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 3io4_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDAA LAAAQTNAAA MATLEKLMKA FESLKSFQQQ QQQQQQXXQQ DATA SEQUENCE QQQQPPPPPP PPPPPQLPQ 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 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.575 176.600 -0.042 0.000 0.988 1 K CA 0.000 56.267 56.287 -0.033 0.000 0.838 1 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 2 I N -2.418 118.130 120.570 -0.036 0.000 1.547 2 I HA 0.486 4.656 4.170 0.000 0.000 0.310 2 I C 1.030 177.130 176.117 -0.028 0.000 3.170 2 I CA 1.356 62.629 61.300 -0.045 0.000 1.162 2 I CB -1.256 36.705 38.000 -0.065 0.000 2.573 2 I HN 1.241 nan 8.210 nan 0.000 0.694 3 E N -1.033 119.151 120.200 -0.027 0.000 2.870 3 E HA 0.481 4.831 4.350 0.000 0.000 0.185 3 E C 0.776 177.373 176.600 -0.005 0.000 1.084 3 E CA 1.342 57.733 56.400 -0.014 0.000 1.246 3 E CB 0.134 29.823 29.700 -0.019 0.000 1.382 3 E HN 2.233 nan 8.360 nan 0.000 0.492 4 E N -0.291 119.906 120.200 -0.005 0.000 2.246 4 E HA -0.199 4.151 4.350 0.000 0.000 0.211 4 E C 0.742 177.350 176.600 0.013 0.000 1.278 4 E CA 1.118 57.520 56.400 0.003 0.000 0.694 4 E CB -1.817 27.883 29.700 0.001 0.000 1.166 4 E HN 1.332 nan 8.360 nan 0.000 0.370 5 G N 0.369 109.180 108.800 0.019 0.000 3.709 5 G HA2 -0.260 3.701 3.960 0.000 0.000 0.196 5 G HA3 -0.260 3.701 3.960 0.000 0.000 0.196 5 G C 0.903 175.828 174.900 0.041 0.000 1.177 5 G CA 0.454 45.574 45.100 0.033 0.000 0.906 5 G HN 0.333 nan 8.290 nan 0.000 0.416 6 K N 0.754 121.170 120.400 0.026 0.000 2.007 6 K HA 0.518 4.838 4.320 0.000 0.000 0.206 6 K C 0.776 177.382 176.600 0.010 0.000 1.047 6 K CA 0.972 57.274 56.287 0.025 0.000 0.937 6 K CB 0.172 32.683 32.500 0.018 0.000 0.718 6 K HN 0.970 nan 8.250 nan 0.000 0.438 7 L N 1.107 122.322 121.223 -0.013 0.000 2.219 7 L HA -0.117 4.223 4.340 0.000 0.000 0.644 7 L C -0.881 175.966 176.870 -0.039 0.000 1.007 7 L CA -0.428 54.382 54.840 -0.050 0.000 1.349 7 L CB -0.739 41.249 42.059 -0.118 0.000 2.072 7 L HN 0.254 nan 8.230 nan 0.000 0.986 8 V N 5.941 125.840 119.914 -0.025 0.000 2.350 8 V HA 0.608 4.728 4.120 0.000 0.000 0.276 8 V C 0.485 176.590 176.094 0.018 0.000 1.028 8 V CA -0.174 62.140 62.300 0.023 0.000 0.860 8 V CB 1.388 33.244 31.823 0.055 0.000 0.990 8 V HN 0.444 nan 8.190 nan 0.000 0.453 9 I N 6.632 127.275 120.570 0.121 0.000 2.577 9 I HA 0.508 4.678 4.170 0.000 0.000 0.305 9 I C -0.662 175.741 176.117 0.476 0.000 0.986 9 I CA -0.527 60.897 61.300 0.207 0.000 1.189 9 I CB 1.662 39.807 38.000 0.241 0.000 1.355 9 I HN 0.541 nan 8.210 nan 0.000 0.476 10 W N 4.999 126.388 121.300 0.148 0.000 2.799 10 W HA 0.739 5.399 4.660 -0.000 0.000 0.349 10 W C -0.421 176.227 176.519 0.215 0.000 1.100 10 W CA -0.677 56.743 57.345 0.126 0.000 1.174 10 W CB 1.357 30.864 29.460 0.077 0.000 1.427 10 W HN 0.184 nan 8.180 nan 0.000 0.547 11 I N 1.047 121.794 120.570 0.295 0.000 3.363 11 I HA 0.375 4.545 4.170 0.000 0.000 0.320 11 I C -1.484 174.646 176.117 0.022 0.000 1.293 11 I CA -0.641 60.748 61.300 0.150 0.000 0.905 11 I CB 1.585 39.578 38.000 -0.012 0.000 1.311 11 I HN 0.229 nan 8.210 nan 0.000 0.485 12 N N 0.726 119.393 118.700 -0.055 0.000 2.456 12 N HA 0.448 5.188 4.740 0.000 0.000 0.288 12 N C 0.750 176.263 175.510 0.005 0.000 1.059 12 N CA 0.477 53.451 53.050 -0.126 0.000 0.946 12 N CB 1.787 40.099 38.487 -0.292 0.000 1.150 12 N HN 0.795 nan 8.380 nan 0.000 0.479 13 G N 1.350 110.183 108.800 0.055 0.000 2.479 13 G HA2 -0.247 3.713 3.960 0.000 0.000 0.220 13 G HA3 -0.247 3.713 3.960 0.000 0.000 0.220 13 G C 0.836 175.779 174.900 0.073 0.000 1.115 13 G CA 0.897 46.099 45.100 0.169 0.000 0.757 13 G HN 0.804 nan 8.290 nan 0.000 0.560 14 D N 0.256 120.663 120.400 0.011 0.000 2.354 14 D HA -0.001 4.639 4.640 0.000 0.000 0.209 14 D C 0.673 176.957 176.300 -0.027 0.000 1.015 14 D CA 0.124 54.121 54.000 -0.005 0.000 0.867 14 D CB 0.040 40.837 40.800 -0.005 0.000 0.933 14 D HN 0.360 nan 8.370 nan 0.000 0.520 15 K N 0.527 120.904 120.400 -0.037 0.000 2.123 15 K HA 0.532 4.852 4.320 0.000 0.000 0.259 15 K C 0.498 177.021 176.600 -0.129 0.000 0.960 15 K CA -0.952 55.296 56.287 -0.064 0.000 0.872 15 K CB 1.641 34.103 32.500 -0.064 0.000 1.079 15 K HN -0.116 nan 8.250 nan 0.000 0.440 16 G N 2.810 111.506 108.800 -0.173 0.000 2.661 16 G HA2 -0.010 3.950 3.960 0.000 0.000 0.292 16 G HA3 -0.010 3.950 3.960 0.000 0.000 0.292 16 G C 0.470 175.214 174.900 -0.260 0.000 0.781 16 G CA -0.353 44.572 45.100 -0.291 0.000 1.860 16 G HN 0.772 nan 8.290 nan 0.000 0.512 17 Y N 0.368 120.588 120.300 -0.133 0.000 2.497 17 Y HA -0.075 4.475 4.550 -0.000 0.000 0.292 17 Y C 2.079 177.935 175.900 -0.073 0.000 1.137 17 Y CA 0.555 58.586 58.100 -0.115 0.000 1.285 17 Y CB -0.559 37.834 38.460 -0.112 0.000 0.991 17 Y HN 0.489 nan 8.280 nan 0.000 0.556 18 N N 1.165 119.708 118.700 -0.262 0.000 2.013 18 N HA -0.188 4.552 4.740 0.000 0.000 0.195 18 N C 2.295 177.784 175.510 -0.035 0.000 1.051 18 N CA 1.238 54.223 53.050 -0.109 0.000 0.851 18 N CB -0.654 37.713 38.487 -0.201 0.000 1.044 18 N HN 0.547 nan 8.380 nan 0.000 0.422 19 G N 1.896 110.655 108.800 -0.068 0.000 2.505 19 G HA2 -0.279 3.682 3.960 0.000 0.000 0.220 19 G HA3 -0.279 3.682 3.960 0.000 0.000 0.220 19 G C 1.500 176.405 174.900 0.008 0.000 1.145 19 G CA 0.816 45.896 45.100 -0.033 0.000 0.761 19 G HN 0.180 nan 8.290 nan 0.000 0.571 20 L N 1.479 122.710 121.223 0.012 0.000 1.970 20 L HA 0.059 4.399 4.340 0.000 0.000 0.212 20 L C 3.131 180.065 176.870 0.108 0.000 1.071 20 L CA 2.569 57.450 54.840 0.069 0.000 0.751 20 L CB -1.026 41.056 42.059 0.038 0.000 0.889 20 L HN 0.255 nan 8.230 nan 0.000 0.432 21 A N -0.754 122.131 122.820 0.108 0.000 1.948 21 A HA -0.285 4.035 4.320 0.000 0.000 0.220 21 A C 2.113 179.742 177.584 0.074 0.000 1.177 21 A CA 2.101 54.200 52.037 0.103 0.000 0.636 21 A CB -0.823 18.258 19.000 0.134 0.000 0.815 21 A HN 0.700 nan 8.150 nan 0.000 0.449 22 E N -0.470 119.765 120.200 0.059 0.000 2.268 22 E HA -0.082 4.269 4.350 0.000 0.000 0.195 22 E C 1.742 178.376 176.600 0.058 0.000 0.995 22 E CA 1.091 57.518 56.400 0.044 0.000 0.836 22 E CB -0.179 29.536 29.700 0.025 0.000 0.763 22 E HN 0.509 nan 8.360 nan 0.000 0.491 23 V N 0.246 120.215 119.914 0.091 0.000 2.649 23 V HA -0.042 4.078 4.120 0.000 0.000 0.248 23 V C 2.284 178.457 176.094 0.132 0.000 1.054 23 V CA 1.522 63.903 62.300 0.134 0.000 1.073 23 V CB -0.527 31.430 31.823 0.224 0.000 0.699 23 V HN 0.345 nan 8.190 nan 0.000 0.463 24 G N 0.144 109.003 108.800 0.098 0.000 2.408 24 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 24 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 24 G C 1.664 176.597 174.900 0.055 0.000 1.150 24 G CA 0.472 45.589 45.100 0.029 0.000 0.776 24 G HN 0.334 nan 8.290 nan 0.000 0.542 25 K N 0.569 120.994 120.400 0.042 0.000 2.097 25 K HA -0.006 4.314 4.320 0.000 0.000 0.205 25 K C 2.256 178.857 176.600 0.002 0.000 1.050 25 K CA 0.818 57.118 56.287 0.022 0.000 0.938 25 K CB -0.265 32.246 32.500 0.019 0.000 0.718 25 K HN 0.340 nan 8.250 nan 0.000 0.442 26 K N 0.022 120.426 120.400 0.006 0.000 2.148 26 K HA -0.101 4.220 4.320 0.000 0.000 0.204 26 K C 2.080 178.599 176.600 -0.134 0.000 1.050 26 K CA 0.748 57.016 56.287 -0.030 0.000 0.942 26 K CB -0.080 32.423 32.500 0.005 0.000 0.724 26 K HN 0.058 nan 8.250 nan 0.000 0.446 27 F N 1.964 121.704 119.950 -0.350 0.000 2.128 27 F HA -0.132 4.397 4.527 0.003 0.000 0.295 27 F C 2.180 177.859 175.800 -0.201 0.000 1.100 27 F CA 1.759 59.464 58.000 -0.491 0.000 1.260 27 F CB -0.214 38.539 39.000 -0.413 0.000 1.009 27 F HN 0.112 nan 8.300 nan 0.000 0.476 28 E N 1.477 121.534 120.200 -0.238 0.000 2.171 28 E HA -0.316 4.034 4.350 0.000 0.000 0.197 28 E C 1.937 178.387 176.600 -0.250 0.000 0.997 28 E CA 2.200 58.438 56.400 -0.270 0.000 0.810 28 E CB -0.481 29.177 29.700 -0.070 0.000 0.738 28 E HN 0.672 nan 8.360 nan 0.000 0.467 29 K N -0.482 119.813 120.400 -0.175 0.000 2.296 29 K HA -0.063 4.257 4.320 0.000 0.000 0.200 29 K C 1.195 177.725 176.600 -0.117 0.000 1.048 29 K CA 1.263 57.482 56.287 -0.113 0.000 0.966 29 K CB 0.202 32.667 32.500 -0.058 0.000 0.754 29 K HN 0.064 nan 8.250 nan 0.000 0.466 30 D N 1.377 121.677 120.400 -0.167 0.000 2.144 30 D HA -0.077 4.563 4.640 0.000 0.000 0.207 30 D C 1.750 177.962 176.300 -0.146 0.000 0.970 30 D CA 2.078 56.019 54.000 -0.099 0.000 0.853 30 D CB 0.102 40.907 40.800 0.008 0.000 1.007 30 D HN 0.491 nan 8.370 nan 0.000 0.469 31 T N -3.840 110.526 114.554 -0.314 0.000 3.010 31 T HA 0.403 4.753 4.350 0.000 0.000 0.257 31 T C 1.456 176.009 174.700 -0.246 0.000 1.020 31 T CA 0.476 62.414 62.100 -0.269 0.000 0.938 31 T CB 1.123 69.792 68.868 -0.331 0.000 1.049 31 T HN 0.195 nan 8.240 nan 0.000 0.522 32 G N 1.955 110.586 108.800 -0.281 0.000 2.149 32 G HA2 -0.130 3.830 3.960 0.000 0.000 0.235 32 G HA3 -0.130 3.830 3.960 0.000 0.000 0.235 32 G C -0.239 174.578 174.900 -0.138 0.000 1.018 32 G CA -0.123 44.877 45.100 -0.167 0.000 0.728 32 G HN 0.538 nan 8.290 nan 0.000 0.508 33 I N 0.276 120.721 120.570 -0.209 0.000 2.410 33 I HA 0.399 4.569 4.170 0.000 0.000 0.286 33 I C 0.330 176.497 176.117 0.084 0.000 1.009 33 I CA -1.748 59.541 61.300 -0.020 0.000 1.111 33 I CB 1.526 39.604 38.000 0.130 0.000 1.262 33 I HN 0.170 nan 8.210 nan 0.000 0.443 34 K N 6.040 126.476 120.400 0.061 0.000 2.339 34 K HA 0.472 4.792 4.320 0.000 0.000 0.286 34 K C -0.997 175.636 176.600 0.055 0.000 1.050 34 K CA -0.161 56.158 56.287 0.053 0.000 0.956 34 K CB 0.747 33.262 32.500 0.025 0.000 0.990 34 K HN 0.423 nan 8.250 nan 0.000 0.475 35 V N 3.413 123.347 119.914 0.033 0.000 2.495 35 V HA 0.470 4.590 4.120 0.000 0.000 0.298 35 V C -0.365 175.725 176.094 -0.007 0.000 1.031 35 V CA -0.943 61.336 62.300 -0.036 0.000 0.871 35 V CB 1.344 33.062 31.823 -0.175 0.000 0.988 35 V HN 0.933 nan 8.190 nan 0.000 0.432 36 T N 1.223 115.782 114.554 0.009 0.000 2.791 36 T HA 0.675 5.025 4.350 0.000 0.000 0.288 36 T C -0.265 174.478 174.700 0.072 0.000 0.999 36 T CA -0.620 61.504 62.100 0.039 0.000 0.952 36 T CB 1.276 70.171 68.868 0.045 0.000 0.938 36 T HN 0.971 nan 8.240 nan 0.000 0.444 37 V N 0.683 120.641 119.914 0.074 0.000 3.083 37 V HA 0.723 4.843 4.120 0.000 0.000 0.306 37 V C -0.304 175.827 176.094 0.062 0.000 1.077 37 V CA -0.548 61.815 62.300 0.104 0.000 1.073 37 V CB 0.972 32.853 31.823 0.096 0.000 1.081 37 V HN 1.054 nan 8.190 nan 0.000 0.474 38 E N 0.640 120.878 120.200 0.063 0.000 2.321 38 E HA 0.373 4.723 4.350 0.000 0.000 0.281 38 E C -1.632 174.823 176.600 -0.242 0.000 0.910 38 E CA -0.540 55.786 56.400 -0.123 0.000 0.770 38 E CB 1.709 31.323 29.700 -0.144 0.000 1.225 38 E HN 1.135 nan 8.360 nan 0.000 0.417 39 H N 0.848 119.646 119.070 -0.453 0.000 2.410 39 H HA 0.409 4.965 4.556 -0.000 0.000 0.232 39 H C -2.506 172.592 175.328 -0.384 0.000 1.535 39 H CA -2.232 53.584 56.048 -0.386 0.000 1.310 39 H CB -0.164 29.392 29.762 -0.344 0.000 1.518 39 H HN 0.082 nan 8.280 nan 0.000 0.545 40 P HA 0.083 nan 4.420 nan 0.000 0.278 40 P C -0.295 176.786 177.300 -0.364 0.000 1.238 40 P CA -0.337 62.403 63.100 -0.600 0.000 0.794 40 P CB 1.497 32.698 31.700 -0.832 0.000 0.955 41 D N 2.245 122.494 120.400 -0.252 0.000 2.372 41 D HA 0.016 4.656 4.640 0.000 0.000 0.243 41 D C 0.226 176.491 176.300 -0.059 0.000 1.121 41 D CA 0.012 53.939 54.000 -0.122 0.000 0.898 41 D CB 0.471 41.218 40.800 -0.087 0.000 1.202 41 D HN 0.369 nan 8.370 nan 0.000 0.428 42 K N 1.196 121.610 120.400 0.024 0.000 4.040 42 K HA -0.198 4.122 4.320 0.000 0.000 0.279 42 K C 1.242 177.937 176.600 0.158 0.000 0.890 42 K CA -0.051 56.307 56.287 0.119 0.000 0.782 42 K CB -1.416 31.139 32.500 0.092 0.000 1.613 42 K HN 0.459 nan 8.250 nan 0.000 0.440 43 L N -0.744 120.602 121.223 0.205 0.000 2.240 43 L HA -0.089 4.251 4.340 0.000 0.000 0.211 43 L C 2.343 179.532 176.870 0.532 0.000 1.106 43 L CA 0.950 55.992 54.840 0.337 0.000 0.793 43 L CB -0.451 41.803 42.059 0.325 0.000 0.927 43 L HN 0.323 nan 8.230 nan 0.000 0.446 44 E N 0.885 121.442 120.200 0.596 0.000 2.171 44 E HA -0.252 4.098 4.350 0.000 0.000 0.197 44 E C 1.275 178.083 176.600 0.347 0.000 0.997 44 E CA 1.588 58.293 56.400 0.508 0.000 0.810 44 E CB -0.355 29.507 29.700 0.269 0.000 0.738 44 E HN 0.692 nan 8.360 nan 0.000 0.467 45 E N 0.915 121.282 120.200 0.278 0.000 2.251 45 E HA 0.093 4.443 4.350 0.000 0.000 0.194 45 E C 1.973 178.707 176.600 0.223 0.000 0.964 45 E CA 0.192 56.708 56.400 0.193 0.000 0.868 45 E CB -0.064 29.709 29.700 0.122 0.000 0.828 45 E HN 0.266 nan 8.360 nan 0.000 0.481 46 K N 0.546 121.113 120.400 0.277 0.000 2.002 46 K HA -0.079 4.241 4.320 0.000 0.000 0.209 46 K C 2.128 178.953 176.600 0.374 0.000 1.048 46 K CA 0.969 57.437 56.287 0.302 0.000 0.930 46 K CB -0.378 32.313 32.500 0.318 0.000 0.714 46 K HN 0.041 nan 8.250 nan 0.000 0.438 47 F N 2.358 122.520 119.950 0.354 0.000 2.091 47 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 47 F C -1.086 174.773 175.800 0.099 0.000 1.103 47 F CA 1.482 59.592 58.000 0.184 0.000 1.228 47 F CB -0.909 38.144 39.000 0.089 0.000 0.984 47 F HN 0.047 nan 8.300 nan 0.000 0.477 48 P HA -0.227 nan 4.420 nan 0.000 0.216 48 P C 1.292 178.547 177.300 -0.075 0.000 1.150 48 P CA 1.975 65.105 63.100 0.049 0.000 0.843 48 P CB -0.228 31.576 31.700 0.172 0.000 0.787 49 Q N -0.579 119.210 119.800 -0.018 0.000 2.046 49 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 49 Q C 2.196 178.142 176.000 -0.090 0.000 0.975 49 Q CA 1.833 57.620 55.803 -0.026 0.000 0.836 49 Q CB -1.451 27.302 28.738 0.025 0.000 0.896 49 Q HN 0.314 nan 8.270 nan 0.000 0.428 50 V N -1.602 118.231 119.914 -0.135 0.000 2.535 50 V HA 0.167 4.287 4.120 0.000 0.000 0.246 50 V C 2.271 178.173 176.094 -0.321 0.000 1.045 50 V CA 1.268 63.461 62.300 -0.179 0.000 1.058 50 V CB -1.124 30.624 31.823 -0.126 0.000 0.689 50 V HN 0.183 nan 8.190 nan 0.000 0.461 51 A N 0.449 122.921 122.820 -0.580 0.000 2.172 51 A HA 0.345 4.665 4.320 0.000 0.000 0.216 51 A C 2.259 179.638 177.584 -0.342 0.000 1.154 51 A CA 1.553 53.204 52.037 -0.644 0.000 0.701 51 A CB -0.608 17.655 19.000 -1.230 0.000 0.789 51 A HN 0.881 nan 8.150 nan 0.000 0.465 52 A N -0.595 122.079 122.820 -0.243 0.000 2.081 52 A HA 0.104 4.424 4.320 0.000 0.000 0.214 52 A C 2.071 179.588 177.584 -0.111 0.000 1.158 52 A CA 1.703 53.654 