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 1at1_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFQ TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQQTEG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPEYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.565 177.584 -0.032 0.000 1.274 1 A CA 0.000 51.975 52.037 -0.102 0.000 0.836 1 A CB 0.000 18.968 19.000 -0.054 0.000 0.831 2 N N 2.236 120.938 118.700 0.003 0.000 2.430 2 N HA 0.767 5.507 4.740 -0.000 0.000 0.298 2 N C -1.504 174.069 175.510 0.105 0.000 1.130 2 N CA -1.554 51.529 53.050 0.056 0.000 0.894 2 N CB 1.777 40.303 38.487 0.064 0.000 1.209 2 N HN 0.182 nan 8.380 nan 0.000 0.503 3 P HA -0.080 nan 4.420 nan 0.000 0.216 3 P C 0.975 178.319 177.300 0.073 0.000 1.153 3 P CA 1.179 64.321 63.100 0.070 0.000 0.844 3 P CB 0.303 32.032 31.700 0.048 0.000 0.787 4 L N -2.097 119.173 121.223 0.079 0.000 2.554 4 L HA 0.068 4.407 4.340 -0.000 0.000 0.226 4 L C 1.284 178.187 176.870 0.055 0.000 1.137 4 L CA -0.441 54.435 54.840 0.060 0.000 0.863 4 L CB -0.879 41.218 42.059 0.063 0.000 0.985 4 L HN -0.057 nan 8.230 nan 0.000 0.451 5 Y N 2.538 122.842 120.300 0.007 0.000 2.802 5 Y HA -0.189 4.361 4.550 -0.000 0.000 0.333 5 Y C 0.928 176.818 175.900 -0.016 0.000 1.244 5 Y CA 0.207 58.308 58.100 0.002 0.000 1.558 5 Y CB 0.268 38.729 38.460 0.002 0.000 1.233 5 Y HN 0.219 nan 8.280 nan 0.000 0.547 6 Q N 1.297 120.736 119.800 -0.602 0.000 2.324 6 Q HA -0.245 4.095 4.340 -0.000 0.000 0.200 6 Q C -0.313 175.498 176.000 -0.315 0.000 0.645 6 Q CA 1.237 56.739 55.803 -0.501 0.000 1.377 6 Q CB -1.193 27.177 28.738 -0.613 0.000 1.486 6 Q HN 0.641 nan 8.270 nan 0.000 0.796 7 K N 1.390 121.674 120.400 -0.194 0.000 2.219 7 K HA 0.235 4.555 4.320 -0.000 0.000 0.258 7 K C 0.277 176.851 176.600 -0.043 0.000 1.008 7 K CA -0.086 56.116 56.287 -0.140 0.000 0.928 7 K CB 0.249 32.724 32.500 -0.041 0.000 0.983 7 K HN 0.118 nan 8.250 nan 0.000 0.484 8 H N 1.761 120.816 119.070 -0.026 0.000 2.562 8 H HA 0.253 4.809 4.556 -0.000 0.000 0.314 8 H C -0.059 175.274 175.328 0.009 0.000 1.079 8 H CA -0.421 55.617 56.048 -0.016 0.000 1.349 8 H CB 0.668 30.416 29.762 -0.024 0.000 1.432 8 H HN 0.191 nan 8.280 nan 0.000 0.479 9 I N 5.846 126.498 120.570 0.137 0.000 2.412 9 I HA 0.109 4.279 4.170 -0.000 0.000 0.279 9 I C 1.059 177.235 176.117 0.099 0.000 1.063 9 I CA 0.114 61.482 61.300 0.113 0.000 1.193 9 I CB 0.163 38.238 38.000 0.125 0.000 1.370 9 I HN 0.576 nan 8.210 nan 0.000 0.479 10 I N 2.129 122.747 120.570 0.080 0.000 3.098 10 I HA 0.072 4.242 4.170 -0.000 0.000 0.241 10 I C 1.061 177.219 176.117 0.069 0.000 1.081 10 I CA 0.579 61.912 61.300 0.056 0.000 1.487 10 I CB 0.323 38.335 38.000 0.021 0.000 1.366 10 I HN 0.411 nan 8.210 nan 0.000 0.463 11 S N 0.345 116.081 115.700 0.060 0.000 2.532 11 S HA 0.387 4.857 4.470 -0.000 0.000 0.301 11 S C 0.988 175.630 174.600 0.070 0.000 1.083 11 S CA -0.707 57.530 58.200 0.062 0.000 1.025 11 S CB 1.211 64.432 63.200 0.035 0.000 1.056 11 S HN 0.134 nan 8.310 nan 0.000 0.494 12 I N 3.648 124.267 120.570 0.082 0.000 2.286 12 I HA -0.153 4.017 4.170 -0.000 0.000 0.248 12 I C 2.187 178.343 176.117 0.065 0.000 1.115 12 I CA 1.129 62.479 61.300 0.083 0.000 1.392 12 I CB -1.250 36.807 38.000 0.095 0.000 1.065 12 I HN 0.705 nan 8.210 nan 0.000 0.418 13 N N 1.320 120.050 118.700 0.051 0.000 2.091 13 N HA -0.221 4.518 4.740 -0.000 0.000 0.193 13 N C 1.266 176.793 175.510 0.028 0.000 1.021 13 N CA 1.777 54.847 53.050 0.033 0.000 0.862 13 N CB -0.240 38.256 38.487 0.015 0.000 1.018 13 N HN 0.437 nan 8.380 nan 0.000 0.429 14 D N 0.487 120.906 120.400 0.031 0.000 2.178 14 D HA -0.049 4.591 4.640 -0.000 0.000 0.202 14 D C 0.807 177.128 176.300 0.034 0.000 0.974 14 D CA 0.397 54.414 54.000 0.029 0.000 0.841 14 D CB 0.119 40.940 40.800 0.035 0.000 0.953 14 D HN 0.154 nan 8.370 nan 0.000 0.478 15 L N 1.297 122.548 121.223 0.047 0.000 2.375 15 L HA 0.201 4.541 4.340 -0.000 0.000 0.271 15 L C 1.068 177.963 176.870 0.041 0.000 1.107 15 L CA -0.007 54.864 54.840 0.051 0.000 0.806 15 L CB 1.377 43.479 42.059 0.071 0.000 1.146 15 L HN 0.001 nan 8.230 nan 0.000 0.447 16 S N 2.935 118.653 115.700 0.031 0.000 2.766 16 S HA 0.438 4.908 4.470 -0.000 0.000 0.307 16 S C 0.988 175.580 174.600 -0.012 0.000 1.121 16 S CA -0.726 57.476 58.200 0.003 0.000 0.980 16 S CB 1.917 65.114 63.200 -0.006 0.000 1.159 16 S HN 0.610 nan 8.310 nan 0.000 0.546 17 R N 0.213 120.662 120.500 -0.085 0.000 2.120 17 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 17 R C 0.740 177.008 176.300 -0.054 0.000 1.123 17 R CA 2.183 58.173 56.100 -0.183 0.000 0.975 17 R CB -0.775 29.315 30.300 -0.349 0.000 0.866 17 R HN 0.810 nan 8.270 nan 0.000 0.446 18 D N -0.336 120.051 120.400 -0.023 0.000 2.249 18 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 18 D C 1.110 177.438 176.300 0.046 0.000 0.962 18 D CA 0.748 54.758 54.000 0.016 0.000 0.860 18 D CB 0.055 40.859 40.800 0.007 0.000 0.955 18 D HN 0.202 nan 8.370 nan 0.000 0.505 19 D N 0.489 120.917 120.400 0.046 0.000 2.178 19 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 19 D C 2.104 178.454 176.300 0.083 0.000 0.974 19 D CA 0.523 54.559 54.000 0.060 0.000 0.841 19 D CB -0.195 40.639 40.800 0.056 0.000 0.953 19 D HN 0.250 nan 8.370 nan 0.000 0.478 20 L N 0.451 121.737 121.223 0.106 0.000 2.005 20 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 20 L C 2.041 179.010 176.870 0.165 0.000 1.072 20 L CA 1.195 56.127 54.840 0.153 0.000 0.744 20 L CB -0.507 41.690 42.059 0.229 0.000 0.895 20 L HN -0.040 nan 8.230 nan 0.000 0.433 21 N N -0.366 118.442 118.700 0.180 0.000 2.289 21 N HA -0.196 4.544 4.740 -0.000 0.000 0.184 21 N C 1.657 177.235 175.510 0.114 0.000 1.016 21 N CA 0.588 53.739 53.050 0.168 0.000 0.872 21 N CB -0.017 38.569 38.487 0.164 0.000 0.973 21 N HN 0.130 nan 8.380 nan 0.000 0.433 22 L N 0.311 121.588 121.223 0.089 0.000 2.093 22 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 22 L C 1.740 178.648 176.870 0.064 0.000 1.085 22 L CA 1.344 56.225 54.840 0.069 0.000 0.755 22 L CB -0.452 41.643 42.059 0.059 0.000 0.904 22 L HN -0.035 nan 8.230 nan 0.000 0.435 23 V N -0.141 119.814 119.914 0.068 0.000 2.295 23 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 23 V C 2.576 178.686 176.094 0.026 0.000 1.049 23 V CA 2.071 64.398 62.300 0.044 0.000 1.024 23 V CB -0.615 31.238 31.823 0.049 0.000 0.648 23 V HN 0.449 nan 8.190 nan 0.000 0.447 24 L N 0.202 121.472 121.223 0.077 0.000 2.083 24 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 24 L C 2.749 179.688 176.870 0.114 0.000 1.083 24 L CA 1.533 56.449 54.840 0.126 0.000 0.752 24 L CB -0.952 41.239 42.059 0.221 0.000 0.899 24 L HN 0.363 nan 8.230 nan 0.000 0.433 25 A N 0.100 122.976 122.820 0.093 0.000 1.902 25 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 25 A C 2.392 180.001 177.584 0.040 0.000 1.181 25 A CA 2.323 54.405 52.037 0.075 0.000 0.623 25 A CB -0.933 18.106 19.000 0.064 0.000 0.818 25 A HN 0.405 nan 8.150 nan 0.000 0.443 26 T N 0.475 115.042 114.554 0.020 0.000 2.746 26 T HA -0.032 4.317 4.350 -0.000 0.000 0.267 26 T C 2.200 176.875 174.700 -0.042 0.000 1.039 26 T CA 1.580 63.680 62.100 -0.001 0.000 1.142 26 T CB -0.489 68.383 68.868 0.006 0.000 0.866 26 T HN 0.603 nan 8.240 nan 0.000 0.444 27 A N 1.711 124.464 122.820 -0.111 0.000 1.877 27 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 27 A C 2.706 180.141 177.584 -0.248 0.000 1.186 27 A CA 1.876 53.741 52.037 -0.287 0.000 0.620 27 A CB -1.256 17.322 19.000 -0.704 0.000 0.822 27 A HN 0.515 nan 8.150 nan 0.000 0.443 28 A N -0.530 122.257 122.820 -0.056 0.000 1.978 28 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 28 A C 2.126 179.696 177.584 -0.023 0.000 1.170 28 A CA 1.905 53.998 52.037 0.093 0.000 0.636 28 A CB -0.386 18.721 19.000 0.180 0.000 0.810 28 A HN 0.570 nan 8.150 nan 0.000 0.448 29 K N -0.724 119.660 120.400 -0.027 0.000 2.007 29 K HA 0.023 4.343 4.320 -0.000 0.000 0.206 29 K C 1.759 178.333 176.600 -0.044 0.000 1.047 29 K CA 1.326 57.597 56.287 -0.026 0.000 0.937 29 K CB -0.371 32.127 32.500 -0.004 0.000 0.718 29 K HN 0.404 nan 8.250 nan 0.000 0.438 30 L N 1.455 122.657 121.223 -0.035 0.000 2.265 30 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 30 L C 2.408 179.237 176.870 -0.068 0.000 1.117 30 L CA 1.201 56.045 54.840 0.007 0.000 0.782 30 L CB -0.242 41.862 42.059 0.075 0.000 0.914 30 L HN 0.131 nan 8.230 nan 0.000 0.441 31 K N 0.025 120.237 120.400 -0.314 0.000 2.167 31 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 31 K C 2.100 178.498 176.600 -0.336 0.000 1.052 31 K CA 0.995 56.834 56.287 -0.747 0.000 0.956 31 K CB 0.047 31.998 32.500 -0.914 0.000 0.735 31 K HN 0.277 nan 8.250 nan 0.000 0.451 32 A N 0.771 123.490 122.820 -0.168 0.000 1.903 32 A HA -0.017 4.303 4.320 -0.000 0.000 0.213 32 A C 0.791 178.346 177.584 -0.048 0.000 1.185 32 A CA 0.762 52.749 52.037 -0.084 0.000 0.628 32 A CB -0.033 18.939 19.000 -0.046 0.000 0.830 32 A HN 0.382 nan 8.150 nan 0.000 0.446 33 N N -0.177 118.503 118.700 -0.033 0.000 2.519 33 N HA 0.342 5.082 4.740 -0.000 0.000 0.291 33 N C -3.529 171.989 175.510 0.014 0.000 1.107 33 N CA -1.095 51.953 53.050 -0.004 0.000 0.904 33 N CB 1.959 40.446 38.487 -0.000 0.000 1.500 33 N HN -0.077 nan 8.380 nan 0.000 0.510 34 P HA 0.292 nan 4.420 nan 0.000 0.284 34 P C -0.773 176.555 177.300 0.047 0.000 1.258 34 P CA -0.387 62.748 63.100 0.058 0.000 0.824 34 P CB 0.927 32.676 31.700 0.081 0.000 1.038 35 Q N 1.837 121.668 119.800 0.052 0.000 2.824 35 Q HA 0.202 4.542 4.340 -0.000 0.000 0.371 35 Q C -1.912 174.112 176.000 0.040 0.000 1.071 35 Q CA -1.419 54.409 55.803 0.042 0.000 1.064 35 Q CB 0.471 29.234 28.738 0.042 0.000 1.332 35 Q HN 0.348 nan 8.270 nan 0.000 0.445 36 P HA -0.086 nan 4.420 nan 0.000 0.236 36 P C -0.071 177.244 177.300 0.026 0.000 1.172 36 P CA 1.075 64.195 63.100 0.034 0.000 0.759 36 P CB 0.386 32.104 31.700 0.031 0.000 0.843 37 E N -2.589 117.625 120.200 0.023 0.000 3.083 37 E HA 0.159 4.509 4.350 -0.000 0.000 0.168 37 E C 0.896 177.509 176.600 0.021 0.000 0.934 37 E CA -0.107 56.301 56.400 0.012 0.000 1.361 37 E CB -0.439 29.267 29.700 0.009 0.000 1.032 37 E HN 0.054 nan 8.360 nan 0.000 0.447 38 L N 0.345 121.585 121.223 0.029 0.000 2.083 38 L HA -0.019 4.321 4.340 -0.000 0.000 0.209 38 L C 1.144 178.039 176.870 0.041 0.000 1.083 38 L CA 1.371 56.233 54.840 0.036 0.000 0.752 38 L CB 0.237 42.320 42.059 0.039 0.000 0.899 38 L HN 0.312 nan 8.230 nan 0.000 0.433 39 L N -0.287 120.956 121.223 0.033 0.000 2.872 39 L HA 0.111 4.451 4.340 -0.000 0.000 0.245 39 L C 0.590 177.467 176.870 0.011 0.000 1.211 39 L CA -0.224 54.637 54.840 0.034 0.000 1.013 39 L CB 0.058 42.137 42.059 0.034 0.000 1.326 39 L HN 0.081 nan 8.230 nan 0.000 0.525 40 K N 0.893 121.285 120.400 -0.013 0.000 2.491 40 K HA -0.113 4.207 4.320 -0.000 0.000 0.279 40 K C 0.084 176.608 176.600 -0.126 0.000 1.026 40 K CA 0.746 