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 3csu_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LXXXXETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDL 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 0.000 177.587 177.584 0.006 0.000 1.274 1 A CA 0.000 52.038 52.037 0.001 0.000 0.836 1 A CB 0.000 19.006 19.000 0.011 0.000 0.831 2 N N 0.191 118.900 118.700 0.014 0.000 2.642 2 N HA -0.119 4.621 4.740 -0.000 0.000 0.269 2 N C -1.913 173.637 175.510 0.067 0.000 1.073 2 N CA 1.125 54.196 53.050 0.034 0.000 0.748 2 N CB -0.233 38.258 38.487 0.006 0.000 0.894 2 N HN 0.382 nan 8.380 nan 0.000 0.548 3 P HA -0.007 nan 4.420 nan 0.000 0.242 3 P C 1.284 178.626 177.300 0.069 0.000 1.197 3 P CA 0.586 63.721 63.100 0.059 0.000 0.765 3 P CB 0.259 31.983 31.700 0.040 0.000 0.936 4 L N -2.666 118.609 121.223 0.087 0.000 2.585 4 L HA 0.147 4.486 4.340 -0.000 0.000 0.226 4 L C 0.939 177.873 176.870 0.107 0.000 1.113 4 L CA -0.533 54.356 54.840 0.082 0.000 0.876 4 L CB -0.520 41.586 42.059 0.079 0.000 1.072 4 L HN -0.099 nan 8.230 nan 0.000 0.468 5 Y N 2.861 123.158 120.300 -0.005 0.000 2.805 5 Y HA -0.153 4.397 4.550 -0.000 0.000 0.331 5 Y C 1.073 176.953 175.900 -0.034 0.000 1.241 5 Y CA -0.045 58.048 58.100 -0.012 0.000 1.546 5 Y CB 0.117 38.573 38.460 -0.007 0.000 1.248 5 Y HN 0.202 nan 8.280 nan 0.000 0.559 6 Q N 1.690 121.215 119.800 -0.458 0.000 2.439 6 Q HA -0.277 4.063 4.340 -0.000 0.000 0.247 6 Q C -0.467 175.337 176.000 -0.327 0.000 0.899 6 Q CA 1.100 56.614 55.803 -0.481 0.000 1.201 6 Q CB -0.991 27.341 28.738 -0.677 0.000 1.608 6 Q HN 0.627 nan 8.270 nan 0.000 0.563 7 K N 0.634 120.916 120.400 -0.197 0.000 2.144 7 K HA 0.342 4.662 4.320 -0.000 0.000 0.270 7 K C 0.040 176.549 176.600 -0.152 0.000 1.005 7 K CA -0.383 55.795 56.287 -0.182 0.000 0.932 7 K CB 0.480 32.948 32.500 -0.054 0.000 1.021 7 K HN 0.242 nan 8.250 nan 0.000 0.462 8 H N 1.138 120.199 119.070 -0.015 0.000 2.629 8 H HA 0.197 4.753 4.556 -0.000 0.000 0.357 8 H C 0.030 175.368 175.328 0.016 0.000 1.121 8 H CA -0.314 55.730 56.048 -0.006 0.000 1.406 8 H CB 0.765 30.519 29.762 -0.014 0.000 1.456 8 H HN 0.184 nan 8.280 nan 0.000 0.579 9 I N 4.667 125.335 120.570 0.163 0.000 2.503 9 I HA 0.018 4.188 4.170 -0.000 0.000 0.277 9 I C 0.044 176.229 176.117 0.112 0.000 1.078 9 I CA -0.066 61.309 61.300 0.124 0.000 1.184 9 I CB 0.468 38.545 38.000 0.129 0.000 1.353 9 I HN 0.673 nan 8.210 nan 0.000 0.490 10 I N 1.642 122.268 120.570 0.093 0.000 2.927 10 I HA 0.114 4.284 4.170 -0.000 0.000 0.268 10 I C 1.100 177.262 176.117 0.074 0.000 1.153 10 I CA 0.789 62.127 61.300 0.065 0.000 1.459 10 I CB 0.022 38.041 38.000 0.031 0.000 1.149 10 I HN 0.472 nan 8.210 nan 0.000 0.443 11 S N -0.178 115.569 115.700 0.078 0.000 2.556 11 S HA 0.453 4.923 4.470 -0.000 0.000 0.271 11 S C 0.569 175.219 174.600 0.084 0.000 1.135 11 S CA -0.588 57.661 58.200 0.081 0.000 0.858 11 S CB 1.461 64.697 63.200 0.061 0.000 1.114 11 S HN -0.004 nan 8.310 nan 0.000 0.468 12 I N 3.219 123.843 120.570 0.090 0.000 2.676 12 I HA -0.068 4.102 4.170 -0.000 0.000 0.259 12 I C 1.680 177.842 176.117 0.075 0.000 1.194 12 I CA 1.135 62.488 61.300 0.088 0.000 1.473 12 I CB -1.391 36.664 38.000 0.092 0.000 1.096 12 I HN 0.714 nan 8.210 nan 0.000 0.443 13 N N 0.800 119.541 118.700 0.068 0.000 2.364 13 N HA -0.176 4.564 4.740 -0.000 0.000 0.183 13 N C 0.890 176.427 175.510 0.045 0.000 1.022 13 N CA 0.885 53.967 53.050 0.054 0.000 0.883 13 N CB 0.037 38.552 38.487 0.048 0.000 0.965 13 N HN 0.290 nan 8.380 nan 0.000 0.438 14 D N 0.381 120.811 120.400 0.049 0.000 2.347 14 D HA 0.074 4.714 4.640 -0.000 0.000 0.213 14 D C 0.033 176.360 176.300 0.044 0.000 0.985 14 D CA 0.504 54.530 54.000 0.044 0.000 0.879 14 D CB 0.252 41.081 40.800 0.049 0.000 0.919 14 D HN 0.226 nan 8.370 nan 0.000 0.526 15 L N 1.114 122.369 121.223 0.053 0.000 2.272 15 L HA 0.255 4.595 4.340 -0.000 0.000 0.289 15 L C 0.804 177.699 176.870 0.042 0.000 1.032 15 L CA -0.677 54.196 54.840 0.054 0.000 0.810 15 L CB 1.643 43.746 42.059 0.074 0.000 1.205 15 L HN -0.143 nan 8.230 nan 0.000 0.422 16 S N 3.093 118.808 115.700 0.024 0.000 2.624 16 S HA 0.226 4.696 4.470 -0.000 0.000 0.263 16 S C 1.146 175.734 174.600 -0.021 0.000 1.287 16 S CA -0.500 57.696 58.200 -0.007 0.000 0.990 16 S CB 1.246 64.438 63.200 -0.014 0.000 0.950 16 S HN 0.775 nan 8.310 nan 0.000 0.561 17 R N 0.365 120.799 120.500 -0.110 0.000 2.105 17 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 17 R C 1.024 177.280 176.300 -0.073 0.000 1.135 17 R CA 2.152 58.116 56.100 -0.226 0.000 0.967 17 R CB -0.776 29.250 30.300 -0.457 0.000 0.861 17 R HN 0.760 nan 8.270 nan 0.000 0.442 18 D N 0.509 120.882 120.400 -0.044 0.000 2.117 18 D HA -0.122 4.517 4.640 -0.000 0.000 0.198 18 D C 1.400 177.724 176.300 0.040 0.000 0.982 18 D CA 1.298 55.301 54.000 0.005 0.000 0.828 18 D CB -0.261 40.539 40.800 -0.001 0.000 0.967 18 D HN 0.261 nan 8.370 nan 0.000 0.464 19 D N 0.038 120.461 120.400 0.038 0.000 2.092 19 D HA -0.120 4.520 4.640 -0.000 0.000 0.193 19 D C 2.330 178.682 176.300 0.087 0.000 0.994 19 D CA 0.588 54.623 54.000 0.058 0.000 0.828 19 D CB -0.429 40.403 40.800 0.053 0.000 0.963 19 D HN 0.225 nan 8.370 nan 0.000 0.450 20 L N 0.792 122.084 121.223 0.115 0.000 2.013 20 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 20 L C 2.172 179.152 176.870 0.184 0.000 1.073 20 L CA 1.019 55.962 54.840 0.173 0.000 0.753 20 L CB -0.572 41.655 42.059 0.280 0.000 0.890 20 L HN 0.012 nan 8.230 nan 0.000 0.432 21 N N 0.138 118.952 118.700 0.190 0.000 2.104 21 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 21 N C 1.793 177.377 175.510 0.123 0.000 1.024 21 N CA 1.213 54.370 53.050 0.178 0.000 0.853 21 N CB -0.418 38.161 38.487 0.152 0.000 1.008 21 N HN 0.154 nan 8.380 nan 0.000 0.424 22 L N 1.277 122.556 121.223 0.094 0.000 1.989 22 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 22 L C 2.125 179.036 176.870 0.067 0.000 1.071 22 L CA 1.370 56.253 54.840 0.071 0.000 0.749 22 L CB -0.902 41.193 42.059 0.060 0.000 0.890 22 L HN -0.092 nan 8.230 nan 0.000 0.431 23 V N 0.097 120.055 119.914 0.072 0.000 2.252 23 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 23 V C 2.637 178.748 176.094 0.028 0.000 1.056 23 V CA 2.222 64.552 62.300 0.051 0.000 1.022 23 V CB -0.716 31.143 31.823 0.059 0.000 0.641 23 V HN 0.494 nan 8.190 nan 0.000 0.445 24 L N 0.150 121.423 121.223 0.083 0.000 2.083 24 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 24 L C 2.740 179.686 176.870 0.127 0.000 1.083 24 L CA 1.584 56.501 54.840 0.128 0.000 0.752 24 L CB -1.069 41.160 42.059 0.284 0.000 0.899 24 L HN 0.371 nan 8.230 nan 0.000 0.433 25 A N 0.161 123.047 122.820 0.110 0.000 1.902 25 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 25 A C 2.396 180.013 177.584 0.056 0.000 1.181 25 A CA 2.243 54.337 52.037 0.095 0.000 0.623 25 A CB -0.848 18.199 19.000 0.078 0.000 0.818 25 A HN 0.392 nan 8.150 nan 0.000 0.443 26 T N 0.327 114.898 114.554 0.028 0.000 2.777 26 T HA 0.018 4.368 4.350 -0.000 0.000 0.266 26 T C 2.235 176.922 174.700 -0.022 0.000 1.040 26 T CA 1.430 63.537 62.100 0.011 0.000 1.141 26 T CB -0.448 68.430 68.868 0.016 0.000 0.868 26 T HN 0.589 nan 8.240 nan 0.000 0.444 27 A N 1.666 124.424 122.820 -0.103 0.000 1.883 27 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 27 A C 2.667 180.145 177.584 -0.175 0.000 1.186 27 A CA 1.958 53.844 52.037 -0.252 0.000 0.624 27 A CB -1.191 17.359 19.000 -0.750 0.000 0.822 27 A HN 0.513 nan 8.150 nan 0.000 0.444 28 A N -0.370 122.451 122.820 0.001 0.000 1.902 28 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 28 A C 2.121 179.720 177.584 0.024 0.000 1.181 28 A CA 1.782 53.909 52.037 0.150 0.000 0.623 28 A CB -0.364 18.769 19.000 0.223 0.000 0.818 28 A HN 0.414 nan 8.150 nan 0.000 0.443 29 K N -0.025 120.388 120.400 0.022 0.000 1.991 29 K HA -0.100 4.220 4.320 -0.000 0.000 0.212 29 K C 1.957 178.559 176.600 0.003 0.000 1.049 29 K CA 1.435 57.730 56.287 0.013 0.000 0.932 29 K CB -0.895 31.617 32.500 0.021 0.000 0.717 29 K HN 0.548 nan 8.250 nan 0.000 0.441 30 L N 1.174 122.408 121.223 0.018 0.000 2.042 30 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 30 L C 2.743 179.638 176.870 0.042 0.000 1.076 30 L CA 1.363 56.240 54.840 0.062 0.000 0.749 30 L CB -0.485 41.650 42.059 0.126 0.000 0.893 30 L HN 0.253 nan 8.230 nan 0.000 0.432 31 K N 0.347 120.664 120.400 -0.139 0.000 2.103 31 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 31 K C 2.100 178.567 176.600 -0.223 0.000 1.048 31 K CA 1.398 57.365 56.287 -0.534 0.000 0.930 31 K CB -0.051 31.826 32.500 -1.040 0.000 0.716 31 K HN 0.295 nan 8.250 nan 0.000 0.444 32 A N 0.716 123.469 122.820 -0.111 0.000 1.897 32 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 32 A C 0.362 177.937 177.584 -0.015 0.000 1.181 32 A CA 0.956 52.962 52.037 -0.052 0.000 0.620 32 A CB 0.044 19.027 19.000 -0.028 0.000 0.821 32 A HN 0.333 nan 8.150 nan 0.000 0.443 33 N N 0.303 119.004 118.700 0.002 0.000 2.607 33 N HA 0.299 5.039 4.740 -0.000 0.000 0.271 33 N C -3.322 172.212 175.510 0.040 0.000 1.142 33 N CA -0.924 52.139 53.050 0.021 0.000 0.810 33 N CB 1.717 40.214 38.487 0.016 0.000 1.306 33 N HN 0.073 nan 8.380 nan 0.000 0.536 34 P HA 0.123 nan 4.420 nan 0.000 0.271 34 P C -0.518 176.816 177.300 0.055 0.000 1.218 34 P CA -0.118 63.032 63.100 0.082 0.000 0.780 34 P CB 0.876 32.639 31.700 0.105 0.000 0.901 35 Q N 2.465 122.297 119.800 0.054 0.000 2.788 35 Q HA 0.199 4.538 4.340 -0.000 0.000 0.261 35 Q C -1.857 174.163 176.000 0.033 0.000 1.029 35 Q CA -1.615 54.209 55.803 0.037 0.000 0.848 35 Q CB 1.072 29.829 28.738 0.032 0.000 1.185 35 Q HN 0.374 nan 8.270 nan 0.000 0.482 36 P HA -0.134 nan 