52.037 -0.142 0.000 0.724 52 A CB -0.531 18.414 19.000 -0.092 0.000 0.826 52 A HN 0.640 nan 8.150 nan 0.000 0.463 53 T N -5.495 108.990 114.554 -0.115 0.000 3.069 53 T HA 0.451 4.801 4.350 0.000 0.000 0.252 53 T C 1.293 175.939 174.700 -0.089 0.000 1.053 53 T CA 1.069 63.118 62.100 -0.084 0.000 0.964 53 T CB 0.568 69.398 68.868 -0.063 0.000 1.005 53 T HN 1.477 nan 8.240 nan 0.000 0.532 54 G N 0.988 109.717 108.800 -0.119 0.000 2.238 54 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 54 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 54 G C -0.256 174.571 174.900 -0.121 0.000 0.996 54 G CA -0.050 44.984 45.100 -0.110 0.000 0.632 54 G HN 0.581 nan 8.290 nan 0.000 0.503 55 D N 0.017 120.340 120.400 -0.130 0.000 2.511 55 D HA 0.665 5.305 4.640 0.000 0.000 0.276 55 D C 1.008 177.189 176.300 -0.199 0.000 1.220 55 D CA 1.193 55.117 54.000 -0.126 0.000 1.077 55 D CB 0.684 41.435 40.800 -0.082 0.000 1.126 55 D HN 1.376 nan 8.370 nan 0.000 0.583 56 G N -1.013 107.669 108.800 -0.198 0.000 2.331 56 G HA2 0.052 4.012 3.960 0.000 0.000 0.479 56 G HA3 0.052 4.012 3.960 0.000 0.000 0.479 56 G C -2.835 171.810 174.900 -0.424 0.000 1.262 56 G CA -0.988 43.907 45.100 -0.341 0.000 1.029 56 G HN 0.452 nan 8.290 nan 0.000 0.487 57 P HA 0.329 nan 4.420 nan 0.000 0.275 57 P C 0.046 177.166 177.300 -0.300 0.000 1.227 57 P CA 0.075 62.758 63.100 -0.695 0.000 0.781 57 P CB 1.294 32.241 31.700 -1.254 0.000 0.906 58 D N 1.250 121.535 120.400 -0.191 0.000 2.104 58 D HA -0.095 4.545 4.640 0.000 0.000 0.194 58 D C 0.908 177.145 176.300 -0.104 0.000 0.994 58 D CA 1.437 55.371 54.000 -0.110 0.000 0.830 58 D CB -0.083 40.674 40.800 -0.072 0.000 0.959 58 D HN 0.532 nan 8.370 nan 0.000 0.452 59 I N -2.434 118.072 120.570 -0.106 0.000 2.646 59 I HA 0.553 4.723 4.170 0.000 0.000 0.299 59 I C -1.133 174.888 176.117 -0.159 0.000 1.036 59 I CA -1.137 60.093 61.300 -0.118 0.000 1.074 59 I CB 2.427 40.407 38.000 -0.033 0.000 1.258 59 I HN -0.219 nan 8.210 nan 0.000 0.430 60 I N 4.522 124.919 120.570 -0.289 0.000 2.892 60 I HA 0.640 4.810 4.170 0.000 0.000 0.306 60 I C -1.816 174.225 176.117 -0.127 0.000 1.078 60 I CA -0.538 60.587 61.300 -0.291 0.000 1.032 60 I CB 2.231 39.688 38.000 -0.904 0.000 1.229 60 I HN 0.587 nan 8.210 nan 0.000 0.435 61 F N 6.313 126.388 119.950 0.208 0.000 2.949 61 F HA 0.429 4.956 4.527 -0.000 0.000 0.376 61 F C -1.213 174.816 175.800 0.381 0.000 1.205 61 F CA -0.383 57.801 58.000 0.307 0.000 1.155 61 F CB 0.953 40.065 39.000 0.185 0.000 1.495 61 F HN 0.345 nan 8.300 nan 0.000 0.551 62 W N 1.967 123.582 121.300 0.526 0.000 3.018 62 W HA 0.752 5.412 4.660 0.000 0.000 0.352 62 W C -1.049 175.524 176.519 0.090 0.000 1.230 62 W CA -1.566 55.994 57.345 0.358 0.000 1.162 62 W CB 1.780 31.505 29.460 0.442 0.000 1.483 62 W HN 0.443 nan 8.180 nan 0.000 0.584 63 A N 1.323 124.661 122.820 0.864 0.000 2.540 63 A HA 0.033 4.354 4.320 0.000 0.000 0.239 63 A C 0.885 178.491 177.584 0.037 0.000 1.061 63 A CA 0.965 53.220 52.037 0.363 0.000 0.758 63 A CB -0.394 18.826 19.000 0.367 0.000 0.991 63 A HN 0.747 nan 8.150 nan 0.000 0.502 64 H N 0.538 119.507 119.070 -0.168 0.000 2.567 64 H HA -0.023 4.533 4.556 0.000 0.000 0.276 64 H C 0.723 176.052 175.328 0.002 0.000 1.016 64 H CA 1.084 56.988 56.048 -0.239 0.000 1.186 64 H CB -0.281 29.367 29.762 -0.189 0.000 1.351 64 H HN 0.745 nan 8.280 nan 0.000 0.605 65 D N -0.377 119.688 120.400 -0.558 0.000 2.378 65 D HA -0.113 4.527 4.640 0.000 0.000 0.222 65 D C 1.851 177.997 176.300 -0.257 0.000 0.980 65 D CA 0.338 54.083 54.000 -0.426 0.000 0.907 65 D CB 0.056 40.630 40.800 -0.378 0.000 0.899 65 D HN 0.205 nan 8.370 nan 0.000 0.527 66 R N -0.763 119.635 120.500 -0.170 0.000 2.257 66 R HA 0.250 4.591 4.340 0.000 0.000 0.195 66 R C 1.632 177.897 176.300 -0.058 0.000 0.921 66 R CA -0.012 55.953 56.100 -0.225 0.000 1.069 66 R CB -0.697 29.384 30.300 -0.364 0.000 1.115 66 R HN 0.283 nan 8.270 nan 0.000 0.571 67 F N 0.457 120.435 119.950 0.046 0.000 2.287 67 F HA -0.199 4.328 4.527 0.000 0.000 0.301 67 F C 2.227 178.067 175.800 0.067 0.000 1.069 67 F CA 0.895 59.041 58.000 0.243 0.000 1.372 67 F CB -0.106 39.031 39.000 0.228 0.000 1.056 67 F HN 0.199 nan 8.300 nan 0.000 0.523 68 G N -0.177 108.711 108.800 0.145 0.000 2.404 68 G HA2 -0.181 3.779 3.960 0.000 0.000 0.215 68 G HA3 -0.181 3.779 3.960 0.000 0.000 0.215 68 G C 1.938 176.706 174.900 -0.220 0.000 1.174 68 G CA 0.718 45.819 45.100 0.003 0.000 0.780 68 G HN 0.449 nan 8.290 nan 0.000 0.537 69 G N -0.554 108.116 108.800 -0.216 0.000 2.471 69 G HA2 -0.092 3.868 3.960 0.000 0.000 0.219 69 G HA3 -0.092 3.868 3.960 0.000 0.000 0.219 69 G C 1.500 176.254 174.900 -0.244 0.000 1.125 69 G CA 0.655 45.595 45.100 -0.267 0.000 0.775 69 G HN 0.517 nan 8.290 nan 0.000 0.548 70 Y N 0.730 120.963 120.300 -0.113 0.000 2.114 70 Y HA 0.051 4.602 4.550 0.001 0.000 0.284 70 Y C 3.187 178.989 175.900 -0.162 0.000 1.119 70 Y CA 0.641 58.681 58.100 -0.100 0.000 1.108 70 Y CB -0.138 38.239 38.460 -0.137 0.000 0.995 70 Y HN 0.220 nan 8.280 nan 0.000 0.491 71 A N 0.004 122.792 122.820 -0.053 0.000 2.125 71 A HA -0.260 4.060 4.320 0.000 0.000 0.219 71 A C 2.056 179.431 177.584 -0.349 0.000 1.156 71 A CA 1.715 53.650 52.037 -0.169 0.000 0.671 71 A CB -0.786 18.133 19.000 -0.136 0.000 0.794 71 A HN 0.635 nan 8.150 nan 0.000 0.459 72 Q N -0.243 119.251 119.800 -0.510 0.000 2.123 72 Q HA -0.078 4.262 4.340 0.000 0.000 0.199 72 Q C 1.536 177.448 176.000 -0.146 0.000 0.966 72 Q CA 1.707 57.251 55.803 -0.432 0.000 0.845 72 Q CB -0.164 28.351 28.738 -0.373 0.000 0.907 72 Q HN 0.485 nan 8.270 nan 0.000 0.439 73 S N -0.564 115.073 115.700 -0.106 0.000 2.607 73 S HA 0.170 4.641 4.470 0.000 0.000 0.224 73 S C 1.021 175.593 174.600 -0.048 0.000 0.969 73 S CA 0.548 58.717 58.200 -0.053 0.000 0.927 73 S CB 0.301 63.483 63.200 -0.031 0.000 0.772 73 S HN 0.745 nan 8.310 nan 0.000 0.533 74 G N 1.264 110.030 108.800 -0.057 0.000 2.136 74 G HA2 -0.248 3.712 3.960 0.000 0.000 0.242 74 G HA3 -0.248 3.712 3.960 0.000 0.000 0.242 74 G C 0.606 175.485 174.900 -0.036 0.000 0.989 74 G CA 0.379 45.456 45.100 -0.037 0.000 0.682 74 G HN 0.511 nan 8.290 nan 0.000 0.522 75 L N -0.839 120.365 121.223 -0.031 0.000 2.217 75 L HA 0.276 4.617 4.340 0.000 0.000 0.211 75 L C 1.622 178.474 176.870 -0.030 0.000 1.107 75 L CA 0.569 55.387 54.840 -0.037 0.000 0.783 75 L CB -0.248 41.801 42.059 -0.016 0.000 0.919 75 L HN 0.232 nan 8.230 nan 0.000 0.442 76 L N 0.113 121.317 121.223 -0.031 0.000 2.357 76 L HA 0.514 4.854 4.340 0.000 0.000 0.273 76 L C 0.349 177.197 176.870 -0.036 0.000 1.080 76 L CA -0.488 54.321 54.840 -0.052 0.000 0.803 76 L CB 1.266 43.283 42.059 -0.069 0.000 1.174 76 L HN -0.062 nan 8.230 nan 0.000 0.443 77 A N 1.912 124.704 122.820 -0.047 0.000 2.304 77 A HA 0.323 4.643 4.320 0.000 0.000 0.301 77 A C -0.212 177.344 177.584 -0.047 0.000 1.132 77 A CA -0.453 51.560 52.037 -0.039 0.000 0.819 77 A CB 0.569 19.546 19.000 -0.038 0.000 1.094 77 A HN 0.758 nan 8.150 nan 0.000 0.492 78 E N 1.261 121.441 120.200 -0.035 0.000 2.344 78 E HA 0.353 4.703 4.350 0.000 0.000 0.270 78 E C -0.351 176.209 176.600 -0.067 0.000 1.021 78 E CA -0.226 56.148 56.400 -0.042 0.000 0.887 78 E CB 0.307 29.995 29.700 -0.021 0.000 0.997 78 E HN 0.555 nan 8.360 nan 0.000 0.429 79 I N 1.180 121.682 120.570 -0.113 0.000 2.488 79 I HA 0.376 4.546 4.170 0.000 0.000 0.299 79 I C 0.043 176.105 176.117 -0.092 0.000 0.984 79 I CA -0.716 60.497 61.300 -0.145 0.000 1.250 79 I CB 1.761 39.543 38.000 -0.364 0.000 1.389 79 I HN 0.329 nan 8.210 nan 0.000 0.488 80 T N 1.513 116.040 114.554 -0.045 0.000 3.390 80 T HA 0.444 4.794 4.350 0.000 0.000 0.351 80 T C -2.503 172.184 174.700 -0.021 0.000 1.759 80 T CA -1.425 60.655 62.100 -0.033 0.000 1.561 80 T CB -0.124 68.741 68.868 -0.006 0.000 1.011 80 T HN 0.534 nan 8.240 nan 0.000 0.689 81 P HA 0.262 nan 4.420 nan 0.000 0.288 81 P C 0.024 177.312 177.300 -0.020 0.000 1.363 81 P CA -0.301 62.719 63.100 -0.133 0.000 0.837 81 P CB 0.672 32.109 31.700 -0.438 0.000 0.981 82 D N 2.763 123.212 120.400 0.081 0.000 2.383 82 D HA -0.142 4.498 4.640 0.000 0.000 0.233 82 D C 1.193 177.521 176.300 0.047 0.000 1.233 82 D CA -0.115 53.918 54.000 0.055 0.000 0.881 82 D CB 1.029 41.871 40.800 0.071 0.000 1.212 82 D HN 0.123 nan 8.370 nan 0.000 0.467 83 K N 1.057 121.462 120.400 0.008 0.000 2.144 83 K HA -0.264 4.056 4.320 0.000 0.000 0.209 83 K C 1.965 178.583 176.600 0.029 0.000 1.047 83 K CA 2.292 58.575 56.287 -0.007 0.000 0.927 83 K CB -0.703 31.792 32.500 -0.008 0.000 0.716 83 K HN 0.526 nan 8.250 nan 0.000 0.454 84 A N -0.282 122.570 122.820 0.054 0.000 1.902 84 A HA -0.132 4.188 4.320 0.000 0.000 0.217 84 A C 2.134 179.779 177.584 0.102 0.000 1.181 84 A CA 1.522 53.592 52.037 0.055 0.000 0.623 84 A CB -0.875 18.144 19.000 0.032 0.000 0.818 84 A HN 0.454 nan 8.150 nan 0.000 0.443 85 F N 0.864 120.816 119.950 0.004 0.000 2.134 85 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 85 F C 2.585 178.464 175.800 0.132 0.000 1.097 85 F CA 2.068 60.096 58.000 0.047 0.000 1.264 85 F CB -0.538 38.490 39.000 0.047 0.000 1.001 85 F HN 0.351 nan 8.300 nan 0.000 0.479 86 Q N -0.556 119.435 119.800 0.318 0.000 2.084 86 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 86 Q C 1.817 178.016 176.000 0.332 0.000 0.978 86 Q CA 1.578 57.448 55.803 0.111 0.000 0.844 86 Q CB -0.369 28.128 28.738 -0.403 0.000 0.898 86 Q HN 0.407 nan 8.270 nan 0.000 0.426 87 D N 0.336 120.844 120.400 0.181 0.000 2.264 87 D HA -0.099 4.541 4.640 0.000 0.000 0.208 87 D C 1.528 177.900 176.300 0.118 0.000 0.966 87 D CA 0.844 54.928 54.000 0.141 0.000 0.864 87 D CB 0.233 41.074 40.800 0.067 0.000 0.933 87 D HN -0.016 nan 8.370 nan 0.000 0.499 88 K N -0.007 120.467 120.400 0.123 0.000 2.155 88 K HA 0.120 4.440 4.320 0.000 0.000 0.203 88 K C 0.859 177.464 176.600 0.008 0.000 1.052 88 K CA 0.217 56.515 56.287 0.019 0.000 0.948 88 K CB 0.015 32.476 32.500 -0.064 0.000 0.728 88 K HN 0.125 nan 8.250 nan 0.000 0.448 89 L N 0.662 121.998 121.223 0.188 0.000 2.379 89 L HA 0.232 4.572 4.340 0.000 0.000 0.269 89 L C -0.068 176.871 176.870 0.114 0.000 1.084 89 L CA -1.057 53.825 54.840 0.070 0.000 0.802 89 L CB 0.526 42.539 42.059 -0.076 0.000 1.175 89 L HN 0.047 nan 8.230 nan 0.000 0.448 90 Y N 2.774 123.116 120.300 0.069 0.000 2.712 90 Y HA -0.050 4.500 4.550 0.000 0.000 0.333 90 Y C -1.094 174.950 175.900 0.239 0.000 1.225 90 Y CA -0.800 57.401 58.100 0.168 0.000 1.499 90 Y CB 0.050 38.645 38.460 0.225 0.000 1.288 90 Y HN 0.471 nan 8.280 nan 0.000 0.575 91 P HA -0.273 nan 4.420 nan 0.000 0.216 91 P C 1.309 178.895 177.300 0.477 0.000 1.150 91 P CA 1.813 65.201 63.100 0.480 0.000 0.843 91 P CB -0.190 31.718 31.700 0.347 0.000 0.787 92 F N 0.858 120.945 119.950 0.228 0.000 2.615 92 F HA 0.028 4.555 4.527 0.001 0.000 0.297 92 F C 1.862 177.705 175.800 0.070 0.000 1.124 92 F CA 1.291 59.367 58.000 0.127 0.000 1.451 92 F CB -1.949 37.088 39.000 0.061 0.000 1.103 92 F HN -0.127 nan 8.300 nan 0.000 0.569 93 T N -2.531 111.564 114.554 -0.765 0.000 2.759 93 T HA -0.270 4.080 4.350 0.000 0.000 0.269 93 T C 1.507 175.889 174.700 -0.531 0.000 1.042 93 T CA 1.597 63.169 62.100 -0.879 0.000 1.140 93 T CB -1.328 67.122 68.868 -0.697 0.000 0.864 93 T HN 0.581 nan 8.240 nan 0.000 0.455 94 W N 2.127 123.339 121.300 -0.147 0.000 2.425 94 W HA 0.118 4.778 4.660 -0.000 0.000 0.277 94 W C 1.688 178.167 176.519 -0.067 0.000 1.231 94 W CA 0.290 57.597 57.345 -0.063 0.000 1.248 94 W CB -0.371 29.096 29.460 0.012 0.000 1.117 94 W HN 0.277 nan 8.180 nan 0.000 0.568 95 D N 0.171 120.627 120.400 0.093 0.000 2.309 95 D HA -0.109 4.531 4.640 0.000 0.000 0.212 95 D C 2.009 178.296 176.300 -0.022 0.000 0.968 95 D CA 1.355 55.377 54.000 0.037 0.000 0.882 95 D CB -0.438 40.318 40.800 -0.073 0.000 0.918 95 D HN 0.123 nan 8.370 nan 0.000 0.503 96 A N 0.010 122.725 122.820 -0.174 0.000 2.278 96 A HA 0.240 4.560 4.320 0.000 0.000 0.212 96 A C 0.707 178.163 177.584 -0.213 0.000 1.213 96 A CA 0.030 51.815 52.037 -0.421 0.000 0.840 96 A CB 0.031 18.433 19.000 -0.996 0.000 0.866 96 A HN 0.138 nan 8.150 nan 0.000 0.489 97 V N -1.633 118.290 119.914 0.016 0.000 2.786 97 V HA 0.486 4.606 4.120 0.000 0.000 0.326 97 V C -0.511 175.699 176.094 0.194 0.000 1.185 97 V CA -0.647 61.727 62.300 0.124 0.000 1.355 97 V CB -0.434 31.438 31.823 0.081 0.000 1.275 97 V HN 0.477 nan 8.190 nan 0.000 0.611 98 R N 0.498 121.136 120.500 0.229 0.000 2.855 98 R HA 0.290 4.630 4.340 0.000 0.000 0.261 98 R C -1.818 174.626 176.300 0.239 0.000 1.826 98 R CA -0.561 55.664 56.100 0.209 0.000 1.435 98 R CB 0.573 30.969 30.300 0.160 0.000 1.383 98 R HN 0.512 nan 8.270 nan 0.000 0.583 99 Y N 3.280 123.667 120.300 0.144 0.000 2.436 99 Y HA 0.117 4.668 4.550 0.000 0.000 0.336 99 Y C 0.063 176.013 175.900 0.084 0.000 1.049 99 Y CA 0.861 59.038 58.100 0.128 0.000 1.294 99 Y CB 0.536 39.069 38.460 0.121 0.000 1.179 99 Y HN 0.785 nan 8.280 nan 0.000 0.520 100 N N 5.115 123.651 118.700 -0.272 0.000 2.584 100 N HA -0.267 4.474 4.740 0.000 0.000 0.291 100 N C 0.779 176.274 175.510 -0.025 0.000 1.203 100 N CA 0.541 53.483 53.050 -0.181 0.000 0.735 100 N CB -0.716 37.655 38.487 -0.193 0.000 0.936 100 N HN 1.202 nan 8.380 nan 0.000 0.549 101 G N 1.409 110.191 108.800 -0.029 0.000 5.431 101 G HA2 -0.440 3.520 3.960 0.000 0.000 0.322 101 G HA3 -0.440 3.520 3.960 0.000 0.000 0.322 101 G C -0.055 174.858 174.900 0.021 0.000 1.370 101 G CA 1.051 46.146 45.100 -0.008 0.000 0.963 101 G HN 0.582 nan 8.290 nan 0.000 0.797 102 K N 1.145 121.571 120.400 0.042 0.000 2.237 102 K HA 0.636 4.956 4.320 0.000 0.000 0.270 102 K C -0.207 176.435 176.600 0.070 0.000 1.015 102 K CA -0.519 55.793 56.287 0.042 0.000 0.949 102 K CB 0.841 33.364 32.500 0.038 0.000 0.976 102 K HN 0.265 nan 8.250 nan 0.000 0.472 103 L N 3.008 124.253 121.223 0.037 0.000 2.319 103 L HA 0.206 4.546 4.340 0.000 0.000 0.280 103 L C 0.421 177.308 176.870 0.029 0.000 1.099 103 L CA 0.186 55.057 54.840 0.052 0.000 0.828 103 L CB 0.428 42.492 42.059 0.009 0.000 1.150 103 L HN 0.677 nan 8.230 nan 0.000 0.442 104 I N 0.539 121.156 120.570 0.080 0.000 3.833 104 I HA 0.848 5.018 4.170 0.000 0.000 0.328 104 I C 0.219 176.386 176.117 0.083 0.000 1.554 104 I CA -0.127 61.216 61.300 0.071 0.000 1.116 104 I CB 0.200 