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 2ops_1_A DATA FIRST_RESID 2 DATA SEQUENCE ISPIETVPVK LKPGMDGPKV KQWPLTEEKI KALVEICTEM EKEGKISKIG DATA SEQUENCE PENPYNTPVF AIXXXXXXKW RKLVDFRELN KRTQDFWEVQ LGIPHPAGLK DATA SEQUENCE KKKSVTVLDV GDAYFSVPLD EDFRKYTAFT IPSINNETPG IRYQYNVLPQ DATA SEQUENCE GWKGSPAIFQ SSMTKILEPF RKQNPDIVIY QYMDDLCVGS DLEIGQHRTK DATA SEQUENCE IEELRQHLLR WGLTTPDKKH QKEPPFLWMG YELHPDKWTV QPIVLPEKDS DATA SEQUENCE WTVNDIQKLV GKLNWASQIY PGIKVRQLXK LLRGTKALTE VIPLTEEAEL DATA SEQUENCE ELAENREILK EPVHGVYYDP SKDLIAEIQK QGQGQWTYQI YQEPFKNLKT DATA SEQUENCE GKYARMRGAH TNDVKQLTEA VQKITTESIV IWGKTPKFKL PIQKETWETW DATA SEQUENCE WTEYWQATWI PEWEFVNTPP LVKLWYQLEK EPIVGAETFY VDGAANRETK DATA SEQUENCE LGKAGYVTNR GRQKVVTLTD TTNQKTELQA IYLALQDSGL EVNIVTDSQY DATA SEQUENCE ALGIIQAQPD QSESELVNQI IEQLIKKEKV YLAWVPAHKG IG 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 0.000 176.142 176.117 0.041 0.000 1.063 2 I CA 0.000 61.320 61.300 0.034 0.000 1.566 2 I CB 0.000 38.023 38.000 0.038 0.000 1.214 3 S N 1.363 117.095 115.700 0.054 0.000 2.503 3 S HA 0.563 5.049 4.470 0.025 0.000 0.301 3 S C -1.978 172.674 174.600 0.087 0.000 1.087 3 S CA -1.055 57.188 58.200 0.072 0.000 1.042 3 S CB 1.616 64.868 63.200 0.087 0.000 1.043 3 S HN -0.048 nan 8.310 nan 0.000 0.489 4 P HA 0.060 nan 4.420 nan 0.000 0.218 4 P C -0.071 177.404 177.300 0.291 0.000 1.149 4 P CA 0.759 63.951 63.100 0.154 0.000 0.817 4 P CB -0.084 31.675 31.700 0.100 0.000 0.785 5 I N -0.304 120.424 120.570 0.264 0.000 2.441 5 I HA 0.239 4.424 4.170 0.025 0.000 0.287 5 I C 0.546 176.719 176.117 0.092 0.000 1.049 5 I CA -1.021 60.382 61.300 0.172 0.000 1.381 5 I CB 0.270 38.314 38.000 0.073 0.000 1.409 5 I HN -0.110 nan 8.210 nan 0.000 0.523 6 E N 4.934 125.173 120.200 0.064 0.000 2.414 6 E HA 0.087 4.452 4.350 0.025 0.000 0.263 6 E C -0.074 176.536 176.600 0.018 0.000 1.000 6 E CA -0.156 56.269 56.400 0.040 0.000 0.914 6 E CB 0.721 30.437 29.700 0.027 0.000 0.948 6 E HN 0.773 nan 8.360 nan 0.000 0.444 7 T N 0.568 115.137 114.554 0.025 0.000 2.913 7 T HA 0.454 4.819 4.350 0.025 0.000 0.287 7 T C -0.139 174.571 174.700 0.018 0.000 1.008 7 T CA -1.006 61.105 62.100 0.020 0.000 1.067 7 T CB 1.109 69.997 68.868 0.032 0.000 0.996 7 T HN 0.181 nan 8.240 nan 0.000 0.513 8 V N 4.535 124.459 119.914 0.017 0.000 2.407 8 V HA 0.373 4.508 4.120 0.025 0.000 0.278 8 V C -1.861 174.261 176.094 0.048 0.000 1.037 8 V CA -2.025 60.292 62.300 0.028 0.000 0.900 8 V CB 0.846 32.687 31.823 0.031 0.000 0.983 8 V HN 0.861 nan 8.190 nan 0.000 0.459 9 P HA 0.146 nan 4.420 nan 0.000 0.264 9 P C -0.629 176.702 177.300 0.053 0.000 1.229 9 P CA 0.240 63.373 63.100 0.055 0.000 0.780 9 P CB 0.892 32.618 31.700 0.043 0.000 0.808 10 V N 5.209 125.150 119.914 0.044 0.000 2.630 10 V HA 0.457 4.592 4.120 0.025 0.000 0.305 10 V C 0.531 176.652 176.094 0.045 0.000 1.046 10 V CA -0.470 61.805 62.300 -0.042 0.000 0.934 10 V CB 1.975 33.607 31.823 -0.318 0.000 1.003 10 V HN 0.466 nan 8.190 nan 0.000 0.451 11 K N 3.133 123.535 120.400 0.003 0.000 2.477 11 K HA 0.647 4.982 4.320 0.025 0.000 0.255 11 K C -1.511 175.158 176.600 0.115 0.000 0.952 11 K CA -0.882 55.471 56.287 0.110 0.000 0.826 11 K CB 2.736 35.251 32.500 0.025 0.000 1.331 11 K HN 0.402 nan 8.250 nan 0.000 0.437 12 L N 2.346 123.620 121.223 0.085 0.000 2.350 12 L HA 0.279 4.634 4.340 0.025 0.000 0.275 12 L C 0.374 177.231 176.870 -0.023 0.000 1.099 12 L CA -0.537 54.306 54.840 0.004 0.000 0.808 12 L CB 0.580 42.528 42.059 -0.186 0.000 1.149 12 L HN 0.404 nan 8.230 nan 0.000 0.442 13 K N 2.721 123.105 120.400 -0.026 0.000 2.591 13 K HA -0.056 4.279 4.320 0.025 0.000 0.280 13 K C -2.244 174.343 176.600 -0.022 0.000 0.964 13 K CA -0.963 55.303 56.287 -0.035 0.000 1.014 13 K CB -0.305 32.181 32.500 -0.024 0.000 0.877 13 K HN 0.287 nan 8.250 nan 0.000 0.502 14 P HA -0.083 nan 4.420 nan 0.000 0.265 14 P C 0.723 178.023 177.300 -0.000 0.000 1.193 14 P CA 1.015 64.110 63.100 -0.008 0.000 0.765 14 P CB 0.729 32.423 31.700 -0.009 0.000 0.823 15 G N 2.030 110.835 108.800 0.008 0.000 2.498 15 G HA2 -0.299 3.676 3.960 0.025 0.000 0.229 15 G HA3 -0.299 3.676 3.960 0.025 0.000 0.229 15 G C 0.389 175.301 174.900 0.020 0.000 1.156 15 G CA 0.109 45.218 45.100 0.015 0.000 0.680 15 G HN 0.466 nan 8.290 nan 0.000 0.512 16 M N 0.679 120.287 119.600 0.013 0.000 2.157 16 M HA 0.555 5.050 4.480 0.025 0.000 0.304 16 M C 0.186 176.494 176.300 0.013 0.000 1.171 16 M CA 0.338 55.649 55.300 0.018 0.000 1.157 16 M CB 0.534 33.141 32.600 0.011 0.000 1.403 16 M HN 0.326 nan 8.290 nan 0.000 0.473 17 D N -0.792 119.629 120.400 0.034 0.000 2.559 17 D HA 0.511 5.166 4.640 0.025 0.000 0.250 17 D C -0.477 175.844 176.300 0.035 0.000 1.135 17 D CA -0.206 53.828 54.000 0.056 0.000 0.955 17 D CB 1.481 42.383 40.800 0.170 0.000 1.442 17 D HN 0.676 nan 8.370 nan 0.000 0.471 18 G N 0.706 109.492 108.800 -0.023 0.000 2.647 18 G HA2 0.285 4.260 3.960 0.025 0.000 0.234 18 G HA3 0.285 4.260 3.960 0.025 0.000 0.234 18 G C -2.255 172.808 174.900 0.272 0.000 1.252 18 G CA -0.622 44.405 45.100 -0.121 0.000 0.846 18 G HN 0.362 nan 8.290 nan 0.000 0.589 19 P HA 0.164 nan 4.420 nan 0.000 0.268 19 P C -0.196 177.280 177.300 0.293 0.000 1.208 19 P CA 0.128 63.380 63.100 0.254 0.000 0.777 19 P CB 0.502 32.342 31.700 0.234 0.000 0.875 20 K N 1.183 121.683 120.400 0.167 0.000 3.350 20 K HA 0.254 4.590 4.320 0.025 0.000 0.167 20 K C -1.233 175.390 176.600 0.038 0.000 1.058 20 K CA -0.262 56.081 56.287 0.092 0.000 0.783 20 K CB 0.682 33.221 32.500 0.065 0.000 0.872 20 K HN 0.149 nan 8.250 nan 0.000 0.561 21 V N 1.710 121.644 119.914 0.033 0.000 2.539 21 V HA 0.317 4.452 4.120 0.025 0.000 0.292 21 V C 0.536 176.594 176.094 -0.060 0.000 1.045 21 V CA -0.989 61.300 62.300 -0.017 0.000 0.945 21 V CB 1.449 33.270 31.823 -0.004 0.000 0.993 21 V HN 0.344 nan 8.190 nan 0.000 0.464 22 K N 2.628 122.955 120.400 -0.122 0.000 2.298 22 K HA 0.422 4.757 4.320 0.025 0.000 0.280 22 K C -0.328 176.156 176.600 -0.193 0.000 1.032 22 K CA -0.624 55.573 56.287 -0.149 0.000 0.958 22 K CB 0.950 33.341 32.500 -0.181 0.000 0.978 22 K HN 0.501 nan 8.250 nan 0.000 0.472 23 Q N 3.122 122.858 119.800 -0.107 0.000 2.293 23 Q HA 0.092 4.447 4.340 0.025 0.000 0.263 23 Q C -1.328 174.675 176.000 0.004 0.000 1.002 23 Q CA -0.029 55.751 55.803 -0.039 0.000 0.910 23 Q CB 0.305 29.048 28.738 0.009 0.000 1.185 23 Q HN 0.547 nan 8.270 nan 0.000 0.401 24 W N 5.525 126.820 121.300 -0.009 0.000 2.160 24 W HA 0.194 4.869 4.660 0.025 0.000 0.352 24 W C -1.744 174.788 176.519 0.022 0.000 1.288 24 W CA -1.189 56.182 57.345 0.043 0.000 1.279 24 W CB -0.403 29.140 29.460 0.138 0.000 1.181 24 W HN 0.587 nan 8.180 nan 0.000 0.593 25 P HA 0.299 nan 4.420 nan 0.000 0.284 25 P C -0.826 176.558 177.300 0.142 0.000 1.253 25 P CA -0.240 62.952 63.100 0.153 0.000 0.800 25 P CB 0.674 32.443 31.700 0.114 0.000 0.961 26 L N 1.167 122.434 121.223 0.073 0.000 2.341 26 L HA 0.536 4.891 4.340 0.025 0.000 0.267 26 L C 1.061 177.926 176.870 -0.008 0.000 1.009 26 L CA -0.935 53.917 54.840 0.020 0.000 0.819 26 L CB 1.987 44.038 42.059 -0.013 0.000 1.323 26 L HN 0.355 nan 8.230 nan 0.000 0.425 27 T N -2.552 111.980 114.554 -0.037 0.000 2.734 27 T HA 0.018 4.383 4.350 0.025 0.000 0.314 27 T C 1.045 175.723 174.700 -0.036 0.000 1.057 27 T CA 0.213 62.297 62.100 -0.027 0.000 1.047 27 T CB 0.720 69.572 68.868 -0.027 0.000 0.991 27 T HN 0.871 nan 8.240 nan 0.000 0.540 28 E N 0.274 120.467 120.200 -0.013 0.000 2.107 28 E HA -0.201 4.164 4.350 0.025 0.000 0.191 28 E C 1.887 178.480 176.600 -0.012 0.000 0.982 28 E CA 1.306 57.702 56.400 -0.007 0.000 0.809 28 E CB -0.322 29.383 29.700 0.009 0.000 0.756 28 E HN 0.945 nan 8.360 nan 0.000 0.459 29 E N 1.632 121.832 120.200 -0.001 0.000 2.208 29 E HA -0.134 4.231 4.350 0.025 0.000 0.193 29 E C 1.957 178.501 176.600 -0.093 0.000 0.988 29 E CA 0.570 56.988 56.400 0.029 0.000 0.828 29 E CB -0.051 29.730 29.700 0.135 0.000 0.763 29 E HN 0.161 nan 8.360 nan 0.000 0.478 30 K N 0.557 120.810 120.400 -0.244 0.000 2.103 30 K HA 0.013 4.348 4.320 0.025 0.000 0.204 30 K C 2.158 178.588 176.600 -0.283 0.000 1.052 30 K CA 1.172 57.152 56.287 -0.512 0.000 0.945 30 K CB -0.036 32.155 32.500 -0.515 0.000 0.722 30 K HN 0.211 nan 8.250 nan 0.000 0.443 31 I N 1.252 121.737 120.570 -0.142 0.000 2.315 31 I HA -0.269 3.916 4.170 0.025 0.000 0.248 31 I C 2.070 178.166 176.117 -0.035 0.000 1.117 31 I CA 0.994 62.254 61.300 -0.067 0.000 1.404 31 I CB -0.137 37.846 38.000 -0.028 0.000 1.071 31 I HN 0.054 nan 8.210 nan 0.000 0.419 32 K N 1.176 121.561 120.400 -0.026 0.000 2.026 32 K HA -0.090 4.245 4.320 0.025 0.000 0.208 32 K C 2.260 178.875 176.600 0.025 0.000 1.048 32 K CA 1.600 57.895 56.287 0.013 0.000 0.929 32 K CB -0.771 31.749 32.500 0.033 0.000 0.713 32 K HN 0.289 nan 8.250 nan 0.000 0.439 33 A N 1.851 124.682 122.820 0.018 0.000 1.892 33 A HA -0.170 4.165 4.320 0.025 0.000 0.218 33 A C 2.397 180.001 177.584 0.033 0.000 1.188 33 A CA 1.612 53.690 52.037 0.069 0.000 0.631 33 A CB -0.823 18.238 19.000 0.101 0.000 0.822 33 A HN 0.213 nan 8.150 nan 0.000 0.447 34 L N -0.785 120.426 121.223 -0.020 0.000 2.093 34 L HA -0.137 4.218 4.340 0.025 0.000 0.208 34 L C 2.484 179.381 176.870 0.045 0.000 1.085 34 L CA 0.941 55.781 54.840 -0.001 0.000 0.755 34 L CB -0.657 41.388 42.059 -0.023 0.000 0.904 34 L HN 0.242 nan 8.230 nan 0.000 0.435 35 V N 0.309 120.254 119.914 0.052 0.000 2.490 35 V HA -0.284 3.851 4.120 0.025 0.000 0.250 35 V C 2.561 178.699 176.094 0.074 0.000 1.061 35 V CA 2.088 64.438 62.300 0.083 0.000 1.064 35 V CB -0.404 31.456 31.823 0.061 0.000 0.670 35 V HN 0.568 nan 8.190 nan 0.000 0.461 36 E N -0.041 120.189 120.200 0.050 0.000 2.122 36 E HA -0.131 4.234 4.350 0.025 0.000 0.190 36 E C 2.206 178.816 176.600 0.018 0.000 0.977 36 E CA 1.027 57.450 56.400 0.038 0.000 0.820 36 E CB -0.096 29.628 29.700 0.041 0.000 0.770 36 E HN 0.607 nan 8.360 nan 0.000 0.462 37 I N 0.921 121.498 120.570 0.012 0.000 2.361 37 I HA -0.259 3.926 4.170 0.025 0.000 0.251 37 I C 2.087 178.165 176.117 -0.065 0.000 1.133 37 I CA 0.643 61.931 61.300 -0.020 0.000 1.413 37 I CB -0.137 37.854 38.000 -0.016 0.000 1.073 37 I HN 0.280 nan 8.210 nan 0.000 0.424 38 C N 0.068 119.331 119.300 -0.061 0.000 2.626 38 C HA 0.029 4.504 4.460 0.025 0.000 0.266 38 C C 2.669 177.550 174.990 -0.182 0.000 1.317 38 C CA 0.467 59.367 59.018 -0.198 0.000 1.716 38 C CB -1.139 26.515 27.740 -0.144 0.000 1.819 38 C HN 0.477 nan 8.230 nan 0.000 0.578 39 T N 0.660 115.190 114.554 -0.039 0.000 2.901 39 T HA -0.090 4.275 4.350 0.025 0.000 0.252 39 T C 1.784 176.464 174.700 -0.032 0.000 1.035 39 T CA 1.297 63.399 62.100 0.004 0.000 1.142 39 T CB -0.048 68.840 68.868 0.034 0.000 0.869 39 T HN 0.538 nan 8.240 nan 0.000 0.442 40 E N 1.582 121.757 120.200 -0.041 0.000 2.017 40 E HA -0.032 4.333 4.350 0.025 0.000 0.193 40 E C 2.153 178.712 176.600 -0.069 0.000 0.997 40 E CA 1.335 57.709 56.400 -0.043 0.000 0.804 40 E CB -0.359 29.317 29.700 -0.039 0.000 0.757 40 E HN 0.362 nan 8.360 nan 0.000 0.448 41 M N 0.273 119.807 119.600 -0.108 0.000 2.144 41 M HA -0.209 4.286 4.480 0.025 0.000 0.260 41 M C 2.378 178.598 176.300 -0.133 0.000 1.067 41 M CA 2.004 57.226 55.300 -0.130 0.000 1.095 41 M CB -0.300 32.190 32.600 -0.183 0.000 1.365 41 M HN 0.259 nan 8.290 nan 0.000 0.406 42 E N 0.657 120.754 120.200 -0.171 0.000 2.047 42 E HA -0.238 4.127 4.350 0.025 0.000 0.191 42 E C 2.012 178.586 176.600 -0.043 0.000 0.987 42 E CA 1.277 57.603 56.400 -0.122 0.000 0.799 42 E CB -0.006 29.644 29.700 -0.083 0.000 0.752 42 E HN 0.361 nan 8.360 nan 0.000 0.449 43 K N 0.588 120.969 120.400 -0.032 0.000 2.009 43 K HA -0.221 4.114 4.320 0.025 0.000 0.210 43 K C 1.888 178.485 176.600 -0.006 0.000 1.049 43 K CA 1.968 58.248 56.287 -0.010 0.000 0.929 43 K CB -0.094 32.401 32.500 -0.008 0.000 0.714 43 K HN 0.186 nan 8.250 nan 0.000 0.440 44 E N -1.167 119.026 120.200 -0.013 0.000 2.401 44 E HA -0.103 4.262 4.350 0.025 0.000 0.199 44 E C 0.994 177.605 176.600 0.018 0.000 1.023 44 E CA 0.591 56.993 56.400 0.002 0.000 0.859 44 E CB -0.013 29.685 29.700 -0.005 0.000 0.780 44 E HN 0.705 nan 8.360 nan 0.000 0.523 45 G N 1.110 109.916 108.800 0.009 0.000 2.175 45 G HA2 -0.335 3.640 3.960 0.025 0.000 0.244 45 G HA3 -0.335 3.640 3.960 0.025 0.000 0.244 45 G C 0.925 175.849 174.900 0.040 0.000 0.982 45 G CA 0.541 45.656 45.100 0.025 0.000 0.641 45 G HN 0.193 nan 8.290 nan 0.000 0.527 46 K N 0.136 120.561 120.400 0.042 0.000 2.103 46 K HA 0.185 4.520 4.320 0.025 0.000 0.207 46 K C 1.572 178.191 176.600 0.032 0.000 1.048 46 K CA 1.681 58.027 56.287 0.099 0.000 0.930 46 K CB -0.026 32.552 32.500 0.130 0.000 0.716 46 K HN 0.891 nan 8.250 nan 0.000 0.444 47 I N -4.271 116.248 120.570 -0.084 0.000 3.042 47 I HA 0.461 4.646 4.170 0.025 0.000 0.310 47 I C -1.031 175.050 176.117 -0.060 0.000 1.117 47 I CA -0.945 60.270 61.300 -0.142 0.000 1.003 47 I CB 2.650 40.441 38.000 -0.348 0.000 1.228 47 I HN -0.332 nan 8.210 nan 0.000 0.443 48 S N 2.031 117.741 115.700 0.017 0.000 2.521 48 S HA 0.407 4.892 4.470 0.025 0.000 0.295 48 S C -0.652 174.073 174.600 0.210 0.000 1.098 48 S CA -0.706 57.548 58.200 0.090 0.000 0.999 48 S CB 1.782 65.007 63.200 0.042 0.000 1.034 48 S HN 0.577 nan 8.310 nan 0.000 0.483 49 K N 2.139 122.664 120.400 0.208 0.000 2.383 49 K HA 0.387 4.722 4.320 0.025 0.000 0.286 49 K C -0.599 175.949 176.600 -0.087 0.000 1.051 49 K CA 0.085 56.376 56.287 0.007 0.000 0.974 49 K CB 0.234 32.721 32.500 -0.021 0.000 0.968 49 K HN 0.455 nan 8.250 nan 0.000 0.475 50 I N 1.026 121.488 120.570 -0.180 0.000 3.466 50 I HA 0.608 4.793 4.170 0.025 0.000 0.311 50 I C 0.374 176.379 176.117 -0.187 0.000 1.155 50 I CA -0.051 61.163 61.300 -0.144 0.000 0.959 50 I CB 2.304 40.236 38.000 -0.114 0.000 1.332 50 I HN 0.639 nan 8.210 nan 0.000 0.483 51 G N 1.257 109.970 108.800 -0.146 0.000 3.859 51 G HA2 0.014 3.989 3.960 0.025 0.000 0.220 51 G HA3 0.014 3.989 3.960 0.025 0.000 0.220 51 G C -1.878 172.954 174.900 -0.113 0.000 0.892 51 G CA 0.357 45.371 45.100 -0.144 0.000 0.858 51 G HN 0.608 nan 8.290 nan 0.000 0.625 52 P HA 0.199 nan 4.420 nan 0.000 0.214 52 P C 0.404 177.650 177.300 -0.090 0.000 1.110 52 P CA 0.402 63.451 63.100 -0.084 0.000 0.659 52 P CB 0.168 31.825 31.700 -0.070 0.000 0.803 53 E N 0.576 120.726 120.200 -0.083 0.000 2.441 53 E HA 0.029 4.394 4.350 0.025 0.000 0.210 53 E C 0.218 176.747 176.600 -0.118 0.000 1.306 53 E CA -0.110 56.235 56.400 -0.092 0.000 1.307 53 E CB -0.687 28.970 29.700 -0.071 0.000 1.297 53 E HN 0.151 nan 8.360 nan 0.000 0.440 54 N N 1.082 119.703 118.700 -0.132 0.000 2.501 54 N HA 0.118 4.873 4.740 0.025 0.000 0.245 54 N C -2.034 173.328 175.510 -0.247 0.000 0.974 54 N CA -1.799 51.158 53.050 -0.155 0.000 0.941 54 N CB 1.500 39.929 38.487 -0.096 0.000 1.122 54 N HN -0.051 nan 8.380 nan 0.000 0.507 55 P HA 0.032 nan 4.420 nan 0.000 0.217 55 P C -0.265 176.725 177.300 -0.517 0.000 1.154 55 P CA 0.936 63.689 63.100 -0.578 0.000 0.841 55 P CB 0.092 31.289 31.700 -0.839 0.000 0.788 56 Y N 0.009 120.289 120.300 -0.033 0.000 2.426 56 Y HA 0.326 4.891 4.550 0.025 0.000 0.344 56 Y C 1.173 177.074 175.900 0.003 0.000 1.256 56 Y CA 0.068 58.170 58.100 0.004 0.000 1.451 56 Y CB -0.104 38.370 38.460 0.023 0.000 1.342 56 Y HN -0.075 nan 8.280 nan 0.000 0.600 57 N N -0.971 117.837 118.700 0.181 0.000 2.935 57 N HA 0.318 5.073 4.740 0.025 0.000 0.248 57 N C -1.913 173.661 175.510 0.107 0.000 1.276 57 N CA -0.360 52.759 53.050 0.115 0.000 0.906 57 N CB 2.115 40.625 38.487 0.039 0.000 1.564 57 N HN 0.672 nan 8.380 nan 0.000 0.500 58 T N 1.862 116.464 114.554 0.081 0.000 2.909 58 T HA 0.548 4.913 4.350 0.025 0.000 0.299 58 T C -2.806 171.844 174.700 -0.084 0.000 1.073 58 T CA -0.906 61.174 62.100 -0.033 0.000 0.999 58 T CB 2.370 71.115 68.868 -0.204 0.000 1.098 58 T HN 0.342 nan 8.240 nan 0.000 0.477 59 P HA 0.287 nan 4.420 nan 0.000 0.282 59 P C -0.550 176.397 177.300 -0.589 0.000 1.262 59 P CA -0.278 62.660 63.100 -0.270 0.000 0.773 59 P CB 1.062 32.688 31.700 -0.124 0.000 0.879 60 V N 5.366 124.982 119.914 -0.497 0.000 2.716 60 V HA 0.567 4.702 4.120 0.025 0.000 0.304 60 V C -0.727 174.992 176.094 -0.625 0.000 1.053 60 V CA -0.225 61.769 62.300 -0.510 0.000 0.984 60 V CB 0.528 32.175 31.823 -0.294 0.000 1.021 60 V HN 0.333 nan 8.190 nan 0.000 0.467 61 F N 2.758 122.646 119.950 -0.105 0.000 2.814 61 F HA 0.925 5.467 4.527 0.025 0.000 0.353 61 F C 0.220 175.926 175.800 -0.156 0.000 1.177 61 F CA -0.494 57.421 58.000 -0.142 0.000 1.036 61 F CB 1.646 40.557 39.000 -0.149 0.000 1.455 61 F HN 0.657 nan 8.300 nan 0.000 0.520 62 A N 1.006 123.857 122.820 0.052 0.000 2.437 62 A HA 0.787 5.122 4.320 0.025 0.000 0.293 62 A C -1.565 176.041 177.584 0.037 0.000 1.038 62 A CA -0.257 51.718 52.037 -0.105 0.000 0.708 62 A CB 0.750 19.427 19.000 -0.538 0.000 1.251 62 A HN 0.466 nan 8.150 nan 0.000 0.409 71 W N 3.048 124.341 121.300 -0.012 0.000 2.359 71 W HA 0.514 5.189 4.660 0.025 0.000 0.344 71 W C 0.263 176.774 176.519 -0.014 0.000 1.170 71 W CA -0.637 56.702 57.345 -0.011 0.000 1.296 71 W CB 1.339 30.797 29.460 -0.004 0.000 1.197 71 W HN 0.348 nan 8.180 nan 0.000 0.618 72 R N 2.383 123.094 120.500 0.353 0.000 2.575 72 R HA 0.276 4.631 4.340 0.025 0.000 0.293 72 R C -0.696 175.689 176.300 0.142 0.000 0.983 72 R CA -0.872 55.332 56.100 0.174 0.000 0.887 72 R CB 1.219 31.588 30.300 0.115 0.000 1.184 72 R HN 0.571 nan 8.270 nan 0.000 0.445 73 K N 3.430 123.871 120.400 0.069 0.000 2.154 73 K HA 0.378 4.713 4.320 0.025 0.000 0.264 73 K C -1.211 175.422 176.600 0.054 0.000 1.008 73 K CA -0.642 55.661 56.287 0.027 0.000 0.937 73 K CB 1.233 33.705 32.500 -0.048 0.000 1.002 73 K HN 0.338 nan 8.250 nan 0.000 0.469 74 L N 3.007 124.267 121.223 0.061 0.000 2.482 74 L HA 0.334 4.689 4.340 0.025 0.000 0.269 74 L C -1.666 175.232 176.870 0.046 0.000 0.967 74 L CA -0.567 54.344 54.840 0.118 0.000 0.851 74 L CB 2.105 44.282 42.059 0.196 0.000 1.242 74 L HN 0.602 nan 8.230 nan 0.000 0.404 75 V N 2.806 122.720 119.914 0.000 0.000 2.539 75 V HA 0.450 4.585 4.120 0.025 0.000 0.292 75 V C -0.542 175.477 176.094 -0.126 0.000 1.045 75 V CA -0.538 61.639 62.300 -0.205 0.000 0.945 75 V CB 1.678 33.326 31.823 -0.291 0.000 0.993 75 V HN 0.697 nan 8.190 nan 0.000 0.464 76 D N 2.165 122.423 120.400 -0.238 0.000 2.454 76 D HA 0.379 5.034 4.640 0.025 0.000 0.225 76 D C -0.028 176.204 176.300 -0.114 0.000 1.081 76 D CA -0.238 53.749 54.000 -0.021 0.000 0.864 76 D CB 0.601 41.493 40.800 0.153 0.000 1.040 76 D HN 0.410 nan 8.370 nan 0.000 0.517 77 F N 2.228 122.284 119.950 0.177 0.000 2.660 77 F HA 0.125 4.667 4.527 0.025 0.000 0.302 77 F C 2.279 178.198 175.800 0.197 0.000 1.103 77 F CA -0.393 57.733 58.000 0.209 0.000 1.340 77 F CB 0.183 39.349 39.000 0.277 0.000 1.048 77 F HN 0.346 nan 8.300 nan 0.000 0.551 78 R N 0.324 120.995 120.500 0.284 0.000 2.113 78 R HA -0.212 4.143 4.340 0.025 0.000 0.244 78 R C 1.472 177.896 176.300 0.206 0.000 1.142 78 R CA 1.922 58.150 56.100 0.214 0.000 0.953 78 R CB -0.639 29.761 30.300 0.168 0.000 0.860 78 R HN 0.171 nan 8.270 nan 0.000 0.438 79 E N 0.925 121.247 120.200 0.204 0.000 2.047 79 E HA -0.141 4.224 4.350 0.025 0.000 0.191 79 E C 2.051 178.787 176.600 0.226 0.000 0.987 79 E CA 0.962 57.471 56.400 0.182 0.000 0.799 79 E CB -0.342 29.450 29.700 0.154 0.000 0.752 79 E HN 0.295 nan 8.360 nan 0.000 0.449 80 L N 2.162 123.584 121.223 0.332 0.000 2.046 80 L HA -0.161 4.194 4.340 0.025 0.000 0.208 80 L C 1.518 178.616 176.870 0.379 0.000 1.077 80 L CA 1.712 56.790 54.840 0.398 0.000 0.747 80 L CB -0.788 41.650 42.059 0.632 0.000 0.896 80 L HN -0.002 nan 8.230 nan 0.000 0.432 81 N N 0.193 119.104 118.700 0.353 0.000 2.149 81 N HA -0.196 4.559 4.740 0.025 0.000 0.188 81 N C 1.718 177.306 175.510 0.131 0.000 1.019 81 N CA 1.430 54.598 53.050 0.196 0.000 0.857 81 N CB -0.286 38.276 38.487 0.125 0.000 0.997 81 N HN 0.481 nan 8.380 nan 0.000 0.426 82 K N 0.506 120.986 120.400 0.134 0.000 2.209 82 K HA -0.007 4.328 4.320 0.025 0.000 0.204 82 K C 1.671 178.319 176.600 0.080 0.000 1.048 82 K CA 0.854 57.195 56.287 0.091 0.000 0.940 82 K CB 0.042 32.596 32.500 0.089 0.000 0.729 82 K HN 0.157 nan 8.250 nan 0.000 0.451 83 R N -0.132 120.432 120.500 0.107 0.000 2.290 83 R HA 0.076 4.431 4.340 0.025 0.000 0.197 83 R C 0.297 176.646 176.300 0.083 0.000 0.913 83 R CA 0.219 56.364 56.100 0.074 0.000 1.040 83 R CB 0.552 30.887 30.300 0.058 0.000 0.992 83 R HN -0.072 nan 8.270 nan 0.000 0.500 84 T N 2.406 117.050 114.554 0.150 0.000 2.869 84 T HA 0.044 4.409 4.350 0.025 0.000 0.295 84 T C 0.145 174.840 174.700 -0.010 0.000 0.987 84 T CA -0.435 61.772 62.100 0.178 0.000 1.109 84 T CB 1.149 70.206 68.868 0.314 0.000 0.932 84 T HN 0.257 nan 8.240 nan 0.000 0.518 85 Q N 2.904 122.635 119.800 -0.116 0.000 2.730 85 Q HA 0.015 4.370 4.340 0.025 0.000 0.255 85 Q C -0.699 175.022 176.000 -0.466 0.000 1.155 85 Q CA 0.042 55.671 55.803 -0.291 0.000 1.035 85 Q CB 0.421 28.924 28.738 -0.392 0.000 1.335 85 Q HN 0.421 nan 8.270 nan 0.000 0.556 86 D N -0.197 119.935 120.400 -0.447 0.000 2.229 86 D HA 0.414 5.069 4.640 0.025 0.000 0.249 86 D C -0.921 175.012 176.300 -0.612 0.000 1.027 86 D CA -0.192 53.588 54.000 -0.367 0.000 0.923 86 D CB 0.737 41.447 40.800 -0.150 0.000 1.174 86 D HN 0.352 nan 8.370 nan 0.000 0.443 87 F N -0.147 119.769 119.950 -0.057 0.000 2.613 87 F HA 0.250 4.792 4.527 0.025 0.000 0.342 87 F C 1.506 177.370 175.800 0.106 0.000 1.066 87 F CA -1.045 56.951 58.000 -0.007 0.000 1.002 87 F CB 0.787 39.739 39.000 -0.080 0.000 1.319 87 F HN 0.437 nan 8.300 nan 0.000 0.495 88 W N 1.355 122.728 121.300 0.122 0.000 2.292 88 W HA -0.155 4.520 4.660 0.025 0.000 0.330 88 W C -0.579 175.966 176.519 0.044 0.000 1.264 88 W CA 2.004 59.378 57.345 0.048 0.000 1.235 88 W CB 0.193 29.674 29.460 0.034 0.000 1.164 88 W HN 0.678 nan 8.180 nan 0.000 0.461 89 E N -2.481 117.624 120.200 -0.159 0.000 3.302 89 E HA 0.040 4.405 4.350 0.025 0.000 0.312 89 E C -1.379 175.065 176.600 -0.260 0.000 1.167 89 E CA -0.398 55.795 56.400 -0.345 0.000 0.919 89 E CB -0.638 28.667 29.700 -0.658 0.000 1.106 89 E HN -0.100 nan 8.360 nan 0.000 0.496 90 V N 2.517 122.337 119.914 -0.158 0.000 2.222 90 V HA 0.205 4.340 4.120 0.025 0.000 0.253 90 V C 0.476 176.521 176.094 -0.082 0.000 1.210 90 V CA -0.596 61.647 62.300 -0.095 0.000 1.079 90 V CB 0.194 31.967 31.823 -0.083 0.000 1.265 90 V HN 0.675 nan 8.190 nan 0.000 0.494 91 Q N 1.991 121.733 119.800 -0.096 0.000 3.322 91 Q HA -0.171 4.184 4.340 0.025 0.000 0.397 91 Q C 0.508 176.511 176.000 0.005 0.000 1.138 91 Q CA 0.668 56.436 55.803 -0.058 0.000 1.076 91 Q CB 0.353 29.096 28.738 0.009 0.000 1.246 91 Q HN 0.626 nan 8.270 nan 0.000 0.551 92 L N 2.027 123.243 121.223 -0.012 0.000 2.616 92 L HA 0.211 4.566 4.340 0.025 0.000 0.229 92 L C 1.114 178.010 176.870 0.045 0.000 1.110 92 L CA 0.815 55.669 54.840 0.023 0.000 0.884 92 L CB 0.237 42.289 42.059 -0.011 0.000 1.115 92 L HN 0.592 nan 8.230 nan 0.000 0.481 93 G N 1.811 110.636 108.800 0.042 0.000 2.393 93 G HA2 0.484 4.459 3.960 0.025 0.000 0.311 93 G HA3 0.484 4.459 3.960 0.025 0.000 0.311 93 G C 0.027 174.986 174.900 0.098 0.000 1.067 93 G CA -0.221 44.909 45.100 0.050 0.000 1.000 93 G HN 0.028 nan 8.290 nan 0.000 0.422 94 I N 1.406 122.038 120.570 0.103 0.000 2.577 94 I HA 0.624 4.809 4.170 0.025 0.000 0.305 94 I C -1.836 174.383 176.117 0.170 0.000 0.986 94 I CA -2.885 58.522 61.300 0.179 0.000 1.189 94 I CB 0.922 38.991 38.000 0.114 0.000 1.355 94 I HN 0.219 nan 8.210 nan 0.000 0.476 95 P HA 0.119 nan 4.420 nan 0.000 0.269 95 P C -1.160 176.217 177.300 0.128 0.000 1.217 95 P CA 0.350 63.498 63.100 0.080 0.000 0.783 95 P CB 0.470 32.105 31.700 -0.109 0.000 0.898 96 H N 0.648 119.652 119.070 -0.110 0.000 2.469 96 H HA 0.288 4.859 4.556 0.025 0.000 0.342 96 H C -1.694 173.464 175.328 -0.284 0.000 1.115 96 H CA -1.892 54.037 56.048 -0.197 0.000 1.204 96 H CB 1.589 31.180 29.762 -0.284 0.000 1.492 96 H HN 0.137 nan 8.280 nan 0.000 0.499 97 P HA -0.260 nan 4.420 nan 0.000 0.217 97 P C 0.997 178.255 177.300 -0.070 0.000 1.151 97 P CA 2.275 65.079 63.100 -0.493 0.000 0.849 97 P CB 0.020 30.936 31.700 -1.307 0.000 0.787 98 A N -0.630 122.272 122.820 0.136 0.000 2.076 98 A HA -0.099 4.236 4.320 0.025 0.000 0.220 98 A C 2.292 180.090 177.584 0.358 0.000 1.160 98 A CA 1.990 54.242 52.037 0.358 0.000 0.653 98 A CB -1.595 17.565 19.000 0.267 0.000 0.801 98 A HN 0.342 nan 8.150 nan 0.000 0.455 99 G N -1.295 107.515 108.800 0.016 0.000 2.939 99 G HA2 0.366 4.341 3.960 0.025 0.000 0.210 99 G HA3 0.366 4.341 3.960 0.025 0.000 0.210 99 G C 0.570 175.561 174.900 0.152 0.000 1.160 99 G CA -0.308 44.733 45.100 -0.098 0.000 0.770 99 G HN 0.383 nan 8.290 nan 0.000 0.543 100 L N 0.201 121.519 121.223 0.159 0.000 2.466 100 L HA 0.376 4.731 4.340 0.025 0.000 0.257 100 L C 0.146 177.092 176.870 0.127 0.000 1.189 100 L CA -0.238 54.633 54.840 0.052 0.000 0.813 100 L CB 0.871 42.861 42.059 -0.115 0.000 1.118 100 L HN -0.020 nan 8.230 nan 0.000 0.471 101 K N 0.862 121.220 120.400 -0.070 0.000 2.156 101 K HA 0.321 4.657 4.320 0.025 0.000 0.254 101 K C -0.711 175.723 176.600 -0.278 0.000 0.950 101 K CA -0.879 55.378 56.287 -0.050 0.000 0.849 101 K CB 1.792 34.283 32.500 -0.015 0.000 1.100 101 K HN 0.299 nan 8.250 nan 0.000 0.434 102 K N 2.373 122.715 120.400 -0.098 0.000 2.383 102 K HA 0.067 4.402 4.320 0.025 0.000 0.286 102 K C -0.821 175.740 176.600 -0.065 0.000 1.051 102 K CA 0.059 56.314 56.287 -0.054 0.000 0.974 102 K CB 0.434 33.029 32.500 0.159 0.000 0.968 102 K HN 0.211 nan 8.250 nan 0.000 0.475 103 K N 3.201 123.549 120.400 -0.086 0.000 2.259 103 K HA 0.232 4.567 4.320 0.025 0.000 0.252 103 K C 0.276 176.852 176.600 -0.041 0.000 0.936 103 K CA -0.597 55.653 56.287 -0.061 0.000 0.810 103 K CB 1.612 34.064 32.500 -0.080 0.000 1.143 103 K HN 0.408 nan 8.250 nan 0.000 0.427 104 K N 0.147 120.519 120.400 -0.048 0.000 2.147 104 K HA 0.048 4.384 4.320 0.025 0.000 0.205 104 K C -0.116 176.424 176.600 -0.101 0.000 1.049 104 K CA 0.944 57.201 56.287 -0.050 0.000 0.936 104 K CB 0.158 32.634 32.500 -0.039 0.000 0.722 104 K HN 0.362 nan 8.250 nan 0.000 0.446 105 S N -0.132 115.445 115.700 -0.204 0.000 2.546 105 S HA 0.458 4.943 4.470 0.025 0.000 0.274 105 S C -1.267 173.139 174.600 -0.323 0.000 1.121 105 S CA -0.870 57.115 58.200 -0.359 0.000 0.887 105 S CB 2.627 65.343 63.200 -0.806 0.000 1.094 105 S HN -0.111 nan 8.310 nan 0.000 0.474 106 V N 2.235 122.093 119.914 -0.093 0.000 2.668 106 V HA 0.595 4.730 4.120 0.025 0.000 0.304 106 V C -0.596 175.673 176.094 0.292 0.000 1.071 106 V CA -0.665 61.706 62.300 0.117 0.000 0.894 106 V CB 1.942 33.879 31.823 0.190 0.000 1.008 106 V HN 0.893 nan 8.190 nan 0.000 0.425 107 T N 3.358 118.099 114.554 0.312 0.000 2.885 107 T HA 0.715 5.080 4.350 0.025 0.000 0.285 107 T C -0.573 174.184 174.700 0.095 0.000 1.019 107 T CA -0.628 61.644 62.100 0.286 0.000 1.010 107 T CB 2.182 71.217 68.868 0.278 0.000 1.022 107 T HN 0.378 nan 8.240 nan 0.000 0.466 108 V N 3.393 123.320 119.914 0.021 0.000 2.409 108 V HA 0.420 4.555 4.120 0.025 0.000 0.291 108 V C -0.900 175.187 176.094 -0.011 0.000 1.020 108 V CA -0.798 61.417 62.300 -0.142 0.000 0.848 108 V CB 1.419 32.947 31.823 -0.492 0.000 0.990 108 V HN 0.621 nan 8.190 nan 0.000 0.430 109 L N 4.661 125.885 121.223 0.001 0.000 2.265 109 L HA 0.438 4.793 4.340 0.025 0.000 0.289 109 L C 0.259 177.149 176.870 0.034 0.000 1.033 109 L CA 0.194 55.053 54.840 0.031 0.000 0.814 109 L CB 1.236 43.310 42.059 0.025 0.000 1.203 109 L HN 0.636 nan 8.230 nan 0.000 0.423 110 D N 3.217 123.643 120.400 0.044 0.000 2.317 110 D HA 0.119 4.774 4.640 0.025 0.000 0.252 110 D C 0.245 176.566 176.300 0.035 0.000 1.174 110 D CA -0.107 53.914 54.000 0.034 0.000 0.866 110 D CB 1.478 42.298 40.800 0.033 0.000 1.127 110 D HN 0.342 nan 8.370 nan 0.000 0.467 111 V N 2.289 122.222 119.914 0.031 0.000 2.887 111 V HA 0.384 4.519 4.120 0.025 0.000 0.370 111 V C 1.586 177.670 176.094 -0.017 0.000 1.322 111 V CA 0.007 62.340 62.300 0.054 0.000 1.267 111 V CB 0.313 32.219 31.823 0.139 0.000 1.344 111 V HN 0.538 nan 8.190 nan 0.000 0.573 112 G N 1.412 110.182 108.800 -0.051 0.000 2.514 112 G HA2 -0.272 3.703 3.960 0.025 0.000 0.217 112 G HA3 -0.272 3.703 3.960 0.025 0.000 0.217 112 G C 0.860 175.730 174.900 -0.050 0.000 1.198 112 G CA 1.568 46.602 45.100 -0.110 0.000 0.780 112 G HN 0.562 nan 8.290 nan 0.000 0.565 113 D N 0.606 121.021 120.400 0.026 0.000 2.378 113 D HA 0.187 4.842 4.640 0.025 0.000 0.222 113 D C 2.486 178.887 176.300 0.167 0.000 0.980 113 D CA 0.746 54.811 54.000 0.108 0.000 0.907 113 D CB -0.105 40.732 40.800 0.062 0.000 0.899 113 D HN 0.336 nan 8.370 nan 0.000 0.527 114 A N -0.613 122.278 122.820 0.118 0.000 2.121 114 A HA -0.165 4.170 4.320 0.025 0.000 0.218 114 A C 1.816 179.527 177.584 0.211 0.000 1.154 114 A CA 0.644 52.813 52.037 0.219 0.000 0.679 114 A CB -0.773 18.425 19.000 0.329 0.000 0.795 114 A HN 0.385 nan 8.150 nan 0.000 0.458 115 Y N -0.938 119.213 120.300 -0.249 0.000 2.049 115 Y HA -0.265 4.300 4.550 0.025 0.000 0.277 115 Y C 1.706 177.554 175.900 -0.087 0.000 1.143 115 Y CA 1.896 59.761 58.100 -0.393 0.000 1.115 115 Y CB -0.254 38.018 38.460 -0.314 0.000 0.975 115 Y HN 0.347 nan 8.280 nan 0.000 0.487 116 F N -0.798 119.237 119.950 0.143 0.000 2.771 116 F HA -0.095 4.447 4.527 0.025 0.000 0.299 116 F C 1.937 177.802 175.800 0.107 0.000 1.177 116 F CA 0.643 58.711 58.000 0.113 0.000 1.450 116 F CB -0.032 39.051 39.000 0.139 0.000 1.114 116 F HN -0.078 nan 8.300 nan 0.000 0.587 117 S N -0.828 115.028 115.700 0.259 0.000 2.556 117 S HA 0.153 4.639 4.470 0.025 0.000 0.216 117 S C 0.446 175.146 174.600 0.166 0.000 0.970 117 S CA -0.067 58.256 58.200 0.206 0.000 0.912 117 S CB 0.197 63.517 63.200 0.200 0.000 0.790 117 S HN -0.114 nan 8.310 nan 0.000 0.504 118 V N 5.150 125.150 119.914 0.144 0.000 2.370 118 V HA 0.329 4.464 4.120 0.025 0.000 0.279 118 V C -2.101 174.020 176.094 0.046 0.000 1.029 118 V CA -2.258 60.097 62.300 0.092 0.000 0.870 118 V CB 1.160 33.041 31.823 0.097 0.000 0.984 118 V HN 0.148 nan 8.190 nan 0.000 0.451 119 P HA 0.128 nan 4.420 nan 0.000 0.270 119 P C -0.839 176.466 177.300 0.009 0.000 1.223 119 P CA -0.302 62.823 63.100 0.041 0.000 0.785 119 P CB 1.307 33.038 31.700 0.052 0.000 0.923 120 L N 1.473 122.701 121.223 0.008 0.000 2.334 120 L HA 0.404 4.759 4.340 0.025 0.000 0.276 120 L C -0.179 176.705 176.870 0.025 0.000 1.014 120 L CA -0.700 54.128 54.840 -0.020 0.000 0.815 120 L CB 0.882 42.901 42.059 -0.065 0.000 1.268 120 L HN 0.229 nan 8.230 nan 0.000 0.428 121 D N 2.590 123.011 120.400 0.035 0.000 2.536 121 D HA -0.066 4.589 4.640 0.025 0.000 0.260 121 D C 1.107 177.473 176.300 0.111 0.000 1.270 121 D CA 0.468 54.516 54.000 0.079 0.000 0.934 121 D CB 0.832 41.692 40.800 0.101 0.000 1.129 121 D HN 0.589 nan 8.370 nan 0.000 0.533 122 E N 2.965 123.214 120.200 0.081 0.000 2.171 122 E HA -0.290 4.075 4.350 0.025 0.000 0.197 122 E C 1.123 177.771 176.600 0.080 0.000 0.997 122 E CA 0.968 57.410 56.400 0.069 0.000 0.810 122 E CB -0.242 29.488 29.700 0.049 0.000 0.738 122 E HN 0.605 nan 8.360 nan 0.000 0.467 123 D N -0.247 120.219 120.400 0.111 0.000 2.218 123 D HA -0.114 4.541 4.640 0.025 0.000 0.204 123 D C 1.205 177.618 176.300 0.189 0.000 0.976 123 D CA 0.647 54.722 54.000 0.126 0.000 0.853 123 D CB -0.167 40.720 40.800 0.144 0.000 0.939 123 D HN 0.223 nan 8.370 nan 0.000 0.481 124 F N 0.770 120.772 119.950 0.088 0.000 2.746 124 F HA 0.187 4.729 4.527 0.025 0.000 0.297 124 F C 2.158 178.009 175.800 0.085 0.000 1.113 124 F CA -0.102 58.018 58.000 0.201 0.000 1.367 124 F CB 0.186 39.254 39.000 0.115 0.000 1.111 124 F HN -0.251 nan 8.300 nan 0.000 0.590 125 R N 1.111 121.662 120.500 0.086 0.000 2.139 125 R HA -0.206 4.149 4.340 0.025 0.000 0.243 125 R C 2.282 178.518 176.300 -0.107 0.000 1.145 125 R CA 1.855 57.958 56.100 0.004 0.000 0.976 125 R CB -0.493 29.825 30.300 0.029 0.000 0.866 125 R HN 0.385 nan 8.270 nan 0.000 0.449 126 K N -0.011 120.232 120.400 -0.261 0.000 2.113 126 K HA -0.213 4.122 4.320 0.025 0.000 0.208 126 K C 1.402 177.777 176.600 -0.374 0.000 1.047 126 K CA 1.761 57.850 56.287 -0.330 0.000 0.928 126 K CB -0.513 31.701 32.500 -0.477 0.000 0.716 126 K HN 0.210 nan 8.250 nan 0.000 0.446 127 Y N 2.704 122.783 120.300 -0.368 0.000 2.403 127 Y HA -0.117 4.449 4.550 0.025 0.000 0.291 127 Y C 2.653 178.488 175.900 -0.108 0.000 1.143 127 Y CA 1.537 59.353 58.100 -0.472 0.000 1.257 127 Y CB -0.680 37.200 38.460 -0.966 0.000 0.984 127 Y HN 0.388 nan 8.280 nan 0.000 0.550 128 T N -2.363 112.253 114.554 0.104 0.000 3.129 128 T HA 0.374 4.739 4.350 0.025 0.000 0.251 128 T C 1.015 175.996 174.700 0.468 0.000 1.117 128 T CA 0.121 62.455 62.100 0.391 0.000 1.034 128 T CB -0.626 68.411 68.868 0.282 0.000 0.968 128 T HN 0.232 nan 8.240 nan 0.000 0.526 129 A N 1.885 124.839 122.820 0.224 0.000 2.587 129 A HA 0.466 4.801 4.320 0.025 0.000 0.233 129 A C 0.053 177.741 177.584 0.174 0.000 1.049 129 A CA -0.156 51.935 52.037 0.089 0.000 0.754 129 A CB -0.640 18.375 19.000 0.025 0.000 0.977 129 A HN 0.796 nan 8.150 nan 0.000 0.509 130 F N -0.500 119.521 119.950 0.118 0.000 2.685 130 F HA 0.839 5.381 4.527 0.025 0.000 0.315 130 F C -0.449 175.374 175.800 0.040 0.000 1.126 130 F CA -0.599 57.434 58.000 0.054 0.000 0.950 130 F CB 1.455 40.483 39.000 0.046 0.000 1.360 130 F HN 0.543 nan 8.300 nan 0.000 0.469 131 T N 2.092 116.844 114.554 0.330 0.000 2.921 131 T HA 0.576 4.941 4.350 0.025 0.000 0.297 131 T C -1.337 173.480 174.700 0.196 0.000 1.013 131 T CA -0.610 61.592 62.100 0.170 0.000 0.990 131 T CB 0.842 69.727 68.868 0.027 0.000 1.023 131 T HN 0.629 nan 8.240 nan 0.000 0.447 132 I N 7.064 127.735 120.570 0.168 0.000 2.379 132 I HA 0.280 4.465 4.170 0.025 0.000 0.290 132 I C -1.724 174.425 176.117 0.052 0.000 1.063 132 I CA -2.300 59.076 61.300 0.127 0.000 1.351 132 I CB 0.525 38.614 38.000 0.147 0.000 1.410 132 I HN 0.524 nan 8.210 nan 0.000 0.505 133 P HA 0.087 nan 4.420 nan 0.000 0.286 133 P C -0.192 177.116 177.300 0.013 0.000 1.278 133 P CA -0.115 63.000 63.100 0.025 0.000 0.785 133 P CB 0.609 32.329 31.700 0.033 0.000 1.269 134 S N -2.230 113.475 115.700 0.009 0.000 2.607 134 S HA 0.419 4.904 4.470 0.025 0.000 0.273 134 S C 0.984 175.587 174.600 0.005 0.000 1.148 134 S CA -0.645 57.557 58.200 0.003 0.000 0.833 134 S CB 0.378 63.576 63.200 -0.003 0.000 1.130 134 S HN 0.232 nan 8.310 nan 0.000 0.470 135 I N 1.737 122.309 120.570 0.004 0.000 2.162 135 I HA -0.015 4.170 4.170 0.025 0.000 0.238 135 I C 1.306 177.426 176.117 0.005 0.000 1.076 135 I CA 0.793 62.096 61.300 0.005 0.000 1.353 135 I CB -0.182 37.821 38.000 0.005 0.000 1.063 135 I HN 0.619 nan 8.210 nan 0.000 0.408 136 N N 2.542 121.243 118.700 0.002 0.000 2.819 136 N HA -0.037 4.718 4.740 0.025 0.000 0.284 136 N C 0.702 176.211 175.510 -0.001 0.000 1.196 136 N CA -0.130 52.920 53.050 0.000 0.000 1.114 136 N CB 0.014 38.500 38.487 -0.003 0.000 1.437 136 N HN 0.208 nan 8.380 nan 0.000 0.518 137 N N 1.740 120.441 118.700 0.002 0.000 2.268 137 N HA -0.354 4.401 4.740 0.025 0.000 0.201 137 N C 1.359 176.865 175.510 -0.006 0.000 0.971 137 N CA 1.266 54.317 53.050 0.002 0.000 0.926 137 N CB -0.210 38.280 38.487 0.005 0.000 1.031 137 N HN 0.731 nan 8.380 nan 0.000 0.505 138 E N 1.801 121.997 120.200 -0.008 0.000 2.012 138 E HA -0.140 4.225 4.350 0.025 0.000 0.197 138 E C 0.147 176.737 176.600 -0.017 0.000 1.007 138 E CA 1.330 57.722 56.400 -0.013 0.000 0.816 138 E CB -0.569 29.125 29.700 -0.011 0.000 0.762 138 E HN 0.443 nan 8.360 nan 0.000 0.451 139 T N 2.397 116.941 114.554 -0.016 0.000 2.902 139 T HA -0.005 4.361 4.350 0.025 0.000 0.317 139 T C -2.080 172.604 174.700 -0.027 0.000 1.064 139 T CA -0.646 61.441 62.100 -0.020 0.000 1.130 139 T CB -0.116 68.741 68.868 -0.017 0.000 1.073 139 T HN 0.180 nan 8.240 nan 0.000 0.524 140 P HA 0.235 nan 4.420 nan 0.000 0.271 140 P C 0.662 177.932 177.300 -0.051 0.000 1.226 140 P CA -0.207 62.866 63.100 -0.046 0.000 0.765 140 P CB 0.328 31.996 31.700 -0.054 0.000 0.835 141 G N 4.153 112.922 108.800 -0.051 0.000 2.614 141 G HA2 0.240 4.215 3.960 0.025 0.000 0.239 141 G HA3 0.240 4.215 3.960 0.025 0.000 0.239 141 G C 0.254 175.100 174.900 -0.089 0.000 1.240 141 G CA -0.648 44.423 45.100 -0.049 0.000 0.842 141 G HN 0.463 nan 8.290 nan 0.000 0.584 142 I N 1.322 121.838 120.570 -0.089 0.000 2.379 142 I HA 0.202 4.387 4.170 0.025 0.000 0.290 142 I C 0.718 176.658 176.117 -0.295 0.000 1.063 142 I CA 0.127 61.312 61.300 -0.192 0.000 1.351 142 I CB 0.297 38.227 38.000 -0.118 0.000 1.410 142 I HN 0.343 nan 8.210 nan 0.000 0.505 143 R N 6.124 126.365 120.500 -0.431 0.000 2.474 143 R HA 0.677 5.032 4.340 0.025 0.000 0.295 143 R C -1.176 174.676 176.300 -0.746 0.000 0.980 143 R CA -0.592 55.238 56.100 -0.451 