56.963 56.287 -0.117 0.000 1.070 40 K CB 0.074 32.517 32.500 -0.096 0.000 0.887 40 K HN 0.354 nan 8.250 nan 0.000 0.481 41 H N 0.306 119.397 119.070 0.035 0.000 3.636 41 H HA -0.131 4.425 4.556 -0.000 0.000 0.179 41 H C -0.596 174.753 175.328 0.035 0.000 0.968 41 H CA 1.218 57.286 56.048 0.033 0.000 1.220 41 H CB -0.571 29.209 29.762 0.030 0.000 1.023 41 H HN 0.534 nan 8.280 nan 0.000 0.366 42 K N 1.550 121.994 120.400 0.073 0.000 2.205 42 K HA 0.519 4.839 4.320 -0.000 0.000 0.279 42 K C -0.049 176.578 176.600 0.044 0.000 1.027 42 K CA -0.405 55.921 56.287 0.065 0.000 0.932 42 K CB 2.298 34.830 32.500 0.053 0.000 1.032 42 K HN -0.056 nan 8.250 nan 0.000 0.466 43 V N 4.975 124.917 119.914 0.047 0.000 2.495 43 V HA 0.480 4.599 4.120 -0.000 0.000 0.298 43 V C 0.052 176.163 176.094 0.028 0.000 1.031 43 V CA -0.830 61.492 62.300 0.037 0.000 0.871 43 V CB 1.489 33.343 31.823 0.051 0.000 0.988 43 V HN 0.590 nan 8.190 nan 0.000 0.432 44 I N 3.223 123.796 120.570 0.004 0.000 2.509 44 I HA 0.687 4.857 4.170 -0.000 0.000 0.293 44 I C 0.277 176.372 176.117 -0.036 0.000 1.020 44 I CA -0.848 60.440 61.300 -0.019 0.000 1.088 44 I CB 2.098 40.076 38.000 -0.038 0.000 1.267 44 I HN 0.657 nan 8.210 nan 0.000 0.430 45 A N 3.916 126.704 122.820 -0.052 0.000 2.302 45 A HA 0.406 4.726 4.320 -0.000 0.000 0.295 45 A C 0.058 177.554 177.584 -0.148 0.000 1.235 45 A CA -0.181 51.804 52.037 -0.086 0.000 0.876 45 A CB 0.548 19.503 19.000 -0.076 0.000 1.133 45 A HN 0.627 nan 8.150 nan 0.000 0.533 46 S N 2.208 117.818 115.700 -0.150 0.000 2.415 46 S HA 0.346 4.816 4.470 -0.000 0.000 0.313 46 S C -0.532 173.901 174.600 -0.279 0.000 1.067 46 S CA -0.430 57.717 58.200 -0.088 0.000 1.099 46 S CB -0.601 62.596 63.200 -0.005 0.000 0.991 46 S HN 0.702 nan 8.310 nan 0.000 0.491 47 C N 6.660 125.669 119.300 -0.485 0.000 2.206 47 C HA 0.511 4.971 4.460 -0.000 0.000 0.324 47 C C -0.612 173.893 174.990 -0.808 0.000 1.120 47 C CA -0.790 57.657 59.018 -0.953 0.000 1.546 47 C CB -1.662 25.686 27.740 -0.653 0.000 2.023 47 C HN 0.808 nan 8.230 nan 0.000 0.448 48 F N 2.599 122.227 119.950 -0.537 0.000 2.347 48 F HA 0.387 4.914 4.527 -0.000 0.000 0.366 48 F C 0.492 176.305 175.800 0.022 0.000 1.107 48 F CA -0.800 57.123 58.000 -0.128 0.000 1.058 48 F CB 0.541 39.495 39.000 -0.076 0.000 1.236 48 F HN 0.541 nan 8.300 nan 0.000 0.456 49 F N 1.008 121.066 119.950 0.181 0.000 2.732 49 F HA 0.204 4.731 4.527 -0.000 0.000 0.303 49 F C 0.666 176.484 175.800 0.029 0.000 1.110 49 F CA 0.092 58.183 58.000 0.152 0.000 1.355 49 F CB 0.258 39.317 39.000 0.098 0.000 1.081 49 F HN 0.360 nan 8.300 nan 0.000 0.565 50 E N 0.237 120.576 120.200 0.231 0.000 2.363 50 E HA 0.561 4.911 4.350 -0.000 0.000 0.281 50 E C -0.955 175.768 176.600 0.205 0.000 0.953 50 E CA -0.950 55.542 56.400 0.154 0.000 0.778 50 E CB 1.725 31.478 29.700 0.089 0.000 1.220 50 E HN -0.025 nan 8.360 nan 0.000 0.431 51 A N 2.095 124.998 122.820 0.138 0.000 2.587 51 A HA 0.338 4.658 4.320 -0.000 0.000 0.233 51 A C -0.073 177.596 177.584 0.141 0.000 1.049 51 A CA 0.943 53.054 52.037 0.122 0.000 0.754 51 A CB 0.378 19.422 19.000 0.073 0.000 0.977 51 A HN 0.348 nan 8.150 nan 0.000 0.509 52 S N 0.436 116.188 115.700 0.086 0.000 2.535 52 S HA 0.621 5.091 4.470 -0.000 0.000 0.272 52 S C 0.433 175.011 174.600 -0.037 0.000 1.149 52 S CA 0.088 58.313 58.200 0.041 0.000 0.888 52 S CB 1.460 64.671 63.200 0.017 0.000 1.110 52 S HN 0.832 nan 8.310 nan 0.000 0.463 53 T N 3.262 117.812 114.554 -0.007 0.000 3.478 53 T HA 0.219 4.569 4.350 -0.000 0.000 0.223 53 T C 1.738 176.425 174.700 -0.022 0.000 0.958 53 T CA -0.019 62.067 62.100 -0.023 0.000 1.324 53 T CB -0.382 68.490 68.868 0.007 0.000 1.262 53 T HN 0.515 nan 8.240 nan 0.000 0.379 54 R N 1.065 121.582 120.500 0.029 0.000 2.097 54 R HA -0.096 4.244 4.340 -0.000 0.000 0.236 54 R C 2.647 178.981 176.300 0.055 0.000 1.135 54 R CA 2.220 58.346 56.100 0.043 0.000 0.934 54 R CB -0.880 29.470 30.300 0.084 0.000 0.846 54 R HN 0.295 nan 8.270 nan 0.000 0.431 55 T N 0.278 114.912 114.554 0.133 0.000 2.788 55 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 55 T C 1.755 176.564 174.700 0.182 0.000 1.044 55 T CA 1.506 63.761 62.100 0.260 0.000 1.139 55 T CB -0.171 69.000 68.868 0.504 0.000 0.867 55 T HN 0.298 nan 8.240 nan 0.000 0.454 56 R N 0.505 120.865 120.500 -0.233 0.000 2.055 56 R HA 0.098 4.438 4.340 -0.000 0.000 0.226 56 R C 2.409 178.589 176.300 -0.200 0.000 1.135 56 R CA 0.919 56.652 56.100 -0.613 0.000 0.959 56 R CB -0.350 29.206 30.300 -1.241 0.000 0.854 56 R HN 0.326 nan 8.270 nan 0.000 0.431 57 L N 1.087 122.226 121.223 -0.140 0.000 2.046 57 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 57 L C 2.737 179.595 176.870 -0.020 0.000 1.077 57 L CA 1.559 56.360 54.840 -0.064 0.000 0.747 57 L CB -0.556 41.469 42.059 -0.057 0.000 0.896 57 L HN 0.391 nan 8.230 nan 0.000 0.432 58 S N -0.053 115.638 115.700 -0.015 0.000 2.353 58 S HA -0.245 4.225 4.470 -0.000 0.000 0.222 58 S C 1.985 176.577 174.600 -0.012 0.000 1.035 58 S CA 1.149 59.320 58.200 -0.049 0.000 1.025 58 S CB -1.117 62.025 63.200 -0.098 0.000 0.902 58 S HN 0.301 nan 8.310 nan 0.000 0.440 59 F N 2.026 121.956 119.950 -0.034 0.000 2.126 59 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 59 F C 3.130 178.894 175.800 -0.060 0.000 1.096 59 F CA 1.732 59.722 58.000 -0.015 0.000 1.255 59 F CB -0.216 38.820 39.000 0.060 0.000 0.997 59 F HN 0.281 nan 8.300 nan 0.000 0.479 60 Q N -0.857 119.019 119.800 0.128 0.000 2.123 60 Q HA -0.146 4.194 4.340 -0.000 0.000 0.199 60 Q C 2.071 178.043 176.000 -0.046 0.000 0.966 60 Q CA 1.893 57.688 55.803 -0.013 0.000 0.845 60 Q CB -0.101 28.633 28.738 -0.008 0.000 0.907 60 Q HN 0.301 nan 8.270 nan 0.000 0.439 61 T N -0.024 114.548 114.554 0.030 0.000 2.770 61 T HA -0.094 4.256 4.350 -0.000 0.000 0.263 61 T C 2.009 176.714 174.700 0.008 0.000 1.039 61 T CA 1.208 63.343 62.100 0.060 0.000 1.142 61 T CB -0.193 68.681 68.868 0.010 0.000 0.868 61 T HN 0.185 nan 8.240 nan 0.000 0.435 62 S N 1.716 117.397 115.700 -0.032 0.000 2.368 62 S HA -0.193 4.276 4.470 -0.000 0.000 0.226 62 S C 2.108 176.701 174.600 -0.011 0.000 1.044 62 S CA 1.573 59.750 58.200 -0.037 0.000 1.062 62 S CB -0.525 62.651 63.200 -0.040 0.000 0.931 62 S HN 0.410 nan 8.310 nan 0.000 0.440 63 M N 0.136 119.714 119.600 -0.037 0.000 2.106 63 M HA -0.199 4.281 4.480 -0.000 0.000 0.259 63 M C 2.070 178.290 176.300 -0.132 0.000 1.068 63 M CA 1.760 56.999 55.300 -0.102 0.000 1.100 63 M CB -0.512 31.956 32.600 -0.220 0.000 1.351 63 M HN 0.437 nan 8.290 nan 0.000 0.404 64 H N -0.849 118.230 119.070 0.016 0.000 2.372 64 H HA 0.045 4.600 4.556 -0.000 0.000 0.301 64 H C 2.004 177.333 175.328 0.002 0.000 1.065 64 H CA 0.820 56.870 56.048 0.003 0.000 1.364 64 H CB 0.172 29.931 29.762 -0.005 0.000 1.406 64 H HN 0.239 nan 8.280 nan 0.000 0.521 65 R N 0.552 121.113 120.500 0.101 0.000 2.285 65 R HA -0.041 4.299 4.340 -0.000 0.000 0.213 65 R C 1.026 177.357 176.300 0.052 0.000 1.068 65 R CA 0.721 56.859 56.100 0.065 0.000 1.004 65 R CB 0.042 30.366 30.300 0.040 0.000 0.873 65 R HN 0.378 nan 8.270 nan 0.000 0.467 66 L N -0.329 120.920 121.223 0.043 0.000 2.667 66 L HA 0.245 4.585 4.340 -0.000 0.000 0.232 66 L C 0.936 177.823 176.870 0.029 0.000 1.138 66 L CA 0.113 54.975 54.840 0.037 0.000 0.921 66 L CB 0.444 42.524 42.059 0.035 0.000 1.180 66 L HN 0.331 nan 8.230 nan 0.000 0.487 67 G N 0.586 109.407 108.800 0.035 0.000 2.148 67 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 67 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 67 G C 0.407 175.310 174.900 0.006 0.000 0.981 67 G CA 0.234 45.346 45.100 0.019 0.000 0.670 67 G HN 0.503 nan 8.290 nan 0.000 0.528 68 A N -0.602 122.221 122.820 0.005 0.000 2.257 68 A HA 0.849 5.169 4.320 -0.000 0.000 0.289 68 A C 0.665 178.244 177.584 -0.008 0.000 1.095 68 A CA 0.727 52.758 52.037 -0.010 0.000 0.836 68 A CB 1.094 20.082 19.000 -0.020 0.000 1.111 68 A HN 1.076 nan 8.150 nan 0.000 0.497 69 S N -1.158 114.541 115.700 -0.002 0.000 2.501 69 S HA 0.607 5.077 4.470 -0.000 0.000 0.301 69 S C -0.635 173.959 174.600 -0.009 0.000 1.096 69 S CA -0.465 57.750 58.200 0.024 0.000 1.063 69 S CB 1.076 64.298 63.200 0.036 0.000 1.042 69 S HN 0.635 nan 8.310 nan 0.000 0.494 70 V N 4.004 123.922 119.914 0.007 0.000 2.581 70 V HA 0.732 4.852 4.120 -0.000 0.000 0.303 70 V C -0.400 175.703 176.094 0.015 0.000 1.041 70 V CA -0.709 61.579 62.300 -0.020 0.000 0.907 70 V CB 1.522 33.313 31.823 -0.053 0.000 0.994 70 V HN 0.729 nan 8.190 nan 0.000 0.442 71 V N 0.728 120.642 119.914 0.000 0.000 2.876 71 V HA 1.130 5.250 4.120 -0.000 0.000 0.312 71 V C 0.136 176.215 176.094 -0.026 0.000 1.085 71 V CA 0.202 62.510 62.300 0.013 0.000 0.945 71 V CB 1.165 33.014 31.823 0.042 0.000 1.017 71 V HN 1.280 nan 8.190 nan 0.000 0.428 72 G N 1.996 110.781 108.800 -0.025 0.000 2.441 72 G HA2 0.695 4.655 3.960 -0.000 0.000 0.225 72 G HA3 0.695 4.655 3.960 -0.000 0.000 0.225 72 G C -1.534 173.328 174.900 -0.064 0.000 1.200 72 G CA 0.111 45.115 45.100 -0.160 0.000 0.947 72 G HN 1.783 nan 8.290 nan 0.000 0.484 73 F N -2.317 117.615 119.950 -0.030 0.000 2.713 73 F HA 0.791 5.318 4.527 -0.000 0.000 0.311 73 F C 0.466 176.259 175.800 -0.012 0.000 1.141 73 F CA -0.474 57.498 58.000 -0.047 0.000 0.939 73 F CB 1.366 40.301 39.000 -0.108 0.000 1.325 73 F HN 0.304 nan 8.300 nan 0.000 0.453 74 S N -0.768 115.078 115.700 0.243 0.000 2.512 74 S HA 0.205 4.675 4.470 -0.000 0.000 0.216 74 S C -0.936 173.795 174.600 0.219 0.000 1.006 74 S CA 0.345 58.648 58.200 0.170 0.000 0.915 74 S CB -0.271 62.977 63.200 0.081 0.000 0.824 74 S HN 0.774 nan 8.310 nan 0.000 0.497 75 D N -0.327 120.224 120.400 0.252 0.000 2.717 75 D HA 0.194 4.834 4.640 -0.000 0.000 0.223 75 D C 0.251 176.540 176.300 -0.019 0.000 1.240 75 D CA -0.576 53.513 54.000 0.149 0.000 0.801 75 D CB 0.701 41.547 40.800 0.077 0.000 1.556 75 D HN -0.064 nan 8.370 nan 0.000 0.462 76 S N 0.023 115.684 115.700 -0.065 0.000 2.547 76 S HA 0.024 4.494 4.470 -0.000 0.000 0.235 76 S C 1.899 176.416 174.600 -0.137 0.000 0.980 76 S CA 0.518 58.597 58.200 -0.202 0.000 0.941 76 S CB -0.430 62.875 63.200 0.174 0.000 0.763 76 S HN 0.691 nan 8.310 nan 0.000 0.532 77 A N 2.919 125.699 122.820 -0.066 0.000 1.940 77 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 77 A C 2.132 179.680 177.584 -0.060 0.000 1.176 77 A CA 1.644 53.656 52.037 -0.041 0.000 0.631 77 A CB -0.561 18.431 19.000 -0.014 0.000 0.814 77 A HN 0.542 nan 8.150 nan 0.000 0.446 78 N N -0.646 118.000 118.700 -0.091 0.000 2.392 78 N HA 0.002 4.742 4.740 -0.000 0.000 0.177 78 N C 1.013 176.452 175.510 -0.119 0.000 1.066 78 N CA 0.984 53.986 53.050 -0.081 0.000 0.895 78 N CB -0.135 38.322 38.487 -0.051 0.000 0.988 78 N HN 0.696 nan 8.380 nan 0.000 0.457 79 T N -2.209 112.215 114.554 -0.217 0.000 2.729 79 T HA 0.195 4.545 4.350 -0.000 0.000 0.298 79 T C 1.223 175.853 174.700 -0.116 0.000 1.013 79 T CA -0.293 61.663 