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 1s9g_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFWEVQL GIPHPAGLKK DATA SEQUENCE KKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFK KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPDKKHQ KEPPFLWMGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLSKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWY 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.643 174.600 0.072 0.000 1.055 3 S CA 0.000 58.240 58.200 0.067 0.000 1.107 3 S CB 0.000 63.247 63.200 0.079 0.000 0.593 4 P HA 0.339 nan 4.420 nan 0.000 0.263 4 P C -0.427 176.914 177.300 0.067 0.000 1.195 4 P CA 0.060 63.199 63.100 0.066 0.000 0.762 4 P CB 0.321 32.054 31.700 0.055 0.000 0.799 5 I N 1.016 121.633 120.570 0.078 0.000 2.793 5 I HA 0.259 4.429 4.170 -0.000 0.000 0.313 5 I C 0.810 176.969 176.117 0.071 0.000 0.998 5 I CA -1.102 60.243 61.300 0.075 0.000 1.140 5 I CB 1.394 39.450 38.000 0.093 0.000 1.327 5 I HN 0.349 nan 8.210 nan 0.000 0.491 6 E N 2.383 122.619 120.200 0.060 0.000 2.316 6 E HA 0.101 4.451 4.350 -0.000 0.000 0.275 6 E C -0.292 176.352 176.600 0.073 0.000 1.029 6 E CA -0.427 56.008 56.400 0.058 0.000 0.871 6 E CB 0.824 30.550 29.700 0.043 0.000 1.022 6 E HN 0.637 nan 8.360 nan 0.000 0.418 7 T N 0.540 115.144 114.554 0.083 0.000 2.868 7 T HA 0.270 4.620 4.350 -0.000 0.000 0.292 7 T C -0.076 174.687 174.700 0.106 0.000 1.028 7 T CA -0.891 61.272 62.100 0.106 0.000 1.059 7 T CB 1.098 70.033 68.868 0.112 0.000 0.991 7 T HN 0.160 nan 8.240 nan 0.000 0.531 8 V N 4.588 124.584 119.914 0.136 0.000 2.328 8 V HA 0.341 4.461 4.120 -0.000 0.000 0.278 8 V C -2.168 174.056 176.094 0.217 0.000 1.021 8 V CA -1.953 60.436 62.300 0.149 0.000 0.838 8 V CB 0.794 32.705 31.823 0.147 0.000 0.999 8 V HN 0.851 nan 8.190 nan 0.000 0.447 9 P HA 0.013 nan 4.420 nan 0.000 0.258 9 P C -0.641 176.845 177.300 0.310 0.000 1.172 9 P CA 0.453 63.674 63.100 0.202 0.000 0.762 9 P CB 0.284 32.078 31.700 0.157 0.000 0.764 10 V N 5.040 125.052 119.914 0.163 0.000 2.384 10 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 10 V C 0.180 176.302 176.094 0.047 0.000 1.020 10 V CA -0.399 61.854 62.300 -0.077 0.000 0.850 10 V CB 1.556 32.831 31.823 -0.914 0.000 0.987 10 V HN 0.303 nan 8.190 nan 0.000 0.436 11 K N 4.155 124.620 120.400 0.107 0.000 2.502 11 K HA 0.683 5.002 4.320 -0.000 0.000 0.254 11 K C -0.897 175.742 176.600 0.066 0.000 0.947 11 K CA -0.508 55.860 56.287 0.136 0.000 0.834 11 K CB 1.450 34.065 32.500 0.192 0.000 1.112 11 K HN 0.466 nan 8.250 nan 0.000 0.427 12 L N 1.736 122.935 121.223 -0.041 0.000 2.476 12 L HA 0.247 4.587 4.340 -0.000 0.000 0.264 12 L C 0.849 177.623 176.870 -0.159 0.000 1.224 12 L CA -0.009 54.730 54.840 -0.168 0.000 0.821 12 L CB 0.028 41.898 42.059 -0.315 0.000 1.101 12 L HN 0.516 nan 8.230 nan 0.000 0.488 13 K N 1.677 121.806 120.400 -0.452 0.000 2.484 13 K HA 0.096 4.416 4.320 -0.000 0.000 0.280 13 K C -2.305 174.148 176.600 -0.245 0.000 1.013 13 K CA -1.075 54.796 56.287 -0.693 0.000 1.029 13 K CB 0.326 31.942 32.500 -1.473 0.000 0.902 13 K HN 0.288 nan 8.250 nan 0.000 0.481 14 P HA -0.027 nan 4.420 nan 0.000 0.269 14 P C 0.048 177.325 177.300 -0.038 0.000 1.211 14 P CA 0.862 63.959 63.100 -0.005 0.000 0.781 14 P CB 0.424 32.161 31.700 0.062 0.000 0.877 15 G N -0.026 108.762 108.800 -0.020 0.000 2.179 15 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 15 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 15 G C -0.135 174.736 174.900 -0.049 0.000 1.010 15 G CA 0.188 45.276 45.100 -0.021 0.000 0.736 15 G HN 0.496 nan 8.290 nan 0.000 0.513 16 M N 0.582 120.134 119.600 -0.079 0.000 2.204 16 M HA 0.594 5.074 4.480 -0.000 0.000 0.293 16 M C -0.873 175.363 176.300 -0.106 0.000 0.994 16 M CA -0.919 54.312 55.300 -0.115 0.000 0.925 16 M CB 1.827 34.306 32.600 -0.202 0.000 1.577 16 M HN 0.125 nan 8.290 nan 0.000 0.439 17 D N 2.214 122.582 120.400 -0.052 0.000 2.326 17 D HA 0.678 5.318 4.640 -0.000 0.000 0.251 17 D C 0.224 176.493 176.300 -0.052 0.000 1.023 17 D CA 0.024 54.038 54.000 0.024 0.000 0.966 17 D CB 1.563 42.450 40.800 0.145 0.000 1.156 17 D HN 0.742 nan 8.370 nan 0.000 0.494 18 G N 0.886 109.649 108.800 -0.061 0.000 2.732 18 G HA2 0.223 4.183 3.960 -0.000 0.000 0.244 18 G HA3 0.223 4.183 3.960 -0.000 0.000 0.244 18 G C -2.154 172.817 174.900 0.119 0.000 1.226 18 G CA -0.770 44.155 45.100 -0.291 0.000 0.860 18 G HN 0.461 nan 8.290 nan 0.000 0.583 19 P HA 0.211 nan 4.420 nan 0.000 0.271 19 P C -0.849 176.588 177.300 0.228 0.000 1.216 19 P CA 0.076 63.251 63.100 0.125 0.000 0.776 19 P CB 0.981 32.734 31.700 0.088 0.000 0.881 20 K N 1.827 122.307 120.400 0.133 0.000 3.207 20 K HA 0.304 4.624 4.320 -0.000 0.000 0.166 20 K C -0.695 175.931 176.600 0.044 0.000 1.079 20 K CA -0.445 55.890 56.287 0.079 0.000 0.818 20 K CB 1.082 33.597 32.500 0.024 0.000 0.967 20 K HN 0.215 nan 8.250 nan 0.000 0.594 21 V N 1.181 121.131 119.914 0.060 0.000 2.617 21 V HA 0.329 4.449 4.120 -0.000 0.000 0.298 21 V C 0.238 176.343 176.094 0.018 0.000 1.048 21 V CA -0.921 61.409 62.300 0.050 0.000 0.964 21 V CB 1.374 33.250 31.823 0.088 0.000 1.004 21 V HN 0.230 nan 8.190 nan 0.000 0.466 22 K N 2.307 122.693 120.400 -0.023 0.000 2.201 22 K HA 0.365 4.685 4.320 -0.000 0.000 0.278 22 K C -0.193 176.334 176.600 -0.122 0.000 1.027 22 K CA -0.671 55.562 56.287 -0.090 0.000 0.909 22 K CB 1.197 33.606 32.500 -0.151 0.000 1.062 22 K HN 0.717 nan 8.250 nan 0.000 0.465 23 Q N 2.302 122.037 119.800 -0.109 0.000 2.255 23 Q HA -0.018 4.322 4.340 -0.000 0.000 0.280 23 Q C -0.990 174.904 176.000 -0.178 0.000 1.068 23 Q CA 0.350 56.088 55.803 -0.109 0.000 0.911 23 Q CB 0.223 28.906 28.738 -0.092 0.000 1.157 23 Q HN 0.315 nan 8.270 nan 0.000 0.380 24 W N 6.430 127.639 121.300 -0.151 0.000 2.158 24 W HA 0.209 4.869 4.660 -0.000 0.000 0.339 24 W C -1.629 174.820 176.519 -0.115 0.000 1.294 24 W CA -1.246 56.052 57.345 -0.078 0.000 1.231 24 W CB 0.241 29.709 29.460 0.013 0.000 1.143 24 W HN 0.599 nan 8.180 nan 0.000 0.571 25 P HA 0.221 nan 4.420 nan 0.000 0.275 25 P C -0.931 176.393 177.300 0.040 0.000 1.227 25 P CA 0.139 63.253 63.100 0.023 0.000 0.781 25 P CB 1.105 32.803 31.700 -0.002 0.000 0.906 26 L N 1.017 122.220 121.223 -0.034 0.000 2.286 26 L HA 0.473 4.813 4.340 -0.000 0.000 0.265 26 L C 1.000 177.815 176.870 -0.092 0.000 1.012 26 L CA -0.925 53.870 54.840 -0.075 0.000 0.818 26 L CB 1.399 43.389 42.059 -0.116 0.000 1.337 26 L HN 0.254 nan 8.230 nan 0.000 0.438 27 T N -0.322 114.157 114.554 -0.124 0.000 2.898 27 T HA -0.030 4.320 4.350 -0.000 0.000 0.301 27 T C 1.071 175.704 174.700 -0.112 0.000 1.049 27 T CA -0.037 61.996 62.100 -0.111 0.000 1.095 27 T CB 1.112 69.907 68.868 -0.122 0.000 0.976 27 T HN 0.712 nan 8.240 nan 0.000 0.539 28 E N 1.529 121.682 120.200 -0.078 0.000 2.110 28 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 28 E C 1.933 178.469 176.600 -0.107 0.000 0.988 28 E CA 1.477 57.832 56.400 -0.076 0.000 0.804 28 E CB 0.037 29.711 29.700 -0.043 0.000 0.745 28 E HN 0.810 nan 8.360 nan 0.000 0.458 29 E N 0.591 120.731 120.200 -0.100 0.000 2.035 29 E HA -0.288 4.062 4.350 -0.000 0.000 0.204 29 E C 1.940 178.332 176.600 -0.347 0.000 1.025 29 E CA 2.015 58.342 56.400 -0.121 0.000 0.835 29 E CB 0.011 29.699 29.700 -0.020 0.000 0.764 29 E HN 0.131 nan 8.360 nan 0.000 0.457 30 K N -0.043 120.084 120.400 -0.456 0.000 2.063 30 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 30 K C 2.316 178.681 176.600 -0.393 0.000 1.048 30 K CA 1.136 57.050 56.287 -0.621 0.000 0.928 30 K CB -0.486 31.736 32.500 -0.463 0.000 0.713 30 K HN 0.241 nan 8.250 nan 0.000 0.442 31 I N 2.119 122.544 120.570 -0.240 0.000 2.127 31 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 31 I C 2.370 178.394 176.117 -0.155 0.000 1.075 31 I CA 1.582 62.788 61.300 -0.157 0.000 1.334 31 I CB -0.337 37.602 38.000 -0.102 0.000 1.040 31 I HN 0.126 nan 8.210 nan 0.000 0.405 32 K N 0.240 120.545 120.400 -0.158 0.000 2.059 32 K HA -0.274 4.046 4.320 -0.000 0.000 0.212 32 K C 2.197 178.713 176.600 -0.141 0.000 1.050 32 K CA 1.876 58.092 56.287 -0.118 0.000 0.927 32 K CB -0.498 31.948 32.500 -0.088 0.000 0.714 32 K HN 0.417 nan 8.250 nan 0.000 0.447 33 A N 1.445 124.093 122.820 -0.287 0.000 1.845 33 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 33 A C 2.195 179.665 177.584 -0.190 0.000 1.195 33 A CA 1.320 53.165 52.037 -0.321 0.000 0.616 33 A CB -0.770 17.681 19.000 -0.915 0.000 0.832 33 A HN 0.173 nan 8.150 nan 0.000 0.443 34 L N -0.223 120.873 121.223 -0.213 0.000 2.013 34 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 34 L C 2.541 179.393 176.870 -0.029 0.000 1.073 34 L CA 1.410 56.188 54.840 -0.102 0.000 0.753 34 L CB -0.887 41.121 42.059 -0.084 0.000 0.890 34 L HN 0.262 nan 8.230 nan 0.000 0.432 35 V N -0.157 119.743 119.914 -0.023 0.000 2.282 35 V HA -0.348 3.771 4.120 -0.000 0.000 0.249 35 V C 2.492 178.601 176.094 0.024 0.000 1.057 35 V CA 2.211 64.528 62.300 0.030 0.000 1.032 35 V CB -0.585 31.244 31.823 0.010 0.000 0.645 35 V HN 0.498 nan 8.190 nan 0.000 0.447 36 E N -0.064 120.134 120.200 -0.003 0.000 2.017 36 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 36 E C 2.242 178.842 176.600 0.001 0.000 0.997 36 E CA 1.808 58.213 56.400 0.008 0.000 0.804 36 E CB -0.190 29.520 29.700 0.016 0.000 0.757 36 E HN 0.576 nan 8.360 nan 0.000 0.448 37 I N 0.699 121.264 120.570 -0.008 0.000 2.113 37 I HA -0.427 3.743 4.170 -0.000 0.000 0.242 37 I C 2.695 178.769 176.117 -0.071 0.000 1.064 37 I CA 1.219 62.509 61.300 -0.017 0.000 1.320 37 I CB -0.427 37.565 38.000 -0.013 0.000 1.028 37 I HN 0.375 nan 8.210 nan 0.000 0.406 38 C N 0.305 119.545 119.300 -0.100 0.000 2.432 38 C HA -0.164 4.296 4.460 -0.000 0.000 0.277 38 C C 3.010 177.872 174.990 -0.212 0.000 1.249 38 C CA 1.621 60.482 59.018 -0.261 0.000 1.725 38 C CB -1.255 26.319 27.740 -0.277 0.000 2.028 38 C HN 0.548 nan 8.230 nan 0.000 0.477 39 T N 0.290 114.822 114.554 -0.037 0.000 2.737 39 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 39 T C 1.783 176.465 174.700 -0.029 0.000 1.040 39 T CA 1.557 63.665 62.100 0.013 0.000 1.142 39 T CB -0.292 68.598 68.868 0.036 0.000 0.861 39 T HN 0.594 nan 8.240 nan 0.000 0.456 40 E N 0.748 120.922 120.200 -0.042 0.000 2.072 40 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 40 E C 2.249 178.805 176.600 -0.072 0.000 0.982 40 E CA 0.803 57.181 56.400 -0.036 0.000 0.803 40 E CB -0.185 29.508 29.700 -0.013 0.000 0.755 40 E HN 0.553 nan 8.360 nan 0.000 0.453 41 M N 0.267 119.790 119.600 -0.129 0.000 2.213 41 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 41 M C 2.203 178.385 176.300 -0.197 0.000 1.062 41 M CA 1.221 56.404 55.300 -0.196 0.000 1.105 41 M CB -0.284 32.142 32.600 -0.291 0.000 1.385 41 M HN 0.042 nan 8.290 nan 0.000 0.417 42 E N 1.049 121.140 120.200 -0.181 0.000 2.110 42 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 42 E C 1.840 178.408 176.600 -0.052 0.000 0.988 42 E CA 1.172 57.509 56.400 -0.105 0.000 0.804 42 E CB 0.202 29.899 29.700 -0.005 0.000 0.745 42 E HN 0.474 nan 8.360 nan 0.000 0.458 43 K N 0.422 120.797 120.400 -0.043 0.000 1.984 43 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 43 K C 2.025 178.608 176.600 -0.028 0.000 1.046 43 K CA 1.503 57.777 56.287 -0.022 0.000 0.934 43 K CB -0.116 32.377 32.500 -0.012 0.000 0.717 43 K HN 0.112 nan 8.250 nan 0.000 0.438 44 E N -0.281 119.894 120.200 -0.043 0.000 2.455 44 E HA -0.113 4.236 4.350 -0.000 0.000 0.202 44 E C 0.878 177.448 176.600 -0.050 0.000 1.045 44 E CA 0.551 56.928 56.400 -0.039 0.000 0.872 44 E CB -0.092 29.579 29.700 -0.049 0.000 0.792 44 E HN 0.575 nan 8.360 nan 0.000 0.542 45 G N 1.063 109.825 108.800 -0.064 0.000 2.148 45 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.254 45 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.254 45 G C 0.801 175.646 174.900 -0.091 0.000 0.981 45 G CA 0.763 45.829 45.100 -0.056 0.000 0.670 45 G HN 0.279 nan 8.290 nan 0.000 0.528 46 K N -0.306 119.991 120.400 -0.171 0.000 2.025 46 K HA 0.144 4.464 4.320 -0.000 0.000 0.207 46 K C 1.615 178.047 176.600 -0.280 0.000 1.049 46 K CA 1.541 57.676 56.287 -0.254 0.000 0.933 46 K CB -0.006 32.206 32.500 -0.479 0.000 0.714 46 K HN 0.817 nan 8.250 nan 0.000 0.438 47 I N -2.741 117.624 120.570 -0.342 0.000 2.846 47 I HA 0.421 4.591 4.170 -0.000 0.000 0.307 47 I C -0.814 175.228 176.117 -0.125 0.000 1.053 47 I CA -0.831 60.263 61.300 -0.344 0.000 1.050 47 I CB 2.417 40.107 38.000 -0.516 0.000 1.239 47 I HN -0.270 nan 8.210 nan 0.000 0.439 48 S N 2.390 118.096 115.700 0.009 0.000 2.548 48 S HA 0.436 4.906 4.470 -0.000 0.000 0.286 48 S C -0.695 173.997 174.600 0.154 0.000 1.098 48 S CA -0.789 57.469 58.200 0.096 0.000 0.930 48 S CB 1.974 65.187 63.200 0.022 0.000 1.070 48 S HN 0.581 nan 8.310 nan 0.000 0.480 49 K N 2.305 122.761 120.400 0.093 0.000 2.382 49 K HA 0.364 4.684 4.320 -0.000 0.000 0.275 49 K C -0.052 176.475 176.600 -0.121 0.000 1.009 49 K CA 0.025 56.234 56.287 -0.130 0.000 0.970 49 K CB 0.232 32.624 32.500 -0.181 0.000 0.934 49 K HN 0.565 nan 8.250 nan 0.000 0.479 50 I N -1.245 119.218 120.570 -0.179 0.000 3.067 50 I HA 0.670 4.840 4.170 -0.000 0.000 0.312 50 I C 0.268 176.300 176.117 -0.142 0.000 1.073 50 I CA -1.106 60.111 61.300 -0.139 0.000 1.016 50 I CB 1.961 39.879 38.000 -0.138 0.000 1.227 50 I HN 0.595 nan 8.210 nan 0.000 0.456 51 G N 1.146 109.879 108.800 -0.112 0.000 2.828 51 G HA2 0.579 4.539 3.960 -0.000 0.000 0.244 51 G HA3 0.579 4.539 3.960 -0.000 0.000 0.244 51 G C -2.359 172.478 174.900 -0.104 0.000 1.365 51 G CA -1.130 43.907 45.100 -0.104 0.000 1.041 51 G HN 0.517 nan 8.290 nan 0.000 0.560 52 P HA 0.075 nan 4.420 nan 0.000 0.240 52 P C 1.254 178.496 177.300 -0.097 0.000 1.190 52 P CA 0.458 63.500 63.100 -0.096 0.000 0.781 52 P CB 0.345 31.994 31.700 -0.086 0.000 0.931 53 E N -0.336 119.812 120.200 -0.086 0.000 2.505 53 E HA -0.086 4.264 4.350 -0.000 0.000 0.197 53 E C -0.111 176.435 176.600 -0.090 0.000 1.111 53 E CA 0.490 56.841 56.400 -0.083 0.000 0.887 53 E CB -0.875 28.785 29.700 -0.066 0.000 0.913 53 E HN 0.120 nan 8.360 nan 0.000 0.517 54 N N 1.591 120.231 118.700 -0.100 0.000 2.623 54 N HA 0.149 4.888 4.740 -0.000 0.000 0.256 54 N C -2.073 173.353 175.510 -0.141 0.000 1.045 54 N CA -1.866 51.135 53.050 -0.081 0.000 0.863 54 N CB 1.820 40.277 38.487 -0.050 0.000 1.182 54 N HN -0.128 nan 8.380 nan 0.000 0.523 55 P HA 0.064 nan 4.420 nan 0.000 0.245 55 P C -0.279 176.813 177.300 -0.345 0.000 1.206 55 P CA 0.218 63.109 63.100 -0.348 0.000 0.781 55 P CB 0.202 31.621 31.700 -0.467 0.000 0.994 56 Y N 1.311 121.575 120.300 -0.060 0.000 2.326 56 Y HA 0.400 4.950 4.550 -0.000 0.000 0.333 56 Y C 0.960 176.841 175.900 -0.030 0.000 1.240 56 Y CA 0.044 58.125 58.100 -0.031 0.000 1.365 56 Y CB 0.328 38.775 38.460 -0.022 0.000 1.289 56 