0.000 0.934 143 R CB 1.932 32.059 30.300 -0.289 0.000 1.101 143 R HN 0.471 nan 8.270 nan 0.000 0.469 144 Y N -0.296 119.678 120.300 -0.543 0.000 2.818 144 Y HA 0.257 4.822 4.550 0.025 0.000 0.322 144 Y C -0.401 175.092 175.900 -0.678 0.000 1.323 144 Y CA -0.942 56.770 58.100 -0.647 0.000 1.090 144 Y CB 2.403 40.351 38.460 -0.853 0.000 1.328 144 Y HN 0.523 nan 8.280 nan 0.000 0.482 145 Q N -0.641 119.025 119.800 -0.223 0.000 2.522 145 Q HA 0.451 4.806 4.340 0.025 0.000 0.285 145 Q C -2.378 173.659 176.000 0.062 0.000 0.982 145 Q CA -1.081 54.690 55.803 -0.052 0.000 0.805 145 Q CB 1.947 30.678 28.738 -0.012 0.000 1.457 145 Q HN 0.609 nan 8.270 nan 0.000 0.394 146 Y N 1.331 121.700 120.300 0.116 0.000 2.304 146 Y HA 0.310 4.875 4.550 0.025 0.000 0.328 146 Y C 0.790 176.712 175.900 0.037 0.000 1.123 146 Y CA 0.012 58.180 58.100 0.113 0.000 1.218 146 Y CB 1.237 39.762 38.460 0.108 0.000 1.207 146 Y HN 0.712 nan 8.280 nan 0.000 0.495 147 N N 1.356 120.187 118.700 0.219 0.000 2.254 147 N HA 0.070 4.825 4.740 0.025 0.000 0.190 147 N C -0.432 175.150 175.510 0.121 0.000 1.107 147 N CA 0.440 53.567 53.050 0.129 0.000 0.869 147 N CB 0.892 39.434 38.487 0.092 0.000 0.983 147 N HN 0.382 nan 8.380 nan 0.000 0.487 148 V N -2.255 117.765 119.914 0.178 0.000 3.155 148 V HA 0.494 4.629 4.120 0.025 0.000 0.313 148 V C 0.000 176.041 176.094 -0.088 0.000 1.162 148 V CA -1.226 61.122 62.300 0.081 0.000 1.048 148 V CB 1.434 33.354 31.823 0.161 0.000 1.092 148 V HN -0.267 nan 8.190 nan 0.000 0.447 149 L N 3.070 124.152 121.223 -0.236 0.000 2.698 149 L HA 0.330 4.685 4.340 0.025 0.000 0.272 149 L C -2.204 174.228 176.870 -0.730 0.000 1.154 149 L CA -0.971 53.613 54.840 -0.428 0.000 0.964 149 L CB -0.669 41.108 42.059 -0.470 0.000 1.272 149 L HN 0.575 nan 8.230 nan 0.000 0.483 150 P HA 0.008 nan 4.420 nan 0.000 0.268 150 P C -0.450 176.518 177.300 -0.553 0.000 1.204 150 P CA -0.344 62.175 63.100 -0.968 0.000 0.768 150 P CB 0.396 31.316 31.700 -1.300 0.000 0.842 151 Q N 2.273 121.891 119.800 -0.304 0.000 2.271 151 Q HA 0.181 4.536 4.340 0.025 0.000 0.273 151 Q C 1.409 177.534 176.000 0.208 0.000 1.051 151 Q CA 1.549 57.450 55.803 0.162 0.000 0.901 151 Q CB -0.025 29.021 28.738 0.513 0.000 1.174 151 Q HN 0.882 nan 8.270 nan 0.000 0.385 152 G N 3.593 112.517 108.800 0.206 0.000 2.176 152 G HA2 -0.272 3.703 3.960 0.025 0.000 0.253 152 G HA3 -0.272 3.703 3.960 0.025 0.000 0.253 152 G C -0.323 174.683 174.900 0.176 0.000 0.979 152 G CA 0.174 45.389 45.100 0.193 0.000 0.641 152 G HN 0.629 nan 8.290 nan 0.000 0.530 153 W N 1.516 122.702 121.300 -0.190 0.000 2.237 153 W HA 0.637 5.313 4.660 0.025 0.000 0.335 153 W C 1.353 177.750 176.519 -0.202 0.000 1.230 153 W CA -0.392 56.765 57.345 -0.313 0.000 1.253 153 W CB 0.795 29.855 29.460 -0.667 0.000 1.129 153 W HN 0.040 nan 8.180 nan 0.000 0.590 154 K N 2.096 121.874 120.400 -1.037 0.000 2.034 154 K HA -0.187 4.148 4.320 0.025 0.000 0.214 154 K C 1.854 177.759 176.600 -1.158 0.000 1.051 154 K CA 2.228 57.969 56.287 -0.909 0.000 0.931 154 K CB -0.789 31.319 32.500 -0.652 0.000 0.715 154 K HN 0.778 nan 8.250 nan 0.000 0.446 155 G N -0.507 107.000 108.800 -2.155 0.000 2.572 155 G HA2 -0.118 3.857 3.960 0.025 0.000 0.216 155 G HA3 -0.118 3.857 3.960 0.025 0.000 0.216 155 G C 1.317 175.583 174.900 -1.056 0.000 1.133 155 G CA 0.521 44.418 45.100 -2.005 0.000 0.791 155 G HN 0.273 nan 8.290 nan 0.000 0.538 156 S N 1.847 117.156 115.700 -0.651 0.000 2.359 156 S HA -0.117 4.368 4.470 0.025 0.000 0.223 156 S C 0.147 174.557 174.600 -0.316 0.000 1.039 156 S CA 1.678 59.618 58.200 -0.433 0.000 1.042 156 S CB -0.894 61.991 63.200 -0.524 0.000 0.915 156 S HN 0.326 nan 8.310 nan 0.000 0.439 157 P HA -0.032 nan 4.420 nan 0.000 0.215 157 P C 1.520 178.775 177.300 -0.076 0.000 1.157 157 P CA 1.509 64.587 63.100 -0.036 0.000 0.868 157 P CB -0.132 31.522 31.700 -0.077 0.000 0.788 158 A N -0.784 121.893 122.820 -0.237 0.000 1.873 158 A HA -0.162 4.173 4.320 0.025 0.000 0.215 158 A C 2.222 179.699 177.584 -0.179 0.000 1.186 158 A CA 1.485 53.396 52.037 -0.210 0.000 0.616 158 A CB -1.598 17.210 19.000 -0.321 0.000 0.823 158 A HN 0.102 nan 8.150 nan 0.000 0.442 159 I N -1.992 118.422 120.570 -0.260 0.000 2.353 159 I HA -0.170 4.015 4.170 0.025 0.000 0.248 159 I C 2.345 178.391 176.117 -0.119 0.000 1.119 159 I CA 1.296 62.490 61.300 -0.177 0.000 1.417 159 I CB -0.307 37.581 38.000 -0.187 0.000 1.078 159 I HN 0.464 nan 8.210 nan 0.000 0.421 160 F N 1.583 121.413 119.950 -0.200 0.000 2.102 160 F HA -0.293 4.249 4.527 0.025 0.000 0.298 160 F C 2.710 178.450 175.800 -0.100 0.000 1.105 160 F CA 1.887 59.802 58.000 -0.142 0.000 1.239 160 F CB -0.266 38.671 39.000 -0.104 0.000 0.991 160 F HN 0.006 nan 8.300 nan 0.000 0.474 161 Q N -0.415 119.300 119.800 -0.142 0.000 2.167 161 Q HA -0.203 4.152 4.340 0.025 0.000 0.202 161 Q C 2.381 178.241 176.000 -0.235 0.000 0.970 161 Q CA 1.604 57.281 55.803 -0.209 0.000 0.855 161 Q CB -0.296 28.415 28.738 -0.045 0.000 0.911 161 Q HN 0.480 nan 8.270 nan 0.000 0.438 162 S N -0.412 115.182 115.700 -0.177 0.000 2.368 162 S HA -0.132 4.353 4.470 0.025 0.000 0.225 162 S C 2.001 176.472 174.600 -0.216 0.000 1.030 162 S CA 1.648 59.761 58.200 -0.146 0.000 0.999 162 S CB -0.210 62.933 63.200 -0.095 0.000 0.844 162 S HN 0.488 nan 8.310 nan 0.000 0.459 163 S N 1.304 116.834 115.700 -0.284 0.000 2.359 163 S HA -0.116 4.369 4.470 0.025 0.000 0.224 163 S C 1.844 176.193 174.600 -0.418 0.000 1.035 163 S CA 1.708 59.708 58.200 -0.333 0.000 1.018 163 S CB -0.505 62.490 63.200 -0.342 0.000 0.876 163 S HN 0.547 nan 8.310 nan 0.000 0.448 164 M N 2.039 121.317 119.600 -0.536 0.000 2.149 164 M HA -0.092 4.403 4.480 0.025 0.000 0.261 164 M C 1.955 178.070 176.300 -0.308 0.000 1.064 164 M CA 1.594 56.608 55.300 -0.476 0.000 1.102 164 M CB -1.392 30.886 32.600 -0.537 0.000 1.369 164 M HN 0.224 nan 8.290 nan 0.000 0.408 165 T N 0.284 114.689 114.554 -0.249 0.000 2.684 165 T HA -0.174 4.191 4.350 0.025 0.000 0.267 165 T C 1.794 176.399 174.700 -0.158 0.000 1.036 165 T CA 1.866 63.870 62.100 -0.161 0.000 1.148 165 T CB -0.212 68.585 68.868 -0.119 0.000 0.863 165 T HN 0.443 nan 8.240 nan 0.000 0.436 166 K N 0.412 120.690 120.400 -0.203 0.000 2.155 166 K HA 0.156 4.491 4.320 0.025 0.000 0.203 166 K C 2.152 178.578 176.600 -0.290 0.000 1.052 166 K CA 0.794 56.956 56.287 -0.207 0.000 0.948 166 K CB -0.135 32.237 32.500 -0.213 0.000 0.728 166 K HN 0.342 nan 8.250 nan 0.000 0.448 167 I N 0.791 121.111 120.570 -0.418 0.000 2.500 167 I HA -0.191 3.994 4.170 0.025 0.000 0.252 167 I C 1.796 177.791 176.117 -0.204 0.000 1.142 167 I CA 1.003 61.952 61.300 -0.586 0.000 1.451 167 I CB -0.057 37.457 38.000 -0.811 0.000 1.093 167 I HN 0.125 nan 8.210 nan 0.000 0.430 168 L N 0.303 121.457 121.223 -0.114 0.000 2.492 168 L HA -0.093 4.262 4.340 0.025 0.000 0.223 168 L C 2.317 179.261 176.870 0.123 0.000 1.132 168 L CA 0.318 55.191 54.840 0.054 0.000 0.850 168 L CB -0.378 41.678 42.059 -0.005 0.000 0.966 168 L HN 0.196 nan 8.230 nan 0.000 0.454 169 E N 1.309 121.536 120.200 0.045 0.000 2.055 169 E HA -0.231 4.134 4.350 0.025 0.000 0.209 169 E C -0.619 176.030 176.600 0.080 0.000 1.036 169 E CA 2.179 58.605 56.400 0.044 0.000 0.849 169 E CB -0.965 28.736 29.700 0.002 0.000 0.767 169 E HN 0.230 nan 8.360 nan 0.000 0.461 170 P HA -0.127 nan 4.420 nan 0.000 0.213 170 P C 1.248 178.576 177.300 0.047 0.000 1.170 170 P CA 1.390 64.536 63.100 0.078 0.000 0.898 170 P CB -0.281 31.488 31.700 0.116 0.000 0.787 171 F N 0.588 120.493 119.950 -0.076 0.000 2.087 171 F HA -0.270 4.272 4.527 0.025 0.000 0.299 171 F C 2.353 178.135 175.800 -0.030 0.000 1.100 171 F CA 1.747 59.691 58.000 -0.094 0.000 1.226 171 F CB -0.480 38.510 39.000 -0.018 0.000 0.983 171 F HN -0.276 nan 8.300 nan 0.000 0.479 172 R N 0.009 120.605 120.500 0.159 0.000 2.091 172 R HA -0.181 4.174 4.340 0.025 0.000 0.238 172 R C 2.210 178.485 176.300 -0.041 0.000 1.136 172 R CA 1.925 58.064 56.100 0.065 0.000 0.959 172 R CB -0.253 30.107 30.300 0.099 0.000 0.856 172 R HN 0.251 nan 8.270 nan 0.000 0.437 173 K N 0.194 120.574 120.400 -0.033 0.000 2.057 173 K HA -0.162 4.173 4.320 0.025 0.000 0.206 173 K C 2.057 178.601 176.600 -0.093 0.000 1.050 173 K CA 1.451 57.710 56.287 -0.047 0.000 0.935 173 K CB 0.061 32.548 32.500 -0.023 0.000 0.715 173 K HN 0.222 nan 8.250 nan 0.000 0.439 174 Q N 0.090 119.798 119.800 -0.154 0.000 2.378 174 Q HA 0.025 4.380 4.340 0.025 0.000 0.205 174 Q C -0.082 175.763 176.000 -0.258 0.000 0.954 174 Q CA 0.545 56.230 55.803 -0.196 0.000 0.901 174 Q CB 0.301 28.898 28.738 -0.235 0.000 0.981 174 Q HN 0.200 nan 8.270 nan 0.000 0.483 175 N N 0.772 119.282 118.700 -0.318 0.000 2.791 175 N HA 0.115 4.870 4.740 0.025 0.000 0.265 175 N C -2.188 173.233 175.510 -0.148 0.000 1.580 175 N CA -0.863 52.007 53.050 -0.299 0.000 0.809 175 N CB 1.338 39.480 38.487 -0.576 0.000 1.178 175 N HN 0.081 nan 8.380 nan 0.000 0.499 176 P HA -0.105 nan 4.420 nan 0.000 0.216 176 P C 0.252 177.541 177.300 -0.018 0.000 1.150 176 P CA 1.182 64.257 63.100 -0.041 0.000 0.837 176 P CB 0.440 32.119 31.700 -0.035 0.000 0.786 177 D N 0.001 120.388 120.400 -0.022 0.000 2.332 177 D HA 0.135 4.790 4.640 0.025 0.000 0.244 177 D C 0.672 176.991 176.300 0.031 0.000 1.136 177 D CA 0.532 54.535 54.000 0.004 0.000 0.884 177 D CB 0.095 40.895 40.800 0.001 0.000 0.906 177 D HN 0.341 nan 8.370 nan 0.000 0.520 178 I N 0.866 121.458 120.570 0.037 0.000 2.466 178 I HA 0.154 4.339 4.170 0.025 0.000 0.289 178 I C -0.445 175.735 176.117 0.105 0.000 1.026 178 I CA -0.866 60.489 61.300 0.092 0.000 1.078 178 I CB 2.746 40.820 38.000 0.123 0.000 1.249 178 I HN -0.385 nan 8.210 nan 0.000 0.429 179 V N 7.326 127.305 119.914 0.108 0.000 2.394 179 V HA 0.474 4.609 4.120 0.025 0.000 0.282 179 V C 0.051 176.215 176.094 0.116 0.000 1.031 179 V CA -0.326 62.031 62.300 0.096 0.000 0.881 179 V CB 1.550 33.410 31.823 0.061 0.000 0.982 179 V HN 0.460 nan 8.190 nan 0.000 0.451 180 I N 4.981 125.621 120.570 0.118 0.000 2.509 180 I HA 0.472 4.657 4.170 0.025 0.000 0.293 180 I C -1.252 174.940 176.117 0.124 0.000 1.020 180 I CA -0.834 60.532 61.300 0.110 0.000 1.088 180 I CB 2.051 40.105 38.000 0.089 0.000 1.267 180 I HN 0.652 nan 8.210 nan 0.000 0.430 181 Y N 6.294 126.584 120.300 -0.016 0.000 2.338 181 Y HA 0.372 4.937 4.550 0.026 0.000 0.333 181 Y C -0.885 175.023 175.900 0.014 0.000 0.968 181 Y CA -0.613 57.474 58.100 -0.022 0.000 1.123 181 Y CB 1.310 39.713 38.460 -0.094 0.000 1.165 181 Y HN 0.549 nan 8.280 nan 0.000 0.452 182 Q N 6.165 125.653 119.800 -0.520 0.000 2.293 182 Q HA 0.453 4.809 4.340 0.025 0.000 0.261 182 Q C -2.041 173.706 176.000 -0.422 0.000 0.960 182 Q CA -0.949 54.661 55.803 -0.321 0.000 0.882 182 Q CB 2.800 31.442 28.738 -0.161 0.000 1.275 182 Q HN 0.808 nan 8.270 nan 0.000 0.445 183 Y N 3.565 123.702 120.300 -0.271 0.000 2.436 183 Y HA 0.362 4.928 4.550 0.026 0.000 0.327 183 Y C -0.162 175.764 175.900 0.043 0.000 1.138 183 Y CA -0.663 57.378 58.100 -0.098 0.000 1.042 183 Y CB 1.474 39.986 38.460 0.087 0.000 1.302 183 Y HN 0.980 nan 8.280 nan 0.000 0.439 184 M N 2.586 121.799 119.600 -0.646 0.000 7.319 184 M HA -0.360 4.135 4.480 0.025 0.000 0.321 184 M C -0.972 175.181 176.300 -0.245 0.000 0.480 184 M CA 2.769 57.730 55.300 -0.566 0.000 1.311 184 M CB -0.996 31.135 32.600 -0.781 0.000 0.421 184 M HN 0.893 nan 8.290 nan 0.000 0.817 185 D N 0.869 121.129 120.400 -0.233 0.000 3.018 185 D HA 0.452 5.107 4.640 0.025 0.000 0.331 185 D C -1.475 174.807 176.300 -0.029 0.000 1.334 185 D CA -0.083 53.819 54.000 -0.164 0.000 0.900 185 D CB 0.233 40.840 40.800 -0.321 0.000 1.059 185 D HN 0.314 nan 8.370 nan 0.000 0.498 186 D N 0.478 120.907 120.400 0.049 0.000 2.855 186 D HA 0.301 4.956 4.640 0.025 0.000 0.241 186 D C -0.947 175.410 176.300 0.095 0.000 1.277 186 D CA -0.391 53.665 54.000 0.092 0.000 0.918 186 D CB 1.776 42.679 40.800 0.172 0.000 1.462 186 D HN 0.027 nan 8.370 nan 0.000 0.559 187 L N 2.116 123.373 121.223 0.058 0.000 2.272 187 L HA 0.462 4.817 4.340 0.025 0.000 0.289 187 L C -0.494 176.391 176.870 0.025 0.000 1.032 187 L CA -0.811 54.051 54.840 0.036 0.000 0.810 187 L CB 1.473 43.540 42.059 0.014 0.000 1.205 187 L HN 0.424 nan 8.230 nan 0.000 0.422 188 C N 5.510 124.843 119.300 0.055 0.000 2.271 188 C HA 0.603 5.079 4.460 0.025 0.000 0.323 188 C C 0.045 175.061 174.990 0.043 0.000 1.245 188 C CA -0.429 58.586 59.018 -0.004 0.000 1.548 188 C CB 0.314 28.023 27.740 -0.051 0.000 2.214 188 C HN 0.540 nan 8.230 nan 0.000 0.477 189 V N 6.466 126.416 119.914 0.060 0.000 2.370 189 V HA 0.802 4.937 4.120 0.025 0.000 0.283 189 V C 0.832 177.051 176.094 0.208 0.000 1.023 189 V CA 0.070 62.444 62.300 0.123 0.000 0.857 189 V CB 1.240 33.124 31.823 0.102 0.000 0.985 189 V HN 1.062 nan 8.190 nan 0.000 0.443 190 G N 2.824 111.732 108.800 0.180 0.000 2.533 190 G HA2 0.839 4.814 3.960 0.025 0.000 0.304 190 G HA3 0.839 4.814 3.960 0.025 0.000 0.304 190 G C -0.741 174.255 174.900 0.160 0.000 1.263 190 G CA -0.115 45.074 45.100 0.149 0.000 0.964 190 G HN 1.099 nan 8.290 nan 0.000 0.479 191 S N -0.875 114.868 115.700 0.072 0.000 2.627 191 S HA 0.428 4.913 4.470 0.025 0.000 0.268 191 S C -1.457 173.145 174.600 0.002 0.000 1.130 191 S CA -0.735 57.515 58.200 0.083 0.000 0.819 191 S CB 1.949 65.290 63.200 0.235 0.000 1.100 191 S HN 0.339 nan 8.310 nan 0.000 0.465 192 D N 1.022 121.436 120.400 0.023 0.000 2.559 192 D HA 0.357 5.012 4.640 0.025 0.000 0.234 192 D C 0.083 176.395 176.300 0.021 0.000 1.226 192 D CA 0.032 54.035 54.000 0.005 0.000 0.830 192 D CB 0.126 40.927 40.800 0.002 0.000 1.028 192 D HN 0.422 nan 8.370 nan 0.000 0.492 193 L N 0.358 121.611 121.223 0.050 0.000 2.454 193 L HA 0.239 4.594 4.340 0.025 0.000 0.256 193 L C 1.091 177.994 176.870 0.056 0.000 1.136 193 L CA -0.860 54.019 54.840 0.065 0.000 0.804 193 L CB 0.743 42.869 42.059 0.111 0.000 1.181 193 L HN -0.232 nan 8.230 nan 0.000 0.469 194 E N 0.980 121.213 120.200 0.055 0.000 2.398 194 E HA 0.024 4.389 4.350 0.025 0.000 0.263 194 E C 1.082 177.727 176.600 0.075 0.000 1.046 194 E CA 0.013 56.441 56.400 0.047 0.000 0.908 194 E CB 0.964 30.686 29.700 0.038 0.000 0.963 194 E HN 0.561 nan 8.360 nan 0.000 0.431 195 I N -0.551 120.055 120.570 0.060 0.000 2.248 195 I HA -0.203 3.982 4.170 0.025 0.000 0.248 195 I C 1.672 177.861 176.117 0.120 0.000 1.107 195 I CA 1.993 63.346 61.300 0.088 0.000 1.373 195 I CB -0.529 37.504 38.000 0.055 0.000 1.055 195 I HN 0.439 nan 8.210 nan 0.000 0.418 196 G N 0.717 109.567 108.800 0.083 0.000 2.404 196 G HA2 -0.195 3.780 3.960 0.025 0.000 0.215 196 G HA3 -0.195 3.780 3.960 0.025 0.000 0.215 196 G C 1.605 176.553 174.900 0.080 0.000 1.174 196 G CA 0.739 45.883 45.100 0.073 0.000 0.780 196 G HN 0.597 nan 8.290 nan 0.000 0.537 197 Q N -0.564 119.285 119.800 0.082 0.000 2.084 197 Q HA -0.145 4.210 4.340 0.025 0.000 0.202 197 Q C 2.258 178.319 176.000 0.102 0.000 0.978 197 Q CA 1.464 57.313 55.803 0.076 0.000 0.844 197 Q CB -0.306 28.472 28.738 0.067 0.000 0.898 197 Q HN 0.712 nan 8.270 nan 0.000 0.426 198 H N 1.196 120.297 119.070 0.051 0.000 2.321 198 H HA -0.079 4.492 4.556 0.025 0.000 0.300 198 H C 2.221 177.594 175.328 0.075 0.000 1.087 198 H CA 1.833 57.920 56.048 0.066 0.000 1.319 198 H CB 0.077 29.876 29.762 0.061 0.000 1.379 198 H HN 0.011 nan 8.280 nan 0.000 0.501 199 R N -0.144 120.424 120.500 0.112 0.000 2.105 199 R HA -0.133 4.222 4.340 0.025 0.000 0.239 199 R C 1.768 178.074 176.300 0.011 0.000 1.135 199 R CA 1.978 58.113 56.100 0.058 0.000 0.967 199 R CB -0.614 29.740 30.300 0.090 0.000 0.861 199 R HN 0.411 nan 8.270 nan 0.000 0.442 200 T N 1.450 116.021 114.554 0.027 0.000 2.737 200 T HA -0.059 4.306 4.350 0.025 0.000 0.265 200 T C 1.743 176.462 174.700 0.032 0.000 1.038 200 T CA 1.106 63.224 62.100 0.031 0.000 1.144 200 T CB -0.032 68.859 68.868 0.038 0.000 0.866 200 T HN 0.174 nan 8.240 nan 0.000 0.434 201 K N 0.929 121.342 120.400 0.022 0.000 2.147 201 K HA 0.052 4.387 4.320 0.025 0.000 0.205 201 K C 2.179 178.831 176.600 0.087 0.000 1.049 201 K CA 0.607 56.947 56.287 0.089 0.000 0.936 201 K CB -0.498 32.053 32.500 0.084 0.000 0.722 201 K HN 0.321 nan 8.250 nan 0.000 0.446 202 I N 1.093 121.623 120.570 -0.066 0.000 2.142 202 I HA -0.239 3.946 4.170 0.025 0.000 0.240 202 I C 2.314 178.413 176.117 -0.030 0.000 1.078 202 I CA 1.312 62.559 61.300 -0.088 0.000 1.343 202 I CB -0.970 36.965 38.000 -0.108 0.000 1.046 202 I HN 0.169 nan 8.210 nan 0.000 0.405 203 E N 1.194 121.396 120.200 0.003 0.000 2.160 203 E HA -0.263 4.102 4.350 0.025 0.000 0.195 203 E C 2.102 178.729 176.600 0.045 0.000 0.991 203 E CA 1.552 57.967 56.400 0.024 0.000 0.810 203 E CB -0.200 29.519 29.700 0.032 0.000 0.742 203 E HN 0.490 nan 8.360 nan 0.000 0.466 204 E N -0.333 119.915 120.200 0.080 0.000 2.072 204 E HA -0.139 4.226 4.350 0.025 0.000 0.191 204 E C 2.156 178.829 176.600 0.121 0.000 0.985 204 E CA 0.843 57.330 56.400 0.144 0.000 0.801 204 E CB -0.192 29.651 29.700 0.238 0.000 0.750 204 E HN 0.364 nan 8.360 nan 0.000 0.452 205 L N 0.625 121.817 121.223 -0.051 0.000 2.027 205 L HA -0.163 4.192 4.340 0.025 0.000 0.206 205 L C 2.693 179.486 176.870 -0.127 0.000 1.074 205 L CA 1.282 55.876 54.840 -0.409 0.000 0.745 205 L CB -0.243 41.407 42.059 -0.683 0.000 0.898 205 L HN 0.159 nan 8.230 nan 0.000 0.433 206 R N -0.561 119.903 120.500 -0.059 0.000 2.091 206 R HA -0.223 4.132 4.340 0.025 0.000 0.238 206 R C 2.237 178.559 176.300 0.037 0.000 1.136 206 R CA 1.860 57.956 56.100 -0.006 0.000 0.959 206 R CB -0.087 30.220 30.300 0.012 0.000 0.856 206 R HN 0.542 nan 8.270 nan 0.000 0.437 207 Q N -1.584 118.254 119.800 0.064 0.000 2.311 207 Q HA -0.142 4.213 4.340 0.025 0.000 0.203 207 Q C 1.862 177.945 176.000 0.137 0.000 0.954 207 Q CA 0.876 56.729 55.803 0.084 0.000 0.885 207 Q CB 0.026 28.812 28.738 0.081 0.000 0.963 207 Q HN 0.559 nan 8.270 nan 0.000 0.471 208 H N 0.501 119.607 119.070 0.061 0.000 2.363 208 H HA -0.040 4.531 4.556 0.025 0.000 0.301 208 H C 1.938 177.404 175.328 0.230 0.000 1.074 208 H CA 0.821 56.950 56.048 0.135 0.000 1.354 208 H CB 0.234 30.069 29.762 0.121 0.000 1.397 208 H HN 0.186 nan 8.280 nan 0.000 0.516 209 L N 0.365 121.593 121.223 0.009 0.000 2.005 209 L HA -0.190 4.165 4.340 0.025 0.000 0.207 209 L C 2.780 179.713 176.870 0.105 0.000 1.072 209 L CA 0.682 55.522 54.840 -0.001 0.000 0.744 209 L CB -0.423 41.624 42.059 -0.020 0.000 0.895 209 L HN 