38.281 38.000 0.135 0.000 1.182 104 I HN 0.483 nan 8.210 nan 0.000 0.459 105 A N -0.077 122.737 122.820 -0.009 0.000 2.549 105 A HA 0.571 4.891 4.320 0.000 0.000 0.297 105 A C -1.950 175.558 177.584 -0.127 0.000 0.983 105 A CA -0.648 51.370 52.037 -0.032 0.000 0.654 105 A CB 0.188 19.356 19.000 0.280 0.000 1.319 105 A HN 0.168 nan 8.150 nan 0.000 0.428 106 Y N 1.736 122.065 120.300 0.049 0.000 2.350 106 Y HA 0.455 5.005 4.550 0.000 0.000 0.340 106 Y C -1.865 173.975 175.900 -0.100 0.000 1.006 106 Y CA -1.816 56.275 58.100 -0.015 0.000 1.166 106 Y CB 1.230 39.693 38.460 0.006 0.000 1.168 106 Y HN 0.456 nan 8.280 nan 0.000 0.502 107 P HA 0.050 nan 4.420 nan 0.000 0.275 107 P C -0.175 177.091 177.300 -0.056 0.000 1.227 107 P CA 0.218 63.230 63.100 -0.148 0.000 0.781 107 P CB 1.730 33.224 31.700 -0.342 0.000 0.906 108 I N 1.422 122.009 120.570 0.027 0.000 4.083 108 I HA 0.244 4.414 4.170 0.000 0.000 0.240 108 I C 0.987 177.154 176.117 0.084 0.000 1.088 108 I CA 0.087 61.445 61.300 0.097 0.000 1.651 108 I CB -1.313 36.821 38.000 0.223 0.000 1.573 108 I HN 0.256 nan 8.210 nan 0.000 0.451 109 A N 1.963 124.850 122.820 0.113 0.000 2.271 109 A HA 0.587 4.908 4.320 0.000 0.000 0.317 109 A C -0.611 177.050 177.584 0.130 0.000 1.245 109 A CA -0.263 51.849 52.037 0.126 0.000 0.857 109 A CB 1.187 20.274 19.000 0.145 0.000 1.175 109 A HN 0.086 nan 8.150 nan 0.000 0.512 110 V N 3.803 123.791 119.914 0.123 0.000 2.532 110 V HA 0.806 4.926 4.120 0.000 0.000 0.295 110 V C -0.877 175.337 176.094 0.200 0.000 1.041 110 V CA -0.137 62.251 62.300 0.146 0.000 0.926 110 V CB 1.462 33.351 31.823 0.110 0.000 0.992 110 V HN 1.049 nan 8.190 nan 0.000 0.457 111 E N 5.704 126.052 120.200 0.247 0.000 2.451 111 E HA 0.652 5.002 4.350 0.000 0.000 0.295 111 E C -1.510 175.275 176.600 0.309 0.000 0.966 111 E CA -0.582 55.974 56.400 0.261 0.000 0.808 111 E CB 1.311 31.175 29.700 0.274 0.000 1.242 111 E HN 0.964 nan 8.360 nan 0.000 0.412 112 A N 2.754 125.726 122.820 0.253 0.000 2.423 112 A HA 0.665 4.985 4.320 0.000 0.000 0.304 112 A C -0.678 176.982 177.584 0.127 0.000 1.104 112 A CA -0.881 51.323 52.037 0.278 0.000 0.757 112 A CB 0.960 20.119 19.000 0.265 0.000 1.313 112 A HN 0.506 nan 8.150 nan 0.000 0.423 113 L N 1.203 122.490 121.223 0.107 0.000 2.529 113 L HA 0.201 4.542 4.340 0.000 0.000 0.287 113 L C 0.674 177.484 176.870 -0.099 0.000 1.241 113 L CA 1.319 56.103 54.840 -0.093 0.000 0.857 113 L CB 0.551 42.543 42.059 -0.111 0.000 1.113 113 L HN 0.749 nan 8.230 nan 0.000 0.504 114 S N 2.092 117.668 115.700 -0.208 0.000 2.709 114 S HA 0.629 5.099 4.470 0.000 0.000 0.302 114 S C -0.903 173.587 174.600 -0.183 0.000 1.127 114 S CA -0.772 57.337 58.200 -0.150 0.000 0.905 114 S CB 1.690 64.809 63.200 -0.135 0.000 1.151 114 S HN 0.511 nan 8.310 nan 0.000 0.510 115 L N 1.875 123.022 121.223 -0.127 0.000 2.312 115 L HA 0.640 4.980 4.340 0.000 0.000 0.281 115 L C -1.623 175.185 176.870 -0.103 0.000 1.070 115 L CA -0.448 54.308 54.840 -0.140 0.000 0.805 115 L CB 0.342 42.325 42.059 -0.126 0.000 1.174 115 L HN 0.568 nan 8.230 nan 0.000 0.434 116 I N 5.126 125.583 120.570 -0.189 0.000 2.465 116 I HA 0.369 4.539 4.170 0.000 0.000 0.291 116 I C -1.194 174.857 176.117 -0.109 0.000 1.014 116 I CA -0.653 60.514 61.300 -0.221 0.000 1.093 116 I CB 1.651 39.361 38.000 -0.484 0.000 1.267 116 I HN 0.512 nan 8.210 nan 0.000 0.431 117 Y N 3.524 123.861 120.300 0.061 0.000 2.499 117 Y HA 0.521 5.072 4.550 0.000 0.000 0.347 117 Y C -0.542 175.613 175.900 0.425 0.000 0.987 117 Y CA -1.306 56.939 58.100 0.242 0.000 1.044 117 Y CB 0.961 39.476 38.460 0.090 0.000 1.245 117 Y HN 0.507 nan 8.280 nan 0.000 0.461 118 N N 3.647 122.660 118.700 0.523 0.000 2.401 118 N HA 0.070 4.810 4.740 0.000 0.000 0.255 118 N C 0.216 175.872 175.510 0.243 0.000 1.110 118 N CA 0.066 53.239 53.050 0.206 0.000 0.949 118 N CB 0.952 39.404 38.487 -0.058 0.000 1.110 118 N HN 0.954 nan 8.380 nan 0.000 0.490 119 K N 2.392 122.908 120.400 0.192 0.000 2.063 119 K HA -0.157 4.163 4.320 0.000 0.000 0.208 119 K C 0.728 177.410 176.600 0.136 0.000 1.048 119 K CA 1.498 57.925 56.287 0.234 0.000 0.928 119 K CB 0.159 32.737 32.500 0.130 0.000 0.713 119 K HN 0.568 nan 8.250 nan 0.000 0.442 120 D N 1.125 121.569 120.400 0.073 0.000 2.104 120 D HA -0.139 4.501 4.640 0.000 0.000 0.194 120 D C 0.788 177.111 176.300 0.038 0.000 0.994 120 D CA 1.086 55.109 54.000 0.038 0.000 0.830 120 D CB -0.226 40.581 40.800 0.011 0.000 0.959 120 D HN 0.182 nan 8.370 nan 0.000 0.452 121 L N 1.358 122.607 121.223 0.044 0.000 2.268 121 L HA 0.293 4.633 4.340 0.000 0.000 0.289 121 L C 0.050 176.956 176.870 0.060 0.000 1.064 121 L CA -0.782 54.081 54.840 0.039 0.000 0.824 121 L CB 0.691 42.766 42.059 0.027 0.000 1.202 121 L HN 0.009 nan 8.230 nan 0.000 0.433 122 L N 5.859 127.101 121.223 0.031 0.000 2.975 122 L HA -0.139 4.201 4.340 0.000 0.000 0.628 122 L C -2.020 174.860 176.870 0.017 0.000 1.006 122 L CA -0.137 54.706 54.840 0.005 0.000 1.321 122 L CB -0.119 41.930 42.059 -0.016 0.000 1.705 122 L HN 0.441 nan 8.230 nan 0.000 0.822 123 P HA 0.012 nan 4.420 nan 0.000 0.239 123 P C 0.019 177.291 177.300 -0.047 0.000 1.188 123 P CA 0.797 63.922 63.100 0.043 0.000 0.794 123 P CB 0.198 31.919 31.700 0.035 0.000 0.937 124 N N 0.963 119.587 118.700 -0.128 0.000 2.626 124 N HA 0.214 4.955 4.740 0.000 0.000 0.242 124 N C -2.381 172.956 175.510 -0.288 0.000 1.005 124 N CA -1.879 51.060 53.050 -0.185 0.000 0.905 124 N CB 1.322 39.746 38.487 -0.106 0.000 1.128 124 N HN -0.099 nan 8.380 nan 0.000 0.512 125 P HA 0.069 nan 4.420 nan 0.000 0.267 125 P C -2.629 174.480 177.300 -0.318 0.000 1.201 125 P CA -0.598 62.153 63.100 -0.581 0.000 0.775 125 P CB -0.101 31.104 31.700 -0.824 0.000 0.854 126 P HA 0.157 nan 4.420 nan 0.000 0.272 126 P C 0.108 177.282 177.300 -0.211 0.000 1.230 126 P CA 0.006 62.979 63.100 -0.212 0.000 0.788 126 P CB 0.887 32.455 31.700 -0.220 0.000 0.949 127 K N -0.514 119.788 120.400 -0.163 0.000 2.592 127 K HA 0.215 4.535 4.320 0.000 0.000 0.203 127 K C -0.474 176.059 176.600 -0.112 0.000 1.070 127 K CA 0.025 56.229 56.287 -0.138 0.000 1.062 127 K CB 0.628 33.070 32.500 -0.097 0.000 0.814 127 K HN 0.505 nan 8.250 nan 0.000 0.502 128 T N -1.555 112.916 114.554 -0.138 0.000 3.193 128 T HA 0.223 4.573 4.350 0.000 0.000 0.332 128 T C -1.599 173.038 174.700 -0.106 0.000 1.208 128 T CA -0.527 61.529 62.100 -0.074 0.000 1.080 128 T CB 0.363 69.223 68.868 -0.013 0.000 1.180 128 T HN 0.225 nan 8.240 nan 0.000 0.469 129 W N 3.957 125.176 121.300 -0.134 0.000 1.113 129 W HA 0.345 5.005 4.660 0.000 0.000 0.544 129 W C 1.207 177.478 176.519 -0.413 0.000 0.576 129 W CA -0.028 57.151 57.345 -0.278 0.000 2.557 129 W CB -0.064 29.075 29.460 -0.535 0.000 1.173 129 W HN 0.841 nan 8.180 nan 0.000 0.190 130 E N -0.997 119.242 120.200 0.065 0.000 2.662 130 E HA -0.063 4.288 4.350 0.000 0.000 0.205 130 E C 1.644 178.332 176.600 0.147 0.000 1.003 130 E CA 0.127 56.605 56.400 0.129 0.000 1.685 130 E CB 0.129 29.866 29.700 0.062 0.000 2.386 130 E HN 0.173 nan 8.360 nan 0.000 1.092 131 E N 1.370 121.604 120.200 0.056 0.000 2.268 131 E HA -0.132 4.218 4.350 0.000 0.000 0.195 131 E C 1.605 178.212 176.600 0.012 0.000 0.995 131 E CA 0.717 57.126 56.400 0.016 0.000 0.836 131 E CB 0.098 29.778 29.700 -0.033 0.000 0.763 131 E HN 0.262 nan 8.360 nan 0.000 0.491 132 I N 1.241 121.844 120.570 0.055 0.000 2.087 132 I HA -0.225 3.945 4.170 0.000 0.000 0.240 132 I C -0.548 175.499 176.117 -0.117 0.000 1.054 132 I CA 1.584 62.899 61.300 0.024 0.000 1.311 132 I CB -2.635 35.482 38.000 0.194 0.000 1.024 132 I HN 0.021 nan 8.210 nan 0.000 0.402 133 P HA -0.154 nan 4.420 nan 0.000 0.215 133 P C 1.797 178.983 177.300 -0.190 0.000 1.157 133 P CA 2.411 65.217 63.100 -0.490 0.000 0.874 133 P CB -0.047 31.571 31.700 -0.138 0.000 0.790 134 A N -1.206 121.586 122.820 -0.046 0.000 1.877 134 A HA -0.162 4.158 4.320 0.000 0.000 0.216 134 A C 2.142 179.716 177.584 -0.016 0.000 1.186 134 A CA 1.491 53.525 52.037 -0.005 0.000 0.620 134 A CB -1.641 17.365 19.000 0.011 0.000 0.822 134 A HN 0.089 nan 8.150 nan 0.000 0.443 135 L N -0.070 121.132 121.223 -0.034 0.000 2.141 135 L HA -0.155 4.185 4.340 0.000 0.000 0.209 135 L C 2.122 178.982 176.870 -0.018 0.000 1.094 135 L CA 2.051 56.873 54.840 -0.029 0.000 0.763 135 L CB -0.485 41.548 42.059 -0.044 0.000 0.908 135 L HN 0.481 nan 8.230 nan 0.000 0.437 136 D N -0.478 119.900 120.400 -0.037 0.000 2.084 136 D HA -0.208 4.432 4.640 0.000 0.000 0.194 136 D C 2.169 178.497 176.300 0.048 0.000 0.990 136 D CA 1.286 55.291 54.000 0.009 0.000 0.826 136 D CB 0.113 40.914 40.800 0.003 0.000 0.971 136 D HN 0.017 nan 8.370 nan 0.000 0.453 137 K N 0.034 120.467 120.400 0.055 0.000 2.103 137 K HA -0.194 4.127 4.320 0.000 0.000 0.207 137 K C 2.098 178.722 176.600 0.040 0.000 1.048 137 K CA 1.422 57.749 56.287 0.066 0.000 0.930 137 K CB -0.234 32.312 32.500 0.077 0.000 0.716 137 K HN 0.531 nan 8.250 nan 0.000 0.444 138 E N 0.460 120.675 120.200 0.025 0.000 2.208 138 E HA -0.123 4.227 4.350 0.000 0.000 0.193 138 E C 1.820 178.431 176.600 0.017 0.000 0.988 138 E CA 0.794 57.205 56.400 0.017 0.000 0.828 138 E CB -0.073 29.631 29.700 0.007 0.000 0.763 138 E HN 0.202 nan 8.360 nan 0.000 0.478 139 L N -0.290 120.945 121.223 0.020 0.000 2.416 139 L HA 0.145 4.485 4.340 0.000 0.000 0.216 139 L C 2.294 179.180 176.870 0.027 0.000 1.098 139 L CA 0.138 54.991 54.840 0.021 0.000 0.840 139 L CB 0.032 42.105 42.059 0.023 0.000 0.981 139 L HN 0.018 nan 8.230 nan 0.000 0.462 140 K N 1.150 121.571 120.400 0.036 0.000 2.032 140 K HA -0.111 4.209 4.320 0.000 0.000 0.209 140 K C 2.052 178.669 176.600 0.028 0.000 1.048 140 K CA 1.619 57.929 56.287 0.039 0.000 0.927 140 K CB -0.298 32.235 32.500 0.055 0.000 0.712 140 K HN 0.230 nan 8.250 nan 0.000 0.441 141 A N 0.217 123.052 122.820 0.026 0.000 2.121 141 A HA -0.126 4.194 4.320 0.000 0.000 0.218 141 A C 1.930 179.522 177.584 0.014 0.000 1.154 141 A CA 1.358 53.406 52.037 0.019 0.000 0.679 141 A CB -0.323 18.688 19.000 0.018 0.000 0.795 141 A HN 0.254 nan 8.150 nan 0.000 0.458 142 K N -1.372 119.037 120.400 0.014 0.000 2.305 142 K HA 0.121 4.441 4.320 0.000 0.000 0.199 142 K C 0.901 177.507 176.600 0.009 0.000 1.047 142 K CA 0.825 57.118 56.287 0.010 0.000 0.976 142 K CB -0.074 32.431 32.500 0.009 0.000 0.765 142 K HN 0.660 nan 8.250 nan 0.000 0.474 143 G N 1.056 109.863 108.800 0.012 0.000 2.145 143 G HA2 -0.117 3.843 3.960 0.000 0.000 0.145 143 G HA3 -0.117 3.843 3.960 0.000 0.000 0.145 143 G C -0.422 174.485 174.900 0.011 0.000 1.017 143 G CA -0.339 44.767 45.100 0.011 0.000 0.682 143 G HN 0.070 nan 8.290 nan 0.000 0.504 144 K N -0.079 120.331 120.400 0.017 0.000 2.261 144 K HA 0.863 5.183 4.320 0.000 0.000 0.242 144 K C 0.326 176.946 176.600 0.033 0.000 1.083 144 K CA 0.009 56.308 56.287 0.020 0.000 0.880 144 K CB 1.424 33.933 32.500 0.016 0.000 1.353 144 K HN 0.594 nan 8.250 nan 0.000 0.486 145 S N -1.358 114.368 115.700 0.042 0.000 2.689 145 S HA 0.680 5.150 4.470 0.000 0.000 0.306 145 S C 0.652 175.291 174.600 0.064 0.000 1.104 145 S CA -0.318 57.917 58.200 0.058 0.000 0.973 145 S CB 1.777 65.016 63.200 0.065 0.000 1.121 145 S HN 0.568 nan 8.310 nan 0.000 0.523 146 A N 0.146 123.007 122.820 0.069 0.000 1.862 146 A HA 0.535 4.855 4.320 0.000 0.000 0.211 146 A C 0.411 178.041 177.584 0.078 0.000 1.220 146 A CA 0.684 52.755 52.037 0.057 0.000 0.616 146 A CB -0.588 18.430 19.000 0.030 0.000 0.878 146 A HN 0.788 nan 8.150 nan 0.000 0.453 147 L N -1.483 119.802 121.223 0.104 0.000 2.393 147 L HA 0.758 5.098 4.340 0.000 0.000 0.260 147 L C -1.127 175.855 176.870 0.187 0.000 1.002 147 L CA -0.186 54.738 54.840 0.140 0.000 0.818 147 L CB 2.038 44.178 42.059 0.134 0.000 1.369 147 L HN 0.367 nan 8.230 nan 0.000 0.412 148 M N 5.212 124.941 119.600 0.214 0.000 2.265 148 M HA 0.384 4.864 4.480 0.000 0.000 0.251 148 M C -1.715 174.729 176.300 0.239 0.000 1.005 148 M CA -0.283 55.132 55.300 0.191 0.000 0.998 148 M CB 1.616 34.283 32.600 0.113 0.000 2.070 148 M HN 0.594 nan 8.290 nan 0.000 0.476 149 F N 1.113 121.105 119.950 0.070 0.000 2.675 149 F HA 0.689 5.216 4.527 0.000 0.000 0.324 149 F C -0.464 175.426 175.800 0.151 0.000 1.106 149 F CA -1.176 56.870 58.000 0.076 0.000 0.970 149 F CB 0.899 39.958 39.000 0.098 0.000 1.385 149 F HN 0.424 nan 8.300 nan 0.000 0.489 150 N N 1.923 120.758 118.700 0.226 0.000 2.416 150 N HA 0.160 4.900 4.740 0.000 0.000 0.265 150 N C 0.251 175.750 175.510 -0.019 0.000 1.195 150 N CA 0.013 53.197 53.050 0.222 0.000 0.943 150 N CB 0.599 39.514 38.487 0.714 0.000 1.115 150 N HN 0.808 nan 8.380 nan 0.000 0.481 151 L N 2.096 123.179 121.223 -0.233 0.000 2.202 151 L HA 0.001 4.342 4.340 0.000 0.000 0.205 151 L C 1.790 178.630 176.870 -0.051 0.000 1.083 151 L CA 0.305 55.022 54.840 -0.205 0.000 0.790 151 L CB -0.344 41.574 42.059 -0.235 0.000 0.942 151 L HN 0.475 nan 8.230 nan 0.000 0.452 152 Q N 0.476 120.254 119.800 -0.038 0.000 2.376 152 Q HA -0.131 4.209 4.340 0.000 0.000 0.211 152 Q C 0.346 176.308 176.000 -0.062 0.000 0.986 152 Q CA 1.081 56.865 55.803 -0.032 0.000 0.886 152 Q CB -0.361 28.370 28.738 -0.011 0.000 0.927 152 Q HN 0.370 nan 8.270 nan 0.000 0.457 153 E N -0.250 119.887 120.200 -0.105 0.000 2.199 153 E HA 0.196 4.546 4.350 0.000 0.000 0.269 153 E C -2.024 174.483 176.600 -0.155 0.000 0.899 153 E CA -2.401 53.847 56.400 -0.255 0.000 0.772 153 E CB 1.800 31.115 29.700 -0.642 0.000 1.155 153 E HN -0.206 nan 8.360 nan 0.000 0.408 154 P HA -0.036 nan 4.420 nan 0.000 0.239 154 P C 0.728 178.242 177.300 0.356 0.000 1.188 154 P CA 0.237 63.434 63.100 0.162 0.000 0.794 154 P CB 0.094 31.894 31.700 0.168 0.000 0.937 155 Y N 0.869 121.142 120.300 -0.044 0.000 2.333 155 Y HA -0.114 4.436 4.550 0.000 0.000 0.290 155 Y C 1.180 177.440 175.900 0.601 0.000 1.144 155 Y CA 0.843 59.057 58.100 0.191 0.000 1.228 155 Y CB -0.891 37.497 38.460 -0.120 0.000 0.985 155 Y HN -0.169 nan 8.280 nan 0.000 0.542 156 F N -0.904 119.229 119.950 0.306 0.000 2.727 156 F HA 0.191 4.718 4.527 0.000 0.000 0.302 156 F C 2.075 178.072 175.800 0.328 0.000 1.097 156 F CA 0.567 58.703 58.000 0.227 0.000 1.330 156 F CB -1.272 37.918 39.000 0.316 0.000 1.084 156 F HN 0.058 nan 8.300 nan 0.000 0.578 157 T N -4.354 110.519 114.554 0.531 0.000 3.056 157 T HA -0.102 