Y HN -0.073 nan 8.280 nan 0.000 0.548 57 N N -0.209 118.602 118.700 0.185 0.000 2.777 57 N HA 0.162 4.902 4.740 -0.000 0.000 0.260 57 N C -1.679 173.910 175.510 0.132 0.000 1.113 57 N CA -0.337 52.782 53.050 0.115 0.000 0.996 57 N CB 1.190 39.700 38.487 0.039 0.000 1.584 57 N HN 0.605 nan 8.380 nan 0.000 0.573 58 T N 2.615 117.269 114.554 0.167 0.000 2.895 58 T HA 0.678 5.028 4.350 -0.000 0.000 0.283 58 T C -2.669 172.091 174.700 0.100 0.000 1.014 58 T CA -1.986 60.200 62.100 0.143 0.000 1.037 58 T CB 1.035 70.018 68.868 0.191 0.000 1.006 58 T HN 0.285 nan 8.240 nan 0.000 0.468 59 P HA 0.383 nan 4.420 nan 0.000 0.274 59 P C -1.093 176.189 177.300 -0.029 0.000 1.237 59 P CA -0.421 62.693 63.100 0.024 0.000 0.793 59 P CB 0.591 32.350 31.700 0.099 0.000 0.977 60 V N -1.311 118.510 119.914 -0.155 0.000 2.841 60 V HA 0.726 4.846 4.120 -0.000 0.000 0.310 60 V C -0.989 174.921 176.094 -0.306 0.000 1.090 60 V CA -0.717 61.518 62.300 -0.108 0.000 0.930 60 V CB 1.392 33.168 31.823 -0.078 0.000 1.014 60 V HN 0.288 nan 8.190 nan 0.000 0.425 61 F N 1.440 121.378 119.950 -0.020 0.000 2.740 61 F HA 0.982 5.509 4.527 -0.000 0.000 0.357 61 F C 0.439 176.173 175.800 -0.110 0.000 1.141 61 F CA -0.542 57.415 58.000 -0.071 0.000 1.044 61 F CB 1.848 40.780 39.000 -0.113 0.000 1.430 61 F HN 0.883 nan 8.300 nan 0.000 0.518 62 A N 1.547 124.409 122.820 0.071 0.000 2.385 62 A HA 0.754 5.074 4.320 -0.000 0.000 0.290 62 A C -0.933 176.712 177.584 0.102 0.000 1.094 62 A CA -0.498 51.531 52.037 -0.013 0.000 0.729 62 A CB 0.430 19.257 19.000 -0.289 0.000 1.194 62 A HN 0.691 nan 8.150 nan 0.000 0.442 63 I N -1.512 119.168 120.570 0.183 0.000 2.863 63 I HA 0.758 4.928 4.170 -0.000 0.000 0.311 63 I C -0.353 175.926 176.117 0.269 0.000 1.026 63 I CA -1.222 60.187 61.300 0.181 0.000 1.077 63 I CB 1.867 39.915 38.000 0.081 0.000 1.262 63 I HN 0.348 nan 8.210 nan 0.000 0.461 64 K N 3.190 123.640 120.400 0.084 0.000 2.284 64 K HA 0.264 4.584 4.320 -0.000 0.000 0.287 64 K C 0.404 176.959 176.600 -0.075 0.000 1.081 64 K CA -0.217 55.999 56.287 -0.119 0.000 0.910 64 K CB 1.117 33.436 32.500 -0.301 0.000 1.088 64 K HN 0.567 nan 8.250 nan 0.000 0.478 65 K N 1.980 122.350 120.400 -0.051 0.000 1.974 65 K HA -0.140 4.180 4.320 -0.000 0.000 0.231 65 K C 0.116 176.670 176.600 -0.077 0.000 1.035 65 K CA 1.477 57.736 56.287 -0.048 0.000 1.044 65 K CB 0.008 32.484 32.500 -0.041 0.000 0.738 65 K HN 0.211 nan 8.250 nan 0.000 0.447 66 K N 1.412 121.759 120.400 -0.089 0.000 3.022 66 K HA 0.016 4.336 4.320 -0.000 0.000 0.178 66 K C -0.844 175.688 176.600 -0.113 0.000 1.089 66 K CA 0.181 56.414 56.287 -0.090 0.000 0.916 66 K CB 0.655 33.108 32.500 -0.079 0.000 1.159 66 K HN 0.538 nan 8.250 nan 0.000 0.592 67 D N -0.519 119.794 120.400 -0.146 0.000 2.985 67 D HA -0.261 4.379 4.640 -0.000 0.000 0.202 67 D C 0.116 176.292 176.300 -0.208 0.000 1.163 67 D CA 1.721 55.603 54.000 -0.197 0.000 0.922 67 D CB -1.286 39.425 40.800 -0.148 0.000 1.019 67 D HN 0.373 nan 8.370 nan 0.000 0.366 68 S N -1.437 114.167 115.700 -0.160 0.000 2.614 68 S HA 0.110 4.580 4.470 -0.000 0.000 0.251 68 S C 1.599 176.093 174.600 -0.177 0.000 1.388 68 S CA 0.568 58.686 58.200 -0.137 0.000 0.973 68 S CB 0.048 63.191 63.200 -0.095 0.000 0.926 68 S HN 0.246 nan 8.310 nan 0.000 0.580 69 T N 0.316 114.793 114.554 -0.127 0.000 2.755 69 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 69 T C 0.804 175.409 174.700 -0.158 0.000 1.041 69 T CA 2.107 64.135 62.100 -0.119 0.000 1.147 69 T CB -0.439 68.398 68.868 -0.051 0.000 0.847 69 T HN 0.650 nan 8.240 nan 0.000 0.478 70 K N -0.694 119.627 120.400 -0.131 0.000 2.185 70 K HA 0.423 4.743 4.320 -0.000 0.000 0.240 70 K C -1.319 175.205 176.600 -0.127 0.000 0.983 70 K CA -0.955 55.289 56.287 -0.071 0.000 0.873 70 K CB 1.040 33.574 32.500 0.057 0.000 1.118 70 K HN 0.105 nan 8.250 nan 0.000 0.441 71 W N 1.344 122.632 121.300 -0.021 0.000 2.485 71 W HA 0.477 5.137 4.660 -0.000 0.000 0.364 71 W C -0.043 176.467 176.519 -0.015 0.000 1.171 71 W CA -0.551 56.779 57.345 -0.025 0.000 1.304 71 W CB 0.546 29.990 29.460 -0.027 0.000 1.335 71 W HN 0.517 nan 8.180 nan 0.000 0.643 72 R N 1.413 122.072 120.500 0.265 0.000 2.803 72 R HA 0.524 4.864 4.340 -0.000 0.000 0.276 72 R C -0.943 175.438 176.300 0.135 0.000 0.978 72 R CA -0.891 55.300 56.100 0.151 0.000 0.939 72 R CB 1.574 31.930 30.300 0.094 0.000 1.179 72 R HN 0.419 nan 8.270 nan 0.000 0.472 73 K N 3.181 123.637 120.400 0.093 0.000 2.172 73 K HA 0.344 4.664 4.320 -0.000 0.000 0.276 73 K C -1.400 175.246 176.600 0.077 0.000 1.013 73 K CA -0.725 55.591 56.287 0.048 0.000 0.913 73 K CB 0.981 33.474 32.500 -0.011 0.000 1.055 73 K HN 0.561 nan 8.250 nan 0.000 0.461 74 L N 5.759 127.042 121.223 0.099 0.000 2.353 74 L HA 0.269 4.609 4.340 -0.000 0.000 0.270 74 L C -1.406 175.553 176.870 0.148 0.000 1.003 74 L CA -0.566 54.361 54.840 0.144 0.000 0.862 74 L CB 1.578 43.740 42.059 0.171 0.000 1.221 74 L HN 0.367 nan 8.230 nan 0.000 0.430 75 V N 3.792 123.714 119.914 0.013 0.000 2.372 75 V HA 0.133 4.253 4.120 -0.000 0.000 0.261 75 V C 0.384 176.364 176.094 -0.190 0.000 1.055 75 V CA -0.497 61.665 62.300 -0.231 0.000 0.930 75 V CB 0.842 32.275 31.823 -0.651 0.000 1.031 75 V HN 0.684 nan 8.190 nan 0.000 0.479 76 D N 4.591 125.010 120.400 0.031 0.000 2.662 76 D HA 0.011 4.651 4.640 -0.000 0.000 0.228 76 D C 0.532 176.866 176.300 0.057 0.000 1.090 76 D CA -0.114 53.961 54.000 0.126 0.000 1.118 76 D CB -0.355 40.650 40.800 0.341 0.000 1.129 76 D HN 0.429 nan 8.370 nan 0.000 0.472 77 F N 1.147 121.211 119.950 0.191 0.000 2.726 77 F HA 0.174 4.701 4.527 -0.000 0.000 0.296 77 F C 2.002 177.885 175.800 0.138 0.000 1.250 77 F CA -0.067 58.037 58.000 0.173 0.000 1.434 77 F CB -0.214 38.931 39.000 0.241 0.000 1.043 77 F HN 0.168 nan 8.300 nan 0.000 0.508 78 R N 0.016 120.646 120.500 0.216 0.000 2.080 78 R HA -0.207 4.132 4.340 -0.000 0.000 0.236 78 R C 2.086 178.450 176.300 0.108 0.000 1.137 78 R CA 1.708 57.875 56.100 0.112 0.000 0.943 78 R CB -0.242 30.039 30.300 -0.032 0.000 0.846 78 R HN 0.154 nan 8.270 nan 0.000 0.431 79 E N 0.803 121.064 120.200 0.102 0.000 2.031 79 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 79 E C 1.747 178.396 176.600 0.082 0.000 0.994 79 E CA 0.963 57.406 56.400 0.073 0.000 0.800 79 E CB -0.278 29.463 29.700 0.069 0.000 0.752 79 E HN 0.097 nan 8.360 nan 0.000 0.447 80 L N 0.921 122.230 121.223 0.142 0.000 2.187 80 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 80 L C 1.435 178.388 176.870 0.138 0.000 1.100 80 L CA 1.569 56.454 54.840 0.075 0.000 0.765 80 L CB -0.545 41.544 42.059 0.051 0.000 0.904 80 L HN 0.102 nan 8.230 nan 0.000 0.437 81 N N 0.161 118.991 118.700 0.216 0.000 2.062 81 N HA -0.153 4.587 4.740 -0.000 0.000 0.191 81 N C 1.682 177.254 175.510 0.103 0.000 1.042 81 N CA 1.610 54.785 53.050 0.208 0.000 0.845 81 N CB -0.266 38.328 38.487 0.178 0.000 1.024 81 N HN 0.391 nan 8.380 nan 0.000 0.424 82 K N 0.918 121.353 120.400 0.059 0.000 2.089 82 K HA -0.116 4.204 4.320 -0.000 0.000 0.210 82 K C 1.871 178.456 176.600 -0.024 0.000 1.048 82 K CA 1.178 57.475 56.287 0.017 0.000 0.926 82 K CB -0.221 32.276 32.500 -0.006 0.000 0.714 82 K HN 0.203 nan 8.250 nan 0.000 0.448 83 R N 0.404 120.877 120.500 -0.044 0.000 2.316 83 R HA -0.056 4.284 4.340 -0.000 0.000 0.202 83 R C 1.623 177.832 176.300 -0.152 0.000 1.029 83 R CA 1.375 57.398 56.100 -0.129 0.000 1.018 83 R CB -0.006 30.201 30.300 -0.155 0.000 0.888 83 R HN 0.474 nan 8.270 nan 0.000 0.471 84 T N -4.267 110.261 114.554 -0.043 0.000 3.359 84 T HA -0.101 4.249 4.350 -0.000 0.000 0.160 84 T C 1.436 176.186 174.700 0.084 0.000 0.924 84 T CA -0.469 61.604 62.100 -0.044 0.000 0.951 84 T CB -0.484 68.373 68.868 -0.018 0.000 1.404 84 T HN -0.120 nan 8.240 nan 0.000 0.309 85 Q N 1.571 121.439 119.800 0.113 0.000 2.452 85 Q HA -0.326 4.014 4.340 -0.000 0.000 0.218 85 Q C 1.201 177.329 176.000 0.214 0.000 0.999 85 Q CA 2.371 58.270 55.803 0.160 0.000 0.938 85 Q CB -0.857 27.891 28.738 0.017 0.000 0.925 85 Q HN 0.609 nan 8.270 nan 0.000 0.446 86 D N -1.277 119.249 120.400 0.210 0.000 2.277 86 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 86 D C 0.531 177.098 176.300 0.445 0.000 0.962 86 D CA 0.458 54.606 54.000 0.248 0.000 0.865 86 D CB -0.075 40.841 40.800 0.194 0.000 0.939 86 D HN 0.224 nan 8.370 nan 0.000 0.510 87 F N -1.575 118.481 119.950 0.177 0.000 2.695 87 F HA 0.234 4.761 4.527 -0.000 0.000 0.303 87 F C 0.225 176.300 175.800 0.457 0.000 1.091 87 F CA -0.284 57.861 58.000 0.242 0.000 1.300 87 F CB 0.169 39.306 39.000 0.228 0.000 1.071 87 F HN -0.008 nan 8.300 nan 0.000 0.578 88 W N 0.026 121.391 121.300 0.108 0.000 1.645 88 W HA 0.321 4.981 4.660 -0.000 0.000 0.315 88 W C 1.239 177.722 176.519 -0.060 0.000 0.870 88 W CA -0.804 56.531 57.345 -0.017 0.000 2.483 88 W CB -0.287 29.130 29.460 -0.072 0.000 1.339 88 W HN 0.056 nan 8.180 nan 0.000 0.549 89 E N -1.055 119.209 120.200 0.108 0.000 2.639 89 E HA 0.101 4.451 4.350 -0.000 0.000 0.225 89 E C 0.452 177.051 176.600 -0.002 0.000 0.921 89 E CA 0.436 56.863 56.400 0.044 0.000 1.184 89 E CB 0.764 30.509 29.700 0.074 0.000 1.160 89 E HN -0.016 nan 8.360 nan 0.000 0.547 90 V N 0.571 120.471 119.914 -0.022 0.000 3.654 90 V HA -0.009 4.111 4.120 -0.000 0.000 0.204 90 V C 1.875 177.870 176.094 -0.166 0.000 1.135 90 V CA 0.242 62.487 62.300 -0.092 0.000 1.368 90 V CB -0.235 31.509 31.823 -0.132 0.000 1.519 90 V HN 0.130 nan 8.190 nan 0.000 0.496 91 Q N -0.224 119.441 119.800 -0.226 0.000 2.592 91 Q HA -0.108 4.232 4.340 -0.000 0.000 0.219 91 Q C 0.850 176.576 176.000 -0.458 0.000 0.984 91 Q CA 1.374 56.972 55.803 -0.341 0.000 0.911 91 Q CB 0.015 28.511 28.738 -0.403 0.000 0.962 91 Q HN 0.581 nan 8.270 nan 0.000 0.532 92 L N -1.454 119.529 121.223 -0.399 0.000 3.695 92 L HA 0.225 4.565 4.340 -0.000 0.000 0.349 92 L C 0.501 177.251 176.870 -0.199 0.000 1.304 92 L CA -0.326 54.295 54.840 -0.365 0.000 1.078 92 L CB 0.545 42.260 42.059 -0.573 0.000 1.440 92 L HN 0.007 nan 8.230 nan 0.000 0.620 93 G N 1.422 110.142 108.800 -0.133 0.000 2.241 93 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.235 93 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.235 93 G C -0.150 174.727 174.900 -0.038 0.000 1.127 93 G CA 0.184 45.247 45.100 -0.062 0.000 0.867 93 G HN 0.232 nan 8.290 nan 0.000 0.473 94 I N 5.354 125.930 120.570 0.010 0.000 2.347 94 I HA 0.167 4.337 4.170 -0.000 0.000 0.283 94 I C -1.468 174.719 176.117 0.116 0.000 1.058 94 I CA -1.694 59.642 61.300 0.061 0.000 1.202 94 I CB 1.434 39.485 38.000 0.085 0.000 1.386 94 I HN 0.429 nan 8.210 nan 0.000 0.475 95 P HA -0.116 nan 4.420 nan 0.000 0.264 95 P C -0.858 176.446 177.300 0.007 0.000 1.179 95 P CA 0.358 63.482 63.100 0.040 0.000 0.763 95 P CB 0.569 32.270 31.700 0.002 0.000 0.806 96 H N 3.792 122.770 119.070 -0.154 0.000 2.551 96 H HA 0.351 4.907 4.556 -0.000 0.000 0.321 96 H C -1.978 173.161 175.328 -0.315 0.000 1.028 96 H CA -2.079 53.721 56.048 -0.413 0.000 1.215 96 H CB 0.696 30.273 29.762 -0.307 0.000 1.414 96 H HN 0.242 nan 8.280 nan 0.000 0.480 97 P HA 0.086 nan 4.420 nan 0.000 0.268 97 P C 0.123 176.965 177.300 -0.764 0.000 1.282 97 P CA -0.138 62.594 63.100 -0.612 0.000 0.880 97 P CB 0.737 32.182 31.700 -0.425 0.000 0.971 98 A N 3.267 125.824 122.820 -0.437 0.000 2.264 98 A HA 0.158 4.478 4.320 -0.000 0.000 0.207 98 A C 1.693 179.170 177.584 -0.178 0.000 1.196 98 A CA 1.018 52.898 52.037 -0.262 0.000 0.778 98 A CB -0.651 18.298 19.000 -0.085 0.000 0.779 98 A HN 0.609 nan 8.150 nan 0.000 0.483 99 G N -1.615 107.069 108.800 -0.192 0.000 3.528 99 G HA2 0.272 4.232 3.960 -0.000 0.000 0.266 99 G HA3 0.272 4.232 3.960 -0.000 0.000 0.266 99 G C 0.886 175.724 174.900 -0.104 0.000 1.004 99 G CA 0.448 45.478 45.100 -0.117 0.000 0.853 99 G HN 0.347 nan 8.290 nan 0.000 0.501 100 L N 1.689 122.834 121.223 -0.131 0.000 2.265 100 L HA 0.072 4.412 4.340 -0.000 0.000 0.215 100 L C 2.479 179.327 176.870 -0.037 0.000 1.117 100 L CA 2.019 56.828 54.840 -0.052 0.000 0.782 100 L CB -0.288 41.765 42.059 -0.010 0.000 0.914 100 L HN 0.375 nan 8.230 nan 0.000 0.441 101 K N -1.353 119.010 120.400 -0.062 0.000 2.486 101 K HA -0.066 4.254 4.320 -0.000 0.000 0.194 101 K C 1.585 178.111 176.600 -0.123 0.000 1.033 101 K CA 0.863 57.105 56.287 -0.075 0.000 1.004 101 K CB -0.153 32.308 32.500 -0.066 0.000 0.798 101 K HN 0.304 nan 8.250 nan 0.000 0.495 102 K N 0.765 121.107 120.400 -0.097 0.000 2.284 102 K HA 0.101 4.421 4.320 -0.000 0.000 0.198 102 K C 0.243 176.786 176.600 -0.095 0.000 1.048 102 K CA -0.031 56.202 56.287 -0.090 0.000 0.987 102 K CB 0.260 32.722 32.500 -0.063 0.000 0.800 102 K HN -0.049 nan 8.250 nan 0.000 0.486 103 K N 1.871 122.219 120.400 -0.087 0.000 2.494 103 K HA -0.061 4.259 4.320 -0.000 0.000 0.273 103 K C 0.992 177.521 176.600 -0.117 0.000 0.970 103 K CA 0.328 56.566 56.287 -0.081 0.000 0.963 103 K CB 0.553 33.022 32.500 -0.053 0.000 0.913 103 K HN -0.088 nan 8.250 nan 0.000 0.502 104 K N 0.722 121.062 120.400 -0.100 0.000 2.211 104 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 104 K C -0.211 176.356 176.600 -0.055 0.000 1.050 104 K CA 0.848 57.084 56.287 -0.086 0.000 0.945 104 K CB 0.329 32.785 32.500 -0.074 0.000 0.732 104 K HN 0.438 nan 8.250 nan 0.000 0.451 105 S N -0.466 115.129 115.700 -0.176 0.000 2.562 105 S HA 0.355 4.825 4.470 -0.000 0.000 0.274 105 S C -1.403 173.039 174.600 -0.264 0.000 1.160 105 S CA -0.831 57.204 58.200 -0.275 0.000 0.933 105 S CB 2.427 65.349 63.200 -0.464 0.000 1.100 105 S HN -0.075 nan 8.310 nan 0.000 0.468 106 V N 2.711 122.547 119.914 -0.130 0.000 2.487 106 V HA 0.657 4.777 4.120 -0.000 0.000 0.298 106 V C -0.066 176.120 176.094 0.153 0.000 1.028 106 V CA -0.465 61.878 62.300 0.071 0.000 0.860 106 V CB 1.954 33.837 31.823 0.101 0.000 0.991 106 V HN 0.873 nan 8.190 nan 0.000 0.427 107 T N 3.642 118.336 114.554 0.233 0.000 2.885 107 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 107 T C -0.547 174.144 174.700 -0.014 0.000 1.019 107 T CA -0.442 61.748 62.100 0.149 0.000 1.010 107 T CB 1.973 70.921 68.868 0.134 0.000 1.022 107 T HN 0.370 nan 8.240 nan 0.000 0.466 108 V N 4.300 124.133 119.914 -0.136 0.000 2.409 108 V HA 0.532 4.652 4.120 -0.000 0.000 0.291 108 V C -0.459 175.475 176.094 -0.266 0.000 1.020 108 V CA -0.852 61.193 62.300 -0.424 0.000 0.848 108 V CB 0.954 32.279 31.823 -0.829 0.000 0.990 108 V HN 0.645 nan 8.190 nan 0.000 0.430 109 L N 1.933 123.019 121.223 -0.228 0.000 2.346 109 L HA 0.688 5.028 4.340 -0.000 0.000 0.276 109 L C -0.404 176.368 176.870 -0.163 0.000 1.006 109 L CA -0.772 53.975 54.840 -0.154 0.000 0.817 109 L CB 1.615 43.609 42.059 -0.108 0.000 1.272 109 L HN 0.431 nan 8.230 nan 0.000 0.421 110 D N 1.585 121.893 120.400 -0.153 0.000 2.435 110 D HA 0.208 4.848 4.640 -0.000 0.000 0.230 110 D C 0.942 177.126 