4.420 nan 0.000 0.226 36 P C 0.223 177.530 177.300 0.011 0.000 1.146 36 P CA 1.273 64.390 63.100 0.028 0.000 0.773 36 P CB 0.479 32.194 31.700 0.026 0.000 0.772 37 E N -1.961 118.239 120.200 0.001 0.000 2.676 37 E HA 0.100 4.450 4.350 -0.000 0.000 0.225 37 E C 1.365 177.952 176.600 -0.023 0.000 0.944 37 E CA -0.301 56.084 56.400 -0.025 0.000 1.156 37 E CB -0.323 29.354 29.700 -0.038 0.000 1.117 37 E HN 0.041 nan 8.360 nan 0.000 0.523 38 L N 0.763 121.986 121.223 -0.000 0.000 2.137 38 L HA -0.156 4.184 4.340 -0.000 0.000 0.213 38 L C 1.353 178.229 176.870 0.010 0.000 1.085 38 L CA 1.821 56.666 54.840 0.009 0.000 0.760 38 L CB 0.025 42.098 42.059 0.022 0.000 0.893 38 L HN 0.149 nan 8.230 nan 0.000 0.434 39 L N -0.387 120.838 121.223 0.002 0.000 3.110 39 L HA 0.183 4.523 4.340 -0.000 0.000 0.266 39 L C 0.567 177.426 176.870 -0.018 0.000 1.257 39 L CA -0.368 54.478 54.840 0.009 0.000 1.038 39 L CB -0.234 41.836 42.059 0.018 0.000 1.395 39 L HN 0.125 nan 8.230 nan 0.000 0.566 40 K N 0.909 121.264 120.400 -0.074 0.000 2.469 40 K HA -0.062 4.257 4.320 -0.000 0.000 0.274 40 K C 0.109 176.616 176.600 -0.155 0.000 0.983 40 K CA 0.554 56.731 56.287 -0.182 0.000 0.974 40 K CB 0.204 32.514 32.500 -0.317 0.000 0.913 40 K HN 0.394 nan 8.250 nan 0.000 0.493 41 H N -0.589 118.496 119.070 0.024 0.000 3.428 41 H HA -0.123 4.433 4.556 -0.000 0.000 0.204 41 H C -0.623 174.719 175.328 0.024 0.000 1.078 41 H CA 0.917 56.979 56.048 0.024 0.000 1.183 41 H CB -0.647 29.130 29.762 0.025 0.000 1.132 41 H HN 0.512 nan 8.280 nan 0.000 0.323 42 K N 1.332 121.799 120.400 0.111 0.000 2.156 42 K HA 0.621 4.941 4.320 -0.000 0.000 0.254 42 K C -0.139 176.492 176.600 0.051 0.000 0.950 42 K CA -0.742 55.591 56.287 0.077 0.000 0.849 42 K CB 2.941 35.473 32.500 0.053 0.000 1.100 42 K HN -0.087 nan 8.250 nan 0.000 0.434 43 V N 4.046 123.989 119.914 0.047 0.000 2.448 43 V HA 0.440 4.560 4.120 -0.000 0.000 0.295 43 V C -0.080 176.026 176.094 0.020 0.000 1.025 43 V CA -0.795 61.525 62.300 0.034 0.000 0.859 43 V CB 1.323 33.178 31.823 0.054 0.000 0.988 43 V HN 0.586 nan 8.190 nan 0.000 0.431 44 I N 3.680 124.243 120.570 -0.011 0.000 2.441 44 I HA 0.691 4.861 4.170 -0.000 0.000 0.295 44 I C 0.417 176.510 176.117 -0.040 0.000 0.994 44 I CA -0.581 60.702 61.300 -0.028 0.000 1.144 44 I CB 1.947 39.918 38.000 -0.049 0.000 1.314 44 I HN 0.660 nan 8.210 nan 0.000 0.445 45 A N 4.020 126.810 122.820 -0.050 0.000 2.276 45 A HA 0.453 4.773 4.320 -0.000 0.000 0.300 45 A C 0.051 177.534 177.584 -0.168 0.000 1.235 45 A CA -0.251 51.737 52.037 -0.081 0.000 0.867 45 A CB 0.710 19.677 19.000 -0.055 0.000 1.137 45 A HN 0.608 nan 8.150 nan 0.000 0.527 46 S N 2.232 117.820 115.700 -0.187 0.000 2.695 46 S HA 0.321 4.790 4.470 -0.000 0.000 0.275 46 S C -0.437 173.935 174.600 -0.379 0.000 1.203 46 S CA -0.550 57.553 58.200 -0.162 0.000 1.061 46 S CB -0.937 62.238 63.200 -0.042 0.000 1.152 46 S HN 0.713 nan 8.310 nan 0.000 0.495 47 C N 5.740 124.655 119.300 -0.642 0.000 2.135 47 C HA 0.445 4.905 4.460 -0.000 0.000 0.345 47 C C -0.067 174.317 174.990 -1.010 0.000 1.067 47 C CA -1.020 57.163 59.018 -1.393 0.000 1.517 47 C CB -2.143 24.798 27.740 -1.331 0.000 1.923 47 C HN 0.760 nan 8.230 nan 0.000 0.466 48 F N 2.529 122.039 119.950 -0.733 0.000 2.499 48 F HA 0.307 4.834 4.527 0.000 0.000 0.353 48 F C 1.070 176.877 175.800 0.013 0.000 1.196 48 F CA -0.902 56.965 58.000 -0.220 0.000 1.244 48 F CB -0.252 38.677 39.000 -0.119 0.000 1.577 48 F HN 0.530 nan 8.300 nan 0.000 0.614 49 F N 0.056 120.116 119.950 0.184 0.000 2.269 49 F HA -0.123 4.404 4.527 -0.000 0.000 0.301 49 F C 1.432 177.257 175.800 0.041 0.000 1.082 49 F CA 0.767 58.884 58.000 0.194 0.000 1.360 49 F CB -0.087 38.906 39.000 -0.012 0.000 1.041 49 F HN 0.257 nan 8.300 nan 0.000 0.512 50 E N 1.114 121.442 120.200 0.214 0.000 2.114 50 E HA 0.514 4.864 4.350 -0.000 0.000 0.266 50 E C -0.502 176.236 176.600 0.231 0.000 0.896 50 E CA -0.810 55.677 56.400 0.145 0.000 0.750 50 E CB 1.133 30.884 29.700 0.086 0.000 1.121 50 E HN 0.079 nan 8.360 nan 0.000 0.413 51 A N 3.467 126.400 122.820 0.189 0.000 2.555 51 A HA 0.188 4.508 4.320 -0.000 0.000 0.233 51 A C 0.260 177.957 177.584 0.187 0.000 1.060 51 A CA 0.486 52.632 52.037 0.182 0.000 0.759 51 A CB 0.496 19.552 19.000 0.094 0.000 0.995 51 A HN 0.489 nan 8.150 nan 0.000 0.506 52 S N 1.059 116.840 115.700 0.136 0.000 2.769 52 S HA 0.246 4.716 4.470 -0.000 0.000 0.150 52 S C 0.861 175.418 174.600 -0.072 0.000 1.034 52 S CA 0.130 58.396 58.200 0.110 0.000 1.096 52 S CB -0.397 62.974 63.200 0.285 0.000 1.567 52 S HN 0.813 nan 8.310 nan 0.000 0.435 53 T N 3.228 117.742 114.554 -0.067 0.000 2.597 53 T HA -0.187 4.162 4.350 -0.000 0.000 0.267 53 T C 1.942 176.587 174.700 -0.091 0.000 1.053 53 T CA 1.696 63.734 62.100 -0.104 0.000 1.165 53 T CB -0.173 68.665 68.868 -0.051 0.000 0.863 53 T HN 0.548 nan 8.240 nan 0.000 0.427 54 R N 0.164 120.652 120.500 -0.019 0.000 2.073 54 R HA -0.063 4.277 4.340 -0.000 0.000 0.234 54 R C 2.852 179.164 176.300 0.020 0.000 1.134 54 R CA 1.689 57.794 56.100 0.009 0.000 0.952 54 R CB -0.627 29.702 30.300 0.049 0.000 0.850 54 R HN 0.338 nan 8.270 nan 0.000 0.433 55 T N 0.341 114.935 114.554 0.067 0.000 2.777 55 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 55 T C 1.739 176.506 174.700 0.112 0.000 1.040 55 T CA 1.146 63.349 62.100 0.172 0.000 1.141 55 T CB -0.132 68.941 68.868 0.342 0.000 0.868 55 T HN 0.278 nan 8.240 nan 0.000 0.444 56 R N 0.694 121.031 120.500 -0.271 0.000 2.073 56 R HA 0.003 4.343 4.340 -0.000 0.000 0.234 56 R C 2.331 178.518 176.300 -0.188 0.000 1.134 56 R CA 1.199 56.911 56.100 -0.646 0.000 0.952 56 R CB -0.424 29.067 30.300 -1.348 0.000 0.850 56 R HN 0.359 nan 8.270 nan 0.000 0.433 57 L N 0.165 121.311 121.223 -0.130 0.000 2.131 57 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 57 L C 2.666 179.538 176.870 0.003 0.000 1.092 57 L CA 1.187 55.997 54.840 -0.050 0.000 0.759 57 L CB -0.475 41.554 42.059 -0.050 0.000 0.903 57 L HN 0.277 nan 8.230 nan 0.000 0.435 58 S N -0.173 115.533 115.700 0.010 0.000 2.345 58 S HA -0.156 4.313 4.470 -0.000 0.000 0.220 58 S C 1.969 176.586 174.600 0.028 0.000 1.031 58 S CA 1.052 59.243 58.200 -0.014 0.000 0.996 58 S CB -0.256 62.918 63.200 -0.043 0.000 0.882 58 S HN 0.271 nan 8.310 nan 0.000 0.445 59 F N 2.209 122.178 119.950 0.031 0.000 2.095 59 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 59 F C 2.473 178.288 175.800 0.024 0.000 1.104 59 F CA 1.760 59.795 58.000 0.058 0.000 1.232 59 F CB -0.648 38.441 39.000 0.149 0.000 0.987 59 F HN 0.369 nan 8.300 nan 0.000 0.475 60 E N -1.255 119.088 120.200 0.239 0.000 2.106 60 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 60 E C 2.109 178.824 176.600 0.191 0.000 0.984 60 E CA 1.691 58.184 56.400 0.155 0.000 0.806 60 E CB -0.414 29.361 29.700 0.125 0.000 0.750 60 E HN 0.311 nan 8.360 nan 0.000 0.458 61 T N 0.819 115.459 114.554 0.143 0.000 2.720 61 T HA -0.154 4.195 4.350 -0.000 0.000 0.268 61 T C 2.153 176.900 174.700 0.078 0.000 1.037 61 T CA 1.399 63.567 62.100 0.113 0.000 1.144 61 T CB -0.217 68.658 68.868 0.012 0.000 0.864 61 T HN 0.055 nan 8.240 nan 0.000 0.444 62 S N 1.296 117.016 115.700 0.034 0.000 2.365 62 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 62 S C 2.119 176.740 174.600 0.035 0.000 1.039 62 S CA 1.462 59.664 58.200 0.004 0.000 1.033 62 S CB -0.442 62.768 63.200 0.016 0.000 0.887 62 S HN 0.453 nan 8.310 nan 0.000 0.447 63 M N 0.364 119.987 119.600 0.038 0.000 2.065 63 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 63 M C 2.093 178.325 176.300 -0.112 0.000 1.069 63 M CA 1.823 57.087 55.300 -0.060 0.000 1.110 63 M CB -0.809 31.701 32.600 -0.151 0.000 1.328 63 M HN 0.370 nan 8.290 nan 0.000 0.405 64 H N -0.359 118.725 119.070 0.023 0.000 2.421 64 H HA -0.019 4.537 4.556 -0.000 0.000 0.298 64 H C 2.147 177.479 175.328 0.006 0.000 1.087 64 H CA 1.010 57.064 56.048 0.010 0.000 1.330 64 H CB -0.002 29.762 29.762 0.002 0.000 1.388 64 H HN 0.166 nan 8.280 nan 0.000 0.526 65 R N 0.423 120.984 120.500 0.102 0.000 2.193 65 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 65 R C 1.511 177.840 176.300 0.050 0.000 1.110 65 R CA 0.768 56.904 56.100 0.061 0.000 0.988 65 R CB -0.269 30.044 30.300 0.022 0.000 0.871 65 R HN 0.400 nan 8.270 nan 0.000 0.458 66 L N -0.918 120.326 121.223 0.037 0.000 2.607 66 L HA 0.228 4.568 4.340 -0.000 0.000 0.228 66 L C 1.111 177.988 176.870 0.012 0.000 1.123 66 L CA 0.424 55.279 54.840 0.026 0.000 0.890 66 L CB 0.287 42.361 42.059 0.025 0.000 1.103 66 L HN 0.302 nan 8.230 nan 0.000 0.468 67 G N 0.146 108.957 108.800 0.018 0.000 2.157 67 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 67 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 67 G C 0.399 175.290 174.900 -0.015 0.000 0.979 67 G CA 0.050 45.155 45.100 0.008 0.000 0.650 67 G HN 0.486 nan 8.290 nan 0.000 0.529 68 A N -0.244 122.549 122.820 -0.044 0.000 2.313 68 A HA 0.819 5.139 4.320 -0.000 0.000 0.261 68 A C 0.771 178.289 177.584 -0.110 0.000 1.090 68 A CA 0.800 52.801 52.037 -0.060 0.000 0.807 68 A CB 0.737 19.699 19.000 -0.062 0.000 1.055 68 A HN 0.951 nan 8.150 nan 0.000 0.492 69 S N -1.159 114.506 115.700 -0.059 0.000 2.608 69 S HA 0.615 5.085 4.470 -0.000 0.000 0.291 69 S C -0.537 174.017 174.600 -0.077 0.000 1.146 69 S CA -0.459 57.718 58.200 -0.039 0.000 1.043 69 S CB 1.355 64.574 63.200 0.031 0.000 1.037 69 S HN 0.609 nan 8.310 nan 0.000 0.520 70 V N 2.564 122.450 119.914 -0.047 0.000 2.789 70 V HA 0.728 4.848 4.120 -0.000 0.000 0.311 70 V C -0.526 175.577 176.094 0.016 0.000 1.073 70 V CA -0.746 61.528 62.300 -0.044 0.000 0.921 70 V CB 1.719 33.494 31.823 -0.080 0.000 1.009 70 V HN 0.757 nan 8.190 nan 0.000 0.426 