4.248 4.350 0.000 0.000 0.241 157 T C 1.846 176.745 174.700 0.332 0.000 1.006 157 T CA 0.081 62.431 62.100 0.416 0.000 1.115 157 T CB -0.829 68.264 68.868 0.375 0.000 0.939 157 T HN 0.372 nan 8.240 nan 0.000 0.462 158 W N 3.279 124.751 121.300 0.287 0.000 2.290 158 W HA -0.150 4.511 4.660 0.000 0.000 0.318 158 W C -1.578 175.029 176.519 0.146 0.000 1.248 158 W CA 2.068 59.579 57.345 0.277 0.000 1.263 158 W CB -1.455 28.335 29.460 0.551 0.000 1.147 158 W HN 0.247 nan 8.180 nan 0.000 0.494 159 P HA -0.270 nan 4.420 nan 0.000 0.222 159 P C 1.882 179.134 177.300 -0.080 0.000 1.154 159 P CA 2.468 65.641 63.100 0.122 0.000 0.874 159 P CB -0.581 31.220 31.700 0.169 0.000 0.787 160 L N -2.299 118.792 121.223 -0.220 0.000 2.349 160 L HA 0.098 4.438 4.340 0.000 0.000 0.200 160 L C 2.332 178.943 176.870 -0.432 0.000 1.064 160 L CA 0.610 55.147 54.840 -0.504 0.000 0.821 160 L CB -0.373 41.133 42.059 -0.921 0.000 1.027 160 L HN -0.221 nan 8.230 nan 0.000 0.476 161 I N 0.855 121.208 120.570 -0.362 0.000 2.194 161 I HA -0.295 3.875 4.170 0.000 0.000 0.246 161 I C 2.460 178.290 176.117 -0.478 0.000 1.093 161 I CA 1.482 62.571 61.300 -0.352 0.000 1.355 161 I CB -0.543 37.305 38.000 -0.253 0.000 1.046 161 I HN 0.314 nan 8.210 nan 0.000 0.413 162 A N 0.379 122.736 122.820 -0.772 0.000 2.178 162 A HA 0.328 4.648 4.320 0.000 0.000 0.211 162 A C 2.407 179.806 177.584 -0.309 0.000 1.157 162 A CA 0.766 52.356 52.037 -0.746 0.000 0.780 162 A CB -0.447 17.790 19.000 -1.271 0.000 0.828 162 A HN 0.372 nan 8.150 nan 0.000 0.476 163 A N -0.076 122.614 122.820 -0.216 0.000 2.186 163 A HA -0.170 4.150 4.320 0.000 0.000 0.219 163 A C 1.628 179.227 177.584 0.025 0.000 1.159 163 A CA 1.982 53.990 52.037 -0.049 0.000 0.680 163 A CB -0.405 18.590 19.000 -0.008 0.000 0.787 163 A HN 0.588 nan 8.150 nan 0.000 0.467 164 D N -3.511 116.900 120.400 0.018 0.000 2.422 164 D HA 0.282 4.922 4.640 0.000 0.000 0.218 164 D C 1.338 177.620 176.300 -0.029 0.000 1.047 164 D CA 1.181 55.163 54.000 -0.031 0.000 0.885 164 D CB 0.329 41.089 40.800 -0.066 0.000 1.035 164 D HN 0.284 nan 8.370 nan 0.000 0.502 165 G N -0.703 108.085 108.800 -0.020 0.000 3.851 165 G HA2 0.168 4.128 3.960 0.000 0.000 0.194 165 G HA3 0.168 4.128 3.960 0.000 0.000 0.194 165 G C 0.784 175.730 174.900 0.077 0.000 1.402 165 G CA 0.031 45.151 45.100 0.035 0.000 0.901 165 G HN 0.372 nan 8.290 nan 0.000 0.685 166 G N -0.286 108.466 108.800 -0.080 0.000 2.614 166 G HA2 0.412 4.372 3.960 0.000 0.000 0.239 166 G HA3 0.412 4.372 3.960 0.000 0.000 0.239 166 G C 0.303 175.234 174.900 0.051 0.000 1.240 166 G CA 0.968 45.966 45.100 -0.170 0.000 0.842 166 G HN 1.054 nan 8.290 nan 0.000 0.584 167 Y N -2.170 118.312 120.300 0.304 0.000 2.473 167 Y HA 0.509 5.059 4.550 0.000 0.000 0.291 167 Y C 1.131 177.305 175.900 0.456 0.000 1.042 167 Y CA 0.684 59.070 58.100 0.476 0.000 0.996 167 Y CB -0.412 38.189 38.460 0.234 0.000 1.385 167 Y HN 1.583 nan 8.280 nan 0.000 0.578 168 A N 0.915 123.800 122.820 0.109 0.000 5.000 168 A HA -0.118 4.202 4.320 0.000 0.000 0.241 168 A C -0.775 176.702 177.584 -0.178 0.000 2.387 168 A CA 0.283 52.145 52.037 -0.292 0.000 0.712 168 A CB -2.158 16.285 19.000 -0.928 0.000 0.928 168 A HN 0.456 nan 8.150 nan 0.000 0.309 169 F N 2.059 122.094 119.950 0.141 0.000 2.438 169 F HA 0.552 5.079 4.527 0.000 0.000 0.356 169 F C 0.869 176.934 175.800 0.441 0.000 1.099 169 F CA 0.492 58.647 58.000 0.258 0.000 1.185 169 F CB 0.952 40.027 39.000 0.126 0.000 1.115 169 F HN 0.582 nan 8.300 nan 0.000 0.526 170 K N 2.963 123.685 120.400 0.536 0.000 2.350 170 K HA 0.072 4.392 4.320 0.000 0.000 0.279 170 K C -1.224 175.490 176.600 0.189 0.000 1.027 170 K CA -0.379 56.051 56.287 0.239 0.000 0.969 170 K CB 0.391 32.942 32.500 0.085 0.000 0.954 170 K HN 0.724 nan 8.250 nan 0.000 0.474 171 Y N 3.862 124.126 120.300 -0.061 0.000 2.880 171 Y HA 0.086 4.636 4.550 0.000 0.000 0.329 171 Y C 0.707 176.511 175.900 -0.161 0.000 1.156 171 Y CA 0.064 58.026 58.100 -0.231 0.000 1.348 171 Y CB 0.545 38.828 38.460 -0.296 0.000 1.280 171 Y HN 0.812 nan 8.280 nan 0.000 0.516 172 E N 2.164 122.209 120.200 -0.259 0.000 2.400 172 E HA 0.014 4.364 4.350 0.000 0.000 0.195 172 E C -0.438 176.015 176.600 -0.245 0.000 1.012 172 E CA 0.538 56.831 56.400 -0.178 0.000 0.875 172 E CB 0.316 29.950 29.700 -0.110 0.000 0.859 172 E HN 0.896 nan 8.360 nan 0.000 0.498 173 N N -2.298 116.123 118.700 -0.465 0.000 3.054 173 N HA 0.113 4.853 4.740 0.000 0.000 0.182 173 N C 0.001 175.162 175.510 -0.581 0.000 1.267 173 N CA -0.016 52.780 53.050 -0.424 0.000 1.495 173 N CB 0.411 38.775 38.487 -0.205 0.000 1.612 173 N HN 0.068 nan 8.380 nan 0.000 0.625 174 G N 0.501 108.552 108.800 -1.248 0.000 2.225 174 G HA2 -0.377 3.583 3.960 0.000 0.000 0.267 174 G HA3 -0.377 3.583 3.960 0.000 0.000 0.267 174 G C 0.891 175.501 174.900 -0.483 0.000 1.024 174 G CA 0.883 45.470 45.100 -0.855 0.000 0.784 174 G HN 0.498 nan 8.290 nan 0.000 0.507 175 K N -0.813 119.268 120.400 -0.532 0.000 2.350 175 K HA 0.152 4.472 4.320 0.000 0.000 0.196 175 K C 0.794 177.345 176.600 -0.082 0.000 1.084 175 K CA 0.234 56.376 56.287 -0.241 0.000 0.967 175 K CB 0.208 32.590 32.500 -0.195 0.000 0.950 175 K HN 0.610 nan 8.250 nan 0.000 0.512 176 Y N 2.230 122.459 120.300 -0.119 0.000 3.001 176 Y HA -0.238 4.312 4.550 0.000 0.000 0.187 176 Y C -0.557 175.332 175.900 -0.018 0.000 1.462 176 Y CA 0.246 58.348 58.100 0.004 0.000 0.936 176 Y CB -2.180 36.283 38.460 0.005 0.000 1.337 176 Y HN 0.201 nan 8.280 nan 0.000 0.428 177 D N 1.458 121.952 120.400 0.158 0.000 2.536 177 D HA 0.051 4.691 4.640 0.000 0.000 0.260 177 D C 0.679 177.102 176.300 0.205 0.000 1.270 177 D CA 0.267 54.346 54.000 0.131 0.000 0.934 177 D CB 0.314 41.186 40.800 0.119 0.000 1.129 177 D HN 0.341 nan 8.370 nan 0.000 0.533 178 I N 2.849 123.471 120.570 0.086 0.000 3.607 178 I HA 0.122 4.292 4.170 0.000 0.000 0.303 178 I C 1.544 177.785 176.117 0.207 0.000 1.261 178 I CA 0.252 61.584 61.300 0.052 0.000 1.215 178 I CB -0.392 37.536 38.000 -0.120 0.000 1.043 178 I HN 0.259 nan 8.210 nan 0.000 0.465 179 K N 0.730 121.276 120.400 0.242 0.000 2.585 179 K HA 0.119 4.439 4.320 0.000 0.000 0.198 179 K C 0.388 177.100 176.600 0.188 0.000 1.403 179 K CA 0.034 56.431 56.287 0.183 0.000 1.021 179 K CB 0.336 32.905 32.500 0.116 0.000 1.558 179 K HN 0.114 nan 8.250 nan 0.000 0.524 180 D N 1.887 122.413 120.400 0.210 0.000 2.441 180 D HA 0.063 4.703 4.640 0.000 0.000 0.243 180 D C -1.116 175.314 176.300 0.215 0.000 1.257 180 D CA 0.123 54.250 54.000 0.211 0.000 1.027 180 D CB 0.153 41.102 40.800 0.248 0.000 1.084 180 D HN -0.070 nan 8.370 nan 0.000 0.514 181 V N 3.118 123.073 119.914 0.069 0.000 2.370 181 V HA 0.555 4.676 4.120 0.000 0.000 0.279 181 V C 1.174 177.146 176.094 -0.205 0.000 1.029 181 V CA -0.879 61.354 62.300 -0.111 0.000 0.870 181 V CB 1.654 33.393 31.823 -0.141 0.000 0.984 181 V HN 0.563 nan 8.190 nan 0.000 0.451 182 G N 3.096 111.624 108.800 -0.455 0.000 3.444 182 G HA2 0.453 4.414 3.960 0.000 0.000 0.315 182 G HA3 0.453 4.414 3.960 0.000 0.000 0.315 182 G C 0.326 175.106 174.900 -0.200 0.000 1.079 182 G CA 0.090 44.773 45.100 -0.695 0.000 1.500 182 G HN 0.984 nan 8.290 nan 0.000 0.518 183 V N -0.806 119.075 119.914 -0.055 0.000 3.276 183 V HA 0.291 4.412 4.120 0.000 0.000 0.319 183 V C 0.196 176.292 176.094 0.003 0.000 1.476 183 V CA 0.148 62.500 62.300 0.087 0.000 1.097 183 V CB 0.453 32.366 31.823 0.149 0.000 0.988 183 V HN 0.340 nan 8.190 nan 0.000 0.473 184 D N -1.450 118.924 120.400 -0.043 0.000 2.636 184 D HA 0.206 4.847 4.640 0.000 0.000 0.270 184 D C 0.067 176.344 176.300 -0.039 0.000 1.430 184 D CA -0.291 53.690 54.000 -0.033 0.000 0.796 184 D CB -0.459 40.327 40.800 -0.023 0.000 1.117 184 D HN 0.323 nan 8.370 nan 0.000 0.480 185 N N 0.759 119.421 118.700 -0.062 0.000 2.424 185 N HA 0.310 5.050 4.740 0.000 0.000 0.257 185 N C 1.358 176.851 175.510 -0.029 0.000 1.250 185 N CA 0.251 53.274 53.050 -0.045 0.000 0.946 185 N CB 1.095 39.546 38.487 -0.059 0.000 1.175 185 N HN 0.148 nan 8.380 nan 0.000 0.477 186 A N 0.803 123.614 122.820 -0.014 0.000 2.076 186 A HA -0.071 4.249 4.320 0.000 0.000 0.220 186 A C 1.989 179.564 177.584 -0.015 0.000 1.160 186 A CA 1.919 53.949 52.037 -0.011 0.000 0.653 186 A CB -1.018 17.976 19.000 -0.010 0.000 0.801 186 A HN 0.750 nan 8.150 nan 0.000 0.455 187 G N -0.293 108.493 108.800 -0.025 0.000 2.433 187 G HA2 -0.022 3.938 3.960 0.000 0.000 0.216 187 G HA3 -0.022 3.938 3.960 0.000 0.000 0.216 187 G C 1.780 176.658 174.900 -0.036 0.000 1.186 187 G CA 1.382 46.463 45.100 -0.031 0.000 0.779 187 G HN 0.785 nan 8.290 nan 0.000 0.543 188 A N 1.145 123.919 122.820 -0.078 0.000 1.908 188 A HA -0.084 4.236 4.320 0.000 0.000 0.218 188 A C 2.193 179.762 177.584 -0.025 0.000 1.181 188 A CA 2.557 54.542 52.037 -0.087 0.000 0.627 188 A CB -0.499 18.452 19.000 -0.081 0.000 0.818 188 A HN 0.429 nan 8.150 nan 0.000 0.445 189 K N 0.562 120.960 120.400 -0.004 0.000 2.015 189 K HA -0.167 4.153 4.320 0.000 0.000 0.216 189 K C 1.944 178.582 176.600 0.064 0.000 1.052 189 K CA 2.485 58.785 56.287 0.021 0.000 0.937 189 K CB -0.893 31.616 32.500 0.017 0.000 0.719 189 K HN 0.344 nan 8.250 nan 0.000 0.446 190 A N 0.151 123.033 122.820 0.102 0.000 1.940 190 A HA -0.031 4.289 4.320 0.000 0.000 0.219 190 A C 2.454 180.218 177.584 0.300 0.000 1.176 190 A CA 2.080 54.272 52.037 0.259 0.000 0.631 190 A CB -1.569 17.566 19.000 0.225 0.000 0.814 190 A HN 0.582 nan 8.150 nan 0.000 0.446 191 G N -0.105 108.764 108.800 0.116 0.000 2.628 191 G HA2 -0.219 3.742 3.960 0.000 0.000 0.217 191 G HA3 -0.219 3.742 3.960 0.000 0.000 0.217 191 G C 1.432 176.280 174.900 -0.087 0.000 1.240 191 G CA 1.402 46.447 45.100 -0.092 0.000 0.792 191 G HN 0.382 nan 8.290 nan 0.000 0.593 192 L N 0.516 121.724 121.223 -0.026 0.000 2.109 192 L HA 0.056 4.397 4.340 0.000 0.000 0.207 192 L C 3.224 180.103 176.870 0.015 0.000 1.086 192 L CA 1.913 56.746 54.840 -0.011 0.000 0.760 192 L CB -0.823 41.234 42.059 -0.004 0.000 0.910 192 L HN 0.224 nan 8.230 nan 0.000 0.437 193 T N -0.642 113.946 114.554 0.057 0.000 2.624 193 T HA -0.321 4.029 4.350 0.000 0.000 0.268 193 T C 1.734 176.501 174.700 0.111 0.000 1.041 193 T CA 2.221 64.374 62.100 0.087 0.000 1.159 193 T CB -0.645 68.298 68.868 0.124 0.000 0.863 193 T HN 0.271 nan 8.240 nan 0.000 0.434 194 F N 0.826 120.780 119.950 0.006 0.000 2.095 194 F HA -0.089 4.438 4.527 0.000 0.000 0.298 194 F C 2.105 177.876 175.800 -0.048 0.000 1.104 194 F CA 0.922 58.903 58.000 -0.031 0.000 1.232 194 F CB -0.310 38.563 39.000 -0.212 0.000 0.987 194 F HN 0.015 nan 8.300 nan 0.000 0.475 195 L N -0.209 120.974 121.223 -0.067 0.000 2.012 195 L HA -0.207 4.133 4.340 0.000 0.000 0.210 195 L C 2.306 179.119 176.870 -0.095 0.000 1.073 195 L CA 1.435 56.222 54.840 -0.088 0.000 0.748 195 L CB -0.769 41.273 42.059 -0.029 0.000 0.891 195 L HN 0.039 nan 8.230 nan 0.000 0.431 196 V N -0.453 119.422 119.914 -0.065 0.000 2.332 196 V HA -0.300 3.820 4.120 0.000 0.000 0.248 196 V C 1.778 177.821 176.094 -0.084 0.000 1.055 196 V CA 1.910 64.177 62.300 -0.054 0.000 1.038 196 V CB -0.708 31.098 31.823 -0.028 0.000 0.651 196 V HN 0.460 nan 8.190 nan 0.000 0.450 197 D N -0.431 119.896 120.400 -0.122 0.000 2.403 197 D HA -0.047 4.593 4.640 0.000 0.000 0.227 197 D C 1.694 177.889 176.300 -0.175 0.000 0.995 197 D CA 0.738 54.653 54.000 -0.142 0.000 0.928 197 D CB 0.168 40.887 40.800 -0.135 0.000 0.887 197 D HN 0.362 nan 8.370 nan 0.000 0.529 198 L N -0.734 120.380 121.223 -0.181 0.000 2.467 198 L HA 0.095 4.435 4.340 0.000 0.000 0.213 198 L C 1.851 178.714 176.870 -0.012 0.000 1.053 198 L CA 0.158 54.962 54.840 -0.059 0.000 0.847 198 L CB 0.129 42.121 42.059 -0.113 0.000 1.075 198 L HN -0.051 nan 8.230 nan 0.000 0.479 199 I N 0.297 120.841 120.570 -0.043 0.000 2.333 199 I HA -0.156 4.014 4.170 0.000 0.000 0.246 199 I C 2.488 178.565 176.117 -0.066 0.000 1.106 199 I CA 1.210 62.485 61.300 -0.041 0.000 1.411 199 I CB -0.275 37.704 38.000 -0.036 0.000 1.082 199 I HN 0.052 nan 8.210 nan 0.000 0.420 200 K N 0.474 120.830 120.400 -0.072 0.000 2.020 200 K HA -0.183 4.137 4.320 0.000 0.000 0.212 200 K C 1.515 178.042 176.600 -0.121 0.000 1.050 200 K CA 1.661 57.901 56.287 -0.078 0.000 0.929 200 K CB -0.408 32.054 32.500 -0.064 0.000 0.714 200 K HN 0.397 nan 8.250 nan 0.000 0.443 201 N N 1.145 119.734 118.700 -0.184 0.000 2.567 201 N HA -0.051 4.689 4.740 0.000 0.000 0.195 201 N C -0.599 174.638 175.510 -0.455 0.000 1.242 201 N CA 0.220 53.057 53.050 -0.355 0.000 0.884 201 N CB 0.219 38.395 38.487 -0.518 0.000 1.007 201 N HN 0.150 nan 8.380 nan 0.000 0.450 202 K N -0.965 119.293 120.400 -0.237 0.000 3.020 202 K HA -0.252 4.068 4.320 0.000 0.000 0.266 202 K C -0.023 176.510 176.600 -0.112 0.000 1.067 202 K CA 0.963 57.164 56.287 -0.144 0.000 0.780 202 K CB -2.366 30.067 32.500 -0.111 0.000 1.220 202 K HN 0.625 nan 8.250 nan 0.000 0.483 203 H N -0.671 118.392 119.070 -0.012 0.000 2.462 203 H HA 0.191 4.747 4.556 0.000 0.000 0.292 203 H C 1.105 176.446 175.328 0.022 0.000 1.049 203 H CA 0.930 56.981 56.048 0.006 0.000 1.334 203 H CB 0.204 29.965 29.762 -0.002 0.000 1.404 203 H HN 0.186 nan 8.280 nan 0.000 0.544 204 M N -0.395 119.271 119.600 0.110 0.000 2.618 204 M HA 0.197 4.677 4.480 0.000 0.000 0.281 204 M C -0.979 175.329 176.300 0.013 0.000 1.267 204 M CA -0.974 54.367 55.300 0.069 0.000 0.845 204 M CB 2.424 35.074 32.600 0.084 0.000 1.732 204 M HN -0.025 nan 8.290 nan 0.000 0.461 205 N N 0.368 119.065 118.700 -0.004 0.000 2.456 205 N HA 0.470 5.210 4.740 0.000 0.000 0.288 205 N C 0.177 175.661 175.510 -0.044 0.000 1.059 205 N CA 0.084 53.121 53.050 -0.022 0.000 0.946 205 N CB 1.947 40.424 38.487 -0.016 0.000 1.150 205 N HN 0.790 nan 8.380 nan 0.000 0.479 206 A N 3.019 125.816 122.820 -0.040 0.000 2.015 206 A HA -0.104 4.216 4.320 0.000 0.000 0.219 206 A C 1.354 178.909 177.584 -0.047 0.000 1.163 206 A CA 1.240 53.249 52.037 -0.046 0.000 0.646 206 A CB -0.177 18.802 19.000 -0.034 0.000 0.806 206 A HN 0.732 nan 8.150 nan 0.000 0.448 207 D N 0.360 120.739 120.400 -0.035 0.000 2.078 207 D HA -0.055 4.585 4.640 0.000 0.000 0.193 207 D C 0.629 176.910 176.300 -0.032 0.000 0.990 207 D CA 1.424 55.408 54.000 -0.026 0.000 0.827 207 D CB -1.301 39.490 40.800 -0.015 0.000 0.975 207 D