176.300 -0.193 0.000 1.215 110 D CA -0.251 53.650 54.000 -0.165 0.000 0.947 110 D CB 1.077 41.784 40.800 -0.156 0.000 1.048 110 D HN 0.477 nan 8.370 nan 0.000 0.512 111 V N 1.517 121.304 119.914 -0.212 0.000 3.608 111 V HA 0.263 4.383 4.120 -0.000 0.000 0.269 111 V C 2.190 177.957 176.094 -0.545 0.000 1.245 111 V CA 0.606 62.736 62.300 -0.284 0.000 1.138 111 V CB -0.153 31.557 31.823 -0.189 0.000 0.841 111 V HN 0.469 nan 8.190 nan 0.000 0.451 112 G N 0.723 109.182 108.800 -0.568 0.000 2.606 112 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.223 112 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.223 112 G C 1.280 175.524 174.900 -1.092 0.000 1.106 112 G CA 1.350 45.908 45.100 -0.903 0.000 0.745 112 G HN 0.584 nan 8.290 nan 0.000 0.597 113 D N 0.681 120.631 120.400 -0.751 0.000 2.384 113 D HA 0.054 4.694 4.640 -0.000 0.000 0.222 113 D C 2.543 178.483 176.300 -0.600 0.000 0.976 113 D CA 0.746 54.305 54.000 -0.733 0.000 0.915 113 D CB -0.031 40.521 40.800 -0.414 0.000 0.896 113 D HN 0.329 nan 8.370 nan 0.000 0.523 114 A N 0.171 122.553 122.820 -0.730 0.000 1.841 114 A HA -0.183 4.137 4.320 -0.000 0.000 0.214 114 A C 1.923 179.205 177.584 -0.504 0.000 1.195 114 A CA 1.030 52.702 52.037 -0.608 0.000 0.611 114 A CB -1.259 17.219 19.000 -0.869 0.000 0.835 114 A HN 0.429 nan 8.150 nan 0.000 0.443 115 Y N -1.007 118.878 120.300 -0.692 0.000 2.108 115 Y HA -0.371 4.179 4.550 -0.000 0.000 0.274 115 Y C 2.246 178.221 175.900 0.124 0.000 1.229 115 Y CA 1.128 59.036 58.100 -0.320 0.000 1.129 115 Y CB -0.869 37.492 38.460 -0.165 0.000 0.946 115 Y HN 0.330 nan 8.280 nan 0.000 0.509 116 F N 0.699 120.711 119.950 0.104 0.000 2.406 116 F HA -0.310 4.217 4.527 -0.000 0.000 0.297 116 F C 2.306 178.183 175.800 0.130 0.000 1.059 116 F CA 0.599 58.675 58.000 0.128 0.000 1.458 116 F CB -0.241 38.804 39.000 0.075 0.000 1.107 116 F HN 0.265 nan 8.300 nan 0.000 0.582 117 S N -0.870 115.020 115.700 0.317 0.000 2.398 117 S HA 0.017 4.487 4.470 -0.000 0.000 0.220 117 S C 0.692 175.437 174.600 0.242 0.000 1.046 117 S CA -0.181 58.167 58.200 0.246 0.000 0.953 117 S CB -0.833 62.511 63.200 0.239 0.000 0.856 117 S HN -0.079 nan 8.310 nan 0.000 0.506 118 V N 6.100 126.191 119.914 0.297 0.000 2.555 118 V HA 0.123 4.243 4.120 -0.000 0.000 0.299 118 V C -1.990 174.244 176.094 0.234 0.000 1.012 118 V CA -0.901 61.563 62.300 0.274 0.000 1.180 118 V CB -0.666 31.362 31.823 0.341 0.000 0.887 118 V HN 0.421 nan 8.190 nan 0.000 0.476 119 P HA 0.173 nan 4.420 nan 0.000 0.271 119 P C -0.532 176.877 177.300 0.183 0.000 1.218 119 P CA -0.530 62.669 63.100 0.166 0.000 0.780 119 P CB 1.211 32.987 31.700 0.126 0.000 0.901 120 L N 2.672 124.008 121.223 0.188 0.000 2.326 120 L HA 0.288 4.628 4.340 -0.000 0.000 0.278 120 L C 0.332 177.302 176.870 0.166 0.000 1.092 120 L CA -0.356 54.606 54.840 0.204 0.000 0.810 120 L CB 0.076 42.275 42.059 0.232 0.000 1.153 120 L HN 0.284 nan 8.230 nan 0.000 0.439 121 D N 2.789 123.290 120.400 0.170 0.000 2.662 121 D HA -0.164 4.476 4.640 -0.000 0.000 0.233 121 D C 1.061 177.441 176.300 0.133 0.000 1.129 121 D CA 0.572 54.661 54.000 0.148 0.000 0.851 121 D CB 0.852 41.746 40.800 0.157 0.000 1.152 121 D HN 0.678 nan 8.370 nan 0.000 0.507 122 E N 2.599 122.856 120.200 0.094 0.000 2.171 122 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 122 E C 0.877 177.497 176.600 0.033 0.000 0.997 122 E CA 1.666 58.101 56.400 0.059 0.000 0.810 122 E CB 0.155 29.882 29.700 0.046 0.000 0.738 122 E HN 0.553 nan 8.360 nan 0.000 0.467 123 D N -0.895 119.539 120.400 0.056 0.000 2.149 123 D HA -0.114 4.526 4.640 -0.000 0.000 0.206 123 D C 1.675 177.951 176.300 -0.039 0.000 0.967 123 D CA 0.572 54.579 54.000 0.013 0.000 0.848 123 D CB -0.648 40.189 40.800 0.062 0.000 0.998 123 D HN 0.242 nan 8.370 nan 0.000 0.474 124 F N 2.645 122.550 119.950 -0.075 0.000 2.333 124 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 124 F C 2.132 177.826 175.800 -0.178 0.000 1.083 124 F CA 0.888 58.852 58.000 -0.061 0.000 1.395 124 F CB 0.115 39.059 39.000 -0.093 0.000 1.056 124 F HN -0.206 nan 8.300 nan 0.000 0.529 125 R N 1.051 121.496 120.500 -0.093 0.000 2.122 125 R HA -0.289 4.051 4.340 -0.000 0.000 0.236 125 R C 2.339 178.469 176.300 -0.284 0.000 1.129 125 R CA 2.451 58.479 56.100 -0.120 0.000 0.925 125 R CB -1.002 29.282 30.300 -0.027 0.000 0.850 125 R HN 0.391 nan 8.270 nan 0.000 0.431 126 K N 0.134 120.317 120.400 -0.362 0.000 2.207 126 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 126 K C 1.594 177.895 176.600 -0.500 0.000 1.046 126 K CA 2.199 58.250 56.287 -0.394 0.000 0.929 126 K CB -0.624 31.613 32.500 -0.440 0.000 0.720 126 K HN 0.274 nan 8.250 nan 0.000 0.463 127 Y N 2.153 122.047 120.300 -0.676 0.000 2.616 127 Y HA -0.056 4.494 4.550 -0.000 0.000 0.296 127 Y C 2.430 178.025 175.900 -0.509 0.000 1.154 127 Y CA 1.233 58.824 58.100 -0.849 0.000 1.325 127 Y CB -0.353 37.331 38.460 -1.293 0.000 1.007 127 Y HN 0.441 nan 8.280 nan 0.000 0.542 128 T N -3.258 111.186 114.554 -0.183 0.000 3.040 128 T HA 0.432 4.782 4.350 -0.000 0.000 0.250 128 T C 1.086 176.000 174.700 0.358 0.000 1.058 128 T CA 0.115 62.303 62.100 0.148 0.000 0.988 128 T CB -0.452 68.509 68.868 0.155 0.000 0.993 128 T HN 0.187 nan 8.240 nan 0.000 0.519 129 A N 1.962 124.870 122.820 0.147 0.000 2.616 129 A HA 0.419 4.739 4.320 -0.000 0.000 0.234 129 A C 0.070 177.707 177.584 0.087 0.000 1.024 129 A CA 0.055 52.112 52.037 0.034 0.000 0.758 129 A CB -0.782 18.204 19.000 -0.024 0.000 0.939 129 A HN 0.810 nan 8.150 nan 0.000 0.510 130 F N -0.879 119.159 119.950 0.146 0.000 2.650 130 F HA 0.845 5.372 4.527 -0.000 0.000 0.320 130 F C -0.264 175.581 175.800 0.075 0.000 1.091 130 F CA -0.924 57.135 58.000 0.098 0.000 0.962 130 F CB 1.393 40.456 39.000 0.105 0.000 1.363 130 F HN 0.328 nan 8.300 nan 0.000 0.482 131 T N 2.445 117.032 114.554 0.055 0.000 2.879 131 T HA 0.532 4.882 4.350 -0.000 0.000 0.290 131 T C -0.531 174.233 174.700 0.106 0.000 0.993 131 T CA -0.393 61.701 62.100 -0.010 0.000 0.975 131 T CB 1.201 70.033 68.868 -0.060 0.000 0.981 131 T HN 0.563 nan 8.240 nan 0.000 0.439 132 I N 6.460 127.096 120.570 0.110 0.000 2.337 132 I HA 0.258 4.428 4.170 -0.000 0.000 0.291 132 I C -1.749 174.365 176.117 -0.005 0.000 1.046 132 I CA -2.141 59.212 61.300 0.090 0.000 1.324 132 I CB 0.996 39.072 38.000 0.128 0.000 1.409 132 I HN 0.314 nan 8.210 nan 0.000 0.494 133 P HA 0.103 nan 4.420 nan 0.000 0.274 133 P C -0.696 176.571 177.300 -0.056 0.000 1.256 133 P CA -0.375 62.692 63.100 -0.056 0.000 0.795 133 P CB 1.140 32.799 31.700 -0.068 0.000 1.038 134 S N 0.077 115.742 115.700 -0.059 0.000 2.537 134 S HA 0.520 4.989 4.470 -0.000 0.000 0.301 134 S C 0.094 174.663 174.600 -0.051 0.000 1.092 134 S CA -0.907 57.261 58.200 -0.054 0.000 1.048 134 S CB 0.219 63.387 63.200 -0.053 0.000 1.053 134 S HN 0.250 nan 8.310 nan 0.000 0.501 135 I N 3.461 124.004 120.570 -0.047 0.000 2.618 135 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 135 I C 1.524 177.618 176.117 -0.037 0.000 1.146 135 I CA 0.202 61.477 61.300 -0.041 0.000 1.425 135 I CB -0.065 37.913 38.000 -0.037 0.000 1.383 135 I HN 0.998 nan 8.210 nan 0.000 0.562 136 N N 6.004 124.683 118.700 -0.035 0.000 2.721 136 N HA -0.279 4.461 4.740 -0.000 0.000 0.249 136 N C 0.221 175.709 175.510 -0.037 0.000 1.072 136 N CA 0.754 53.784 53.050 -0.032 0.000 0.710 136 N CB -0.558 37.914 38.487 -0.025 0.000 0.993 136 N HN 0.956 nan 8.380 nan 0.000 0.547 137 N N -0.954 117.719 118.700 -0.044 0.000 2.629 137 N HA -0.243 4.497 4.740 -0.000 0.000 0.246 137 N C 0.281 175.764 175.510 -0.045 0.000 1.176 137 N CA 1.668 54.688 53.050 -0.049 0.000 0.809 137 N CB -1.060 37.396 38.487 -0.051 0.000 1.175 137 N HN 0.683 nan 8.380 nan 0.000 0.577 138 E N -0.211 119.966 120.200 -0.039 0.000 2.492 138 E HA -0.037 4.313 4.350 -0.000 0.000 0.204 138 E C 0.301 176.877 176.600 -0.041 0.000 1.073 138 E CA 0.869 57.247 56.400 -0.036 0.000 0.887 138 E CB 0.147 29.828 29.700 -0.031 0.000 0.813 138 E HN 0.246 nan 8.360 nan 0.000 0.562 139 T N -0.296 114.230 114.554 -0.047 0.000 2.889 139 T HA 0.244 4.594 4.350 -0.000 0.000 0.315 139 T C -2.797 171.865 174.700 -0.063 0.000 1.291 139 T CA -1.523 60.545 62.100 -0.053 0.000 1.028 139 T CB 1.579 70.416 68.868 -0.051 0.000 1.235 139 T HN -0.178 nan 8.240 nan 0.000 0.491 140 P HA 0.280 nan 4.420 nan 0.000 0.276 140 P C 0.504 177.748 177.300 -0.093 0.000 1.243 140 P CA -0.097 62.954 63.100 -0.082 0.000 0.768 140 P CB 0.190 31.838 31.700 -0.085 0.000 0.856 141 G N 4.063 112.806 108.800 -0.094 0.000 2.765 141 G HA2 0.033 3.993 3.960 -0.000 0.000 0.230 141 G HA3 0.033 3.993 3.960 -0.000 0.000 0.230 141 G C 0.221 175.042 174.900 -0.133 0.000 1.238 141 G CA -0.510 44.531 45.100 -0.099 0.000 0.854 141 G HN 0.530 nan 8.290 nan 0.000 0.579 142 I N 0.826 121.317 120.570 -0.132 0.000 2.365 142 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 142 I C 0.598 176.520 176.117 -0.326 0.000 1.004 142 I CA -0.251 60.911 61.300 -0.230 0.000 1.311 142 I CB 1.205 39.103 38.000 -0.171 0.000 1.401 142 I HN 0.336 nan 8.210 nan 0.000 0.491 143 R N 5.803 126.006 120.500 -0.495 0.000 2.437 143 R HA 0.602 4.942 4.340 -0.000 0.000 0.310 143 R C -1.625 174.268 176.300 -0.678 0.000 0.955 143 R CA -0.644 55.151 56.100 -0.508 0.000 0.851 143 R CB 1.769 31.871 30.300 -0.329 0.000 1.161 143 R HN 0.449 nan 8.270 nan 0.000 0.446 144 Y N 0.472 120.338 120.300 -0.725 0.000 2.581 144 Y HA 0.312 4.862 4.550 -0.000 0.000 0.345 144 Y C -0.161 175.260 175.900 -0.798 0.000 1.036 144 Y CA -0.925 56.745 58.100 -0.717 0.000 1.042 144 Y CB 2.213 40.303 38.460 -0.617 0.000 1.289 144 Y HN 0.410 nan 8.280 nan 0.000 0.471 145 Q N 1.180 120.897 119.800 -0.138 0.000 2.397 145 Q HA 0.434 4.774 4.340 -0.000 0.000 0.275 145 Q C -2.012 174.038 176.000 0.083 0.000 1.090 145 Q CA -0.875 54.939 55.803 0.019 0.000 0.809 145 Q CB 1.872 30.597 28.738 -0.023 0.000 1.362 145 Q HN 0.784 nan 8.270 nan 0.000 0.431 146 Y N 2.146 122.560 120.300 0.190 0.000 2.346 146 Y HA 0.134 4.684 4.550 -0.000 0.000 0.330 146 Y C 0.843 176.796 175.900 0.089 0.000 1.178 146 Y CA 0.454 58.654 58.100 0.166 0.000 1.331 146 Y CB 0.884 39.473 38.460 0.215 0.000 1.253 146 Y HN 0.693 nan 8.280 nan 0.000 0.529 147 N N 1.561 120.360 118.700 0.165 0.000 2.177 147 N HA 0.148 4.888 4.740 -0.000 0.000 0.218 147 N C -1.222 174.384 175.510 0.159 0.000 1.182 147 N CA 0.328 53.451 53.050 0.122 0.000 0.882 147 N CB 0.910 39.425 38.487 0.046 0.000 1.052 147 N HN 0.367 nan 8.380 nan 0.000 0.519 148 V N -2.998 117.067 119.914 0.251 0.000 3.216 148 V HA 0.499 4.619 4.120 -0.000 0.000 0.302 148 V C -0.252 176.057 176.094 0.359 0.000 1.286 148 V CA -1.241 61.220 62.300 0.267 0.000 1.048 148 V CB 1.753 33.708 31.823 0.220 0.000 1.081 148 V HN -0.174 nan 8.190 nan 0.000 0.442 149 L N 3.575 125.012 121.223 0.357 0.000 2.499 149 L HA 0.384 4.724 4.340 -0.000 0.000 0.273 149 L C -2.070 175.068 176.870 0.445 0.000 1.195 149 L CA -0.775 54.287 54.840 0.370 0.000 0.882 149 L CB 0.761 42.975 42.059 0.258 0.000 1.133 149 L HN 0.600 nan 8.230 nan 0.000 0.483 150 P HA 0.238 nan 4.420 nan 0.000 0.295 150 P C -1.738 175.768 177.300 0.343 0.000 1.319 150 P CA -1.004 62.229 63.100 0.220 0.000 0.940 150 P CB 1.507 32.888 31.700 -0.531 0.000 1.192 151 Q N 0.488 120.529 119.800 0.401 0.000 2.297 151 Q HA 0.438 4.778 4.340 -0.000 0.000 0.267 151 Q C 1.014 177.267 176.000 0.421 0.000 1.006 151 Q CA 0.556 56.570 55.803 0.351 0.000 0.896 151 Q CB 0.235 29.082 28.738 0.182 0.000 1.186 151 Q HN 0.912 nan 8.270 nan 0.000 0.392 152 G N 2.207 111.247 108.800 0.399 0.000 2.259 152 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 152 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 152 G C -0.783 174.443 174.900 0.542 0.000 1.001 152 G CA -0.384 45.010 45.100 0.491 0.000 0.627 152 G HN 0.655 nan 8.290 nan 0.000 0.501 153 W N 3.836 125.231 121.300 0.158 0.000 2.332 153 W HA 0.717 5.377 4.660 -0.000 0.000 0.306 153 W C 1.021 177.456 176.519 -0.140 0.000 1.149 153 W CA -1.138 56.079 57.345 -0.213 0.000 1.271 153 W CB 0.613 29.597 29.460 -0.793 0.000 1.243 153 W HN 0.077 nan 8.180 nan 0.000 0.459 154 K N 3.353 123.414 120.400 -0.564 0.000 2.520 154 K HA -0.100 4.220 4.320 -0.000 0.000 0.197 154 K C 1.831 177.838 176.600 -0.989 0.000 1.043 154 K CA 1.099 57.008 56.287 -0.630 0.000 0.944 154 K CB -0.054 32.244 32.500 -0.338 0.000 0.770 154 K HN 0.727 nan 8.250 nan 0.000 0.480 155 G N 0.149 107.620 108.800 -2.216 0.000 2.712 155 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.212 155 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.212 155 G C 1.307 175.478 174.900 -1.215 0.000 1.142 155 G CA -0.007 43.928 45.100 -1.942 0.000 0.789 155 G HN 0.130 nan 8.290 nan 0.000 0.535 156 S N 1.450 116.495 115.700 -1.092 0.000 2.348 156 S HA -0.017 4.453 4.470 -0.000 0.000 0.219 156 S C 0.154 174.237 174.600 -0.862 0.000 1.033 156 S CA 1.154 58.865 58.200 -0.814 0.000 0.974 156 S CB -0.559 62.130 63.200 -0.852 0.000 0.868 156 S HN 0.330 nan 8.310 nan 0.000 0.459 157 P HA -0.019 nan 4.420 nan 0.000 0.220 157 P C 1.168 178.345 177.300 -0.206 0.000 1.148 157 P CA 1.309 64.183 63.100 -0.375 0.000 0.803 157 P CB -0.079 31.501 31.700 -0.201 0.000 0.782 158 A N 0.261 122.922 122.820 -0.265 0.000 1.898 158 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 158 A C 2.297 179.790 177.584 -0.151 0.000 1.181 158 A CA 1.346 53.272 52.037 -0.185 0.000 0.620 158 A CB -1.420 17.483 19.000 -0.161 0.000 0.819 158 A HN 0.154 nan 8.150 nan 0.000 0.442 159 I N -2.569 117.937 120.570 -0.108 0.000 2.716 159 I HA -0.062 4.108 4.170 -0.000 0.000 0.259 159 I C 2.090 178.230 176.117 0.038 0.000 1.172 159 I CA 0.740 62.026 61.300 -0.024 0.000 1.478 159 I CB -0.122 37.927 38.000 0.082 0.000 1.104 159 I HN 0.340 nan 8.210 nan 0.000 0.439 160 F N 1.468 121.340 119.950 -0.131 0.000 2.569 160 F HA -0.060 4.467 4.527 -0.000 0.000 0.295 160 F C 2.476 178.260 175.800 -0.026 0.000 1.115 160 F CA 0.863 58.840 58.000 -0.037 0.000 1.450 160 F CB -0.199 38.823 39.000 0.037 0.000 1.107 160 F HN 0.004 nan 8.300 nan 0.000 0.563 161 Q N -0.190 119.636 119.800 0.043 0.000 2.124 161 Q HA -0.357 3.983 4.340 -0.000 0.000 0.215 161 Q C 2.376 178.308 176.000 -0.113 0.000 1.015 161 Q CA 2.630 58.423 55.803 -0.017 0.000 0.890 161 Q CB -0.592 28.116 28.738 -0.049 0.000 0.966 161 Q HN 0.434 nan 8.270 nan 0.000 0.412 162 S N -0.740 114.866 115.700 -0.157 0.000 2.414 162 S HA -0.245 4.225 4.470 -0.000 0.000 0.225 162 S C 2.010 176.443 174.600 -0.278 0.000 1.041 162 S CA 1.997 60.086 58.200 -0.185 0.000 1.114 162 S CB -0.676 62.422 63.200 -0.170 0.000 1.064 162 S HN 0.582 nan 8.310 nan 0.000 0.420 163 S N 0.802 116.218 115.700 -0.473 0.000 2.381 163 S HA -0.228 4.242 4.470 -0.000 0.000 0.230 163 S C 1.844 176.124 174.600 -0.533 0.000 1.052 163 S CA 2.016 59.815 