62.100 -0.241 0.000 0.957 79 T CB 0.825 69.414 68.868 -0.466 0.000 1.130 79 T HN -0.167 nan 8.240 nan 0.000 0.526 80 S N -0.054 115.601 115.700 -0.075 0.000 2.575 80 S HA 0.149 4.619 4.470 -0.000 0.000 0.215 80 S C 1.563 176.144 174.600 -0.032 0.000 0.966 80 S CA -0.243 57.934 58.200 -0.038 0.000 0.911 80 S CB -0.617 62.574 63.200 -0.015 0.000 0.780 80 S HN 0.616 nan 8.310 nan 0.000 0.514 81 L N 1.321 122.523 121.223 -0.035 0.000 2.068 81 L HA 0.183 4.523 4.340 -0.000 0.000 0.204 81 L C 2.012 178.873 176.870 -0.015 0.000 1.076 81 L CA 1.351 56.187 54.840 -0.008 0.000 0.753 81 L CB -0.638 41.454 42.059 0.055 0.000 0.910 81 L HN 0.343 nan 8.230 nan 0.000 0.439 82 G N -1.140 107.644 108.800 -0.028 0.000 2.813 82 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.209 82 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.209 82 G C 1.397 176.280 174.900 -0.029 0.000 1.150 82 G CA 0.110 45.196 45.100 -0.025 0.000 0.785 82 G HN 0.203 nan 8.290 nan 0.000 0.535 83 K N -0.237 120.143 120.400 -0.033 0.000 2.585 83 K HA 0.154 4.474 4.320 -0.000 0.000 0.198 83 K C 1.665 178.252 176.600 -0.021 0.000 1.403 83 K CA 0.185 56.457 56.287 -0.026 0.000 1.021 83 K CB 0.233 32.717 32.500 -0.027 0.000 1.558 83 K HN 0.096 nan 8.250 nan 0.000 0.524 84 K N 0.727 121.114 120.400 -0.022 0.000 2.444 84 K HA 0.113 4.433 4.320 -0.000 0.000 0.193 84 K C 0.449 177.038 176.600 -0.018 0.000 1.024 84 K CA 0.582 56.858 56.287 -0.017 0.000 1.077 84 K CB 0.498 32.989 32.500 -0.014 0.000 0.833 84 K HN 0.385 nan 8.250 nan 0.000 0.517 85 G N 3.270 112.057 108.800 -0.021 0.000 2.225 85 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 85 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 85 G C -0.252 174.631 174.900 -0.029 0.000 1.060 85 G CA 0.402 45.487 45.100 -0.024 0.000 0.833 85 G HN 0.580 nan 8.290 nan 0.000 0.498 86 E N 0.068 120.251 120.200 -0.029 0.000 2.345 86 E HA 0.597 4.947 4.350 -0.000 0.000 0.259 86 E C 0.834 177.400 176.600 -0.056 0.000 1.117 86 E CA -0.181 56.196 56.400 -0.039 0.000 0.913 86 E CB 0.623 30.305 29.700 -0.031 0.000 1.057 86 E HN 0.458 nan 8.360 nan 0.000 0.432 87 T N -0.189 114.313 114.554 -0.086 0.000 2.828 87 T HA 0.049 4.399 4.350 -0.000 0.000 0.290 87 T C 0.998 175.616 174.700 -0.136 0.000 1.019 87 T CA -0.770 61.257 62.100 -0.123 0.000 1.031 87 T CB 0.888 69.653 68.868 -0.172 0.000 1.001 87 T HN 0.509 nan 8.240 nan 0.000 0.531 88 L N 1.577 122.697 121.223 -0.173 0.000 2.083 88 L HA 0.121 4.461 4.340 -0.000 0.000 0.209 88 L C 2.726 179.462 176.870 -0.223 0.000 1.083 88 L CA 2.232 56.957 54.840 -0.192 0.000 0.752 88 L CB -1.627 40.257 42.059 -0.293 0.000 0.899 88 L HN 0.931 nan 8.230 nan 0.000 0.433 89 A N -0.783 121.811 122.820 -0.377 0.000 1.908 89 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 89 A C 2.005 179.311 177.584 -0.464 0.000 1.181 89 A CA 2.122 53.730 52.037 -0.715 0.000 0.627 89 A CB -0.863 17.384 19.000 -1.255 0.000 0.818 89 A HN 0.522 nan 8.150 nan 0.000 0.445 90 D N -1.258 118.969 120.400 -0.288 0.000 2.149 90 D HA -0.031 4.609 4.640 -0.000 0.000 0.201 90 D C 2.061 178.315 176.300 -0.076 0.000 0.972 90 D CA 1.543 55.455 54.000 -0.148 0.000 0.835 90 D CB -0.416 40.318 40.800 -0.109 0.000 0.966 90 D HN 0.374 nan 8.370 nan 0.000 0.476 91 T N 0.951 115.474 114.554 -0.052 0.000 2.708 91 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 91 T C 1.905 176.621 174.700 0.028 0.000 1.037 91 T CA 0.561 62.676 62.100 0.026 0.000 1.146 91 T CB -0.028 68.906 68.868 0.110 0.000 0.865 91 T HN 0.091 nan 8.240 nan 0.000 0.435 92 I N 1.375 121.954 120.570 0.016 0.000 2.252 92 I HA -0.097 4.073 4.170 -0.000 0.000 0.245 92 I C 2.625 178.749 176.117 0.011 0.000 1.102 92 I CA 1.015 62.334 61.300 0.032 0.000 1.385 92 I CB -1.324 36.705 38.000 0.047 0.000 1.064 92 I HN 0.201 nan 8.210 nan 0.000 0.414 93 S N 1.419 117.134 115.700 0.026 0.000 2.369 93 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 93 S C 2.145 176.696 174.600 -0.081 0.000 1.043 93 S CA 2.180 60.392 58.200 0.019 0.000 1.074 93 S CB -0.764 62.459 63.200 0.038 0.000 0.962 93 S HN 0.484 nan 8.310 nan 0.000 0.433 94 V N 0.136 119.975 119.914 -0.126 0.000 2.548 94 V HA 0.020 4.140 4.120 -0.000 0.000 0.249 94 V C 1.889 177.601 176.094 -0.636 0.000 1.055 94 V CA 1.320 63.450 62.300 -0.284 0.000 1.065 94 V CB -0.917 30.792 31.823 -0.189 0.000 0.681 94 V HN 0.445 nan 8.190 nan 0.000 0.462 95 I N 2.305 122.638 120.570 -0.396 0.000 2.493 95 I HA -0.149 4.021 4.170 -0.000 0.000 0.254 95 I C 2.607 178.554 176.117 -0.284 0.000 1.160 95 I CA 1.680 62.747 61.300 -0.388 0.000 1.445 95 I CB -0.240 37.716 38.000 -0.073 0.000 1.086 95 I HN 0.553 nan 8.210 nan 0.000 0.433 96 S N -0.685 114.907 115.700 -0.180 0.000 2.607 96 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 96 S C 1.722 176.261 174.600 -0.101 0.000 0.969 96 S CA 0.820 58.965 58.200 -0.091 0.000 0.927 96 S CB -0.812 62.367 63.200 -0.034 0.000 0.772 96 S HN 0.544 nan 8.310 nan 0.000 0.533 97 T N -2.418 112.009 114.554 -0.211 0.000 3.107 97 T HA 0.246 4.596 4.350 -0.000 0.000 0.249 97 T C 0.874 175.637 174.700 0.104 0.000 1.096 97 T CA -0.128 61.931 62.100 -0.069 0.000 1.012 97 T CB -0.387 68.442 68.868 -0.065 0.000 0.977 97 T HN 0.407 nan 8.240 nan 0.000 0.527 98 Y N 1.212 121.531 120.300 0.032 0.000 2.607 98 Y HA 0.474 5.024 4.550 -0.000 0.000 0.276 98 Y C 1.224 177.139 175.900 0.026 0.000 1.117 98 Y CA -1.136 56.982 58.100 0.030 0.000 1.273 98 Y CB -0.064 38.415 38.460 0.031 0.000 1.282 98 Y HN 0.301 nan 8.280 nan 0.000 0.514 99 V N -2.575 117.437 119.914 0.164 0.000 3.181 99 V HA 0.563 4.683 4.120 -0.000 0.000 0.314 99 V C 0.234 176.364 176.094 0.059 0.000 1.173 99 V CA -0.681 61.678 62.300 0.099 0.000 1.052 99 V CB 2.103 33.969 31.823 0.072 0.000 1.123 99 V HN -0.124 nan 8.190 nan 0.000 0.454 100 D N 0.647 121.075 120.400 0.045 0.000 2.338 100 D HA 0.529 5.169 4.640 -0.000 0.000 0.208 100 D C 0.564 176.875 176.300 0.019 0.000 0.997 100 D CA 1.568 55.590 54.000 0.036 0.000 0.880 100 D CB 1.036 41.863 40.800 0.045 0.000 0.980 100 D HN 1.029 nan 8.370 nan 0.000 0.509 101 A N 0.057 122.882 122.820 0.009 0.000 2.589 101 A HA 0.627 4.947 4.320 -0.000 0.000 0.296 101 A C -1.482 176.081 177.584 -0.034 0.000 1.062 101 A CA -0.611 51.423 52.037 -0.004 0.000 0.686 101 A CB 1.077 20.077 19.000 -0.000 0.000 1.282 101 A HN -0.004 nan 8.150 nan 0.000 0.404 102 I N 1.520 122.061 120.570 -0.049 0.000 2.378 102 I HA 0.429 4.599 4.170 -0.000 0.000 0.291 102 I C -0.677 175.348 176.117 -0.153 0.000 0.992 102 I CA -0.946 60.299 61.300 -0.092 0.000 1.154 102 I CB 1.896 39.856 38.000 -0.066 0.000 1.315 102 I HN 0.311 nan 8.210 nan 0.000 0.448 103 V N 7.797 127.566 119.914 -0.242 0.000 2.350 103 V HA 0.483 4.603 4.120 -0.000 0.000 0.276 103 V C 0.029 175.890 176.094 -0.389 0.000 1.028 103 V CA -0.346 61.728 62.300 -0.377 0.000 0.860 103 V CB 1.242 32.703 31.823 -0.603 0.000 0.990 103 V HN 0.727 nan 8.190 nan 0.000 0.453 104 M N 4.241 123.634 119.600 -0.345 0.000 2.446 104 M HA 0.808 5.288 4.480 -0.000 0.000 0.294 104 M C -0.896 175.166 176.300 -0.397 0.000 1.158 104 M CA -0.908 54.144 55.300 -0.414 0.000 0.899 104 M CB 2.391 34.924 32.600 -0.111 0.000 1.687 104 M HN 0.350 nan 8.290 nan 0.000 0.455 105 R N 0.848 120.985 120.500 -0.604 0.000 2.540 105 R HA 0.650 4.990 4.340 -0.000 0.000 0.287 105 R C -1.593 174.762 176.300 0.090 0.000 0.980 105 R CA -0.085 55.847 56.100 -0.279 0.000 0.966 105 R CB 0.984 31.122 30.300 -0.271 0.000 1.106 105 R HN 0.850 nan 8.270 nan 0.000 0.480 106 H N 4.619 123.692 119.070 0.005 0.000 3.151 106 H HA 0.165 4.721 4.556 -0.000 0.000 0.333 106 H C -2.418 172.908 175.328 -0.003 0.000 1.093 106 H CA -1.367 54.696 56.048 0.026 0.000 1.342 106 H CB 2.627 32.347 29.762 -0.071 0.000 1.983 106 H HN 0.501 nan 8.280 nan 0.000 0.503 107 P HA -0.112 nan 4.420 nan 0.000 0.217 107 P C 0.025 177.324 177.300 -0.002 0.000 1.151 107 P CA 0.822 63.830 63.100 -0.153 0.000 0.828 107 P CB 0.982 32.551 31.700 -0.218 0.000 0.788 108 Q N 0.703 120.592 119.800 0.149 0.000 2.293 108 Q HA 0.175 4.515 4.340 -0.000 0.000 0.251 108 Q C -0.292 175.797 176.000 0.148 0.000 0.930 108 Q CA -0.002 55.900 55.803 0.164 0.000 0.893 108 Q CB 0.339 29.169 28.738 0.153 0.000 1.215 108 Q HN 0.060 nan 8.270 nan 0.000 0.425 109 E N 0.564 120.810 120.200 0.077 0.000 2.324 109 E HA 0.397 4.747 4.350 -0.000 0.000 0.271 109 E C 0.574 177.175 176.600 0.003 0.000 1.028 109 E CA 0.913 57.341 56.400 0.047 0.000 0.890 109 E CB 0.545 30.272 29.700 0.046 0.000 1.004 109 E HN 0.768 nan 8.360 nan 0.000 0.431 110 G N 2.120 110.911 108.800 -0.016 0.000 2.134 110 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.209 110 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.209 110 G C 0.978 175.818 174.900 -0.101 0.000 0.993 110 G CA 0.244 45.314 45.100 -0.050 0.000 0.669 110 G HN 0.639 nan 8.290 nan 0.000 0.519 111 A N 0.107 122.833 122.820 -0.157 0.000 1.930 111 A HA 0.434 4.754 4.320 -0.000 0.000 0.217 111 A C 2.811 180.253 177.584 -0.237 0.000 1.175 111 A CA 2.553 54.394 52.037 -0.327 0.000 0.627 111 A CB -0.768 17.802 19.000 -0.717 0.000 0.815 111 A HN 1.854 nan 8.150 nan 0.000 0.443 112 A N 0.120 122.845 122.820 -0.158 0.000 1.849 112 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 112 A C 2.209 179.719 177.584 -0.124 0.000 1.202 112 A CA 2.224 54.190 52.037 -0.118 0.000 0.629 112 A CB -0.601 18.358 19.000 -0.070 0.000 0.834 112 A HN 0.497 nan 8.150 nan 0.000 0.447 113 R N -0.672 119.770 120.500 -0.097 0.000 2.091 113 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 113 R C 2.145 178.397 176.300 -0.081 0.000 1.136 113 R CA 1.587 57.633 56.100 -0.089 0.000 0.959 113 R CB -0.462 29.800 30.300 -0.062 0.000 0.856 113 R HN 0.510 nan 8.270 nan 0.000 0.437 114 L N 0.281 121.465 121.223 -0.064 0.000 2.012 114 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 114 L C 2.041 178.945 176.870 0.057 0.000 1.073 114 L CA 2.465 57.308 54.840 0.004 0.000 0.748 114 L CB -1.467 40.564 42.059 -0.047 0.000 0.891 114 L HN 0.355 nan 8.230 nan 0.000 0.431 115 A N -0.164 122.635 122.820 -0.035 0.000 1.908 115 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 115 A C 2.344 179.895 177.584 -0.054 0.000 1.181 115 A CA 2.843 54.868 52.037 -0.019 0.000 0.627 115 A CB -1.254 17.695 19.000 -0.085 0.000 0.818 115 A HN 0.688 nan 8.150 nan 0.000 0.445 116 T N -1.554 112.885 114.554 -0.192 0.000 2.833 116 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 116 T C 1.357 175.963 174.700 -0.157 0.000 1.054 116 T CA 1.610 63.521 62.100 -0.314 0.000 1.135 116 T CB -0.538 68.006 68.868 -0.540 0.000 0.869 116 T HN 0.654 nan 8.240 nan 0.000 0.466 117 E N -0.209 119.888 120.200 -0.172 0.000 2.516 117 E HA 0.100 4.450 4.350 -0.000 0.000 0.199 117 E C 0.377 176.514 176.600 -0.770 0.000 1.069 117 E CA 0.484 56.656 56.400 -0.380 0.000 0.876 117 E CB -0.112 29.354 29.700 -0.390 0.000 0.843 117 E HN 0.666 nan 8.360 nan 0.000 0.530 118 F