71 V N 0.691 120.609 119.914 0.006 0.000 3.007 71 V HA 1.155 5.275 4.120 -0.000 0.000 0.311 71 V C -0.017 176.070 176.094 -0.012 0.000 1.120 71 V CA 0.115 62.430 62.300 0.026 0.000 0.980 71 V CB 1.443 33.301 31.823 0.058 0.000 1.033 71 V HN 1.483 nan 8.190 nan 0.000 0.429 72 G N 1.715 110.517 108.800 0.002 0.000 2.323 72 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 72 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 72 G C -1.694 173.208 174.900 0.003 0.000 1.278 72 G CA -0.113 44.912 45.100 -0.125 0.000 0.860 72 G HN 1.934 nan 8.290 nan 0.000 0.504 73 F N -1.065 118.861 119.950 -0.040 0.000 2.588 73 F HA 0.733 5.259 4.527 -0.000 0.000 0.310 73 F C 0.958 176.758 175.800 0.000 0.000 1.082 73 F CA -0.383 57.590 58.000 -0.045 0.000 0.929 73 F CB 1.861 40.804 39.000 -0.095 0.000 1.254 73 F HN 0.653 nan 8.300 nan 0.000 0.455 74 S N -0.828 114.975 115.700 0.172 0.000 2.503 74 S HA 0.246 4.716 4.470 -0.000 0.000 0.217 74 S C -0.265 174.439 174.600 0.172 0.000 0.999 74 S CA 0.836 59.091 58.200 0.092 0.000 0.914 74 S CB -0.244 62.967 63.200 0.018 0.000 0.782 74 S HN 0.852 nan 8.310 nan 0.000 0.520 75 D N -0.299 120.242 120.400 0.235 0.000 2.720 75 D HA 0.241 4.881 4.640 -0.000 0.000 0.239 75 D C 0.459 176.856 176.300 0.161 0.000 1.218 75 D CA 0.148 54.266 54.000 0.198 0.000 0.748 75 D CB 1.049 41.915 40.800 0.110 0.000 1.387 75 D HN -0.028 nan 8.370 nan 0.000 0.438 76 S N 1.303 117.073 115.700 0.117 0.000 2.522 76 S HA 0.088 4.558 4.470 -0.000 0.000 0.227 76 S C 1.730 176.319 174.600 -0.018 0.000 0.986 76 S CA 1.090 59.296 58.200 0.010 0.000 0.929 76 S CB -0.125 63.114 63.200 0.064 0.000 0.769 76 S HN 0.539 nan 8.310 nan 0.000 0.529 77 A N 2.548 125.374 122.820 0.010 0.000 2.016 77 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 77 A C 1.534 179.114 177.584 -0.007 0.000 1.162 77 A CA 0.837 52.874 52.037 -0.000 0.000 0.662 77 A CB -0.360 18.646 19.000 0.010 0.000 0.812 77 A HN 0.660 nan 8.150 nan 0.000 0.450 78 N N 0.642 119.343 118.700 0.001 0.000 2.295 78 N HA 0.053 4.793 4.740 -0.000 0.000 0.221 78 N C 0.237 175.734 175.510 -0.022 0.000 1.129 78 N CA 0.832 53.883 53.050 0.000 0.000 0.836 78 N CB 0.190 38.690 38.487 0.023 0.000 1.040 78 N HN 0.594 nan 8.380 nan 0.000 0.494 79 T N -3.090 111.425 114.554 -0.066 0.000 2.888 79 T HA 0.375 4.725 4.350 -0.000 0.000 0.288 79 T C 0.890 175.529 174.700 -0.102 0.000 1.063 79 T CA -0.642 61.380 62.100 -0.129 0.000 1.010 79 T CB 1.530 70.211 68.868 -0.312 0.000 1.214 79 T HN -0.029 nan 8.240 nan 0.000 0.533 80 S N 0.050 115.684 115.700 -0.111 0.000 2.556 80 S HA 0.319 4.789 4.470 -0.000 0.000 0.216 80 S C 0.770 175.323 174.600 -0.078 0.000 0.970 80 S CA -0.589 57.566 58.200 -0.074 0.000 0.912 80 S CB -0.788 62.381 63.200 -0.052 0.000 0.790 80 S HN 0.618 nan 8.310 nan 0.000 0.504 87 T N -0.335 114.164 114.554 -0.091 0.000 2.900 87 T HA 0.134 4.484 4.350 -0.000 0.000 0.307 87 T C 1.001 175.608 174.700 -0.155 0.000 1.065 87 T CA -0.612 61.409 62.100 -0.132 0.000 1.105 87 T CB 1.032 69.796 68.868 -0.173 0.000 0.979 87 T HN 0.531 nan 8.240 nan 0.000 0.544 88 L N 2.520 123.630 121.223 -0.188 0.000 2.093 88 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 88 L C 2.675 179.380 176.870 -0.275 0.000 1.085 88 L CA 2.195 56.906 54.840 -0.214 0.000 0.755 88 L CB -1.450 40.430 42.059 -0.298 0.000 0.904 88 L HN 0.934 nan 8.230 nan 0.000 0.435 89 A N -0.409 122.142 122.820 -0.448 0.000 1.865 89 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 89 A C 2.000 179.219 177.584 -0.609 0.000 1.191 89 A CA 2.085 53.581 52.037 -0.903 0.000 0.623 89 A CB -0.954 17.215 19.000 -1.385 0.000 0.826 89 A HN 0.540 nan 8.150 nan 0.000 0.444 90 D N -0.907 119.275 120.400 -0.363 0.000 2.178 90 D HA -0.058 4.582 4.640 -0.000 0.000 0.202 90 D C 1.985 178.217 176.300 -0.114 0.000 0.974 90 D CA 1.597 55.483 54.000 -0.191 0.000 0.841 90 D CB -0.598 40.126 40.800 -0.127 0.000 0.953 90 D HN 0.410 nan 8.370 nan 0.000 0.478 91 T N 1.159 115.658 114.554 -0.093 0.000 2.708 91 T HA -0.078 4.271 4.350 -0.000 0.000 0.266 91 T C 1.915 176.614 174.700 -0.002 0.000 1.037 91 T CA 0.451 62.548 62.100 -0.006 0.000 1.146 91 T CB 0.059 68.981 68.868 0.090 0.000 0.865 91 T HN 0.078 nan 8.240 nan 0.000 0.435 92 I N 1.449 122.012 120.570 -0.012 0.000 2.315 92 I HA -0.061 4.108 4.170 -0.000 0.000 0.248 92 I C 2.600 178.711 176.117 -0.009 0.000 1.117 92 I CA 1.011 62.320 61.300 0.016 0.000 1.404 92 I CB -1.410 36.617 38.000 0.044 0.000 1.071 92 I HN 0.169 nan 8.210 nan 0.000 0.419 93 S N 0.655 116.345 115.700 -0.017 0.000 2.387 93 S HA -0.129 4.341 4.470 -0.000 0.000 0.230 93 S C 2.215 176.781 174.600 -0.057 0.000 1.035 93 S CA 1.185 59.393 58.200 0.013 0.000 1.014 93 S CB -0.193 63.017 63.200 0.015 0.000 0.836 93 S HN 0.251 nan 8.310 nan 0.000 0.466 94 V N 1.533 121.382 119.914 -0.108 0.000 2.302 94 V HA -0.045 4.075 4.120 -0.000 0.000 0.243 94 V C 2.034 177.800 176.094 -0.547 0.000 1.036 94 V CA 1.291 63.468 62.300 -0.206 0.000 1.020 94 V CB -0.505 31.249 31.823 -0.116 0.000 0.657 94 V HN 0.424 nan 8.190 nan 0.000 0.453 95 I N 1.340 121.607 120.570 -0.505 0.000 2.264 95 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 95 I C 2.514 178.355 176.117 -0.460 0.000 1.111 95 I CA 1.871 62.762 61.300 -0.681 0.000 1.382 95 I CB -0.437 37.440 38.000 -0.205 0.000 1.060 95 I HN 0.473 nan 8.210 nan 0.000 0.418 96 S N -0.472 115.096 115.700 -0.222 0.000 2.537 96 S HA -0.143 4.327 4.470 -0.000 0.000 0.240 96 S C 1.824 176.379 174.600 -0.075 0.000 0.981 96 S CA 1.244 59.387 58.200 -0.094 0.000 0.948 96 S CB -0.984 62.202 63.200 -0.023 0.000 0.759 96 S HN 0.626 nan 8.310 nan 0.000 0.531 97 T N -2.215 112.253 114.554 -0.144 0.000 3.081 97 T HA 0.164 4.514 4.350 -0.000 0.000 0.255 97 T C 1.144 175.930 174.700 0.143 0.000 1.113 97 T CA -0.016 62.083 62.100 -0.001 0.000 1.082 97 T CB -0.402 68.487 68.868 0.035 0.000 0.939 97 T HN 0.471 nan 8.240 nan 0.000 0.506 98 Y N 1.764 122.083 120.300 0.031 0.000 2.558 98 Y HA 0.481 5.031 4.550 -0.000 0.000 0.273 98 Y C 1.276 177.190 175.900 0.023 0.000 1.100 98 Y CA -1.287 56.829 58.100 0.027 0.000 1.276 98 Y CB -0.525 37.953 38.460 0.029 0.000 1.196 98 Y HN 0.284 nan 8.280 nan 0.000 0.527 99 V N -2.130 117.880 119.914 0.159 0.000 3.096 99 V HA 0.489 4.609 4.120 -0.000 0.000 0.319 99 V C 0.424 176.552 176.094 0.056 0.000 1.103 99 V CA -0.738 61.623 62.300 0.101 0.000 1.016 99 V CB 2.135 34.006 31.823 0.080 0.000 1.090 99 V HN -0.032 nan 8.190 nan 0.000 0.449 100 D N 1.188 121.614 120.400 0.043 0.000 2.305 100 D HA 0.421 5.061 4.640 -0.000 0.000 0.206 100 D C 0.613 176.921 176.300 0.013 0.000 0.974 100 D CA 1.609 55.626 54.000 0.029 0.000 0.871 100 D CB 1.060 41.882 40.800 0.037 0.000 0.947 100 D HN 0.991 nan 8.370 nan 0.000 0.516 101 A N 0.164 122.988 122.820 0.007 0.000 2.589 101 A HA 0.612 4.932 4.320 -0.000 0.000 0.296 101 A C -1.494 176.075 177.584 -0.025 0.000 1.062 101 A CA -0.600 51.435 52.037 -0.004 0.000 0.686 101 A CB 1.178 20.175 19.000 -0.005 0.000 1.282 101 A HN 0.004 nan 8.150 nan 0.000 0.404 102 I N 1.886 122.437 120.570 -0.031 0.000 2.382 102 I HA 0.354 4.524 4.170 -0.000 0.000 0.285 102 I C -0.732 175.306 176.117 -0.131 0.000 1.007 102 I CA -0.840 60.419 61.300 -0.068 0.000 1.142 102 I CB 1.859 39.842 38.000 -0.029 0.000 1.289 102 I HN 0.334 nan 8.210 nan 0.000 0.453 103 V N 7.877 127.652 119.914 -0.232 0.000 2.348 103 V HA 0.401 4.521 4.120 -0.000 0.000 0.270 103 V C 0.179 176.020 176.094 -0.421 0.000 1.037 103 V CA -0.306 61.756 62.300 -0.396 0.000 0.872 103 V CB 1.010 32.445 31.823 -0.646 0.000 1.002 103 V HN 0.693 nan 8.190 nan 0.000 0.464 104 M N 4.465 123.858 119.600 -0.345 0.000 2.464 104 M HA 0.749 5.229 4.480 -0.000 0.000 0.308 104 M C -0.763 175.320 176.300 -0.362 0.000 1.127 104 M CA -0.804 54.310 55.300 -0.310 0.000 0.913 104 M CB 2.351 34.987 32.600 0.060 0.000 1.689 104 M HN 0.410 nan 8.290 nan 0.000 0.445 105 R N 1.747 121.945 120.500 -0.503 0.000 2.480 105 R HA 0.525 4.865 4.340 -0.000 0.000 0.306 105 R C -1.743 174.600 176.300 0.072 0.000 0.958 105 R CA -0.347 55.546 56.100 -0.344 0.000 0.861 105 R CB 1.137 31.048 30.300 -0.648 0.000 1.171 105 R HN 0.891 nan 8.270 nan 0.000 0.445 106 H N 4.978 124.045 119.070 -0.005 0.000 2.851 106 H HA 0.315 4.870 4.556 -0.000 0.000 0.372 106 H C -2.234 173.094 175.328 0.000 0.000 1.158 106 H CA -2.251 53.817 56.048 0.034 0.000 1.159 106 H CB 2.770 32.469 29.762 -0.106 0.000 1.757 106 H HN 0.415 nan 8.280 nan 0.000 0.546 107 P HA -0.046 nan 4.420 nan 0.000 0.223 107 P C -0.249 177.156 177.300 0.175 0.000 1.151 107 P CA 0.937 64.063 63.100 0.044 0.000 0.787 107 P CB 0.770 32.428 31.700 -0.070 0.000 0.788 108 Q N 0.163 120.231 119.800 0.447 0.000 2.274 108 Q HA 0.253 4.593 4.340 -0.000 0.000 0.260 108 Q C 0.141 176.158 176.000 0.028 0.000 0.974 108 Q CA -0.738 55.164 55.803 0.164 0.000 0.876 108 Q CB 1.780 30.579 28.738 0.103 0.000 1.297 108 Q HN 0.123 nan 8.270 nan 0.000 0.446 109 E N 0.751 120.952 120.200 0.002 0.000 2.344 109 E HA 0.212 4.562 4.350 -0.000 0.000 0.270 109 E C 0.290 176.852 176.600 -0.062 0.000 1.021 109 E CA 0.627 57.016 56.400 -0.018 0.000 0.887 109 E CB 0.192 29.893 29.700 0.001 0.000 0.997 109 E HN 0.834 nan 8.360 nan 0.000 0.429 110 G N 2.916 111.673 108.800 -0.073 0.000 2.175 110 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.244 110 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.244 110 G C 0.858 175.665 174.900 -0.155 0.000 0.982 110 G CA 0.440 45.485 45.100 -0.091 0.000 0.641 110 G HN 0.815 nan 8.290 nan 0.000 0.527 111 A N 0.292 122.964 122.820 -0.246 0.000 1.933 111 A HA 0.421 4.741 4.320 -0.000 0.000 0.218 111 A C 2.806 180.222 177.584 -0.279 0.000 1.175 111 A CA 2.620 54.397 52.037 -0.432 0.000 0.628 111 A CB -0.781 17.630 19.000 -0.981 0.000 0.814 111 A HN 1.778 nan 8.150 nan 0.000 0.444 112 A N -0.377 122.338 122.820 -0.175 0.000 1.898 112 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 112 A C 2.175 179.685 177.584 -0.123 0.000 1.181 112 A CA 1.999 53.965 52.037 -0.119 0.000 0.620 112 A CB -0.424 18.535 19.000 -0.070 0.000 0.819 112 A HN 0.427 nan 8.150 nan 0.000 0.442 113 R N -0.393 120.042 120.500 -0.107 0.000 2.080 113 R HA -0.128 4.212 4.340 -0.000 0.000 0.236 113 R C 1.952 178.191 176.300 -0.102 0.000 1.137 113 R CA 1.766 57.805 56.100 -0.101 0.000 0.943 113 R CB -1.001 29.256 30.300 -0.072 0.000 0.846 113 R HN 0.440 nan 8.270 nan 0.000 0.431 114 L N 0.402 121.578 121.223 -0.078 0.000 2.079 114 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 114 L C 2.019 178.934 176.870 0.076 0.000 1.081 114 L CA 2.296 57.135 54.840 -0.001 0.000 0.752 114 L CB -1.193 40.853 42.059 -0.022 0.000 0.896 114 L HN 0.277 nan 8.230 nan 0.000 0.433 115 A N -0.973 121.835 122.820 -0.021 0.000 1.940 115 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 115 A C 2.350 179.907 177.584 -0.045 0.000 1.176 115 A CA 2.449 54.493 52.037 0.011 0.000 0.631 115 A CB -1.423 17.547 19.000 -0.050 0.000 0.814 115 A HN 0.666 nan 8.150 nan 0.000 0.446 116 T N -2.288 112.134 114.554 -0.221 0.000 2.849 116 T HA -0.142 4.207 4.350 -0.000 0.000 0.270 116 T C 1.399 175.952 174.700 -0.244 0.000 1.066 116 T CA 1.526 63.361 62.100 -0.441 0.000 1.130 116 T CB -0.308 68.180 68.868 -0.633 0.000 0.864 116 T HN 0.444 nan 8.240 nan 0.000 0.481 117 E N 0.574 120.634 120.200 -0.233 0.000 2.208 117 E HA 0.071 4.421 4.350 -0.000 0.000 0.193 117 E C 1.018 177.198 176.600 -0.699 0.000 0.988 117 E CA 0.732 56.849 56.400 -0.471 0.000 0.828 117 E CB -0.218 29.090 29.700 -0.655 0.000 0.763 117 E HN 0.735 nan 8.360 nan 0.000 0.478 118 F N -0.264 119.643 119.950 -0.072 0.000 2.682 118 F HA 0.092 4.618 4.527 -0.000 0.000 0.308 118 F C 1.904 177.678 175.800 -0.044 0.000 1.093 118 F CA 0.084 58.052 58.000 -0.053 0.000 1.244 118 F CB 0.325 39.290 39.000 -0.058 0.000 1.052 118 F HN -0.114 nan 8.300 nan 0.000 0.573 119 S N -0.967 114.780 115.700 0.078 0.000 2.593 119 S HA 0.432 4.902 4.470 -0.000 0.000 0.217 119 S C 1.586 176.219 174.600 0.054 0.000 0.966 119 S CA 0.353 58.592 58.200 0.065 0.000 0.914 119 S CB -0.542 62.689 63.200 0.052 0.000 0.776 119 S HN 0.528 nan 8.310 nan 0.000 0.523 120 G N 3.642 112.463 108.800 0.035 0.000 2.591 120 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.298 120 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.298 120 G C 0.402 175.322 174.900 0.032 0.000 1.195 120 G CA 0.343 45.456 45.100 0.022 0.000 0.989 120 G HN 0.913 nan 8.290 nan 0.000 0.551 121 N N -0.348 118.358 118.700 0.011 0.000 2.314 121 N HA 0.330 5.070 4.740 -0.000 0.000 0.200 121 N C 0.211 175.708 175.510 -0.022 0.000 1.135 121 N CA 0.184 53.222 53.050 -0.019 0.000 0.835 121 N CB 0.533 38.998 38.487 -0.037 0.000 0.989 121 N HN 0.481 nan 8.380 nan 0.000 0.478 122 V N 2.285 122.219 119.914 0.033 0.000 2.432 122 V HA 0.295 4.415 4.120 -0.000 0.000 0.271 122 V C -2.054 174.115 176.094 0.125 0.000 1.046 122 V CA -1.781 60.543 62.300 0.040 0.000 0.945 122 V CB 0.861 32.705 31.823 0.036 0.000 0.992 122 V HN 0.161 nan 8.190 nan 0.000 0.471 123 P HA 0.178 nan 4.420 nan 0.000 0.271 123 P C -0.610 176.823 177.300 0.222 0.000 1.216 123 P CA -0.015 63.166 63.100 0.136 0.000 0.771 123 P CB 0.779 32.459 31.700 -0.033 0.000 0.864 124 V N 5.082 125.236 119.914 0.399 0.000 2.398 124 V HA 0.291 4.411 4.120 -0.000 0.000 0.286 124 V C 0.228 176.375 176.094 0.087 0.000 1.026 124 V CA -0.437 61.921 62.300 0.096 0.000 0.868 124 V CB 1.078 32.849 31.823 -0.088 0.000 0.982 124 V HN 0.324 nan 8.190 nan 0.000 0.443 125 L N 4.453 125.684 121.223 0.013 0.000 2.319 125 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 125 L C 0.097 176.953 176.870 -0.023 0.000 1.005 125 L CA -0.197 54.659 54.840 0.027 0.000 0.828 125 L CB 1.502 43.572 42.059 0.019 0.000 1.227 125 L HN 0.568 nan 8.230 nan 0.000 0.415 126 N N 2.341 121.069 118.700 0.046 0.000 2.442 126 N HA 0.343 5.083 4.740 -0.000 0.000 0.265 126 N C 0.291 175.869 175.510 0.114 0.000 1.138 126 N CA 0.149 53.221 53.050 0.035 0.000 0.956 126 N CB 1.613 40.137 38.487 0.063 0.000 1.067 126 N HN 0.679 nan 8.380 nan 0.000 0.474 127 A N 2.389 125.201 122.820 -0.014 0.000 2.500 127 A HA 0.559 4.878 4.320 -0.000 0.000 0.267 127 A C 0.518 177.930 177.584 -0.287 0.000 1.290 127 A CA 0.204 52.273 52.037 0.053 0.000 0.928 127 A CB -0.661 18.338 19.000 -0.002 0.000 1.066 127 A HN 0.885 nan 8.150 nan 0.000 0.516 128 G N -0.241 108.437 108.800 -0.203 0.000 2.677 128 G HA2 0.281 4.241 3.960 -0.000 0.000 0.321 128 G HA3 0.281 4.241 3.960 -0.000 0.000 0.321 128 G C -1.739 173.129 174.900 -0.053 0.000 1.449 128 G CA -0.472 44.505 45.100 -0.206 0.000 1.064 128 G HN 0.129 nan 8.290 nan 0.000 0.627 129 D N 1.417 121.819 120.400 0.003 0.000 2.438 129 D HA 0.621 5.261 4.640 -0.000 0.000 0.257 129 D C 1.191 177.517 176.300 0.043 0.000 1.148 129 D CA 1.667 55.681 54.000 0.023 0.000 0.902 129 D CB 0.510 41.317 40.800 0.011 0.000 1.062 129 D HN 1.551 nan 8.370 nan 0.000 0.518 130 G N 2.563 111.404 108.800 0.068 0.000 2.596 130 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.295 130 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.295 130 G C 0.514 175.447 174.900 0.056 0.000 1.240 130 G CA 0.256 45.393 45.100 0.063 0.000 0.985 130 G HN 0.985 nan 8.290 nan 0.000 0.555 131 S N 0.845 116.579 115.700 0.056 0.000 2.489 131 S HA 0.440 4.909 4.470 -0.000 0.000 0.237 131 S C 0.647 175.302 174.600 0.091 0.000 1.220 131 S CA 0.684 58.928 58.200 0.073 0.000 1.231 131 S CB -0.041 63.198 63.200 0.064 0.000 0.900 131 S HN 0.989 nan 8.310 nan 0.000 0.492 132 N N 1.358 120.108 118.700 0.084 0.000 2.690 132 N HA 0.248 4.988 4.740 -0.000 0.000 0.187 132 N C -0.443 175.134 175.510 0.111 0.000 1.295 132 N CA 0.216 53.318 53.050 0.086 0.000 1.100 132 N CB 0.339 38.856 38.487 0.050 0.000 1.336 132 N HN 0.295 nan 8.380 nan 0.000 0.458 133 Q N -0.134 119.728 119.800 0.104 0.000 2.266 133 Q HA 0.240 4.579 4.340 -0.000 0.000 0.261 133 Q C -1.127 174.996 176.000 0.205 0.000 0.985 133 Q CA -0.282 55.603 55.803 0.137 0.000 0.873 133 Q CB 1.537 30.336 28.738 0.103 0.000 1.306 133 Q HN 0.613 nan 8.270 nan 0.000 0.447 134 H N 2.564 121.692 119.070 0.097 0.000 2.600 134 H HA 0.260 4.815 4.556 -0.000 0.000 0.224 134 H C -2.153 173.247 175.328 0.120 0.000 1.413 134 H CA -2.157 53.961 56.048 0.116 0.000 1.401 134 H CB 0.499 30.334 29.762 0.121 0.000 1.772 134 H HN 0.266 nan 8.280 nan 0.000 0.528 135 P HA -0.206 nan 4.420 nan 0.000 0.217 135 P C 1.593 178.948 177.300 0.091 0.000 1.158 135 P CA 2.634 65.829 63.100 0.157 0.000 0.887 135 P CB 0.014 31.813 31.700 0.165 0.000 0.792 136 T N -3.333 111.299 114.554 0.129 0.000 2.915 136 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 136 T C 1.963 176.592 174.700 -0.118 0.000 1.071 136 T CA 1.200 63.309 62.100 0.015 0.000 1.132 136 T CB -0.816 68.048 68.868 -0.006 0.000 0.878 136 T HN 0.060 nan 8.240 nan 0.000 0.479 137 Q N 1.755 121.341 119.800 -0.357 0.000 2.020 137 Q HA -0.087 4.253 4.340 -0.000 0.000 0.202 137 Q C 2.341 178.285 176.000 -0.092 0.000 0.982 137 Q CA 2.352 57.959 55.803 -0.328 0.000 0.838 137 Q CB -1.156 27.224 28.738 -0.597 0.000 0.899 137 Q HN 0.549 nan 8.270 nan 0.000 0.423 138 T N 1.068 115.579 114.554 -0.072 0.000 2.759 138 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 138 T C 1.711 176.439 174.700 0.047 0.000 1.042 138 T CA 1.413 63.518 62.100 0.008 0.000 1.140 138 T CB -0.258 68.627 68.868 0.028 0.000 0.864 138 T HN 0.218 nan 8.240 nan 0.000 0.455 139 L N 0.729 121.978 121.223 0.045 0.000 2.056 139 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 139 L C 2.443 179.381 176.870 0.112 0.000 1.078 139 L CA 1.060 55.944 54.840 0.074 0.000 0.749 139 L CB -0.714 41.375 42.059 0.050 0.000 0.901 139 L HN 0.322 nan 8.230 nan 0.000 0.433 140 L N -2.928 118.348 121.223 0.088 0.000 2.201 140 L HA -0.054 4.286 4.340 -0.000 0.000 0.212 140 L C 1.795 178.801 176.870 0.227 0.000 1.105 140 L CA 1.514 56.455 54.840 0.168 0.000 0.775 140 L CB -0.834 41.289 42.059 0.106 0.000 0.913 140 L HN 0.036 nan 8.230 nan 0.000 0.440 141 D N 0.803 121.306 120.400 0.171 0.000 2.097 141 D HA -0.116 4.523 4.640 -0.000 0.000 0.197 141 D C 2.381 178.766 176.300 0.142 0.000 0.984 141 D CA 1.684 55.798 54.000 0.190 0.000 0.826 141 D CB -0.318 40.577 40.800 0.157 0.000 0.973 141 D HN 0.381 nan 8.370 nan 0.000 0.460 142 L N -0.123 121.165 121.223 0.109 0.000 2.012 142 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 142 L C 2.398 179.338 176.870 0.116 0.000 1.073 142 L CA 0.868 55.744 54.840 0.061 0.000 0.748 142 L CB -0.413 41.681 42.059 0.059 0.000 0.891 142 L HN -0.012 nan 8.230 nan 0.000 0.431 143 F N 0.855 120.826 119.950 0.036 0.000 2.161 143 F HA -0.246 4.280 4.527 -0.000 0.000 0.300 143 F C 2.436 178.276 175.800 0.068 0.000 1.089 143 F CA 2.018 60.050 58.000 0.052 0.000 1.282 143 F CB -0.552 38.501 39.000 0.089 0.000 1.010 143 F HN -0.028 nan 8.300 nan 0.000 0.485 144 T N 1.296 115.909 114.554 0.097 0.000 2.777 144 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 144 T C 2.196 176.860 174.700 -0.060 0.000 1.040 144 T CA 1.816 63.937 62.100 0.035 0.000 1.141 144 T CB -0.400 68.606 68.868 0.229 0.000 0.868 144 T HN 0.266 nan 8.240 nan 0.000 0.444 145 I N 1.132 121.683 120.570 -0.032 0.000 2.179 145 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 145 I C 2.892 178.917 176.117 -0.153 0.000 1.088 145 I CA 1.446 62.694 61.300 -0.086 0.000 1.357 145 I CB -0.477 37.480 38.000 -0.072 0.000 1.051 145 I HN 