58.200 -0.669 0.000 1.068 163 S CB -0.586 61.791 63.200 -1.371 0.000 0.918 163 S HN 0.557 nan 8.310 nan 0.000 0.448 164 M N 1.901 121.237 119.600 -0.440 0.000 2.084 164 M HA -0.125 4.355 4.480 -0.000 0.000 0.259 164 M C 2.367 178.618 176.300 -0.082 0.000 1.072 164 M CA 2.486 57.731 55.300 -0.091 0.000 1.107 164 M CB -1.453 31.227 32.600 0.133 0.000 1.299 164 M HN 0.455 nan 8.290 nan 0.000 0.413 165 T N -1.867 112.645 114.554 -0.071 0.000 2.918 165 T HA -0.208 4.142 4.350 -0.000 0.000 0.271 165 T C 1.824 176.480 174.700 -0.074 0.000 1.104 165 T CA 1.824 63.896 62.100 -0.046 0.000 1.114 165 T CB -0.600 68.245 68.868 -0.038 0.000 0.855 165 T HN 0.613 nan 8.240 nan 0.000 0.518 166 K N 0.863 121.180 120.400 -0.138 0.000 2.099 166 K HA 0.148 4.468 4.320 -0.000 0.000 0.203 166 K C 2.274 178.745 176.600 -0.215 0.000 1.047 166 K CA 0.661 56.848 56.287 -0.166 0.000 0.963 166 K CB -0.201 32.173 32.500 -0.209 0.000 0.759 166 K HN 0.429 nan 8.250 nan 0.000 0.451 167 I N 1.672 122.080 120.570 -0.271 0.000 2.264 167 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 167 I C 2.073 178.075 176.117 -0.192 0.000 1.111 167 I CA 1.089 62.168 61.300 -0.368 0.000 1.382 167 I CB -0.166 37.662 38.000 -0.286 0.000 1.060 167 I HN 0.171 nan 8.210 nan 0.000 0.418 168 L N 0.023 121.205 121.223 -0.068 0.000 2.418 168 L HA -0.062 4.278 4.340 -0.000 0.000 0.218 168 L C 2.415 179.387 176.870 0.171 0.000 1.125 168 L CA 0.445 55.324 54.840 0.064 0.000 0.835 168 L CB -0.355 41.719 42.059 0.025 0.000 0.953 168 L HN 0.197 nan 8.230 nan 0.000 0.454 169 E N 1.567 121.817 120.200 0.083 0.000 2.033 169 E HA -0.180 4.170 4.350 -0.000 0.000 0.199 169 E C -1.046 175.631 176.600 0.129 0.000 1.011 169 E CA 1.444 57.895 56.400 0.083 0.000 0.815 169 E CB -0.887 28.823 29.700 0.017 0.000 0.755 169 E HN 0.230 nan 8.360 nan 0.000 0.451 170 P HA -0.009 nan 4.420 nan 0.000 0.269 170 P C -0.380 176.995 177.300 0.126 0.000 1.601 170 P CA 0.583 63.761 63.100 0.128 0.000 0.831 170 P CB -0.194 31.598 31.700 0.152 0.000 1.688 171 F N 0.281 120.234 119.950 0.005 0.000 2.300 171 F HA 0.259 4.786 4.527 -0.000 0.000 0.307 171 F C 1.556 177.367 175.800 0.018 0.000 0.847 171 F CA 0.156 58.133 58.000 -0.037 0.000 1.076 171 F CB 0.152 39.201 39.000 0.080 0.000 1.075 171 F HN -0.354 nan 8.300 nan 0.000 0.702 172 K N 0.873 121.503 120.400 0.384 0.000 2.585 172 K HA -0.127 4.193 4.320 -0.000 0.000 0.194 172 K C 1.364 178.015 176.600 0.086 0.000 1.037 172 K CA 0.841 57.279 56.287 0.252 0.000 0.964 172 K CB 0.110 32.725 32.500 0.192 0.000 0.787 172 K HN 0.133 nan 8.250 nan 0.000 0.488 173 K N 1.393 121.813 120.400 0.033 0.000 2.107 173 K HA -0.033 4.287 4.320 -0.000 0.000 0.211 173 K C 1.777 178.332 176.600 -0.075 0.000 1.024 173 K CA 1.080 57.359 56.287 -0.014 0.000 0.953 173 K CB -0.121 32.376 32.500 -0.005 0.000 0.831 173 K HN -0.060 nan 8.250 nan 0.000 0.454 174 Q N 0.657 120.376 119.800 -0.135 0.000 2.142 174 Q HA -0.168 4.172 4.340 -0.000 0.000 0.213 174 Q C -0.198 175.685 176.000 -0.196 0.000 1.004 174 Q CA 1.715 57.409 55.803 -0.182 0.000 0.883 174 Q CB -0.373 28.199 28.738 -0.277 0.000 0.939 174 Q HN 0.316 nan 8.270 nan 0.000 0.413 175 N N 0.857 119.394 118.700 -0.270 0.000 2.816 175 N HA 0.135 4.875 4.740 -0.000 0.000 0.236 175 N C -2.280 173.196 175.510 -0.057 0.000 1.076 175 N CA -0.950 51.984 53.050 -0.194 0.000 0.902 175 N CB 1.295 39.578 38.487 -0.340 0.000 1.149 175 N HN 0.190 nan 8.380 nan 0.000 0.506 176 P HA 0.105 nan 4.420 nan 0.000 0.255 176 P C 0.070 177.384 177.300 0.023 0.000 1.248 176 P CA 0.519 63.624 63.100 0.009 0.000 0.807 176 P CB 0.764 32.462 31.700 -0.004 0.000 1.150 177 D N -0.404 120.011 120.400 0.025 0.000 2.389 177 D HA 0.184 4.824 4.640 -0.000 0.000 0.206 177 D C 0.897 177.232 176.300 0.058 0.000 1.055 177 D CA 0.027 54.046 54.000 0.032 0.000 0.856 177 D CB 0.527 41.339 40.800 0.020 0.000 0.957 177 D HN 0.238 nan 8.370 nan 0.000 0.509 178 I N 2.075 122.702 120.570 0.094 0.000 2.441 178 I HA 0.042 4.212 4.170 -0.000 0.000 0.287 178 I C 0.426 176.624 176.117 0.135 0.000 1.049 178 I CA -0.653 60.732 61.300 0.143 0.000 1.381 178 I CB 1.511 39.648 38.000 0.229 0.000 1.409 178 I HN -0.257 nan 8.210 nan 0.000 0.523 179 V N 6.179 126.164 119.914 0.118 0.000 2.383 179 V HA 0.544 4.664 4.120 -0.000 0.000 0.275 179 V C -0.250 175.933 176.094 0.149 0.000 1.036 179 V CA -0.424 61.935 62.300 0.099 0.000 0.889 179 V CB 1.092 32.944 31.823 0.048 0.000 0.985 179 V HN 0.493 nan 8.190 nan 0.000 0.459 180 I N 6.482 127.146 120.570 0.157 0.000 2.378 180 I HA 0.453 4.623 4.170 -0.000 0.000 0.291 180 I C -1.096 175.178 176.117 0.261 0.000 0.992 180 I CA -0.661 60.756 61.300 0.196 0.000 1.154 180 I CB 1.818 39.909 38.000 0.151 0.000 1.315 180 I HN 0.738 nan 8.210 nan 0.000 0.448 181 Y N 6.316 126.707 120.300 0.152 0.000 2.376 181 Y HA 0.360 4.910 4.550 -0.000 0.000 0.340 181 Y C -0.637 175.401 175.900 0.229 0.000 0.965 181 Y CA -1.440 56.753 58.100 0.155 0.000 1.078 181 Y CB 1.727 40.263 38.460 0.126 0.000 1.193 181 Y HN 0.561 nan 8.280 nan 0.000 0.452 182 Q N 6.515 126.436 119.800 0.202 0.000 2.394 182 Q HA 0.268 4.608 4.340 -0.000 0.000 0.259 182 Q C -2.201 173.657 176.000 -0.237 0.000 1.021 182 Q CA -0.708 55.105 55.803 0.015 0.000 0.805 182 Q CB 0.767 29.581 28.738 0.127 0.000 1.226 182 Q HN 0.762 nan 8.270 nan 0.000 0.476 183 Y N 6.945 127.019 120.300 -0.377 0.000 2.417 183 Y HA 0.291 4.841 4.550 -0.000 0.000 0.336 183 Y C 0.317 176.240 175.900 0.038 0.000 0.961 183 Y CA -0.126 57.788 58.100 -0.311 0.000 1.215 183 Y CB 0.327 38.474 38.460 -0.522 0.000 1.120 183 Y HN 0.985 nan 8.280 nan 0.000 0.499 184 M N 1.171 120.590 119.600 -0.302 0.000 7.319 184 M HA -0.410 4.070 4.480 -0.000 0.000 0.299 184 M C 0.204 176.622 176.300 0.196 0.000 0.480 184 M CA 2.061 57.323 55.300 -0.062 0.000 1.311 184 M CB -0.847 31.780 32.600 0.045 0.000 0.421 184 M HN 0.530 nan 8.290 nan 0.000 0.612 185 D N 1.104 121.657 120.400 0.255 0.000 2.328 185 D HA 0.162 4.802 4.640 -0.000 0.000 0.226 185 D C -0.463 175.864 176.300 0.044 0.000 1.066 185 D CA 0.635 54.721 54.000 0.144 0.000 0.861 185 D CB -0.078 40.745 40.800 0.039 0.000 0.912 185 D HN 0.316 nan 8.370 nan 0.000 0.521 186 D N 0.714 121.213 120.400 0.164 0.000 2.362 186 D HA 0.258 4.898 4.640 -0.000 0.000 0.247 186 D C -0.442 175.966 176.300 0.181 0.000 1.050 186 D CA -0.613 53.445 54.000 0.096 0.000 0.839 186 D CB 2.496 43.332 40.800 0.060 0.000 1.283 186 D HN -0.144 nan 8.370 nan 0.000 0.477 187 L N 2.538 123.781 121.223 0.034 0.000 2.282 187 L HA 0.281 4.621 4.340 -0.000 0.000 0.288 187 L C -1.177 175.742 176.870 0.081 0.000 1.033 187 L CA -0.573 54.336 54.840 0.114 0.000 0.807 187 L CB 0.353 42.426 42.059 0.024 0.000 1.209 187 L HN 0.244 nan 8.230 nan 0.000 0.423 188 Y N 4.420 124.754 120.300 0.057 0.000 2.593 188 Y HA 0.388 4.938 4.550 -0.000 0.000 0.331 188 Y C 0.063 176.044 175.900 0.135 0.000 0.986 188 Y CA -1.035 57.123 58.100 0.097 0.000 1.262 188 Y CB 0.938 39.481 38.460 0.137 0.000 1.098 188 Y HN 0.199 nan 8.280 nan 0.000 0.506 189 V N 2.852 122.887 119.914 0.202 0.000 2.455 189 V HA 0.595 4.715 4.120 -0.000 0.000 0.273 189 V C 0.710 176.958 176.094 0.258 0.000 1.045 189 V CA -0.511 61.909 62.300 0.201 0.000 0.976 189 V CB 0.732 32.636 31.823 0.135 0.000 0.993 189 V HN 0.867 nan 8.190 nan 0.000 0.475 190 G N 3.309 112.244 108.800 0.225 0.000 2.544 190 G HA2 0.652 4.612 3.960 -0.000 0.000 0.313 190 G HA3 0.652 4.612 3.960 -0.000 0.000 0.313 190 G C -0.373 174.609 174.900 0.137 0.000 1.316 190 G CA -0.165 45.033 45.100 0.164 0.000 0.944 190 G HN 0.916 nan 8.290 nan 0.000 0.489 191 S N 0.498 116.240 115.700 0.071 0.000 2.671 191 S HA 0.614 5.084 4.470 -0.000 0.000 0.299 191 S C -0.680 173.891 174.600 -0.049 0.000 1.116 191 S CA -0.807 57.431 58.200 0.063 0.000 0.912 191 S CB 2.740 66.094 63.200 0.256 0.000 1.130 191 S HN 0.283 nan 8.310 nan 0.000 0.501 192 D N 0.606 121.002 120.400 -0.007 0.000 2.538 192 D HA 0.347 4.987 4.640 -0.000 0.000 0.231 192 D C 0.114 176.410 176.300 -0.007 0.000 1.229 192 D CA -0.041 53.944 54.000 -0.026 0.000 0.828 192 D CB 0.214 41.005 40.800 -0.015 0.000 1.035 192 D HN 0.454 nan 8.370 nan 0.000 0.495 193 L N 0.767 122.002 121.223 0.020 0.000 2.466 193 L HA 0.162 4.502 4.340 -0.000 0.000 0.257 193 L C 1.132 178.024 176.870 0.037 0.000 1.189 193 L CA -0.356 54.515 54.840 0.051 0.000 0.813 193 L CB 0.556 42.687 42.059 0.121 0.000 1.118 193 L HN -0.029 nan 8.230 nan 0.000 0.471 194 E N 1.793 122.019 120.200 0.043 0.000 2.360 194 E HA 0.016 4.366 4.350 -0.000 0.000 0.269 194 E C 1.073 177.718 176.600 0.074 0.000 1.022 194 E CA -0.346 56.075 56.400 0.034 0.000 0.887 194 E CB 1.184 30.900 29.700 0.026 0.000 0.990 194 E HN 0.593 nan 8.360 nan 0.000 0.426 195 I N 3.161 123.775 120.570 0.072 0.000 2.141 195 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 195 I C 1.956 178.165 176.117 0.153 0.000 1.035 195 I CA 2.228 63.611 61.300 0.138 0.000 1.302 195 I CB -1.201 36.865 38.000 0.110 0.000 1.006 195 I HN 0.586 nan 8.210 nan 0.000 0.413 196 G N 0.265 109.122 108.800 0.095 0.000 2.556 196 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.220 196 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.220 196 G C 1.578 176.527 174.900 0.082 0.000 1.156 196 G CA 1.372 46.517 45.100 0.076 0.000 0.766 196 G HN 0.716 nan 8.290 nan 0.000 0.583 197 Q N -0.917 118.938 119.800 0.091 0.000 2.083 197 Q HA -0.056 4.284 4.340 -0.000 0.000 0.198 197 Q C 2.276 178.349 176.000 0.121 0.000 0.969 197 Q CA 1.191 57.046 55.803 0.086 0.000 0.838 197 Q CB -0.300 28.483 28.738 0.075 0.000 0.900 197 Q HN 0.713 nan 8.270 nan 0.000 0.436 198 H N 1.667 120.772 119.070 0.060 0.000 2.265 198 H HA -0.113 4.443 4.556 -0.000 0.000 0.295 198 H C 2.027 177.406 175.328 0.085 0.000 1.084 198 H CA 2.065 58.160 56.048 0.077 0.000 1.261 198 H CB 0.077 29.888 29.762 0.082 0.000 1.360 198 H HN 0.035 nan 8.280 nan 0.000 0.487 199 R N -0.690 119.831 120.500 0.036 0.000 2.140 199 R HA -0.161 4.179 4.340 -0.000 0.000 0.250 199 R C 2.307 178.589 176.300 -0.030 0.000 1.150 199 R CA 2.058 58.142 56.100 -0.026 0.000 0.966 199 R CB -0.970 29.367 30.300 0.061 0.000 0.869 199 R HN 0.471 nan 8.270 nan 0.000 0.445 200 T N 1.081 115.642 114.554 0.013 0.000 2.732 200 T HA -0.108 4.242 4.350 -0.000 0.000 0.261 200 T C 1.783 176.506 174.700 0.038 0.000 1.040 200 T CA 1.335 63.451 62.100 0.027 0.000 1.145 200 T CB -0.160 68.730 68.868 0.035 0.000 0.866 200 T HN 0.095 nan 8.240 nan 0.000 0.427 201 K N 1.179 121.604 120.400 0.042 0.000 2.074 201 K HA -0.083 4.237 4.320 -0.000 0.000 0.209 201 K C 2.009 178.689 176.600 0.133 0.000 1.048 201 K CA 1.188 57.532 56.287 0.094 0.000 0.926 201 K CB -0.707 31.856 32.500 0.105 0.000 0.713 201 K HN 0.207 nan 8.250 nan 0.000 0.444 202 I N 0.736 121.292 120.570 -0.023 0.000 2.113 202 I HA -0.208 3.962 4.170 -0.000 0.000 0.238 202 I C 2.140 178.270 176.117 0.021 0.000 1.070 202 I CA 1.580 62.852 61.300 -0.046 0.000 1.332 202 I CB -1.225 36.659 38.000 -0.193 0.000 1.044 202 I HN 0.349 nan 8.210 nan 0.000 0.402 203 E N 0.987 121.199 120.200 0.020 0.000 2.472 203 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 203 E C 1.958 178.613 176.600 0.092 0.000 1.046 203 E CA 0.793 57.219 56.400 0.043 0.000 0.871 203 E CB -0.067 29.653 29.700 0.033 0.000 0.806 203 E HN 0.437 nan 8.360 nan 0.000 0.533 204 E N -0.578 119.708 120.200 0.143 0.000 2.033 204 E HA -0.136 4.214 4.350 -0.000 0.000 0.189 204 E C 1.800 178.606 176.600 0.342 0.000 0.979 204 E CA 0.846 57.377 56.400 0.218 0.000 0.802 204 E CB -0.060 29.775 29.700 0.224 0.000 0.763 204 E HN 0.343 nan 8.360 nan 0.000 0.449 205 L N 1.643 123.077 121.223 0.352 0.000 2.017 205 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 205 L C 2.179 179.054 176.870 0.008 0.000 1.073 205 L CA 1.661 56.506 54.840 0.008 0.000 0.745 205 L CB -0.559 41.270 42.059 -0.384 0.000 0.894 205 L HN 0.011 nan 8.230 nan 0.000 0.432 206 R N -0.287 120.224 120.500 0.017 0.000 2.113 206 R HA -0.229 4.111 4.340 -0.000 0.000 0.244 206 R C 2.248 178.575 176.300 0.044 0.000 1.142 206 R CA 2.190 58.293 56.100 0.006 0.000 0.953 206 R CB -0.638 29.667 30.300 0.009 0.000 0.860 206 R HN 0.620 nan 8.270 nan 0.000 0.438 207 Q N -1.350 118.508 119.800 0.096 0.000 2.331 207 Q HA -0.103 4.237 4.340 -0.000 0.000 0.203 207 Q C 1.830 177.940 176.000 0.185 0.000 0.944 207 Q CA 0.511 56.380 55.803 0.110 0.000 0.892 207 Q CB 0.009 28.807 28.738 0.099 0.000 0.983 207 Q HN 0.383 nan 8.270 nan 0.000 0.482 208 H N 1.210 120.357 119.070 0.128 0.000 2.270 208 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 208 H C 1.727 177.181 175.328 0.211 0.000 1.077 208 H CA 1.862 58.034 56.048 0.207 0.000 1.294 208 H CB -0.436 29.487 29.762 0.270 0.000 1.371 208 H HN 0.128 nan 8.280 nan 0.000 0.491 209 L N -0.380 120.800 121.223 -0.071 0.000 1.997 209 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 209 L C 2.744 179.631 176.870 0.027 0.000 1.074 209 L CA 1.544 56.316 54.840 -0.114 0.000 0.763 209 L CB -0.854 41.150 42.059 -0.092 0.000 0.890 209 L HN 0.286 nan 8.230 nan 0.000 0.434 210 L N 0.923 122.169 121.223 0.038 0.000 2.043 210 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 210 L C 2.681 179.586 176.870 0.057 0.000 1.075 210 L CA 1.902 56.769 54.840 0.044 0.000 0.752 210 L CB -0.535 41.543 42.059 0.033 0.000 0.891 210 L HN 0.320 nan 8.230 nan 0.000 0.432 211 R N -2.590 117.949 120.500 0.065 0.000 2.319 211 R HA -0.080 4.260 4.340 -0.000 0.000 0.204 211 R C 1.027 177.283 176.300 -0.074 0.000 0.954 211 R CA 0.643 56.734 56.100 -0.015 0.000 1.066 211 R CB -0.735 29.539 30.300 -0.043 0.000 0.991 211 R HN 0.517 nan 8.270 nan 0.000 0.486 212 W N -0.526 120.765 121.300 -0.016 0.000 2.702 212 W HA 0.341 5.001 4.660 -0.000 0.000 0.369 212 W C 0.886 177.400 176.519 -0.007 0.000 0.987 212 W CA 0.226 57.557 57.345 -0.023 0.000 1.702 212 W CB 1.680 31.079 29.460 -0.101 0.000 1.138 212 W HN 0.424 nan 8.180 nan 0.000 0.552 213 G N 0.209 109.139 108.800 0.216 0.000 2.799 213 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.200 213 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.200 213 G C 0.112 175.071 174.900 0.100 0.000 1.206 213 G CA -0.411 44.784 45.100 0.158 0.000 0.827 213 G HN -0.061 nan 8.290 nan 0.000 0.511 214 L N 3.419 124.696 121.223 0.089 0.000 2.698 214 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 214 L C 0.338 177.199 176.870 -0.016 0.000 1.154 214 L CA 0.389 55.242 54.840 0.020 0.000 0.964 214 L CB -0.187 41.876 42.059 0.007 0.000 1.272 214 L HN 0.245 nan 8.230 nan 0.000 0.483 215 T N 1.823 116.353 114.554 -0.040 0.000 2.869 215 T HA 0.368 4.718 4.350 -0.000 0.000 0.295 215 T C 0.582 175.233 174.700 -0.081 0.000 0.987 215 T CA -0.445 61.628 62.100 -0.045 0.000 1.109 215 T CB 1.092 69.936 68.868 -0.039 0.000 0.932 215 T HN 0.716 nan 8.240 