N -1.103 118.814 119.950 -0.055 0.000 2.856 118 F HA 0.080 4.606 4.527 -0.000 0.000 0.338 118 F C 1.693 177.468 175.800 -0.042 0.000 1.100 118 F CA -0.163 57.809 58.000 -0.047 0.000 1.150 118 F CB 0.899 39.865 39.000 -0.057 0.000 1.101 118 F HN -0.070 nan 8.300 nan 0.000 0.548 119 S N -1.171 114.544 115.700 0.024 0.000 2.575 119 S HA 0.437 4.907 4.470 -0.000 0.000 0.215 119 S C 1.731 176.347 174.600 0.027 0.000 0.966 119 S CA 0.355 58.574 58.200 0.032 0.000 0.911 119 S CB -0.274 62.940 63.200 0.023 0.000 0.780 119 S HN 0.515 nan 8.310 nan 0.000 0.514 120 G N 3.350 112.153 108.800 0.004 0.000 2.646 120 G HA2 -0.462 3.497 3.960 -0.000 0.000 0.324 120 G HA3 -0.462 3.497 3.960 -0.000 0.000 0.324 120 G C 0.639 175.547 174.900 0.013 0.000 1.195 120 G CA 0.749 45.847 45.100 -0.003 0.000 0.976 120 G HN 0.582 nan 8.290 nan 0.000 0.546 121 N N 0.001 118.703 118.700 0.003 0.000 2.424 121 N HA 0.303 5.043 4.740 -0.000 0.000 0.178 121 N C 0.548 176.052 175.510 -0.011 0.000 1.060 121 N CA 0.433 53.473 53.050 -0.017 0.000 0.901 121 N CB 0.519 38.996 38.487 -0.017 0.000 0.979 121 N HN 0.383 nan 8.380 nan 0.000 0.451 122 V N 2.686 122.618 119.914 0.030 0.000 2.555 122 V HA 0.177 4.297 4.120 -0.000 0.000 0.286 122 V C -2.068 174.092 176.094 0.109 0.000 1.044 122 V CA -1.564 60.758 62.300 0.036 0.000 1.026 122 V CB 1.052 32.891 31.823 0.028 0.000 0.981 122 V HN -0.036 nan 8.190 nan 0.000 0.480 123 P HA 0.235 nan 4.420 nan 0.000 0.271 123 P C -0.890 176.514 177.300 0.172 0.000 1.216 123 P CA -0.064 63.143 63.100 0.177 0.000 0.776 123 P CB 0.722 32.445 31.700 0.038 0.000 0.881 124 V N 4.703 124.766 119.914 0.248 0.000 2.448 124 V HA 0.338 4.458 4.120 -0.000 0.000 0.295 124 V C -0.338 175.763 176.094 0.012 0.000 1.025 124 V CA -0.479 61.809 62.300 -0.020 0.000 0.859 124 V CB 1.408 33.082 31.823 -0.249 0.000 0.988 124 V HN 0.280 nan 8.190 nan 0.000 0.431 125 L N 4.317 125.527 121.223 -0.023 0.000 2.343 125 L HA 0.488 4.828 4.340 -0.000 0.000 0.278 125 L C 0.028 176.889 176.870 -0.014 0.000 0.996 125 L CA -0.341 54.510 54.840 0.019 0.000 0.831 125 L CB 1.435 43.521 42.059 0.045 0.000 1.232 125 L HN 0.577 nan 8.230 nan 0.000 0.413 126 N N 2.182 120.908 118.700 0.043 0.000 2.405 126 N HA 0.267 5.007 4.740 -0.000 0.000 0.260 126 N C 0.698 176.296 175.510 0.147 0.000 1.152 126 N CA 0.191 53.268 53.050 0.045 0.000 0.948 126 N CB 1.574 40.087 38.487 0.044 0.000 1.111 126 N HN 0.712 nan 8.380 nan 0.000 0.485 127 A N 2.574 125.439 122.820 0.074 0.000 2.238 127 A HA 0.437 4.757 4.320 -0.000 0.000 0.208 127 A C 0.822 178.430 177.584 0.040 0.000 1.177 127 A CA 0.529 52.684 52.037 0.197 0.000 0.804 127 A CB -0.726 18.305 19.000 0.052 0.000 0.823 127 A HN 0.945 nan 8.150 nan 0.000 0.482 128 G N 0.418 109.193 108.800 -0.041 0.000 2.634 128 G HA2 0.346 4.305 3.960 -0.000 0.000 0.568 128 G HA3 0.346 4.305 3.960 -0.000 0.000 0.568 128 G C -1.608 173.272 174.900 -0.034 0.000 1.495 128 G CA -0.249 44.762 45.100 -0.149 0.000 0.903 128 G HN 0.484 nan 8.290 nan 0.000 0.646 129 D N 1.292 121.699 120.400 0.012 0.000 2.432 129 D HA 0.599 5.239 4.640 -0.000 0.000 0.265 129 D C 1.243 177.585 176.300 0.071 0.000 1.160 129 D CA 0.571 54.604 54.000 0.055 0.000 0.911 129 D CB 0.554 41.379 40.800 0.041 0.000 1.052 129 D HN 1.908 nan 8.370 nan 0.000 0.508 130 G N 2.581 111.419 108.800 0.063 0.000 2.561 130 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.289 130 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.289 130 G C 0.785 175.742 174.900 0.095 0.000 1.169 130 G CA 0.757 45.898 45.100 0.069 0.000 0.980 130 G HN 1.152 nan 8.290 nan 0.000 0.550 131 S N 0.675 116.469 115.700 0.157 0.000 2.557 131 S HA 0.259 4.729 4.470 -0.000 0.000 0.223 131 S C 1.304 176.085 174.600 0.302 0.000 0.969 131 S CA 1.015 59.355 58.200 0.233 0.000 0.927 131 S CB 0.477 63.901 63.200 0.373 0.000 0.806 131 S HN 0.827 nan 8.310 nan 0.000 0.489 132 N N 1.884 120.715 118.700 0.219 0.000 2.174 132 N HA 0.046 4.786 4.740 -0.000 0.000 0.191 132 N C 0.142 175.812 175.510 0.267 0.000 1.059 132 N CA 1.200 54.386 53.050 0.227 0.000 0.889 132 N CB -0.068 38.480 38.487 0.103 0.000 1.069 132 N HN 0.222 nan 8.380 nan 0.000 0.461 133 Q N -0.441 119.460 119.800 0.169 0.000 2.342 133 Q HA 0.223 4.563 4.340 -0.000 0.000 0.267 133 Q C -1.172 174.943 176.000 0.193 0.000 1.038 133 Q CA -0.362 55.545 55.803 0.174 0.000 0.832 133 Q CB 1.599 30.410 28.738 0.122 0.000 1.323 133 Q HN 0.528 nan 8.270 nan 0.000 0.448 134 H N 3.245 122.385 119.070 0.116 0.000 2.490 134 H HA 0.245 4.801 4.556 -0.000 0.000 0.230 134 H C -2.049 173.351 175.328 0.120 0.000 1.417 134 H CA -2.073 54.047 56.048 0.121 0.000 1.449 134 H CB 0.720 30.552 29.762 0.117 0.000 1.649 134 H HN 0.303 nan 8.280 nan 0.000 0.519 135 P HA -0.127 nan 4.420 nan 0.000 0.219 135 P C 1.269 178.640 177.300 0.118 0.000 1.150 135 P CA 1.367 64.562 63.100 0.158 0.000 0.814 135 P CB 0.201 31.991 31.700 0.150 0.000 0.787 136 T N -3.141 111.500 114.554 0.146 0.000 2.995 136 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 136 T C 2.070 176.720 174.700 -0.082 0.000 1.091 136 T CA 0.954 63.087 62.100 0.056 0.000 1.128 136 T CB -0.724 68.238 68.868 0.156 0.000 0.891 136 T HN 0.037 nan 8.240 nan 0.000 0.492 137 Q N 1.800 121.450 119.800 -0.250 0.000 2.020 137 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 137 Q C 2.385 178.346 176.000 -0.066 0.000 0.982 137 Q CA 2.345 57.955 55.803 -0.322 0.000 0.838 137 Q CB -1.196 27.183 28.738 -0.598 0.000 0.899 137 Q HN 0.513 nan 8.270 nan 0.000 0.423 138 T N 1.235 115.777 114.554 -0.021 0.000 2.684 138 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 138 T C 1.749 176.489 174.700 0.066 0.000 1.036 138 T CA 1.514 63.638 62.100 0.040 0.000 1.148 138 T CB -0.359 68.544 68.868 0.058 0.000 0.863 138 T HN 0.219 nan 8.240 nan 0.000 0.436 139 L N 0.719 121.980 121.223 0.063 0.000 1.989 139 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 139 L C 2.544 179.484 176.870 0.118 0.000 1.071 139 L CA 1.378 56.267 54.840 0.082 0.000 0.749 139 L CB -0.793 41.296 42.059 0.049 0.000 0.890 139 L HN 0.335 nan 8.230 nan 0.000 0.431 140 L N -2.117 119.159 121.223 0.088 0.000 2.083 140 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 140 L C 1.905 178.900 176.870 0.209 0.000 1.083 140 L CA 1.759 56.697 54.840 0.163 0.000 0.752 140 L CB -0.941 41.164 42.059 0.076 0.000 0.899 140 L HN 0.109 nan 8.230 nan 0.000 0.433 141 D N 0.556 121.051 120.400 0.157 0.000 2.144 141 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 141 D C 2.379 178.756 176.300 0.128 0.000 0.978 141 D CA 1.687 55.791 54.000 0.173 0.000 0.833 141 D CB -0.192 40.716 40.800 0.181 0.000 0.961 141 D HN 0.439 nan 8.370 nan 0.000 0.470 142 L N -0.201 121.085 121.223 0.104 0.000 2.017 142 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 142 L C 2.451 179.375 176.870 0.091 0.000 1.073 142 L CA 0.828 55.697 54.840 0.048 0.000 0.745 142 L CB -0.473 41.615 42.059 0.048 0.000 0.894 142 L HN -0.021 nan 8.230 nan 0.000 0.432 143 F N 0.806 120.776 119.950 0.034 0.000 2.069 143 F HA -0.306 4.220 4.527 -0.000 0.000 0.298 143 F C 2.540 178.383 175.800 0.072 0.000 1.113 143 F CA 2.139 60.171 58.000 0.054 0.000 1.214 143 F CB -0.118 38.930 39.000 0.079 0.000 0.978 143 F HN -0.033 nan 8.300 nan 0.000 0.474 144 T N 1.051 115.597 114.554 -0.013 0.000 2.821 144 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 144 T C 1.920 176.607 174.700 -0.022 0.000 1.046 144 T CA 1.695 63.794 62.100 -0.000 0.000 1.139 144 T CB -0.371 68.603 68.868 0.177 0.000 0.871 144 T HN 0.242 nan 8.240 nan 0.000 0.454 145 I N 0.791 121.352 120.570 -0.015 0.000 2.252 145 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 145 I C 2.782 178.831 176.117 -0.113 0.000 1.102 145 I CA 1.226 62.493 61.300 -0.054 0.000 1.385 145 I CB -0.312 37.658 38.000 -0.050 0.000 1.064 145 I HN 0.217 nan 8.210 nan 0.000 0.414 146 Q N 0.760 120.483 119.800 -0.128 0.000 2.061 146 Q HA -0.287 4.053 4.340 -0.000 0.000 0.204 146 Q C 2.232 178.134 176.000 -0.163 0.000 0.984 146 Q CA 1.902 57.624 55.803 -0.136 0.000 0.846 146 Q CB -0.062 28.610 28.738 -0.111 0.000 0.902 146 Q HN 0.484 nan 8.270 nan 0.000 0.421 147 Q N -0.884 118.774 119.800 -0.236 0.000 2.135 147 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 147 Q C 2.079 177.977 176.000 -0.170 0.000 0.981 147 Q CA 1.952 57.626 55.803 -0.216 0.000 0.856 147 Q CB -0.072 28.526 28.738 -0.235 0.000 0.902 147 Q HN 0.634 nan 8.270 nan 0.000 0.425 148 T N -1.958 112.479 114.554 -0.195 0.000 3.009 148 T HA 0.030 4.380 4.350 -0.000 0.000 0.258 148 T C 1.494 176.078 174.700 -0.193 0.000 1.063 148 T CA 0.495 62.438 62.100 -0.263 0.000 1.139 148 T CB 0.208 68.841 68.868 -0.393 0.000 0.890 148 T HN 0.035 nan 8.240 nan 0.000 0.471 149 E N 0.815 120.926 120.200 -0.149 0.000 2.473 149 E HA 0.273 4.623 4.350 -0.000 0.000 0.204 149 E C 1.722 178.266 176.600 -0.094 0.000 0.994 149 E CA 0.596 56.927 56.400 -0.116 0.000 0.945 149 E CB 0.175 29.812 29.700 -0.104 0.000 0.990 149 E HN 0.653 nan 8.360 nan 0.000 0.493 150 G N 2.835 111.576 108.800 -0.097 0.000 2.166 150 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 150 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 150 G C 0.309 175.174 174.900 -0.059 0.000 0.986 150 G CA 1.004 46.060 45.100 -0.073 0.000 0.683 150 G HN 0.346 nan 8.290 nan 0.000 0.527 151 R N -1.647 118.809 120.500 -0.074 0.000 2.680 151 R HA 0.668 5.008 4.340 -0.000 0.000 0.269 151 R C -0.243 175.988 176.300 -0.115 0.000 1.026 151 R CA -1.168 54.893 56.100 -0.065 0.000 0.889 151 R CB 0.611 30.881 30.300 -0.050 0.000 1.241 151 R HN 0.165 nan 8.270 nan 0.000 0.463 152 L N 0.632 121.767 121.223 -0.146 0.000 3.014 152 L HA 0.349 4.689 4.340 -0.000 0.000 0.263 152 L C -0.629 176.135 176.870 -0.176 0.000 1.207 152 L CA -0.111 54.536 54.840 -0.323 0.000 1.017 152 L CB 0.332 41.920 42.059 -0.784 0.000 1.360 152 L HN 0.582 nan 8.230 nan 0.000 0.560 153 D N 0.237 120.620 120.400 -0.028 0.000 2.350 153 D HA 0.240 4.880 4.640 -0.000 0.000 0.238 153 D C -0.365 175.902 176.300 -0.055 0.000 0.989 153 D CA -0.655 53.365 54.000 0.032 0.000 0.921 153 D CB 1.309 42.160 40.800 0.084 0.000 1.297 153 D HN 0.033 nan 8.370 nan 0.000 0.490 154 N N 0.418 119.065 118.700 -0.087 0.000 2.584 154 N HA -0.200 4.540 4.740 -0.000 0.000 0.291 154 N C -0.927 174.452 175.510 -0.218 0.000 1.203 154 N CA 0.221 53.178 53.050 -0.156 0.000 0.735 154 N CB -0.878 37.552 38.487 -0.094 0.000 0.936 154 N HN 0.308 nan 8.380 nan 0.000 0.549 155 L N 0.792 121.812 121.223 -0.337 0.000 2.230 155 L HA 0.577 4.917 4.340 -0.000 0.000 0.255 155 L C 0.105 176.604 176.870 -0.617 0.000 1.039 155 L CA -1.018 53.619 54.840 -0.338 0.000 0.846 155 L CB 1.524 43.448 42.059 -0.225 0.000 1.419 155 L HN 0.377 nan 8.230 nan 0.000 0.435 156 H N 0.799 119.833 119.070 -0.060 0.000 2.970 156 H HA 0.405 4.961 4.556 -0.000 0.000 0.315 156 H C -1.372 174.000 175.328 0.073 0.000 0.992 156 H CA -0.361 