nan 0.000 0.433 418 K N -0.269 120.113 120.400 -0.030 0.000 2.074 418 K HA -0.223 4.097 4.320 0.000 0.000 0.209 418 K C 2.002 178.594 176.600 -0.012 0.000 1.048 418 K CA 1.536 57.812 56.287 -0.018 0.000 0.926 418 K CB -0.242 32.245 32.500 -0.020 0.000 0.713 418 K HN 0.321 nan 8.250 nan 0.000 0.444 419 L N 0.733 121.950 121.223 -0.009 0.000 1.994 419 L HA -0.213 4.127 4.340 0.000 0.000 0.208 419 L C 2.485 179.345 176.870 -0.017 0.000 1.071 419 L CA 1.153 55.988 54.840 -0.007 0.000 0.745 419 L CB -0.577 41.486 42.059 0.005 0.000 0.892 419 L HN 0.246 nan 8.230 nan 0.000 0.431 420 L N -0.071 121.147 121.223 -0.008 0.000 2.081 420 L HA -0.270 4.070 4.340 0.000 0.000 0.212 420 L C 2.551 179.393 176.870 -0.046 0.000 1.080 420 L CA 1.508 56.331 54.840 -0.027 0.000 0.754 420 L CB -0.180 41.899 42.059 0.034 0.000 0.893 420 L HN 0.256 nan 8.230 nan 0.000 0.433 421 I N -0.652 119.909 120.570 -0.016 0.000 2.226 421 I HA -0.270 3.900 4.170 0.000 0.000 0.245 421 I C 2.656 178.757 176.117 -0.026 0.000 1.100 421 I CA 1.213 62.506 61.300 -0.012 0.000 1.374 421 I CB -0.416 37.583 38.000 -0.001 0.000 1.057 421 I HN 0.223 nan 8.210 nan 0.000 0.413 422 A N 0.017 122.821 122.820 -0.027 0.000 2.014 422 A HA -0.203 4.117 4.320 0.000 0.000 0.218 422 A C 2.316 179.875 177.584 -0.041 0.000 1.163 422 A CA 1.457 53.478 52.037 -0.027 0.000 0.652 422 A CB -0.475 18.513 19.000 -0.020 0.000 0.808 422 A HN 0.509 nan 8.150 nan 0.000 0.449 423 E N -0.585 119.580 120.200 -0.059 0.000 2.112 423 E HA -0.107 4.243 4.350 0.000 0.000 0.190 423 E C 0.052 176.580 176.600 -0.119 0.000 0.979 423 E CA 0.516 56.866 56.400 -0.085 0.000 0.814 423 E CB 0.018 29.659 29.700 -0.100 0.000 0.762 423 E HN 0.442 nan 8.360 nan 0.000 0.460 424 Q N 1.000 120.715 119.800 -0.142 0.000 2.372 424 Q HA 0.050 4.390 4.340 0.000 0.000 0.259 424 Q C 0.452 176.412 176.000 -0.066 0.000 0.993 424 Q CA -0.149 55.562 55.803 -0.153 0.000 0.854 424 Q CB 1.704 30.287 28.738 -0.258 0.000 1.231 424 Q HN 0.434 nan 8.270 nan 0.000 0.462 425 Q N 0.511 120.283 119.800 -0.046 0.000 2.297 425 Q HA 0.015 4.355 4.340 0.000 0.000 0.204 425 Q C 0.061 176.057 176.000 -0.008 0.000 0.962 425 Q CA 0.886 56.676 55.803 -0.022 0.000 0.879 425 Q CB 0.303 29.031 28.738 -0.018 0.000 0.947 425 Q HN 0.203 nan 8.270 nan 0.000 0.462 426 V N 2.778 122.694 119.914 0.003 0.000 2.276 426 V HA 0.348 4.468 4.120 0.000 0.000 0.268 426 V C -0.925 175.205 176.094 0.061 0.000 1.032 426 V CA -0.869 61.444 62.300 0.022 0.000 0.810 426 V CB 0.509 32.348 31.823 0.027 0.000 1.060 426 