nan 0.000 0.518 216 T N 0.287 114.801 114.554 -0.066 0.000 2.906 216 T HA 0.390 4.740 4.350 -0.000 0.000 0.302 216 T C -1.906 172.756 174.700 -0.063 0.000 1.002 216 T CA -1.808 60.242 62.100 -0.083 0.000 0.988 216 T CB 1.805 70.626 68.868 -0.079 0.000 0.972 216 T HN 0.268 nan 8.240 nan 0.000 0.447 217 P HA 0.005 nan 4.420 nan 0.000 0.236 217 P C 0.001 177.272 177.300 -0.048 0.000 1.172 217 P CA 0.364 63.431 63.100 -0.054 0.000 0.759 217 P CB -0.088 31.574 31.700 -0.063 0.000 0.843 218 D N 0.855 121.224 120.400 -0.052 0.000 2.801 218 D HA -0.051 4.589 4.640 -0.000 0.000 0.249 218 D C 0.795 177.082 176.300 -0.022 0.000 1.273 218 D CA 0.693 54.668 54.000 -0.042 0.000 0.953 218 D CB -0.835 39.938 40.800 -0.046 0.000 1.134 218 D HN 0.231 nan 8.370 nan 0.000 0.449 219 K N 0.999 121.389 120.400 -0.017 0.000 3.000 219 K HA 0.058 4.378 4.320 -0.000 0.000 0.239 219 K C 1.336 177.940 176.600 0.007 0.000 1.269 219 K CA -0.309 55.984 56.287 0.009 0.000 1.220 219 K CB 0.101 32.603 32.500 0.004 0.000 1.645 219 K HN -0.107 nan 8.250 nan 0.000 0.423 220 K N 0.994 121.377 120.400 -0.028 0.000 2.077 220 K HA -0.232 4.088 4.320 -0.000 0.000 0.213 220 K C 0.431 176.971 176.600 -0.100 0.000 1.051 220 K CA 2.144 58.341 56.287 -0.151 0.000 0.929 220 K CB -0.003 32.284 32.500 -0.355 0.000 0.715 220 K HN 0.751 nan 8.250 nan 0.000 0.451 221 H N -5.058 113.988 119.070 -0.041 0.000 2.917 221 H HA 0.369 4.925 4.556 -0.000 0.000 0.269 221 H C -1.160 174.144 175.328 -0.039 0.000 1.488 221 H CA -1.647 54.371 56.048 -0.049 0.000 1.173 221 H CB 0.702 30.424 29.762 -0.067 0.000 1.868 221 H HN -0.209 nan 8.280 nan 0.000 0.600 222 Q N -0.150 119.655 119.800 0.009 0.000 2.445 222 Q HA 0.322 4.662 4.340 -0.000 0.000 0.281 222 Q C 0.295 176.183 176.000 -0.187 0.000 1.101 222 Q CA -1.021 54.732 55.803 -0.084 0.000 0.833 222 Q CB 1.625 30.341 28.738 -0.036 0.000 1.416 222 Q HN 0.553 nan 8.270 nan 0.000 0.451 223 K N 0.536 120.854 120.400 -0.136 0.000 2.588 223 K HA -0.144 4.176 4.320 -0.000 0.000 0.196 223 K C -0.523 176.005 176.600 -0.120 0.000 1.044 223 K CA 0.982 57.190 56.287 -0.132 0.000 0.934 223 K CB -0.036 32.416 32.500 -0.080 0.000 0.773 223 K HN 0.404 nan 8.250 nan 0.000 0.489 224 E N 1.507 121.637 120.200 -0.116 0.000 2.109 224 E HA 0.159 4.509 4.350 -0.000 0.000 0.278 224 E C -2.523 174.020 176.600 -0.095 0.000 0.954 224 E CA -2.154 54.197 56.400 -0.083 0.000 0.779 224 E CB 1.234 30.901 29.700 -0.056 0.000 1.093 224 E HN -0.065 nan 8.360 nan 0.000 0.401 225 P HA 0.177 nan 4.420 nan 0.000 0.258 225 P C -2.043 175.259 177.300 0.003 0.000 1.647 225 P CA -1.164 61.907 63.100 -0.048 0.000 1.099 225 P CB 0.281 31.955 31.700 -0.044 0.000 1.604 226 P HA 0.172 nan 4.420 nan 0.000 0.259 226 P C -0.219 176.900 177.300 -0.301 0.000 1.530 226 P CA -0.668 62.375 63.100 -0.095 0.000 1.022 226 P CB -0.412 31.182 31.700 -0.177 0.000 1.514 227 F N -2.522 117.344 119.950 -0.140 0.000 2.905 227 F HA -0.218 4.309 4.527 -0.000 0.000 0.311 227 F C -1.091 174.462 175.800 -0.413 0.000 1.005 227 F CA -0.769 57.071 58.000 -0.268 0.000 1.029 227 F CB -2.489 36.383 39.000 -0.214 0.000 1.151 227 F HN 0.007 nan 8.300 nan 0.000 0.805 228 L N 1.931 122.932 121.223 -0.370 0.000 2.357 228 L HA 0.625 4.965 4.340 -0.000 0.000 0.273 228 L C -0.261 176.278 176.870 -0.552 0.000 1.080 228 L CA -1.299 53.302 54.840 -0.398 0.000 0.803 228 L CB 0.605 42.528 42.059 -0.226 0.000 1.174 228 L HN 0.318 nan 8.230 nan 0.000 0.443 229 W N 5.641 126.906 121.300 -0.058 0.000 2.485 229 W HA 0.262 4.922 4.660 -0.000 0.000 0.315 229 W C 0.207 176.653 176.519 -0.120 0.000 1.304 229 W CA -0.812 56.495 57.345 -0.063 0.000 1.345 229 W CB 0.156 29.578 29.460 -0.065 0.000 1.368 229 W HN 0.288 nan 8.180 nan 0.000 0.497 230 M N 2.888 122.543 119.600 0.092 0.000 2.247 230 M HA 0.029 4.509 4.480 -0.000 0.000 0.318 230 M C 1.270 177.605 176.300 0.059 0.000 1.054 230 M CA 0.062 55.399 55.300 0.062 0.000 1.117 230 M CB -0.781 31.889 32.600 0.117 0.000 1.515 230 M HN 0.718 nan 8.290 nan 0.000 0.442 231 G N 2.743 111.578 108.800 0.059 0.000 2.938 231 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.324 231 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.324 231 G C -0.157 174.798 174.900 0.091 0.000 0.220 231 G CA -0.059 45.093 45.100 0.086 0.000 1.222 231 G HN 0.780 nan 8.290 nan 0.000 0.274 232 Y N 1.969 122.283 120.300 0.024 0.000 3.238 232 Y HA 0.083 4.633 4.550 -0.000 0.000 0.368 232 Y C 1.197 177.103 175.900 0.010 0.000 1.038 232 Y CA 0.004 58.111 58.100 0.012 0.000 2.088 232 Y CB -0.441 37.993 38.460 -0.042 0.000 2.293 232 Y HN 0.574 nan 8.280 nan 0.000 0.402 233 E N 2.435 122.723 120.200 0.147 0.000 2.089 233 E HA 0.304 4.653 4.350 -0.000 0.000 0.284 233 E C -0.727 175.713 176.600 -0.266 0.000 1.023 233 E CA -0.285 56.114 56.400 -0.000 0.000 0.819 233 E CB 0.844 30.598 29.700 0.091 0.000 1.076 233 E HN 0.408 nan 8.360 nan 0.000 0.396 234 L N 2.942 124.004 121.223 -0.268 0.000 2.352 234 L HA 0.433 4.773 4.340 -0.000 0.000 0.269 234 L C 0.183 176.561 176.870 -0.820 0.000 1.034 234 L CA -0.930 53.758 54.840 -0.254 0.000 0.806 234 L CB 0.942 43.095 42.059 0.156 0.000 1.244 234 L HN 0.528 nan 8.230 nan 0.000 0.447 235 H N 1.599 120.386 119.070 -0.471 0.000 2.488 235 H HA 0.174 4.730 4.556 -0.000 0.000 0.237 235 H C -2.063 172.526 175.328 -1.231 0.000 1.395 235 H CA -1.542 54.156 56.048 -0.583 0.000 1.491 235 H CB 0.883 30.468 29.762 -0.295 0.000 1.567 235 H HN 0.400 nan 8.280 nan 0.000 0.508 236 P HA -0.096 nan 4.420 nan 0.000 0.239 236 P C 0.455 177.330 177.300 -0.708 0.000 1.184 236 P CA 0.740 62.818 63.100 -1.705 0.000 0.760 236 P CB 0.211 31.410 31.700 -0.835 0.000 0.884 237 D N -1.317 118.825 120.400 -0.431 0.000 2.354 237 D HA -0.033 4.607 4.640 -0.000 0.000 0.209 237 D C 1.438 177.683 176.300 -0.092 0.000 1.015 237 D CA 0.524 54.413 54.000 -0.183 0.000 0.867 237 D CB -0.217 40.504 40.800 -0.132 0.000 0.933 237 D HN -0.009 nan 8.370 nan 0.000 0.520 238 K N -0.329 120.007 120.400 -0.106 0.000 2.358 238 K HA 0.098 4.418 4.320 -0.000 0.000 0.200 238 K C -0.200 176.573 176.600 0.289 0.000 1.030 238 K CA -0.361 55.964 56.287 0.064 0.000 1.097 238 K CB 0.139 32.678 32.500 0.065 0.000 0.862 238 K HN 0.293 nan 8.250 nan 0.000 0.534 239 W N 2.594 123.917 121.300 0.039 0.000 2.381 239 W HA 0.018 4.678 4.660 -0.000 0.000 0.321 239 W C 0.183 176.708 176.519 0.011 0.000 1.407 239 W CA 0.092 57.453 57.345 0.027 0.000 1.274 239 W CB 0.519 29.979 29.460 0.000 0.000 1.310 239 W HN -0.111 nan 8.180 nan 0.000 0.551 240 T N 0.834 115.526 114.554 0.231 0.000 2.654 240 T HA 0.430 4.780 4.350 -0.000 0.000 0.303 240 T C -1.257 173.482 174.700 0.064 0.000 1.656 240 T CA -0.776 61.397 62.100 0.121 0.000 0.971 240 T CB 1.692 70.625 68.868 0.109 0.000 1.811 240 T HN 0.247 nan 8.240 nan 0.000 0.483 241 V N 1.559 121.501 119.914 0.048 0.000 2.848 241 V HA 0.507 4.627 4.120 -0.000 0.000 0.252 241 V C -1.843 174.281 176.094 0.051 0.000 1.760 241 V CA -0.178 62.139 62.300 0.030 0.000 0.901 241 V CB 1.841 33.648 31.823 -0.028 0.000 1.324 241 V HN 1.126 nan 8.190 nan 0.000 0.464 242 Q N 4.377 124.215 119.800 0.063 0.000 1.986 242 Q HA 0.461 4.801 4.340 -0.000 0.000 0.225 242 Q C -2.549 173.510 176.000 0.097 0.000 0.836 242 Q CA -0.409 55.447 55.803 0.088 0.000 1.008 242 Q CB 0.991 29.776 28.738 0.078 0.000 1.253 242 Q HN 0.498 nan 8.270 nan 0.000 0.415 243 P HA 0.057 nan 4.420 nan 0.000 0.279 243 P C -0.493 176.900 177.300 0.154 0.000 1.451 243 P CA 0.580 63.745 63.100 0.108 0.000 0.783 243 P CB -0.223 31.534 31.700 0.094 0.000 1.490 244 I N -1.314 119.355 120.570 0.166 0.000 2.882 244 I HA 0.027 4.196 4.170 -0.000 0.000 0.276 244 I C 0.576 176.763 176.117 0.116 0.000 1.096 244 I CA -0.316 61.103 61.300 0.199 0.000 1.872 244 I CB -0.455 37.663 38.000 0.197 0.000 1.383 244 I HN -0.154 nan 8.210 nan 0.000 0.758 245 V N 5.345 125.329 119.914 0.118 0.000 2.389 245 V HA 0.276 4.396 4.120 -0.000 0.000 0.264 245 V C 0.337 176.484 176.094 0.088 0.000 1.049 245 V CA -0.337 62.016 62.300 0.089 0.000 0.932 245 V CB 0.631 32.506 31.823 0.086 0.000 1.011 245 V HN 0.361 nan 8.190 nan 0.000 0.475 246 L N 8.199 129.466 121.223 0.073 0.000 2.399 246 L HA 0.535 4.875 4.340 -0.000 0.000 0.266 246 L C -2.125 174.829 176.870 0.139 0.000 1.114 246 L CA -1.713 53.186 54.840 0.097 0.000 0.804 246 L CB 1.008 43.103 42.059 0.060 0.000 1.146 246 L HN 0.468 nan 8.230 nan 0.000 0.451 247 P HA 0.185 nan 4.420 nan 0.000 0.290 247 P C -1.102 176.370 177.300 0.288 0.000 1.276 247 P CA -0.605 62.596 63.100 0.168 0.000 0.808 247 P CB 0.612 32.357 31.700 0.075 0.000 0.966 248 E N 2.853 123.168 120.200 0.191 0.000 1.986 248 E HA 0.260 4.610 4.350 -0.000 0.000 0.264 248 E C -0.625 176.063 176.600 0.148 0.000 1.023 248 E CA -0.793 55.756 56.400 0.247 0.000 0.834 248 E CB 0.392 30.179 29.700 0.146 0.000 1.111 248 E HN 0.310 nan 8.360 nan 0.000 0.417 249 K N 2.384 122.860 120.400 0.127 0.000 2.090 249 K HA 0.141 4.461 4.320 -0.000 0.000 0.250 249 K C 0.279 176.829 176.600 -0.083 0.000 1.004 249 K CA -0.721 55.419 56.287 -0.245 0.000 0.919 249 K CB 0.953 32.830 32.500 -1.037 0.000 1.045 249 K HN 0.353 nan 8.250 nan 0.000 0.471 250 D N 0.366 120.678 120.400 -0.146 0.000 2.110 250 D HA -0.085 4.555 4.640 -0.000 0.000 0.202 250 D C 0.529 176.805 176.300 -0.040 0.000 0.975 250 D CA 1.267 55.237 54.000 -0.051 0.000 0.839 250 D CB 0.113 40.876 40.800 -0.061 0.000 0.996 250 D HN 0.517 nan 8.370 nan 0.000 0.464 251 S N -0.974 114.619 115.700 -0.178 0.000 2.568 251 S HA 0.554 5.024 4.470 -0.000 0.000 0.293 251 S C -1.424 172.955 174.600 -0.370 0.000 1.089 251 S CA -0.982 57.148 58.200 -0.117 0.000 0.945 251 S CB 1.568 64.731 63.200 -0.062 0.000 1.077 251 S HN 0.143 nan 8.310 nan 0.000 0.485 252 W N 1.483 122.779 121.300 -0.007 0.000 2.538 252 W HA 0.554 5.214 4.660 -0.000 0.000 0.322 252 W C 0.580 177.094 176.519 -0.008 0.000 1.028 252 W CA -0.422 56.918 57.345 -0.008 0.000 1.228 252 W CB 1.854 31.308 29.460 -0.011 0.000 1.356 252 W HN 0.938 nan 8.180 nan 0.000 0.452 253 T N -1.797 112.833 114.554 0.126 0.000 2.897 253 T HA 0.324 4.674 4.350 -0.000 0.000 0.278 253 T C 0.874 175.639 174.700 0.109 0.000 0.981 253 T CA -0.680 61.470 62.100 0.083 0.000 0.973 253 T CB 1.115 69.995 68.868 0.021 0.000 1.092 253 T HN 0.170 nan 8.240 nan 0.000 0.543 254 V N 1.378 121.332 119.914 0.067 0.000 2.407 254 V HA -0.131 3.989 4.120 -0.000 0.000 0.248 254 V C 2.803 178.930 176.094 0.055 0.000 1.055 254 V CA 2.189 64.522 62.300 0.055 0.000 1.049 254 V CB -1.346 30.496 31.823 0.032 0.000 0.662 254 V HN 0.895 nan 8.190 nan 0.000 0.455 255 N N 0.391 119.120 118.700 0.047 0.000 2.062 255 N HA -0.155 4.585 4.740 -0.000 0.000 0.191 255 N C 1.565 177.116 175.510 0.069 0.000 1.042 255 N CA 1.607 54.681 53.050 0.041 0.000 0.845 255 N CB -0.375 38.125 38.487 0.022 0.000 1.024 255 N HN 0.421 nan 8.380 nan 0.000 0.424 256 D N 0.853 121.305 120.400 0.087 0.000 2.204 256 D HA -0.239 4.401 4.640 -0.000 0.000 0.189 256 D C 1.982 178.434 176.300 0.252 0.000 1.006 256 D CA 1.412 55.505 54.000 0.154 0.000 0.855 256 D CB -0.631 40.268 40.800 0.165 0.000 0.946 256 D HN 0.445 nan 8.370 nan 0.000 0.448 257 I N 0.584 121.308 120.570 0.255 0.000 2.099 257 I HA -0.365 3.805 4.170 -0.000 0.000 0.239 257 I C 2.363 178.526 176.117 0.077 0.000 1.066 257 I CA 1.515 62.905 61.300 0.150 0.000 1.324 257 I CB -0.179 37.867 38.000 0.077 0.000 1.037 257 I HN 0.026 nan 8.210 nan 0.000 0.401 258 Q N 0.780 120.614 119.800 0.058 0.000 2.065 258 Q HA -0.334 4.006 4.340 -0.000 0.000 0.213 258 Q C 2.237 178.253 176.000 0.027 0.000 1.012 258 Q CA 2.733 58.553 55.803 0.028 0.000 0.876 258 Q CB -0.347 28.406 28.738 0.025 0.000 0.954 258 Q HN 0.587 nan 8.270 nan 0.000 0.413 259 K N 0.149 120.578 120.400 0.048 0.000 1.971 259 K HA -0.216 4.104 4.320 -0.000 0.000 0.221 259 K C 2.121 178.745 176.600 0.040 0.000 1.050 259 K CA 1.398 57.713 56.287 0.046 0.000 0.967 259 K CB -0.674 31.864 32.500 0.063 0.000 0.733 259 K HN 0.086 nan 8.250 nan 0.000 0.445 260 L N 1.803 123.072 121.223 0.077 0.000 2.017 260 L HA -0.280 4.060 4.340 -0.000 0.000 0.234 260 L C 2.178 179.032 176.870 -0.027 0.000 1.097 260 L CA 1.790 56.657 54.840 0.045 0.000 0.816 260 L CB -0.977 41.126 42.059 0.074 0.000 0.914 260 L HN 0.068 nan 8.230 nan 0.000 0.444 261 V N 0.320 120.214 119.914 -0.034 0.000 2.613 261 V HA -0.328 3.792 4.120 -0.000 0.000 0.259 261 V C 2.450 178.501 176.094 -0.070 0.000 1.099 261 V CA 1.824 64.087 62.300 -0.061 0.000 1.115 261 V CB -1.637 30.156 31.823 -0.050 0.000 0.686 261 V HN 0.763 nan 8.190 nan 0.000 0.481 262 G N -0.277 108.492 108.800 -0.052 0.000 2.456 262 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.213 262 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.213 262 G C 1.552 176.399 174.900 -0.089 0.000 1.215 262 G CA 0.415 45.478 45.100 -0.060 0.000 0.805 262 G HN 0.408 nan 8.290 nan 0.000 0.537 263 K N 0.932 121.282 120.400 -0.084 0.000 2.044 263 K HA -0.067 4.253 4.320 -0.000 0.000 0.210 263 K C 2.451 178.856 176.600 -0.325 0.000 1.049 263 K CA 0.849 57.033 56.287 -0.170 0.000 0.927 263 K CB -1.111 31.321 32.500 -0.114 0.000 0.713 263 K HN 0.382 nan 8.250 nan 0.000 0.443 264 L N 1.661 122.745 121.223 -0.230 0.000 2.261 264 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 264 L C 2.339 179.087 176.870 -0.202 0.000 1.114 264 L CA 0.922 55.622 54.840 -0.233 0.000 0.777 264 L CB -0.606 41.355 42.059 -0.163 0.000 0.910 264 L HN 0.278 nan 8.230 nan 0.000 0.440 265 N N -0.324 118.276 118.700 -0.165 0.000 2.376 265 N HA -0.181 4.559 4.740 -0.000 0.000 0.177 265 N C 1.722 177.208 175.510 -0.040 0.000 1.024 265 N CA 0.868 53.846 53.050 -0.120 0.000 0.893 265 N CB 0.000 38.403 38.487 -0.140 0.000 0.980 265 N HN 0.499 nan 8.380 nan 0.000 0.439 266 W N 1.027 122.069 121.300 -0.431 0.000 2.770 266 W HA 0.163 4.823 4.660 -0.000 0.000 0.256 266 W C 1.927 177.975 176.519 -0.784 0.000 1.291 266 W CA 0.353 57.404 57.345 -0.491 0.000 1.396 266 W CB 0.324 29.600 29.460 -0.306 0.000 1.114 266 W HN 0.068 nan 8.180 nan 0.000 0.637 267 A N -0.456 121.979 122.820 -0.643 0.000 2.131 267 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 267 A C 1.792 179.354 177.584 -0.038 0.000 1.158 267 A CA 1.818 53.587 52.037 -0.446 0.000 0.665 267 A CB -0.985 17.790 19.000 -0.374 0.000 0.795 267 A HN 0.230 nan 8.150 nan 0.000 0.460 268 S N -1.124 114.587 115.700 0.018 0.000 2.420 268 S HA -0.230 4.240 4.470 -0.000 0.000 0.237 268 S C 1.927 176.555 174.600 0.048 0.000 1.023 268 S CA 1.949 60.199 58.200 0.083 0.000 0.991 268 S CB -0.178 63.093 63.200 0.118 0.000 0.792 268 S HN 0.641 nan 8.310 nan 0.000 0.488 269 Q N -0.150 119.569 119.800 -0.134 0.000 2.247 269 Q HA 0.394 4.733 4.340 -0.000 0.000 0.211 269 Q C 1.334 177.142 176.000 -0.321 0.000 0.861 269 Q CA 0.201 55.752 55.803 -0.420 0.000 0.949 269 Q