55.736 56.048 0.082 0.000 1.363 156 H CB 1.955 31.819 29.762 0.169 0.000 1.532 156 H HN 0.108 nan 8.280 nan 0.000 0.514 157 V N 2.495 122.459 119.914 0.084 0.000 2.357 157 V HA 0.482 4.602 4.120 -0.000 0.000 0.284 157 V C 0.327 176.592 176.094 0.285 0.000 1.018 157 V CA -0.783 61.573 62.300 0.094 0.000 0.841 157 V CB 1.340 33.130 31.823 -0.056 0.000 0.991 157 V HN 0.846 nan 8.190 nan 0.000 0.437 158 A N 6.600 129.582 122.820 0.269 0.000 2.260 158 A HA 0.834 5.154 4.320 -0.000 0.000 0.314 158 A C -0.324 177.423 177.584 0.272 0.000 1.257 158 A CA -0.508 51.693 52.037 0.274 0.000 0.871 158 A CB 0.551 19.617 19.000 0.110 0.000 1.166 158 A HN 0.831 nan 8.150 nan 0.000 0.522 159 M N 3.291 123.098 119.600 0.345 0.000 2.088 159 M HA 0.357 4.837 4.480 -0.000 0.000 0.346 159 M C -1.055 175.390 176.300 0.242 0.000 1.111 159 M CA -0.292 55.215 55.300 0.345 0.000 1.017 159 M CB 1.490 34.348 32.600 0.429 0.000 1.568 159 M HN 0.363 nan 8.290 nan 0.000 0.445 160 V N 3.305 123.314 119.914 0.159 0.000 2.409 160 V HA 0.946 5.066 4.120 -0.000 0.000 0.291 160 V C 0.421 176.559 176.094 0.073 0.000 1.020 160 V CA -0.096 62.231 62.300 0.045 0.000 0.848 160 V CB 1.020 32.844 31.823 0.001 0.000 0.990 160 V HN 1.126 nan 8.190 nan 0.000 0.430 161 G N 4.418 113.272 108.800 0.090 0.000 2.249 161 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.089 161 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.089 161 G C -1.249 173.735 174.900 0.139 0.000 1.206 161 G CA -0.188 45.001 45.100 0.149 0.000 1.190 161 G HN 0.597 nan 8.290 nan 0.000 0.454 162 D N 1.681 122.141 120.400 0.099 0.000 2.456 162 D HA 0.530 5.170 4.640 -0.000 0.000 0.219 162 D C 1.528 177.843 176.300 0.025 0.000 1.126 162 D CA -0.383 53.671 54.000 0.090 0.000 0.890 162 D CB 0.501 41.374 40.800 0.123 0.000 1.025 162 D HN 0.305 nan 8.370 nan 0.000 0.511 163 L N 2.993 124.201 121.223 -0.024 0.000 2.375 163 L HA 0.082 4.422 4.340 -0.000 0.000 0.215 163 L C 2.340 179.151 176.870 -0.098 0.000 1.108 163 L CA 0.057 54.828 54.840 -0.115 0.000 0.830 163 L CB -0.030 41.913 42.059 -0.194 0.000 0.959 163 L HN 0.325 nan 8.230 nan 0.000 0.457 164 K N 0.673 121.006 120.400 -0.111 0.000 1.965 164 K HA -0.184 4.136 4.320 -0.000 0.000 0.214 164 K C 2.036 178.561 176.600 -0.125 0.000 1.046 164 K CA 1.830 57.987 56.287 -0.216 0.000 0.944 164 K CB -0.170 32.071 32.500 -0.431 0.000 0.726 164 K HN 0.105 nan 8.250 nan 0.000 0.441 165 Y N 0.332 120.678 120.300 0.077 0.000 2.561 165 Y HA 0.146 4.696 4.550 -0.000 0.000 0.291 165 Y C 1.153 177.045 175.900 -0.015 0.000 1.141 165 Y CA 0.366 58.512 58.100 0.077 0.000 1.303 165 Y CB -0.367 38.122 38.460 0.047 0.000 1.015 165 Y HN 0.105 nan 8.280 nan 0.000 0.547 166 G N 1.357 110.137 108.800 -0.033 0.000 2.404 166 G HA2 0.114 4.074 3.960 -0.000 0.000 0.289 166 G HA3 0.114 4.074 3.960 -0.000 0.000 0.289 166 G C 0.913 175.456 174.900 -0.596 0.000 1.074 166 G CA -0.496 44.490 45.100 -0.190 0.000 1.210 166 G HN 0.541 nan 8.290 nan 0.000 0.434 167 R N 1.324 121.674 120.500 -0.250 0.000 2.115 167 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 167 R C 2.311 178.600 176.300 -0.019 0.000 1.111 167 R CA 1.639 57.681 56.100 -0.097 0.000 0.976 167 R CB -0.850 29.510 30.300 0.101 0.000 0.870 167 R HN 0.499 nan 8.270 nan 0.000 0.445 168 T N 0.278 114.862 114.554 0.049 0.000 2.708 168 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 168 T C 2.148 176.843 174.700 -0.008 0.000 1.037 168 T CA 1.413 63.587 62.100 0.124 0.000 1.146 168 T CB -0.740 68.272 68.868 0.240 0.000 0.865 168 T HN 0.235 nan 8.240 nan 0.000 0.435 169 V N -0.424 119.429 119.914 -0.102 0.000 2.913 169 V HA -0.049 4.071 4.120 -0.000 0.000 0.260 169 V C 2.226 178.238 176.094 -0.137 0.000 1.098 169 V CA 1.425 63.616 62.300 -0.181 0.000 1.121 169 V CB -1.441 30.278 31.823 -0.173 0.000 0.714 169 V HN 0.629 nan 8.190 nan 0.000 0.487 170 H N 0.919 119.953 119.070 -0.061 0.000 2.284 170 H HA -0.046 4.510 4.556 -0.000 0.000 0.304 170 H C 2.707 178.020 175.328 -0.024 0.000 1.069 170 H CA 1.457 57.470 56.048 -0.058 0.000 1.327 170 H CB -0.079 29.699 29.762 0.026 0.000 1.387 170 H HN 0.440 nan 8.280 nan 0.000 0.498 171 S N 0.841 116.630 115.700 0.148 0.000 2.370 171 S HA -0.158 4.312 4.470 -0.000 0.000 0.226 171 S C 2.101 176.736 174.600 0.057 0.000 1.033 171 S CA 1.136 59.401 58.200 0.108 0.000 1.011 171 S CB -0.308 62.969 63.200 0.128 0.000 0.852 171 S HN 0.161 nan 8.310 nan 0.000 0.457 172 L N 1.627 122.850 121.223 -0.001 0.000 2.093 172 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 172 L C 2.187 179.050 176.870 -0.012 0.000 1.085 172 L CA 1.770 56.589 54.840 -0.035 0.000 0.755 172 L CB -1.240 40.707 42.059 -0.187 0.000 0.904 172 L HN 0.216 nan 8.230 nan 0.000 0.435 173 T N -0.885 113.623 114.554 -0.076 0.000 2.995 173 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 173 T C 1.727 176.388 174.700 -0.064 0.000 1.091 173 T CA 1.154 63.155 62.100 -0.165 0.000 1.128 173 T CB -0.083 68.580 68.868 -0.343 0.000 0.891 173 T HN 0.497 nan 8.240 nan 0.000 0.492 174 Q N 0.544 120.347 119.800 0.005 0.000 2.137 174 Q HA 0.168 4.508 4.340 -0.000 0.000 0.198 174 Q C 2.705 178.772 176.000 0.111 0.000 0.960 174 Q CA 1.068 56.901 55.803 0.050 0.000 0.847 174 Q CB -0.169 28.604 28.738 0.059 0.000 0.915 174 Q HN 0.540 nan 8.270 nan 0.000 0.448 175 A N 1.041 123.947 122.820 0.145 0.000 1.898 175 A HA -0.051 4.269 4.320 -0.000 0.000 0.214 175 A C 2.029 179.842 177.584 0.381 0.000 1.183 175 A CA 0.681 52.856 52.037 0.231 0.000 0.622 175 A CB -0.486 18.639 19.000 0.210 0.000 0.824 175 A HN 0.241 nan 8.150 nan 0.000 0.444 176 L N -0.639 120.782 121.223 0.330 0.000 2.275 176 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 176 L C 2.827 179.977 176.870 0.468 0.000 1.119 176 L CA 0.791 55.880 54.840 0.415 0.000 0.790 176 L CB -0.385 41.907 42.059 0.388 0.000 0.919 176 L HN 0.458 nan 8.230 nan 0.000 0.443 177 A N -0.173 122.857 122.820 0.350 0.000 2.168 177 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 177 A C 2.094 179.782 177.584 0.173 0.000 1.152 177 A CA 0.909 53.104 52.037 0.264 0.000 0.716 177 A CB -0.218 18.871 19.000 0.147 0.000 0.794 177 A HN 0.329 nan 8.150 nan 0.000 0.465 178 K N -1.312 119.182 120.400 0.156 0.000 2.486 178 K HA 0.141 4.461 4.320 -0.000 0.000 0.194 178 K C -0.602 175.809 176.600 -0.315 0.000 1.033 178 K CA 0.191 56.431 56.287 -0.079 0.000 1.004 178 K CB 0.022 32.423 32.500 -0.166 0.000 0.798 178 K HN 0.501 nan 8.250 nan 0.000 0.495 179 F N 0.974 120.957 119.950 0.055 0.000 2.509 179 F HA 0.201 4.728 4.527 -0.000 0.000 0.334 179 F C 0.592 176.402 175.800 0.017 0.000 1.060 179 F CA -1.273 56.745 58.000 0.030 0.000 0.997 179 F CB 0.788 39.800 39.000 0.020 0.000 1.271 179 F HN -0.177 nan 8.300 nan 0.000 0.488 180 D N 0.021 120.520 120.400 0.165 0.000 2.264 180 D HA 0.332 4.972 4.640 -0.000 0.000 0.249 180 D C 0.757 177.082 176.300 0.043 0.000 1.070 180 D CA 0.487 54.532 54.000 0.075 0.000 0.912 180 D CB 1.249 42.077 40.800 0.046 0.000 1.193 180 D HN 0.801 nan 8.370 nan 0.000 0.427 181 G N 1.946 110.752 108.800 0.010 0.000 2.305 181 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.287 181 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.287 181 G C -0.091 174.733 174.900 -0.128 0.000 1.036 181 G CA -0.244 44.831 45.100 -0.042 0.000 0.887 181 G HN 0.457 nan 8.290 nan 0.000 0.505 182 N N -0.136 118.475 118.700 -0.149 0.000 2.422 182 N HA 0.456 5.196 4.740 -0.000 0.000 0.266 182 N C 0.295 175.477 175.510 -0.548 0.000 1.007 182 N CA -0.473 52.346 53.050 -0.384 0.000 0.941 182 N CB 1.355 39.594 38.487 -0.414 0.000 1.115 182 N HN 0.384 nan 8.380 nan 0.000 0.492 183 R N 2.282 122.409 120.500 -0.621 0.000 2.254 183 R HA 0.395 4.735 4.340 -0.000 0.000 0.318 183 R C -1.113 174.729 176.300 -0.763 0.000 1.031 183 R CA -0.095 55.677 56.100 -0.547 0.000 0.905 183 R CB 0.056 30.125 30.300 -0.384 0.000 1.050 183 R HN 0.347 nan 8.270 nan 0.000 0.456 184 F N 3.977 123.632 119.950 -0.492 0.000 2.507 184 F HA 0.467 4.994 4.527 -0.000 0.000 0.327 184 F C -0.648 174.578 175.800 -0.956 0.000 1.068 184 F CA -0.534 57.102 58.000 -0.606 0.000 0.965 184 F CB 1.506 40.190 39.000 -0.526 0.000 1.192 184 F HN 0.400 nan 8.300 nan 0.000 0.476 185 Y N 1.814 121.943 120.300 -0.285 0.000 2.315 185 Y HA 0.387 4.936 4.550 -0.000 0.000 0.324 185 Y C -1.070 174.700 175.900 -0.216 0.000 1.062 185 Y CA -1.263 56.751 58.100 -0.144 0.000 1.159 185 Y CB 1.020 39.477 38.460 -0.004 0.000 1.145 185 Y HN 0.379 nan 8.280 nan 0.000 0.442 186 F N 4.475 124.600 119.950 0.292 0.000 2.410 186 F HA 0.584 5.111 4.527 -0.000 0.000 0.349 186 F C -0.295 175.551 175.800 0.077 0.000 1.117 186 F CA -0.853 57.220 58.000 0.121 0.000 1.104 186 F CB 0.919 39.925 39.000 0.009 0.000 1.122 186 F HN 0.228 nan 8.300 nan 0.000 0.483 187 I N 3.712 124.373 120.570 0.152 0.000 2.521 187 I HA 0.485 4.655 4.170 -0.000 0.000 0.277 187 I C -0.348 175.594 176.117 -0.292 0.000 1.054 187 I CA -0.157 61.027 61.300 -0.194 0.000 1.117 187 I CB 1.248 39.019 38.000 -0.380 0.000 1.217 187 I HN 0.602 nan 8.210 nan 0.000 0.469 188 A N 6.164 128.962 122.820 -0.037 0.000 2.469 188 A HA 0.980 5.300 4.320 -0.000 0.000 0.299 188 A C -2.857 175.008 177.584 0.469 0.000 1.098 188 A CA -1.848 50.314 52.037 0.208 0.000 0.737 188 A CB 1.175 20.238 19.000 0.105 0.000 1.312 188 A HN 0.335 nan 8.150 nan 0.000 0.414 189 P HA 0.056 nan 4.420 nan 0.000 0.261 189 P C -0.269 177.127 177.300 0.159 0.000 1.183 189 P CA 0.434 63.674 63.100 0.233 0.000 0.761 189 P CB 0.509 32.287 31.700 0.131 0.000 0.785 190 D N 3.389 123.867 120.400 0.130 0.000 2.182 190 D HA -0.220 4.420 4.640 -0.000 0.000 0.201 190 D C 1.636 177.966 176.300 0.049 0.000 0.986 190 D CA 1.678 55.728 54.000 0.083 0.000 0.847 190 D CB -1.051 39.796 40.800 0.077 0.000 0.942 190 D HN 0.334 nan 8.370 nan 0.000 0.467 191 A N 0.128 122.980 122.820 0.054 0.000 2.070 191 A HA 0.036 4.356 4.320 -0.000 0.000 0.220 191 A C 1.756 179.359 177.584 0.032 0.000 1.159 191 A CA 0.583 52.646 52.037 0.043 0.000 0.656 191 A CB -0.499 18.538 19.000 0.062 0.000 0.800 191 A HN 0.334 nan 8.150 nan 0.000 0.453 192 L N 0.159 121.410 121.223 0.047 0.000 3.084 192 L HA 0.396 4.736 4.340 -0.000 0.000 0.238 192 L C 0.577 177.433 176.870 -0.023 0.000 1.327 192 L CA -0.508 54.347 54.840 0.025 0.000 1.094 192 L CB -0.054 42.065 42.059 0.100 0.000 1.477 192 L HN 0.344 nan 8.230 nan 0.000 0.514 193 A N 0.399 123.180 122.820 -0.064 0.000 2.264 193 A HA 0.554 4.874 4.320 -0.000 0.000 0.304 193 A C -0.003 177.455 177.584 -0.209 0.000 1.100 193 A CA -0.616 51.358 52.037 -0.104 0.000 0.839 193 A CB 0.679 19.637 19.000 -0.070 0.000 1.121 193 A HN 0.297 nan 8.150 nan 0.000 0.496 194 M N 2.557 121.971 119.600 -0.311 0.000 2.284 194 M HA 0.168 4.648 4.480 -0.000 0.000 0.351 194 M C -1.964 174.056 176.300 -0.467 0.000 1.443 194 M CA -1.804 53.207 55.300 -0.482 0.000 1.031 194 M CB -0.205 31.913 32.600 -0.804 0.000 1.893 194 M HN 0.375 