0.297 nan 8.210 nan 0.000 0.409 146 Q N 1.086 120.791 119.800 -0.157 0.000 2.124 146 Q HA -0.263 4.077 4.340 -0.000 0.000 0.202 146 Q C 2.081 177.954 176.000 -0.211 0.000 0.977 146 Q CA 1.675 57.378 55.803 -0.168 0.000 0.850 146 Q CB -0.015 28.655 28.738 -0.114 0.000 0.901 146 Q HN 0.507 nan 8.270 nan 0.000 0.429 147 E N -0.645 119.364 120.200 -0.319 0.000 2.072 147 E HA -0.139 4.210 4.350 -0.000 0.000 0.191 147 E C 1.911 178.355 176.600 -0.261 0.000 0.985 147 E CA 1.695 57.892 56.400 -0.337 0.000 0.801 147 E CB 0.164 29.575 29.700 -0.482 0.000 0.750 147 E HN 0.612 nan 8.360 nan 0.000 0.452 148 T N -1.666 112.713 114.554 -0.293 0.000 2.978 148 T HA -0.005 4.345 4.350 -0.000 0.000 0.262 148 T C 1.649 176.182 174.700 -0.278 0.000 1.063 148 T CA 0.314 62.188 62.100 -0.376 0.000 1.140 148 T CB 0.195 68.714 68.868 -0.582 0.000 0.886 148 T HN -0.045 nan 8.240 nan 0.000 0.470 149 Q N 0.637 120.309 119.800 -0.214 0.000 2.384 149 Q HA 0.308 4.647 4.340 -0.000 0.000 0.207 149 Q C 1.910 177.832 176.000 -0.130 0.000 0.904 149 Q CA 0.748 56.456 55.803 -0.160 0.000 0.933 149 Q CB 0.166 28.821 28.738 -0.138 0.000 1.077 149 Q HN 0.749 nan 8.270 nan 0.000 0.522 150 G N 2.533 111.251 108.800 -0.135 0.000 2.168 150 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.263 150 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.263 150 G C 0.208 175.059 174.900 -0.081 0.000 0.977 150 G CA 0.914 45.952 45.100 -0.103 0.000 0.659 150 G HN 0.457 nan 8.290 nan 0.000 0.533 151 R N -2.422 118.019 120.500 -0.099 0.000 2.728 151 R HA 0.628 4.968 4.340 -0.000 0.000 0.274 151 R C -0.236 175.977 176.300 -0.146 0.000 1.032 151 R CA -0.994 55.053 56.100 -0.087 0.000 0.866 151 R CB 0.109 30.377 30.300 -0.054 0.000 1.263 151 R HN 0.183 nan 8.270 nan 0.000 0.475 152 L N -0.019 121.090 121.223 -0.190 0.000 2.906 152 L HA 0.388 4.728 4.340 -0.000 0.000 0.255 152 L C -0.574 176.159 176.870 -0.227 0.000 1.166 152 L CA -0.145 54.465 54.840 -0.385 0.000 0.977 152 L CB 0.354 41.839 42.059 -0.957 0.000 1.313 152 L HN 0.542 nan 8.230 nan 0.000 0.549 153 D N -0.246 120.124 120.400 -0.051 0.000 2.374 153 D HA 0.246 4.886 4.640 -0.000 0.000 0.239 153 D C -0.267 176.006 176.300 -0.044 0.000 0.991 153 D CA -0.690 53.326 54.000 0.028 0.000 0.960 153 D CB 1.268 42.121 40.800 0.088 0.000 1.284 153 D HN -0.093 nan 8.370 nan 0.000 0.512 154 N N -0.264 118.399 118.700 -0.061 0.000 2.714 154 N HA -0.192 4.548 4.740 -0.000 0.000 0.253 154 N C -1.037 174.380 175.510 -0.155 0.000 1.024 154 N CA 0.311 53.298 53.050 -0.107 0.000 0.726 154 N CB -1.045 37.414 38.487 -0.046 0.000 0.908 154 N HN 0.294 nan 8.380 nan 0.000 0.542 155 L N -0.342 120.736 121.223 -0.241 0.000 2.303 155 L HA 0.507 4.847 4.340 -0.000 0.000 0.266 155 L C 0.405 177.015 176.870 -0.434 0.000 1.011 155 L CA -0.924 53.779 54.840 -0.227 0.000 0.818 155 L CB 1.267 43.218 42.059 -0.178 0.000 1.326 155 L HN 0.229 nan 8.230 nan 0.000 0.435 156 H N 1.237 120.249 119.070 -0.097 0.000 2.595 156 H HA 0.425 4.981 4.556 -0.000 0.000 0.313 156 H C -1.201 174.123 175.328 -0.008 0.000 1.023 156 H CA -0.364 55.694 56.048 0.017 0.000 1.218 156 H CB 1.789 31.600 29.762 0.082 0.000 1.403 156 H HN 0.148 nan 8.280 nan 0.000 0.477 157 V N 2.651 122.564 119.914 -0.001 0.000 2.409 157 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 157 V C 0.237 176.463 176.094 0.221 0.000 1.020 157 V CA -0.879 61.433 62.300 0.021 0.000 0.848 157 V CB 1.418 33.169 31.823 -0.119 0.000 0.990 157 V HN 0.835 nan 8.190 nan 0.000 0.430 158 A N 6.039 128.963 122.820 0.173 0.000 2.317 158 A HA 0.928 5.248 4.320 -0.000 0.000 0.327 158 A C -0.527 177.202 177.584 0.242 0.000 1.178 158 A CA -0.568 51.587 52.037 0.196 0.000 0.817 158 A CB 0.971 19.972 19.000 0.002 0.000 1.189 158 A HN 0.829 nan 8.150 nan 0.000 0.489 159 M N 2.686 122.480 119.600 0.323 0.000 2.181 159 M HA 0.473 4.953 4.480 -0.000 0.000 0.323 159 M C -1.117 175.311 176.300 0.213 0.000 1.004 159 M CA -0.345 55.149 55.300 0.324 0.000 0.941 159 M CB 2.025 34.852 32.600 0.379 0.000 1.579 159 M HN 0.398 nan 8.290 nan 0.000 0.427 160 V N 2.471 122.453 119.914 0.114 0.000 2.680 160 V HA 0.998 5.118 4.120 -0.000 0.000 0.309 160 V C 0.408 176.523 176.094 0.034 0.000 1.052 160 V CA -0.044 62.253 62.300 -0.005 0.000 0.908 160 V CB 1.439 33.227 31.823 -0.059 0.000 1.001 160 V HN 1.095 nan 8.190 nan 0.000 0.431 161 G N 3.556 112.400 108.800 0.073 0.000 2.460 161 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.207 161 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.207 161 G C -0.734 174.253 174.900 0.145 0.000 1.170 161 G CA -0.010 45.191 45.100 0.167 0.000 1.151 161 G HN 0.821 nan 8.290 nan 0.000 0.575 162 D N 1.714 122.179 120.400 0.108 0.000 2.402 162 D HA 0.430 5.070 4.640 -0.000 0.000 0.235 162 D C 1.620 177.938 176.300 0.030 0.000 1.226 162 D CA -0.157 53.895 54.000 0.087 0.000 0.918 162 D CB -0.013 40.860 40.800 0.122 0.000 1.043 162 D HN 0.408 nan 8.370 nan 0.000 0.506 163 L N 3.148 124.372 121.223 0.001 0.000 2.585 163 L HA 0.131 4.471 4.340 -0.000 0.000 0.226 163 L C 2.155 179.022 176.870 -0.005 0.000 1.113 163 L CA -0.034 54.784 54.840 -0.038 0.000 0.876 163 L CB 0.063 42.067 42.059 -0.092 0.000 1.072 163 L HN 0.308 nan 8.230 nan 0.000 0.468 164 K N 0.484 120.821 120.400 -0.105 0.000 2.044 164 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 164 K C 1.464 177.941 176.600 -0.206 0.000 1.045 164 K CA 1.342 57.477 56.287 -0.253 0.000 0.951 164 K CB 0.073 32.209 32.500 -0.607 0.000 0.738 164 K HN 0.120 nan 8.250 nan 0.000 0.443 165 Y N -0.061 120.269 120.300 0.051 0.000 2.457 165 Y HA 0.294 4.844 4.550 -0.000 0.000 0.263 165 Y C 0.900 176.741 175.900 -0.099 0.000 1.164 165 Y CA -0.219 57.892 58.100 0.018 0.000 1.274 165 Y CB 0.440 38.920 38.460 0.033 0.000 1.097 165 Y HN 0.032 nan 8.280 nan 0.000 0.523 166 G N 1.321 110.053 108.800 -0.113 0.000 2.716 166 G HA2 0.076 4.036 3.960 -0.000 0.000 0.296 166 G HA3 0.076 4.036 3.960 -0.000 0.000 0.296 166 G C 0.877 175.432 174.900 -0.575 0.000 0.811 166 G CA -0.405 44.568 45.100 -0.213 0.000 1.758 166 G HN 0.103 nan 8.290 nan 0.000 0.512 167 R N 1.340 121.653 120.500 -0.311 0.000 2.115 167 R HA -0.106 4.234 4.340 -0.000 0.000 0.230 167 R C 2.680 178.924 176.300 -0.094 0.000 1.111 167 R CA 1.608 57.577 56.100 -0.219 0.000 0.976 167 R CB -1.143 29.179 30.300 0.037 0.000 0.870 167 R HN 0.651 nan 8.270 nan 0.000 0.445 168 T N -0.566 113.970 114.554 -0.028 0.000 2.833 168 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 168 T C 2.052 176.733 174.700 -0.031 0.000 1.054 168 T CA 1.532 63.652 62.100 0.034 0.000 1.135 168 T CB -0.628 68.322 68.868 0.137 0.000 0.869 168 T HN 0.165 nan 8.240 nan 0.000 0.466 169 V N -0.924 118.943 119.914 -0.078 0.000 2.649 169 V HA 0.051 4.171 4.120 -0.000 0.000 0.248 169 V C 2.334 178.393 176.094 -0.057 0.000 1.054 169 V CA 1.057 63.292 62.300 -0.108 0.000 1.073 169 V CB -1.389 30.410 31.823 -0.039 0.000 0.699 169 V HN 0.567 nan 8.190 nan 0.000 0.463 170 H N 0.574 119.579 119.070 -0.109 0.000 2.387 170 H HA -0.077 4.479 4.556 -0.000 0.000 0.299 170 H C 2.659 177.928 175.328 -0.097 0.000 1.090 170 H CA 1.369 57.325 56.048 -0.152 0.000 1.332 170 H CB 0.074 29.797 29.762 -0.065 0.000 1.386 170 H HN 0.438 nan 8.280 nan 0.000 0.516 171 S N 0.504 116.258 115.700 0.091 0.000 2.357 171 S HA -0.102 4.368 4.470 -0.000 0.000 0.221 171 S C 2.062 176.676 174.600 0.023 0.000 1.031 171 S CA 0.596 58.835 58.200 0.065 0.000 0.982 171 S CB -0.174 63.069 63.200 0.071 0.000 0.853 171 S HN 0.162 nan 8.310 nan 0.000 0.458 172 L N 1.777 122.980 121.223 -0.034 0.000 2.046 172 L HA -0.076 4.263 4.340 -0.000 0.000 0.208 172 L C 2.207 179.075 176.870 -0.003 0.000 1.077 172 L CA 1.956 56.756 54.840 -0.066 0.000 0.747 172 L CB -1.431 40.471 42.059 -0.262 0.000 0.896 172 L HN 0.234 nan 8.230 nan 0.000 0.432 173 T N -0.651 113.875 114.554 -0.047 0.000 2.746 173 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 173 T C 1.808 176.462 174.700 -0.076 0.000 1.039 173 T CA 1.474 63.501 62.100 -0.121 0.000 1.142 173 T CB -0.154 68.526 68.868 -0.313 0.000 0.866 173 T HN 0.456 nan 8.240 nan 0.000 0.444 174 Q N 0.710 120.486 119.800 -0.041 0.000 2.084 174 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 174 Q C 2.772 178.824 176.000 0.085 0.000 0.978 174 Q CA 1.485 57.292 55.803 0.006 0.000 0.844 174 Q CB -0.416 28.338 28.738 0.027 0.000 0.898 174 Q HN 0.574 nan 8.270 nan 0.000 0.426 175 A N 1.300 124.190 122.820 0.117 0.000 1.858 175 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 175 A C 2.228 180.016 177.584 0.340 0.000 1.190 175 A CA 1.028 53.186 52.037 0.202 0.000 0.617 175 A CB -0.829 18.277 19.000 0.176 0.000 0.827 175 A HN 0.271 nan 8.150 nan 0.000 0.443 176 L N -0.569 120.824 121.223 0.284 0.000 2.081 176 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 176 L C 2.887 180.029 176.870 0.454 0.000 1.080 176 L CA 1.102 56.157 54.840 0.358 0.000 0.754 176 L CB -0.445 41.839 42.059 0.374 0.000 0.893 176 L HN 0.445 nan 8.230 nan 0.000 0.433 177 A N -0.708 122.311 122.820 0.332 0.000 2.248 177 A HA -0.153 4.167 4.320 -0.000 0.000 0.210 177 A C 2.116 179.802 177.584 0.171 0.000 1.174 177 A CA 1.120 53.303 52.037 0.243 0.000 0.750 177 A CB -0.334 18.734 19.000 0.112 0.000 0.780 177 A HN 0.343 nan 8.150 nan 0.000 0.478 178 K N -1.442 119.068 120.400 0.185 0.000 2.426 178 K HA 0.191 4.511 4.320 -0.000 0.000 0.193 178 K C -0.699 175.724 176.600 -0.294 0.000 1.028 178 K CA -0.039 56.217 56.287 -0.051 0.000 1.047 178 K CB 0.117 32.547 32.500 -0.117 0.000 0.821 178 K HN 0.469 nan 8.250 nan 0.000 0.513 179 F N 0.925 120.908 119.950 0.054 0.000 2.457 179 F HA 0.211 4.738 4.527 0.000 0.000 0.330 179 F C 0.593 176.412 175.800 0.031 0.000 