CB -0.061 27.992 28.738 -1.142 0.000 1.115 269 Q HN 0.715 nan 8.270 nan 0.000 0.507 270 I N -1.135 119.382 120.570 -0.090 0.000 2.927 270 I HA 0.136 4.306 4.170 -0.000 0.000 0.268 270 I C -0.671 175.331 176.117 -0.193 0.000 1.153 270 I CA 0.358 61.680 61.300 0.037 0.000 1.459 270 I CB 0.619 38.884 38.000 0.441 0.000 1.149 270 I HN 0.010 nan 8.210 nan 0.000 0.443 271 Y N 1.911 122.218 120.300 0.012 0.000 2.475 271 Y HA 0.392 4.942 4.550 -0.000 0.000 0.343 271 Y C -2.042 173.847 175.900 -0.018 0.000 1.068 271 Y CA -1.923 56.180 58.100 0.005 0.000 1.307 271 Y CB 0.562 39.026 38.460 0.007 0.000 1.097 271 Y HN -0.009 nan 8.280 nan 0.000 0.530 272 P HA -0.079 nan 4.420 nan 0.000 0.242 272 P C 1.177 178.510 177.300 0.056 0.000 1.198 272 P CA 0.887 64.023 63.100 0.060 0.000 0.756 272 P CB 0.072 31.794 31.700 0.036 0.000 0.911 273 G N 0.008 108.859 108.800 0.084 0.000 2.920 273 G HA2 0.077 4.037 3.960 -0.000 0.000 0.208 273 G HA3 0.077 4.037 3.960 -0.000 0.000 0.208 273 G C 0.686 175.591 174.900 0.008 0.000 1.159 273 G CA -0.092 45.039 45.100 0.052 0.000 0.784 273 G HN 0.279 nan 8.290 nan 0.000 0.535 274 I N 0.946 121.507 120.570 -0.015 0.000 2.382 274 I HA 0.314 4.484 4.170 -0.000 0.000 0.285 274 I C -0.607 175.477 176.117 -0.056 0.000 1.007 274 I CA -0.873 60.395 61.300 -0.052 0.000 1.142 274 I CB 1.521 39.462 38.000 -0.097 0.000 1.289 274 I HN -0.100 nan 8.210 nan 0.000 0.453 275 K N 4.336 124.706 120.400 -0.049 0.000 2.270 275 K HA 0.282 4.602 4.320 -0.000 0.000 0.276 275 K C 0.848 177.410 176.600 -0.064 0.000 1.023 275 K CA -0.369 55.888 56.287 -0.049 0.000 0.955 275 K CB 1.903 34.379 32.500 -0.039 0.000 0.975 275 K HN 0.647 nan 8.250 nan 0.000 0.471 276 V N -0.980 118.895 119.914 -0.065 0.000 3.502 276 V HA 0.016 4.136 4.120 -0.000 0.000 0.288 276 V C 1.476 177.532 176.094 -0.064 0.000 1.461 276 V CA -0.356 61.900 62.300 -0.074 0.000 1.029 276 V CB -0.026 31.749 31.823 -0.080 0.000 0.843 276 V HN 0.657 nan 8.190 nan 0.000 0.438 277 R N 1.287 121.755 120.500 -0.054 0.000 2.153 277 R HA -0.289 4.051 4.340 -0.000 0.000 0.252 277 R C 2.013 178.284 176.300 -0.048 0.000 1.158 277 R CA 2.268 58.340 56.100 -0.046 0.000 0.975 277 R CB -0.980 29.297 30.300 -0.039 0.000 0.871 277 R HN 0.616 nan 8.270 nan 0.000 0.450 278 Q N 0.692 120.460 119.800 -0.054 0.000 2.172 278 Q HA 0.070 4.410 4.340 -0.000 0.000 0.200 278 Q C 2.023 177.981 176.000 -0.070 0.000 0.964 278 Q CA 1.087 56.855 55.803 -0.058 0.000 0.855 278 Q CB 0.017 28.718 28.738 -0.061 0.000 0.918 278 Q HN 0.427 nan 8.270 nan 0.000 0.444 279 L N -0.788 120.386 121.223 -0.081 0.000 2.189 279 L HA -0.018 4.322 4.340 -0.000 0.000 0.199 279 L C 2.271 179.099 176.870 -0.069 0.000 1.074 279 L CA 1.010 55.792 54.840 -0.095 0.000 0.783 279 L CB -0.422 41.564 42.059 -0.122 0.000 0.955 279 L HN 0.323 nan 8.230 nan 0.000 0.460 280 S N 0.678 116.341 115.700 -0.062 0.000 2.419 280 S HA -0.262 4.208 4.470 -0.000 0.000 0.235 280 S C 1.813 176.390 174.600 -0.038 0.000 1.019 280 S CA 1.551 59.722 58.200 -0.048 0.000 0.982 280 S CB -0.526 62.645 63.200 -0.050 0.000 0.789 280 S HN 0.528 nan 8.310 nan 0.000 0.490 281 K N 0.722 121.098 120.400 -0.040 0.000 2.211 281 K HA 0.055 4.375 4.320 -0.000 0.000 0.203 281 K C 1.782 178.366 176.600 -0.027 0.000 1.050 281 K CA 1.046 57.314 56.287 -0.032 0.000 0.945 281 K CB -0.570 31.910 32.500 -0.032 0.000 0.732 281 K HN 0.379 nan 8.250 nan 0.000 0.451 282 L N 1.310 122.515 121.223 -0.030 0.000 2.711 282 L HA 0.149 4.489 4.340 -0.000 0.000 0.242 282 L C 0.618 177.481 176.870 -0.012 0.000 1.153 282 L CA 0.984 55.811 54.840 -0.022 0.000 0.898 282 L CB -0.057 41.985 42.059 -0.029 0.000 1.044 282 L HN 0.284 nan 8.230 nan 0.000 0.437 283 L N -1.501 119.714 121.223 -0.014 0.000 3.386 283 L HA 0.205 4.545 4.340 -0.000 0.000 0.307 283 L C 1.886 178.749 176.870 -0.011 0.000 1.235 283 L CA -0.095 54.740 54.840 -0.009 0.000 1.056 283 L CB 0.014 42.067 42.059 -0.009 0.000 1.453 283 L HN 0.221 nan 8.230 nan 0.000 0.615 284 R N 0.848 121.339 120.500 -0.014 0.000 2.293 284 R HA 0.025 4.365 4.340 -0.000 0.000 0.219 284 R C 0.864 177.158 176.300 -0.010 0.000 1.091 284 R CA 0.957 57.048 56.100 -0.014 0.000 1.004 284 R CB -0.216 30.075 30.300 -0.015 0.000 0.865 284 R HN 0.170 nan 8.270 nan 0.000 0.469 285 G N 0.100 108.896 108.800 -0.007 0.000 2.451 285 G HA2 0.248 4.208 3.960 -0.000 0.000 0.303 285 G HA3 0.248 4.208 3.960 -0.000 0.000 0.303 285 G C -0.264 174.635 174.900 -0.003 0.000 1.166 285 G CA -0.381 44.716 45.100 -0.004 0.000 0.884 285 G HN 0.269 nan 8.290 nan 0.000 0.514 286 T N -1.106 113.447 114.554 -0.002 0.000 3.389 286 T HA 0.374 4.724 4.350 -0.000 0.000 0.238 286 T C 0.413 175.113 174.700 0.001 0.000 1.178 286 T CA -0.574 61.526 62.100 -0.001 0.000 1.117 286 T CB -0.412 68.455 68.868 -0.002 0.000 1.177 286 T HN 0.422 nan 8.240 nan 0.000 0.653 287 K N 0.999 121.401 120.400 0.003 0.000 2.117 287 K HA 0.718 5.038 4.320 -0.000 0.000 0.240 287 K C 0.888 177.491 176.600 0.006 0.000 1.031 287 K CA -0.929 55.361 56.287 0.005 0.000 0.909 287 K CB 0.525 33.030 32.500 0.007 0.000 1.097 287 K HN 0.403 nan 8.250 nan 0.000 0.492 288 A N 0.697 123.521 122.820 0.007 0.000 2.387 288 A HA 0.083 4.403 4.320 -0.000 0.000 0.251 288 A C 0.931 178.520 177.584 0.009 0.000 1.113 288 A CA 0.160 52.201 52.037 0.006 0.000 0.794 288 A CB -0.108 18.895 19.000 0.006 0.000 1.069 288 A HN 0.717 nan 8.150 nan 0.000 0.506 289 L N -1.106 120.122 121.223 0.008 0.000 2.362 289 L HA 0.001 4.341 4.340 -0.000 0.000 0.204 289 L C 2.233 179.109 176.870 0.009 0.000 1.060 289 L CA 1.097 55.943 54.840 0.010 0.000 0.827 289 L CB -0.502 41.561 42.059 0.008 0.000 1.027 289 L HN 0.790 nan 8.230 nan 0.000 0.474 290 T N -0.647 113.909 114.554 0.004 0.000 3.113 290 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 290 T C 0.743 175.444 174.700 0.002 0.000 1.143 290 T CA 0.294 62.394 62.100 -0.001 0.000 1.090 290 T CB -0.273 68.593 68.868 -0.004 0.000 0.922 290 T HN 0.214 nan 8.240 nan 0.000 0.521 291 E N 2.121 122.326 120.200 0.009 0.000 2.328 291 E HA 0.123 4.473 4.350 -0.000 0.000 0.265 291 E C -0.754 175.860 176.600 0.023 0.000 1.057 291 E CA -0.301 56.107 56.400 0.013 0.000 0.916 291 E CB 0.423 30.131 29.700 0.014 0.000 0.993 291 E HN 0.020 nan 8.360 nan 0.000 0.446 292 V N 7.378 127.305 119.914 0.021 0.000 2.488 292 V HA 0.153 4.273 4.120 -0.000 0.000 0.277 292 V C 0.384 176.508 176.094 0.050 0.000 1.046 292 V CA -0.059 62.262 62.300 0.035 0.000 0.986 292 V CB 0.327 32.161 31.823 0.018 0.000 0.989 292 V HN 0.551 nan 8.190 nan 0.000 0.475 293 I N 3.274 123.891 120.570 0.077 0.000 2.542 293 I HA 0.469 4.639 4.170 -0.000 0.000 0.278 293 I C -2.023 174.152 176.117 0.097 0.000 1.069 293 I CA -1.918 59.424 61.300 0.069 0.000 1.100 293 I CB 1.537 39.566 38.000 0.049 0.000 1.204 293 I HN 0.332 nan 8.210 nan 0.000 0.470 294 P HA -0.204 nan 4.420 nan 0.000 0.211 294 P C 0.265 177.595 177.300 0.051 0.000 0.948 294 P CA 2.146 65.307 63.100 0.102 0.000 1.010 294 P CB 0.054 31.794 31.700 0.066 0.000 0.737 295 L N -7.383 113.845 121.223 0.008 0.000 2.741 295 L HA 0.769 5.109 4.340 -0.000 0.000 0.256 295 L C -0.821 176.029 176.870 -0.033 0.000 1.084 295 L CA -0.761 54.056 54.840 -0.038 0.000 1.021 295 L CB 1.480 43.502 42.059 -0.062 0.000 1.588 295 L HN 0.127 nan 8.230 nan 0.000 0.368 296 T N -4.498 110.026 114.554 -0.050 0.000 2.647 296 T HA 0.313 4.663 4.350 -0.000 0.000 0.295 296 T C 0.451 175.124 174.700 -0.045 0.000 1.126 296 T CA 0.098 62.173 62.100 -0.041 0.000 1.040 296 T CB 1.417 70.259 68.868 -0.043 0.000 1.472 296 T HN 1.037 nan 8.240 nan 0.000 0.500 297 E N 0.785 120.962 120.200 -0.038 0.000 1.954 297 E HA -0.286 4.064 4.350 -0.000 0.000 0.240 297 E C 1.215 177.788 176.600 -0.044 0.000 0.886 297 E CA 1.702 58.080 56.400 -0.036 0.000 1.118 297 E CB -0.360 29.322 29.700 -0.031 0.000 0.804 297 E HN 0.776 nan 8.360 nan 0.000 0.604 298 E N -0.471 119.702 120.200 -0.045 0.000 2.485 298 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 298 E C 1.331 177.891 176.600 -0.067 0.000 1.098 298 E CA 0.406 56.776 56.400 -0.049 0.000 0.878 298 E CB -0.084 29.591 29.700 -0.042 0.000 0.939 298 E HN 0.486 nan 8.360 nan 0.000 0.503 299 A N 1.322 124.097 122.820 -0.075 0.000 1.849 299 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 299 A C 2.041 179.547 177.584 -0.130 0.000 1.202 299 A CA 1.460 53.435 52.037 -0.103 0.000 0.629 299 A CB -0.412 18.526 19.000 -0.103 0.000 0.834 299 A HN 0.265 nan 8.150 nan 0.000 0.447 300 E N -0.276 119.851 120.200 -0.121 0.000 2.118 300 E HA -0.146 4.203 4.350 -0.000 0.000 0.195 300 E C 2.078 178.615 176.600 -0.104 0.000 0.992 300 E CA 0.950 57.273 56.400 -0.129 0.000 0.804 300 E CB -0.363 29.279 29.700 -0.095 0.000 0.741 300 E HN 0.667 nan 8.360 nan 0.000 0.458 301 L N 0.772 121.947 121.223 -0.080 0.000 2.056 301 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 301 L C 2.427 179.253 176.870 -0.074 0.000 1.078 301 L CA 0.955 55.756 54.840 -0.064 0.000 0.749 301 L CB -0.253 41.777 42.059 -0.049 0.000 0.901 301 L HN -0.019 nan 8.230 nan 0.000 0.433 302 E N 0.006 120.154 120.200 -0.086 0.000 2.265 302 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 302 E C 1.894 178.425 176.600 -0.115 0.000 0.996 302 E CA 0.964 57.309 56.400 -0.092 0.000 0.832 302 E CB -0.049 29.594 29.700 -0.095 0.000 0.756 302 E HN 0.285 nan 8.360 nan 0.000 0.491 303 L N -0.133 121.007 121.223 -0.139 0.000 2.121 303 L HA 0.167 4.507 4.340 -0.000 0.000 0.200 303 L C 2.084 178.883 176.870 -0.119 0.000 1.077 303 L CA 1.991 56.732 54.840 -0.166 0.000 0.766 303 L CB -0.953 40.959 42.059 -0.245 0.000 0.931 303 L HN -0.020 nan 8.230 nan 0.000 0.452 304 A N -0.224 122.538 122.820 -0.097 0.000 2.019 304 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 304 A C 2.118 179.670 177.584 -0.054 0.000 1.164 304 A CA 1.702 53.701 52.037 -0.063 0.000 0.644 304 A CB -0.711 18.260 19.000 -0.049 0.000 0.805 304 A HN 0.704 nan 8.150 nan 0.000 0.449 305 E N 1.541 121.705 120.200 -0.060 0.000 2.158 305 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 305 E C 1.426 177.990 176.600 -0.060 0.000 0.982 305 E CA 1.635 58.005 56.400 -0.049 0.000 0.823 305 E CB -0.624 29.049 29.700 -0.046 0.000 0.766 305 E HN 0.720 nan 8.360 nan 0.000 0.468 306 N N 0.327 118.977 118.700 -0.083 0.000 2.250 306 N HA -0.130 4.610 4.740 -0.000 0.000 0.181 306 N C 1.726 177.168 175.510 -0.113 0.000 1.017 306 N CA 0.960 53.945 53.050 -0.108 0.000 0.866 306 N CB -0.370 38.039 38.487 -0.130 0.000 0.985 306 N HN 0.052 nan 8.380 nan 0.000 0.429 307 R N 0.164 120.611 120.500 -0.088 0.000 2.355 307 R HA -0.122 4.218 4.340 -0.000 0.000 0.219 307 R C 1.806 178.077 176.300 -0.048 0.000 1.107 307 R CA 1.468 57.529 56.100 -0.064 0.000 1.021 307 R CB -0.118 30.158 30.300 -0.040 0.000 0.852 307 R HN 0.754 nan 8.270 nan 0.000 0.475 308 E N 0.311 120.483 120.200 -0.048 0.000 2.094 308 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 308 E C 1.962 178.551 176.600 -0.018 0.000 0.950 308 E CA 0.497 56.883 56.400 -0.022 0.000 0.842 308 E CB -0.492 29.201 29.700 -0.012 0.000 0.816 308 E HN 0.392 nan 8.360 nan 0.000 0.465 309 I N 0.369 120.920 120.570 -0.031 0.000 2.454 309 I HA -0.125 4.045 4.170 -0.000 0.000 0.254 309 I C 2.436 178.531 176.117 -0.036 0.000 1.156 309 I CA 1.062 62.363 61.300 0.002 0.000 1.433 309 I CB -0.150 37.856 38.000 0.010 0.000 1.082 309 I HN 0.245 nan 8.210 nan 0.000 0.432 310 L N 0.845 121.954 121.223 -0.191 0.000 2.313 310 L HA -0.021 4.319 4.340 -0.000 0.000 0.214 310 L C 2.176 178.999 176.870 -0.079 0.000 1.119 310 L CA 1.083 55.691 54.840 -0.387 0.000 0.809 310 L CB -0.284 41.535 42.059 -0.400 0.000 0.933 310 L HN 0.239 nan 8.230 nan 0.000 0.449 311 K N 0.269 120.663 120.400 -0.010 0.000 2.387 311 K HA 0.132 4.452 4.320 -0.000 0.000 0.198 311 K C -0.386 176.257 176.600 0.071 0.000 1.022 311 K CA 0.030 56.342 56.287 0.041 0.000 1.128 311 K CB 0.345 32.861 32.500 0.026 0.000 0.853 311 K HN 0.326 nan 8.250 nan 0.000 0.523 312 E N 2.547 122.805 120.200 0.096 0.000 2.267 312 E HA 0.198 4.548 4.350 -0.000 0.000 0.248 312 E C -2.498 174.175 176.600 0.120 0.000 0.899 312 E CA -2.277 54.180 56.400 0.095 0.000 0.764 312 E CB 1.491 31.241 29.700 0.084 0.000 1.227 312 E HN 0.164 nan 8.360 nan 0.000 0.421 313 P HA -0.126 nan 4.420 nan 0.000 0.267 313 P C 0.113 177.270 177.300 -0.239 0.000 1.195 313 P CA 0.056 63.136 63.100 -0.033 0.000 0.773 313 P CB 0.778 32.435 31.700 -0.072 0.000 0.837 314 V N 3.296 123.032 119.914 -0.297 0.000 3.133 314 V HA 0.181 4.301 4.120 -0.000 0.000 0.305 314 V C 0.309 176.105 176.094 -0.496 0.000 1.084 314 V CA -0.076 62.017 62.300 -0.344 0.000 1.089 314 V CB 0.444 32.085 31.823 -0.303 0.000 1.073 314 V HN 0.572 nan 8.190 nan 0.000 0.477 315 H N 2.004 121.049 119.070 -0.042 0.000 2.771 315 H HA 0.557 5.113 4.556 -0.000 0.000 0.344 315 H C 0.974 176.304 175.328 0.003 0.000 1.260 315 H CA 0.128 56.143 56.048 -0.054 0.000 1.276 315 H CB 1.576 31.353 29.762 0.025 0.000 1.881 315 H HN 0.999 nan 8.280 nan 0.000 0.615 316 G N -0.221 108.745 108.800 0.276 0.000 2.253 316 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.251 316 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.251 316 G C 0.209 175.280 174.900 0.285 0.000 0.998 316 G CA 0.325 45.660 45.100 0.392 0.000 0.621 316 G HN 0.460 nan 8.290 nan 0.000 0.524 317 V N 2.214 122.099 119.914 -0.048 0.000 2.302 317 V HA 0.462 4.582 4.120 -0.000 0.000 0.244 317 V C 0.047 175.988 176.094 -0.256 0.000 1.160 317 V CA 0.065 62.308 62.300 -0.095 0.000 1.127 317 V CB -1.027 30.720 31.823 -0.127 0.000 1.253 317 V HN 0.306 nan 8.190 nan 0.000 0.496 318 Y N 2.051 122.414 120.300 0.105 0.000 2.549 318 Y HA 0.496 5.046 4.550 -0.000 0.000 0.339 318 Y C -0.161 175.837 175.900 0.163 0.000 1.053 318 Y CA -1.412 56.772 58.100 0.139 0.000 1.105 318 Y CB 1.460 39.979 38.460 0.098 0.000 1.258 318 Y HN 0.486 nan 8.280 nan 0.000 0.478 319 Y N 2.578 123.023 120.300 0.241 0.000 2.404 319 Y HA 0.244 4.794 4.550 -0.000 0.000 0.344 319 Y C -0.471 175.486 175.900 0.095 0.000 0.995 319 Y CA -1.049 57.136 58.100 0.142 0.000 1.201 319 Y CB 0.376 38.986 38.460 0.249 0.000 1.151 319 Y HN 0.532 nan 8.280 nan 0.000 0.517 320 D N 8.510 128.594 120.400 -0.528 0.000 2.317 320 D HA 0.270 4.910 4.640 -0.000 0.000 0.234 320 D C -2.221 173.539 176.300 -0.900 0.000 1.112 320 D CA -2.496 51.188 54.000 -0.528 0.000 0.840 320 D CB 2.097 42.754 40.800 -0.239 0.000 1.078 320 D HN 0.366 nan 8.370 nan 0.000 0.486 321 P HA -0.071 nan 4.420 nan 0.000 0.229 321 P C 1.255 178.412 177.300 -0.238 0.000 1.160 321 P CA 0.714 63.502 63.100 -0.519 0.000 0.777 321 P CB 0.281 31.855 31.700 -0.210 0.000 0.814 322 S N -1.527 114.048 115.700 -0.208 0.000 2.387 322 S HA -0.027 4.443 4.470 -0.000 0.000 0.226 322 S C 1.019 175.553 174.600 -0.110 0.000 1.026 322 S CA 0.642 58.771 