0.252 nan 8.230 nan 0.000 0.433 210 L N 0.247 121.515 121.223 0.075 0.000 2.189 210 L HA -0.225 4.130 4.340 0.025 0.000 0.214 210 L C 2.637 179.530 176.870 0.039 0.000 1.097 210 L CA 1.590 56.469 54.840 0.065 0.000 0.764 210 L CB -0.605 41.484 42.059 0.050 0.000 0.900 210 L HN 0.134 nan 8.230 nan 0.000 0.436 211 R N -1.675 118.830 120.500 0.008 0.000 2.237 211 R HA -0.181 4.174 4.340 0.025 0.000 0.219 211 R C 1.044 177.151 176.300 -0.322 0.000 1.080 211 R CA 1.384 57.388 56.100 -0.160 0.000 0.995 211 R CB -0.228 29.945 30.300 -0.211 0.000 0.875 211 R HN 0.529 nan 8.270 nan 0.000 0.462 212 W N -1.018 120.244 121.300 -0.063 0.000 3.239 212 W HA 0.345 5.020 4.660 0.025 0.000 0.348 212 W C 1.060 177.567 176.519 -0.020 0.000 1.183 212 W CA 0.427 57.739 57.345 -0.055 0.000 1.819 212 W CB 0.905 30.301 29.460 -0.107 0.000 1.091 212 W HN 0.261 nan 8.180 nan 0.000 0.629 213 G N 0.284 109.170 108.800 0.145 0.000 2.176 213 G HA2 -0.262 3.713 3.960 0.025 0.000 0.232 213 G HA3 -0.262 3.713 3.960 0.025 0.000 0.232 213 G C -0.102 174.875 174.900 0.129 0.000 0.986 213 G CA -0.488 44.682 45.100 0.117 0.000 0.643 213 G HN 0.102 nan 8.290 nan 0.000 0.522 214 L N 1.946 123.254 121.223 0.142 0.000 2.275 214 L HA 0.549 4.904 4.340 0.025 0.000 0.288 214 L C 0.463 177.396 176.870 0.104 0.000 1.046 214 L CA -0.494 54.428 54.840 0.136 0.000 0.805 214 L CB 1.569 43.712 42.059 0.139 0.000 1.193 214 L HN 0.081 nan 8.230 nan 0.000 0.426 215 T N 1.496 116.111 114.554 0.101 0.000 2.907 215 T HA 0.582 4.947 4.350 0.025 0.000 0.284 215 T C -0.057 174.687 174.700 0.074 0.000 1.004 215 T CA -0.340 61.807 62.100 0.078 0.000 1.063 215 T CB 1.727 70.635 68.868 0.067 0.000 0.992 215 T HN 0.575 nan 8.240 nan 0.000 0.483 216 T N 2.984 117.577 114.554 0.066 0.000 2.883 216 T HA 0.547 4.912 4.350 0.025 0.000 0.301 216 T C -2.642 172.105 174.700 0.078 0.000 1.158 216 T CA -1.148 60.991 62.100 0.065 0.000 1.007 216 T CB 1.714 70.616 68.868 0.057 0.000 1.186 216 T HN 0.274 nan 8.240 nan 0.000 0.499 217 P HA 0.421 nan 4.420 nan 0.000 0.274 217 P C -0.591 176.823 177.300 0.190 0.000 1.237 217 P CA -0.419 62.783 63.100 0.170 0.000 0.793 217 P CB 0.422 32.230 31.700 0.180 0.000 0.977 218 D N 0.109 120.666 120.400 0.260 0.000 2.380 218 D HA 0.054 4.709 4.640 0.025 0.000 0.254 218 D C 1.207 177.517 176.300 0.018 0.000 1.288 218 D CA -0.123 53.931 54.000 0.091 0.000 1.008 218 D CB 0.339 41.157 40.800 0.030 0.000 1.099 218 D HN 0.155 nan 8.370 nan 0.000 0.537 219 K N 0.081 120.472 120.400 -0.015 0.000 2.360 219 K HA -0.086 4.249 4.320 0.025 0.000 0.201 219 K C 1.067 177.629 176.600 -0.064 0.000 1.046 219 K CA 1.267 57.548 56.287 -0.010 0.000 0.945 219 K CB 0.191 32.693 32.500 0.002 0.000 0.750 219 K HN 0.129 nan 8.250 nan 0.000 0.464 220 K N -0.448 119.830 120.400 -0.205 0.000 2.366 220 K HA -0.035 4.300 4.320 0.025 0.000 0.198 220 K C 1.047 177.438 176.600 -0.347 0.000 1.044 220 K CA 0.910 57.008 56.287 -0.314 0.000 0.973 220 K CB -0.010 32.217 32.500 -0.456 0.000 0.767 220 K HN 0.396 nan 8.250 nan 0.000 0.475 221 H N 0.412 119.510 119.070 0.047 0.000 2.855 221 H HA 0.180 4.751 4.556 0.025 0.000 0.259 221 H C 0.210 175.576 175.328 0.063 0.000 0.972 221 H CA -0.255 55.822 56.048 0.049 0.000 1.213 221 H CB 0.339 30.125 29.762 0.040 0.000 1.451 221 H HN 0.176 nan 8.280 nan 0.000 0.484 222 Q N 2.169 122.062 119.800 0.155 0.000 2.333 222 Q HA 0.040 4.395 4.340 0.025 0.000 0.299 222 Q C 0.073 176.169 176.000 0.161 0.000 1.067 222 Q CA 0.589 56.477 55.803 0.141 0.000 0.943 222 Q CB 1.073 29.884 28.738 0.121 0.000 1.233 222 Q HN 0.189 nan 8.270 nan 0.000 0.401 223 K N 2.079 122.591 120.400 0.187 0.000 2.295 223 K HA 0.083 4.418 4.320 0.025 0.000 0.270 223 K C -0.429 176.410 176.600 0.399 0.000 1.011 223 K CA -0.230 56.211 56.287 0.257 0.000 0.953 223 K CB 0.543 33.190 32.500 0.245 0.000 0.956 223 K HN 0.402 nan 8.250 nan 0.000 0.477 224 E N 3.243 123.614 120.200 0.284 0.000 2.180 224 E HA 0.123 4.488 4.350 0.025 0.000 0.283 224 E C -2.444 174.016 176.600 -0.234 0.000 1.061 224 E CA -1.915 54.553 56.400 0.114 0.000 0.861 224 E CB 0.681 30.414 29.700 0.054 0.000 1.056 224 E HN 0.165 nan 8.360 nan 0.000 0.407 225 P HA 0.198 nan 4.420 nan 0.000 0.282 225 P C -2.444 174.578 177.300 -0.463 0.000 1.262 225 P CA -1.367 60.958 63.100 -1.291 0.000 0.773 225 P CB 0.404 31.611 31.700 -0.822 0.000 0.879 226 P HA 0.024 nan 4.420 nan 0.000 0.263 226 P C -0.957 176.106 177.300 -0.395 0.000 1.175 226 P CA 0.723 63.610 63.100 -0.356 0.000 0.761 226 P CB 0.087 31.710 31.700 -0.128 0.000 0.794 227 F N 1.562 121.545 119.950 0.054 0.000 2.469 227 F HA 0.384 4.926 4.527 0.025 0.000 0.332 227 F C 0.311 176.187 175.800 0.127 0.000 1.103 227 F CA -0.943 57.112 58.000 0.092 0.000 0.979 227 F CB 0.760 39.813 39.000 0.088 0.000 1.137 227 F HN 0.010 nan 8.300 nan 0.000 0.463 228 L N 2.455 123.879 121.223 0.335 0.000 2.315 228 L HA 0.207 4.562 4.340 0.025 0.000 0.283 228 L C -1.183 175.890 176.870 0.339 0.000 1.089 228 L CA -0.070 54.919 54.840 0.248 0.000 0.833 228 L CB 0.464 42.617 42.059 0.157 0.000 1.170 228 L HN 0.667 nan 8.230 nan 0.000 0.442 229 W N 7.299 128.658 121.300 0.098 0.000 2.664 229 W HA 0.419 5.094 4.660 0.024 0.000 0.314 229 W C -0.596 175.955 176.519 0.052 0.000 1.010 229 W CA -0.974 56.402 57.345 0.051 0.000 1.306 229 W CB 1.009 30.478 29.460 0.015 0.000 1.254 229 W HN 0.378 nan 8.180 nan 0.000 0.404 230 M N 5.374 124.741 119.600 -0.389 0.000 3.179 230 M HA -0.190 4.305 4.480 0.025 0.000 0.169 230 M C 1.093 177.302 176.300 -0.151 0.000 1.319 230 M CA 1.820 56.888 55.300 -0.387 0.000 0.819 230 M CB -2.281 29.882 32.600 -0.727 0.000 1.251 230 M HN 1.258 nan 8.290 nan 0.000 0.673 231 G N -0.658 108.044 108.800 -0.162 0.000 2.396 231 G HA2 -0.330 3.645 3.960 0.025 0.000 0.242 231 G HA3 -0.330 3.645 3.960 0.025 0.000 0.242 231 G C -0.118 174.648 174.900 -0.223 0.000 1.069 231 G CA 0.588 45.533 45.100 -0.258 0.000 0.633 231 G HN 0.676 nan 8.290 nan 0.000 0.517 232 Y N 0.867 121.181 120.300 0.025 0.000 2.432 232 Y HA 0.684 5.248 4.550 0.024 0.000 0.322 232 Y C 0.749 176.721 175.900 0.120 0.000 1.246 232 Y CA -0.744 57.408 58.100 0.086 0.000 1.268 232 Y CB 1.009 39.477 38.460 0.014 0.000 1.276 232 Y HN 0.125 nan 8.280 nan 0.000 0.499 233 E N 1.898 122.273 120.200 0.291 0.000 2.145 233 E HA 0.420 4.785 4.350 0.025 0.000 0.270 233 E C -1.510 175.119 176.600 0.049 0.000 0.906 233 E CA -0.468 56.001 56.400 0.115 0.000 0.761 233 E CB 1.004 30.718 29.700 0.023 0.000 1.116 233 E HN 0.458 nan 8.360 nan 0.000 0.408 234 L N 4.600 125.857 121.223 0.056 0.000 2.282 234 L HA 0.416 4.771 4.340 0.025 0.000 0.288 234 L C -0.100 176.717 176.870 -0.088 0.000 1.033 234 L CA -0.782 54.132 54.840 0.123 0.000 0.807 234 L CB 0.762 43.002 42.059 0.302 0.000 1.209 234 L HN 0.418 nan 8.230 nan 0.000 0.423 235 H N 3.685 122.903 119.070 0.247 0.000 2.492 235 H HA 0.247 4.818 4.556 0.025 0.000 0.345 235 H C -1.795 173.676 175.328 0.238 0.000 1.136 235 H CA -2.163 53.965 56.048 0.133 0.000 1.202 235 H CB 1.898 31.715 29.762 0.091 0.000 1.524 235 H HN 0.362 nan 8.280 nan 0.000 0.506 236 P HA -0.088 nan 4.420 nan 0.000 0.236 236 P C 0.303 177.764 177.300 0.268 0.000 1.172 236 P CA 1.003 64.222 63.100 0.199 0.000 0.759 236 P CB 0.305 32.055 31.700 0.084 0.000 0.843 237 D N -1.263 119.359 120.400 0.371 0.000 2.525 237 D HA 0.089 4.744 4.640 0.025 0.000 0.231 237 D C 0.520 176.996 176.300 0.294 0.000 1.216 237 D CA 0.091 54.287 54.000 0.327 0.000 0.813 237 D CB 0.528 41.416 40.800 0.146 0.000 1.108 237 D HN 0.291 nan 8.370 nan 0.000 0.524 238 K N -0.918 119.622 120.400 0.233 0.000 2.772 238 K HA 0.402 4.737 4.320 0.025 0.000 0.292 238 K C -1.642 174.884 176.600 -0.124 0.000 1.049 238 K CA -1.137 54.968 56.287 -0.303 0.000 0.846 238 K CB 0.842 33.231 32.500 -0.184 0.000 1.514 238 K HN 0.049 nan 8.250 nan 0.000 0.373 239 W N 0.594 121.754 121.300 -0.233 0.000 2.902 239 W HA 0.742 5.416 4.660 0.024 0.000 0.346 239 W C -1.188 175.400 176.519 0.114 0.000 1.139 239 W CA -0.676 56.645 57.345 -0.040 0.000 1.139 239 W CB 1.268 30.668 29.460 -0.100 0.000 1.439 239 W HN 0.946 nan 8.180 nan 0.000 0.558 240 T N -1.803 113.099 114.554 0.579 0.000 2.838 240 T HA 0.632 4.997 4.350 0.025 0.000 0.292 240 T C -1.269 173.758 174.700 0.545 0.000 1.113 240 T CA -0.703 61.691 62.100 0.490 0.000 1.008 240 T CB 1.636 70.703 68.868 0.331 0.000 1.259 240 T HN 0.413 nan 8.240 nan 0.000 0.520 241 V N 1.776 121.915 119.914 0.375 0.000 2.398 241 V HA 0.373 4.508 4.120 0.025 0.000 0.286 241 V C 0.326 176.512 176.094 0.153 0.000 1.026 241 V CA -0.940 61.487 62.300 0.212 0.000 0.868 241 V CB 1.103 33.040 31.823 0.190 0.000 0.982 241 V HN 0.922 nan 8.190 nan 0.000 0.443 242 Q N 6.184 126.025 119.800 0.069 0.000 2.247 242 Q HA 0.111 4.466 4.340 0.025 0.000 0.288 242 Q C -2.000 174.033 176.000 0.055 0.000 1.079 242 Q CA -1.043 54.788 55.803 0.047 0.000 0.932 242 Q CB 0.243 28.972 28.738 -0.016 0.000 1.133 242 Q HN 0.535 nan 8.270 nan 0.000 0.377 243 P HA -0.089 nan 4.420 nan 0.000 0.263 243 P C -0.629 176.683 177.300 0.021 0.000 1.175 243 P CA 0.757 63.904 63.100 0.077 0.000 0.761 243 P CB 0.542 32.279 31.700 0.061 0.000 0.794 244 I N 3.210 123.787 120.570 0.012 0.000 2.331 244 I HA 0.153 4.338 4.170 0.025 0.000 0.292 244 I C 0.631 176.720 176.117 -0.048 0.000 0.998 244 I CA -1.036 60.240 61.300 -0.040 0.000 1.267 244 I CB 1.489 39.463 38.000 -0.044 0.000 1.386 244 I HN 0.137 nan 8.210 nan 0.000 0.476 245 V N 6.008 125.897 119.914 -0.041 0.000 2.347 245 V HA 0.496 4.631 4.120 0.025 0.000 0.280 245 V C -0.266 175.823 176.094 -0.010 0.000 1.021 245 V CA -0.699 61.586 62.300 -0.025 0.000 0.847 245 V CB 1.061 32.871 31.823 -0.022 0.000 0.990 245 V HN 0.495 nan 8.190 nan 0.000 0.444 246 L N 6.373 127.600 121.223 0.007 0.000 2.276 246 L HA 0.504 4.859 4.340 0.025 0.000 0.286 246 L C -1.690 175.237 176.870 0.096 0.000 1.061 246 L CA -1.506 53.367 54.840 0.054 0.000 0.807 246 L CB 1.252 43.337 42.059 0.043 0.000 1.177 246 L HN 0.475 nan 8.230 nan 0.000 0.429 247 P HA -0.030 nan 4.420 nan 0.000 0.273 247 P C -0.771 176.623 177.300 0.156 0.000 1.248 247 P CA -0.024 63.127 63.100 0.085 0.000 0.817 247 P CB 0.425 32.123 31.700 -0.004 0.000 0.995 248 E N -0.096 120.122 120.200 0.031 0.000 2.448 248 E HA 0.237 4.602 4.350 0.025 0.000 0.288 248 E C -1.368 175.191 176.600 -0.069 0.000 0.936 248 E CA -0.570 55.883 56.400 0.089 0.000 0.809 248 E CB 0.401 30.137 29.700 0.060 0.000 1.408 248 E HN 0.213 nan 8.360 nan 0.000 0.393 249 K N 2.723 123.036 120.400 -0.145 0.000 2.433 249 K HA 0.510 4.845 4.320 0.025 0.000 0.252 249 K C -0.512 176.023 176.600 -0.108 0.000 1.015 249 K CA -0.946 55.139 56.287 -0.337 0.000 0.860 249 K CB 1.232 33.214 32.500 -0.864 0.000 1.359 249 K HN 0.130 nan 8.250 nan 0.000 0.452 250 D N 0.170 120.497 120.400 -0.121 0.000 2.392 250 D HA 0.069 4.724 4.640 0.025 0.000 0.206 250 D C -0.429 175.881 176.300 0.018 0.000 1.046 250 D CA 0.543 54.546 54.000 0.005 0.000 0.865 250 D CB 0.627 41.420 40.800 -0.012 0.000 0.969 250 D HN 0.281 nan 8.370 nan 0.000 0.509 251 S N 0.493 116.119 115.700 -0.123 0.000 2.779 251 S HA 0.332 4.817 4.470 0.025 0.000 0.293 251 S C -1.278 173.213 174.600 -0.182 0.000 1.150 251 S CA -0.765 57.401 58.200 -0.058 0.000 1.057 251 S CB 0.949 64.114 63.200 -0.057 0.000 1.021 251 S HN 0.066 nan 8.310 nan 0.000 0.485 252 W N 2.556 123.850 121.300 -0.009 0.000 2.376 252 W HA 0.508 5.184 4.660 0.027 0.000 0.312 252 W C 0.906 177.420 176.519 -0.008 0.000 1.060 252 W CA -0.606 56.733 57.345 -0.010 0.000 1.221 252 W CB 1.013 30.466 29.460 -0.010 0.000 1.281 252 W HN 0.593 nan 8.180 nan 0.000 0.456 253 T N -1.559 113.103 114.554 0.181 0.000 2.897 253 T HA 0.308 4.673 4.350 0.025 0.000 0.278 253 T C 0.898 175.676 174.700 0.130 0.000 0.981 253 T CA -0.742 61.427 62.100 0.114 0.000 0.973 253 T CB 1.257 70.155 68.868 0.050 0.000 1.092 253 T HN 0.186 nan 8.240 nan 0.000 0.543 254 V N 1.760 121.723 119.914 0.083 0.000 2.287 254 V HA -0.216 3.919 4.120 0.025 0.000 0.248 254 V C 2.852 178.990 176.094 0.073 0.000 1.053 254 V CA 2.110 64.451 62.300 0.068 0.000 1.027 254 V CB -1.056 30.793 31.823 0.043 0.000 0.646 254 V HN 0.829 nan 8.190 nan 0.000 0.447 255 N N 0.306 119.042 118.700 0.060 0.000 2.061 255 N HA -0.198 4.558 4.740 0.025 0.000 0.193 255 N C 1.556 177.115 175.510 0.082 0.000 1.030 255 N CA 1.918 55.000 53.050 0.053 0.000 0.856 255 N CB -0.552 37.954 38.487 0.032 0.000 1.023 255 N HN 0.510 nan 8.380 nan 0.000 0.424 256 D N 0.896 121.365 120.400 0.115 0.000 2.106 256 D HA -0.120 4.535 4.640 0.025 0.000 0.191 256 D C 2.148 178.615 176.300 0.279 0.000 0.997 256 D CA 0.786 54.907 54.000 0.201 0.000 0.834 256 D CB -0.424 40.533 40.800 0.262 0.000 0.956 256 D HN 0.345 nan 8.370 nan 0.000 0.448 257 I N 0.657 121.368 120.570 0.235 0.000 2.315 257 I HA -0.250 3.935 4.170 0.025 0.000 0.248 257 I C 2.469 178.625 176.117 0.065 0.000 1.117 257 I CA 1.005 62.375 61.300 0.117 0.000 1.404 257 I CB -0.252 37.782 38.000 0.057 0.000 1.071 257 I HN -0.013 nan 8.210 nan 0.000 0.419 258 Q N 0.675 120.514 119.800 0.066 0.000 2.083 258 Q HA -0.138 4.217 4.340 0.025 0.000 0.198 258 Q C 2.243 178.274 176.000 0.051 0.000 0.969 258 Q CA 0.975 56.806 55.803 0.046 0.000 0.838 258 Q CB -0.026 28.735 28.738 0.039 0.000 0.900 258 Q HN 0.417 nan 8.270 nan 0.000 0.436 259 K N 0.730 121.168 120.400 0.064 0.000 2.032 259 K HA -0.182 4.153 4.320 0.025 0.000 0.209 259 K C 2.165 178.804 176.600 0.064 0.000 1.048 259 K CA 0.892 57.213 56.287 0.057 0.000 0.927 259 K CB -0.458 32.076 32.500 0.058 0.000 0.712 259 K HN 0.135 nan 8.250 nan 0.000 0.441 260 L N 1.425 122.705 121.223 0.095 0.000 1.970 260 L HA -0.164 4.191 4.340 0.025 0.000 0.212 260 L C 2.262 179.154 176.870 0.038 0.000 1.071 260 L CA 1.444 56.333 54.840 0.082 0.000 0.751 260 L CB -0.565 41.548 42.059 0.091 0.000 0.889 260 L HN -0.131 nan 8.230 nan 0.000 0.432 261 V N 0.365 120.293 119.914 0.023 0.000 2.453 261 V HA -0.273 3.862 4.120 0.025 0.000 0.252 261 V C 2.579 178.698 176.094 0.042 0.000 1.068 261 V CA 1.796 64.106 62.300 0.017 0.000 1.070 261 V CB -1.683 30.145 31.823 0.009 0.000 0.664 261 V HN 0.690 nan 8.190 nan 0.000 0.461 262 G N -0.634 108.196 108.800 0.050 0.000 2.433 262 G HA2 -0.296 3.679 3.960 0.025 0.000 0.216 262 G HA3 -0.296 3.679 3.960 0.025 0.000 0.216 262 G C 1.651 176.607 174.900 0.094 0.000 1.186 262 G CA 1.056 46.197 45.100 0.068 0.000 0.779 262 G HN 0.449 nan 8.290 nan 0.000 0.543 263 K N -0.524 119.915 120.400 0.065 0.000 2.032 263 K HA 0.001 4.336 4.320 0.025 0.000 0.209 263 K C 2.520 179.192 176.600 0.121 0.000 1.048 263 K CA 0.823 57.149 56.287 0.065 0.000 0.927 263 K CB -0.228 32.280 32.500 0.014 0.000 0.712 263 K HN 0.122 nan 8.250 nan 0.000 0.441 264 L N 1.538 122.808 121.223 0.079 0.000 2.012 264 L HA -0.231 4.124 4.340 0.025 0.000 0.210 264 L C 2.209 179.143 176.870 0.106 0.000 1.073 264 L CA 1.648 56.530 54.840 0.069 0.000 0.748 264 L CB -1.547 40.524 42.059 0.020 0.000 0.891 264 L HN 0.440 nan 8.230 nan 0.000 0.431 265 N N -0.626 118.136 118.700 0.104 0.000 2.149 265 N HA -0.263 4.492 4.740 0.025 0.000 0.188 265 N C 1.961 177.547 175.510 0.127 0.000 1.019 265 N CA 1.428 54.534 53.050 0.093 0.000 0.857 265 N CB -0.160 38.375 38.487 0.081 0.000 0.997 265 N HN 0.445 nan 8.380 nan 0.000 0.426 266 W N 1.552 122.860 121.300 0.012 0.000 2.374 266 W HA -0.023 4.653 4.660 0.027 0.000 0.288 266 W C 2.316 178.854 176.519 0.031 0.000 1.218 266 W CA 1.825 59.179 57.345 0.014 0.000 1.245 266 W CB -0.187 29.273 29.460 -0.001 0.000 1.126 266 W HN 0.114 nan 8.180 nan 0.000 0.545 267 A N -0.605 122.471 122.820 0.425 0.000 2.014 267 A HA -0.106 4.229 4.320 0.025 0.000 0.218 267 A C 1.929 179.640 177.584 0.211 0.000 1.163 267 A CA 1.636 53.911 52.037 0.397 0.000 0.652 267 A CB -0.978 18.198 19.000 0.293 0.000 0.808 267 A HN 0.212 nan 8.150 nan 0.000 0.449 268 S N 0.232 115.986 115.700 0.089 0.000 2.400 268 S HA -0.208 4.277 4.470 0.025 0.000 0.232 268 S C 2.031 176.601 174.600 -0.049 0.000 1.025 268 S CA 1.378 59.596 58.200 0.029 0.000 0.993 268 S CB -0.276 62.923 63.200 -0.000 0.000 0.808 268 S HN 0.606 nan 8.310 nan 0.000 0.478 269 Q N 0.911 120.623 119.800 -0.146 0.000 1.993 269 Q HA -0.001 4.354 4.340 0.025 0.000 0.202 269 Q C 2.291 178.156 176.000 -0.225 0.000 0.984 269 Q CA 1.343 56.990 55.803 -0.260 0.000 0.837 269 Q CB -0.484 27.992 28.738 -0.437 0.000 0.902 269 Q HN 0.564 nan 8.270 nan 0.000 0.423 270 I N -1.145 119.317 120.570 -0.180 0.000 2.400 270 I HA -0.141 4.044 4.170 0.025 0.000 0.248 270 I C 0.318 176.306 176.117 -0.215 0.000 1.109 270 I CA 0.396 61.588 61.300 -0.180 0.000 1.425 270 I CB -0.015 37.877 38.000 -0.179 0.000 1.094 270 I HN 0.017 nan 8.210 nan 0.000 0.425 271 Y N 2.695 122.986 120.300 -0.016 0.000 2.323 271 Y HA 0.323 4.888 4.550 0.024 0.000 0.331 271 Y C -2.166 173.713 175.900 -0.034 0.000 1.092 271 Y CA -2.765 55.332 58.100 -0.005 0.000 1.150 271 Y CB 0.419 38.893 38.460 0.023 0.000 1.200 271 Y HN -0.071 nan 8.280 nan 0.000 0.472 272 P HA 0.300 nan 4.420 nan 0.000 0.294 272 P C 0.399 177.727 177.300 0.047 0.000 1.294 272 P CA -0.080 63.041 63.100 0.034 0.000 0.827 272 P CB 1.897 33.594 31.700 -0.005 0.000 0.992 273 G N 2.809 111.620 108.800 0.018 0.000 2.194 273 G HA2 -0.181 3.794 3.960 0.025 0.000 0.236 273 G HA3 -0.181 3.794 3.960 0.025 0.000 0.236 273 G C 0.214 175.117 174.900 0.004 0.000 0.987 273 G CA -0.471 44.634 45.100 0.008 0.000 0.635 273 G HN 0.461 nan 8.290 nan 0.000 0.520 274 I N 1.367 121.947 120.570 0.017 0.000 2.648 274 I HA 0.307 4.492 4.170 0.025 0.000 0.284 274 I C 0.677 176.789 176.117 -0.009 0.000 1.153 274 I CA 0.830 62.130 61.300 0.001 0.000 1.426 274 I CB 0.713 38.724 38.000 0.019 0.000 1.381 274 I HN 0.163 nan 8.210 nan 0.000 0.571 275 K N 4.500 124.888 120.400 -0.021 0.000 2.469 275 K HA 0.498 4.833 4.320 0.025 0.000 0.254 275 K C 0.079 176.660 176.600 -0.033 0.000 0.939 275 K CA -0.564 55.708 56.287 -0.025 0.000 0.812 275 K CB 2.895 35.378 32.500 -0.029 0.000 1.301 275 K HN 0.391 nan 8.250 nan 0.000 0.433 276 V N -1.689 118.207 119.914 -0.030 0.000 3.398 276 V HA 0.166 4.301 4.120 0.025 0.000 0.298 276 V C 1.723 177.794 176.094 -0.039 0.000 1.496 276 V CA -0.094 62.183 62.300 -0.037 0.000 1.044 276 V CB 0.246 32.056 31.823 -0.023 0.000 0.880 276 V HN 0.799 nan 8.190 nan 0.000 0.443 277 R N 0.806 121.286 120.500 -0.034 0.000 2.136 277 R HA -0.242 4.113 4.340 0.025 