nan 8.290 nan 0.000 0.456 195 P HA -0.035 nan 4.420 nan 0.000 0.261 195 P C -0.180 176.745 177.300 -0.626 0.000 1.183 195 P CA 0.201 62.910 63.100 -0.651 0.000 0.761 195 P CB 0.512 31.557 31.700 -1.091 0.000 0.785 196 E N 3.304 123.293 120.200 -0.352 0.000 2.171 196 E HA -0.242 4.108 4.350 -0.000 0.000 0.197 196 E C 1.721 178.205 176.600 -0.192 0.000 0.997 196 E CA 1.602 57.869 56.400 -0.221 0.000 0.810 196 E CB -0.863 28.791 29.700 -0.076 0.000 0.738 196 E HN 0.610 nan 8.360 nan 0.000 0.467 197 Y N -0.481 119.735 120.300 -0.140 0.000 2.151 197 Y HA -0.190 4.360 4.550 -0.000 0.000 0.284 197 Y C 1.918 177.732 175.900 -0.144 0.000 1.166 197 Y CA 1.332 59.357 58.100 -0.124 0.000 1.163 197 Y CB -0.848 37.534 38.460 -0.129 0.000 0.974 197 Y HN 0.027 nan 8.280 nan 0.000 0.511 198 I N 0.393 120.723 120.570 -0.401 0.000 2.202 198 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 198 I C 2.563 178.519 176.117 -0.269 0.000 1.091 198 I CA 1.372 62.492 61.300 -0.300 0.000 1.368 198 I CB -0.556 37.137 38.000 -0.512 0.000 1.058 198 I HN 0.312 nan 8.210 nan 0.000 0.410 199 L N 0.478 121.474 121.223 -0.377 0.000 2.013 199 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 199 L C 2.306 179.149 176.870 -0.045 0.000 1.073 199 L CA 1.498 56.125 54.840 -0.355 0.000 0.753 199 L CB -1.001 40.797 42.059 -0.434 0.000 0.890 199 L HN 0.283 nan 8.230 nan 0.000 0.432 200 D N -0.120 120.275 120.400 -0.007 0.000 2.133 200 D HA -0.264 4.376 4.640 -0.000 0.000 0.192 200 D C 2.114 178.450 176.300 0.060 0.000 1.001 200 D CA 1.526 55.559 54.000 0.055 0.000 0.844 200 D CB -0.237 40.591 40.800 0.047 0.000 0.944 200 D HN 0.245 nan 8.370 nan 0.000 0.447 201 M N 0.417 120.036 119.600 0.032 0.000 2.132 201 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 201 M C 2.067 178.398 176.300 0.052 0.000 1.065 201 M CA 1.069 56.391 55.300 0.036 0.000 1.122 201 M CB -0.547 32.068 32.600 0.025 0.000 1.365 201 M HN 0.015 nan 8.290 nan 0.000 0.411 202 L N 0.345 121.592 121.223 0.041 0.000 2.083 202 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 202 L C 2.038 179.023 176.870 0.192 0.000 1.083 202 L CA 1.408 56.313 54.840 0.107 0.000 0.752 202 L CB -0.956 41.148 42.059 0.075 0.000 0.899 202 L HN 0.260 nan 8.230 nan 0.000 0.433 203 D N -0.408 120.123 120.400 0.218 0.000 2.097 203 D HA -0.208 4.432 4.640 -0.000 0.000 0.197 203 D C 2.065 178.430 176.300 0.109 0.000 0.984 203 D CA 0.957 55.070 54.000 0.188 0.000 0.826 203 D CB -0.244 40.673 40.800 0.194 0.000 0.973 203 D HN 0.272 nan 8.370 nan 0.000 0.460 204 E N 1.392 121.644 120.200 0.086 0.000 2.097 204 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 204 E C 0.986 177.620 176.600 0.056 0.000 1.000 204 E CA 1.178 57.614 56.400 0.059 0.000 0.804 204 E CB 0.005 29.734 29.700 0.049 0.000 0.740 204 E HN 0.185 nan 8.360 nan 0.000 0.454 205 K N -0.655 119.785 120.400 0.067 0.000 2.458 205 K HA 0.129 4.449 4.320 -0.000 0.000 0.194 205 K C 0.759 177.399 176.600 0.068 0.000 1.024 205 K CA 0.459 56.783 56.287 0.062 0.000 1.108 205 K CB 0.207 32.747 32.500 0.068 0.000 0.846 205 K HN 0.299 nan 8.250 nan 0.000 0.518 206 G N 2.066 110.910 108.800 0.074 0.000 2.323 206 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.292 206 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.292 206 G C -0.004 174.943 174.900 0.078 0.000 1.040 206 G CA 0.039 45.177 45.100 0.063 0.000 0.942 206 G HN 0.270 nan 8.290 nan 0.000 0.506 207 I N 0.183 120.830 120.570 0.129 0.000 2.577 207 I HA 0.586 4.755 4.170 -0.000 0.000 0.300 207 I C 0.849 177.070 176.117 0.173 0.000 0.990 207 I CA -0.552 60.847 61.300 0.166 0.000 1.283 207 I CB 1.767 39.917 38.000 0.250 0.000 1.411 207 I HN 0.278 nan 8.210 nan 0.000 0.515 208 A N 6.674 129.567 122.820 0.121 0.000 2.249 208 A HA 0.537 4.857 4.320 -0.000 0.000 0.314 208 A C -0.666 176.988 177.584 0.116 0.000 1.290 208 A CA -0.573 51.487 52.037 0.038 0.000 0.893 208 A CB 0.289 19.259 19.000 -0.050 0.000 1.165 208 A HN 0.788 nan 8.150 nan 0.000 0.530 209 W N 1.407 122.672 121.300 -0.059 0.000 2.869 209 W HA 0.825 5.485 4.660 -0.000 0.000 0.345 209 W C -0.474 175.948 176.519 -0.161 0.000 1.191 209 W CA -0.581 56.659 57.345 -0.176 0.000 1.104 209 W CB 0.846 30.238 29.460 -0.114 0.000 1.471 209 W HN 1.145 nan 8.180 nan 0.000 0.612 210 S N -0.026 115.831 115.700 0.261 0.000 2.578 210 S HA 0.532 5.002 4.470 -0.000 0.000 0.285 210 S C -1.402 173.272 174.600 0.123 0.000 1.126 210 S CA -1.010 57.279 58.200 0.148 0.000 0.878 210 S CB 0.886 64.170 63.200 0.140 0.000 1.091 210 S HN 0.514 nan 8.310 nan 0.000 0.450 211 L N 3.293 124.498 121.223 -0.031 0.000 2.343 211 L HA 0.702 5.042 4.340 -0.000 0.000 0.275 211 L C -0.097 176.396 176.870 -0.628 0.000 1.056 211 L CA -0.677 54.120 54.840 -0.071 0.000 0.804 211 L CB 0.792 42.915 42.059 0.107 0.000 1.203 211 L HN 0.714 nan 8.230 nan 0.000 0.440 212 H N 0.457 119.606 119.070 0.130 0.000 2.974 212 H HA 0.143 4.699 4.556 -0.000 0.000 0.366 212 H C -0.092 175.281 175.328 0.075 0.000 1.155 212 H CA -0.549 55.552 56.048 0.090 0.000 1.186 212 H CB 2.362 32.162 29.762 0.063 0.000 1.799 212 H HN 0.535 nan 8.280 nan 0.000 0.541 213 S N 1.289 117.114 115.700 0.208 0.000 2.470 213 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 213 S C 0.926 175.722 174.600 0.328 0.000 1.006 213 S CA 0.613 58.979 58.200 0.276 0.000 0.934 213 S CB 0.299 63.630 63.200 0.218 0.000 0.778 213 S HN 0.589 nan 8.310 nan 0.000 0.517 214 S N -0.715 115.108 115.700 0.206 0.000 2.664 214 S HA 0.583 5.053 4.470 -0.000 0.000 0.304 214 S C 0.706 175.339 174.600 0.056 0.000 1.099 214 S CA -0.706 57.590 58.200 0.161 0.000 1.003 214 S CB 0.913 64.185 63.200 0.120 0.000 1.092 214 S HN 0.273 nan 8.310 nan 0.000 0.525 215 I N 1.368 121.965 120.570 0.045 0.000 3.339 215 I HA 0.126 4.296 4.170 -0.000 0.000 0.285 215 I C 1.763 177.859 176.117 -0.036 0.000 1.201 215 I CA 0.337 61.626 61.300 -0.019 0.000 1.434 215 I CB -0.109 37.905 38.000 0.022 0.000 1.152 215 I HN 0.631 nan 8.210 nan 0.000 0.443 216 E N 1.379 121.586 120.200 0.011 0.000 2.268 216 E HA -0.230 4.119 4.350 -0.000 0.000 0.195 216 E C 1.605 178.184 176.600 -0.036 0.000 0.995 216 E CA 0.936 57.340 56.400 0.007 0.000 0.836 216 E CB -0.134 29.598 29.700 0.054 0.000 0.763 216 E HN 0.562 nan 8.360 nan 0.000 0.491 217 E N 0.430 120.606 120.200 -0.041 0.000 2.511 217 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 217 E C 1.265 177.733 176.600 -0.220 0.000 1.066 217 E CA 1.007 57.359 56.400 -0.080 0.000 0.871 217 E CB 0.320 30.017 29.700 -0.005 0.000 0.863 217 E HN 0.309 nan 8.360 nan 0.000 0.520 218 V N -3.873 115.871 119.914 -0.283 0.000 3.411 218 V HA 0.221 4.341 4.120 -0.000 0.000 0.287 218 V C 1.774 177.643 176.094 -0.376 0.000 1.543 218 V CA 0.060 62.082 62.300 -0.464 0.000 1.028 218 V CB 0.366 31.774 31.823 -0.693 0.000 0.840 218 V HN 0.076 nan 8.190 nan 0.000 0.435 219 M N 2.882 122.338 119.600 -0.241 0.000 2.144 219 M HA 0.005 4.485 4.480 -0.000 0.000 0.260 219 M C 2.098 178.267 176.300 -0.217 0.000 1.067 219 M CA 2.649 57.829 55.300 -0.200 0.000 1.095 219 M CB -0.659 31.858 32.600 -0.140 0.000 1.365 219 M HN 0.506 nan 8.290 nan 0.000 0.406 220 A N -1.069 121.618 122.820 -0.222 0.000 1.933 220 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 220 A C 2.113 179.560 177.584 -0.229 0.000 1.175 220 A CA 1.717 53.628 52.037 -0.210 0.000 0.628 220 A CB -0.650 18.236 19.000 -0.191 0.000 0.814 220 A HN 0.559 nan 8.150 nan 0.000 0.444 221 E N -0.085 119.935 120.200 -0.300 0.000 2.479 221 E HA 0.101 4.451 4.350 -0.000 0.000 0.193 221 E C 0.064 176.482 176.600 -0.303 0.000 1.049 221 E CA 0.338 56.527 56.400 -0.353 0.000 0.870 221 E CB 0.284 29.733 29.700 -0.420 0.000 0.944 221 E HN 0.501 nan 8.360 nan 0.000 0.492 222 V N -1.733 118.047 119.914 -0.224 0.000 2.630 222 V HA 0.348 4.468 4.120 -0.000 0.000 0.305 222 V C 0.748 176.815 176.094 -0.044 0.000 1.046 222 V CA -0.738 61.506 62.300 -0.093 0.000 0.934 222 V CB 2.004 33.761 31.823 -0.110 0.000 1.003 222 V HN -0.207 nan 8.190 nan 0.000 0.451 223 D N 1.730 122.146 120.400 0.027 0.000 2.290 223 D HA 0.277 4.917 4.640 -0.000 0.000 0.224 223 D C 0.166 176.464 176.300 -0.004 0.000 0.967 223 D CA 1.335 55.339 54.000 0.006 0.000 0.893 223 D CB 0.731 41.541 40.800 0.015 0.000 1.037 223 D HN 0.512 nan 8.370 nan 0.000 0.477 224 I N 1.115 121.700 120.570 0.024 0.000 2.465 224 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 224 I C -1.244 174.929 176.117 0.093 0.000 1.014 224 I CA -0.784 60.550 61.300 0.056 0.000 1.093 224 I CB 2.770 40.813 38.000 0.072 0.000 1.267 224 I HN -0.179 nan 8.210 nan 0.000 0.431 225 L N 8.248 129.532 121.223 0.100 0.000 2.301 225 L HA 0.376 4.716 4.340 -0.000 0.000 0.278 225 L C -1.517 175.467 176.870 0.190 0.000 1.022 225 L CA -0.258 54.650 54.840 0.114 0.000 0.854 225 L CB 0.496 42.582 42.059 0.045 0.000 1.226 225 L HN 0.469 nan 8.230 nan 0.000 0.429 226 Y N 6.220 126.564 120.300 0.074 0.000 2.594 226 Y HA 0.460 5.010 4.550 -0.000 0.000 0.342 226 Y C -0.155 175.752 175.900 0.011 0.000 1.010 226 Y CA -0.789 57.347 58.100 0.059 0.000 1.270 226 Y CB 0.514 39.020 38.460 0.075 0.000 1.125 226 Y HN 0.496 nan 8.280 nan 0.000 0.513 227 M N 4.757 124.291 119.600 -0.110 0.000 2.238 227 M HA 0.192 4.672 4.480 -0.000 0.000 0.347 227 M C 0.270 176.279 176.300 -0.486 0.000 1.173 227 M CA 0.238 55.441 55.300 -0.160 0.000 1.147 227 M CB 0.619 33.203 32.600 -0.028 0.000 1.547 227 M HN 0.684 nan 8.290 nan 0.000 0.455 228 T N 0.566 114.972 114.554 -0.246 0.000 2.916 228 T HA 0.662 5.012 4.350 -0.000 0.000 0.292 228 T C -0.272 174.401 174.700 -0.045 0.000 1.064 228 T CA -1.142 60.791 62.100 -0.278 0.000 1.011 228 T CB 2.388 71.232 68.868 -0.040 0.000 1.152 228 T HN 0.677 nan 8.240 nan 0.000 0.510 229 R N 0.886 121.401 120.500 0.025 0.000 2.349 229 R HA 0.518 4.858 4.340 -0.000 0.000 0.299 229 R C -0.634 175.713 176.300 0.078 0.000 1.027 229 R CA -0.615 55.551 56.100 0.110 0.000 0.958 229 R CB 0.775 31.162 30.300 0.144 0.000 1.047 229 R HN 0.607 nan 8.270 nan 0.000 0.468 230 V N 5.496 125.454 119.914 0.072 0.000 2.493 230 V HA -0.052 4.068 4.120 -0.000 0.000 0.292 230 V C 0.413 176.526 176.094 0.031 0.000 1.016 230 V CA 0.303 62.641 62.300 0.063 0.000 1.097 230 V CB 1.030 32.876 31.823 0.039 0.000 0.947 230 V HN 0.701 nan 8.190 nan 0.000 0.479 231 Q N 4.597 124.420 119.800 0.037 0.000 3.026 231 Q HA 0.124 4.464 4.340 -0.000 0.000 0.258 231 Q C 1.100 177.034 176.000 -0.109 0.000 1.388 231 Q CA -0.128 55.664 55.803 -0.019 0.000 1.000 231 Q CB 0.037 28.778 28.738 0.006 0.000 1.634 231 Q HN 0.645 nan 8.270 nan 0.000 0.571 232 K N 1.914 122.251 120.400 -0.106 0.000 2.049 232 K HA -0.269 4.051 4.320 -0.000 0.000 0.219 232 K C 1.789 178.272 176.600 -0.194 0.000 1.056 232 K CA 2.190 58.372 56.287 -0.174 0.000 0.946 232 K CB 0.146 32.558 32.500 -0.146 0.000 0.723 232 K HN 0.549 nan 8.250 nan 0.000 0.453 233 E N 0.495 120.614 120.200 -0.135 0.000 2.267 233 