1.069 179 F CA -1.158 56.864 58.000 0.037 0.000 1.009 179 F CB 0.627 39.645 39.000 0.030 0.000 1.276 179 F HN -0.196 nan 8.300 nan 0.000 0.492 180 D N 0.156 120.674 120.400 0.196 0.000 2.225 180 D HA 0.330 4.970 4.640 -0.000 0.000 0.248 180 D C 0.711 177.051 176.300 0.066 0.000 1.096 180 D CA 0.436 54.495 54.000 0.098 0.000 0.863 180 D CB 1.342 42.179 40.800 0.061 0.000 1.156 180 D HN 0.788 nan 8.370 nan 0.000 0.450 181 G N 2.536 111.358 108.800 0.037 0.000 2.356 181 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.296 181 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.296 181 G C 0.188 175.034 174.900 -0.091 0.000 1.022 181 G CA 0.094 45.185 45.100 -0.015 0.000 0.961 181 G HN 0.575 nan 8.290 nan 0.000 0.510 182 N N -0.800 117.848 118.700 -0.086 0.000 2.503 182 N HA 0.569 5.309 4.740 -0.000 0.000 0.267 182 N C 0.346 175.600 175.510 -0.427 0.000 1.214 182 N CA -0.310 52.558 53.050 -0.303 0.000 0.959 182 N CB 0.512 38.794 38.487 -0.342 0.000 1.142 182 N HN 0.425 nan 8.380 nan 0.000 0.455 183 R N 1.563 121.648 120.500 -0.692 0.000 2.513 183 R HA 0.430 4.770 4.340 -0.000 0.000 0.301 183 R C -1.980 173.856 176.300 -0.775 0.000 0.968 183 R CA -0.398 55.349 56.100 -0.588 0.000 0.872 183 R CB 0.378 30.331 30.300 -0.577 0.000 1.177 183 R HN 0.370 nan 8.270 nan 0.000 0.444 184 F N 3.892 123.595 119.950 -0.412 0.000 2.492 184 F HA 0.492 5.019 4.527 -0.000 0.000 0.327 184 F C -0.685 174.640 175.800 -0.791 0.000 1.079 184 F CA -0.550 57.167 58.000 -0.472 0.000 0.967 184 F CB 1.556 40.265 39.000 -0.486 0.000 1.169 184 F HN 0.380 nan 8.300 nan 0.000 0.472 185 Y N 2.122 122.299 120.300 -0.205 0.000 2.326 185 Y HA 0.509 5.059 4.550 0.000 0.000 0.329 185 Y C -1.154 174.711 175.900 -0.058 0.000 0.973 185 Y CA -1.380 56.638 58.100 -0.137 0.000 1.162 185 Y CB 0.869 39.212 38.460 -0.195 0.000 1.147 185 Y HN 0.280 nan 8.280 nan 0.000 0.456 186 F N 4.207 124.402 119.950 0.408 0.000 2.388 186 F HA 0.532 5.059 4.527 -0.000 0.000 0.358 186 F C -0.232 175.664 175.800 0.161 0.000 1.122 186 F CA -1.719 56.412 58.000 0.217 0.000 1.056 186 F CB 0.798 39.869 39.000 0.119 0.000 1.155 186 F HN 0.299 nan 8.300 nan 0.000 0.461 187 I N 3.819 124.508 120.570 0.199 0.000 2.412 187 I HA 0.635 4.805 4.170 -0.000 0.000 0.279 187 I C -0.107 175.865 176.117 -0.242 0.000 1.063 187 I CA -0.082 61.135 61.300 -0.138 0.000 1.193 187 I CB 0.476 38.235 38.000 -0.401 0.000 1.370 187 I HN 0.681 nan 8.210 nan 0.000 0.479 188 A N 6.600 129.443 122.820 0.039 0.000 2.556 188 A HA 0.931 5.251 4.320 -0.000 0.000 0.294 188 A C -2.857 174.962 177.584 0.391 0.000 1.091 188 A CA -1.684 50.493 52.037 0.234 0.000 0.704 188 A CB 1.280 20.355 19.000 0.125 0.000 1.300 188 A HN 0.262 nan 8.150 nan 0.000 0.406 189 P HA 0.134 nan 4.420 nan 0.000 0.267 189 P C -0.111 177.274 177.300 0.141 0.000 1.200 189 P CA 0.137 63.370 63.100 0.222 0.000 0.772 189 P CB 0.541 32.320 31.700 0.132 0.000 0.855 190 D N 1.819 122.284 120.400 0.108 0.000 2.149 190 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 190 D C 1.778 178.107 176.300 0.048 0.000 1.001 190 D CA 2.086 56.133 54.000 0.077 0.000 0.849 190 D CB -0.441 40.395 40.800 0.060 0.000 0.939 190 D HN 0.398 nan 8.370 nan 0.000 0.449 191 A N -0.570 122.275 122.820 0.041 0.000 2.123 191 A HA 0.109 4.429 4.320 -0.000 0.000 0.214 191 A C 1.450 179.025 177.584 -0.015 0.000 1.152 191 A CA 0.291 52.340 52.037 0.019 0.000 0.728 191 A CB 0.028 19.047 19.000 0.032 0.000 0.814 191 A HN 0.228 nan 8.150 nan 0.000 0.464 192 L N 0.316 121.539 121.223 0.000 0.000 3.141 192 L HA 0.391 4.731 4.340 -0.000 0.000 0.263 192 L C 0.631 177.472 176.870 -0.048 0.000 1.312 192 L CA -0.586 54.224 54.840 -0.051 0.000 1.012 192 L CB 0.211 42.279 42.059 0.016 0.000 1.408 192 L HN 0.295 nan 8.230 nan 0.000 0.559 193 A N 0.549 123.334 122.820 -0.057 0.000 2.406 193 A HA 0.341 4.661 4.320 -0.000 0.000 0.243 193 A C 0.157 177.647 177.584 -0.157 0.000 1.082 193 A CA -0.358 51.636 52.037 -0.070 0.000 0.786 193 A CB 0.353 19.323 19.000 -0.049 0.000 1.029 193 A HN 0.367 nan 8.150 nan 0.000 0.495 194 M N 2.063 121.511 119.600 -0.253 0.000 2.249 194 M HA 0.277 4.757 4.480 -0.000 0.000 0.340 194 M C -2.171 173.872 176.300 -0.429 0.000 1.166 194 M CA -1.320 53.712 55.300 -0.447 0.000 1.115 194 M CB 0.023 32.083 32.600 -0.900 0.000 1.606 194 M HN 0.342 nan 8.290 nan 0.000 0.448 195 P HA 0.118 nan 4.420 nan 0.000 0.278 195 P C -0.104 176.934 177.300 -0.437 0.000 1.238 195 P CA -0.327 62.538 63.100 -0.393 0.000 0.794 195 P CB 0.621 32.110 31.700 -0.352 0.000 0.955 196 Q N 1.413 121.076 119.800 -0.228 0.000 2.096 196 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 196 Q C 2.019 177.900 176.000 -0.199 0.000 0.993 196 Q CA 2.155 57.854 55.803 -0.174 0.000 0.862 196 Q CB -1.167 27.541 28.738 -0.050 0.000 0.915 196 Q HN 0.688 nan 8.270 nan 0.000 0.416 197 Y N -0.807 119.373 120.300 -0.200 0.000 2.256 197 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 197 Y C 1.850 177.618 175.900 -0.220 0.000 1.155 197 Y CA 1.020 59.013 58.100 -0.177 0.000 1.203 197 Y CB -0.486 37.883 38.460 -0.151 0.000 0.980 197 Y HN 0.005 nan 8.280 nan 0.000 0.530 198 I N 0.673 120.570 120.570 -1.122 0.000 2.286 198 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 198 I C 2.414 178.171 176.117 -0.600 0.000 1.104 198 I CA 1.040 61.787 61.300 -0.920 0.000 1.397 198 I CB -0.882 36.479 38.000 -1.065 0.000 1.072 198 I HN 0.396 nan 8.210 nan 0.000 0.417 199 L N 0.377 121.224 121.223 -0.626 0.000 2.017 199 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 199 L C 2.231 178.986 176.870 -0.191 0.000 1.073 199 L CA 1.403 55.873 54.840 -0.618 0.000 0.745 199 L CB -0.894 40.762 42.059 -0.672 0.000 0.894 199 L HN 0.186 nan 8.230 nan 0.000 0.432 200 D N -0.148 120.182 120.400 -0.116 0.000 2.149 200 D HA -0.224 4.416 4.640 -0.000 0.000 0.198 200 D C 2.163 178.465 176.300 0.004 0.000 0.990 200 D CA 1.144 55.145 54.000 0.002 0.000 0.839 200 D CB -0.182 40.625 40.800 0.012 0.000 0.948 200 D HN 0.222 nan 8.370 nan 0.000 0.460 201 M N 0.402 119.965 119.600 -0.062 0.000 2.117 201 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 201 M C 1.979 178.270 176.300 -0.014 0.000 1.065 201 M CA 1.182 56.456 55.300 -0.043 0.000 1.114 201 M CB -0.339 32.203 32.600 -0.097 0.000 1.361 201 M HN 0.017 nan 8.290 nan 0.000 0.408 202 L N -0.154 121.051 121.223 -0.030 0.000 2.056 202 L HA -0.227 4.112 4.340 -0.000 0.000 0.207 202 L C 2.113 179.090 176.870 0.177 0.000 1.078 202 L CA 1.127 56.014 54.840 0.079 0.000 0.749 202 L CB -1.049 41.070 42.059 0.099 0.000 0.901 202 L HN 0.227 nan 8.230 nan 0.000 0.433 203 D N 0.120 120.652 120.400 0.220 0.000 2.104 203 D HA -0.243 4.397 4.640 -0.000 0.000 0.194 203 D C 1.984 178.344 176.300 0.101 0.000 0.994 203 D CA 1.243 55.356 54.000 0.188 0.000 0.830 203 D CB -0.150 40.766 40.800 0.193 0.000 0.959 203 D HN 0.348 nan 8.370 nan 0.000 0.452 204 E N 0.696 120.942 120.200 0.078 0.000 2.114 204 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 204 E C 1.124 177.752 176.600 0.046 0.000 1.008 204 E CA 1.184 57.614 56.400 0.050 0.000 0.810 204 E CB 0.135 29.858 29.700 0.037 0.000 0.739 204 E HN 0.209 nan 8.360 nan 0.000 0.456 205 K N -0.932 119.501 120.400 0.055 0.000 2.417 205 K HA 0.105 4.425 4.320 -0.000 0.000 0.196 205 K C 0.762 177.398 176.600 0.059 0.000 1.023 205 K CA 0.467 56.785 56.287 0.052 0.000 1.122 205 K CB 0.703 33.238 32.500 0.057 0.000 0.850 205 K HN 0.277 nan 8.250 nan 0.000 0.521 206 G N 2.548 111.386 108.800 0.065 0.000 2.305 206 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.287 206 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.287 206 G C -0.017 174.923 174.900 0.066 0.000 1.036 206 G CA 0.038 45.170 45.100 0.053 0.000 0.887 206 G HN 0.317 nan 8.290 nan 0.000 0.505 207 I N 1.095 121.735 120.570 0.117 0.000 2.315 207 I HA 0.501 4.670 4.170 -0.000 0.000 0.291 207 I C 1.022 177.256 176.117 0.195 0.000 1.006 207 I CA -0.422 60.977 61.300 0.165 0.000 1.265 207 I CB 1.425 39.567 38.000 0.237 0.000 1.387 207 I HN 0.334 nan 8.210 nan 0.000 0.475 208 A N 8.971 131.844 122.820 0.088 0.000 2.440 208 A HA 0.425 4.745 4.320 -0.000 0.000 0.251 208 A C -0.670 176.954 177.584 0.067 0.000 1.089 208 A CA -0.178 51.847 52.037 -0.021 0.000 0.779 208 A CB 0.254 19.188 19.000 -0.109 0.000 1.022 208 A HN 0.848 nan 8.150 nan 0.000 0.492 209 W N 0.817 122.053 121.300 -0.107 0.000 3.083 209 W HA 0.699 5.359 4.660 -0.000 0.000 0.333 209 W C -0.893 175.507 176.519 -0.199 0.000 1.217 209 W CA -0.405 56.803 57.345 -0.227 0.000 1.170 209 W CB 0.934 30.266 29.460 -0.213 0.000 1.437 209 W HN 1.153 nan 8.180 nan 0.000 0.557 210 S N 1.055 116.777 115.700 0.036 0.000 2.550 210 S HA 0.732 5.202 4.470 -0.000 0.000 0.270 210 S C -1.316 173.409 174.600 0.209 0.000 1.145 210 S CA -1.028 57.196 58.200 0.041 0.000 0.852 210 S CB 1.899 65.079 63.200 -0.033 0.000 1.119 210 S HN 0.529 nan 8.310 nan 0.000 0.465 211 L N 3.057 124.312 121.223 0.053 0.000 2.307 211 L HA 0.616 4.955 4.340 -0.000 0.000 0.282 211 L C -0.036 176.626 176.870 -0.346 0.000 1.051 211 L CA -0.657 54.238 54.840 0.092 0.000 0.804 211 L CB 0.769 42.941 42.059 0.188 0.000 1.197 211 L HN 0.688 nan 8.230 nan 0.000 0.431 212 H N 0.946 120.107 119.070 0.151 0.000 2.747 212 H HA 0.297 4.853 4.556 -0.000 0.000 0.371 212 H C -0.164 175.223 175.328 0.098 0.000 1.161 212 H CA -0.659 55.453 56.048 0.105 0.000 1.167 212 H CB 2.377 32.190 29.762 0.085 0.000 1.732 212 H HN 0.533 nan 8.280 nan 0.000 0.544 213 S N 0.568 116.402 115.700 0.223 0.000 2.535 213 S HA 0.060 4.530 4.470 -0.000 0.000 0.214 213 S C 0.598 175.427 174.600 0.383 0.000 0.980 213 S CA 0.050 58.416 58.200 0.277 0.000 0.907 213 S CB 0.253 63.575 63.200 0.205 0.000 0.790 213 S HN 