58.200 -0.118 0.000 0.972 322 S CB -0.642 62.502 63.200 -0.095 0.000 0.814 322 S HN 0.085 nan 8.310 nan 0.000 0.477 323 K N 1.546 121.857 120.400 -0.149 0.000 2.102 323 K HA 0.311 4.631 4.320 -0.000 0.000 0.244 323 K C -0.627 175.904 176.600 -0.115 0.000 1.021 323 K CA -0.477 55.739 56.287 -0.118 0.000 0.913 323 K CB 0.266 32.697 32.500 -0.115 0.000 1.062 323 K HN 0.262 nan 8.250 nan 0.000 0.485 324 D N 1.000 121.334 120.400 -0.110 0.000 2.277 324 D HA 0.231 4.871 4.640 -0.000 0.000 0.250 324 D C -0.275 175.902 176.300 -0.204 0.000 1.032 324 D CA -0.344 53.573 54.000 -0.139 0.000 0.947 324 D CB 1.122 41.843 40.800 -0.131 0.000 1.159 324 D HN 0.175 nan 8.370 nan 0.000 0.460 325 L N 1.716 122.765 121.223 -0.291 0.000 2.276 325 L HA 0.396 4.736 4.340 -0.000 0.000 0.286 325 L C 0.052 176.640 176.870 -0.470 0.000 1.061 325 L CA -0.453 54.127 54.840 -0.434 0.000 0.807 325 L CB 0.825 42.534 42.059 -0.584 0.000 1.177 325 L HN 0.133 nan 8.230 nan 0.000 0.429 326 I N 3.245 123.479 120.570 -0.559 0.000 2.354 326 I HA 0.442 4.612 4.170 -0.000 0.000 0.292 326 I C 0.093 175.668 176.117 -0.902 0.000 0.989 326 I CA -0.347 60.540 61.300 -0.689 0.000 1.188 326 I CB 1.813 39.394 38.000 -0.698 0.000 1.342 326 I HN 0.619 nan 8.210 nan 0.000 0.457 327 A N 6.560 128.910 122.820 -0.784 0.000 2.399 327 A HA 0.446 4.766 4.320 -0.000 0.000 0.327 327 A C -0.220 177.119 177.584 -0.408 0.000 1.367 327 A CA -0.582 51.037 52.037 -0.696 0.000 0.842 327 A CB 0.132 18.495 19.000 -1.062 0.000 1.142 327 A HN 0.713 nan 8.150 nan 0.000 0.495 328 E N 2.036 122.048 120.200 -0.313 0.000 2.313 328 E HA 0.482 4.832 4.350 -0.000 0.000 0.276 328 E C -0.498 176.105 176.600 0.006 0.000 1.031 328 E CA 0.032 56.369 56.400 -0.105 0.000 0.857 328 E CB 1.385 31.068 29.700 -0.029 0.000 1.040 328 E HN 0.643 nan 8.360 nan 0.000 0.408 329 I N 1.566 122.172 120.570 0.060 0.000 3.170 329 I HA 0.317 4.487 4.170 -0.000 0.000 0.312 329 I C -0.365 175.860 176.117 0.180 0.000 1.085 329 I CA -0.974 60.406 61.300 0.132 0.000 0.999 329 I CB 1.893 39.943 38.000 0.083 0.000 1.233 329 I HN 0.423 nan 8.210 nan 0.000 0.467 330 Q N 1.820 121.804 119.800 0.306 0.000 2.438 330 Q HA 0.330 4.670 4.340 -0.000 0.000 0.272 330 Q C -1.520 174.690 176.000 0.351 0.000 0.994 330 Q CA -1.049 54.934 55.803 0.300 0.000 0.887 330 Q CB 2.317 31.162 28.738 0.178 0.000 1.432 330 Q HN 0.479 nan 8.270 nan 0.000 0.392 331 K N 1.240 121.701 120.400 0.101 0.000 2.379 331 K HA 0.069 4.389 4.320 -0.000 0.000 0.284 331 K C 0.251 176.619 176.600 -0.386 0.000 1.044 331 K CA 0.153 56.060 56.287 -0.634 0.000 0.974 331 K CB 0.704 32.911 32.500 -0.489 0.000 0.962 331 K HN 0.535 nan 8.250 nan 0.000 0.474 332 Q N 1.820 121.306 119.800 -0.523 0.000 2.316 332 Q HA 0.165 4.505 4.340 -0.000 0.000 0.235 332 Q C 0.013 175.869 176.000 -0.239 0.000 0.863 332 Q CA 0.541 56.198 55.803 -0.244 0.000 0.939 332 Q CB 1.230 29.889 28.738 -0.131 0.000 1.108 332 Q HN 1.001 nan 8.270 nan 0.000 0.522 333 G N 1.445 110.024 108.800 -0.368 0.000 2.907 333 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 333 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 333 G C -0.801 173.986 174.900 -0.190 0.000 1.115 333 G CA -0.279 44.677 45.100 -0.240 0.000 0.760 333 G HN 0.187 nan 8.290 nan 0.000 0.620 334 Q N -0.828 118.886 119.800 -0.144 0.000 2.455 334 Q HA -0.033 4.307 4.340 -0.000 0.000 0.343 334 Q C 1.647 177.592 176.000 -0.092 0.000 1.458 334 Q CA 1.943 57.692 55.803 -0.089 0.000 0.923 334 Q CB -1.286 27.416 28.738 -0.061 0.000 1.149 334 Q HN 2.819 nan 8.270 nan 0.000 0.357 335 G N 0.390 109.137 108.800 -0.089 0.000 2.256 335 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.279 335 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.279 335 G C 0.103 175.014 174.900 0.019 0.000 0.998 335 G CA 1.140 46.246 45.100 0.011 0.000 0.720 335 G HN 0.516 nan 8.290 nan 0.000 0.521 336 Q N -1.318 118.379 119.800 -0.173 0.000 2.241 336 Q HA 0.548 4.888 4.340 -0.000 0.000 0.254 336 Q C -0.903 174.958 176.000 -0.233 0.000 0.917 336 Q CA -0.416 55.344 55.803 -0.073 0.000 0.919 336 Q CB 1.088 29.790 28.738 -0.061 0.000 1.237 336 Q HN 0.409 nan 8.270 nan 0.000 0.434 337 W N 1.261 122.655 121.300 0.156 0.000 2.830 337 W HA 0.258 4.918 4.660 -0.000 0.000 0.335 337 W C -0.125 176.487 176.519 0.155 0.000 1.043 337 W CA -0.628 56.809 57.345 0.153 0.000 1.239 337 W CB 1.638 31.202 29.460 0.173 0.000 1.378 337 W HN 0.470 nan 8.180 nan 0.000 0.456 338 T N 0.202 114.920 114.554 0.274 0.000 2.928 338 T HA 0.790 5.140 4.350 -0.000 0.000 0.284 338 T C -1.029 173.736 174.700 0.109 0.000 1.008 338 T CA -0.505 61.653 62.100 0.096 0.000 1.057 338 T CB 1.476 70.319 68.868 -0.042 0.000 1.018 338 T HN 0.472 nan 8.240 nan 0.000 0.493 339 Y N -0.496 119.718 120.300 -0.144 0.000 2.482 339 Y HA 0.706 5.256 4.550 -0.000 0.000 0.334 339 Y C -1.395 174.350 175.900 -0.258 0.000 1.091 339 Y CA -1.355 56.643 58.100 -0.170 0.000 1.027 339 Y CB 1.242 39.663 38.460 -0.064 0.000 1.306 339 Y HN 0.549 nan 8.280 nan 0.000 0.446 340 Q N 3.884 123.601 119.800 -0.139 0.000 2.301 340 Q HA 0.706 5.046 4.340 -0.000 0.000 0.267 340 Q C -1.150 174.784 176.000 -0.110 0.000 1.035 340 Q CA -0.728 54.968 55.803 -0.178 0.000 0.856 340 Q CB 2.822 31.453 28.738 -0.177 0.000 1.337 340 Q HN 0.803 nan 8.270 nan 0.000 0.450 341 I N 3.017 123.524 120.570 -0.105 0.000 2.439 341 I HA 0.427 4.597 4.170 -0.000 0.000 0.283 341 I C -1.158 174.841 176.117 -0.196 0.000 1.023 341 I CA -0.933 60.227 61.300 -0.234 0.000 1.100 341 I CB 0.553 38.495 38.000 -0.097 0.000 1.238 341 I HN 0.641 nan 8.210 nan 0.000 0.445 342 Y N 3.812 123.976 120.300 -0.225 0.000 2.876 342 Y HA 0.595 5.145 4.550 -0.000 0.000 0.317 342 Y C 0.046 175.816 175.900 -0.217 0.000 1.369 342 Y CA -0.952 57.025 58.100 -0.205 0.000 1.101 342 Y CB 1.008 39.344 38.460 -0.207 0.000 1.346 342 Y HN 0.408 nan 8.280 nan 0.000 0.505 343 Q N -1.020 118.940 119.800 0.266 0.000 2.237 343 Q HA 0.284 4.624 4.340 -0.000 0.000 0.254 343 Q C -0.987 175.087 176.000 0.124 0.000 0.771 343 Q CA 0.033 55.909 55.803 0.122 0.000 0.958 343 Q CB 1.605 30.337 28.738 -0.010 0.000 1.202 343 Q HN 0.608 nan 8.270 nan 0.000 0.492 344 E N 1.610 121.831 120.200 0.036 0.000 2.308 344 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 344 E C -2.719 173.679 176.600 -0.336 0.000 0.890 344 E CA -2.112 54.231 56.400 -0.095 0.000 0.754 344 E CB 2.004 31.684 29.700 -0.034 0.000 1.207 344 E HN -0.061 nan 8.360 nan 0.000 0.426 345 P HA -0.095 nan 4.420 nan 0.000 0.263 345 P C -0.178 176.859 177.300 -0.437 0.000 1.168 345 P CA 0.353 62.976 63.100 -0.794 0.000 0.759 345 P CB 0.032 31.498 31.700 -0.389 0.000 0.782 346 F N 0.147 119.848 119.950 -0.415 0.000 3.090 346 F HA -0.195 4.332 4.527 -0.000 0.000 0.282 346 F C 0.672 176.349 175.800 -0.206 0.000 0.923 346 F CA 0.897 58.725 58.000 -0.286 0.000 0.977 346 F CB -2.134 36.690 39.000 -0.294 0.000 0.954 346 F HN 0.346 nan 8.300 nan 0.000 0.695 347 K N 0.661 120.996 120.400 -0.108 0.000 3.253 347 K HA 0.215 4.535 4.320 -0.000 0.000 0.174 347 K C -0.187 176.395 176.600 -0.029 0.000 1.071 347 K CA -0.357 55.899 56.287 -0.052 0.000 0.836 347 K CB 0.304 32.790 32.500 -0.024 0.000 0.922 347 K HN 0.125 nan 8.250 nan 0.000 0.565 348 N N 1.747 120.422 118.700 -0.041 0.000 2.412 348 N HA 0.001 4.741 4.740 -0.000 0.000 0.258 348 N C 1.127 176.652 175.510 0.025 0.000 1.236 348 N CA 0.230 53.282 53.050 0.003 0.000 0.882 348 N CB 1.323 39.792 38.487 -0.029 0.000 1.066 348 N HN 0.246 nan 8.380 nan 0.000 0.465 349 L N 0.994 122.260 121.223 0.073 0.000 2.416 349 L HA 0.109 4.448 4.340 -0.000 0.000 0.216 349 L C 0.677 177.654 176.870 0.178 0.000 1.098 349 L CA 0.536 55.473 54.840 0.162 0.000 0.840 349 L CB 0.071 42.271 42.059 0.235 0.000 0.981 349 L HN 0.603 nan 8.230 nan 0.000 0.462 350 K N 0.400 120.863 120.400 0.104 0.000 2.487 350 K HA 0.092 4.412 4.320 -0.000 0.000 0.307 350 K C -0.482 176.078 176.600 -0.066 0.000 1.160 350 K CA -0.190 56.123 56.287 0.043 0.000 1.087 350 K CB 0.786 33.346 32.500 0.098 0.000 1.390 350 K HN -0.014 nan 8.250 nan 0.000 0.453 351 T N 0.542 115.000 114.554 -0.159 0.000 2.849 351 T HA 0.935 5.285 4.350 -0.000 0.000 0.276 351 T C 0.568 174.954 174.700 -0.524 0.000 0.971 351 T CA 0.249 62.141 62.100 -0.346 0.000 0.949 351 T CB 1.573 70.264 68.868 -0.294 0.000 1.093 351 T HN 0.872 nan 8.240 nan 0.000 0.545 352 G N -0.450 107.850 108.800 -0.833 0.000 2.341 352 G HA2 0.530 4.490 3.960 -0.000 0.000 0.299 352 G HA3 0.530 4.490 3.960 -0.000 0.000 0.299 352 G C -1.831 172.631 174.900 -0.730 0.000 1.274 352 G CA -0.734 43.824 45.100 -0.904 0.000 0.853 352 G HN 0.876 nan 8.290 nan 0.000 0.493 353 K N -1.535 118.678 120.400 -0.313 0.000 2.579 353 K HA 0.628 4.948 4.320 -0.000 0.000 0.284 353 K C -2.280 174.525 176.600 0.343 0.000 0.990 353 K CA -0.922 55.403 56.287 0.063 0.000 0.880 353 K CB 2.465 34.982 32.500 0.028 0.000 1.488 353 K HN 0.914 nan 8.250 nan 0.000 0.425 354 Y N 0.334 120.770 120.300 0.227 0.000 2.609 354 Y HA 0.727 5.277 4.550 -0.000 0.000 0.336 354 Y C -2.098 173.920 175.900 0.197 0.000 1.129 354 Y CA -0.084 58.128 58.100 0.188 0.000 1.040 354 Y CB 2.191 40.744 38.460 0.155 0.000 1.310 354 Y HN 0.796 nan 8.280 nan 0.000 0.460 355 A N 3.613 125.985 122.820 -0.747 0.000 2.586 355 A HA 0.795 5.115 4.320 -0.000 0.000 0.291 355 A C -1.711 175.332 177.584 -0.901 0.000 1.062 355 A CA -0.804 50.948 52.037 -0.475 0.000 0.666 355 A CB 1.928 20.823 19.000 -0.175 0.000 1.281 355 A HN 0.837 nan 8.150 nan 0.000 0.421 356 R N -0.014 120.244 120.500 -0.404 0.000 3.310 356 R HA 0.691 5.031 4.340 -0.000 0.000 0.214 356 R C -0.453 175.740 176.300 -0.179 0.000 1.680 356 R CA -0.584 55.326 56.100 -0.317 0.000 0.927 356 R CB 0.455 30.670 30.300 -0.141 0.000 2.186 356 R HN 0.693 nan 8.270 nan 0.000 0.538 357 M N 3.046 122.590 119.600 -0.092 0.000 2.047 357 M HA 0.311 4.791 4.480 -0.000 0.000 0.342 357 M C -0.740 175.596 176.300 0.060 0.000 1.058 357 M CA -0.591 54.724 55.300 0.024 0.000 0.991 357 M CB 0.314 32.998 32.600 0.140 0.000 1.474 357 M HN 0.593 nan 8.290 nan 0.000 0.419 358 R N 3.128 123.645 120.500 0.028 0.000 2.698 358 R HA 0.531 4.871 4.340 -0.000 0.000 0.266 358 R C 0.234 176.596 176.300 0.104 0.000 1.026 358 R CA 0.556 56.670 56.100 0.023 0.000 1.102 358 R CB 0.145 30.448 30.300 0.005 0.000 0.978 358 R HN 0.827 nan 8.270 nan 0.000 0.436 359 G N 0.552 109.396 108.800 0.073 0.000 2.260 359 G HA2 0.147 4.107 3.960 -0.000 0.000 0.250 359 G HA3 0.147 4.107 3.960 -0.000 0.000 0.250 359 G C -0.437 174.561 174.900 0.163 0.000 1.340 359 G CA -0.338 44.845 45.100 0.138 0.000 1.056 359 G HN 0.809 nan 8.290 nan 0.000 0.471 360 A N 0.368 123.313 122.820 0.208 0.000 2.281 360 A HA 0.453 4.773 4.320 -0.000 0.000 0.231 360 A C 1.186 178.908 177.584 0.230 0.000 1.317 360 A CA 1.818 53.948 52.037 0.155 0.000 0.959 360 A CB -1.022 18.026 19.000 0.079 0.000 0.900 360 A HN 1.574 nan 8.150 nan 0.000 0.497 361 H N -4.243 114.831 119.070 0.006 0.000 3.412 361 H HA 0.154 4.710 4.556 -0.000 0.000 0.233 361 H C -0.314 175.010 175.328 -0.007 0.000 0.953 361 H CA 0.584 56.638 56.048 0.011 0.000 1.049 361 H CB -0.236 29.544 29.762 0.031 0.000 1.406 361 H HN 0.074 nan 8.280 nan 0.000 0.557 362 T N 3.453 117.794 114.554 -0.355 0.000 2.824 362 T HA 0.344 4.694 4.350 -0.000 0.000 0.280 362 T C 0.297 174.893 174.700 -0.173 0.000 0.995 362 T CA -0.724 61.186 62.100 -0.316 0.000 1.009 362 T CB 2.000 70.610 68.868 -0.430 0.000 0.955 362 T HN 0.582 nan 8.240 nan 0.000 0.452 363 N N 1.825 120.416 118.700 -0.181 0.000 2.530 363 N HA 0.329 5.069 4.740 -0.000 0.000 0.283 363 N C -0.073 175.407 175.510 -0.050 0.000 1.238 363 N CA -0.910 52.069 53.050 -0.119 0.000 0.971 363 N CB 1.311 39.700 38.487 -0.163 0.000 1.195 363 N HN 0.291 nan 8.380 nan 0.000 0.583 364 D N 0.279 120.705 120.400 0.044 0.000 2.084 364 D HA -0.106 4.533 4.640 -0.000 0.000 0.196 364 D C 2.060 178.419 176.300 0.097 0.000 0.985 364 D CA 0.982 55.130 54.000 0.247 0.000 0.826 364 D CB -0.463 40.527 40.800 0.316 0.000 0.978 364 D HN 0.280 nan 8.370 nan 0.000 0.456 365 V N 1.754 121.673 119.914 0.008 0.000 2.250 365 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 365 V C 2.609 178.603 176.094 -0.166 0.000 1.060 365 V CA 2.166 64.467 62.300 0.002 0.000 1.030 365 V CB -0.581 31.284 31.823 0.069 0.000 0.643 365 V HN 0.207 nan 8.190 nan 0.000 0.445 366 K N -0.590 119.474 120.400 -0.560 0.000 2.074 366 K HA -0.296 4.024 4.320 -0.000 0.000 0.209 366 K C 2.209 178.604 176.600 -0.343 0.000 1.048 366 K CA 2.111 57.901 56.287 -0.828 0.000 0.926 366 K CB -0.183 31.567 32.500 -1.251 0.000 0.713 366 K HN 0.565 nan 8.250 nan 0.000 0.444 367 Q N 0.285 119.941 119.800 -0.239 0.000 1.993 367 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 367 Q C 2.174 177.824 176.000 -0.584 0.000 0.984 367 Q CA 1.726 57.411 55.803 -0.197 0.000 0.837 367 Q CB -0.248 28.587 28.738 0.161 0.000 0.902 367 Q HN 0.281 nan 8.270 nan 0.000 0.423 368 L N 0.479 121.286 121.223 -0.693 0.000 2.013 368 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 368 L C 2.079 178.756 176.870 -0.321 0.000 1.073 368 L CA 2.141 56.529 54.840 -0.753 0.000 0.753 368 L CB -0.982 40.837 42.059 -0.400 0.000 0.890 368 L HN 0.186 nan 8.230 nan 0.000 0.432 369 T N -0.599 113.945 114.554 -0.017 0.000 2.946 369 T HA -0.147 4.203 4.350 -0.000 0.000 0.271 369 T C 1.561 176.191 174.700 -0.116 0.000 1.104 369 T CA 1.588 63.781 62.100 0.153 0.000 1.114 369 T CB -0.167 68.799 68.868 0.162 0.000 0.867 369 T HN 0.546 nan 8.240 nan 0.000 0.513 370 E N 0.683 120.681 120.200 -0.337 0.000 2.083 370 E HA 0.246 4.596 4.350 -0.000 0.000 0.193 370 E C 2.636 178.808 176.600 -0.713 0.000 0.950 370 E CA 0.485 56.620 56.400 -0.441 0.000 0.849 370 E CB -0.225 29.280 29.700 -0.325 0.000 0.827 370 E HN 0.332 nan 8.360 nan 0.000 0.465 371 A N 1.445 123.529 122.820 -1.227 0.000 2.054 371 A HA -0.210 4.110 4.320 -0.000 0.000 0.223 371 A C 2.382 179.562 177.584 -0.674 0.000 1.169 371 A CA 1.434 52.771 52.037 -1.167 0.000 0.655 371 A CB -0.783 17.577 19.000 -1.066 0.000 0.812 371 A HN 0.114 nan 8.150 nan 0.000 0.462 372 V N -0.318 119.238 119.914 -0.596 0.000 2.273 372 V HA -0.273 3.847 4.120 -0.000 0.000 0.242 372 V C 2.536 178.457 176.094 -0.289 0.000 1.035 372 V CA 2.040 63.938 62.300 -0.670 0.000 1.013 372 V CB -0.917 30.472 31.823 -0.723 0.000 0.652 372 V HN 0.697 nan 8.190 nan 0.000 0.452 373 Q N 0.161 119.849 119.800 -0.186 0.000 2.297 373 Q HA -0.293 4.047 4.340 -0.000 0.000 0.208 373 Q C 2.069 178.127 176.000 0.096 0.000 0.981 373 Q CA 1.775 57.595 55.803 0.028 0.000 0.876 373 Q CB -0.262 28.264 28.738 -0.354 0.000 0.921 373 Q HN 0.601 nan 8.270 nan 0.000 0.446 374 K N 1.671 122.025 120.400 -0.076 0.000 1.975 374 K HA -0.090 4.230 4.320 -0.000 0.000 0.210 374 K C 1.858 178.417 176.600 -0.068 0.000 1.041 374 K CA 1.043 