HN 0.286 nan 8.370 nan 0.000 0.451 208 T N 3.251 117.779 114.554 -0.043 0.000 2.276 208 T HA -0.084 4.266 4.350 0.000 0.000 0.202 208 T C 0.255 174.932 174.700 -0.038 0.000 1.117 208 T CA 0.438 62.510 62.100 -0.048 0.000 1.808 208 T CB -0.476 68.340 68.868 -0.087 0.000 1.045 208 T HN 0.251 nan 8.240 nan 0.000 0.441 209 D N 2.213 122.622 120.400 0.014 0.000 2.549 209 D HA 0.098 4.738 4.640 0.000 0.000 0.270 209 D C 1.214 177.598 176.300 0.139 0.000 1.181 209 D CA -1.001 53.045 54.000 0.075 0.000 1.070 209 D CB 0.612 41.459 40.800 0.078 0.000 1.154 209 D HN 0.339 nan 8.370 nan 0.000 0.602 210 Y N 0.722 121.085 120.300 0.106 0.000 2.014 210 Y HA -0.346 4.204 4.550 0.000 0.000 0.272 210 Y C 2.842 178.805 175.900 0.104 0.000 1.164 210 Y CA 3.704 61.897 58.100 0.154 0.000 1.114 210 Y CB -0.340 38.234 38.460 0.190 0.000 0.961 210 Y HN 0.510 nan 8.280 nan 0.000 0.489 211 S N -0.593 115.198 115.700 0.151 0.000 2.402 211 S HA -0.183 4.288 4.470 0.000 0.000 0.229 211 S C 1.857 176.454 174.600 -0.004 0.000 1.021 211 S CA 1.381 59.613 58.200 0.053 0.000 0.974 211 S CB -0.868 62.405 63.200 0.122 0.000 0.800 211 S HN 0.411 nan 8.310 nan 0.000 0.484 212 I N 2.737 123.317 120.570 0.016 0.000 2.286 212 I HA -0.041 4.129 4.170 0.000 0.000 0.248 212 I C 2.871 178.981 176.117 -0.012 0.000 1.115 212 I CA 1.032 62.336 61.300 0.006 0.000 1.392 212 I CB -0.861 37.147 38.000 0.013 0.000 1.065 212 I HN 0.413 nan 8.210 nan 0.000 0.418 213 A N -0.394 122.405 122.820 -0.035 0.000 1.858 213 A HA -0.281 4.040 4.320 0.000 0.000 0.216 213 A C 2.385 179.929 177.584 -0.066 0.000 1.190 213 A CA 2.006 54.017 52.037 -0.043 0.000 0.617 213 A CB -0.801 18.166 19.000 -0.055 0.000 0.827 213 A HN 0.482 nan 8.150 nan 0.000 0.443 214 E N -0.253 119.842 120.200 -0.175 0.000 2.110 214 E HA -0.133 4.217 4.350 0.000 0.000 0.193 214 E C 2.138 178.725 176.600 -0.021 0.000 0.988 214 E CA 0.961 57.276 56.400 -0.141 0.000 0.804 214 E CB -0.251 29.304 29.700 -0.241 0.000 0.745 214 E HN 0.540 nan 8.360 nan 0.000 0.458 215 A N 1.169 123.977 122.820 -0.019 0.000 1.908 215 A HA -0.171 4.149 4.320 0.000 0.000 0.218 215 A C 2.365 179.956 177.584 0.012 0.000 1.181 215 A CA 1.942 53.980 52.037 0.001 0.000 0.627 215 A CB -0.731 18.272 19.000 0.003 0.000 0.818 215 A HN 0.418 nan 8.150 nan 0.000 0.445 216 A N -1.533 121.304 122.820 0.028 0.000 1.898 216 A HA 0.031 4.351 4.320 0.000 0.000 0.216 216 A C 2.060 179.683 177.584 0.065 0.000 1.181 216 A CA 1.530 53.592 52.037 0.042 0.000 0.620 216 A CB -0.639 18.395 19.000 0.057 0.000 0.819 216 A HN 0.630 nan 8.150 nan 0.000 0.442 217 F N 1.239 121.159 119.950 -0.050 0.000 2.163 217 F HA -0.090 4.437 4.527 0.000 0.000 0.297 217 F C 2.123 177.887 175.800 -0.059 0.000 1.094 217 F CA 1.812 59.780 58.000 -0.054 0.000 1.290 217 F CB -0.260 38.690 39.000 -0.084 0.000 1.017 217 F HN 0.253 nan 8.300 nan 0.000 0.483 218 N N -0.033 118.665 118.700 -0.003 0.000 2.270 218 N HA -0.128 4.612 4.740 0.000 0.000 0.181 218 N C 1.384 176.821 175.510 -0.123 0.000 1.016 218 N CA 0.685 53.685 53.050 -0.084 0.000 0.870 218 N CB -0.063 38.421 38.487 -0.005 0.000 0.979 218 N HN 0.228 nan 8.380 nan 0.000 0.431 219 K N 0.416 120.764 120.400 -0.088 0.000 2.459 219 K HA 0.041 4.361 4.320 0.000 0.000 0.193 219 K C 0.893 177.426 176.600 -0.111 0.000 1.030 219 K CA 0.174 56.414 56.287 -0.078 0.000 1.026 219 K CB 0.121 32.597 32.500 -0.041 0.000 0.809 219 K HN 0.270 nan 8.250 nan 0.000 0.504 220 G N 2.122 110.811 108.800 -0.185 0.000 2.198 220 G HA2 -0.284 3.676 3.960 0.000 0.000 0.257 220 G HA3 -0.284 3.676 3.960 0.000 0.000 0.257 220 G C 0.534 175.372 174.900 -0.103 0.000 1.042 220 G CA 0.539 45.514 45.100 -0.209 0.000 0.791 220 G HN 0.431 nan 8.290 nan 0.000 0.502 221 E N -1.427 118.738 120.200 -0.059 0.000 2.299 221 E HA 0.037 4.387 4.350 0.000 0.000 0.193 221 E C 2.230 178.840 176.600 0.017 0.000 0.998 221 E CA 1.148 57.539 56.400 -0.014 0.000 0.851 221 E CB 0.214 29.914 29.700 0.000 0.000 0.795 221 E HN 0.418 nan 8.360 nan 0.000 0.492 222 T N -1.345 113.233 114.554 0.041 0.000 2.989 222 T HA 0.296 4.646 4.350 0.000 0.000 0.250 222 T C 0.462 175.237 174.700 0.125 0.000 0.981 222 T CA 0.679 62.836 62.100 0.094 0.000 0.980 222 T CB 0.222 69.171 68.868 0.135 0.000 1.133 222 T HN 0.115 nan 8.240 nan 0.000 0.489 223 A N 1.482 124.379 122.820 0.128 0.000 2.667 223 A HA -0.068 4.252 4.320 0.000 0.000 0.298 223 A C 0.376 178.156 177.584 0.326 0.000 1.483 223 A CA 1.452 53.578 52.037 0.149 0.000 0.738 223 A CB -2.356 16.678 19.000 0.056 0.000 1.067 223 A HN 0.939 nan 8.150 nan 0.000 0.451 224 M N -1.182 118.720 119.600 0.504 0.000 2.367 224 M HA 0.284 4.764 4.480 0.000 0.000 0.180 224 M C -0.905 175.459 176.300 0.107 0.000 0.821 224 M CA 0.889 56.352 55.300 0.271 0.000 0.781 224 M CB 0.093 32.787 32.600 0.156 0.000 2.193 224 M HN 1.519 nan 8.290 nan 0.000 0.530 225 T N 4.591 119.078 114.554 -0.112 0.000 2.843 225 T HA 0.809 5.159 4.350 0.000 0.000 0.302 225 T C -1.473 173.091 174.700 -0.226 0.000 1.232 225 T CA -0.573 61.448 62.100 -0.133 0.000 1.009 225 T CB 1.482 70.239 68.868 -0.186 0.000 1.254 225 T HN 0.551 nan 8.240 nan 0.000 0.504 226 I N 4.079 124.549 120.570 -0.167 0.000 2.331 226 I HA 0.586 4.757 4.170 0.000 0.000 0.292 226 I C 0.331 176.283 176.117 -0.276 0.000 0.998 226 I CA -0.596 60.558 61.300 -0.243 0.000 1.267 226 I CB 1.142 38.948 38.000 -0.322 0.000 1.386 226 I HN 0.512 nan 8.210 nan 0.000 0.476 227 N N 3.127 121.599 118.700 -0.380 0.000 3.452 227 N HA 0.244 4.984 4.740 0.000 0.000 0.231 227 N C -0.689 174.404 175.510 -0.694 0.000 1.264 227 N CA -0.236 52.506 53.050 -0.514 0.000 0.928 227 N CB 1.961 40.156 38.487 -0.486 0.000 1.547 227 N HN 0.684 nan 8.380 nan 0.000 0.509 228 G N 1.259 109.426 108.800 -1.056 0.000 2.829 228 G HA2 0.473 4.433 3.960 0.000 0.000 0.173 228 G HA3 0.473 4.433 3.960 0.000 0.000 0.173 228 G C -1.975 171.967 174.900 -1.596 0.000 1.476 228 G CA -0.283 44.116 45.100 -1.168 0.000 1.072 228 G HN 0.385 nan 8.290 nan 0.000 0.577 229 P HA -0.019 nan 4.420 nan 0.000 0.239 229 P C 0.802 177.411 177.300 -1.152 0.000 1.302 229 P CA 1.225 63.493 63.100 -1.385 0.000 0.676 229 P CB -0.184 31.433 31.700 -0.138 0.000 1.093 230 W N -1.361 119.908 121.300 -0.052 0.000 1.584 230 W HA -0.386 4.274 4.660 -0.000 0.000 0.320 230 W C 1.215 177.739 176.519 0.008 0.000 1.787 230 W CA 2.039 59.403 57.345 0.032 0.000 2.189 230 W CB -2.803 26.671 29.460 0.024 0.000 0.939 230 W HN 0.183 nan 8.180 nan 0.000 0.458 231 A N -0.362 122.291 122.820 -0.278 0.000 2.359 231 A HA 0.190 4.510 4.320 0.000 0.000 0.240 231 A C 1.428 178.892 177.584 -0.199 0.000 1.306 231 A CA 0.655 52.621 52.037 -0.118 0.000 0.898 231 A CB -1.190 17.701 19.000 -0.180 0.000 0.956 231 A HN 0.526 nan 8.150 nan 0.000 0.497 232 W N -0.029 121.221 121.300 -0.083 0.000 2.408 232 W HA -0.081 4.579 4.660 0.000 0.000 0.311 232 W C 2.241 178.742 176.519 -0.032 0.000 1.190 232 W CA 1.297 58.608 57.345 -0.057 0.000 1.321 232 W CB -1.092 28.381 29.460 0.021 0.000 1.143 232 W HN 0.399 nan 8.180 nan 0.000 0.501 233 S N 0.123 115.980 115.700 0.261 0.000 2.402 233 S HA -0.247 4.223 4.470 0.000 0.000 0.233 233 S C 1.477 176.133 174.600 0.094 0.000 1.030 233 S CA 1.766 60.062 58.200 0.159 0.000 1.003 233 S CB -0.505 62.779 63.200 0.139 0.000 0.813 233 S HN 0.334 nan 8.310 nan 0.000 0.477 234 N N 0.305 119.045 118.700 0.066 0.000 2.409 234 N HA 0.053 4.793 4.740 0.000 0.000 0.179 234 N C 1.131 176.627 175.510 -0.024 0.000 1.032 234 N CA 0.559 53.627 53.050 0.029 0.000 0.898 234 N CB 0.094 38.608 38.487 0.044 0.000 0.971 234 N HN 0.270 nan 8.380 nan 0.000 0.441 235 I N 0.212 120.718 120.570 -0.106 0.000 3.578 235 I HA -0.014 4.156 4.170 0.000 0.000 0.295 235 I C 0.471 176.546 176.117 -0.070 0.000 1.280 235 I CA 0.791 61.965 61.300 -0.210 0.000 1.347 235 I CB -0.624 36.943 38.000 -0.723 0.000 1.051 235 I HN 0.104 nan 8.210 nan 0.000 0.460 236 D N 0.728 121.142 120.400 0.023 0.000 2.348 236 D HA -0.015 4.625 4.640 0.000 0.000 0.211 236 D C 1.872 178.199 176.300 0.045 0.000 0.998 236 D CA 0.682 54.730 54.000 0.080 0.000 0.873 236 D CB 0.140 41.005 40.800 0.108 0.000 0.925 236 D HN 0.236 nan 8.370 nan 0.000 0.524 237 T N -0.177 114.393 114.554 0.027 0.000 2.978 237 T HA -0.061 4.289 4.350 0.000 0.000 0.262 237 T C 1.996 176.700 174.700 0.007 0.000 1.063 237 T CA 1.072 63.184 62.100 0.021 0.000 1.140 237 T CB 0.080 68.963 68.868 0.024 0.000 0.886 237 T HN 0.197 nan 8.240 nan 0.000 0.470 238 S N 0.102 115.797 115.700 -0.008 0.000 2.524 238 S HA 0.223 4.694 4.470 0.000 0.000 0.215 238 S C 0.742 175.330 174.600 -0.021 0.000 0.986 238 S CA -0.239 57.947 58.200 -0.025 0.000 0.911 238 S CB -0.056 63.114 63.200 -0.049 0.000 0.805 238 S HN 0.067 nan 8.310 nan 0.000 0.501 239 K N 1.023 121.428 120.400 0.009 0.000 3.069 239 K HA -0.098 4.222 4.320 0.000 0.000 0.267 239 K C -0.507 176.120 176.600 0.046 0.000 1.082 239 K CA 0.559 56.870 56.287 0.041 0.000 0.782 239 K CB -2.633 29.882 32.500 0.026 0.000 1.230 239 K HN 0.525 nan 8.250 nan 0.000 0.488 240 V N 1.065 121.004 119.914 0.040 0.000 2.530 240 V HA 0.132 4.252 4.120 0.000 0.000 0.282 240 V C 1.224 177.425 176.094 0.177 0.000 1.048 240 V CA -0.824 61.483 62.300 0.011 0.000 0.997 240 V CB 1.416 33.124 31.823 -0.192 0.000 0.987 240 V HN 0.163 nan 8.190 nan 0.000 0.477 241 N N 4.200 122.948 118.700 0.080 0.000 2.670 241 N HA 0.038 4.779 4.740 0.000 0.000 0.296 241 N C -0.521 175.041 175.510 0.085 0.000 1.216 241 N CA 0.144 53.233 53.050 0.065 0.000 1.123 241 N CB -0.581 37.915 38.487 0.016 0.000 1.459 241 N HN 0.751 nan 8.380 nan 0.000 0.509 242 Y N -0.717 119.573 120.300 -0.017 0.000 2.545 242 Y HA 0.850 5.400 4.550 0.000 0.000 0.324 242 Y C 0.500 176.295 175.900 -0.174 0.000 1.220 242 Y CA -1.315 56.784 58.100 -0.002 0.000 1.290 242 Y CB 1.033 39.624 38.460 0.218 0.000 1.355 242 Y HN 0.128 nan 8.280 nan 0.000 0.516 243 G N 0.391 108.939 108.800 -0.420 0.000 2.760 243 G HA2 0.498 4.458 3.960 0.000 0.000 0.296 243 G HA3 0.498 4.458 3.960 0.000 0.000 0.296 243 G C -2.167 172.408 174.900 -0.543 0.000 1.427 243 G CA -0.850 43.833 45.100 -0.695 0.000 1.109 243 G HN 0.685 nan 8.290 nan 0.000 0.553 244 V N 0.864 120.682 119.914 -0.161 0.000 2.539 244 V HA 0.867 4.987 4.120 0.000 0.000 0.292 244 V C 0.570 176.711 176.094 0.079 0.000 1.045 244 V CA -0.393 61.914 62.300 0.013 0.000 0.945 244 V CB 1.436 33.368 31.823 0.182 0.000 0.993 244 V HN 0.906 nan 8.190 nan 0.000 0.464 245 T N 1.881 116.500 114.554 0.107 0.000 2.787 245 T HA 0.455 4.805 4.350 0.000 0.000 0.297 245 T C -0.975 173.747 174.700 0.036 0.000 1.221 245 T CA -0.297 61.872 62.100 0.114 0.000 1.006 245 T CB 1.918 70.909 68.868 0.205 0.000 1.328 245 T HN 0.666 nan 8.240 nan 0.000 0.509 246 V N 3.338 123.261 119.914 0.015 0.000 2.740 246 V HA 0.419 4.539 4.120 0.000 0.000 0.303 246 V C -0.042 176.031 176.094 -0.035 0.000 1.054 246 V CA -0.055 62.240 62.300 -0.008 0.000 1.106 246 V CB -0.005 31.812 31.823 -0.011 0.000 0.957 246 V HN 0.724 nan 8.190 nan 0.000 0.486 247 L N 9.077 130.287 121.223 -0.022 0.000 2.416 247 L HA 0.349 4.689 4.340 0.000 0.000 0.272 247 L C -1.819 175.031 176.870 -0.034 0.000 1.161 247 L CA -1.495 53.327 54.840 -0.030 0.000 0.845 247 L CB 0.447 42.546 42.059 0.066 0.000 1.119 247 L HN 0.576 nan 8.230 nan 0.000 0.464 248 P HA 0.079 nan 4.420 nan 0.000 0.272 248 P C -0.419 176.931 177.300 0.084 0.000 1.230 248 P CA -0.465 62.506 63.100 -0.215 0.000 0.788 248 P CB 0.419 31.753 31.700 -0.610 0.000 0.949 249 T N -1.266 113.350 114.554 0.103 0.000 2.828 249 T HA 0.470 4.821 4.350 0.000 0.000 0.290 249 T C -0.586 174.341 174.700 0.378 0.000 1.019 249 T CA -0.299 61.919 62.100 0.197 0.000 1.031 249 T CB 0.231 69.146 68.868 0.078 0.000 1.001 249 T HN 0.283 nan 8.240 nan 0.000 0.531 250 F N 1.296 121.291 119.950 0.075 0.000 2.539 250 F HA 0.464 4.992 4.527 0.000 0.000 0.318 250 F C 0.192 175.949 175.800 -0.073 0.000 1.135 250 F CA -1.790 56.187 58.000 -0.038 0.000 0.915 250 F CB 1.310 40.198 39.000 -0.186 0.000 1.176 250 F HN 0.869 nan 8.300 nan 0.000 0.440 251 K N 4.880 125.007 120.400 -0.456 0.000 3.356 251 K HA -0.191 4.129 4.320 0.000 0.000 0.270 251 K C 0.949 177.408 176.600 -0.235 0.000 0.901 251 K CA 0.937 56.952 56.287 -0.454 0.000 0.688 251 K CB -1.442 30.607 32.500 -0.753 0.000 1.460 251 K HN 1.337 nan 8.250 nan 0.000 0.458 252 G N -0.343 108.386 108.800 -0.118 0.000 5.219 252 G HA2 -0.393 3.567 3.960 0.000 0.000 0.267 252 G HA3 -0.393 3.567 3.960 0.000 0.000 0.267 252 G C -0.173 174.704 174.900 -0.037 0.000 1.495 252 G CA 0.209 45.267 45.100 -0.070 0.000 0.988 252 G HN 0.385 nan 8.290 nan 0.000 0.707 253 Q N 3.273 123.045 119.800 -0.047 0.000 2.333 253 Q HA 0.428 4.768 4.340 0.000 0.000 0.299 253 Q C -1.944 174.073 176.000 0.027 0.000 1.067 253 Q CA 0.116 55.909 55.803 -0.016 0.000 0.943 253 Q CB 0.328 29.051 28.738 -0.025 0.000 1.233 253 Q HN 0.471 nan 8.270 nan 0.000 0.401 254 P HA 0.103 nan 4.420 nan 0.000 0.275 254 P C -0.704 176.641 177.300 0.075 0.000 1.266 254 P CA -0.401 62.734 63.100 0.058 0.000 0.793 254 P CB 0.760 32.475 31.700 0.026 0.000 1.074 255 S N 0.396 116.162 115.700 0.109 0.000 2.593 255 S HA 0.208 4.678 4.470 0.000 0.000 0.269 255 S C 0.211 174.839 174.600 0.048 0.000 1.334 255 S CA -0.173 58.085 58.200 0.097 0.000 1.015 255 S CB -0.030 63.286 63.200 0.193 0.000 0.912 255 S HN 0.233 nan 8.310 nan 0.000 0.541 256 K N 3.029 123.436 120.400 0.012 0.000 2.530 256 K HA 0.338 4.658 4.320 0.000 0.000 0.230 256 K C -2.616 174.029 176.600 0.075 0.000 1.002 256 K CA -1.861 54.435 56.287 0.014 0.000 1.014 256 K CB 1.464 33.941 32.500 -0.038 0.000 1.286 256 K HN 0.422 nan 8.250 nan 0.000 0.480 257 P HA 0.350 nan 4.420 nan 0.000 0.297 257 P C -0.651 176.784 177.300 0.225 0.000 1.307 257 P CA -0.656 62.592 63.100 0.246 0.000 0.773 257 P CB 0.751 32.592 31.700 0.234 0.000 1.265 258 F N -0.611 119.722 119.950 0.639 0.000 2.361 258 F HA 0.204 4.731 4.527 0.000 0.000 0.364 258 F C 0.253 176.344 175.800 0.485 0.000 1.120 258 F CA -0.541 57.809 58.000 0.583 0.000 1.102 258 F CB 0.808 40.163 39.000 0.591 0.000 1.183 258 F HN -0.124 nan 8.300 nan 0.000 0.476 259 V N 5.186 125.429 119.914 0.549 0.000 2.439 259 V HA 0.239 4.359 4.120 0.000 0.000 0.271 259 V C 0.996 177.370 176.094 0.466 0.000 1.040 259 V CA 0.052 62.625 62.300 