0.688 nan 8.310 nan 0.000 0.510 214 S N -0.634 115.206 115.700 0.234 0.000 2.615 214 S HA 0.544 5.014 4.470 -0.000 0.000 0.269 214 S C 0.319 174.945 174.600 0.042 0.000 1.161 214 S CA -0.819 57.516 58.200 0.226 0.000 0.817 214 S CB 0.231 63.549 63.200 0.197 0.000 1.131 214 S HN 0.033 nan 8.310 nan 0.000 0.467 215 I N 0.941 121.534 120.570 0.039 0.000 2.584 215 I HA -0.032 4.138 4.170 -0.000 0.000 0.255 215 I C 2.260 178.342 176.117 -0.058 0.000 1.145 215 I CA 0.917 62.188 61.300 -0.048 0.000 1.462 215 I CB -0.400 37.595 38.000 -0.010 0.000 1.102 215 I HN 0.709 nan 8.210 nan 0.000 0.433 216 E N 1.299 121.500 120.200 0.002 0.000 2.070 216 E HA -0.288 4.062 4.350 -0.000 0.000 0.197 216 E C 1.941 178.516 176.600 -0.041 0.000 1.004 216 E CA 1.660 58.055 56.400 -0.008 0.000 0.805 216 E CB -0.342 29.386 29.700 0.048 0.000 0.744 216 E HN 0.565 nan 8.360 nan 0.000 0.451 217 E N 0.805 120.997 120.200 -0.012 0.000 2.331 217 E HA -0.163 4.187 4.350 -0.000 0.000 0.199 217 E C 1.569 178.095 176.600 -0.124 0.000 1.008 217 E CA 1.609 58.000 56.400 -0.015 0.000 0.843 217 E CB 0.047 29.796 29.700 0.081 0.000 0.761 217 E HN 0.362 nan 8.360 nan 0.000 0.507 218 V N -3.168 116.604 119.914 -0.236 0.000 3.556 218 V HA 0.172 4.292 4.120 -0.000 0.000 0.287 218 V C 1.995 177.856 176.094 -0.387 0.000 1.422 218 V CA 0.353 62.389 62.300 -0.440 0.000 1.038 218 V CB 0.315 31.703 31.823 -0.724 0.000 0.850 218 V HN 0.060 nan 8.190 nan 0.000 0.437 219 M N 3.043 122.483 119.600 -0.266 0.000 2.108 219 M HA -0.110 4.370 4.480 -0.000 0.000 0.257 219 M C 2.037 178.178 176.300 -0.265 0.000 1.071 219 M CA 2.762 57.910 55.300 -0.253 0.000 1.093 219 M CB -0.781 31.683 32.600 -0.227 0.000 1.345 219 M HN 0.496 nan 8.290 nan 0.000 0.403 220 A N -1.004 121.671 122.820 -0.242 0.000 2.067 220 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 220 A C 1.901 179.342 177.584 -0.239 0.000 1.158 220 A CA 1.536 53.443 52.037 -0.217 0.000 0.661 220 A CB -0.567 18.333 19.000 -0.167 0.000 0.801 220 A HN 0.612 nan 8.150 nan 0.000 0.452 221 E N -0.250 119.766 120.200 -0.307 0.000 2.415 221 E HA 0.080 4.430 4.350 -0.000 0.000 0.197 221 E C 0.670 177.041 176.600 -0.381 0.000 1.007 221 E CA 0.557 56.733 56.400 -0.373 0.000 0.890 221 E CB 0.088 29.547 29.700 -0.401 0.000 0.891 221 E HN 0.526 nan 8.360 nan 0.000 0.496 222 V N -0.412 119.306 119.914 -0.325 0.000 2.644 222 V HA 0.287 4.407 4.120 -0.000 0.000 0.295 222 V C 0.586 176.617 176.094 -0.105 0.000 1.053 222 V CA -0.517 61.662 62.300 -0.202 0.000 0.987 222 V CB 1.790 33.452 31.823 -0.267 0.000 1.006 222 V HN -0.221 nan 8.190 nan 0.000 0.472 223 D N 2.201 122.587 120.400 -0.024 0.000 2.277 223 D HA 0.256 4.896 4.640 -0.000 0.000 0.209 223 D C 0.292 176.573 176.300 -0.031 0.000 0.970 223 D CA 1.156 55.139 54.000 -0.029 0.000 0.874 223 D CB 0.633 41.427 40.800 -0.011 0.000 0.982 223 D HN 0.435 nan 8.370 nan 0.000 0.504 224 I N 1.706 122.271 120.570 -0.009 0.000 2.534 224 I HA 0.189 4.359 4.170 -0.000 0.000 0.288 224 I C -0.916 175.237 176.117 0.060 0.000 1.077 224 I CA -0.839 60.480 61.300 0.033 0.000 1.051 224 I CB 2.367 40.398 38.000 0.052 0.000 1.234 224 I HN -0.182 nan 8.210 nan 0.000 0.425 225 L N 8.337 129.606 121.223 0.076 0.000 2.283 225 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 225 L C -1.380 175.575 176.870 0.142 0.000 1.033 225 L CA -0.394 54.490 54.840 0.074 0.000 0.848 225 L CB 0.650 42.721 42.059 0.020 0.000 1.226 225 L HN 0.423 nan 8.230 nan 0.000 0.429 226 Y N 6.182 126.504 120.300 0.037 0.000 2.504 226 Y HA 0.526 5.076 4.550 0.000 0.000 0.339 226 Y C -0.332 175.548 175.900 -0.033 0.000 0.974 226 Y CA -0.762 57.353 58.100 0.025 0.000 1.232 226 Y CB 0.664 39.156 38.460 0.053 0.000 1.108 226 Y HN 0.483 nan 8.280 nan 0.000 0.509 227 M N 4.699 124.118 119.600 -0.300 0.000 2.314 227 M HA 0.361 4.841 4.480 -0.000 0.000 0.342 227 M C 0.130 175.984 176.300 -0.743 0.000 1.171 227 M CA -0.250 54.859 55.300 -0.318 0.000 1.098 227 M CB 1.212 33.732 32.600 -0.133 0.000 1.559 227 M HN 0.675 nan 8.290 nan 0.000 0.459 228 T N -0.151 114.145 114.554 -0.429 0.000 2.906 228 T HA 0.678 5.028 4.350 -0.000 0.000 0.295 228 T C -0.586 174.088 174.700 -0.044 0.000 1.075 228 T CA -1.108 60.769 62.100 -0.372 0.000 1.005 228 T CB 2.731 71.532 68.868 -0.112 0.000 1.136 228 T HN 0.782 nan 8.240 nan 0.000 0.498 229 R N 1.266 121.808 120.500 0.070 0.000 2.486 229 R HA 0.640 4.980 4.340 -0.000 0.000 0.286 229 R C -0.726 175.639 176.300 0.109 0.000 0.999 229 R CA -0.707 55.482 56.100 0.149 0.000 0.993 229 R CB 1.088 31.496 30.300 0.179 0.000 1.084 229 R HN 0.600 nan 8.270 nan 0.000 0.487 230 V N 4.268 124.246 119.914 0.107 0.000 2.572 230 V HA 0.001 4.121 4.120 -0.000 0.000 0.291 230 V C 0.267 176.424 176.094 0.105 0.000 1.039 230 V CA -0.044 62.324 62.300 0.113 0.000 1.055 230 V CB 1.392 33.276 31.823 0.102 0.000 0.969 230 V HN 0.739 nan 8.190 nan 0.000 0.482 231 Q N 4.489 124.368 119.800 0.132 0.000 3.159 231 Q HA 0.038 4.378 4.340 -0.000 0.000 0.280 231 Q C 1.432 177.448 176.000 0.026 0.000 1.403 231 Q CA 0.077 55.931 55.803 0.085 0.000 0.957 231 Q CB -0.137 28.671 28.738 0.116 0.000 1.729 231 Q HN 0.780 nan 8.270 nan 0.000 0.551 232 K N 2.159 122.578 120.400 0.033 0.000 2.059 232 K HA -0.226 4.094 4.320 -0.000 0.000 0.212 232 K C 1.163 177.748 176.600 -0.025 0.000 1.050 232 K CA 1.860 58.157 56.287 0.016 0.000 0.927 232 K CB 0.281 32.794 32.500 0.023 0.000 0.714 232 K HN 0.328 nan 8.250 nan 0.000 0.447 233 E N 0.602 120.781 120.200 -0.035 0.000 2.516 233 E HA -0.162 4.188 4.350 -0.000 0.000 0.199 233 E C 1.088 177.618 176.600 -0.115 0.000 1.069 233 E CA 0.729 57.097 56.400 -0.053 0.000 0.876 233 E CB 0.032 29.715 29.700 -0.029 0.000 0.843 233 E HN 0.492 nan 8.360 nan 0.000 0.530 234 R N 0.335 120.707 120.500 -0.214 0.000 2.344 234 R HA 0.320 4.659 4.340 -0.000 0.000 0.209 234 R C 0.981 176.930 176.300 -0.585 0.000 0.886 234 R CA -0.316 55.522 56.100 -0.435 0.000 1.040 234 R CB 0.373 30.299 30.300 -0.623 0.000 1.114 234 R HN 0.100 nan 8.270 nan 0.000 0.547 235 L N 3.249 124.278 121.223 -0.323 0.000 2.578 235 L HA -0.034 4.306 4.340 -0.000 0.000 0.279 235 L C 0.808 177.665 176.870 -0.022 0.000 1.227 235 L CA 0.585 55.382 54.840 -0.072 0.000 0.900 235 L CB 0.116 42.195 42.059 0.033 0.000 1.144 235 L HN 0.091 nan 8.230 nan 0.000 0.496 236 D N 5.378 125.825 120.400 0.079 0.000 2.360 236 D HA 0.087 4.727 4.640 -0.000 0.000 0.242 236 D C -1.797 174.534 176.300 0.051 0.000 1.184 236 D CA -1.451 52.587 54.000 0.063 0.000 0.930 236 D CB 1.761 42.619 40.800 0.097 0.000 1.161 236 D HN 0.246 nan 8.370 nan 0.000 0.447 237 P HA -0.035 nan 4.420 nan 0.000 0.237 237 P C 0.799 178.119 177.300 0.034 0.000 1.178 237 P CA 0.724 63.841 63.100 0.029 0.000 0.766 237 P CB 0.092 31.803 31.700 0.019 0.000 0.876 238 S N -1.610 114.116 115.700 0.043 0.000 2.577 238 S HA 0.135 4.605 4.470 -0.000 0.000 0.219 238 S C 1.070 175.701 174.600 0.052 0.000 0.962 238 S CA -0.001 58.224 58.200 0.042 0.000 0.921 238 S CB -0.540 62.684 63.200 0.041 0.000 0.789 238 S HN 0.123 nan 8.310 nan 0.000 0.497 239 E N -0.985 119.254 120.200 0.064 0.000 2.641 239 E HA 0.162 4.512 4.350 -0.000 0.000 0.224 239 E C 1.678 178.319 176.600 0.067 0.000 0.951 239 E CA 0.343 56.791 56.400 0.080 0.000 1.102 239 E CB -0.306 29.475 29.700 0.135 0.000 1.091 239 E HN 0.637 nan 8.360 nan 0.000 0.507 240 Y N 1.213 121.542 120.300 0.049 0.000 2.283 240 Y HA -0.123 4.427 4.550 -0.000 0.000 0.285 240 Y C 2.480 178.399 175.900 0.032 0.000 1.176 240 Y CA 1.564 59.687 58.100 0.037 0.000 1.229 240 Y CB -0.939 37.536 38.460 0.026 0.000 0.975 240 Y HN 0.278 nan 8.280 nan 0.000 0.537 241 A N 0.223 123.062 122.820 0.031 0.000 2.015 241 A HA -0.134 4.185 4.320 -0.000 0.000 0.219 241 A C 1.687 179.285 177.584 0.023 0.000 1.163 241 A CA 1.217 53.268 52.037 0.022 0.000 0.646 241 A CB -0.556 18.455 19.000 0.019 0.000 0.806 241 A HN 0.726 nan 8.150 nan 0.000 0.448 242 N N 0.206 118.929 118.700 0.039 0.000 2.370 242 N HA 0.037 4.777 4.740 -0.000 0.000 0.198 242 N C 1.242 176.782 175.510 0.050 0.000 1.156 242 N CA 0.421 53.497 53.050 0.044 0.000 0.839 242 N CB 0.384 38.910 38.487 0.064 0.000 0.989 242 N HN 0.284 nan 8.380 nan 0.000 0.468 243 V N 0.843 120.782 119.914 0.042 0.000 2.295 243 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 243 V C 1.337 177.452 176.094 0.035 0.000 1.049 243 V CA 1.315 63.640 62.300 0.042 0.000 1.024 243 V CB -0.244 31.598 31.823 0.032 0.000 0.648 243 V HN 0.262 nan 8.190 nan 0.000 0.447 244 K N 0.856 121.268 120.400 0.020 0.000 2.350 244 K HA 0.368 4.688 4.320 -0.000 0.000 0.279 244 K C 0.186 176.793 176.600 0.011 0.000 1.027 244 K CA 0.100 56.394 56.287 0.011 0.000 0.969 244 K CB 0.722 33.219 32.500 -0.003 0.000 0.954 244 K HN 0.348 nan 8.250 nan 0.000 0.474 245 A N 3.436 126.269 122.820 0.022 0.000 2.548 245 A HA -0.052 4.268 4.320 -0.000 0.000 0.247 245 A C 0.874 178.442 177.584 -0.027 0.000 1.067 245 A CA 0.137 52.197 52.037 0.038 0.000 0.757 245 A CB 0.350 19.388 19.000 0.062 0.000 0.996 245 A HN 1.019 nan 8.150 nan 0.000 0.504 246 Q N 1.456 121.204 119.800 -0.085 0.000 2.331 246 Q HA 0.106 4.446 4.340 -0.000 0.000 0.203 246 Q C -0.944 174.704 176.000 -0.587 0.000 0.944 246 Q CA 0.829 56.403 55.803 -0.382 0.000 0.892 246 Q CB 0.099 28.483 28.738 -0.589 0.000 0.983 246 Q HN 0.727 nan 8.270 nan 0.000 0.482 247 F N 0.341 120.316 119.950 0.042 0.000 2.477 247 F HA 0.455 4.981 4.527 -0.000 0.000 0.335 247 F C -0.838 174.982 175.800 0.032 0.000 1.130 247 F CA -1.135 56.889 58.000 0.040 0.000 0.948 247 F CB 1.791 40.821 39.000 0.050 0.000 1.154 247 F HN -0.342 nan 8.300 nan 0.000 0.439 248 V N 4.600 124.617 119.914 0.172 0.000 2.417 248 V HA 0.404 4.524 4.120 -0.000 0.000 0.291 