V HN 0.273 nan 8.190 nan 0.000 0.446 427 I N 1.098 121.702 120.570 0.057 0.000 2.608 427 I HA 0.811 4.981 4.170 0.000 0.000 0.295 427 I C -0.046 176.109 176.117 0.062 0.000 1.049 427 I CA -0.724 60.639 61.300 0.106 0.000 1.063 427 I CB 2.183 40.259 38.000 0.126 0.000 1.248 427 I HN 0.165 nan 8.210 nan 0.000 0.424 428 T N 5.889 120.482 114.554 0.065 0.000 2.786 428 T HA 0.715 5.065 4.350 0.000 0.000 0.283 428 T C -0.227 174.497 174.700 0.039 0.000 0.992 428 T CA -0.199 61.918 62.100 0.029 0.000 0.954 428 T CB 0.759 69.632 68.868 0.008 0.000 0.934 428 T HN 0.424 nan 8.240 nan 0.000 0.440 429 I N 3.480 124.071 120.570 0.034 0.000 2.441 429 I HA 0.529 4.699 4.170 0.000 0.000 0.295 429 I C -0.758 175.380 176.117 0.034 0.000 0.994 429 I CA -1.018 60.306 61.300 0.040 0.000 1.144 429 I CB 2.097 40.123 38.000 0.043 0.000 1.314 429 I HN 0.356 nan 8.210 nan 0.000 0.445 430 L N 7.144 128.390 121.223 0.037 0.000 2.372 430 L HA 0.519 4.859 4.340 0.000 0.000 0.273 430 L C -1.083 175.815 176.870 0.047 0.000 0.989 430 L CA -0.519 54.346 54.840 0.042 0.000 0.841 430 L CB 1.467 43.548 42.059 0.037 0.000 1.225 430 L HN 0.301 nan 8.230 nan 0.000 0.414 431 V N 4.970 124.916 119.914 0.053 0.000 2.407 431 V HA 0.552 4.672 4.120 0.000 0.000 0.278 431 V C -0.171 175.959 176.094 0.059 0.000 1.037 431 V CA -0.493 61.839 62.300 0.052 0.000 0.900 431 V CB 1.420 33.272 31.823 0.049 0.000 0.983 431 V HN 0.713 nan 8.190 nan 0.000 0.459 432 K N 2.852 123.285 120.400 0.055 0.000 2.557 432 K HA 0.707 5.027 4.320 0.000 0.000 0.261 432 K C -0.624 176.006 176.600 0.050 0.000 0.932 432 K CA -0.206 56.114 56.287 0.055 0.000 0.829 432 K CB 2.351 34.884 32.500 0.055 0.000 1.358 432 K HN 0.938 nan 8.250 nan 0.000 0.430 433 G N 0.695 109.519 108.800 0.040 0.000 2.550 433 G HA2 0.346 4.306 3.960 0.000 0.000 0.293 433 G HA3 0.346 4.306 3.960 0.000 0.000 0.293 433 G C -1.121 173.785 174.900 0.011 0.000 1.402 433 G CA -0.566 44.556 45.100 0.037 0.000 0.784 433 G HN 0.672 nan 8.290 nan 0.000 0.482 434 S N -0.201 115.505 115.700 0.009 0.000 2.608 434 S HA 0.329 4.799 4.470 0.000 0.000 0.261 434 S C 1.466 176.024 174.600 -0.069 0.000 1.314 434 S CA -0.319 57.867 58.200 -0.024 0.000 0.992 434 S CB 1.569 64.768 63.200 -0.001 0.000 0.935 434 S HN 0.580 nan 8.310 nan 0.000 0.564 435 R N 1.278 121.700 120.500 -0.129 0.000 2.080 435 R HA -0.105 4.235 4.340 0.000 0.000 0.236 435 R C 2.764 179.004 176.300 -0.099 0.000 1.137 435 R CA 2.058 58.048 56.100 -0.184 0.000 0.943 435 R CB -1.731 28.429 30.300 -0.233 0.000 0.846 435 R