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 233 E C 1.683 178.192 176.600 -0.151 0.000 0.998 233 E CA 1.424 57.758 56.400 -0.110 0.000 0.830 233 E CB -0.122 29.538 29.700 -0.066 0.000 0.751 233 E HN 0.346 nan 8.360 nan 0.000 0.491 234 R N 0.135 120.485 120.500 -0.251 0.000 2.237 234 R HA 0.294 4.634 4.340 -0.000 0.000 0.195 234 R C 0.889 176.812 176.300 -0.628 0.000 0.956 234 R CA -0.214 55.637 56.100 -0.415 0.000 1.029 234 R CB 0.164 30.170 30.300 -0.489 0.000 0.972 234 R HN 0.099 nan 8.270 nan 0.000 0.493 235 L N 2.047 122.968 121.223 -0.503 0.000 2.514 235 L HA -0.038 4.302 4.340 -0.000 0.000 0.280 235 L C 0.168 177.045 176.870 0.012 0.000 1.223 235 L CA 0.065 54.742 54.840 -0.272 0.000 0.864 235 L CB 0.066 42.066 42.059 -0.098 0.000 1.118 235 L HN 0.063 nan 8.230 nan 0.000 0.494 236 D N 3.342 123.823 120.400 0.136 0.000 2.255 236 D HA 0.200 4.840 4.640 -0.000 0.000 0.249 236 D C -1.642 174.806 176.300 0.246 0.000 1.078 236 D CA -1.711 52.392 54.000 0.173 0.000 0.896 236 D CB 1.612 42.503 40.800 0.151 0.000 1.194 236 D HN 0.129 nan 8.370 nan 0.000 0.429 237 P HA -0.281 nan 4.420 nan 0.000 0.226 237 P C 1.023 178.240 177.300 -0.139 0.000 1.154 237 P CA 1.750 64.633 63.100 -0.361 0.000 0.918 237 P CB 0.117 31.642 31.700 -0.293 0.000 0.790 238 S N -0.960 114.738 115.700 -0.003 0.000 2.400 238 S HA -0.197 4.272 4.470 -0.000 0.000 0.232 238 S C 1.459 176.120 174.600 0.102 0.000 1.025 238 S CA 1.393 59.615 58.200 0.036 0.000 0.993 238 S CB -0.801 62.429 63.200 0.050 0.000 0.808 238 S HN 0.450 nan 8.310 nan 0.000 0.478 239 E N -0.292 120.018 120.200 0.184 0.000 2.489 239 E HA 0.084 4.434 4.350 -0.000 0.000 0.193 239 E C 0.638 177.410 176.600 0.287 0.000 1.057 239 E CA -0.038 56.492 56.400 0.217 0.000 0.866 239 E CB -0.158 29.686 29.700 0.240 0.000 0.916 239 E HN 0.636 nan 8.360 nan 0.000 0.500 240 Y N 0.156 120.473 120.300 0.028 0.000 2.651 240 Y HA -0.153 4.397 4.550 -0.000 0.000 0.296 240 Y C 2.250 178.160 175.900 0.015 0.000 1.150 240 Y CA 0.027 58.138 58.100 0.017 0.000 1.348 240 Y CB 0.126 38.591 38.460 0.009 0.000 0.983 240 Y HN 0.163 nan 8.280 nan 0.000 0.555 241 A N -0.072 122.853 122.820 0.175 0.000 2.172 241 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 241 A C 1.451 179.073 177.584 0.064 0.000 1.154 241 A CA 1.413 53.507 52.037 0.095 0.000 0.701 241 A CB -0.503 18.539 19.000 0.071 0.000 0.789 241 A HN 0.575 nan 8.150 nan 0.000 0.465 242 N N -1.418 117.326 118.700 0.073 0.000 2.171 242 N HA 0.143 4.883 4.740 -0.000 0.000 0.212 242 N C 0.983 176.502 175.510 0.015 0.000 1.184 242 N CA -0.015 53.063 53.050 0.047 0.000 0.888 242 N CB 0.670 39.204 38.487 0.079 0.000 1.038 242 N HN 0.152 nan 8.380 nan 0.000 0.517 243 V N 1.481 121.380 119.914 -0.024 0.000 2.287 243 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 243 V C 0.896 176.969 176.094 -0.036 0.000 1.053 243 V CA 1.620 63.879 62.300 -0.069 0.000 1.027 243 V CB -0.152 31.591 31.823 -0.133 0.000 0.646 243 V HN 0.259 nan 8.190 nan 0.000 0.447 244 K N 0.294 120.680 120.400 -0.024 0.000 2.270 244 K HA 0.487 4.807 4.320 -0.000 0.000 0.276 244 K C 0.073 176.664 176.600 -0.016 0.000 1.023 244 K CA 0.020 56.295 56.287 -0.019 0.000 0.955 244 K CB 0.988 33.476 32.500 -0.020 0.000 0.975 244 K HN 0.364 nan 8.250 nan 0.000 0.471 245 A N 2.605 125.423 122.820 -0.004 0.000 2.524 245 A HA -0.064 4.256 4.320 -0.000 0.000 0.250 245 A C 1.142 178.703 177.584 -0.039 0.000 1.078 245 A CA 0.072 52.116 52.037 0.012 0.000 0.761 245 A CB 0.339 19.363 19.000 0.041 0.000 1.012 245 A HN 0.956 nan 8.150 nan 0.000 0.500 246 Q N 2.132 121.866 119.800 -0.111 0.000 1.965 246 Q HA -0.022 4.318 4.340 -0.000 0.000 0.200 246 Q C -0.576 175.209 176.000 -0.360 0.000 0.981 246 Q CA 1.267 56.841 55.803 -0.381 0.000 0.834 246 Q CB -0.024 28.204 28.738 -0.850 0.000 0.900 246 Q HN 0.767 nan 8.270 nan 0.000 0.426 247 F N 0.489 120.465 119.950 0.043 0.000 2.411 247 F HA 0.439 4.966 4.527 -0.000 0.000 0.350 247 F C -0.655 175.166 175.800 0.036 0.000 1.114 247 F CA -0.895 57.131 58.000 0.044 0.000 1.135 247 F CB 1.334 40.369 39.000 0.059 0.000 1.120 247 F HN -0.213 nan 8.300 nan 0.000 0.495 248 V N 5.248 125.259 119.914 0.161 0.000 2.447 248 V HA 0.270 4.390 4.120 -0.000 0.000 0.292 248 V C -0.627 175.516 176.094 0.081 0.000 1.021 248 V CA -0.718 61.639 62.300 0.095 0.000 0.850 248 V CB 1.741 33.593 31.823 0.050 0.000 1.005 248 V HN 0.555 nan 8.190 nan 0.000 0.426 249 L N 7.171 128.435 121.223 0.069 0.000 2.331 249 L HA 0.544 4.884 4.340 -0.000 0.000 0.278 249 L C 0.268 177.166 176.870 0.047 0.000 1.106 249 L CA 0.658 55.533 54.840 0.059 0.000 0.824 249 L CB 0.400 42.492 42.059 0.056 0.000 1.142 249 L HN 0.571 nan 8.230 nan 0.000 0.443 250 R N 3.459 123.989 120.500 0.049 0.000 2.807 250 R HA 0.543 4.883 4.340 -0.000 0.000 0.276 250 R C 0.620 176.953 176.300 0.055 0.000 0.979 250 R CA -0.295 55.833 56.100 0.046 0.000 0.928 250 R CB 1.526 31.847 30.300 0.034 0.000 1.191 250 R HN 0.740 nan 8.270 nan 0.000 0.471 251 A N 0.895 123.752 122.820 0.062 0.000 2.076 251 A HA -0.185 4.134 4.320 -0.000 0.000 0.220 251 A C 1.800 179.425 177.584 0.069 0.000 1.160 251 A CA 2.162 54.244 52.037 0.076 0.000 0.653 251 A CB -0.466 18.580 19.000 0.077 0.000 0.801 251 A HN 0.772 nan 8.150 nan 0.000 0.455 252 S N -0.129 115.597 115.700 0.043 0.000 2.489 252 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 252 S C 0.980 175.596 174.600 0.027 0.000 0.995 252 S CA 0.974 59.185 58.200 0.017 0.000 0.934 252 S CB -0.215 62.972 63.200 -0.021 0.000 0.771 252 S HN 0.558 nan 8.310 nan 0.000 0.522 253 D N 2.116 122.551 120.400 0.058 0.000 2.240 253 D HA 0.140 4.779 4.640 -0.000 0.000 0.206 253 D C 1.683 178.074 176.300 0.152 0.000 0.963 253 D CA 0.396 54.454 54.000 0.098 0.000 0.863 253 D CB -0.452 40.385 40.800 0.062 0.000 0.973 253 D HN 0.367 nan 8.370 nan 0.000 0.501 254 L N 1.892 123.160 121.223 0.075 0.000 2.551 254 L HA -0.149 4.190 4.340 -0.000 0.000 0.230 254 L C 2.379 179.269 176.870 0.034 0.000 1.163 254 L CA 0.562 55.394 54.840 -0.014 0.000 0.826 254 L CB -0.860 41.178 42.059 -0.035 0.000 0.943 254 L HN 0.261 nan 8.230 nan 0.000 0.452 255 H N 1.561 120.619 119.070 -0.020 0.000 2.426 255 H HA -0.174 4.382 4.556 -0.000 0.000 0.298 255 H C 0.801 176.121 175.328 -0.014 0.000 1.107 255 H CA 1.848 57.894 56.048 -0.003 0.000 1.298 255 H CB -0.395 29.367 29.762 -0.000 0.000 1.377 255 H HN 0.539 nan 8.280 nan 0.000 0.519 256 N N 0.788 119.146 118.700 -0.570 0.000 2.401 256 N HA 0.352 5.092 4.740 -0.000 0.000 0.264 256 N C -0.366 174.986 175.510 -0.263 0.000 1.238 256 N CA 0.142 52.897 53.050 -0.491 0.000 0.889 256 N CB 0.422 38.503 38.487 -0.677 0.000 1.196 256 N HN 0.471 nan 8.380 nan 0.000 0.511 257 A N 0.776 123.481 122.820 -0.191 0.000 2.310 257 A HA 0.379 4.698 4.320 -0.000 0.000 0.299 257 A C 0.400 177.929 177.584 -0.092 0.000 1.147 257 A CA -0.697 51.230 52.037 -0.183 0.000 0.818 257 A CB 0.926 19.731 19.000 -0.324 0.000 1.096 257 A HN 0.162 nan 8.150 nan 0.000 0.495 258 K N 1.516 121.863 120.400 -0.087 0.000 2.511 258 K HA 0.045 4.365 4.320 -0.000 0.000 0.280 258 K C 1.298 177.939 176.600 0.069 0.000 1.008 258 K CA 0.576 56.843 56.287 -0.033 0.000 1.050 258 K CB 0.519 32.987 32.500 -0.053 0.000 0.889 258 K HN 0.759 nan 8.250 nan 0.000 0.484 259 A N 3.831 126.687 122.820 0.061 0.000 2.024 259 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 259 A C 1.800 179.406 177.584 0.036 0.000 1.164 259 A CA 1.820 53.903 52.037 0.076 0.000 0.643 259 A CB -0.505 18.488 19.000 -0.012 0.000 0.806 259 A HN 0.941 nan 8.150 nan 0.000 0.451 260 N N -0.793 117.905 118.700 -0.002 0.000 2.396 260 N HA -0.082 4.658 4.740 -0.000 0.000 0.180 260 N C 0.966 176.449 175.510 -0.045 0.000 1.028 260 N CA 0.468 53.483 53.050 -0.058 0.000 0.893 260 N CB -0.374 38.073 38.487 -0.066 0.000 0.967 260 N HN 0.410 nan 8.380 nan 0.000 0.440 261 M N 1.726 121.346 119.600 0.032 0.000 2.290 261 M HA 0.027 4.507 4.480 -0.000 0.000 0.356 261 M C -0.769 175.577 176.300 0.077 0.000 1.448 261 M CA 0.655 55.964 55.300 0.016 0.000 0.993 261 M CB 0.169 32.730 32.600 -0.064 0.000 1.934 261 M HN -0.064 nan 8.290 nan 0.000 0.461 262 K N 3.316 123.713 120.400 -0.005 0.000 2.259 262 K HA 0.578 4.898 4.320 -0.000 0.000 0.249 262 K C -1.337 175.312 176.600 0.082 0.000 0.942 262 K CA -0.549 55.743 56.287 0.009 0.000 0.816 262 K CB 2.131 34.552 32.500 -0.130 0.000 1.155 262 K HN 0.514 nan 8.250 nan 0.000 0.428 263 V N 5.066 125.073 119.914 0.155 0.000 2.348 263 V HA 0.361 4.481 4.120 -0.000 0.000 0.270 263 V C -0.373 175.894 176.094 0.288 0.000 1.037 263 V CA -0.653 61.776 62.300 0.216 0.000 0.872 263 V CB 0.251 32.253 31.823 0.297 0.000 1.002 263 V HN 0.506 nan 8.190 nan 0.000 0.464 264 L N 4.993 126.342 121.223 0.210 0.000 2.334 264 L HA 0.692 5.032 4.340 -0.000 0.000 0.276 264 L C -0.528 176.262 176.870 -0.134 0.000 1.014 264 L CA -0.620 54.305 54.840 0.142 0.000 0.815 264 L CB 1.881 44.058 42.059 0.197 0.000 1.268 264 L HN 0.608 nan 8.230 nan 0.000 0.428 265 H N 3.249 122.174 119.070 -0.242 0.000 3.042 265 H HA 0.240 4.796 4.556 -0.000 0.000 0.345 265 H C -2.512 172.638 175.328 -0.296 0.000 1.052 265 H CA -1.420 54.381 56.048 -0.412 0.000 1.311 265 H CB 3.035 32.577 29.762 -0.367 0.000 1.810 265 H HN 0.211 nan 8.280 nan 0.000 0.505 266 P HA -0.081 nan 4.420 nan 0.000 0.216 266 P C -0.124 177.275 177.300 0.165 0.000 1.150 266 P CA 1.123 64.227 63.100 0.007 0.000 0.843 266 P CB 0.287 32.009 31.700 0.036 0.000 0.787 267 L N -5.208 116.236 121.223 0.368 0.000 0.584 267 L HA -0.098 4.242 4.340 -0.000 0.000 0.356 267 L C -2.561 174.411 176.870 0.170 0.000 1.004 267 L CA -1.129 53.838 54.840 0.212 0.000 1.223 267 L CB -1.632 40.489 42.059 0.103 0.000 0.012 267 L HN -0.054 nan 8.230 nan 0.000 0.091 268 P HA 0.365 nan 4.420 nan 0.000 0.276 268 P C -1.339 175.937 177.300 -0.041 0.000 1.244 268 P CA -0.475 62.642 63.100 0.029 0.000 0.801 268 P CB 0.756 32.478 31.700 0.037 0.000 1.006 269 R N 1.344 121.710 120.500 -0.224 0.000 2.740 269 R HA 0.491 4.831 4.340 -0.000 0.000 0.282 269 R C -0.774 175.440 176.300 -0.143 0.000 0.969 269 R CA -0.736 55.167 56.100 -0.328 0.000 0.918 269 R CB 0.462 30.232 30.300 -0.883 0.000 1.175 269 R HN 0.240 nan 8.270 nan 0.000 0.464 270 V N 1.198 121.066 119.914 -0.076 0.000 3.263 270 V HA 0.033 4.153 4.120 -0.000 0.000 0.208 270 V C 1.294 177.361 176.094 -0.045 0.000 1.184 270 V CA 1.336 63.610 62.300 -0.042 0.000 1.341 270 V CB -0.184 31.630 31.823 -0.015 0.000 1.238 270 V HN 0.928 nan 8.190 nan 0.000 0.504 271 D N -0.131 120.254 120.400 -0.025 0.000 2.433 271 D HA -0.057 4.583 4.640 -0.000 0.000 0.211 271 D C 1.466 177.760 176.300 -0.011 0.000 1.114 271 D CA 0.405 54.394 54.000 -0.018 0.000 0.837 271 D CB 0.015 40.810 40.800 -0.008 0.000 0.984 271 D HN 0.591 nan 8.370 nan 0.000 0.505 272 E N 1.586 121.783 120.200 -0.005 0.000 2.285 272 E HA -0.034 4.315 4.350 -0.000 0.000 0.194 272 E C 0.811 177.412 176.600 0.002 0.000 