0.455 0.000 1.002 259 V CB 0.299 32.368 31.823 0.410 0.000 1.000 259 V HN 0.951 nan 8.190 nan 0.000 0.477 260 G N 3.738 112.787 108.800 0.415 0.000 2.937 260 G HA2 0.311 4.271 3.960 0.000 0.000 0.160 260 G HA3 0.311 4.271 3.960 0.000 0.000 0.160 260 G C 0.164 175.312 174.900 0.413 0.000 1.863 260 G CA 0.497 45.820 45.100 0.371 0.000 0.941 260 G HN 1.075 nan 8.290 nan 0.000 0.419 261 V N -0.568 119.535 119.914 0.316 0.000 2.839 261 V HA -0.086 4.034 4.120 0.000 0.000 0.400 261 V C -0.599 175.620 176.094 0.208 0.000 0.679 261 V CA -0.600 61.820 62.300 0.199 0.000 1.917 261 V CB -0.564 31.246 31.823 -0.021 0.000 2.429 261 V HN 0.877 nan 8.190 nan 0.000 0.479 262 L N 6.257 127.598 121.223 0.197 0.000 2.562 262 L HA 0.649 4.990 4.340 0.000 0.000 0.271 262 L C 0.606 177.553 176.870 0.128 0.000 1.167 262 L CA 1.220 56.184 54.840 0.206 0.000 0.917 262 L CB 0.765 42.960 42.059 0.227 0.000 1.187 262 L HN 0.733 nan 8.230 nan 0.000 0.482 263 S N 3.538 119.233 115.700 -0.009 0.000 2.709 263 S HA 0.967 5.437 4.470 0.000 0.000 0.302 263 S C -0.593 173.974 174.600 -0.054 0.000 1.127 263 S CA -0.506 57.630 58.200 -0.106 0.000 0.905 263 S CB 1.604 64.598 63.200 -0.343 0.000 1.151 263 S HN 0.994 nan 8.310 nan 0.000 0.510 264 A N 0.236 123.013 122.820 -0.073 0.000 2.319 264 A HA 0.837 5.157 4.320 0.000 0.000 0.310 264 A C 0.108 177.703 177.584 0.018 0.000 1.152 264 A CA -0.455 51.389 52.037 -0.322 0.000 0.783 264 A CB 0.729 19.255 19.000 -0.791 0.000 1.184 264 A HN 1.155 nan 8.150 nan 0.000 0.474 265 G N 0.635 109.476 108.800 0.068 0.000 2.644 265 G HA2 0.691 4.651 3.960 0.000 0.000 0.307 265 G HA3 0.691 4.651 3.960 0.000 0.000 0.307 265 G C -0.846 173.944 174.900 -0.184 0.000 1.250 265 G CA -0.748 44.326 45.100 -0.042 0.000 0.996 265 G HN 0.710 nan 8.290 nan 0.000 0.489 266 I N 0.438 120.918 120.570 -0.149 0.000 2.545 266 I HA 0.244 4.414 4.170 0.000 0.000 0.292 266 I C -0.425 175.641 176.117 -0.085 0.000 1.040 266 I CA -1.068 60.167 61.300 -0.108 0.000 1.068 266 I CB 2.157 40.125 38.000 -0.053 0.000 1.251 266 I HN 0.256 nan 8.210 nan 0.000 0.424 267 N N 3.259 121.932 118.700 -0.044 0.000 2.454 267 N HA 0.086 4.826 4.740 0.000 0.000 0.260 267 N C 0.808 176.292 175.510 -0.043 0.000 1.218 267 N CA 0.225 53.267 53.050 -0.014 0.000 0.904 267 N CB 1.661 40.133 38.487 -0.025 0.000 1.065 267 N HN 0.837 nan 8.380 nan 0.000 0.462 268 A N 3.202 125.994 122.820 -0.047 0.000 2.216 268 A HA 0.022 4.342 4.320 0.000 0.000 0.214 268 A C 1.748 179.304 177.584 -0.047 0.000 1.160 268 A CA 1.351 53.363 52.037 -0.042 0.000 0.725 268 A CB -0.244 18.733 19.000 -0.039 0.000 0.784 268 A HN 0.718 nan 8.150 nan 0.000 0.472 269 A N -0.651 122.133 122.820 -0.061 0.000 2.132 269 A HA 0.506 4.826 4.320 0.000 0.000 0.213 269 A C 1.526 179.077 177.584 -0.054 0.000 1.154 269 A CA 0.839 52.836 52.037 -0.065 0.000 0.753 269 A CB -0.857 18.087 19.000 -0.093 0.000 0.826 269 A HN 0.799 nan 8.150 nan 0.000 0.469 270 S N 1.114 116.784 115.700 -0.050 0.000 2.515 270 S HA 0.376 4.846 4.470 0.000 0.000 0.285 270 S C -0.936 173.650 174.600 -0.023 0.000 1.265 270 S CA -0.908 57.269 58.200 -0.039 0.000 1.079 270 S CB -0.074 63.105 63.200 -0.036 0.000 0.877 270 S HN 0.142 nan 8.310 nan 0.000 0.493 271 P HA -0.009 nan 4.420 nan 0.000 0.222 271 P C -0.099 177.207 177.300 0.009 0.000 1.153 271 P CA 0.540 63.637 63.100 -0.005 0.000 0.798 271 P CB 0.138 31.835 31.700 -0.004 0.000 0.796 272 N N 0.264 118.970 118.700 0.011 0.000 3.052 272 N HA 0.084 4.824 4.740 0.000 0.000 0.302 272 N C 0.677 176.210 175.510 0.038 0.000 1.332 272 N CA -0.005 53.063 53.050 0.030 0.000 1.129 272 N CB 0.136 38.641 38.487 0.029 0.000 1.436 272 N HN 0.258 nan 8.380 nan 0.000 0.536 273 K N 0.618 121.039 120.400 0.034 0.000 2.057 273 K HA -0.066 4.254 4.320 0.000 0.000 0.207 273 K C 1.331 177.974 176.600 0.071 0.000 1.049 273 K CA 0.787 57.099 56.287 0.042 0.000 0.931 273 K CB 0.238 32.754 32.500 0.026 0.000 0.714 273 K HN 0.088 nan 8.250 nan 0.000 0.440 274 E N 0.960 121.204 120.200 0.073 0.000 2.333 274 E HA -0.104 4.246 4.350 0.000 0.000 0.198 274 E C 1.854 178.532 176.600 0.131 0.000 1.007 274 E CA 0.828 57.285 56.400 0.095 0.000 0.845 274 E CB 0.056 29.806 29.700 0.083 0.000 0.766 274 E HN 0.351 nan 8.360 nan 0.000 0.507 275 L N -0.849 120.450 121.223 0.127 0.000 2.202 275 L HA 0.103 4.443 4.340 0.000 0.000 0.205 275 L C 2.337 179.293 176.870 0.144 0.000 1.083 275 L CA 0.751 55.686 54.840 0.159 0.000 0.790 275 L CB -0.386 41.755 42.059 0.137 0.000 0.942 275 L HN -0.037 nan 8.230 nan 0.000 0.452 276 A N 0.165 123.061 122.820 0.126 0.000 2.066 276 A HA -0.158 4.162 4.320 0.000 0.000 0.218 276 A C 2.367 180.087 177.584 0.226 0.000 1.157 276 A CA 1.192 53.337 52.037 0.181 0.000 0.670 276 A CB -0.256 18.816 19.000 0.120 0.000 0.804 276 A HN 0.282 nan 8.150 nan 0.000 0.453 277 K N -0.036 120.480 120.400 0.192 0.000 1.967 277 K HA -0.198 4.122 4.320 0.000 0.000 0.212 277 K C 2.046 178.762 176.600 0.194 0.000 1.044 277 K CA 1.683 58.090 56.287 0.200 0.000 0.942 277 K CB -0.237 32.357 32.500 0.157 0.000 0.726 277 K HN 0.340 nan 8.250 nan 0.000 0.440 278 E N 0.390 120.714 120.200 0.205 0.000 2.033 278 E HA -0.239 4.111 4.350 0.000 0.000 0.199 278 E C 1.869 178.611 176.600 0.237 0.000 1.011 278 E CA 2.067 58.598 56.400 0.218 0.000 0.815 278 E CB -0.514 29.358 29.700 0.286 0.000 0.755 278 E HN 0.402 nan 8.360 nan 0.000 0.451 279 F N 0.290 120.338 119.950 0.162 0.000 2.069 279 F HA -0.171 4.356 4.527 0.001 0.000 0.298 279 F C 1.810 177.724 175.800 0.190 0.000 1.113 279 F CA 1.390 59.504 58.000 0.190 0.000 1.214 279 F CB -0.384 38.403 39.000 -0.355 0.000 0.978 279 F HN 0.071 nan 8.300 nan 0.000 0.474 280 L N 0.713 121.736 121.223 -0.333 0.000 2.353 280 L HA -0.152 4.189 4.340 0.000 0.000 0.220 280 L C 2.203 178.914 176.870 -0.266 0.000 1.133 280 L CA 1.878 56.455 54.840 -0.439 0.000 0.798 280 L CB -0.788 41.248 42.059 -0.038 0.000 0.922 280 L HN 0.511 nan 8.230 nan 0.000 0.445 281 E N -1.958 118.167 120.200 -0.124 0.000 2.290 281 E HA -0.055 4.295 4.350 0.000 0.000 0.197 281 E C 1.748 178.191 176.600 -0.261 0.000 0.948 281 E CA 0.563 56.935 56.400 -0.048 0.000 0.895 281 E CB -0.160 29.725 29.700 0.308 0.000 0.865 281 E HN 0.177 nan 8.360 nan 0.000 0.486 282 N N -1.272 117.229 118.700 -0.331 0.000 2.395 282 N HA 0.093 4.833 4.740 0.000 0.000 0.175 282 N C 0.217 175.279 175.510 -0.747 0.000 1.029 282 N CA 1.009 53.690 53.050 -0.616 0.000 0.897 282 N CB 0.203 38.160 38.487 -0.883 0.000 0.991 282 N HN 0.309 nan 8.380 nan 0.000 0.441 283 Y N -1.323 118.897 120.300 -0.132 0.000 3.105 283 Y HA 0.287 4.837 4.550 0.000 0.000 0.216 283 Y C 1.810 177.600 175.900 -0.184 0.000 0.943 283 Y CA -0.594 57.448 58.100 -0.098 0.000 1.535 283 Y CB -0.445 38.037 38.460 0.037 0.000 1.475 283 Y HN -0.213 nan 8.280 nan 0.000 0.435 284 L N 0.853 121.981 121.223 -0.159 0.000 2.034 284 L HA -0.273 4.067 4.340 0.000 0.000 0.217 284 L C 1.865 178.669 176.870 -0.110 0.000 1.077 284 L CA 2.249 56.984 54.840 -0.176 0.000 0.769 284 L CB -0.724 41.128 42.059 -0.344 0.000 0.890 284 L HN 0.421 nan 8.230 nan 0.000 0.435 285 L N -0.737 120.399 121.223 -0.146 0.000 2.209 285 L HA -0.039 4.301 4.340 0.000 0.000 0.207 285 L C 1.304 178.092 176.870 -0.135 0.000 1.094 285 L CA 0.456 55.222 54.840 -0.123 0.000 0.790 285 L CB -0.429 41.545 42.059 -0.141 0.000 0.932 285 L HN 0.401 nan 8.230 nan 0.000 0.447 286 T N -3.288 111.173 114.554 -0.154 0.000 2.855 286 T HA -0.087 4.263 4.350 0.000 0.000 0.322 286 T C 0.907 175.530 174.700 -0.129 0.000 1.088 286 T CA -0.562 61.458 62.100 -0.134 0.000 1.104 286 T CB 0.743 69.535 68.868 -0.126 0.000 0.996 286 T HN 0.046 nan 8.240 nan 0.000 0.549 287 D N 0.754 121.100 120.400 -0.090 0.000 2.600 287 D HA -0.205 4.435 4.640 0.000 0.000 0.194 287 D C 1.940 178.076 176.300 -0.272 0.000 1.040 287 D CA 1.955 55.895 54.000 -0.101 0.000 0.871 287 D CB -0.247 40.554 40.800 0.003 0.000 0.973 287 D HN 0.718 nan 8.370 nan 0.000 0.470 288 E N -0.006 120.106 120.200 -0.146 0.000 2.058 288 E HA -0.108 4.242 4.350 0.000 0.000 0.194 288 E C 2.146 178.652 176.600 -0.156 0.000 0.997 288 E CA 1.366 57.692 56.400 -0.123 0.000 0.801 288 E CB -0.950 28.736 29.700 -0.024 0.000 0.746 288 E HN 0.376 nan 8.360 nan 0.000 0.450 289 G N 1.047 109.778 108.800 -0.115 0.000 2.545 289 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 289 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 289 G C 1.761 176.568 174.900 -0.156 0.000 1.218 289 G CA 1.165 46.216 45.100 -0.081 0.000 0.787 289 G HN 0.291 nan 8.290 nan 0.000 0.571 290 L N 0.283 121.352 121.223 -0.257 0.000 2.083 290 L HA -0.073 4.267 4.340 0.000 0.000 0.209 290 L C 2.771 179.370 176.870 -0.451 0.000 1.083 290 L CA 1.550 56.213 54.840 -0.295 0.000 0.752 290 L CB -0.493 41.417 42.059 -0.249 0.000 0.899 290 L HN 0.422 nan 8.230 nan 0.000 0.433 291 E N 0.542 120.254 120.200 -0.814 0.000 2.070 291 E HA -0.291 4.059 4.350 0.000 0.000 0.197 291 E C 2.207 178.714 176.600 -0.155 0.000 1.004 291 E CA 1.496 57.584 56.400 -0.519 0.000 0.805 291 E CB -0.019 29.456 29.700 -0.375 0.000 0.744 291 E HN 0.462 nan 8.360 nan 0.000 0.451 292 A N 0.380 123.118 122.820 -0.137 0.000 1.865 292 A HA -0.171 4.149 4.320 0.000 0.000 0.217 292 A C 2.445 179.998 177.584 -0.051 0.000 1.191 292 A CA 1.802 53.801 52.037 -0.062 0.000 0.623 292 A CB -0.836 18.143 19.000 -0.035 0.000 0.826 292 A HN 0.238 nan 8.150 nan 0.000 0.444 293 V N 0.415 120.294 119.914 -0.058 0.000 2.407 293 V HA -0.258 3.863 4.120 0.000 0.000 0.248 293 V C 2.266 178.337 176.094 -0.037 0.000 1.055 293 V CA 2.260 64.527 62.300 -0.055 0.000 1.049 293 V CB -1.207 30.581 31.823 -0.059 0.000 0.662 293 V HN 0.719 nan 8.190 nan 0.000 0.455 294 N N -0.187 118.509 118.700 -0.006 0.000 2.309 294 N HA -0.147 4.593 4.740 0.000 0.000 0.182 294 N C 1.819 177.341 175.510 0.020 0.000 1.018 294 N CA 0.824 53.898 53.050 0.040 0.000 0.876 294 N CB -0.049 38.525 38.487 0.146 0.000 0.972 294 N HN 0.453 nan 8.380 nan 0.000 0.434 295 K N -0.181 120.221 120.400 0.004 0.000 2.097 295 K HA -0.153 4.167 4.320 0.000 0.000 0.206 295 K C 1.215 177.796 176.600 -0.031 0.000 1.049 295 K CA 1.353 57.636 56.287 -0.006 0.000 0.933 295 K CB -0.031 32.462 32.500 -0.010 0.000 0.717 295 K HN 0.249 nan 8.250 nan 0.000 0.442 296 D N 0.347 120.714 120.400 -0.056 0.000 2.149 296 D HA -0.044 4.596 4.640 0.000 0.000 0.206 296 D C 0.207 176.456 176.300 -0.085 0.000 0.967 296 D CA 1.059 55.005 54.000 -0.091 0.000 0.848 296 D CB 0.443 41.153 40.800 -0.151 0.000 0.998 296 D HN -0.138 nan 8.370 nan 0.000 0.474 297 K N -0.168 120.191 120.400 -0.068 0.000 2.501 297 K HA 0.349 4.669 4.320 0.000 0.000 0.252 297 K C -3.007 173.592 176.600 -0.002 0.000 0.934 297 K CA -2.097 54.167 56.287 -0.037 0.000 0.797 297 K CB 2.085 34.552 32.500 -0.056 0.000 1.270 297 K HN -0.228 nan 8.250 nan 0.000 0.431 298 P HA 0.020 nan 4.420 nan 0.000 0.263 298 P C 0.335 177.678 177.300 0.072 0.000 1.195 298 P CA 0.129 63.250 63.100 0.035 0.000 0.762 298 P CB 0.442 32.157 31.700 0.026 0.000 0.799 299 L N 2.282 123.552 121.223 0.078 0.000 2.591 299 L HA 0.141 4.481 4.340 0.000 0.000 0.228 299 L C 1.475 178.429 176.870 0.141 0.000 1.133 299 L CA 0.686 55.589 54.840 0.104 0.000 0.880 299 L CB -0.760 41.360 42.059 0.102 0.000 1.033 299 L HN 0.724 nan 8.230 nan 0.000 0.450 300 G N 0.475 109.360 108.800 0.141 0.000 2.528 300 G HA2 -0.308 3.652 3.960 0.000 0.000 0.262 300 G HA3 -0.308 3.652 3.960 0.000 0.000 0.262 300 G C 0.046 175.023 174.900 0.129 0.000 1.200 300 G CA -0.149 45.062 45.100 0.185 0.000 0.951 300 G HN 0.495 nan 8.290 nan 0.000 0.566 301 A N -0.518 122.394 122.820 0.153 0.000 2.302 301 A HA 0.827 5.147 4.320 0.000 0.000 0.285 301 A C 0.522 178.187 177.584 0.134 0.000 1.105 301 A CA 0.513 52.623 52.037 0.122 0.000 0.816 301 A CB 1.058 20.128 19.000 0.118 0.000 1.067 301 A HN 2.304 nan 8.150 nan 0.000 0.489 302 V N -1.232 118.767 119.914 0.142 0.000 2.769 302 V HA 0.743 4.863 4.120 0.000 0.000 0.312 302 V C 0.885 177.092 176.094 0.188 0.000 1.061 302 V CA -0.126 62.270 62.300 0.160 0.000 0.931 302 V CB 0.990 32.932 31.823 0.199 0.000 1.010 302 V HN 1.362 nan 8.190 nan 0.000 0.433 303 A N 2.856 125.752 122.820 0.127 0.000 2.121 303 A HA 0.149 4.469 4.320 0.000 0.000 0.218 303 A C 0.902 178.585 177.584 0.166 0.000 1.154 303 A CA 1.002 53.105 52.037 0.109 0.000 0.679 303 A CB -0.462 18.486 19.000 -0.087 0.000 0.795 303 A HN 1.011 nan 8.150 nan 0.000 0.458 304 L N -0.894 120.406 121.223 0.128 0.000 2.326 304 L HA 0.401 4.741 4.340 0.000 0.000 0.278 304 L C 1.197 178.060 176.870 -0.012 0.000 1.092 304 L CA -0.135 54.723 54.840 0.030 0.000 0.810 304 L CB 0.945 43.021 42.059 0.029 0.000 1.153 304 L HN 0.241 nan 8.230 nan 0.000 0.439 305 K N 1.755 122.006 120.400 -0.249 0.000 2.034 305 K HA -0.180 4.140 4.320 0.000 0.000 0.214 305 K C 1.630 178.193 176.600 -0.062 0.000 1.051 305 K CA 2.323 58.416 56.287 -0.322 0.000 0.931 305 K CB -0.029 32.303 32.500 -0.279 0.000 0.715 305 K HN 0.898 nan 8.250 nan 0.000 0.446 306 S N -0.298 115.391 115.700 -0.018 0.000 2.380 306 S HA -0.185 4.285 4.470 0.000 0.000 0.213 306 S C 1.809 176.469 174.600 0.100 0.000 1.037 306 S CA 1.399 59.620 58.200 0.036 0.000 1.034 306 S CB -0.926 62.295 63.200 0.035 0.000 1.022 306 S HN 0.390 nan 8.310 nan 0.000 0.418 307 Y N 2.512 122.812 120.300 -0.000 0.000 2.403 307 Y HA -0.102 4.448 4.550 0.001 0.000 0.291 307 Y C 2.430 178.354 175.900 0.040 0.000 1.143 307 Y CA 1.356 59.464 58.100 0.014 0.000 1.257 307 Y CB -0.371 38.094 38.460 0.009 0.000 0.984 307 Y HN 0.260 nan 8.280 nan 0.000 0.550 308 E N 0.825 121.094 120.200 0.115 0.000 2.017 308 E HA -0.222 4.128 4.350 0.000 0.000 0.193 308 E C 1.814 178.430 176.600 0.026 0.000 0.997 308 E CA 2.168 58.630 56.400 0.103 0.000 0.804 308 E CB -0.282 29.602 29.700 0.308 0.000 0.757 308 E HN 0.581 nan 8.360 nan 0.000 0.448 309 E N 0.005 120.236 120.200 0.051 0.000 2.268 309 E HA -0.144 4.206 4.350 0.000 0.000 0.195 309 E C 1.920 178.493 176.600 -0.045 0.000 0.995 309 E CA 0.814 57.227 56.400 0.021 0.000 0.836 309 E CB -0.025 29.700 29.700 0.041 0.000 0.763 309 E HN 0.394 nan 8.360 nan 0.000 0.491 310 E N 0.463 120.603 120.200 -0.101 0.000 2.072 310 E HA -0.123 4.227 4.350 0.000 0.000 0.190 310 E C 1.831 178.293 176.600 -0.231 0.000 0.982 310 E CA 