57.316 56.287 -0.025 0.000 0.942 374 K CB -0.274 32.173 32.500 -0.089 0.000 0.729 374 K HN 0.085 nan 8.250 nan 0.000 0.439 375 I N 1.201 121.620 120.570 -0.253 0.000 2.185 375 I HA -0.362 3.807 4.170 -0.000 0.000 0.246 375 I C 2.004 178.122 176.117 0.002 0.000 1.088 375 I CA 1.701 62.835 61.300 -0.277 0.000 1.347 375 I CB -0.959 36.816 38.000 -0.374 0.000 1.041 375 I HN 0.361 nan 8.210 nan 0.000 0.415 376 T N 0.421 115.076 114.554 0.168 0.000 2.496 376 T HA -0.206 4.144 4.350 -0.000 0.000 0.254 376 T C 1.877 176.564 174.700 -0.023 0.000 1.161 376 T CA 2.452 64.583 62.100 0.051 0.000 1.231 376 T CB -0.662 68.175 68.868 -0.052 0.000 0.866 376 T HN 0.358 nan 8.240 nan 0.000 0.396 377 T N 2.304 116.938 114.554 0.134 0.000 2.684 377 T HA -0.294 4.056 4.350 -0.000 0.000 0.259 377 T C 1.818 176.592 174.700 0.124 0.000 1.086 377 T CA 2.174 64.396 62.100 0.202 0.000 1.155 377 T CB -0.763 68.282 68.868 0.295 0.000 0.848 377 T HN 0.536 nan 8.240 nan 0.000 0.464 378 E N 0.473 120.721 120.200 0.081 0.000 2.070 378 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 378 E C 2.671 179.264 176.600 -0.012 0.000 1.004 378 E CA 1.497 57.908 56.400 0.019 0.000 0.805 378 E CB -0.306 29.280 29.700 -0.190 0.000 0.744 378 E HN 0.412 nan 8.360 nan 0.000 0.451 379 S N 0.882 116.603 115.700 0.035 0.000 2.353 379 S HA -0.170 4.300 4.470 -0.000 0.000 0.222 379 S C 2.093 176.708 174.600 0.025 0.000 1.035 379 S CA 1.000 59.320 58.200 0.201 0.000 1.025 379 S CB -0.290 62.953 63.200 0.072 0.000 0.902 379 S HN 0.209 nan 8.310 nan 0.000 0.440 380 I N 1.097 121.551 120.570 -0.194 0.000 2.091 380 I HA -0.218 3.952 4.170 -0.000 0.000 0.239 380 I C 2.268 178.287 176.117 -0.164 0.000 1.061 380 I CA 1.262 62.332 61.300 -0.383 0.000 1.317 380 I CB -0.944 36.659 38.000 -0.661 0.000 1.031 380 I HN 0.162 nan 8.210 nan 0.000 0.401 381 V N 1.356 121.234 119.914 -0.061 0.000 2.252 381 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 381 V C 2.316 178.452 176.094 0.069 0.000 1.056 381 V CA 2.237 64.594 62.300 0.095 0.000 1.022 381 V CB -0.435 31.516 31.823 0.213 0.000 0.641 381 V HN 0.314 nan 8.190 nan 0.000 0.445 382 I N -1.468 119.006 120.570 -0.160 0.000 2.110 382 I HA -0.211 3.959 4.170 -0.000 0.000 0.236 382 I C 1.830 177.656 176.117 -0.484 0.000 1.068 382 I CA 1.772 62.771 61.300 -0.502 0.000 1.333 382 I CB -0.297 36.953 38.000 -1.251 0.000 1.054 382 I HN 0.392 nan 8.210 nan 0.000 0.402 383 W N 0.778 121.894 121.300 -0.306 0.000 2.966 383 W HA 0.414 5.074 4.660 -0.000 0.000 0.406 383 W C 1.071 177.149 176.519 -0.734 0.000 1.027 383 W CA 0.098 57.116 57.345 -0.546 0.000 1.930 383 W CB -0.435 28.594 29.460 -0.718 0.000 1.144 383 W HN 0.339 nan 8.180 nan 0.000 0.626 384 G N 3.280 111.668 108.800 -0.687 0.000 2.356 384 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.296 384 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.296 384 G C 0.072 174.960 174.900 -0.019 0.000 1.022 384 G CA 1.217 46.120 45.100 -0.329 0.000 0.961 384 G HN 0.476 nan 8.290 nan 0.000 0.510 385 K N -1.823 118.497 120.400 -0.133 0.000 2.600 385 K HA 0.540 4.860 4.320 -0.000 0.000 0.262 385 K C -0.163 176.302 176.600 -0.224 0.000 0.935 385 K CA -0.378 55.857 56.287 -0.086 0.000 0.866 385 K CB 0.309 32.815 32.500 0.010 0.000 1.354 385 K HN 0.584 nan 8.250 nan 0.000 0.419 386 T N 0.727 115.108 114.554 -0.288 0.000 2.898 386 T HA 0.487 4.836 4.350 -0.000 0.000 0.301 386 T C -1.858 172.665 174.700 -0.295 0.000 1.049 386 T CA -0.845 61.052 62.100 -0.338 0.000 1.095 386 T CB 0.654 69.305 68.868 -0.362 0.000 0.976 386 T HN 0.547 nan 8.240 nan 0.000 0.539 387 P HA 0.437 nan 4.420 nan 0.000 0.287 387 P C -1.333 175.676 177.300 -0.485 0.000 1.296 387 P CA -0.897 61.892 63.100 -0.518 0.000 0.811 387 P CB 0.921 32.176 31.700 -0.743 0.000 1.211 388 K N 0.434 120.542 120.400 -0.487 0.000 2.334 388 K HA 0.410 4.730 4.320 -0.000 0.000 0.265 388 K C -1.249 175.114 176.600 -0.395 0.000 1.039 388 K CA -0.326 55.767 56.287 -0.323 0.000 0.920 388 K CB -0.519 31.828 32.500 -0.255 0.000 1.160 388 K HN 0.129 nan 8.250 nan 0.000 0.451 389 F N 3.009 122.843 119.950 -0.195 0.000 2.427 389 F HA 0.261 4.788 4.527 -0.000 0.000 0.352 389 F C 0.775 176.411 175.800 -0.272 0.000 1.100 389 F CA -0.183 57.678 58.000 -0.232 0.000 1.191 389 F CB 1.197 40.061 39.000 -0.226 0.000 1.128 389 F HN 0.341 nan 8.300 nan 0.000 0.533 390 K N 5.075 125.420 120.400 -0.092 0.000 2.319 390 K HA 0.316 4.636 4.320 -0.000 0.000 0.237 390 K C -0.839 175.694 176.600 -0.112 0.000 1.113 390 K CA -0.215 55.998 56.287 -0.122 0.000 1.072 390 K CB 0.203 32.651 32.500 -0.086 0.000 1.734 390 K HN 0.516 nan 8.250 nan 0.000 0.429 391 L N 4.654 125.727 121.223 -0.250 0.000 2.500 391 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 391 L C -1.758 175.085 176.870 -0.045 0.000 1.149 391 L CA -1.587 53.088 54.840 -0.274 0.000 0.897 391 L CB -0.140 41.520 42.059 -0.664 0.000 1.178 391 L HN 0.227 nan 8.230 nan 0.000 0.473 392 P HA 0.280 nan 4.420 nan 0.000 0.260 392 P C -0.524 176.875 177.300 0.165 0.000 1.651 392 P CA 0.221 63.400 63.100 0.132 0.000 1.139 392 P CB 0.908 32.713 31.700 0.176 0.000 1.756 393 I N 0.464 121.145 120.570 0.186 0.000 2.763 393 I HA 0.141 4.311 4.170 -0.000 0.000 0.292 393 I C -1.304 174.879 176.117 0.111 0.000 1.610 393 I CA -0.899 60.509 61.300 0.179 0.000 1.002 393 I CB 2.582 40.707 38.000 0.209 0.000 1.416 393 I HN 0.062 nan 8.210 nan 0.000 0.479 394 Q N 5.970 125.799 119.800 0.047 0.000 2.289 394 Q HA 0.067 4.407 4.340 -0.000 0.000 0.273 394 Q C 0.897 176.716 176.000 -0.302 0.000 1.029 394 Q CA 0.271 56.039 55.803 -0.058 0.000 0.896 394 Q CB 1.338 30.084 28.738 0.013 0.000 1.182 394 Q HN 0.666 nan 8.270 nan 0.000 0.385 395 K N 3.569 123.576 120.400 -0.655 0.000 2.052 395 K HA -0.314 4.006 4.320 -0.000 0.000 0.215 395 K C 1.025 177.360 176.600 -0.441 0.000 1.053 395 K CA 2.451 58.025 56.287 -1.188 0.000 0.934 395 K CB 0.152 32.255 32.500 -0.662 0.000 0.717 395 K HN 0.679 nan 8.250 nan 0.000 0.450 396 E N -0.066 120.056 120.200 -0.129 0.000 2.051 396 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 396 E C 2.055 178.690 176.600 0.058 0.000 0.991 396 E CA 1.931 58.353 56.400 0.037 0.000 0.799 396 E CB -0.488 29.280 29.700 0.113 0.000 0.748 396 E HN 0.379 nan 8.360 nan 0.000 0.449 397 T N 0.826 115.439 114.554 0.097 0.000 2.622 397 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 397 T C 1.346 176.212 174.700 0.276 0.000 1.047 397 T CA 1.419 63.661 62.100 0.237 0.000 1.159 397 T CB -0.567 68.426 68.868 0.209 0.000 0.863 397 T HN 0.413 nan 8.240 nan 0.000 0.422 398 W N 2.081 123.379 121.300 -0.003 0.000 2.318 398 W HA -0.160 4.500 4.660 -0.000 0.000 0.313 398 W C 1.855 178.373 176.519 -0.002 0.000 1.221 398 W CA 1.495 58.839 57.345 -0.001 0.000 1.266 398 W CB -0.441 28.955 29.460 -0.106 0.000 1.150 398 W HN 0.366 nan 8.180 nan 0.000 0.496 399 E N -0.580 119.602 120.200 -0.030 0.000 2.396 399 E HA -0.170 4.180 4.350 -0.000 0.000 0.200 399 E C 1.943 178.357 176.600 -0.309 0.000 1.023 399 E CA 2.032 58.277 56.400 -0.259 0.000 0.857 399 E CB 0.051 29.428 29.700 -0.539 0.000 0.775 399 E HN 0.245 nan 8.360 nan 0.000 0.525 400 T N -2.278 112.115 114.554 -0.269 0.000 3.033 400 T HA -0.004 4.346 4.350 -0.000 0.000 0.248 400 T C 1.001 175.146 174.700 -0.924 0.000 1.040 400 T CA 0.266 62.036 62.100 -0.550 0.000 1.133 400 T CB -0.143 68.357 68.868 -0.614 0.000 0.895 400 T HN 0.287 nan 8.240 nan 0.000 0.465 401 W N 1.117 122.276 121.300 -0.235 0.000 2.907 401 W HA 0.316 4.976 4.660 -0.000 0.000 0.271 401 W C 2.102 178.323 176.519 -0.497 0.000 1.253 401 W CA -1.285 55.882 57.345 -0.296 0.000 1.501 401 W CB -0.329 29.079 29.460 -0.085 0.000 1.047 401 W HN 0.256 nan 8.180 nan 0.000 0.610 402 W N 0.725 121.592 121.300 -0.721 0.000 2.290 402 W HA -0.302 4.358 4.660 -0.000 0.000 0.311 402 W C 1.416 177.649 176.519 -0.478 0.000 1.238 402 W CA 2.087 58.790 57.345 -1.069 0.000 1.255 402 W CB -1.893 26.383 29.460 -1.974 0.000 1.145 402 W HN -0.149 nan 8.180 nan 0.000 0.506 403 T N 1.265 114.856 114.554 -1.604 0.000 2.788 403 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 403 T C 1.634 175.957 174.700 -0.627 0.000 1.044 403 T CA 2.381 63.630 62.100 -1.418 0.000 1.139 403 T CB -0.288 67.774 68.868 -1.344 0.000 0.867 403 T HN 0.147 nan 8.240 nan 0.000 0.454 404 E N 0.274 120.114 120.200 -0.601 0.000 2.097 404 E HA -0.120 4.230 4.350 -0.000 0.000 0.196 404 E C 0.666 176.799 176.600 -0.779 0.000 1.000 404 E CA 1.576 57.550 56.400 -0.710 0.000 0.804 404 E CB -0.235 28.872 29.700 -0.989 0.000 0.740 404 E HN 0.793 nan 8.360 nan 0.000 0.454 405 Y N -1.597 118.672 120.300 -0.050 0.000 2.681 405 Y HA 0.209 4.759 4.550 -0.000 0.000 0.267 405 Y C -0.008 175.855 175.900 -0.061 0.000 1.166 405 Y CA -0.794 57.274 58.100 -0.053 0.000 1.209 405 Y CB -0.083 38.343 38.460 -0.057 0.000 1.161 405 Y HN 0.036 nan 8.280 nan 0.000 0.534 406 W N 2.871 124.069 121.300 -0.170 0.000 2.316 406 W HA 0.215 4.875 4.660 -0.000 0.000 0.311 406 W C 0.012 176.461 176.519 -0.117 0.000 1.217 406 W CA 0.108 57.380 57.345 -0.123 0.000 1.199 406 W CB 1.198 30.527 29.460 -0.218 0.000 1.202 406 W HN 0.306 nan 8.180 nan 0.000 0.528 407 Q N 3.312 122.666 119.800 -0.744 0.000 2.245 407 Q HA 0.159 4.499 4.340 -0.000 0.000 0.250 407 Q C 0.666 176.363 176.000 -0.505 0.000 0.830 407 Q CA -0.114 55.432 55.803 -0.429 0.000 0.950 407 Q CB 1.262 29.838 28.738 -0.270 0.000 1.124 407 Q HN 0.439 nan 8.270 nan 0.000 0.502 408 A N 1.222 123.468 122.820 -0.956 0.000 2.445 408 A HA 0.141 4.461 4.320 -0.000 0.000 0.242 408 A C 1.126 178.495 177.584 -0.358 0.000 1.075 408 A CA 0.279 51.726 52.037 -0.983 0.000 0.777 408 A CB 0.261 17.936 19.000 -2.210 0.000 1.013 408 A HN 0.298 nan 8.150 nan 0.000 0.493 409 T N -0.787 113.525 114.554 -0.404 0.000 3.194 409 T HA 0.153 4.503 4.350 -0.000 0.000 0.251 409 T C 0.340 175.159 174.700 0.198 0.000 1.132 409 T CA 0.236 62.314 62.100 -0.038 0.000 1.028 409 T CB -0.700 68.151 68.868 -0.028 0.000 0.976 409 T HN 0.713 nan 8.240 nan 0.000 0.535 410 W N -0.033 121.512 121.300 0.408 0.000 2.967 410 W HA 0.746 5.406 4.660 -0.000 0.000 0.342 410 W C -1.515 175.267 176.519 0.439 0.000 1.162 410 W CA -1.901 55.673 57.345 0.383 0.000 1.085 410 W CB 1.000 30.680 29.460 0.366 0.000 1.460 410 W HN -0.189 nan 8.180 nan 0.000 0.584 411 I N 3.057 124.070 120.570 0.738 0.000 2.503 411 I HA 0.186 4.356 4.170 -0.000 0.000 0.282 411 I C -1.913 174.307 176.117 0.171 0.000 1.059 411 I CA -2.115 59.421 61.300 0.393 0.000 1.081 411 I CB 1.597 39.550 38.000 -0.078 0.000 1.210 411 I HN -0.058 nan 8.210 nan 0.000 0.450 412 P HA 0.054 nan 4.420 nan 0.000 0.281 412 P C -0.681 176.500 177.300 -0.199 0.000 1.274 412 P CA 0.013 63.171 63.100 0.097 0.000 0.794 412 P CB 0.861 32.803 31.700 0.402 0.000 1.201 413 E N -0.686 119.400 120.200 -0.189 0.000 2.175 413 E HA 0.369 4.719 4.350 -0.000 0.000 0.278 413 E C -0.623 175.841 176.600 -0.227 0.000 0.969 413 E CA -0.086 56.085 56.400 -0.381 0.000 0.796 413 E CB 0.919 30.473 29.700 -0.244 0.000 1.104 413 E HN 0.486 nan 8.360 nan 0.000 0.395 414 W N 1.278 122.437 121.300 -0.236 0.000 3.075 414 W HA 0.566 5.226 4.660 -0.000 0.000 0.334 414 W C -0.661 175.521 176.519 -0.562 0.000 1.243 414 W CA -0.997 56.114 57.345 -0.391 0.000 1.170 414 W CB 0.317 29.445 29.460 -0.554 0.000 1.452 414 W HN 0.463 nan 8.180 nan 0.000 0.572 415 E N 0.219 120.188 120.200 -0.384 0.000 2.456 415 E HA 0.764 5.114 4.350 -0.000 0.000 0.276 415 E C -1.845 174.217 176.600 -0.897 0.000 0.981 415 E CA -1.152 54.929 56.400 -0.532 0.000 0.814 415 E CB 2.461 32.051 29.700 -0.183 0.000 1.382 415 E HN 0.301 nan 8.360 nan 0.000 0.459 416 F N 0.827 120.789 119.950 0.020 0.000 2.460 416 F HA 0.333 4.860 4.527 -0.000 0.000 0.341 416 F C -0.028 175.784 175.800 0.019 0.000 1.130 416 F CA -1.045 56.946 58.000 -0.015 0.000 0.962 416 F CB 1.989 40.987 39.000 -0.002 0.000 1.171 416 F HN 0.365 nan 8.300 nan 0.000 0.436 417 V N 0.552 120.556 119.914 0.149 0.000 2.785 417 V HA 0.479 4.599 4.120 -0.000 0.000 0.300 417 V C 0.047 176.226 176.094 0.141 0.000 1.062 417 V CA -0.662 61.712 62.300 0.124 0.000 1.029 417 V CB 1.521 33.400 31.823 0.093 0.000 1.024 417 V HN 0.918 nan 8.190 nan 0.000 0.477 418 N N 0.373 119.146 118.700 0.122 0.000 2.536 418 N HA 0.225 4.965 4.740 -0.000 0.000 0.286 418 N C -0.158 175.410 175.510 0.098 0.000 1.577 418 N CA -0.099 53.018 53.050 0.111 0.000 0.883 418 N CB 1.099 39.650 38.487 0.106 0.000 1.390 418 N HN 0.759 nan 8.380 nan 0.000 0.491 419 T N -0.628 113.987 114.554 0.101 0.000 3.594 419 T HA 0.151 4.501 4.350 -0.000 0.000 0.315 419 T C -2.838 171.927 174.700 0.108 0.000 0.912 419 T CA -0.250 61.908 62.100 0.097 0.000 0.985 419 T CB 0.205 69.130 68.868 0.095 0.000 1.201 419 T HN 0.069 nan 8.240 nan 0.000 0.569 420 P HA 0.150 nan 4.420 nan 0.000 0.242 420 P C -2.321 175.058 177.300 0.131 0.000 1.116 420 P CA -0.465 62.712 63.100 0.128 0.000 0.954 420 P CB -0.559 31.218 31.700 0.128 0.000 0.908 421 P HA 0.059 nan 4.420 nan 0.000 0.274 421 P C 0.747 178.149 177.300 0.170 0.000 1.264 421 P CA -0.298 62.894 63.100 0.153 0.000 0.795 421 P CB 0.658 32.469 31.700 0.184 0.000 1.064 422 L N 0.661 121.981 121.223 0.161 0.000 3.163 422 L HA -0.025 4.315 4.340 -0.000 0.000 0.261 422 L C 1.313 178.327 176.870 0.241 0.000 1.313 422 L CA 0.123 55.063 54.840 0.166 0.000 1.111 422 L CB -0.978 41.157 42.059 0.126 0.000 1.511 422 L HN 0.134 nan 8.230 nan 0.000 0.419 423 V N -0.042 120.033 119.914 0.269 0.000 3.573 423 V HA -0.138 3.982 4.120 -0.000 0.000 0.270 423 V C 2.316 178.574 176.094 0.272 0.000 1.221 423 V CA 1.092 63.580 62.300 0.313 0.000 1.163 423 V CB -0.141 31.858 31.823 0.292 0.000 0.847 423 V HN 0.573 nan 8.190 nan 0.000 0.468 424 K N -0.038 120.500 120.400 0.230 0.000 2.186 424 K HA 0.020 4.340 4.320 -0.000 0.000 0.202 424 K C 1.957 178.671 176.600 0.189 0.000 1.052 424 K CA 0.757 57.163 56.287 0.198 0.000 0.965 424 K CB 0.094 32.674 32.500 0.133 0.000 0.746 424 K HN 0.386 nan 8.250 nan 0.000 0.457 425 L N 0.018 121.354 121.223 0.188 0.000 1.973 425 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 425 L C 2.439 179.442 176.870 0.222 0.000 1.073 425 L CA 1.228 56.173 54.840 0.175 0.000 0.746 425 L CB -0.833 41.321 42.059 0.159 0.000 0.891 425 L HN 0.404 nan 8.230 nan 0.000 0.433 426 W N 0.936 122.223 121.300 -0.021 0.000 2.313 426 W HA -0.233 4.427 4.660 -0.000 0.000 0.293 426 W C 0.835 177.223 176.519 -0.217 0.000 1.216 426 W CA 0.903 58.156 57.345 -0.153 0.000 1.223 426 W CB -0.648 28.650 29.460 -0.271 0.000 1.138 426 W HN -0.004 nan 8.180 nan 0.000 0.535 427 Y N 0.000 120.414 120.300 0.190 0.000 2.660 427 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 427 Y CA 0.000 58.130 58.100 0.051 0.000 1.940 427 Y CB 0.000 38.412 38.460 -0.079 0.000 1.050 427 Y HN 0.000 nan 8.280 nan 0.000 0.758