0.997 272 E CA 0.245 56.661 56.400 0.026 0.000 0.845 272 E CB 0.177 29.924 29.700 0.079 0.000 0.782 272 E HN 0.379 nan 8.360 nan 0.000 0.491 273 I N 1.920 122.449 120.570 -0.069 0.000 2.420 273 I HA 0.355 4.525 4.170 -0.000 0.000 0.282 273 I C -0.156 175.921 176.117 -0.067 0.000 1.019 273 I CA -1.050 60.195 61.300 -0.092 0.000 1.130 273 I CB 1.675 39.516 38.000 -0.265 0.000 1.262 273 I HN -0.050 nan 8.210 nan 0.000 0.454 274 A N 3.734 126.547 122.820 -0.011 0.000 2.531 274 A HA 0.179 4.499 4.320 -0.000 0.000 0.236 274 A C 1.540 179.141 177.584 0.028 0.000 1.062 274 A CA 0.311 52.353 52.037 0.009 0.000 0.760 274 A CB 0.119 19.133 19.000 0.023 0.000 0.995 274 A HN 0.882 nan 8.150 nan 0.000 0.501 275 T N -0.693 113.884 114.554 0.038 0.000 3.025 275 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 275 T C 0.861 175.616 174.700 0.091 0.000 1.126 275 T CA 1.358 63.503 62.100 0.074 0.000 1.105 275 T CB -0.524 68.386 68.868 0.070 0.000 0.884 275 T HN 0.785 nan 8.240 nan 0.000 0.522 276 D N 1.409 121.852 120.400 0.072 0.000 2.310 276 D HA -0.060 4.580 4.640 -0.000 0.000 0.212 276 D C 1.795 178.153 176.300 0.098 0.000 0.965 276 D CA 0.291 54.336 54.000 0.074 0.000 0.879 276 D CB -0.800 40.034 40.800 0.056 0.000 0.921 276 D HN 0.422 nan 8.370 nan 0.000 0.510 277 V N 1.100 121.084 119.914 0.117 0.000 2.667 277 V HA -0.162 3.958 4.120 -0.000 0.000 0.252 277 V C 1.384 177.598 176.094 0.199 0.000 1.065 277 V CA 1.669 64.064 62.300 0.158 0.000 1.083 277 V CB -0.460 31.463 31.823 0.167 0.000 0.692 277 V HN 0.069 nan 8.190 nan 0.000 0.468 278 D N 0.531 121.059 120.400 0.213 0.000 2.218 278 D HA -0.129 4.511 4.640 -0.000 0.000 0.204 278 D C 1.672 178.051 176.300 0.130 0.000 0.976 278 D CA 0.891 55.017 54.000 0.210 0.000 0.853 278 D CB -0.227 40.727 40.800 0.258 0.000 0.939 278 D HN 0.360 nan 8.370 nan 0.000 0.481 279 K N 0.225 120.692 120.400 0.111 0.000 2.520 279 K HA 0.125 4.445 4.320 -0.000 0.000 0.205 279 K C 0.269 176.915 176.600 0.077 0.000 1.035 279 K CA -0.048 56.287 56.287 0.081 0.000 1.188 279 K CB 0.375 32.916 32.500 0.068 0.000 0.894 279 K HN 0.179 nan 8.250 nan 0.000 0.497 280 T N -2.763 111.848 114.554 0.095 0.000 2.950 280 T HA 0.362 4.712 4.350 -0.000 0.000 0.288 280 T C -2.226 172.512 174.700 0.062 0.000 1.035 280 T CA -2.037 60.118 62.100 0.092 0.000 1.028 280 T CB 1.678 70.644 68.868 0.164 0.000 1.109 280 T HN -0.159 nan 8.240 nan 0.000 0.514 281 P HA 0.211 nan 4.420 nan 0.000 0.253 281 P C 0.038 177.232 177.300 -0.176 0.000 1.508 281 P CA 0.076 63.124 63.100 -0.086 0.000 0.883 281 P CB -0.131 31.468 31.700 -0.169 0.000 1.519 282 H N -0.929 118.183 119.070 0.071 0.000 2.926 282 H HA 0.290 4.846 4.556 -0.000 0.000 0.249 282 H C 0.898 176.283 175.328 0.095 0.000 0.963 282 H CA -0.086 55.988 56.048 0.042 0.000 1.158 282 H CB 0.159 29.943 29.762 0.037 0.000 1.445 282 H HN 0.121 nan 8.280 nan 0.000 0.452 283 A N 0.635 123.577 122.820 0.204 0.000 2.540 283 A HA 0.010 4.330 4.320 -0.000 0.000 0.239 283 A C 0.336 177.912 177.584 -0.013 0.000 1.061 283 A CA 0.405 52.439 52.037 -0.004 0.000 0.758 283 A CB -0.074 18.880 19.000 -0.077 0.000 0.991 283 A HN 0.741 nan 8.150 nan 0.000 0.502 284 W N 2.458 123.383 121.300 -0.624 0.000 1.034 284 W HA 0.006 4.666 4.660 -0.000 0.000 0.168 284 W C 0.290 176.572 176.519 -0.395 0.000 0.698 284 W CA 0.152 57.267 57.345 -0.382 0.000 0.698 284 W CB 0.023 29.391 29.460 -0.153 0.000 0.803 284 W HN 1.058 nan 8.180 nan 0.000 0.426 285 Y N -1.610 118.622 120.300 -0.113 0.000 2.483 285 Y HA -0.065 4.485 4.550 -0.000 0.000 0.291 285 Y C 1.663 177.380 175.900 -0.306 0.000 1.143 285 Y CA 0.849 58.816 58.100 -0.222 0.000 1.289 285 Y CB -1.537 36.749 38.460 -0.289 0.000 0.983 285 Y HN -0.210 nan 8.280 nan 0.000 0.556 286 F N 0.477 120.293 119.950 -0.223 0.000 2.473 286 F HA 0.015 4.542 4.527 -0.000 0.000 0.294 286 F C 2.047 177.707 175.800 -0.234 0.000 1.103 286 F CA 0.260 58.167 58.000 -0.156 0.000 1.442 286 F CB -0.609 38.290 39.000 -0.168 0.000 1.097 286 F HN 0.051 nan 8.300 nan 0.000 0.547 287 Q N 0.030 119.632 119.800 -0.330 0.000 2.049 287 Q HA -0.190 4.149 4.340 -0.000 0.000 0.198 287 Q C 2.256 178.159 176.000 -0.163 0.000 0.971 287 Q CA 1.516 57.063 55.803 -0.427 0.000 0.833 287 Q CB -0.570 27.484 28.738 -1.141 0.000 0.896 287 Q HN 0.458 nan 8.270 nan 0.000 0.434 288 Q N 0.093 119.818 119.800 -0.125 0.000 2.133 288 Q HA -0.275 4.065 4.340 -0.000 0.000 0.208 288 Q C 1.796 177.842 176.000 0.077 0.000 0.991 288 Q CA 1.785 57.625 55.803 0.061 0.000 0.867 288 Q CB -0.233 28.566 28.738 0.102 0.000 0.911 288 Q HN 0.402 nan 8.270 nan 0.000 0.417 289 A N 0.476 123.332 122.820 0.060 0.000 1.873 289 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 289 A C 2.341 179.947 177.584 0.037 0.000 1.186 289 A CA 1.549 53.630 52.037 0.074 0.000 0.616 289 A CB -1.451 17.628 19.000 0.132 0.000 0.823 289 A HN 0.623 nan 8.150 nan 0.000 0.442 290 G N 0.063 108.881 108.800 0.030 0.000 2.476 290 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 290 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 290 G C 1.308 176.224 174.900 0.027 0.000 1.164 290 G CA 1.181 46.285 45.100 0.006 0.000 0.768 290 G HN 0.697 nan 8.290 nan 0.000 0.560 291 N N 0.701 119.498 118.700 0.163 0.000 2.651 291 N HA -0.003 4.737 4.740 -0.000 0.000 0.193 291 N C 2.078 177.679 175.510 0.153 0.000 1.149 291 N CA 0.375 53.629 53.050 0.341 0.000 0.933 291 N CB -0.049 38.740 38.487 0.504 0.000 0.974 291 N HN 0.355 nan 8.380 nan 0.000 0.448 292 G N 0.448 109.248 108.800 -0.001 0.000 2.511 292 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.217 292 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.217 292 G C 1.345 176.105 174.900 -0.233 0.000 1.133 292 G CA 0.101 45.142 45.100 -0.100 0.000 0.792 292 G HN 0.184 nan 8.290 nan 0.000 0.539 293 I N 0.368 120.734 120.570 -0.341 0.000 2.252 293 I HA -0.039 4.131 4.170 -0.000 0.000 0.245 293 I C 2.357 178.152 176.117 -0.537 0.000 1.102 293 I CA 1.031 62.029 61.300 -0.504 0.000 1.385 293 I CB -0.908 36.664 38.000 -0.712 0.000 1.064 293 I HN 0.082 nan 8.210 nan 0.000 0.414 294 F N 1.320 121.199 119.950 -0.119 0.000 2.128 294 F HA -0.018 4.509 4.527 -0.000 0.000 0.295 294 F C 2.693 178.312 175.800 -0.302 0.000 1.100 294 F CA 1.069 58.941 58.000 -0.213 0.000 1.260 294 F CB -1.352 37.481 39.000 -0.279 0.000 1.009 294 F HN -0.012 nan 8.300 nan 0.000 0.476 295 A N 0.139 122.839 122.820 -0.199 0.000 1.972 295 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 295 A C 2.274 179.757 177.584 -0.168 0.000 1.169 295 A CA 1.342 53.262 52.037 -0.196 0.000 0.635 295 A CB -0.614 18.306 19.000 -0.133 0.000 0.810 295 A HN 0.330 nan 8.150 nan 0.000 0.446 296 R N -0.846 119.505 120.500 -0.248 0.000 2.153 296 R HA -0.028 4.312 4.340 -0.000 0.000 0.218 296 R C 2.342 178.575 176.300 -0.111 0.000 1.072 296 R CA 1.103 57.009 56.100 -0.323 0.000 0.990 296 R CB -0.204 29.662 30.300 -0.724 0.000 0.889 296 R HN 0.658 nan 8.270 nan 0.000 0.452 297 Q N 0.357 120.105 119.800 -0.087 0.000 2.046 297 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 297 Q C 2.288 178.297 176.000 0.014 0.000 0.975 297 Q CA 1.573 57.371 55.803 -0.009 0.000 0.836 297 Q CB -0.159 28.590 28.738 0.018 0.000 0.896 297 Q HN 0.340 nan 8.270 nan 0.000 0.428 298 A N 0.963 123.777 122.820 -0.010 0.000 1.873 298 A HA -0.230 4.089 4.320 -0.000 0.000 0.218 298 A C 2.047 179.648 177.584 0.027 0.000 1.193 298 A CA 1.529 53.564 52.037 -0.003 0.000 0.629 298 A CB -0.807 18.166 19.000 -0.046 0.000 0.826 298 A HN 0.350 nan 8.150 nan 0.000 0.447 299 L N -0.520 120.721 121.223 0.030 0.000 2.083 299 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 299 L C 2.338 179.269 176.870 0.101 0.000 1.083 299 L CA 1.471 56.352 54.840 0.070 0.000 0.752 299 L CB -0.353 41.756 42.059 0.083 0.000 0.899 299 L HN 0.428 nan 8.230 nan 0.000 0.433 300 L N -1.347 119.943 121.223 0.112 0.000 2.072 300 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 300 L C 2.654 179.579 176.870 0.091 0.000 1.079 300 L CA 1.014 55.924 54.840 0.116 0.000 0.752 300 L CB -0.899 41.235 42.059 0.126 0.000 0.906 300 L HN 0.315 nan 8.230 nan 0.000 0.436 301 A N 0.481 123.347 122.820 0.078 0.000 1.865 301 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 301 A C 2.239 179.877 177.584 0.091 0.000 1.191 301 A CA 1.684 53.766 52.037 0.074 0.000 0.623 301 A CB -0.842 18.192 19.000 0.057 0.000 0.826 301 A HN 0.360 nan 8.150 nan 0.000 0.444 302 L N -0.663 120.612 121.223 0.087 0.000 2.093 302 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 302 L C 2.425 179.376 176.870 0.134 0.000 1.085 302 L CA 1.036 55.938 54.840 0.103 0.000 0.755 302 L CB -0.500 41.607 42.059 0.081 0.000 0.904 302 L HN 0.262 nan 8.230 nan 0.000 0.435 303 V N -0.334 119.641 119.914 0.101 0.000 2.649 303 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 303 V C 2.040 178.169 176.094 0.059 0.000 1.054 303 V CA 1.120 63.453 62.300 0.055 0.000 1.073 303 V CB 0.023 31.865 31.823 0.032 0.000 0.699 303 V HN 0.351 nan 8.190 nan 0.000 0.463 304 L N -0.767 120.528 121.223 0.120 0.000 2.554 304 L HA 0.228 4.568 4.340 -0.000 0.000 0.225 304 L C 0.559 177.577 176.870 0.246 0.000 1.104 304 L CA 0.303 55.233 54.840 0.149 0.000 0.866 304 L CB 0.000 42.118 42.059 0.098 0.000 1.047 304 L HN 0.320 nan 8.230 nan 0.000 0.468 305 N N 0.135 118.979 118.700 0.239 0.000 2.362 305 N HA 0.193 4.933 4.740 -0.000 0.000 0.298 305 N C 0.382 175.941 175.510 0.082 0.000 1.048 305 N CA -0.272 52.866 53.050 0.147 0.000 0.858 305 N CB 2.278 40.810 38.487 0.074 0.000 1.218 305 N HN 0.003 nan 8.380 nan 0.000 0.488 306 R N 0.552 120.903 120.500 -0.249 0.000 2.119 306 R HA 0.038 4.378 4.340 -0.000 0.000 0.222 306 R C -0.582 175.544 176.300 -0.290 0.000 1.088 306 R CA 0.991 56.661 56.100 -0.716 0.000 0.984 306 R CB 0.378 30.131 30.300 -0.911 0.000 0.884 306 R HN 0.555 nan 8.270 nan 0.000 0.447 307 D N -0.143 120.170 120.400 -0.146 0.000 2.964 307 D HA 0.238 4.877 4.640 -0.000 0.000 0.234 307 D C -1.398 174.885 176.300 -0.028 0.000 1.223 307 D CA -0.426 53.530 54.000 -0.073 0.000 0.889 307 D CB 1.895 42.652 40.800 -0.072 0.000 1.609 307 D HN -0.078 nan 8.370 nan 0.000 0.523 308 L N 2.285 123.504 121.223 -0.005 0.000 2.334 308 L HA 0.569 4.909 4.340 -0.000 0.000 0.276 308 L C -0.355 176.518 176.870 0.006 0.000 1.014 308 L CA -0.903 53.941 54.840 0.008 0.000 0.815 308 L CB 1.849 43.921 42.059 0.021 0.000 1.268 308 L HN 0.161 nan 8.230 nan 0.000 0.428 309 V N 5.339 125.257 119.914 0.007 0.000 2.447 309 V HA 0.612 4.732 4.120 -0.000 0.000 0.292 309 V C -0.355 175.745 176.094 0.010 0.000 1.021 309 V CA -0.465 61.839 62.300 0.006 0.000 0.850 309 V CB 1.821 33.646 31.823 0.003 0.000 1.005 309 V HN 0.712 nan 8.190 nan 0.000 0.426 310 L N 0.000 121.230 121.223 0.011 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.847 54.840 0.012 0.000 0.813 310 L CB 0.000 42.068 42.059 0.014 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502