0.599 56.902 56.400 -0.162 0.000 0.803 310 E CB 0.157 29.740 29.700 -0.195 0.000 0.755 310 E HN 0.246 nan 8.360 nan 0.000 0.453 311 L N 0.180 121.209 121.223 -0.322 0.000 2.313 311 L HA 0.037 4.377 4.340 0.000 0.000 0.214 311 L C 2.464 179.240 176.870 -0.156 0.000 1.119 311 L CA 0.481 55.152 54.840 -0.282 0.000 0.809 311 L CB -0.275 41.590 42.059 -0.325 0.000 0.933 311 L HN 0.147 nan 8.230 nan 0.000 0.449 312 A N 0.221 122.979 122.820 -0.104 0.000 2.139 312 A HA -0.216 4.104 4.320 0.000 0.000 0.221 312 A C 2.276 179.823 177.584 -0.061 0.000 1.159 312 A CA 1.369 53.372 52.037 -0.057 0.000 0.662 312 A CB -0.360 18.631 19.000 -0.016 0.000 0.796 312 A HN 0.318 nan 8.150 nan 0.000 0.463 313 K N 0.149 120.502 120.400 -0.079 0.000 2.063 313 K HA -0.143 4.177 4.320 0.000 0.000 0.208 313 K C 0.453 177.004 176.600 -0.081 0.000 1.048 313 K CA 0.897 57.141 56.287 -0.072 0.000 0.928 313 K CB -0.276 32.178 32.500 -0.077 0.000 0.713 313 K HN 0.526 nan 8.250 nan 0.000 0.442 314 D N 0.569 120.906 120.400 -0.104 0.000 2.487 314 D HA -0.032 4.609 4.640 0.000 0.000 0.243 314 D C -1.917 174.323 176.300 -0.101 0.000 1.154 314 D CA -1.280 52.647 54.000 -0.121 0.000 0.876 314 D CB 1.384 42.088 40.800 -0.161 0.000 1.161 314 D HN -0.054 nan 8.370 nan 0.000 0.478 315 P HA -0.062 nan 4.420 nan 0.000 0.217 315 P C 1.226 178.490 177.300 -0.059 0.000 1.154 315 P CA 1.078 64.136 63.100 -0.070 0.000 0.841 315 P CB 0.089 31.744 31.700 -0.075 0.000 0.788 316 R N -0.335 120.106 120.500 -0.100 0.000 2.148 316 R HA 0.035 4.375 4.340 0.000 0.000 0.227 316 R C 2.084 178.395 176.300 0.019 0.000 1.103 316 R CA 1.084 57.165 56.100 -0.031 0.000 0.983 316 R CB -1.402 28.847 30.300 -0.086 0.000 0.874 316 R HN 0.175 nan 8.270 nan 0.000 0.451 317 I N 1.824 122.332 120.570 -0.104 0.000 2.193 317 I HA -0.183 3.987 4.170 0.000 0.000 0.240 317 I C 2.759 178.886 176.117 0.017 0.000 1.084 317 I CA 1.224 62.488 61.300 -0.060 0.000 1.365 317 I CB -0.474 37.450 38.000 -0.127 0.000 1.064 317 I HN 0.301 nan 8.210 nan 0.000 0.410 318 A N 0.908 123.721 122.820 -0.012 0.000 1.958 318 A HA -0.311 4.009 4.320 0.000 0.000 0.221 318 A C 2.501 180.095 177.584 0.017 0.000 1.178 318 A CA 2.252 54.287 52.037 -0.002 0.000 0.642 318 A CB -0.964 18.027 19.000 -0.014 0.000 0.816 318 A HN 0.493 nan 8.150 nan 0.000 0.453 319 A N -0.967 121.875 122.820 0.037 0.000 1.908 319 A HA -0.120 4.200 4.320 0.000 0.000 0.218 319 A C 2.281 179.893 177.584 0.048 0.000 1.181 319 A CA 2.364 54.427 52.037 0.043 0.000 0.627 319 A CB -1.363 17.674 19.000 0.062 0.000 0.818 319 A HN 0.505 nan 8.150 nan 0.000 0.445 320 T N -0.660 113.945 114.554 0.086 0.000 2.881 320 T HA -0.158 4.192 4.350 0.000 0.000 0.270 320 T C 1.815 176.557 174.700 0.070 0.000 1.068 320 T CA 1.736 63.894 62.100 0.096 0.000 1.131 320 T CB -0.233 68.737 68.868 0.171 0.000 0.871 320 T HN 0.398 nan 8.240 nan 0.000 0.479 321 M N 1.443 121.066 119.600 0.038 0.000 2.123 321 M HA 0.079 4.559 4.480 0.000 0.000 0.263 321 M C 2.100 178.369 176.300 -0.052 0.000 1.069 321 M CA 1.400 56.693 55.300 -0.011 0.000 1.133 321 M CB -0.519 32.054 32.600 -0.045 0.000 1.356 321 M HN 0.108 nan 8.290 nan 0.000 0.415 322 E N -0.258 119.920 120.200 -0.037 0.000 2.118 322 E HA -0.223 4.127 4.350 0.000 0.000 0.195 322 E C 1.750 178.327 176.600 -0.038 0.000 0.992 322 E CA 1.202 57.575 56.400 -0.046 0.000 0.804 322 E CB -0.174 29.511 29.700 -0.024 0.000 0.741 322 E HN 0.573 nan 8.360 nan 0.000 0.458 323 N N 0.340 119.038 118.700 -0.004 0.000 2.120 323 N HA -0.152 4.588 4.740 0.000 0.000 0.188 323 N C 1.732 177.258 175.510 0.025 0.000 1.024 323 N CA 1.292 54.353 53.050 0.020 0.000 0.852 323 N CB -0.223 38.289 38.487 0.042 0.000 1.003 323 N HN 0.115 nan 8.380 nan 0.000 0.424 324 A N 1.265 124.103 122.820 0.030 0.000 1.897 324 A HA -0.115 4.205 4.320 0.000 0.000 0.215 324 A C 2.178 179.664 177.584 -0.163 0.000 1.181 324 A CA 1.008 53.082 52.037 0.063 0.000 0.620 324 A CB -0.509 18.600 19.000 0.183 0.000 0.821 324 A HN 0.299 nan 8.150 nan 0.000 0.443 325 Q N -0.625 118.992 119.800 -0.305 0.000 2.096 325 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 325 Q C 1.580 177.383 176.000 -0.329 0.000 0.982 325 Q CA 1.839 57.334 55.803 -0.513 0.000 0.850 325 Q CB -0.130 28.400 28.738 -0.346 0.000 0.901 325 Q HN 0.519 nan 8.270 nan 0.000 0.422 326 K N -0.117 120.184 120.400 -0.164 0.000 2.444 326 K HA 0.087 4.407 4.320 0.000 0.000 0.193 326 K C 0.510 177.086 176.600 -0.041 0.000 1.024 326 K CA 0.060 56.294 56.287 -0.088 0.000 1.077 326 K CB 0.489 32.962 32.500 -0.045 0.000 0.833 326 K HN 0.159 nan 8.250 nan 0.000 0.517 327 G N 0.463 109.246 108.800 -0.028 0.000 2.621 327 G HA2 0.056 4.016 3.960 0.000 0.000 0.271 327 G HA3 0.056 4.016 3.960 0.000 0.000 0.271 327 G C -1.029 173.909 174.900 0.064 0.000 1.236 327 G CA -0.387 44.745 45.100 0.053 0.000 0.958 327 G HN 0.173 nan 8.290 nan 0.000 0.512 328 E N -0.024 120.225 120.200 0.080 0.000 2.182 328 E HA 0.226 4.576 4.350 0.000 0.000 0.258 328 E C 0.024 176.753 176.600 0.215 0.000 0.879 328 E CA -0.853 55.599 56.400 0.086 0.000 0.754 328 E CB 0.879 30.577 29.700 -0.003 0.000 1.162 328 E HN 0.160 nan 8.360 nan 0.000 0.419 329 I N 4.222 124.959 120.570 0.278 0.000 2.906 329 I HA -0.152 4.019 4.170 0.000 0.000 0.301 329 I C 0.842 177.266 176.117 0.513 0.000 1.221 329 I CA 0.890 62.413 61.300 0.372 0.000 1.435 329 I CB -0.302 37.850 38.000 0.254 0.000 1.345 329 I HN 0.765 nan 8.210 nan 0.000 0.558 330 M N 9.413 129.380 119.600 0.612 0.000 2.364 330 M HA 0.171 4.652 4.480 0.000 0.000 0.342 330 M C -2.119 174.338 176.300 0.261 0.000 1.601 330 M CA -1.013 54.563 55.300 0.461 0.000 1.156 330 M CB 0.331 33.072 32.600 0.235 0.000 1.912 330 M HN 0.281 nan 8.290 nan 0.000 0.460 331 P HA 0.066 nan 4.420 nan 0.000 0.271 331 P C -0.926 176.296 177.300 -0.130 0.000 1.233 331 P CA 0.111 63.130 63.100 -0.135 0.000 0.789 331 P CB 0.444 31.783 31.700 -0.602 0.000 0.951 332 N N -0.119 118.532 118.700 -0.082 0.000 2.200 332 N HA 0.121 4.861 4.740 0.000 0.000 0.224 332 N C 0.040 175.546 175.510 -0.006 0.000 1.179 332 N CA -0.253 52.799 53.050 0.004 0.000 0.877 332 N CB -0.636 37.971 38.487 0.201 0.000 1.072 332 N HN 0.311 nan 8.380 nan 0.000 0.519 333 I N -2.729 117.753 120.570 -0.147 0.000 2.428 333 I HA 0.433 4.603 4.170 0.000 0.000 0.289 333 I C -1.468 174.559 176.117 -0.150 0.000 1.019 333 I CA -2.198 59.023 61.300 -0.131 0.000 1.351 333 I CB 1.092 38.913 38.000 -0.298 0.000 1.412 333 I HN -0.252 nan 8.210 nan 0.000 0.513 334 P HA -0.176 nan 4.420 nan 0.000 0.223 334 P C 0.969 178.232 177.300 -0.061 0.000 1.144 334 P CA 1.324 64.384 63.100 -0.067 0.000 0.783 334 P CB 0.176 31.851 31.700 -0.041 0.000 0.771 335 Q N -1.545 118.187 119.800 -0.113 0.000 2.436 335 Q HA -0.009 4.331 4.340 0.000 0.000 0.209 335 Q C 2.120 178.162 176.000 0.070 0.000 0.965 335 Q CA 0.736 56.519 55.803 -0.033 0.000 0.910 335 Q CB -0.686 27.983 28.738 -0.115 0.000 0.980 335 Q HN 0.121 nan 8.270 nan 0.000 0.491 336 M N 0.239 119.815 119.600 -0.039 0.000 2.149 336 M HA -0.189 4.291 4.480 0.000 0.000 0.261 336 M C 1.850 178.103 176.300 -0.078 0.000 1.064 336 M CA 1.792 57.002 55.300 -0.149 0.000 1.102 336 M CB -0.342 32.097 32.600 -0.269 0.000 1.369 336 M HN 0.287 nan 8.290 nan 0.000 0.408 337 S N -0.462 115.313 115.700 0.124 0.000 2.419 337 S HA -0.086 4.384 4.470 0.000 0.000 0.235 337 S C 2.012 176.761 174.600 0.250 0.000 1.019 337 S CA 1.092 59.451 58.200 0.266 0.000 0.982 337 S CB -0.969 62.304 63.200 0.123 0.000 0.789 337 S HN 0.537 nan 8.310 nan 0.000 0.490 338 A N 1.557 124.496 122.820 0.197 0.000 1.861 338 A HA 0.226 4.546 4.320 0.000 0.000 0.212 338 A C 1.852 179.576 177.584 0.232 0.000 1.199 338 A CA 0.885 53.071 52.037 0.248 0.000 0.613 338 A CB -1.189 17.931 19.000 0.200 0.000 0.846 338 A HN 0.528 nan 8.150 nan 0.000 0.446 339 F N -0.201 119.735 119.950 -0.024 0.000 2.045 339 F HA -0.341 4.186 4.527 0.000 0.000 0.297 339 F C 2.066 177.775 175.800 -0.152 0.000 1.114 339 F CA 2.282 60.157 58.000 -0.209 0.000 1.207 339 F CB -0.703 38.019 39.000 -0.464 0.000 0.964 339 F HN 0.437 nan 8.300 nan 0.000 0.486 340 W N -0.647 120.639 121.300 -0.024 0.000 2.289 340 W HA -0.368 4.292 4.660 0.000 0.000 0.331 340 W C 2.669 179.072 176.519 -0.193 0.000 1.283 340 W CA 1.732 58.974 57.345 -0.172 0.000 1.252 340 W CB -1.341 28.095 29.460 -0.041 0.000 1.153 340 W HN 0.369 nan 8.180 nan 0.000 0.467 341 Y N 0.664 121.027 120.300 0.106 0.000 2.224 341 Y HA -0.122 4.428 4.550 0.000 0.000 0.289 341 Y C 2.122 177.996 175.900 -0.044 0.000 1.146 341 Y CA 1.840 59.949 58.100 0.015 0.000 1.182 341 Y CB -0.914 37.558 38.460 0.020 0.000 0.983 341 Y HN -0.082 nan 8.280 nan 0.000 0.524 342 A N -0.084 122.421 122.820 -0.525 0.000 1.970 342 A HA -0.000 4.320 4.320 0.000 0.000 0.216 342 A C 2.239 179.574 177.584 -0.415 0.000 1.170 342 A CA 1.331 52.981 52.037 -0.643 0.000 0.645 342 A CB -1.099 17.699 19.000 -0.337 0.000 0.816 342 A HN 0.359 nan 8.150 nan 0.000 0.447 343 V N 0.773 120.440 119.914 -0.412 0.000 2.295 343 V HA -0.279 3.842 4.120 0.000 0.000 0.246 343 V C 2.677 178.660 176.094 -0.186 0.000 1.049 343 V CA 2.386 64.487 62.300 -0.333 0.000 1.024 343 V CB -0.888 30.579 31.823 -0.594 0.000 0.648 343 V HN 0.772 nan 8.190 nan 0.000 0.447 344 R N 0.796 121.196 120.500 -0.168 0.000 2.119 344 R HA -0.214 4.126 4.340 0.000 0.000 0.246 344 R C 2.087 178.311 176.300 -0.126 0.000 1.146 344 R CA 2.690 58.731 56.100 -0.099 0.000 0.962 344 R CB -1.416 28.848 30.300 -0.060 0.000 0.863 344 R HN 0.491 nan 8.270 nan 0.000 0.442 345 T N 0.482 114.898 114.554 -0.230 0.000 2.595 345 T HA -0.175 4.176 4.350 0.000 0.000 0.264 345 T C 1.882 176.505 174.700 -0.129 0.000 1.058 345 T CA 2.067 64.042 62.100 -0.208 0.000 1.166 345 T CB -0.831 67.838 68.868 -0.332 0.000 0.863 345 T HN 0.518 nan 8.240 nan 0.000 0.415 346 A N 0.678 123.420 122.820 -0.130 0.000 1.892 346 A HA -0.098 4.222 4.320 0.000 0.000 0.218 346 A C 2.605 180.161 177.584 -0.047 0.000 1.188 346 A CA 1.900 53.889 52.037 -0.080 0.000 0.631 346 A CB -1.298 17.659 19.000 -0.072 0.000 0.822 346 A HN 0.335 nan 8.150 nan 0.000 0.447 347 V N 0.172 120.066 119.914 -0.033 0.000 2.295 347 V HA -0.238 3.883 4.120 0.000 0.000 0.246 347 V C 2.335 178.419 176.094 -0.016 0.000 1.049 347 V CA 2.236 64.532 62.300 -0.007 0.000 1.024 347 V CB -0.384 31.454 31.823 0.027 0.000 0.648 347 V HN 0.591 nan 8.190 nan 0.000 0.447 348 I N 0.536 121.090 120.570 -0.026 0.000 2.361 348 I HA -0.209 3.961 4.170 0.000 0.000 0.251 348 I C 2.172 178.273 176.117 -0.027 0.000 1.133 348 I CA 1.567 62.851 61.300 -0.027 0.000 1.413 348 I CB -0.482 37.500 38.000 -0.030 0.000 1.073 348 I HN 0.421 nan 8.210 nan 0.000 0.424 349 N N 0.929 119.610 118.700 -0.032 0.000 2.300 349 N HA -0.039 4.701 4.740 0.000 0.000 0.179 349 N C 1.845 177.341 175.510 -0.024 0.000 1.016 349 N CA 1.358 54.390 53.050 -0.029 0.000 0.876 349 N CB -0.207 38.260 38.487 -0.035 0.000 0.979 349 N HN 0.308 nan 8.380 nan 0.000 0.432 350 A N 0.890 123.696 122.820 -0.023 0.000 1.874 350 A HA 0.196 4.516 4.320 0.000 0.000 0.214 350 A C 2.006 179.579 177.584 -0.017 0.000 1.189 350 A CA 1.402 53.428 52.037 -0.018 0.000 0.615 350 A CB -0.695 18.296 19.000 -0.015 0.000 0.830 350 A HN 0.244 nan 8.150 nan 0.000 0.443 351 A N -0.431 122.379 122.820 -0.018 0.000 2.258 351 A HA 0.235 4.555 4.320 0.000 0.000 0.206 351 A C 1.740 179.311 177.584 -0.023 0.000 1.222 351 A CA 1.085 53.110 52.037 -0.020 0.000 0.822 351 A CB -0.542 18.446 19.000 -0.020 0.000 0.804 351 A HN 0.343 nan 8.150 nan 0.000 0.483 352 S N -1.327 114.361 115.700 -0.021 0.000 2.548 352 S HA 0.316 4.786 4.470 0.000 0.000 0.215 352 S C 1.594 176.183 174.600 -0.019 0.000 0.976 352 S CA 0.582 58.770 58.200 -0.020 0.000 0.908 352 S CB 0.068 63.257 63.200 -0.019 0.000 0.781 352 S HN 1.443 nan 8.310 nan 0.000 0.519 353 G N 2.382 111.171 108.800 -0.019 0.000 2.180 353 G HA2 -0.347 3.613 3.960 0.000 0.000 0.263 353 G HA3 -0.347 3.613 3.960 0.000 0.000 0.263 353 G C 0.978 175.869 174.900 -0.015 0.000 0.989 353 G CA 0.859 45.949 45.100 -0.017 0.000 0.692 353 G HN 0.471 nan 8.290 nan 0.000 0.526 354 R N -0.033 120.458 120.500 -0.015 0.000 2.237 354 R HA 0.171 4.511 4.340 0.000 0.000 0.195 354 R C 0.472 176.764 176.300 -0.013 0.000 0.956 354 R CA 0.817 56.909 56.100 -0.014 0.000 1.029 354 R CB 0.246 30.538 30.300 -0.014 0.000 0.972 354 R HN 0.541 nan 8.270 nan 0.000 0.493 355 Q N 1.072 120.863 119.800 -0.015 0.000 2.305 355 Q HA 0.188 4.528 4.340 0.000 0.000 0.271 355 Q C -1.155 174.837 176.000 -0.013 0.000 1.046 355 Q CA -0.573 55.221 55.803 -0.015 0.000 0.798 355 Q CB 2.662 31.389 28.738 -0.018 0.000 1.286 355 Q HN 0.186 nan 8.270 nan 0.000 0.435 356 T N -1.393 113.155 114.554 -0.010 0.000 2.870 356 T HA 0.117 4.467 4.350 0.000 0.000 0.300 356 T C 1.607 176.302 174.700 -0.008 0.000 0.989 356 T CA -0.639 61.456 62.100 -0.008 0.000 1.139 356 T CB 0.758 69.623 68.868 -0.005 0.000 0.920 356 T HN 0.387 nan 8.240 nan 0.000 0.537 357 V N 2.929 122.840 119.914 -0.006 0.000 2.255 357 V HA -0.397 3.723 4.120 0.000 0.000 0.258 357 V C 2.534 178.624 176.094 -0.006 0.000 1.069 357 V CA 2.590 64.887 62.300 -0.004 0.000 1.082 357 V CB -1.018 30.807 31.823 0.003 0.000 0.707 357 V HN 0.988 nan 8.190 nan 0.000 0.466 358 D N 0.702 121.101 120.400 -0.003 0.000 2.177 358 D HA -0.284 4.356 4.640 0.000 0.000 0.189 358 D C 2.168 178.464 176.300 -0.008 0.000 1.002 358 D CA 2.197 56.195 54.000 -0.004 0.000 0.845 358 D CB -0.604 40.195 40.800 -0.001 0.000 0.960 358 D HN 0.575 nan 8.370 nan 0.000 0.447 359 A N 1.477 124.292 122.820 -0.008 0.000 1.883 359 A HA -0.053 4.267 4.320 0.000 0.000 0.217 359 A C 2.439 180.013 177.584 -0.017 0.000 1.186 359 A CA 2.788 54.818 52.037 -0.011 0.000 0.624 359 A CB -0.903 18.091 19.000 -0.010 0.000 0.822 359 A HN 0.307 nan 8.150 nan 0.000 0.444 360 A N -1.012 121.797 122.820 -0.019 0.000 1.972 360 A HA 0.045 4.365 4.320 0.000 0.000 0.219 360 A C 2.189 179.753 177.584 -0.033 0.000 1.169 360 A CA 1.470 53.491 52.037 -0.028 0.000 0.635 360 A CB -0.406 18.578 19.000 -0.027 0.000 0.810 360 A HN 0.482 nan 8.150 nan 0.000 0.446 361 L N -1.437 119.772 121.223 -0.023 0.000 2.130 361 L HA 0.014 4.354 4.340 0.000 0.000 0.200 361 L C 2.996 179.853 176.870 -0.021 0.000 1.075 361 L CA 0.854 55.681 54.840 -0.021 0.000 0.768 