HN 0.957 nan 8.270 nan 0.000 0.431 436 S N 0.212 115.875 115.700 -0.061 0.000 2.419 436 S HA -0.086 4.384 4.470 0.000 0.000 0.235 436 S C 2.086 176.676 174.600 -0.016 0.000 1.019 436 S CA 1.091 59.272 58.200 -0.031 0.000 0.982 436 S CB -0.214 62.978 63.200 -0.014 0.000 0.789 436 S HN 0.369 nan 8.310 nan 0.000 0.490 437 A N 1.955 124.769 122.820 -0.011 0.000 2.014 437 A HA 0.514 4.834 4.320 0.000 0.000 0.218 437 A C 1.361 178.944 177.584 -0.002 0.000 1.163 437 A CA 0.952 52.993 52.037 0.007 0.000 0.652 437 A CB -1.298 17.717 19.000 0.025 0.000 0.808 437 A HN 1.732 nan 8.150 nan 0.000 0.449 441 E N 1.722 121.925 120.200 0.005 0.000 2.130 441 E HA -0.096 4.254 4.350 0.000 0.000 0.196 441 E C 2.074 178.673 176.600 -0.003 0.000 0.998 441 E CA 1.981 58.382 56.400 0.000 0.000 0.806 441 E CB 0.036 29.732 29.700 -0.005 0.000 0.738 441 E HN 0.096 nan 8.360 nan 0.000 0.459 442 V N 0.699 120.611 119.914 -0.004 0.000 2.453 442 V HA -0.196 3.924 4.120 0.000 0.000 0.247 442 V C 2.255 178.350 176.094 0.003 0.000 1.048 442 V CA 1.170 63.462 62.300 -0.013 0.000 1.049 442 V CB -0.164 31.649 31.823 -0.017 0.000 0.672 442 V HN 0.135 nan 8.190 nan 0.000 0.457 443 V N -0.132 119.794 119.914 0.020 0.000 2.358 443 V HA -0.172 3.948 4.120 0.000 0.000 0.246 443 V C 2.685 178.801 176.094 0.036 0.000 1.047 443 V CA 1.639 63.962 62.300 0.038 0.000 1.035 443 V CB -0.796 31.064 31.823 0.061 0.000 0.658 443 V HN 0.427 nan 8.190 nan 0.000 0.452 444 R N 0.748 121.265 120.500 0.028 0.000 2.070 444 R HA -0.100 4.240 4.340 0.000 0.000 0.233 444 R C 2.501 178.811 176.300 0.017 0.000 1.137 444 R CA 1.693 57.807 56.100 0.025 0.000 0.945 444 R CB -1.301 29.009 30.300 0.016 0.000 0.845 444 R HN 0.512 nan 8.270 nan 0.000 0.430 445 A N 1.551 124.376 122.820 0.007 0.000 1.948 445 A HA -0.153 4.167 4.320 0.000 0.000 0.220 445 A C 2.415 179.999 177.584 -0.000 0.000 1.177 445 A CA 1.395 53.431 52.037 -0.001 0.000 0.636 445 A CB -0.690 18.302 19.000 -0.013 0.000 0.815 445 A HN 0.221 nan 8.150 nan 0.000 0.449 446 L N -0.683 120.542 121.223 0.004 0.000 2.201 446 L HA -0.127 4.213 4.340 0.000 0.000 0.212 446 L C 1.769 178.646 176.870 0.012 0.000 1.105 446 L CA 1.033 55.876 54.840 0.005 0.000 0.775 446 L CB -0.384 41.681 42.059 0.009 0.000 0.913 446 L HN 0.730 nan 8.230 nan 0.000 0.440 447 Q N 0.000 119.812 119.800 0.020 0.000 2.315 447 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 447 Q CA 0.000 55.818 55.803 0.025 0.000 1.022 447 Q CB 0.000 28.762 28.738 0.040 0.000 1.108 447 Q HN 0.000 nan 8.270 nan 0.000 0.481