0.000 0.242 277 R C 2.252 178.528 176.300 -0.041 0.000 1.131 277 R CA 2.809 58.889 56.100 -0.033 0.000 0.937 277 R CB -0.205 30.076 30.300 -0.031 0.000 0.863 277 R HN 0.582 nan 8.270 nan 0.000 0.435 278 Q N -0.053 119.717 119.800 -0.050 0.000 2.172 278 Q HA -0.027 4.328 4.340 0.025 0.000 0.200 278 Q C 0.996 176.950 176.000 -0.076 0.000 0.964 278 Q CA 0.497 56.265 55.803 -0.059 0.000 0.855 278 Q CB -0.100 28.600 28.738 -0.062 0.000 0.918 278 Q HN 0.230 nan 8.270 nan 0.000 0.444 282 L N 1.830 123.030 121.223 -0.038 0.000 2.353 282 L HA -0.016 4.340 4.340 0.025 0.000 0.220 282 L C 1.736 178.599 176.870 -0.013 0.000 1.133 282 L CA 1.562 56.383 54.840 -0.031 0.000 0.798 282 L CB -0.431 41.596 42.059 -0.053 0.000 0.922 282 L HN 0.186 nan 8.230 nan 0.000 0.445 283 L N -1.132 120.085 121.223 -0.011 0.000 2.591 283 L HA 0.029 4.384 4.340 0.025 0.000 0.228 283 L C 0.850 177.721 176.870 0.001 0.000 1.133 283 L CA -0.129 54.711 54.840 -0.000 0.000 0.880 283 L CB -0.283 41.776 42.059 0.000 0.000 1.033 283 L HN 0.118 nan 8.230 nan 0.000 0.450 284 R N 0.660 121.158 120.500 -0.003 0.000 2.489 284 R HA 0.212 4.567 4.340 0.025 0.000 0.287 284 R C 1.181 177.482 176.300 0.001 0.000 1.053 284 R CA 0.561 56.660 56.100 -0.002 0.000 1.036 284 R CB 0.123 30.420 30.300 -0.005 0.000 0.966 284 R HN 0.239 nan 8.270 nan 0.000 0.432 285 G N 2.418 111.219 108.800 0.002 0.000 2.233 285 G HA2 -0.337 3.638 3.960 0.025 0.000 0.270 285 G HA3 -0.337 3.638 3.960 0.025 0.000 0.270 285 G C 0.270 175.173 174.900 0.006 0.000 1.011 285 G CA 0.761 45.863 45.100 0.004 0.000 0.762 285 G HN 0.732 nan 8.290 nan 0.000 0.511 286 T N -1.333 113.225 114.554 0.008 0.000 2.888 286 T HA 0.448 4.813 4.350 0.025 0.000 0.301 286 T C 1.417 176.124 174.700 0.011 0.000 1.001 286 T CA 0.386 62.492 62.100 0.011 0.000 1.147 286 T CB 1.574 70.451 68.868 0.015 0.000 0.931 286 T HN 0.700 nan 8.240 nan 0.000 0.541 287 K N 1.227 121.634 120.400 0.012 0.000 2.400 287 K HA 0.495 4.830 4.320 0.025 0.000 0.194 287 K C 0.505 177.111 176.600 0.011 0.000 1.033 287 K CA -0.114 56.179 56.287 0.011 0.000 1.021 287 K CB 0.415 32.920 32.500 0.009 0.000 0.808 287 K HN 0.717 nan 8.250 nan 0.000 0.505 288 A N 0.546 123.374 122.820 0.014 0.000 2.605 288 A HA 0.358 4.693 4.320 0.025 0.000 0.294 288 A C 0.222 177.816 177.584 0.017 0.000 1.062 288 A CA -0.824 51.221 52.037 0.014 0.000 0.682 288 A CB 0.548 19.555 19.000 0.012 0.000 1.278 288 A HN 0.098 nan 8.150 nan 0.000 0.410 289 L N 0.541 121.774 121.223 0.016 0.000 2.042 289 L HA -0.157 4.198 4.340 0.025 0.000 0.210 289 L C 2.717 179.601 176.870 0.022 0.000 1.076 289 L CA 2.236 57.088 54.840 0.020 0.000 0.749 289 L CB -0.460 41.608 42.059 0.016 0.000 0.893 289 L HN 0.989 nan 8.230 nan 0.000 0.432 290 T N -3.541 111.023 114.554 0.016 0.000 3.118 290 T HA -0.077 4.288 4.350 0.025 0.000 0.260 290 T C 0.761 175.473 174.700 0.019 0.000 1.139 290 T CA -0.160 61.948 62.100 0.014 0.000 1.085 290 T CB -0.304 68.568 68.868 0.006 0.000 0.934 290 T HN 0.280 nan 8.240 nan 0.000 0.518 291 E N 1.456 121.670 120.200 0.023 0.000 2.452 291 E HA 0.146 4.511 4.350 0.025 0.000 0.261 291 E C -0.837 175.786 176.600 0.040 0.000 0.987 291 E CA -0.265 56.151 56.400 0.027 0.000 0.926 291 E CB 0.580 30.294 29.700 0.025 0.000 0.934 291 E HN 0.194 nan 8.360 nan 0.000 0.452 292 V N 6.403 126.341 119.914 0.040 0.000 2.348 292 V HA 0.221 4.357 4.120 0.025 0.000 0.270 292 V C 0.074 176.206 176.094 0.063 0.000 1.037 292 V CA -0.641 61.694 62.300 0.058 0.000 0.872 292 V CB 0.576 32.426 31.823 0.045 0.000 1.002 292 V HN 0.467 nan 8.190 nan 0.000 0.464 293 I N 7.331 127.952 120.570 0.085 0.000 2.377 293 I HA 0.483 4.668 4.170 0.025 0.000 0.293 293 I C -2.159 174.007 176.117 0.081 0.000 0.987 293 I CA -2.652 58.685 61.300 0.063 0.000 1.185 293 I CB 1.786 39.812 38.000 0.045 0.000 1.341 293 I HN 0.415 nan 8.210 nan 0.000 0.455 294 P HA 0.345 nan 4.420 nan 0.000 0.285 294 P C -0.667 176.638 177.300 0.008 0.000 1.259 294 P CA -0.551 62.583 63.100 0.058 0.000 0.794 294 P CB 1.259 32.985 31.700 0.043 0.000 0.940 295 L N 2.656 123.867 121.223 -0.020 0.000 2.455 295 L HA 0.159 4.514 4.340 0.025 0.000 0.272 295 L C 1.687 178.523 176.870 -0.057 0.000 1.174 295 L CA -0.283 54.500 54.840 -0.095 0.000 0.869 295 L CB -0.135 41.813 42.059 -0.184 0.000 1.130 295 L HN 0.477 nan 8.230 nan 0.000 0.474 296 T N -1.590 112.927 114.554 -0.062 0.000 2.667 296 T HA -0.002 4.363 4.350 0.025 0.000 0.305 296 T C 0.974 175.646 174.700 -0.046 0.000 1.022 296 T CA -0.365 61.709 62.100 -0.043 0.000 0.995 296 T CB 1.206 70.049 68.868 -0.043 0.000 1.026 296 T HN 0.741 nan 8.240 nan 0.000 0.527 297 E N 0.388 120.568 120.200 -0.034 0.000 2.017 297 E HA -0.198 4.167 4.350 0.025 0.000 0.193 297 E C 2.009 178.584 176.600 -0.042 0.000 0.997 297 E CA 1.474 57.855 56.400 -0.031 0.000 0.804 297 E CB -0.174 29.513 29.700 -0.022 0.000 0.757 297 E HN 0.781 nan 8.360 nan 0.000 0.448 298 E N 0.401 120.576 120.200 -0.042 0.000 2.160 298 E HA -0.189 4.176 4.350 0.025 0.000 0.195 298 E C 1.720 178.281 176.600 -0.065 0.000 0.991 298 E CA 1.281 57.653 56.400 -0.047 0.000 0.810 298 E CB -0.234 29.442 29.700 -0.041 0.000 0.742 298 E HN 0.363 nan 8.360 nan 0.000 0.466 299 A N 0.530 123.301 122.820 -0.082 0.000 2.016 299 A HA -0.114 4.221 4.320 0.025 0.000 0.217 299 A C 2.063 179.562 177.584 -0.142 0.000 1.162 299 A CA 1.251 53.216 52.037 -0.120 0.000 0.662 299 A CB -0.214 18.701 19.000 -0.142 0.000 0.812 299 A HN 0.124 nan 8.150 nan 0.000 0.450 300 E N -0.043 120.092 120.200 -0.109 0.000 2.107 300 E HA -0.096 4.269 4.350 0.025 0.000 0.191 300 E C 1.839 178.395 176.600 -0.073 0.000 0.982 300 E CA 1.046 57.390 56.400 -0.094 0.000 0.809 300 E CB -0.286 29.381 29.700 -0.053 0.000 0.756 300 E HN 0.582 nan 8.360 nan 0.000 0.459 301 L N 0.376 121.563 121.223 -0.061 0.000 1.973 301 L HA -0.134 4.221 4.340 0.025 0.000 0.208 301 L C 2.435 179.272 176.870 -0.056 0.000 1.073 301 L CA 1.987 56.798 54.840 -0.048 0.000 0.746 301 L CB -0.459 41.577 42.059 -0.040 0.000 0.891 301 L HN 0.199 nan 8.230 nan 0.000 0.433 302 E N -0.201 119.960 120.200 -0.065 0.000 2.065 302 E HA -0.346 4.019 4.350 0.025 0.000 0.201 302 E C 2.228 178.781 176.600 -0.078 0.000 1.016 302 E CA 2.192 58.552 56.400 -0.067 0.000 0.818 302 E CB -0.360 29.295 29.700 -0.075 0.000 0.749 302 E HN 0.454 nan 8.360 nan 0.000 0.453 303 L N 0.806 121.965 121.223 -0.107 0.000 2.051 303 L HA -0.222 4.133 4.340 0.025 0.000 0.214 303 L C 2.249 179.074 176.870 -0.075 0.000 1.076 303 L CA 2.453 57.220 54.840 -0.120 0.000 0.758 303 L CB -0.784 41.166 42.059 -0.182 0.000 0.890 303 L HN 0.252 nan 8.230 nan 0.000 0.433 304 A N -0.838 121.947 122.820 -0.059 0.000 1.877 304 A HA -0.223 4.112 4.320 0.025 0.000 0.216 304 A C 2.154 179.717 177.584 -0.036 0.000 1.186 304 A CA 1.785 53.800 52.037 -0.037 0.000 0.620 304 A CB -0.672 18.311 19.000 -0.029 0.000 0.822 304 A HN 0.618 nan 8.150 nan 0.000 0.443 305 E N -0.006 120.171 120.200 -0.039 0.000 2.110 305 E HA -0.173 4.192 4.350 0.025 0.000 0.193 305 E C 1.789 178.362 176.600 -0.044 0.000 0.988 305 E CA 1.036 57.415 56.400 -0.035 0.000 0.804 305 E CB -0.208 29.473 29.700 -0.032 0.000 0.745 305 E HN 0.524 nan 8.360 nan 0.000 0.458 306 N N 0.974 119.641 118.700 -0.055 0.000 2.104 306 N HA -0.153 4.602 4.740 0.025 0.000 0.190 306 N C 1.659 177.116 175.510 -0.089 0.000 1.024 306 N CA 0.935 53.941 53.050 -0.073 0.000 0.853 306 N CB -0.245 38.198 38.487 -0.074 0.000 1.008 306 N HN 0.111 nan 8.380 nan 0.000 0.424 307 R N 0.742 121.203 120.500 -0.066 0.000 2.105 307 R HA -0.094 4.261 4.340 0.025 0.000 0.239 307 R C 1.731 177.995 176.300 -0.059 0.000 1.135 307 R CA 1.002 57.067 56.100 -0.058 0.000 0.967 307 R CB 0.047 30.330 30.300 -0.028 0.000 0.861 307 R HN 0.248 nan 8.270 nan 0.000 0.442 308 E N 0.637 120.809 120.200 -0.046 0.000 2.017 308 E HA -0.173 4.192 4.350 0.025 0.000 0.193 308 E C 2.050 178.629 176.600 -0.036 0.000 0.997 308 E CA 1.135 57.516 56.400 -0.031 0.000 0.804 308 E CB -0.319 29.369 29.700 -0.020 0.000 0.757 308 E HN 0.328 nan 8.360 nan 0.000 0.448 309 I N 1.158 121.698 120.570 -0.049 0.000 2.185 309 I HA -0.311 3.874 4.170 0.025 0.000 0.246 309 I C 2.338 178.378 176.117 -0.129 0.000 1.088 309 I CA 1.090 62.366 61.300 -0.041 0.000 1.347 309 I CB -0.316 37.656 38.000 -0.047 0.000 1.041 309 I HN 0.073 nan 8.210 nan 0.000 0.415 310 L N 0.153 121.200 121.223 -0.294 0.000 2.456 310 L HA -0.146 4.209 4.340 0.025 0.000 0.224 310 L C 2.368 179.157 176.870 -0.135 0.000 1.148 310 L CA 0.894 55.455 54.840 -0.465 0.000 0.825 310 L CB -0.566 41.256 42.059 -0.396 0.000 0.937 310 L HN 0.260 nan 8.230 nan 0.000 0.450 311 K N 0.405 120.778 120.400 -0.045 0.000 2.062 311 K HA -0.115 4.220 4.320 0.025 0.000 0.205 311 K C 0.998 177.642 176.600 0.073 0.000 1.051 311 K CA 0.334 56.629 56.287 0.013 0.000 0.941 311 K CB -0.035 32.470 32.500 0.007 0.000 0.719 311 K HN 0.266 nan 8.250 nan 0.000 0.440 312 E N 3.026 123.291 120.200 0.107 0.000 2.502 312 E HA -0.036 4.330 4.350 0.025 0.000 0.261 312 E C -2.331 174.409 176.600 0.233 0.000 0.974 312 E CA -1.311 55.182 56.400 0.154 0.000 0.936 312 E CB 0.483 30.286 29.700 0.172 0.000 0.926 312 E HN -0.025 nan 8.360 nan 0.000 0.459 313 P HA 0.109 nan 4.420 nan 0.000 0.287 313 P C -0.840 176.552 177.300 0.153 0.000 1.281 313 P CA -0.394 62.801 63.100 0.158 0.000 0.781 313 P CB 1.200 32.952 31.700 0.087 0.000 0.903 314 V N 5.927 125.920 119.914 0.133 0.000 2.277 314 V HA 0.135 4.270 4.120 0.025 0.000 0.269 314 V C 0.835 177.000 176.094 0.119 0.000 1.036 314 V CA -0.506 61.820 62.300 0.043 0.000 0.821 314 V CB -0.315 31.355 31.823 -0.255 0.000 1.052 314 V HN 0.691 nan 8.190 nan 0.000 0.462 315 H N 3.039 122.050 119.070 -0.099 0.000 2.508 315 H HA 0.813 5.384 4.556 0.025 0.000 0.358 315 H C 0.052 174.999 175.328 -0.636 0.000 1.212 315 H CA -0.570 55.333 56.048 -0.243 0.000 1.356 315 H CB 1.969 31.609 29.762 -0.203 0.000 1.525 315 H HN 0.555 nan 8.280 nan 0.000 0.578 316 G N -0.341 107.628 108.800 -1.385 0.000 2.733 316 G HA2 0.498 4.473 3.960 0.025 0.000 0.288 316 G HA3 0.498 4.473 3.960 0.025 0.000 0.288 316 G C -1.463 172.443 174.900 -1.657 0.000 1.373 316 G CA -0.582 43.039 45.100 -2.465 0.000 0.895 316 G HN 0.621 nan 8.290 nan 0.000 0.479 317 V N -0.621 118.673 119.914 -1.035 0.000 3.040 317 V HA 0.644 4.779 4.120 0.025 0.000 0.312 317 V C -1.086 174.970 176.094 -0.064 0.000 1.115 317 V CA -0.802 61.211 62.300 -0.478 0.000 0.998 317 V CB 2.052 33.766 31.823 -0.182 0.000 1.042 317 V HN 0.638 nan 8.190 nan 0.000 0.433 318 Y N 1.310 121.735 120.300 0.209 0.000 2.340 318 Y HA 0.363 4.928 4.550 0.026 0.000 0.327 318 Y C -0.090 176.012 175.900 0.337 0.000 1.321 318 Y CA -0.553 57.746 58.100 0.333 0.000 1.433 318 Y CB 0.450 39.057 38.460 0.246 0.000 1.373 318 Y HN 0.604 nan 8.280 nan 0.000 0.538 319 Y N 1.471 122.027 120.300 0.426 0.000 2.336 319 Y HA 0.200 4.765 4.550 0.025 0.000 0.335 319 Y C -0.499 175.498 175.900 0.163 0.000 1.046 319 Y CA -0.719 57.548 58.100 0.279 0.000 1.198 319 Y CB 0.541 39.232 38.460 0.384 0.000 1.182 319 Y HN 0.510 nan 8.280 nan 0.000 0.502 320 D N 9.196 129.463 120.400 -0.221 0.000 2.454 320 D HA 0.222 4.877 4.640 0.025 0.000 0.225 320 D C -2.039 173.868 176.300 -0.656 0.000 1.081 320 D CA -2.658 51.133 54.000 -0.348 0.000 0.864 320 D CB 1.628 42.355 40.800 -0.122 0.000 1.040 320 D HN 0.371 nan 8.370 nan 0.000 0.517 321 P HA -0.043 nan 4.420 nan 0.000 0.244 321 P C 0.529 177.688 177.300 -0.235 0.000 1.211 321 P CA 0.369 63.127 63.100 -0.570 0.000 0.760 321 P CB 0.059 31.528 31.700 -0.385 0.000 0.961 322 S N -2.565 113.020 115.700 -0.192 0.000 2.539 322 S HA 0.242 4.727 4.470 0.025 0.000 0.221 322 S C 0.655 175.202 174.600 -0.089 0.000 0.987 322 S CA -0.353 57.782 58.200 -0.107 0.000 0.929 322 S CB 0.043 63.192 63.200 -0.084 0.000 0.832 322 S HN 0.025 nan 8.310 nan 0.000 0.492 323 K N 1.204 121.540 120.400 -0.107 0.000 2.295 323 K HA 0.424 4.759 4.320 0.025 0.000 0.239 323 K C -1.105 175.450 176.600 -0.075 0.000 0.991 323 K CA -0.905 55.335 56.287 -0.078 0.000 0.845 323 K CB 0.816 33.276 32.500 -0.066 0.000 1.197 323 K HN 0.068 nan 8.250 nan 0.000 0.441 324 D N 1.328 121.677 120.400 -0.085 0.000 2.378 324 D HA 0.066 4.721 4.640 0.025 0.000 0.238 324 D C -0.461 175.728 176.300 -0.184 0.000 1.180 324 D CA 0.368 54.295 54.000 -0.122 0.000 0.895 324 D CB 0.668 41.389 40.800 -0.131 0.000 1.192 324 D HN 0.168 nan 8.370 nan 0.000 0.438 325 L N 2.783 123.850 121.223 -0.259 0.000 2.319 325 L HA 0.432 4.787 4.340 0.025 0.000 0.281 325 L C -0.590 175.989 176.870 -0.485 0.000 1.005 325 L CA -0.526 54.060 54.840 -0.424 0.000 0.828 325 L CB 0.871 42.641 42.059 -0.482 0.000 1.227 325 L HN 0.194 nan 8.230 nan 0.000 0.415 326 I N 3.412 123.605 120.570 -0.628 0.000 2.509 326 I HA 0.587 4.772 4.170 0.025 0.000 0.293 326 I C -0.167 175.527 176.117 -0.706 0.000 1.020 326 I CA -0.517 60.360 61.300 -0.705 0.000 1.088 326 I CB 2.186 39.662 38.000 -0.873 0.000 1.267 326 I HN 0.568 nan 8.210 nan 0.000 0.430 327 A N 5.177 127.648 122.820 -0.581 0.000 2.319 327 A HA 0.638 4.973 4.320 0.025 0.000 0.310 327 A C -0.809 176.710 177.584 -0.108 0.000 1.152 327 A CA -0.465 51.342 52.037 -0.384 0.000 0.783 327 A CB 1.206 19.807 19.000 -0.665 0.000 1.184 327 A HN 0.762 nan 8.150 nan 0.000 0.474 328 E N 2.483 122.750 120.200 0.112 0.000 2.199 328 E HA 0.684 5.049 4.350 0.025 0.000 0.269 328 E C -1.276 175.466 176.600 0.236 0.000 0.899 328 E CA -0.490 56.029 56.400 0.199 0.000 0.772 328 E CB 1.255 31.111 29.700 0.261 0.000 1.155 328 E HN 0.654 nan 8.360 nan 0.000 0.408 329 I N 2.676 123.381 120.570 0.224 0.000 2.646 329 I HA 0.337 4.522 4.170 0.025 0.000 0.299 329 I C -0.763 175.504 176.117 0.250 0.000 1.036 329 I CA -0.972 60.480 61.300 0.254 0.000 1.074 329 I CB 2.046 40.173 38.000 0.212 0.000 1.258 329 I HN 0.435 nan 8.210 nan 0.000 0.430 330 Q N 3.592 123.564 119.800 0.288 0.000 2.372 330 Q HA 0.420 4.775 4.340 0.025 0.000 0.273 330 Q C -0.955 175.189 176.000 0.240 0.000 1.078 330 Q CA -0.823 55.110 55.803 0.217 0.000 0.806 330 Q CB 2.751 31.553 28.738 0.107 0.000 1.332 330 Q HN 0.343 nan 8.270 nan 0.000 0.435 331 K N 1.690 122.107 120.400 0.029 0.000 2.264 331 K HA 0.167 4.503 4.320 0.025 0.000 0.277 331 K C 0.128 176.562 176.600 -0.276 0.000 1.067 331 K CA 0.032 56.038 56.287 -0.469 0.000 0.900 331 K CB 0.786 32.865 32.500 -0.702 0.000 1.124 331 K HN 0.712 nan 8.250 nan 0.000 0.469 332 Q N 2.188 121.830 119.800 -0.263 0.000 2.389 332 Q HA 0.094 4.449 4.340 0.025 0.000 0.204 332 Q C 0.143 176.048 176.000 -0.159 0.000 0.944 332 Q CA 0.501 56.213 55.803 -0.151 0.000 0.908 332 Q CB 0.491 29.168 28.738 -0.100 0.000 1.002 332 Q HN 0.881 nan 8.270 nan 0.000 0.493 333 G N -0.468 108.187 108.800 -0.241 0.000 2.441 333 G HA2 0.029 4.004 3.960 0.025 0.000 0.294 333 G HA3 0.029 4.004 3.960 0.025 0.000 0.294 333 G C -1.859 172.889 174.900 -0.252 0.000 1.393 333 G CA -0.909 44.082 45.100 -0.182 0.000 0.796 333 G HN 0.102 nan 8.290 nan 0.000 0.494 334 Q N -0.142 119.554 119.800 -0.174 0.000 2.263 334 Q HA 0.370 4.725 4.340 0.025 0.000 0.289 334 Q C 1.518 177.418 176.000 -0.166 0.000 1.061 334 Q CA 1.845 57.548 55.803 -0.167 0.000 0.927 334 Q CB 0.129 28.790 28.738 -0.128 0.000 1.154 334 Q HN 2.136 nan 8.270 nan 0.000 0.378 335 G N 3.147 111.846 108.800 -0.168 0.000 2.284 335 G HA2 -0.331 3.644 3.960 0.025 0.000 0.261 335 G HA3 -0.331 3.644 3.960 0.025 0.000 0.261 335 G C -0.077 174.737 174.900 -0.143 0.000 0.997 335 G CA 0.500 45.574 45.100 -0.043 0.000 0.621 335 G HN 0.632 nan 8.290 nan 0.000 0.534 336 Q N -0.698 118.884 119.800 -0.364 0.000 2.257 336 Q HA 0.558 4.913 4.340 0.025 0.000 0.255 336 Q C -0.962 174.701 176.000 -0.562 0.000 0.920 336 Q CA -0.517 55.116 55.803 -0.283 0.000 0.927 336 Q CB 0.927 29.568 28.738 -0.163 0.000 1.229 336 Q HN 0.439 nan 8.270 nan 0.000 0.433 337 W N 1.197 122.555 121.300 0.097 0.000 2.839 337 W HA 0.392 5.068 4.660 0.027 0.000 0.334 337 W C -0.272 176.286 176.519 0.066 0.000 1.064 337 W CA -0.680 56.730 57.345 0.108 0.000 1.236 337 W CB 1.834 31.407 29.460 0.187 0.000 1.405 337 W HN 0.472 nan 8.180 nan 0.000 0.478 338 T N 0.059 114.766 114.554 0.255 0.000 2.912 338 T HA 0.819 5.184 4.350 0.025 0.000 0.288 338 T C -1.168 173.645 174.700 0.188 0.000 1.030 338 T CA -0.656 61.497 62.100 0.088 0.000 1.020 338 T CB 1.753 70.619 68.868 -0.003 0.000 1.056 338 T HN 0.487 nan 8.240 nan 0.000 0.480 339 Y N -0.237 120.070 120.300 0.011 0.000 2.581 339 Y HA 0.701 5.265 4.550 0.023 0.000 0.337 339 Y C -1.452 174.466 175.900 0.030 0.000 1.108 339 Y CA -1.285 56.839 58.100 0.041 0.000 1.033 339 Y CB 1.664 40.148 38.460 0.040 0.000 1.318 339 Y HN 0.832 nan 8.280 nan 0.000 0.459 340 Q N 3.751 123.697 119.800 0.243 0.000 2.289 340 Q HA 0.596 4.951 4.340 0.025 0.000 0.270 340 Q C -1.757 174.431 176.000 0.314 0.000 1.038 340 Q CA -0.758 55.164 55.803 0.199 0.000 0.812 340 Q CB 2.938 31.752 28.738 0.126 0.000 1.300 340 Q HN 0.922 nan 8.270 nan 0.000 0.427 341 I N 3.589 124.324 120.570 0.275 0.000 2.378 341 I HA 0.564 4.749 4.170 0.025 0.000 0.291 341 I C -0.798 175.385 176.117 0.110 0.000 0.992 341 I CA -1.000 60.351 61.300 0.085 0.000 1.154 341 I CB 0.902 38.941 38.000 0.065 0.000 1.315 341 I HN 0.716 nan 8.210 nan 0.000 0.448 342 Y N 3.025 123.281 120.300 -0.074 0.000 2.728 342 Y HA 0.538 5.102 4.550 0.024 0.000 0.330 342 Y C -0.118 175.722 175.900 -0.100 0.000 1.234 342 Y CA -0.867 57.202 58.100 -0.051 0.000 1.070 342 Y CB 1.119 39.580 38.460 0.001 0.000 1.300 342 Y HN 0.424 nan 8.280 nan 0.000 0.467 343 Q N -0.199 119.658 119.800 0.094 0.000 2.532 343 Q HA 0.273 4.628 4.340 0.025 0.000 0.247 343 Q C -0.780 175.297 176.000 0.129 0.000 0.872 343 Q CA 0.145 55.942 55.803 -0.011 0.000 0.963 343 Q CB 1.187 29.922 28.738 -0.005 0.000 1.159 343 Q HN 0.706 nan 8.270 nan 0.000 0.598 344 E N 1.979 122.298 120.200 0.197 0.000 2.158 344 E HA 0.292 4.657 4.350 0.025 0.000 0.271 344 E C -2.621 174.023 176.600 0.074 0.000 0.911 344 E CA -2.342 54.122 56.400 0.106 0.000 0.767 344 E CB 1.631 31.343 29.700 0.020 0.000 1.120 344 E HN -0.106 nan 8.360 nan 0.000 0.405 345 P HA -0.162 nan 4.420 nan 0.000 0.252 345 P C -0.562 176.482 177.300 -0.426 0.000 1.147 345 P CA 1.274 64.102 63.100 -0.454 0.000 0.779 345 P CB -0.279 31.032 31.700 -0.648 0.000 0.733 346 F N 0.226 119.927 119.950 -0.416 0.000 2.628 346 F HA -0.244 4.298 4.527 0.025 0.000 0.319 346 F C 0.481 176.171 175.800 -0.182 0.000 0.645 346 F CA 0.082 57.918 58.000 -0.272 0.000 1.499 346 F CB -1.381 37.517 39.000 -0.170 0.000 1.900 346 F HN 0.333 nan 8.300 nan 0.000 0.308 347 K N 1.825 122.239 120.400 0.022 0.000 2.562 347 K HA 0.276 4.611 4.320 0.025 0.000 0.206 347 K C -0.169 176.452 176.600 0.035 0.000 1.033 347 K CA -0.506 55.773 56.287 -0.013 0.000 1.029 347 K CB 0.687 33.188 32.500 0.001 0.000 1.393 347 K HN 0.008 nan 8.250 nan 0.000 0.539 348 N N 1.990 120.691 118.700 0.002 0.000 2.482 348 N HA 0.096 4.851 4.740 0.025 0.000 0.260 348 N C 0.886 176.496 175.510 0.166 0.000 1.236 348 N CA 0.062 53.186 53.050 0.122 0.000 0.938 348 N CB 1.172 39.716 38.487 0.094 0.000 1.128 348 N HN 0.342 nan 8.380 nan 0.000 0.448 349 L N -0.040 121.356 121.223 0.289 0.000 2.388 349 L HA 0.218 4.573 4.340 0.025 0.000 0.209 349 L C 0.857 178.060 176.870 0.554 0.000 1.061 349 L CA 0.604 55.713 54.840 0.449 0.000 0.834 349 L CB 0.179 42.483 42.059 0.409 0.000 1.029 349 L HN 0.503 nan 8.230 nan 0.000 0.473 350 K N -0.196 120.436 120.400 0.386 0.000 2.562 350 K HA 0.378 4.713 4.320 0.025 0.000 0.267 350 K C -1.391 175.304 176.600 0.159 0.000 0.938 350 K CA -0.411 56.042 56.287 0.277 0.000 0.840 350 K CB 2.186 34.796 32.500 0.184 0.000 1.390 350 K HN -0.022 nan 8.250 nan 0.000 0.428 351 T N -0.895 113.658 114.554 -0.001 0.000 2.883 351 T HA 0.916 5.281 4.350 0.025 0.000 0.296 351 T C -0.095 174.278 174.700 -0.544 0.000 1.117 351 T CA -0.518 61.426 62.100 -0.260 0.000 1.006 351 T CB 2.004 70.763 68.868 -0.182 0.000 1.191 351 T HN 0.799 nan 8.240 nan 0.000 0.508 352 G N 0.199 108.380 108.800 -1.031 0.000 2.441 352 G HA2 0.645 4.620 3.960 0.025 0.000 0.294 352 G HA3 0.645 4.620 3.960 0.025 0.000 0.294 352 G C -2.126 172.248 174.900 -0.877 0.000 1.393 352 G CA -0.887 43.640 45.100 -0.955 0.000 0.796 352 G HN 1.037 nan 8.290 nan 0.000 0.494 353 K N -1.419 118.664 120.400 -0.528 0.000 2.556 353 K HA 0.706 5.041 4.320 0.025 0.000 0.274 353 K C -2.116 174.321 176.600 -0.273 0.000 0.966 353 K CA -1.085 55.021 56.287 -0.301 0.000 0.865 353 K CB 2.042 34.456 32.500 -0.143 0.000 1.444 353 K HN 0.402 nan 8.250 nan 0.000 0.433 354 Y N 0.839 121.251 120.300 0.187 0.000 2.328 354 Y HA 0.467 5.032 4.550 0.024 0.000 0.336 354 Y C 0.207 176.187 175.900 0.133 0.000 0.960 354 Y CA -0.831 57.370 58.100 0.168 0.000 1.134 354 Y CB 1.913 40.500 38.460 0.212 0.000 1.166 354 Y HN 0.889 nan 8.280 nan 0.000 0.464 355 A N 3.660 126.625 122.820 0.240 0.000 2.609 355 A HA -0.038 4.297 4.320 0.025 0.000 0.232 355 A C 0.791 178.462 177.584 0.144 0.000 1.041 355 A CA -0.219 51.903 52.037 0.142 0.000 0.753 355 A CB -0.116 18.949 19.000 0.109 0.000 0.966 355 A HN 0.897 nan 8.150 nan 0.000 0.510 356 R N 2.565 123.116 120.500 0.085 0.000 2.614 356 R HA 0.029 4.384 4.340 0.025 0.000 0.335 356 R C -0.224 176.128 176.300 0.086 0.000 0.859 356 R CA 0.631 56.769 56.100 0.064 0.000 1.123 356 R CB -0.470 29.842 30.300 0.019 0.000 0.887 356 R HN 0.640 nan 8.270 nan 0.000 0.407 357 M N 6.161 125.838 119.600 0.127 0.000 2.227 357 M HA 0.136 4.631 4.480 0.025 0.000 0.349 357 M C -0.011 176.336 176.300 0.078 0.000 1.443 357 M CA 0.340 55.709 55.300 0.114 0.000 1.110 357 M CB 0.764 33.461 32.600 0.162 0.000 1.773 357 M HN 0.552 nan 8.290 nan 0.000 0.463 358 R N 2.102 122.633 120.500 0.052 0.000 2.575 358 R HA 0.916 5.271 4.340 0.025 0.000 0.293 358 R C -0.617 175.697 176.300 0.024 0.000 0.983 358 R CA -0.734 55.387 56.100 0.034 0.000 0.887 358 R CB 1.459 31.772 30.300 0.022 0.000 1.184 358 R HN 0.697 nan 8.270 nan 0.000 0.445 359 G N 0.140 108.950 108.800 0.016 0.000 3.058 359 G HA2 0.521 4.496 3.960 0.025 0.000 0.282 359 G HA3 0.521 4.496 3.960 0.025 0.000 0.282 359 G C -0.294 174.577 174.900 -0.049 0.000 1.248 359 G CA -0.516 44.575 45.100 -0.015 0.000 0.822 359 G HN 0.618 nan 8.290 nan 0.000 0.579 360 A N -1.275 121.451 122.820 -0.157 0.000 2.030 360 A HA 0.504 4.839 4.320 0.025 0.000 0.215 360 A C 0.608 178.052 177.584 -0.234 0.000 1.164 360 A CA 2.019 53.909 52.037 -0.244 0.000 0.697 360 A CB -0.439 18.317 19.000 -0.406 0.000 0.827 360 A HN 1.605 nan 8.150 nan 0.000 0.457 361 H N -4.107 115.040 119.070 0.128 0.000 3.098 361 H HA 0.560 5.131 4.556 0.024 0.000 0.293 361 H C -0.731 174.701 175.328 0.173 0.000 1.231 361 H CA -0.192 55.947 56.048 0.150 0.000 1.592 361 H CB -0.347 29.512 29.762 0.162 0.000 2.251 361 H HN 0.131 nan 8.280 nan 0.000 0.415 362 T N 1.461 116.197 114.554 0.304 0.000 2.648 362 T HA 0.615 4.980 4.350 0.025 0.000 0.304 362 T C -1.530 173.309 174.700 0.231 0.000 1.312 362 T CA -0.400 61.869 62.100 0.282 0.000 1.023 362 T CB 1.420 70.408 68.868 0.200 0.000 1.612 362 T HN 1.089 nan 8.240 nan 0.000 0.487 363 N N -0.178 118.630 118.700 0.180 0.000 2.357 363 N HA 0.465 5.220 4.740 0.025 0.000 0.284 363 N C -0.200 175.340 175.510 0.050 0.000 1.236 363 N CA -0.693 52.430 53.050 0.122 0.000 0.774 363 N CB 1.016 39.576 38.487 0.122 0.000 1.534 363 N HN 0.335 nan 8.380 nan 0.000 0.478 364 D N 0.060 120.524 120.400 0.106 0.000 2.149 364 D HA -0.117 4.538 4.640 0.025 0.000 0.198 364 D C 1.607 177.907 176.300 0.001 0.000 0.990 364 D CA 1.094 55.198 54.000 0.173 0.000 0.839 364 D CB -0.093 40.889 40.800 0.304 0.000 0.948 364 D HN 0.385 nan 8.370 nan 0.000 0.460 365 V N 0.662 120.384 119.914 -0.320 0.000 2.427 365 V HA -0.213 3.922 4.120 0.025 0.000 0.248 365 V C 2.315 177.953 176.094 -0.761 0.000 1.051 365 V CA 1.386 63.298 62.300 -0.646 0.000 1.048 365 V CB -0.374 30.740 31.823 -1.183 0.000 0.666 365 V HN 0.094 nan 8.190 nan 0.000 0.456 366 K N 0.682 120.641 120.400 -0.735 0.000 2.026 366 K HA -0.187 4.148 4.320 0.025 0.000 0.208 366 K C 2.135 178.591 176.600 -0.240 0.000 1.048 366 K CA 1.700 57.751 56.287 -0.393 0.000 0.929 366 K CB -0.443 32.012 32.500 -0.075 0.000 0.713 366 K HN 0.495 nan 8.250 nan 0.000 0.439 367 Q N -0.226 119.484 119.800 -0.151 0.000 2.124 367 Q HA -0.140 4.215 4.340 0.025 0.000 0.202 367 Q C 1.980 177.674 176.000 -0.510 0.000 0.977 367 Q CA 1.373 57.104 55.803 -0.120 0.000 0.850 367 Q CB -0.249 28.630 28.738 0.234 0.000 0.901 367 Q HN 0.284 nan 8.270 nan 0.000 0.429 368 L N 0.434 121.274 121.223 -0.639 0.000 2.046 368 L HA -0.152 4.203 4.340 0.025 0.000 0.208 368 L C 2.218 178.595 176.870 -0.821 0.000 1.077 368 L CA 1.977 56.173 54.840 -1.073 0.000 0.747 368 L CB -1.009 40.621 42.059 -0.715 0.000 0.896 368 L HN 0.055 nan 8.230 nan 0.000 0.432 369 T N -0.562 113.630 114.554 -0.603 0.000 2.759 369 T HA -0.183 4.182 4.350 0.025 0.000 0.269 369 T C 1.707 176.145 174.700 -0.437 0.000 1.042 369 T CA 1.816 63.616 62.100 -0.500 0.000 1.140 369 T CB -0.094 68.622 68.868 -0.252 0.000 0.864 369 T HN 0.524 nan 8.240 nan 0.000 0.455 370 E N 0.446 120.412 120.200 -0.390 0.000 2.107 370 E HA 0.031 4.396 4.350 0.025 0.000 0.191 370 E C 2.543 178.886 176.600 -0.427 0.000 0.982 370 E CA 0.778 56.980 56.400 -0.331 0.000 0.809 370 E CB -0.156 29.398 29.700 -0.244 0.000 0.756 370 E HN 0.465 nan 8.360 nan 0.000 0.459 371 A N 1.186 123.674 122.820 -0.553 0.000 1.908 371 A HA -0.159 4.176 4.320 0.025 0.000 0.218 371 A C 2.516 179.873 177.584 -0.379 0.000 1.181 371 A CA 1.205 52.950 52.037 -0.486 0.000 0.627 371 A CB -0.758 17.860 19.000 -0.636 0.000 0.818 371 A HN 0.108 nan 8.150 nan 0.000 0.445 372 V N 0.964 120.561 119.914 -0.529 0.000 2.332 372 V HA -0.355 3.780 4.120 0.025 0.000 0.248 372 V C 2.857 178.684 176.094 -0.446 0.000 1.055 372 V CA 2.536 64.451 62.300 -0.642 0.000 1.038 372 V CB -1.013 30.223 31.823 -0.979 0.000 0.651 372 V HN 0.927 nan 8.190 nan 0.000 0.450 373 Q N 0.557 120.135 119.800 -0.370 0.000 2.172 373 Q HA -0.148 4.207 4.340 0.025 0.000 0.200 373 Q C 1.949 177.846 176.000 -0.173 0.000 0.964 373 Q CA 1.624 57.290 55.803 -0.230 0.000 0.855 373 Q CB -0.499 28.132 28.738 -0.179 0.000 0.918 373 Q HN 0.502 nan 8.270 nan 0.000 0.444 374 K N 0.576 120.833 120.400 -0.239 0.000 2.026 374 K HA -0.042 4.293 4.320 0.025 0.000 0.208 374 K C 2.101 178.647 176.600 -0.091 0.000 1.048 374 K CA 1.630 57.784 56.287 -0.222 0.000 0.929 374 K CB -0.246 31.940 32.500 -0.523 0.000 0.713 374 K HN 0.258 nan 8.250 nan 0.000 0.439 375 I N 0.992 121.515 120.570 -0.079 0.000 2.163 375 I HA -0.293 3.892 4.170 0.025 0.000 0.243 375 I C 2.228 178.358 176.117 0.022 0.000 1.085 375 I CA 1.355 62.609 61.300 -0.076 0.000 1.347 375 I CB -0.571 37.386 38.000 -0.072 0.000 1.044 375 I HN 0.205 nan 8.210 nan 0.000 0.408 376 T N -0.051 114.541 114.554 0.064 0.000 2.720 376 T HA -0.185 4.180 4.350 0.025 0.000 0.268 376 T C 1.900 176.624 174.700 0.041 0.000 1.037 376 T CA 2.087 64.241 62.100 0.091 0.000 1.144 376 T CB -0.365 68.540 68.868 0.060 0.000 0.864 376 T HN 0.368 nan 8.240 nan 0.000 0.444 377 T N 1.319 115.874 114.554 0.001 0.000 2.788 377 T HA -0.097 4.268 4.350 0.025 0.000 0.268 377 T C 1.936 176.626 174.700 -0.016 0.000 1.044 377 T CA 1.385 63.482 62.100 -0.006 0.000 1.139 377 T CB -0.201 68.652 68.868 -0.024 0.000 0.867 377 T HN 0.564 nan 8.240 nan 0.000 0.454 378 E N 0.630 120.814 120.200 -0.026 0.000 2.072 378 E HA -0.103 4.262 4.350 0.025 0.000 0.191 378 E C 2.245 178.779 176.600 -0.110 0.000 0.985 378 E CA 1.142 57.501 56.400 -0.068 0.000 0.801 378 E CB -0.027 29.641 29.700 -0.053 0.000 0.750 378 E HN 0.328 nan 8.360 nan 0.000 0.452 379 S N 0.603 116.310 115.700 0.011 0.000 2.383 379 S HA -0.103 4.382 4.470 0.025 0.000 0.227 379 S C 1.855 176.524 174.600 0.115 0.000 1.026 379 S CA 0.732 59.040 58.200 0.180 0.000 0.981 379 S CB -0.098 63.278 63.200 0.292 0.000 0.818 379 S HN 0.302 nan 8.310 nan 0.000 0.472 380 I N 1.494 122.099 120.570 0.057 0.000 2.179 380 I HA -0.099 4.086 4.170 0.025 0.000 0.242 380 I C 2.302 178.416 176.117 -0.005 0.000 1.088 380 I CA 1.040 62.368 61.300 0.048 0.000 1.357 380 I CB -1.609 36.415 38.000 0.040 0.000 1.051 380 I HN 0.150 nan 8.210 nan 0.000 0.409 381 V N 1.269 121.149 119.914 -0.057 0.000 2.295 381 V HA -0.241 3.894 4.120 0.025 0.000 0.246 381 V C 2.514 178.491 176.094 -0.195 0.000 1.049 381 V CA 1.445 63.688 62.300 -0.095 0.000 1.024 381 V CB -0.395 31.369 31.823 -0.098 0.000 0.648 381 V HN 0.234 nan 8.190 nan 0.000 0.447 382 I N -1.605 118.730 120.570 -0.392 0.000 2.277 382 I HA -0.126 4.059 4.170 0.025 0.000 0.243 382 I C 1.930 177.610 176.117 -0.729 0.000 1.094 382 I CA 1.727 62.565 61.300 -0.769 0.000 1.393 382 I CB -0.687 36.330 38.000 -1.639 0.000 1.078 382 I HN 0.462 nan 8.210 nan 0.000 0.417 383 W N 0.439 121.631 121.300 -0.181 0.000 2.714 383 W HA 0.386 5.061 4.660 0.025 0.000 0.353 383 W C 1.356 177.829 176.519 -0.077 0.000 0.999 383 W CA 0.371 57.577 57.345 -0.232 0.000 1.629 383 W CB -0.368 28.815 29.460 -0.462 0.000 1.106 383 W HN 0.350 nan 8.180 nan 0.000 0.545 384 G N 2.341 111.217 108.800 0.126 0.000 2.233 384 G HA2 -0.336 3.639 3.960 0.025 0.000 0.270 384 G HA3 -0.336 3.639 3.960 0.025 0.000 0.270 384 G C 0.203 175.177 174.900 0.123 0.000 1.011 384 G CA 1.031 46.197 45.100 0.109 0.000 0.762 384 G HN 0.289 nan 8.290 nan 0.000 0.511 385 K N -1.291 119.197 120.400 0.146 0.000 2.495 385 K HA 0.653 4.988 4.320 0.025 0.000 0.268 385 K C -0.846 175.801 176.600 0.079 0.000 1.008 385 K CA -0.785 55.562 56.287 0.100 0.000 0.882 385 K CB 1.683 34.233 32.500 0.083 0.000 1.443 385 K HN 0.016 nan 8.250 nan 0.000 0.447 386 T N 2.757 117.331 114.554 0.032 0.000 2.779 386 T HA 0.374 4.739 4.350 0.025 0.000 0.280 386 T C -2.510 172.118 174.700 -0.121 0.000 0.987 386 T CA -1.490 60.614 62.100 0.008 0.000 0.966 386 T CB 1.399 70.311 68.868 0.072 0.000 0.933 386 T HN 0.257 nan 8.240 nan 0.000 0.442 387 P HA 0.197 nan 4.420 nan 0.000 0.270 387 P C -0.324 176.647 177.300 -0.547 0.000 1.223 387 P CA -0.494 62.289 63.100 -0.529 0.000 0.785 387 P CB 0.558 31.786 31.700 -0.788 0.000 0.923 388 K N 1.439 121.571 120.400 -0.446 0.000 2.205 388 K HA 0.372 4.707 4.320 0.025 0.000 0.279 388 K C -0.510 175.865 176.600 -0.374 0.000 1.027 388 K CA -0.207 55.926 56.287 -0.256 0.000 0.932 388 K CB 0.433 32.831 32.500 -0.171 0.000 1.032 388 K HN 0.323 nan 8.250 nan 0.000 0.466 389 F N 1.714 121.630 119.950 -0.056 0.000 2.421 389 F HA 0.302 4.842 4.527 0.022 0.000 0.337 389 F C 0.467 176.309 175.800 0.070 0.000 1.105 389 F CA -0.635 57.349 58.000 -0.027 0.000 1.049 389 F CB 1.368 40.321 39.000 -0.079 0.000 1.139 389 F HN 0.139 nan 8.300 nan 0.000 0.479 390 K N 5.307 125.847 120.400 0.234 0.000 2.449 390 K HA 0.552 4.888 4.320 0.025 0.000 0.257 390 K C -1.308 175.427 176.600 0.225 0.000 0.989 390 K CA -0.359 56.051 56.287 0.205 0.000 0.916 390 K CB 1.414 33.990 32.500 0.126 0.000 1.136 390 K HN 0.515 nan 8.250 nan 0.000 0.439 391 L N 4.009 125.404 121.223 0.286 0.000 2.346 391 L HA 0.440 4.795 4.340 0.025 0.000 0.274 391 L C -1.957 175.070 176.870 0.261 0.000 1.007 391 L CA -2.299 52.651 54.840 0.184 0.000 0.818 391 L CB 1.979 43.993 42.059 -0.074 0.000 1.284 391 L HN 0.371 nan 8.230 nan 0.000 0.424 392 P HA 0.145 nan 4.420 nan 0.000 0.232 392 P C -0.593 176.896 177.300 0.315 0.000 1.738 392 P CA 0.520 63.774 63.100 0.258 0.000 0.948 392 P CB 0.140 31.959 31.700 0.198 0.000 1.943 393 I N -0.859 119.969 120.570 0.430 0.000 2.722 393 I HA 0.230 4.415 4.170 0.025 0.000 0.292 393 I C -0.868 175.402 176.117 0.255 0.000 1.267 393 I CA -0.941 60.510 61.300 0.252 0.000 1.036 393 I CB 2.752 40.770 38.000 0.031 0.000 1.281 393 I HN -0.136 nan 8.210 nan 0.000 0.423 394 Q N 5.446 125.172 119.800 -0.124 0.000 2.354 394 Q HA 0.240 4.596 4.340 0.025 0.000 0.244 394 Q C 0.452 176.510 176.000 0.096 0.000 0.969 394 Q CA -0.659 54.865 55.803 -0.465 0.000 0.885 394 Q CB 1.273 29.704 28.738 -0.512 0.000 1.241 394 Q HN 0.503 nan 8.270 nan 0.000 0.461 395 K N 1.606 122.040 120.400 0.057 0.000 2.097 395 K HA -0.212 4.123 4.320 0.025 0.000 0.206 395 K C 1.599 178.372 176.600 0.289 0.000 1.049 395 K CA 1.350 57.794 56.287 0.262 0.000 0.933 395 K CB 0.035 32.536 32.500 0.002 0.000 0.717 395 K HN 0.677 nan 8.250 nan 0.000 0.442 396 E N 0.281 120.549 120.200 0.113 0.000 2.077 396 E HA -0.134 4.231 4.350 0.025 0.000 0.193 396 E C 1.587 178.266 176.600 0.132 0.000 0.989 396 E CA 1.502 57.957 56.400 0.092 0.000 0.800 396 E CB 0.151 29.860 29.700 0.014 0.000 0.746 396 E HN 0.202 nan 8.360 nan 0.000 0.452 397 T N 0.918 115.550 114.554 0.130 0.000 2.720 397 T HA -0.209 4.156 4.350 0.025 0.000 0.268 397 T C 1.253 176.118 174.700 0.274 0.000 1.037 397 T CA 1.351 63.536 62.100 0.142 0.000 1.144 397 T CB -0.509 68.410 68.868 0.085 0.000 0.864 397 T HN 0.460 nan 8.240 nan 0.000 0.444 398 W N 1.946 123.368 121.300 0.203 0.000 2.354 398 W HA -0.180 4.493 4.660 0.022 0.000 0.315 398 W C 2.260 179.061 176.519 0.470 0.000 1.206 398 W CA 1.601 59.137 57.345 0.317 0.000 1.290 398 W CB -0.265 29.432 29.460 0.395 0.000 1.152 398 W HN 0.243 nan 8.180 nan 0.000 0.489 399 E N 0.228 120.608 120.200 0.299 0.000 2.097 399 E HA -0.205 4.160 4.350 0.025 0.000 0.196 399 E C 2.104 178.597 176.600 -0.179 0.000 1.000 399 E CA 2.800 59.231 56.400 0.051 0.000 0.804 399 E CB -0.562 29.217 29.700 0.131 0.000 0.740 399 E HN 0.060 nan 8.360 nan 0.000 0.454 400 T N -0.544 113.987 114.554 -0.038 0.000 2.668 400 T HA -0.153 4.212 4.350 0.025 0.000 0.262 400 T C 1.161 175.816 174.700 -0.075 0.000 1.045 400 T CA 1.411 63.475 62.100 -0.061 0.000 1.152 400 T CB -0.618 68.260 68.868 0.017 0.000 0.864 400 T HN 0.437 nan 8.240 nan 0.000 0.419 401 W N 0.844 122.040 121.300 -0.173 0.000 2.348 401 W HA -0.151 4.528 4.660 0.031 0.000 0.324 401 W C 2.260 178.630 176.519 -0.248 0.000 1.209 401 W CA 1.496 58.733 57.345 -0.180 0.000 1.275 401 W CB -0.846 28.523 29.460 -0.153 0.000 1.175 401 W HN 0.428 nan 8.180 nan 0.000 0.461 402 W N 1.349 122.403 121.300 -0.410 0.000 2.304 402 W HA -0.283 4.391 4.660 0.022 0.000 0.315 402 W C 2.318 178.523 176.519 -0.522 0.000 1.233 402 W CA 3.168 60.065 57.345 -0.747 0.000 1.261 402 W CB -1.512 27.194 29.460 -1.257 0.000 1.150 402 W HN -0.084 nan 8.180 nan 0.000 0.494 403 T N 0.665 114.472 114.554 -1.245 0.000 2.869 403 T HA -0.263 4.102 4.350 0.025 0.000 0.270 403 T C 1.358 175.690 174.700 -0.614 0.000 1.082 403 T CA 2.069 63.413 62.100 -1.259 0.000 1.123 403 T CB -0.317 67.925 68.868 -1.042 0.000 0.856 403 T HN 0.675 nan 8.240 nan 0.000 0.499 404 E N -1.826 118.094 120.200 -0.467 0.000 2.601 404 E HA 0.141 4.506 4.350 0.025 0.000 0.219 404 E C 0.090 176.540 176.600 -0.250 0.000 0.964 404 E CA -0.666 55.556 56.400 -0.296 0.000 1.050 404 E CB -0.176 29.390 29.700 -0.224 0.000 1.068 404 E HN 0.425 nan 8.360 nan 0.000 0.496 405 Y N 2.700 122.651 120.300 -0.582 0.000 2.550 405 Y HA -0.098 4.469 4.550 0.028 0.000 0.343 405 Y C 1.302 176.998 175.900 -0.340 0.000 1.245 405 Y CA -0.612 57.113 58.100 -0.624 0.000 1.462 405 Y CB 0.524 38.261 38.460 -1.206 0.000 1.340 405 Y HN 0.282 nan 8.280 nan 0.000 0.604 406 W N 3.802 124.649 121.300 -0.756 0.000 2.465 406 W HA -0.019 4.656 4.660 0.025 0.000 0.268 406 W C -0.457 175.850 176.519 -0.354 0.000 1.242 406 W CA 0.428 57.471 57.345 -0.504 0.000 1.248 406 W CB -0.186 28.968 29.460 -0.510 0.000 1.118 406 W HN 0.544 nan 8.180 nan 0.000 0.587 407 Q N 1.278 120.299 119.800 -1.300 0.000 2.274 407 Q HA 0.523 4.878 4.340 0.025 0.000 0.260 407 Q C -0.351 175.429 176.000 -0.368 0.000 0.974 407 Q CA -0.523 54.623 55.803 -1.094 0.000 0.876 407 Q CB 2.125 29.835 28.738 -1.713 0.000 1.297 407 Q HN 0.031 nan 8.270 nan 0.000 0.446 408 A N 2.598 125.295 122.820 -0.205 0.000 2.520 408 A HA 0.374 4.709 4.320 0.025 0.000 0.245 408 A C -0.094 177.498 177.584 0.013 0.000 1.072 408 A CA 0.495 52.507 52.037 -0.042 0.000 0.761 408 A CB 0.559 19.543 19.000 -0.026 0.000 1.004 408 A HN 0.667 nan 8.150 nan 0.000 0.499 409 T N 1.249 115.868 114.554 0.108 0.000 2.843 409 T HA 0.600 4.965 4.350 0.025 0.000 0.302 409 T C -1.911 172.950 174.700 0.268 0.000 1.232 409 T CA -0.293 61.925 62.100 0.195 0.000 1.009 409 T CB 0.878 69.932 68.868 0.310 0.000 1.254 409 T HN 1.165 nan 8.240 nan 0.000 0.504 410 W N 2.801 124.118 121.300 0.029 0.000 3.153 410 W HA 0.729 5.406 4.660 0.028 0.000 0.316 410 W C -2.576 173.810 176.519 -0.222 0.000 1.255 410 W CA -0.919 56.387 57.345 -0.065 0.000 1.192 410 W CB 0.955 30.345 29.460 -0.116 0.000 1.400 410 W HN 0.676 nan 8.180 nan 0.000 0.568 411 I N 5.093 125.027 120.570 -1.059 0.000 2.548 411 I HA 0.243 4.428 4.170 0.025 0.000 0.287 411 I C -2.051 173.075 176.117 -1.652 0.000 1.103 411 I CA -1.934 58.568 61.300 -1.331 0.000 1.049 411 I CB 2.208 39.257 38.000 -1.585 0.000 1.232 411 I HN 0.076 nan 8.210 nan 