361 L CB -0.369 41.683 42.059 -0.011 0.000 0.933 361 L HN 0.376 nan 8.230 nan 0.000 0.451 362 A N -0.223 122.587 122.820 -0.017 0.000 2.019 362 A HA -0.140 4.181 4.320 0.000 0.000 0.219 362 A C 2.306 179.880 177.584 -0.017 0.000 1.164 362 A CA 1.654 53.683 52.037 -0.014 0.000 0.644 362 A CB -0.528 18.466 19.000 -0.009 0.000 0.805 362 A HN 0.449 nan 8.150 nan 0.000 0.449 363 A N -0.494 122.312 122.820 -0.022 0.000 2.021 363 A HA 0.383 4.704 4.320 0.000 0.000 0.216 363 A C 2.398 179.957 177.584 -0.042 0.000 1.163 363 A CA 1.384 53.406 52.037 -0.026 0.000 0.676 363 A CB -0.767 18.217 19.000 -0.026 0.000 0.818 363 A HN 0.876 nan 8.150 nan 0.000 0.453 364 A N 0.031 122.817 122.820 -0.057 0.000 1.851 364 A HA -0.272 4.048 4.320 0.000 0.000 0.216 364 A C 2.130 179.674 177.584 -0.067 0.000 1.195 364 A CA 2.326 54.309 52.037 -0.089 0.000 0.622 364 A CB -0.838 18.102 19.000 -0.099 0.000 0.831 364 A HN 0.583 nan 8.150 nan 0.000 0.444 365 Q N 0.097 119.872 119.800 -0.041 0.000 2.142 365 Q HA -0.269 4.071 4.340 0.000 0.000 0.213 365 Q C 1.949 177.946 176.000 -0.004 0.000 1.004 365 Q CA 3.892 59.683 55.803 -0.021 0.000 0.883 365 Q CB -0.922 27.808 28.738 -0.014 0.000 0.939 365 Q HN 0.760 nan 8.270 nan 0.000 0.413 366 T N -2.461 112.090 114.554 -0.005 0.000 2.852 366 T HA 0.020 4.371 4.350 0.000 0.000 0.256 366 T C 1.565 176.273 174.700 0.015 0.000 1.038 366 T CA 0.866 62.971 62.100 0.009 0.000 1.141 366 T CB -0.475 68.397 68.868 0.006 0.000 0.869 366 T HN 0.221 nan 8.240 nan 0.000 0.439 367 N N 1.743 120.441 118.700 -0.003 0.000 2.666 367 N HA 0.233 4.973 4.740 0.000 0.000 0.194 367 N C 1.336 176.860 175.510 0.023 0.000 1.220 367 N CA 0.748 53.801 53.050 0.006 0.000 0.928 367 N CB -0.140 38.326 38.487 -0.034 0.000 0.997 367 N HN 0.712 nan 8.380 nan 0.000 0.447 368 A N -0.479 122.354 122.820 0.020 0.000 1.993 368 A HA 0.440 4.760 4.320 0.000 0.000 0.202 368 A C 2.087 179.727 177.584 0.094 0.000 1.461 368 A CA 0.688 52.757 52.037 0.052 0.000 0.824 368 A CB -0.578 18.423 19.000 0.001 0.000 1.024 368 A HN 0.175 nan 8.150 nan 0.000 0.507 369 A N 0.315 123.181 122.820 0.076 0.000 1.898 369 A HA 0.235 4.555 4.320 0.000 0.000 0.216 369 A C 2.404 180.038 177.584 0.084 0.000 1.181 369 A CA 2.183 54.278 52.037 0.096 0.000 0.620 369 A CB -0.906 18.140 19.000 0.077 0.000 0.819 369 A HN 0.991 nan 8.150 nan 0.000 0.442 370 A N -0.966 121.893 122.820 0.064 0.000 1.840 370 A HA 0.020 4.340 4.320 0.000 0.000 0.214 370 A C 2.161 179.781 177.584 0.060 0.000 1.198 370 A CA 2.118 54.187 52.037 0.053 0.000 0.608 370 A CB -0.654 18.369 19.000 0.039 0.000 0.839 370 A HN 0.541 nan 8.150 nan 0.000 0.443 371 M N 0.745 120.391 119.600 0.076 0.000 2.113 371 M HA -0.236 4.244 4.480 0.000 0.000 0.255 371 M C 2.116 178.467 176.300 0.084 0.000 1.073 371 M CA 2.130 57.486 55.300 0.093 0.000 1.091 371 M CB -0.956 31.748 32.600 0.172 0.000 1.309 371 M HN 0.449 nan 8.290 nan 0.000 0.407 372 A N -0.661 122.223 122.820 0.107 0.000 1.881 372 A HA -0.299 4.021 4.320 0.000 0.000 0.219 372 A C 2.283 179.905 177.584 0.063 0.000 1.215 372 A CA 3.707 55.805 52.037 0.102 0.000 0.648 372 A CB -1.879 17.207 19.000 0.144 0.000 0.832 372 A HN 0.760 nan 8.150 nan 0.000 0.455 373 T N -0.635 113.954 114.554 0.059 0.000 2.564 373 T HA -0.120 4.230 4.350 0.000 0.000 0.259 373 T C 1.791 176.507 174.700 0.027 0.000 1.087 373 T CA 1.530 63.653 62.100 0.039 0.000 1.184 373 T CB -1.042 67.849 68.868 0.038 0.000 0.864 373 T HN 0.298 nan 8.240 nan 0.000 0.403 374 L N 1.400 122.636 121.223 0.022 0.000 2.263 374 L HA -0.119 4.221 4.340 0.000 0.000 0.216 374 L C 2.949 179.815 176.870 -0.006 0.000 1.111 374 L CA 1.593 56.434 54.840 0.003 0.000 0.773 374 L CB -0.828 41.229 42.059 -0.003 0.000 0.906 374 L HN 0.484 nan 8.230 nan 0.000 0.439 375 E N 1.406 121.609 120.200 0.004 0.000 2.008 375 E HA -0.248 4.102 4.350 0.000 0.000 0.191 375 E C 2.187 178.789 176.600 0.004 0.000 0.986 375 E CA 1.444 57.840 56.400 -0.007 0.000 0.807 375 E CB 0.054 29.748 29.700 -0.011 0.000 0.766 375 E HN 0.559 nan 8.360 nan 0.000 0.450 376 K N 0.583 120.991 120.400 0.013 0.000 2.281 376 K HA -0.135 4.185 4.320 0.000 0.000 0.203 376 K C 2.079 178.700 176.600 0.035 0.000 1.046 376 K CA 1.396 57.695 56.287 0.020 0.000 0.938 376 K CB -0.303 32.207 32.500 0.017 0.000 0.737 376 K HN 0.199 nan 8.250 nan 0.000 0.458 377 L N -0.154 121.089 121.223 0.033 0.000 2.156 377 L HA -0.013 4.327 4.340 0.000 0.000 0.208 377 L C 2.684 179.599 176.870 0.075 0.000 1.095 377 L CA 0.532 55.399 54.840 0.046 0.000 0.770 377 L CB -0.459 41.616 42.059 0.026 0.000 0.914 377 L HN 0.243 nan 8.230 nan 0.000 0.439 378 M N 0.094 119.721 119.600 0.046 0.000 2.200 378 M HA -0.126 4.354 4.480 0.000 0.000 0.265 378 M C 2.124 178.545 176.300 0.201 0.000 1.066 378 M CA 1.629 56.973 55.300 0.073 0.000 1.127 378 M CB -0.467 32.116 32.600 -0.029 0.000 1.379 378 M HN 0.042 nan 8.290 nan 0.000 0.420 379 K N 0.010 120.473 120.400 0.106 0.000 2.211 379 K HA 0.027 4.347 4.320 0.000 0.000 0.203 379 K C 1.937 178.583 176.600 0.077 0.000 1.050 379 K CA 1.165 57.500 56.287 0.080 0.000 0.945 379 K CB -0.229 32.289 32.500 0.030 0.000 0.732 379 K HN 0.292 nan 8.250 nan 0.000 0.451 380 A N 0.564 123.443 122.820 0.099 0.000 1.855 380 A HA -0.167 4.153 4.320 0.000 0.000 0.215 380 A C 2.030 179.683 177.584 0.115 0.000 1.191 380 A CA 1.429 53.525 52.037 0.099 0.000 0.613 380 A CB -0.897 18.161 19.000 0.097 0.000 0.829 380 A HN 0.432 nan 8.150 nan 0.000 0.442 381 F N 0.724 120.674 119.950 0.001 0.000 2.087 381 F HA -0.255 4.273 4.527 0.000 0.000 0.299 381 F C 2.161 177.947 175.800 -0.023 0.000 1.100 381 F CA 2.497 60.494 58.000 -0.005 0.000 1.226 381 F CB -0.078 38.917 39.000 -0.008 0.000 0.983 381 F HN 0.298 nan 8.300 nan 0.000 0.479 382 E N 0.605 120.745 120.200 -0.100 0.000 2.076 382 E HA -0.148 4.202 4.350 0.000 0.000 0.190 382 E C 2.388 178.819 176.600 -0.282 0.000 0.979 382 E CA 1.365 57.596 56.400 -0.283 0.000 0.807 382 E CB -0.268 29.434 29.700 0.003 0.000 0.761 382 E HN 0.587 nan 8.360 nan 0.000 0.454 383 S N 0.860 116.445 115.700 -0.191 0.000 2.419 383 S HA -0.091 4.379 4.470 0.000 0.000 0.233 383 S C 2.208 176.543 174.600 -0.441 0.000 1.016 383 S CA 0.532 58.546 58.200 -0.309 0.000 0.974 383 S CB -0.417 62.701 63.200 -0.137 0.000 0.786 383 S HN 0.211 nan 8.310 nan 0.000 0.492 384 L N 0.308 121.417 121.223 -0.190 0.000 2.083 384 L HA -0.070 4.270 4.340 0.000 0.000 0.209 384 L C 2.638 179.417 176.870 -0.151 0.000 1.083 384 L CA 1.486 56.293 54.840 -0.055 0.000 0.752 384 L CB -0.451 41.583 42.059 -0.042 0.000 0.899 384 L HN 0.293 nan 8.230 nan 0.000 0.433 385 K N 0.230 120.462 120.400 -0.280 0.000 2.026 385 K HA -0.127 4.193 4.320 0.000 0.000 0.208 385 K C 2.173 178.637 176.600 -0.227 0.000 1.048 385 K CA 1.648 57.788 56.287 -0.246 0.000 0.929 385 K CB -0.431 31.890 32.500 -0.299 0.000 0.713 385 K HN 0.320 nan 8.250 nan 0.000 0.439 386 S N 0.205 115.693 115.700 -0.354 0.000 2.400 386 S HA -0.143 4.327 4.470 0.000 0.000 0.232 386 S C 1.692 176.113 174.600 -0.298 0.000 1.025 386 S CA 1.201 59.175 58.200 -0.376 0.000 0.993 386 S CB -0.555 62.341 63.200 -0.506 0.000 0.808 386 S HN 0.145 nan 8.310 nan 0.000 0.478 387 F N 1.436 121.351 119.950 -0.059 0.000 2.512 387 F HA 0.266 4.794 4.527 0.000 0.000 0.296 387 F C 2.641 178.414 175.800 -0.045 0.000 1.110 387 F CA -0.049 57.923 58.000 -0.047 0.000 1.446 387 F CB -0.573 38.400 39.000 -0.044 0.000 1.092 387 F HN 0.247 nan 8.300 nan 0.000 0.554 388 Q N -0.393 119.451 119.800 0.074 0.000 2.376 388 Q HA -0.038 4.303 4.340 0.000 0.000 0.206 388 Q C 1.522 177.520 176.000 -0.005 0.000 0.921 388 Q CA 0.511 56.330 55.803 0.027 0.000 0.911 388 Q CB 0.408 29.144 28.738 -0.003 0.000 1.032 388 Q HN 0.494 nan 8.270 nan 0.000 0.510 389 Q N -0.352 119.428 119.800 -0.033 0.000 1.957 389 Q HA -0.048 4.292 4.340 0.000 0.000 0.251 389 Q C 1.817 177.803 176.000 -0.024 0.000 0.973 389 Q CA 0.037 55.815 55.803 -0.042 0.000 0.862 389 Q CB -0.262 28.432 28.738 -0.074 0.000 0.962 389 Q HN 0.137 nan 8.270 nan 0.000 0.473 390 Q N 0.926 120.704 119.800 -0.037 0.000 2.182 390 Q HA -0.337 4.003 4.340 0.000 0.000 0.213 390 Q C 2.003 178.010 176.000 0.011 0.000 1.000 390 Q CA 2.099 57.891 55.803 -0.019 0.000 0.889 390 Q CB -0.035 28.683 28.738 -0.033 0.000 0.932 390 Q HN 0.318 nan 8.270 nan 0.000 0.415 391 Q N -0.586 119.237 119.800 0.040 0.000 2.002 391 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 391 Q C 2.117 178.133 176.000 0.026 0.000 0.988 391 Q CA 2.105 57.940 55.803 0.054 0.000 0.843 391 Q CB 0.049 28.842 28.738 0.092 0.000 0.908 391 Q HN 0.367 nan 8.270 nan 0.000 0.420 392 Q N -0.459 119.352 119.800 0.019 0.000 2.163 392 Q HA -0.103 4.237 4.340 0.000 0.000 0.198 392 Q C 1.974 177.975 176.000 0.002 0.000 0.954 392 Q CA 1.429 57.237 55.803 0.009 0.000 0.851 392 Q CB -0.151 28.592 28.738 0.007 0.000 0.928 392 Q HN 0.671 nan 8.270 nan 0.000 0.459 393 Q N 0.311 120.109 119.800 -0.002 0.000 1.922 393 Q HA -0.145 4.196 4.340 0.000 0.000 0.201 393 Q C 2.308 178.305 176.000 -0.005 0.000 0.979 393 Q CA 1.829 57.628 55.803 -0.006 0.000 0.841 393 Q CB -0.969 27.761 28.738 -0.012 0.000 0.903 393 Q HN 0.222 nan 8.270 nan 0.000 0.431 394 Q N 0.629 120.426 119.800 -0.005 0.000 2.020 394 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 394 Q C 2.381 178.381 176.000 -0.001 0.000 0.982 394 Q CA 2.837 58.638 55.803 -0.004 0.000 0.838 394 Q CB -1.831 26.904 28.738 -0.005 0.000 0.899 394 Q HN 0.734 nan 8.270 nan 0.000 0.423 395 Q N -0.656 119.146 119.800 0.002 0.000 1.998 395 Q HA 0.090 4.430 4.340 0.000 0.000 0.209 395 Q C 1.932 177.932 176.000 0.001 0.000 1.002 395 Q CA 3.232 59.037 55.803 0.003 0.000 0.858 395 Q CB -1.293 27.450 28.738 0.007 0.000 0.932 395 Q HN 1.230 nan 8.270 nan 0.000 0.416 400 Q N -0.891 118.898 119.800 -0.019 0.000 2.511 400 Q HA 1.144 5.484 4.340 0.000 0.000 0.289 400 Q C 0.317 176.296 176.000 -0.035 0.000 1.021 400 Q CA 0.729 56.519 55.803 -0.023 0.000 0.785 400 Q CB 0.309 29.036 28.738 -0.019 0.000 1.472 400 Q HN 2.784 nan 8.270 nan 0.000 0.411 401 Q N -3.443 116.336 119.800 -0.034 0.000 3.197 401 Q HA 0.450 4.790 4.340 0.000 0.000 0.025 401 Q C 0.213 176.183 176.000 -0.049 0.000 1.701 401 Q CA 2.873 58.651 55.803 -0.042 0.000 0.234 401 Q CB -2.476 26.232 28.738 -0.050 0.000 1.166 401 Q HN 2.859 nan 8.270 nan 0.000 0.321 402 Q N -1.893 117.878 119.800 -0.048 0.000 1.666 402 Q HA 0.962 5.302 4.340 0.000 0.000 0.258 402 Q C 0.982 176.956 176.000 -0.042 0.000 0.430 402 Q CA 1.957 57.731 55.803 -0.048 0.000 0.695 402 Q CB -1.335 27.384 28.738 -0.033 0.000 1.021 402 Q HN 3.250 nan 8.270 nan 0.000 0.150 403 Q N -1.884 117.904 119.800 -0.020 0.000 2.373 403 Q HA 0.489 4.829 4.340 0.000 0.000 0.333 403 Q C -0.096 175.921 176.000 0.029 0.000 1.359 403 Q CA 1.657 57.458 55.803 -0.003 0.000 0.830 403 Q CB -3.209 25.521 28.738 -0.014 0.000 1.044 403 Q HN 2.508 nan 8.270 nan 0.000 0.328 404 Q N 1.136 120.969 119.800 0.056 0.000 2.347 404 Q HA 0.727 5.067 4.340 0.000 0.000 0.265 404 Q C -2.402 173.653 176.000 0.092 0.000 1.024 404 Q CA -1.034 54.850 55.803 0.135 0.000 0.731 404 Q CB 1.233 30.053 28.738 0.137 0.000 1.245 404 Q HN 0.955 nan 8.270 nan 0.000 0.472 405 P HA 0.298 nan 4.420 nan 0.000 0.273 405 P C -2.061 175.218 177.300 -0.035 0.000 1.531 405 P CA -1.435 61.686 63.100 0.034 0.000 1.027 405 P CB 1.423 33.153 31.700 0.050 0.000 1.387 406 P HA 0.106 nan 4.420 nan 0.000 0.236 406 P C -1.767 175.484 177.300 -0.082 0.000 1.177 406 P CA 0.451 63.493 63.100 -0.097 0.000 0.773 406 P CB -1.038 30.619 31.700 -0.071 0.000 0.878 407 P HA 0.403 nan 4.420 nan 0.000 0.285 407 P C -2.574 174.702 177.300 -0.039 0.000 1.448 407 P CA -1.360 61.714 63.100 -0.042 0.000 0.953 407 P CB 0.712 32.396 31.700 -0.026 0.000 1.175 408 P HA 0.561 nan 4.420 nan 0.000 0.330 408 P C -2.548 174.736 177.300 -0.028 0.000 1.274 408 P CA -1.997 61.082 63.100 -0.036 0.000 0.802 408 P CB -1.105 30.566 31.700 -0.048 0.000 1.384 409 P HA -0.006 nan 4.420 nan 0.000 0.269 409 P C -2.290 175.001 177.300 -0.016 0.000 1.153 409 P CA 0.130 63.221 63.100 -0.016 0.000 0.754 409 P CB -1.027 30.665 31.700 -0.014 0.000 0.758 410 P HA 0.303 nan 4.420 nan 0.000 0.195 410 P C -2.134 175.161 177.300 -0.007 0.000 1.887 410 P CA -1.382 61.712 63.100 -0.010 0.000 1.161 410 P CB 0.646 32.341 31.700 -0.008 0.000 1.759 411 P HA 0.111 nan 4.420 nan 0.000 0.227 411 P C -1.688 175.610 177.300 -0.004 0.000 1.161 411 P CA 0.157 63.254 63.100 -0.006 0.000 0.788 411 P CB -1.527 30.169 31.700 -0.006 0.000 0.822 412 P HA 0.050 nan 4.420 nan 0.000 0.257 412 P C -2.181 175.117 177.300 -0.002 0.000 1.189 412 P CA -0.344 62.754 63.100 -0.003 0.000 0.780 412 P CB -0.745 30.953 31.700 -0.002 0.000 0.772 413 P HA 0.188 nan 4.420 nan 0.000 0.277 413 P C -1.697 175.602 177.300 -0.001 0.000 1.240 413 P CA -1.395 61.704 63.100 -0.001 0.000 0.798 413 P CB 0.348 32.047 31.700 -0.001 0.000 0.979 414 P HA 0.028 nan 4.420 nan 0.000 0.216 414 P C -1.209 176.091 177.300 -0.000 0.000 1.153 414 P CA 1.024 64.124 63.100 -0.001 0.000 0.848 414 P CB -1.804 29.896 31.700 -0.001 0.000 0.787 415 P HA 0.266 nan 4.420 nan 0.000 0.270 415 P C 0.185 177.485 177.300 0.000 0.000 1.223 415 P CA 0.416 63.516 63.100 0.000 0.000 0.785 415 P CB 0.612 32.312 31.700 0.000 0.000 0.923 416 Q N -0.285 119.515 119.800 0.000 0.000 2.365 416 Q HA 0.564 4.904 4.340 0.000 0.000 0.300 416 Q C 0.426 176.426 176.000 0.001 0.000 0.778 416 Q CA 0.294 56.097 55.803 0.000 0.000 0.647 416 Q CB -0.212 28.526 28.738 0.000 0.000 2.776 416 Q HN 0.621 nan 8.270 nan 0.000 0.217 417 L N 1.894 123.117 121.223 0.001 0.000 2.456 417 L HA 0.835 5.175 4.340 0.000 0.000 0.257 417 L C -1.393 175.478 176.870 0.001 0.000 1.162 417 L CA -0.827 54.014 54.840 0.001 0.000 0.808 417 L CB -0.971 41.088 42.059 0.001 0.000 1.136 417 L HN 0.802 nan 8.230 nan 0.000 0.466 418 P HA 0.707 nan 4.420 nan 0.000 0.281 418 P C -0.318 176.982 177.300 0.000 0.000 1.281 418 P CA 0.218 63.319 63.100 0.001 0.000 0.811 418 P CB 0.602 32.302 31.700 0.001 0.000 1.154 419 Q N 0.000 119.800 119.800 0.000 0.000 2.315 419 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 419 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 419 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 419 Q HN 0.000 nan 8.270 nan 0.000 0.481