0.000 0.429 412 P HA -0.040 nan 4.420 nan 0.000 0.273 412 P C -0.252 176.838 177.300 -0.351 0.000 1.258 412 P CA -0.307 62.135 63.100 -1.097 0.000 0.802 412 P CB 0.415 31.807 31.700 -0.515 0.000 1.040 413 E N 1.166 121.322 120.200 -0.072 0.000 2.708 413 E HA -0.075 4.290 4.350 0.025 0.000 0.260 413 E C -0.895 175.814 176.600 0.181 0.000 0.937 413 E CA 0.607 57.039 56.400 0.053 0.000 0.953 413 E CB 0.093 29.819 29.700 0.045 0.000 0.915 413 E HN 0.381 nan 8.360 nan 0.000 0.487 414 W N 3.166 124.410 121.300 -0.094 0.000 3.025 414 W HA 0.503 5.174 4.660 0.018 0.000 0.343 414 W C -1.470 175.035 176.519 -0.024 0.000 1.246 414 W CA -0.938 56.377 57.345 -0.049 0.000 1.178 414 W CB 0.224 29.590 29.460 -0.156 0.000 1.463 414 W HN 0.568 nan 8.180 nan 0.000 0.578 415 E N 0.918 121.164 120.200 0.076 0.000 2.383 415 E HA 0.553 4.918 4.350 0.025 0.000 0.275 415 E C -1.915 174.800 176.600 0.191 0.000 0.918 415 E CA -0.846 55.482 56.400 -0.119 0.000 0.764 415 E CB 2.927 32.597 29.700 -0.049 0.000 1.252 415 E HN 0.200 nan 8.360 nan 0.000 0.449 416 F N 2.338 122.251 119.950 -0.061 0.000 2.429 416 F HA 0.453 4.986 4.527 0.011 0.000 0.348 416 F C -0.889 174.983 175.800 0.119 0.000 1.109 416 F CA -0.655 57.431 58.000 0.143 0.000 1.232 416 F CB 1.462 40.502 39.000 0.067 0.000 1.157 416 F HN 0.282 nan 8.300 nan 0.000 0.564 417 V N 7.552 127.141 119.914 -0.542 0.000 2.462 417 V HA 0.251 4.386 4.120 0.025 0.000 0.288 417 V C -0.716 174.909 176.094 -0.781 0.000 1.020 417 V CA -0.815 61.147 62.300 -0.563 0.000 0.857 417 V CB 1.092 32.834 31.823 -0.135 0.000 1.013 417 V HN 0.828 nan 8.190 nan 0.000 0.431 418 N N 4.431 122.565 118.700 -0.944 0.000 2.498 418 N HA 0.146 4.901 4.740 0.025 0.000 0.277 418 N C -0.473 174.951 175.510 -0.143 0.000 1.208 418 N CA 0.292 53.071 53.050 -0.453 0.000 1.029 418 N CB 0.295 38.650 38.487 -0.220 0.000 1.403 418 N HN 0.723 nan 8.380 nan 0.000 0.500 419 T N 3.908 118.427 114.554 -0.058 0.000 3.077 419 T HA 0.287 4.652 4.350 0.025 0.000 0.359 419 T C -2.501 172.221 174.700 0.037 0.000 1.108 419 T CA -0.980 61.116 62.100 -0.006 0.000 1.170 419 T CB 1.605 70.470 68.868 -0.005 0.000 1.045 419 T HN 0.261 nan 8.240 nan 0.000 0.505 420 P HA 0.106 nan 4.420 nan 0.000 0.266 420 P C -2.201 175.120 177.300 0.035 0.000 1.186 420 P CA -0.752 62.376 63.100 0.047 0.000 0.767 420 P CB -0.043 31.680 31.700 0.037 0.000 0.820 421 P HA 0.209 nan 4.420 nan 0.000 0.285 421 P C -0.613 176.728 177.300 0.068 0.000 1.259 421 P CA -0.132 62.996 63.100 0.047 0.000 0.794 421 P CB 0.827 32.553 31.700 0.044 0.000 0.940 422 L N 2.168 123.436 121.223 0.076 0.000 2.453 422 L HA 0.257 4.612 4.340 0.025 0.000 0.261 422 L C 0.536 177.444 176.870 0.063 0.000 1.179 422 L CA -0.976 53.930 54.840 0.110 0.000 0.813 422 L CB 0.675 42.814 42.059 0.133 0.000 1.110 422 L HN 0.142 nan 8.230 nan 0.000 0.466 423 V N 2.361 122.333 119.914 0.096 0.000 2.406 423 V HA 0.225 4.360 4.120 0.025 0.000 0.272 423 V C -0.001 176.074 176.094 -0.031 0.000 1.043 423 V CA -0.317 62.029 62.300 0.077 0.000 0.915 423 V CB 0.992 32.908 31.823 0.155 0.000 0.988 423 V HN 0.807 nan 8.190 nan 0.000 0.466 424 K N 4.973 125.276 120.400 -0.162 0.000 2.283 424 K HA 0.720 5.055 4.320 0.025 0.000 0.257 424 K C -1.167 175.243 176.600 -0.316 0.000 1.066 424 K CA -0.935 55.204 56.287 -0.247 0.000 0.891 424 K CB 1.109 33.415 32.500 -0.324 0.000 1.438 424 K HN 0.298 nan 8.250 nan 0.000 0.464 425 L N 1.904 122.979 121.223 -0.248 0.000 2.260 425 L HA 0.291 4.646 4.340 0.025 0.000 0.289 425 L C 0.067 176.805 176.870 -0.220 0.000 1.057 425 L CA -0.507 54.237 54.840 -0.159 0.000 0.811 425 L CB 0.326 42.352 42.059 -0.055 0.000 1.184 425 L HN 0.635 nan 8.230 nan 0.000 0.429 426 W N 3.230 124.526 121.300 -0.007 0.000 2.465 426 W HA -0.078 4.597 4.660 0.025 0.000 0.268 426 W C 0.408 177.055 176.519 0.213 0.000 1.242 426 W CA 0.361 57.768 57.345 0.102 0.000 1.248 426 W CB -0.149 29.411 29.460 0.167 0.000 1.118 426 W HN 0.537 nan 8.180 nan 0.000 0.587 427 Y N -3.610 116.827 120.300 0.227 0.000 2.741 427 Y HA 0.514 5.078 4.550 0.023 0.000 0.339 427 Y C -1.279 174.707 175.900 0.143 0.000 1.226 427 Y CA -2.118 56.078 58.100 0.161 0.000 1.072 427 Y CB 0.461 39.021 38.460 0.168 0.000 1.331 427 Y HN -0.171 nan 8.280 nan 0.000 0.453 428 Q N 2.473 122.443 119.800 0.283 0.000 2.334 428 Q HA 0.434 4.789 4.340 0.025 0.000 0.249 428 Q C -1.551 174.598 176.000 0.249 0.000 0.909 428 Q CA -0.660 55.247 55.803 0.173 0.000 0.823 428 Q CB 2.528 31.324 28.738 0.097 0.000 1.353 428 Q HN 0.742 nan 8.270 nan 0.000 0.433 429 L N 2.313 123.706 121.223 0.282 0.000 2.514 429 L HA 0.035 4.390 4.340 0.025 0.000 0.280 429 L C 0.855 177.839 176.870 0.189 0.000 1.223 429 L CA 0.151 55.125 54.840 0.223 0.000 0.864 429 L CB 0.173 42.339 42.059 0.178 0.000 1.118 429 L HN 0.410 nan 8.230 nan 0.000 0.494 430 E N 2.219 122.553 120.200 0.224 0.000 2.418 430 E HA -0.040 4.325 4.350 0.025 0.000 0.261 430 E C 0.415 177.191 176.600 0.293 0.000 1.070 430 E CA -0.038 56.500 56.400 0.230 0.000 0.931 430 E CB 0.713 30.550 29.700 0.229 0.000 0.954 430 E HN 0.322 nan 8.360 nan 0.000 0.439 431 K N 0.752 121.249 120.400 0.161 0.000 2.305 431 K HA 0.022 4.357 4.320 0.025 0.000 0.199 431 K C 0.044 176.709 176.600 0.107 0.000 1.047 431 K CA 0.828 57.200 56.287 0.141 0.000 0.976 431 K CB 0.427 32.962 32.500 0.058 0.000 0.765 431 K HN 0.301 nan 8.250 nan 0.000 0.474 432 E N -0.361 119.780 120.200 -0.099 0.000 2.383 432 E HA 0.277 4.642 4.350 0.025 0.000 0.275 432 E C -2.739 173.250 176.600 -1.019 0.000 0.918 432 E CA -2.505 53.630 56.400 -0.440 0.000 0.764 432 E CB 1.346 30.909 29.700 -0.229 0.000 1.252 432 E HN -0.179 nan 8.360 nan 0.000 0.449 433 P HA 0.076 nan 4.420 nan 0.000 0.266 433 P C -0.049 177.008 177.300 -0.405 0.000 1.193 433 P CA 0.268 62.742 63.100 -1.045 0.000 0.770 433 P CB 0.545 31.958 31.700 -0.479 0.000 0.836 434 I N 2.182 122.646 120.570 -0.177 0.000 2.301 434 I HA 0.097 4.282 4.170 0.025 0.000 0.292 434 I C 0.579 176.672 176.117 -0.041 0.000 1.046 434 I CA -0.919 60.338 61.300 -0.072 0.000 1.282 434 I CB 0.945 38.946 38.000 0.001 0.000 1.409 434 I HN 0.033 nan 8.210 nan 0.000 0.484 435 V N 6.515 126.403 119.914 -0.044 0.000 2.673 435 V HA 0.182 4.318 4.120 0.025 0.000 0.303 435 V C 1.347 177.439 176.094 -0.004 0.000 1.046 435 V CA 1.281 63.568 62.300 -0.023 0.000 1.126 435 V CB 0.545 32.353 31.823 -0.024 0.000 0.934 435 V HN 1.153 nan 8.190 nan 0.000 0.487 436 G N 3.529 112.332 108.800 0.006 0.000 2.253 436 G HA2 -0.149 3.826 3.960 0.025 0.000 0.251 436 G HA3 -0.149 3.826 3.960 0.025 0.000 0.251 436 G C 0.412 175.328 174.900 0.026 0.000 0.998 436 G CA 0.216 45.325 45.100 0.014 0.000 0.621 436 G HN 1.545 nan 8.290 nan 0.000 0.524 437 A N 0.353 123.192 122.820 0.032 0.000 2.331 437 A HA 0.678 5.013 4.320 0.025 0.000 0.283 437 A C 0.394 178.025 177.584 0.077 0.000 1.142 437 A CA 0.555 52.623 52.037 0.051 0.000 0.812 437 A CB 0.560 19.589 19.000 0.049 0.000 1.074 437 A HN 0.696 nan 8.150 nan 0.000 0.497 438 E N 1.111 121.378 120.200 0.112 0.000 2.442 438 E HA 0.150 4.515 4.350 0.025 0.000 0.262 438 E C -0.620 176.108 176.600 0.213 0.000 1.004 438 E CA 0.406 56.892 56.400 0.145 0.000 0.928 438 E CB 0.403 30.227 29.700 0.206 0.000 0.937 438 E HN 0.514 nan 8.360 nan 0.000 0.446 439 T N 5.058 119.700 114.554 0.147 0.000 2.756 439 T HA 0.314 4.679 4.350 0.025 0.000 0.290 439 T C -1.102 173.687 174.700 0.148 0.000 0.985 439 T CA -0.396 61.788 62.100 0.139 0.000 0.955 439 T CB -0.014 68.896 68.868 0.070 0.000 0.930 439 T HN 0.231 nan 8.240 nan 0.000 0.451 440 F N 3.126 123.008 119.950 -0.113 0.000 2.404 440 F HA 0.419 4.962 4.527 0.027 0.000 0.354 440 F C -0.108 175.632 175.800 -0.100 0.000 1.122 440 F CA -1.390 56.561 58.000 -0.082 0.000 1.080 440 F CB 0.606 39.484 39.000 -0.202 0.000 1.131 440 F HN 0.500 nan 8.300 nan 0.000 0.471 441 Y N 3.210 123.605 120.300 0.158 0.000 2.383 441 Y HA 0.470 5.036 4.550 0.026 0.000 0.344 441 Y C 0.226 176.223 175.900 0.161 0.000 0.986 441 Y CA -0.934 57.234 58.100 0.112 0.000 1.175 441 Y CB 0.993 39.486 38.460 0.054 0.000 1.152 441 Y HN 0.399 nan 8.280 nan 0.000 0.511 442 V N 0.312 120.358 119.914 0.219 0.000 2.732 442 V HA 0.814 4.949 4.120 0.025 0.000 0.310 442 V C -0.979 175.198 176.094 0.139 0.000 1.053 442 V CA -0.515 61.915 62.300 0.216 0.000 0.957 442 V CB 2.133 34.066 31.823 0.184 0.000 1.018 442 V HN 0.635 nan 8.190 nan 0.000 0.452 443 D N 1.198 121.672 120.400 0.122 0.000 2.736 443 D HA 0.749 5.405 4.640 0.025 0.000 0.223 443 D C -0.500 175.836 176.300 0.060 0.000 1.231 443 D CA 0.418 54.460 54.000 0.070 0.000 0.818 443 D CB 2.220 43.048 40.800 0.048 0.000 1.587 443 D HN 1.199 nan 8.370 nan 0.000 0.463 444 G N 0.255 109.081 108.800 0.044 0.000 2.701 444 G HA2 0.790 4.765 3.960 0.025 0.000 0.300 444 G HA3 0.790 4.765 3.960 0.025 0.000 0.300 444 G C -1.547 173.371 174.900 0.030 0.000 1.410 444 G CA -0.355 44.769 45.100 0.039 0.000 1.014 444 G HN 0.569 nan 8.290 nan 0.000 0.509 445 A N 0.202 123.039 122.820 0.028 0.000 2.520 445 A HA 1.028 5.363 4.320 0.025 0.000 0.298 445 A C -0.506 177.095 177.584 0.027 0.000 1.051 445 A CA -0.060 51.995 52.037 0.031 0.000 0.690 445 A CB 1.751 20.772 19.000 0.034 0.000 1.281 445 A HN 2.349 nan 8.150 nan 0.000 0.402 446 A N 1.466 124.303 122.820 0.029 0.000 2.549 446 A HA 0.716 5.051 4.320 0.025 0.000 0.297 446 A C -0.803 176.795 177.584 0.025 0.000 1.061 446 A CA -0.691 51.360 52.037 0.023 0.000 0.690 446 A CB 1.151 20.162 19.000 0.018 0.000 1.287 446 A HN 0.829 nan 8.150 nan 0.000 0.402 447 N N 0.595 119.307 118.700 0.020 0.000 2.452 447 N HA 0.060 4.815 4.740 0.025 0.000 0.266 447 N C 0.877 176.398 175.510 0.018 0.000 1.175 447 N CA -0.017 53.045 53.050 0.019 0.000 0.945 447 N CB 0.915 39.411 38.487 0.014 0.000 1.063 447 N HN 0.648 nan 8.380 nan 0.000 0.472 448 R N 2.726 123.239 120.500 0.021 0.000 2.127 448 R HA -0.108 4.247 4.340 0.025 0.000 0.238 448 R C 1.332 177.640 176.300 0.015 0.000 1.134 448 R CA 1.685 57.797 56.100 0.019 0.000 0.975 448 R CB 0.166 30.480 30.300 0.023 0.000 0.865 448 R HN 0.706 nan 8.270 nan 0.000 0.447 449 E N -1.781 118.427 120.200 0.013 0.000 2.102 449 E HA -0.056 4.309 4.350 0.025 0.000 0.190 449 E C 1.607 178.212 176.600 0.009 0.000 0.971 449 E CA 1.433 57.839 56.400 0.010 0.000 0.821 449 E CB 0.128 29.834 29.700 0.010 0.000 0.777 449 E HN 0.437 nan 8.360 nan 0.000 0.460 450 T N -0.988 113.571 114.554 0.009 0.000 3.088 450 T HA 0.025 4.390 4.350 0.025 0.000 0.259 450 T C 0.723 175.427 174.700 0.007 0.000 1.122 450 T CA 0.117 62.221 62.100 0.007 0.000 1.095 450 T CB -0.196 68.676 68.868 0.007 0.000 0.930 450 T HN 0.037 nan 8.240 nan 0.000 0.508 451 K N 0.533 120.938 120.400 0.008 0.000 3.069 451 K HA -0.133 4.202 4.320 0.025 0.000 0.267 451 K C -0.581 176.022 176.600 0.006 0.000 1.082 451 K CA 0.251 56.542 56.287 0.006 0.000 0.782 451 K CB -2.245 30.257 32.500 0.004 0.000 1.230 451 K HN 0.486 nan 8.250 nan 0.000 0.488 452 L N 0.260 121.487 121.223 0.007 0.000 2.322 452 L HA 0.635 4.990 4.340 0.025 0.000 0.281 452 L C 0.758 177.633 176.870 0.009 0.000 1.014 452 L CA -0.348 54.496 54.840 0.007 0.000 0.815 452 L CB 1.829 43.892 42.059 0.006 0.000 1.247 452 L HN 0.273 nan 8.230 nan 0.000 0.421 453 G N 2.497 111.303 108.800 0.009 0.000 2.721 453 G HA2 0.616 4.591 3.960 0.025 0.000 0.296 453 G HA3 0.616 4.591 3.960 0.025 0.000 0.296 453 G C -1.836 173.070 174.900 0.010 0.000 1.383 453 G CA -0.560 44.547 45.100 0.012 0.000 0.788 453 G HN 0.390 nan 8.290 nan 0.000 0.500 454 K N -0.745 119.663 120.400 0.013 0.000 2.468 454 K HA 0.705 5.040 4.320 0.025 0.000 0.252 454 K C -0.991 175.619 176.600 0.017 0.000 0.932 454 K CA -0.606 55.687 56.287 0.010 0.000 0.794 454 K CB 2.631 35.132 32.500 0.003 0.000 1.241 454 K HN 0.785 nan 8.250 nan 0.000 0.428 455 A N 1.455 124.286 122.820 0.018 0.000 2.393 455 A HA 0.939 5.274 4.320 0.025 0.000 0.306 455 A C -0.562 177.034 177.584 0.021 0.000 1.050 455 A CA -0.395 51.664 52.037 0.037 0.000 0.724 455 A CB 1.756 20.791 19.000 0.057 0.000 1.248 455 A HN 0.797 nan 8.150 nan 0.000 0.424 456 G N -0.179 108.644 108.800 0.038 0.000 2.428 456 G HA2 0.679 4.654 3.960 0.025 0.000 0.304 456 G HA3 0.679 4.654 3.960 0.025 0.000 0.304 456 G C -1.398 173.551 174.900 0.082 0.000 1.303 456 G CA 0.229 45.305 45.100 -0.039 0.000 0.825 456 G HN 1.948 nan 8.290 nan 0.000 0.484 457 Y N -3.024 117.332 120.300 0.093 0.000 2.744 457 Y HA 0.850 5.416 4.550 0.026 0.000 0.330 457 Y C -1.167 174.763 175.900 0.051 0.000 1.263 457 Y CA -1.756 56.414 58.100 0.117 0.000 1.065 457 Y CB 1.367 39.970 38.460 0.238 0.000 1.306 457 Y HN 0.759 nan 8.280 nan 0.000 0.459 458 V N 1.358 121.487 119.914 0.359 0.000 2.817 458 V HA 0.610 4.746 4.120 0.025 0.000 0.303 458 V C -0.560 175.607 176.094 0.122 0.000 1.151 458 V CA -0.100 62.304 62.300 0.172 0.000 0.929 458 V CB 1.959 33.820 31.823 0.063 0.000 1.030 458 V HN 1.176 nan 8.190 nan 0.000 0.427 459 T N 0.183 114.705 114.554 -0.054 0.000 2.950 459 T HA 0.318 4.683 4.350 0.025 0.000 0.288 459 T C 1.087 175.756 174.700 -0.051 0.000 1.035 459 T CA -0.302 61.690 62.100 -0.180 0.000 1.028 459 T CB 1.513 69.983 68.868 -0.663 0.000 1.109 459 T HN 0.705 nan 8.240 nan 0.000 0.514 460 N N 1.426 120.137 118.700 0.018 0.000 2.443 460 N HA -0.142 4.614 4.740 0.025 0.000 0.184 460 N C 1.232 176.730 175.510 -0.019 0.000 1.037 460 N CA 0.639 53.706 53.050 0.028 0.000 0.896 460 N CB -0.290 38.246 38.487 0.081 0.000 0.959 460 N HN 0.656 nan 8.380 nan 0.000 0.442 461 R N -0.505 119.960 120.500 -0.058 0.000 2.317 461 R HA 0.140 4.495 4.340 0.025 0.000 0.208 461 R C 0.766 177.035 176.300 -0.051 0.000 0.914 461 R CA 0.467 56.537 56.100 -0.051 0.000 1.060 461 R CB 0.134 30.399 30.300 -0.058 0.000 1.015 461 R HN 0.430 nan 8.270 nan 0.000 0.498 462 G N 1.466 110.232 108.800 -0.057 0.000 2.175 462 G HA2 -0.313 3.662 3.960 0.025 0.000 0.244 462 G HA3 -0.313 3.662 3.960 0.025 0.000 0.244 462 G C 0.083 174.961 174.900 -0.035 0.000 0.982 462 G CA -0.161 44.914 45.100 -0.041 0.000 0.641 462 G HN 0.325 nan 8.290 nan 0.000 0.527 463 R N 1.065 121.531 120.500 -0.058 0.000 2.390 463 R HA 0.524 4.879 4.340 0.025 0.000 0.291 463 R C 0.411 176.759 176.300 0.080 0.000 1.070 463 R CA 0.293 56.393 56.100 0.000 0.000 1.014 463 R CB 0.290 30.564 30.300 -0.042 0.000 1.007 463 R HN 0.638 nan 8.270 nan 0.000 0.466 464 Q N 2.838 122.676 119.800 0.064 0.000 2.511 464 Q HA 0.530 4.885 4.340 0.025 0.000 0.289 464 Q C -1.713 174.112 176.000 -0.292 0.000 1.021 464 Q CA -1.221 54.531 55.803 -0.084 0.000 0.785 464 Q CB 2.584 31.279 28.738 -0.073 0.000 1.472 464 Q HN 0.556 nan 8.270 nan 0.000 0.411 465 K N -0.009 120.055 120.400 -0.559 0.000 2.639 465 K HA 0.610 4.945 4.320 0.025 0.000 0.279 465 K C -2.373 173.993 176.600 -0.390 0.000 0.976 465 K CA -0.704 55.295 56.287 -0.480 0.000 0.861 465 K CB 2.699 34.838 32.500 -0.601 0.000 1.436 465 K HN 0.612 nan 8.250 nan 0.000 0.400 466 V N 2.710 122.500 119.914 -0.206 0.000 2.969 466 V HA 0.705 4.840 4.120 0.025 0.000 0.304 466 V C -2.025 174.028 176.094 -0.068 0.000 1.192 466 V CA -0.432 61.795 62.300 -0.121 0.000 0.962 466 V CB 2.178 33.950 31.823 -0.084 0.000 1.045 466 V HN 0.593 nan 8.190 nan 0.000 0.428 467 V N 4.471 124.364 119.914 -0.035 0.000 2.709 467 V HA 0.605 4.740 4.120 0.025 0.000 0.308 467 V C -0.000 176.093 176.094 -0.002 0.000 1.062 467 V CA -0.448 61.846 62.300 -0.010 0.000 0.901 467 V CB 2.577 34.406 31.823 0.010 0.000 1.003 467 V HN 0.978 nan 8.190 nan 0.000 0.425 468 T N 5.890 120.444 114.554 -0.000 0.000 2.837 468 T HA 0.747 5.112 4.350 0.025 0.000 0.285 468 T C -0.408 174.296 174.700 0.007 0.000 0.984 468 T CA -0.226 61.875 62.100 0.002 0.000 1.049 468 T CB 0.793 69.661 68.868 -0.000 0.000 0.947 468 T HN 0.371 nan 8.240 nan 0.000 0.472 469 L N 2.487 123.714 121.223 0.007 0.000 2.341 469 L HA 0.769 5.124 4.340 0.025 0.000 0.267 469 L C 0.417 177.290 176.870 0.005 0.000 1.009 469 L CA -1.081 53.764 54.840 0.007 0.000 0.819 469 L CB 2.332 44.396 42.059 0.008 0.000 1.323 469 L HN 0.718 nan 8.230 nan 0.000 0.425 470 T N -3.347 111.208 114.554 0.003 0.000 2.907 470 T HA 0.446 4.811 4.350 0.025 0.000 0.292 470 T C -0.246 174.454 174.700 -0.000 0.000 1.043 470 T CA -0.540 61.561 62.100 0.002 0.000 1.003 470 T CB 1.769 70.638 68.868 0.002 0.000 1.084 470 T HN 0.684 nan 8.240 nan 0.000 0.483 471 D N -0.082 120.318 120.400 -0.000 0.000 2.716 471 D HA -0.160 4.495 4.640 0.025 0.000 0.239 471 D C -0.164 176.134 176.300 -0.004 0.000 1.125 471 D CA 1.675 55.674 54.000 -0.002 0.000 0.681 471 D CB -1.148 39.650 40.800 -0.003 0.000 1.070 471 D HN 0.954 nan 8.370 nan 0.000 0.432 472 T N -1.318 113.234 114.554 -0.002 0.000 2.910 472 T HA 0.790 5.155 4.350 0.025 0.000 0.287 472 T C 0.033 174.732 174.700 -0.002 0.000 1.050 472 T CA 0.345 62.442 62.100 -0.005 0.000 1.011 472 T CB 1.653 70.519 68.868 -0.004 0.000 1.195 472 T HN 0.269 nan 8.240 nan 0.000 0.540 473 T N -0.592 113.960 114.554 -0.005 0.000 2.940 473 T HA 0.418 4.783 4.350 0.025 0.000 0.288 473 T C 1.032 175.735 174.700 0.005 0.000 1.045 473 T CA -0.682 61.419 62.100 0.001 0.000 1.018 473 T CB 1.302 70.168 68.868 -0.004 0.000 1.151 473 T HN 0.660 nan 8.240 nan 0.000 0.529 474 N N -0.407 118.302 118.700 0.014 0.000 2.106 474 N HA -0.161 4.594 4.740 0.025 0.000 0.188 474 N C 2.024 177.544 175.510 0.017 0.000 1.029 474 N CA 0.658 53.721 53.050 0.023 0.000 0.848 474 N CB -0.086 38.424 38.487 0.037 0.000 1.007 474 N HN 0.686 nan 8.380 nan 0.000 0.423 475 Q N 1.025 120.832 119.800 0.012 0.000 2.062 475 Q HA -0.246 4.109 4.340 0.025 0.000 0.209 475 Q C 1.634 177.608 176.000 -0.043 0.000 0.996 475 Q CA 1.753 57.551 55.803 -0.008 0.000 0.859 475 Q CB 0.032 28.757 28.738 -0.020 0.000 0.920 475 Q HN 0.361 nan 8.270 nan 0.000 0.415 476 K N -0.565 119.808 120.400 -0.046 0.000 2.097 476 K HA -0.117 4.218 4.320 0.025 0.000 0.206 476 K C 2.192 178.779 176.600 -0.022 0.000 1.049 476 K CA 1.734 57.989 56.287 -0.054 0.000 0.933 476 K CB -0.184 32.287 32.500 -0.048 0.000 0.717 476 K HN 0.444 nan 8.250 nan 0.000 0.442 477 T N -0.616 113.937 114.554 -0.001 0.000 2.821 477 T HA -0.109 4.256 4.350 0.025 0.000 0.267 477 T C 1.718 176.438 174.700 0.032 0.000 1.046 477 T CA 0.939 63.050 62.100 0.018 0.000 1.139 477 T CB -0.170 68.711 68.868 0.021 0.000 0.871 477 T HN 0.241 nan 8.240 nan 0.000 0.454 478 E N 1.211 121.428 120.200 0.028 0.000 2.051 478 E HA -0.029 4.336 4.350 0.025 0.000 0.192 478 E C 2.249 178.877 176.600 0.047 0.000 0.991 478 E CA 1.176 57.603 56.400 0.044 0.000 0.799 478 E CB -0.357 29.372 29.700 0.049 0.000 0.748 478 E HN 0.468 nan 8.360 nan 0.000 0.449 479 L N 0.636 121.867 121.223 0.013 0.000 2.141 479 L HA -0.195 4.160 4.340 0.025 0.000 0.209 479 L C 2.645 179.546 176.870 0.052 0.000 1.094 479 L CA 0.819 55.660 54.840 0.002 0.000 0.763 479 L CB -0.188 41.815 42.059 -0.094 0.000 0.908 479 L HN 0.116 nan 8.230 nan 0.000 0.437 480 Q N 0.339 120.171 119.800 0.054 0.000 2.230 480 Q HA -0.100 4.255 4.340 0.025 0.000 0.202 480 Q C 2.139 178.237 176.000 0.162 0.000 0.963 480 Q CA 1.589 57.462 55.803 0.116 0.000 0.866 480 Q CB -0.103 28.679 28.738 0.073 0.000 0.931 480 Q HN 0.409 nan 8.270 nan 0.000 0.452 481 A N 0.529 123.423 122.820 0.123 0.000 1.865 481 A HA -0.179 4.156 4.320 0.025 0.000 0.217 481 A C 2.116 179.790 177.584 0.151 0.000 1.191 481 A CA 1.665 53.792 52.037 0.149 0.000 0.623 481 A CB -0.867 18.208 19.000 0.124 0.000 0.826 481 A HN 0.472 nan 8.150 nan 0.000 0.444 482 I N -2.016 118.617 120.570 0.106 0.000 2.208 482 I HA -0.295 3.890 4.170 0.025 0.000 0.245 482 I C 2.490 178.632 176.117 0.043 0.000 1.097 482 I CA 1.895 63.227 61.300 0.053 0.000 1.363 482 I CB -0.445 37.585 38.000 0.050 0.000 1.051 482 I HN 0.532 nan 8.210 nan 0.000 0.413 483 Y N 1.592 121.882 120.300 -0.016 0.000 2.128 483 Y HA -0.241 4.323 4.550 0.024 0.000 0.284 483 Y C 2.312 178.203 175.900 -0.014 0.000 1.154 483 Y CA 1.576 59.659 58.100 -0.028 0.000 1.149 483 Y CB -0.383 38.068 38.460 -0.015 0.000 0.976 483 Y HN 0.028 nan 8.280 nan 0.000 0.505 484 L N -0.671 120.550 121.223 -0.004 0.000 2.083 484 L HA -0.236 4.119 4.340 0.025 0.000 0.209 484 L C 2.740 179.576 176.870 -0.055 0.000 1.083 484 L CA 1.164 56.015 54.840 0.018 0.000 0.752 484 L CB -0.986 41.230 42.059 0.262 0.000 0.899 484 L HN 0.318 nan 8.230 nan 0.000 0.433 485 A N 0.095 122.825 122.820 -0.151 0.000 1.902 485 A HA -0.161 4.174 4.320 0.025 0.000 0.217 485 A C 2.240 179.357 177.584 -0.778 0.000 1.181 485 A CA 1.383 53.034 52.037 -0.643 0.000 0.623 485 A CB -0.627 18.056 19.000 -0.528 0.000 0.818 485 A HN 0.352 nan 8.150 nan 0.000 0.443 486 L N -0.914 120.017 121.223 -0.487 0.000 2.056 486 L HA -0.234 4.121 4.340 0.025 0.000 0.207 486 L C 2.915 179.556 176.870 -0.383 0.000 1.078 486 L CA 1.462 56.052 54.840 -0.417 0.000 0.749 486 L CB -0.519 41.360 42.059 -0.301 0.000 0.901 486 L HN 0.476 nan 8.230 nan 0.000 0.433 487 Q N -0.214 119.335 119.800 -0.419 0.000 2.050 487 Q HA -0.193 4.162 4.340 0.025 0.000 0.202 487 Q C 1.179 177.071 176.000 -0.180 0.000 0.980 487 Q CA 1.453 57.065 55.803 -0.320 0.000 0.840 487 Q CB -0.020 28.502 28.738 -0.360 0.000 0.898 487 Q HN 0.493 nan 8.270 nan 0.000 0.424 488 D N 0.187 120.496 120.400 -0.152 0.000 2.340 488 D HA 0.008 4.663 4.640 0.025 0.000 0.220 488 D C 0.345 176.651 176.300 0.010 0.000 1.039 488 D CA 0.229 54.224 54.000 -0.009 0.000 0.866 488 D CB 0.209 41.116 40.800 0.178 0.000 0.913 488 D HN 0.117 nan 8.370 nan 0.000 0.523 489 S N -0.889 114.699 115.700 -0.188 0.000 2.690 489 S HA 0.685 5.170 4.470 0.025 0.000 0.291 489 S C 0.876 175.439 174.600 -0.063 0.000 1.138 489 S CA -0.731 57.395 58.200 -0.122 0.000 1.013 489 S CB 2.050 64.919 63.200 -0.551 0.000 1.053 489 S HN 0.049 nan 8.310 nan 0.000 0.539 490 G N -0.146 108.655 108.800 0.002 0.000 2.447 490 G HA2 0.307 4.282 3.960 0.025 0.000 0.269 490 G HA3 0.307 4.282 3.960 0.025 0.000 0.269 490 G C 0.647 175.530 174.900 -0.027 0.000 1.455 490 G CA -0.686 44.413 45.100 -0.001 0.000 1.061 490 G HN 0.708 nan 8.290 nan 0.000 0.545 491 L N -0.589 120.628 121.223 -0.010 0.000 2.291 491 L HA 0.146 4.501 4.340 0.025 0.000 0.214 491 L C 0.884 177.748 176.870 -0.009 0.000 1.120 491 L CA 0.897 55.731 54.840 -0.010 0.000 0.799 491 L CB -0.222 41.840 42.059 0.004 0.000 0.925 491 L HN 0.419 nan 8.230 nan 0.000 0.446 492 E N -0.501 119.698 120.200 -0.003 0.000 2.222 492 E HA 0.558 4.923 4.350 0.025 0.000 0.267 492 E C -1.276 175.324 176.600 0.000 0.000 0.884 492 E CA -0.320 56.084 56.400 0.006 0.000 0.764 492 E CB 3.336 33.048 29.700 0.021 0.000 1.169 492 E HN -0.191 nan 8.360 nan 0.000 0.413 493 V N 2.822 122.731 119.914 -0.009 0.000 3.048 493 V HA 0.397 4.532 4.120 0.025 0.000 0.303 493 V C -1.791 174.314 176.094 0.019 0.000 1.214 493 V CA -0.713 61.574 62.300 -0.021 0.000 0.984 493 V CB 2.413 34.119 31.823 -0.196 0.000 1.054 493 V HN 0.665 nan 8.190 nan 0.000 0.430 494 N N 4.901 123.641 118.700 0.066 0.000 2.362 494 N HA 0.672 5.427 4.740 0.025 0.000 0.298 494 N C -1.236 174.286 175.510 0.020 0.000 1.048 494 N CA -0.232 52.878 53.050 0.100 0.000 0.858 494 N CB 2.332 40.898 38.487 0.133 0.000 1.218 494 N HN 0.614 nan 8.380 nan 0.000 0.488 495 I N 1.641 122.184 120.570 -0.044 0.000 2.512 495 I HA 0.258 4.443 4.170 0.025 0.000 0.287 495 I C -0.626 175.413 176.117 -0.129 0.000 1.069 495 I CA -0.882 60.365 61.300 -0.089 0.000 1.056 495 I CB 2.187 40.118 38.000 -0.115 0.000 1.229 495 I HN -0.008 nan 8.210 nan 0.000 0.429 496 V N 4.608 124.411 119.914 -0.186 0.000 2.427 496 V HA 0.627 4.762 4.120 0.025 0.000 0.286 496 V C 0.049 176.091 176.094 -0.087 0.000 1.034 496 V CA -0.276 61.904 62.300 -0.200 0.000 0.893 496 V CB 1.646 33.215 31.823 -0.423 0.000 0.982 496 V HN 0.809 nan 8.190 nan 0.000 0.452 497 T N 1.551 116.067 114.554 -0.064 0.000 2.923 497 T HA 0.386 4.751 4.350 0.025 0.000 0.311 497 T C -0.368 174.270 174.700 -0.104 0.000 1.183 497 T CA -0.383 61.706 62.100 -0.019 0.000 1.020 497 T CB 1.770 70.673 68.868 0.058 0.000 1.165 497 T HN 0.881 nan 8.240 nan 0.000 0.482 498 D N 1.545 121.881 120.400 -0.106 0.000 2.388 498 D HA 0.218 4.873 4.640 0.025 0.000 0.221 498 D C 0.508 176.903 176.300 0.159 0.000 1.133 498 D CA -0.243 53.625 54.000 -0.220 0.000 0.831 498 D CB 0.258 40.920 40.800 -0.230 0.000 0.962 498 D HN 0.274 nan 8.370 nan 0.000 0.502 499 S N 0.262 116.110 115.700 0.247 0.000 2.505 499 S HA 0.017 4.502 4.470 0.025 0.000 0.276 499 S C 1.248 176.062 174.600 0.356 0.000 1.274 499 S CA -0.457 57.904 58.200 0.268 0.000 1.053 499 S CB 0.812 64.124 63.200 0.186 0.000 0.919 499 S HN 0.087 nan 8.310 nan 0.000 0.490 500 Q N 3.582 123.534 119.800 0.254 0.000 2.170 500 Q HA -0.144 4.211 4.340 0.025 0.000 0.203 500 Q C 1.236 177.226 176.000 -0.016 0.000 0.976 500 Q CA 1.617 57.459 55.803 0.065 0.000 0.858 500 Q CB -0.339 28.429 28.738 0.050 0.000 0.907 500 Q HN 0.984 nan 8.270 nan 0.000 0.433 501 Y N 0.546 120.831 120.300 -0.026 0.000 2.439 501 Y HA -0.079 4.485 4.550 0.024 0.000 0.292 501 Y C 2.075 177.940 175.900 -0.058 0.000 1.130 501 Y CA 0.929 58.999 58.100 -0.051 0.000 1.254 501 Y CB 0.120 38.574 38.460 -0.010 0.000 1.000 501 Y HN 0.114 nan 8.280 nan 0.000 0.554 502 A N -0.506 122.416 122.820 0.170 0.000 2.014 502 A HA -0.117 4.218 4.320 0.025 0.000 0.218 502 A C 1.958 179.526 177.584 -0.027 0.000 1.163 502 A CA 1.170 53.277 52.037 0.117 0.000 0.652 502 A CB -0.819 18.276 19.000 0.159 0.000 0.808 502 A HN 0.482 nan 8.150 nan 0.000 0.449 503 L N 0.058 121.187 121.223 -0.156 0.000 2.131 503 L HA -0.015 4.340 4.340 0.025 0.000 0.210 503 L C 2.275 178.954 176.870 -0.319 0.000 1.092 503 L CA 2.030 56.662 54.840 -0.347 0.000 0.759 503 L CB -0.775 40.846 42.059 -0.731 0.000 0.903 503 L HN 0.300 nan 8.230 nan 0.000 0.435 504 G N -0.926 107.664 108.800 -0.349 0.000 2.430 504 G HA2 -0.146 3.829 3.960 0.025 0.000 0.216 504 G HA3 -0.146 3.829 3.960 0.025 0.000 0.216 504 G C 1.615 176.333 174.900 -0.303 0.000 1.146 504 G CA 0.693 45.538 45.100 -0.423 0.000 0.793 504 G HN 0.431 nan 8.290 nan 0.000 0.537 505 I N 0.594 121.050 120.570 -0.190 0.000 2.394 505 I HA -0.080 4.105 4.170 0.025 0.000 0.251 505 I C 2.496 178.628 176.117 0.024 0.000 1.136 505 I CA 0.656 61.943 61.300 -0.022 0.000 1.425 505 I CB -0.059 37.991 38.000 0.083 0.000 1.079 505 I HN 0.150 nan 8.210 nan 0.000 0.425 506 I N 0.068 120.617 120.570 -0.035 0.000 2.252 506 I HA -0.292 3.893 4.170 0.025 0.000 0.245 506 I C 2.624 178.728 176.117 -0.022 0.000 1.102 506 I CA 1.318 62.606 61.300 -0.020 0.000 1.385 506 I CB -0.350 37.612 38.000 -0.064 0.000 1.064 506 I HN 0.334 nan 8.210 nan 0.000 0.414 507 Q N 0.921 120.664 119.800 -0.095 0.000 2.049 507 Q HA -0.145 4.210 4.340 0.025 0.000 0.198 507 Q C 2.175 178.180 176.000 0.007 0.000 0.971 507 Q CA 1.799 57.535 55.803 -0.112 0.000 0.833 507 Q CB 0.020 28.587 28.738 -0.284 0.000 0.896 507 Q HN 0.518 nan 8.270 nan 0.000 0.434 508 A N -0.351 122.497 122.820 0.048 0.000 2.115 508 A HA 0.044 4.379 4.320 0.025 0.000 0.211 508 A C 0.256 178.052 177.584 0.354 0.000 1.169 508 A CA 0.136 52.348 52.037 0.293 0.000 0.787 508 A CB 0.170 19.324 19.000 0.257 0.000 0.858 508 A HN 0.509 nan 8.150 nan 0.000 0.474 509 Q N -0.098 119.845 119.800 0.239 0.000 2.437 509 Q HA -0.128 4.227 4.340 0.025 0.000 0.354 509 Q C -2.276 173.883 176.000 0.265 0.000 1.402 509 Q CA 0.364 56.331 55.803 0.272 0.000 1.020 509 Q CB -1.512 27.312 28.738 0.144 0.000 1.220 509 Q HN 0.588 nan 8.270 nan 0.000 0.368 510 P HA -0.010 nan 4.420 nan 0.000 0.275 510 P C -0.190 177.314 177.300 0.340 0.000 1.228 510 P CA 0.231 63.516 63.100 0.309 0.000 0.786 510 P CB 0.838 32.715 31.700 0.296 0.000 0.927 511 D N 0.408 120.955 120.400 0.245 0.000 2.431 511 D HA 0.043 4.698 4.640 0.025 0.000 0.213 511 D C 0.307 176.634 176.300 0.045 0.000 1.130 511 D CA 0.079 54.191 54.000 0.187 0.000 0.834 511 D CB 0.212 41.098 40.800 0.143 0.000 0.985 511 D HN 0.532 nan 8.370 nan 0.000 0.504 512 Q N -1.770 118.090 119.800 0.101 0.000 2.472 512 Q HA 0.619 4.974 4.340 0.025 0.000 0.281 512 Q C -1.419 174.654 176.000 0.122 0.000 0.997 512 Q CA -1.015 54.823 55.803 0.059 0.000 0.828 512 Q CB 1.915 30.666 28.738 0.022 0.000 1.443 512 Q HN -0.029 nan 8.270 nan 0.000 0.390 513 S N -0.584 115.171 115.700 0.092 0.000 2.636 513 S HA 0.219 4.704 4.470 0.025 0.000 0.268 513 S C -0.238 174.402 174.600 0.066 0.000 1.159 513 S CA 0.146 58.421 58.200 0.125 0.000 0.815 513 S CB 1.576 64.882 63.200 0.177 0.000 1.130 513 S HN 0.852 nan 8.310 nan 0.000 0.471 514 E N 0.810 121.050 120.200 0.067 0.000 2.033 514 E HA 0.123 4.488 4.350 0.025 0.000 0.189 514 E C 0.753 177.364 176.600 0.019 0.000 0.979 514 E CA 0.709 57.127 56.400 0.030 0.000 0.802 514 E CB -0.496 29.219 29.700 0.024 0.000 0.763 514 E HN 0.410 nan 8.360 nan 0.000 0.449 515 S N 1.107 116.824 115.700 0.028 0.000 2.629 515 S HA -0.110 4.375 4.470 0.025 0.000 0.302 515 S C 0.927 175.503 174.600 -0.039 0.000 1.244 515 S CA -0.145 58.043 58.200 -0.020 0.000 1.098 515 S CB 0.456 63.621 63.200 -0.059 0.000 0.858 515 S HN 0.331 nan 8.310 nan 0.000 0.502 516 E N 3.741 123.906 120.200 -0.059 0.000 2.268 516 E HA -0.093 4.272 4.350 0.025 0.000 0.195 516 E C 1.628 178.156 176.600 -0.120 0.000 0.995 516 E CA 0.567 56.922 56.400 -0.076 0.000 0.836 516 E CB 0.014 29.670 29.700 -0.074 0.000 0.763 516 E HN 0.829 nan 8.360 nan 0.000 0.491 517 L N 0.214 121.352 121.223 -0.141 0.000 2.027 517 L HA -0.161 4.194 4.340 0.025 0.000 0.206 517 L C 2.388 179.157 176.870 -0.169 0.000 1.074 517 L CA 0.792 55.510 54.840 -0.204 0.000 0.745 517 L CB -0.145 41.802 42.059 -0.186 0.000 0.898 517 L HN 0.014 nan 8.230 nan 0.000 0.433 518 V N 0.516 120.363 119.914 -0.112 0.000 2.392 518 V HA -0.301 3.834 4.120 0.025 0.000 0.249 518 V C 2.192 178.281 176.094 -0.008 0.000 1.059 518 V CA 1.870 64.147 62.300 -0.039 0.000 1.051 518 V CB -0.849 30.985 31.823 0.019 0.000 0.658 518 V HN 0.535 nan 8.190 nan 0.000 0.455 519 N N 0.135 118.818 118.700 -0.028 0.000 2.223 519 N HA -0.180 4.575 4.740 0.025 0.000 0.185 519 N C 1.904 177.388 175.510 -0.042 0.000 1.016 519 N CA 1.314 54.348 53.050 -0.027 0.000 0.863 519 N CB -0.305 38.157 38.487 -0.042 0.000 0.983 519 N HN 0.629 nan 8.380 nan 0.000 0.429 520 Q N 0.243 119.984 119.800 -0.099 0.000 2.123 520 Q HA 0.059 4.414 4.340 0.025 0.000 0.199 520 Q C 2.092 178.144 176.000 0.087 0.000 0.966 520 Q CA 0.724 56.466 55.803 -0.102 0.000 0.845 520 Q CB 0.004 28.464 28.738 -0.463 0.000 0.907 520 Q HN 0.397 nan 8.270 nan 0.000 0.439 521 I N 0.662 121.270 120.570 0.063 0.000 2.226 521 I HA -0.279 3.906 4.170 0.025 0.000 0.245 521 I C 2.197 178.329 176.117 0.026 0.000 1.100 521 I CA 1.136 62.523 61.300 0.146 0.000 1.374 521 I CB -0.246 37.804 38.000 0.085 0.000 1.057 521 I HN 0.203 nan 8.210 nan 0.000 0.413 522 I N 0.512 121.081 120.570 -0.001 0.000 2.226 522 I HA -0.259 3.926 4.170 0.025 0.000 0.245 522 I C 2.505 178.600 176.117 -0.036 0.000 1.100 522 I CA 1.217 62.493 61.300 -0.041 0.000 1.374 522 I CB -0.382 37.645 38.000 0.045 0.000 1.057 522 I HN 0.243 nan 8.210 nan 0.000 0.413 523 E N 0.427 120.630 120.200 0.005 0.000 2.150 523 E HA -0.202 4.163 4.350 0.025 0.000 0.193 523 E C 2.173 178.787 176.600 0.023 0.000 0.985 523 E CA 0.940 57.352 56.400 0.020 0.000 0.814 523 E CB -0.243 29.475 29.700 0.030 0.000 0.752 523 E HN 0.511 nan 8.360 nan 0.000 0.466 524 Q N 0.391 120.206 119.800 0.026 0.000 2.083 524 Q HA 0.011 4.366 4.340 0.025 0.000 0.198 524 Q C 2.582 178.533 176.000 -0.082 0.000 0.969 524 Q CA 0.548 56.335 55.803 -0.027 0.000 0.838 524 Q CB -0.359 28.347 28.738 -0.054 0.000 0.900 524 Q HN 0.327 nan 8.270 nan 0.000 0.436 525 L N 0.249 121.382 121.223 -0.150 0.000 2.043 525 L HA -0.207 4.148 4.340 0.025 0.000 0.212 525 L C 2.371 179.141 176.870 -0.167 0.000 1.075 525 L CA 1.067 55.739 54.840 -0.280 0.000 0.752 525 L CB -0.492 41.172 42.059 -0.659 0.000 0.891 525 L HN 0.192 nan 8.230 nan 0.000 0.432 526 I N -0.480 120.058 120.570 -0.054 0.000 2.394 526 I HA -0.264 3.921 4.170 0.025 0.000 0.251 526 I C 2.407 178.591 176.117 0.112 0.000 1.136 526 I CA 1.197 62.583 61.300 0.144 0.000 1.425 526 I CB -0.253 37.895 38.000 0.247 0.000 1.079 526 I HN 0.232 nan 8.210 nan 0.000 0.425 527 K N 0.671 121.102 120.400 0.051 0.000 2.288 527 K HA -0.036 4.299 4.320 0.025 0.000 0.201 527 K C 0.590 177.203 176.600 0.022 0.000 1.048 527 K CA 0.555 56.865 56.287 0.039 0.000 0.956 527 K CB 0.077 32.586 32.500 0.014 0.000 0.746 527 K HN 0.183 nan 8.250 nan 0.000 0.461 528 K N 1.060 121.462 120.400 0.004 0.000 2.168 528 K HA 0.010 4.345 4.320 0.025 0.000 0.258 528 K C 0.837 177.456 176.600 0.030 0.000 1.010 528 K CA 0.235 56.521 56.287 -0.001 0.000 0.929 528 K CB 1.092 33.574 32.500 -0.030 0.000 0.998 528 K HN 0.014 nan 8.250 nan 0.000 0.479 529 E N 0.906 121.121 120.200 0.025 0.000 2.140 529 E HA -0.014 4.351 4.350 0.025 0.000 0.191 529 E C -0.447 176.180 176.600 0.045 0.000 0.973 529 E CA 1.041 57.463 56.400 0.036 0.000 0.829 529 E CB 0.487 30.203 29.700 0.026 0.000 0.781 529 E HN 0.281 nan 8.360 nan 0.000 0.466 530 K N -0.136 120.287 120.400 0.038 0.000 2.550 530 K HA 0.413 4.748 4.320 0.025 0.000 0.252 530 K C -1.876 174.753 176.600 0.047 0.000 0.943 530 K CA -0.566 55.753 56.287 0.053 0.000 0.806 530 K CB 2.890 35.418 32.500 0.047 0.000 1.289 530 K HN -0.192 nan 8.250 nan 0.000 0.435 531 V N 3.011 122.969 119.914 0.073 0.000 2.686 531 V HA 0.361 4.496 4.120 0.025 0.000 0.306 531 V C -1.640 174.535 176.094 0.135 0.000 1.065 531 V CA -0.924 61.410 62.300 0.056 0.000 0.894 531 V CB 1.701 33.519 31.823 -0.009 0.000 1.004 531 V HN 0.720 nan 8.190 nan 0.000 0.424 532 Y N 5.131 125.427 120.300 -0.008 0.000 2.326 532 Y HA 0.689 5.253 4.550 0.024 0.000 0.329 532 Y C -1.012 174.885 175.900 -0.005 0.000 0.973 532 Y CA -0.850 57.253 58.100 0.006 0.000 1.162 532 Y CB 1.613 40.074 38.460 0.003 0.000 1.147 532 Y HN 0.623 nan 8.280 nan 0.000 0.456 533 L N 6.168 127.072 121.223 -0.531 0.000 2.272 533 L HA 0.831 5.187 4.340 0.025 0.000 0.289 533 L C -0.704 175.831 176.870 -0.557 0.000 1.032 533 L CA -0.625 53.978 54.840 -0.394 0.000 0.810 533 L CB 0.853 42.801 42.059 -0.185 0.000 1.205 533 L HN 0.861 nan 8.230 nan 0.000 0.422 534 A N 4.603 127.216 122.820 -0.346 0.000 2.343 534 A HA 0.438 4.773 4.320 0.025 0.000 0.316 534 A C -1.735 175.844 177.584 -0.008 0.000 1.104 534 A CA -0.448 51.470 52.037 -0.198 0.000 0.768 534 A CB 0.855 19.786 19.000 -0.114 0.000 1.213 534 A HN 0.778 nan 8.150 nan 0.000 0.456 535 W N 3.483 124.720 121.300 -0.105 0.000 2.496 535 W HA 0.588 5.262 4.660 0.025 0.000 0.327 535 W C -0.669 175.832 176.519 -0.029 0.000 1.086 535 W CA -0.278 57.031 57.345 -0.061 0.000 1.222 535 W CB 1.683 31.107 29.460 -0.060 0.000 1.304 535 W HN 0.858 nan 8.180 nan 0.000 0.547 536 V N 3.549 122.775 119.914 -1.147 0.000 2.925 536 V HA 0.669 4.804 4.120 0.025 0.000 0.311 536 V C -2.712 172.443 176.094 -1.565 0.000 1.104 536 V CA -3.176 58.479 62.300 -1.074 0.000 0.954 536 V CB 1.479 33.029 31.823 -0.456 0.000 1.022 536 V HN 0.505 nan 8.190 nan 0.000 0.427 537 P HA 0.331 nan 4.420 nan 0.000 0.266 537 P C -0.024 177.058 177.300 -0.364 0.000 1.195 537 P CA 0.636 63.362 63.100 -0.624 0.000 0.768 537 P CB 0.510 32.069 31.700 -0.236 0.000 0.838 538 A N 3.065 125.761 122.820 -0.207 0.000 2.249 538 A HA 0.288 4.623 4.320 0.025 0.000 0.281 538 A C 0.457 177.962 177.584 -0.131 0.000 1.127 538 A CA -0.212 51.682 52.037 -0.239 0.000 0.833 538 A CB -0.541 18.269 19.000 -0.316 0.000 1.140 538 A HN 0.771 nan 8.150 nan 0.000 0.502 539 H N -2.071 116.985 119.070 -0.024 0.000 2.845 539 H HA -0.144 4.427 4.556 0.025 0.000 0.296 539 H C 0.044 175.359 175.328 -0.021 0.000 1.116 539 H CA 1.568 57.607 56.048 -0.014 0.000 1.162 539 H CB -1.364 28.398 29.762 0.001 0.000 1.338 539 H HN 0.535 nan 8.280 nan 0.000 0.370 540 K N -0.245 120.168 120.400 0.023 0.000 2.240 540 K HA 0.501 4.836 4.320 0.025 0.000 0.237 540 K C 1.366 177.964 176.600 -0.004 0.000 1.027 540 K CA 0.255 56.544 56.287 0.004 0.000 0.937 540 K CB 0.691 33.167 32.500 -0.039 0.000 1.171 540 K HN 0.194 nan 8.250 nan 0.000 0.479 541 G N 0.912 109.707 108.800 -0.008 0.000 3.471 541 G HA2 0.235 4.210 3.960 0.025 0.000 0.254 541 G HA3 0.235 4.210 3.960 0.025 0.000 0.254 541 G C -0.232 174.654 174.900 -0.025 0.000 1.199 541 G CA 0.077 45.169 45.100 -0.012 0.000 1.683 541 G HN 0.300 nan 8.290 nan 0.000 0.625 542 I N -0.644 119.906 120.570 -0.032 0.000 2.982 542 I HA 0.847 5.032 4.170 0.025 0.000 0.312 542 I C 0.755 176.851 176.117 -0.035 0.000 1.041 542 I CA -0.566 60.715 61.300 -0.033 0.000 1.053 542 I CB 2.142 40.116 38.000 -0.043 0.000 1.248 542 I HN 0.351 nan 8.210 nan 0.000 0.471 543 G N 0.000 108.785 108.800 -0.025 0.000 5.446 543 G HA2 0.000 3.975 3.960 0.025 0.000 0.244 543 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 543 G CA 0.000 45.063 45.100 -0.061 0.000 0.502 543 G HN 0.000 nan 8.290 nan 0.000 0.925