248 V C -0.593 175.563 176.094 0.103 0.000 1.024 248 V CA -0.779 61.586 62.300 0.107 0.000 0.861 248 V CB 1.880 33.739 31.823 0.060 0.000 0.985 248 V HN 0.598 nan 8.190 nan 0.000 0.436 249 L N 6.786 128.056 121.223 0.079 0.000 2.264 249 L HA 0.621 4.961 4.340 -0.000 0.000 0.289 249 L C 0.046 176.950 176.870 0.056 0.000 1.044 249 L CA 0.398 55.276 54.840 0.064 0.000 0.807 249 L CB 0.598 42.688 42.059 0.051 0.000 1.192 249 L HN 0.613 nan 8.230 nan 0.000 0.425 250 R N 3.395 123.929 120.500 0.057 0.000 2.832 250 R HA 0.635 4.975 4.340 -0.000 0.000 0.271 250 R C 0.902 177.239 176.300 0.062 0.000 0.996 250 R CA -0.278 55.856 56.100 0.058 0.000 0.977 250 R CB 1.543 31.874 30.300 0.053 0.000 1.168 250 R HN 0.788 nan 8.270 nan 0.000 0.482 251 A N 0.821 123.683 122.820 0.069 0.000 1.986 251 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 251 A C 1.966 179.595 177.584 0.075 0.000 1.171 251 A CA 2.315 54.398 52.037 0.076 0.000 0.640 251 A CB -0.691 18.358 19.000 0.082 0.000 0.811 251 A HN 0.804 nan 8.150 nan 0.000 0.451 252 S N -0.198 115.547 115.700 0.074 0.000 2.447 252 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 252 S C 1.165 175.859 174.600 0.157 0.000 1.006 252 S CA 1.214 59.470 58.200 0.093 0.000 0.957 252 S CB -0.422 62.813 63.200 0.058 0.000 0.773 252 S HN 0.536 nan 8.310 nan 0.000 0.507 253 D N 1.663 122.127 120.400 0.107 0.000 2.350 253 D HA 0.063 4.703 4.640 -0.000 0.000 0.216 253 D C 1.512 177.799 176.300 -0.020 0.000 0.968 253 D CA 0.602 54.654 54.000 0.088 0.000 0.894 253 D CB -0.141 40.679 40.800 0.034 0.000 0.909 253 D HN 0.471 nan 8.370 nan 0.000 0.520 254 L N 0.970 122.176 121.223 -0.028 0.000 2.554 254 L HA -0.030 4.310 4.340 -0.000 0.000 0.226 254 L C 2.382 179.144 176.870 -0.180 0.000 1.137 254 L CA 0.084 54.821 54.840 -0.172 0.000 0.863 254 L CB -0.556 41.410 42.059 -0.154 0.000 0.985 254 L HN 0.178 nan 8.230 nan 0.000 0.451 255 H N 1.710 120.750 119.070 -0.050 0.000 2.362 255 H HA -0.253 4.303 4.556 -0.000 0.000 0.294 255 H C 0.854 176.160 175.328 -0.037 0.000 1.113 255 H CA 2.067 58.099 56.048 -0.026 0.000 1.253 255 H CB -0.699 29.055 29.762 -0.014 0.000 1.363 255 H HN 0.677 nan 8.280 nan 0.000 0.494 256 N N 0.604 118.822 118.700 -0.804 0.000 2.273 256 N HA 0.412 5.152 4.740 -0.000 0.000 0.231 256 N C -0.001 175.320 175.510 -0.315 0.000 1.134 256 N CA 0.063 52.849 53.050 -0.441 0.000 0.856 256 N CB 0.693 38.921 38.487 -0.431 0.000 1.068 256 N HN 0.377 nan 8.380 nan 0.000 0.510 257 A N 1.519 124.151 122.820 -0.314 0.000 2.462 257 A HA 0.115 4.435 4.320 -0.000 0.000 0.243 257 A C 0.401 177.899 177.584 -0.144 0.000 1.076 257 A CA -0.373 51.486 52.037 -0.298 0.000 0.773 257 A CB 0.381 19.040 19.000 -0.569 0.000 1.010 257 A HN 0.322 nan 8.150 nan 0.000 0.493 258 K N 1.476 121.805 120.400 -0.118 0.000 2.469 258 K HA 0.167 4.487 4.320 -0.000 0.000 0.274 258 K C 1.357 177.991 176.600 0.057 0.000 0.983 258 K CA 0.386 56.642 56.287 -0.051 0.000 0.974 258 K CB 0.396 32.850 32.500 -0.076 0.000 0.913 258 K HN 0.735 nan 8.250 nan 0.000 0.493 259 A N 2.879 125.720 122.820 0.034 0.000 1.978 259 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 259 A C 1.599 179.170 177.584 -0.020 0.000 1.170 259 A CA 1.824 53.882 52.037 0.035 0.000 0.636 259 A CB -0.517 18.470 19.000 -0.021 0.000 0.810 259 A HN 0.916 nan 8.150 nan 0.000 0.448 260 N N -1.076 117.600 118.700 -0.040 0.000 2.398 260 N HA 0.016 4.755 4.740 -0.000 0.000 0.188 260 N C 0.690 176.153 175.510 -0.079 0.000 1.122 260 N CA -0.002 52.990 53.050 -0.097 0.000 0.866 260 N CB -0.238 38.190 38.487 -0.099 0.000 0.970 260 N HN 0.389 nan 8.380 nan 0.000 0.462 261 M N 1.813 121.431 119.600 0.029 0.000 2.248 261 M HA 0.072 4.552 4.480 -0.000 0.000 0.345 261 M C -0.726 175.642 176.300 0.114 0.000 1.243 261 M CA 0.555 55.889 55.300 0.057 0.000 1.090 261 M CB 0.437 33.049 32.600 0.021 0.000 1.683 261 M HN -0.103 nan 8.290 nan 0.000 0.450 262 K N 4.225 124.633 120.400 0.013 0.000 2.378 262 K HA 0.507 4.827 4.320 -0.000 0.000 0.252 262 K C -1.389 175.279 176.600 0.114 0.000 0.931 262 K CA -0.680 55.623 56.287 0.027 0.000 0.794 262 K CB 2.088 34.495 32.500 -0.154 0.000 1.181 262 K HN 0.529 nan 8.250 nan 0.000 0.425 263 V N 4.694 124.726 119.914 0.198 0.000 2.383 263 V HA 0.390 4.510 4.120 -0.000 0.000 0.275 263 V C 0.256 176.535 176.094 0.309 0.000 1.036 263 V CA -0.662 61.775 62.300 0.229 0.000 0.889 263 V CB 0.657 32.656 31.823 0.294 0.000 0.985 263 V HN 0.479 nan 8.190 nan 0.000 0.459 264 L N 4.491 125.842 121.223 0.213 0.000 2.319 264 L HA 0.728 5.068 4.340 -0.000 0.000 0.267 264 L C -0.559 176.253 176.870 -0.096 0.000 1.011 264 L CA -0.786 54.152 54.840 0.163 0.000 0.818 264 L CB 1.993 44.172 42.059 0.199 0.000 1.316 264 L HN 0.592 nan 8.230 nan 0.000 0.432 265 H N 2.235 121.172 119.070 -0.222 0.000 3.188 265 H HA 0.178 4.734 4.556 0.000 0.000 0.325 265 H C -2.441 172.748 175.328 -0.231 0.000 1.033 265 H CA -1.257 54.563 56.048 -0.380 0.000 1.443 265 H CB 2.824 32.355 29.762 -0.384 0.000 1.968 265 H HN 0.226 nan 8.280 nan 0.000 0.449 266 P HA -0.051 nan 4.420 nan 0.000 0.221 266 P C 0.018 177.440 177.300 0.204 0.000 1.145 266 P CA 0.545 63.711 63.100 0.109 0.000 0.795 266 P CB 0.872 32.642 31.700 0.116 0.000 0.775 267 L N -2.790 118.660 121.223 0.377 0.000 0.585 267 L HA -0.098 4.242 4.340 -0.000 0.000 0.356 267 L C -2.282 174.667 176.870 0.132 0.000 1.004 267 L CA -0.858 54.055 54.840 0.121 0.000 1.223 267 L CB -1.661 40.438 42.059 0.066 0.000 0.012 267 L HN 0.061 nan 8.230 nan 0.000 0.091 268 P HA 0.374 nan 4.420 nan 0.000 0.279 268 P C -1.397 175.804 177.300 -0.164 0.000 1.252 268 P CA -0.638 62.437 63.100 -0.042 0.000 0.811 268 P CB 0.964 32.666 31.700 0.004 0.000 1.035 269 R N 0.490 120.760 120.500 -0.384 0.000 2.540 269 R HA 0.583 4.923 4.340 -0.000 0.000 0.287 269 R C -0.181 176.012 176.300 -0.178 0.000 0.980 269 R CA -0.911 54.893 56.100 -0.494 0.000 0.966 269 R CB 0.727 30.561 30.300 -0.777 0.000 1.106 269 R HN 0.126 nan 8.270 nan 0.000 0.480 270 V N 0.892 120.760 119.914 -0.078 0.000 3.324 270 V HA -0.045 4.075 4.120 -0.000 0.000 0.192 270 V C 0.934 177.007 176.094 -0.034 0.000 1.223 270 V CA 0.888 63.170 62.300 -0.030 0.000 1.400 270 V CB 0.163 31.993 31.823 0.012 0.000 1.277 270 V HN 0.998 nan 8.190 nan 0.000 0.486 271 D N -0.055 120.343 120.400 -0.003 0.000 2.338 271 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 271 D C 1.729 178.034 176.300 0.009 0.000 0.997 271 D CA 0.672 54.672 54.000 0.001 0.000 0.880 271 D CB -0.674 40.134 40.800 0.012 0.000 0.980 271 D HN 0.590 nan 8.370 nan 0.000 0.509 272 E N 1.700 121.919 120.200 0.031 0.000 2.233 272 E HA -0.207 4.142 4.350 -0.000 0.000 0.199 272 E C 0.510 177.129 176.600 0.032 0.000 1.004 272 E CA 0.765 57.202 56.400 0.062 0.000 0.819 272 E CB -0.316 29.453 29.700 0.114 0.000 0.738 272 E HN 0.398 nan 8.360 nan 0.000 0.478 273 I N 1.569 122.117 120.570 -0.037 0.000 2.437 273 I HA 0.358 4.528 4.170 -0.000 0.000 0.279 273 I C 0.015 176.098 176.117 -0.056 0.000 1.028 273 I CA -0.884 60.368 61.300 -0.080 0.000 1.142 273 I CB 1.553 39.402 38.000 -0.250 0.000 1.266 273 I HN -0.008 nan 8.210 nan 0.000 0.461 274 A N 3.715 126.535 122.820 0.001 0.000 2.466 274 A HA 0.230 4.550 4.320 -0.000 0.000 0.238 274 A C 1.564 179.174 177.584 0.043 0.000 1.074 274 A CA 0.293 52.342 52.037 0.021 0.000 0.774 274 A CB 0.239 19.260 19.000 0.035 0.000 1.015 274 A HN 0.859 nan 8.150 nan 0.000 0.498 275 T N -0.963 113.622 114.554 0.051 0.000 2.929 275 T HA -0.168 4.181 4.350 -0.000 0.000 0.271 275 T C 1.018 175.778 174.700 0.099 0.000 1.085 275 T CA 1.527 63.677 62.100 0.084 0.000 1.125 275 T CB -0.519 68.393 68.868 0.074 0.000 0.874 275 T HN 0.794 nan 8.240 nan 0.000 0.494 276 D N 1.643 122.091 120.400 0.080 0.000 2.263 276 D HA -0.085 4.555 4.640 -0.000 0.000 0.208 276 D C 1.869 178.232 176.300 0.105 0.000 0.971 276 D CA 0.538 54.587 54.000 0.082 0.000 0.867 276 D CB -0.849 39.989 40.800 0.064 0.000 0.929 276 D HN 0.439 nan 8.370 nan 0.000 0.492 277 V N 1.120 121.110 119.914 0.127 0.000 2.515 277 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 277 V C 1.687 177.900 176.094 0.198 0.000 1.058 277 V CA 1.757 64.156 62.300 0.165 0.000 1.064 277 V CB -0.565 31.370 31.823 0.188 0.000 0.675 277 V HN 0.066 nan 8.190 nan 0.000 0.461 278 D N 1.111 121.644 120.400 0.222 0.000 2.158 278 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 278 D C 2.090 178.467 176.300 0.128 0.000 0.995 278 D CA 1.390 55.525 54.000 0.225 0.000 0.846 278 D CB -0.254 40.713 40.800 0.278 0.000 0.941 278 D HN 0.527 nan 8.370 nan 0.000 0.456 279 K N 1.050 121.516 120.400 0.111 0.000 2.426 279 K HA -0.001 4.319 4.320 -0.000 0.000 0.193 279 K C 0.677 177.322 176.600 0.075 0.000 1.028 279 K CA 0.122 56.455 56.287 0.078 0.000 1.047 279 K CB -0.575 31.964 32.500 0.065 0.000 0.821 279 K HN 0.208 nan 8.250 nan 0.000 0.513 280 T N 0.132 114.747 114.554 0.102 0.000 2.860 280 T HA 0.205 4.555 4.350 -0.000 0.000 0.299 280 T C -1.772 172.979 174.700 0.085 0.000 1.045 280 T CA -1.313 60.856 62.100 0.115 0.000 1.071 280 T CB 1.159 70.141 68.868 0.190 0.000 0.985 280 T HN -0.138 nan 8.240 nan 0.000 0.537 281 P HA 0.028 nan 4.420 nan 0.000 0.230 281 P C 0.701 177.945 177.300 -0.093 0.000 1.158 281 P CA 0.984 64.048 63.100 -0.060 0.000 0.769 281 P CB -0.168 31.411 31.700 -0.202 0.000 0.807 282 H N -0.375 118.743 119.070 0.081 0.000 2.512 282 H HA 0.276 4.832 4.556 -0.000 0.000 0.279 282 H C 0.963 176.368 175.328 0.128 0.000 0.999 282 H CA 0.287 56.378 56.048 0.072 0.000 1.283 282 H CB -0.439 29.346 29.762 0.038 0.000 1.421 282 H HN 0.045 nan 8.280 nan 0.000 0.554 283 A N 0.594 123.519 122.820 0.175 0.000 2.491 283 A HA -0.044 4.276 4.320 -0.000 0.000 0.261 283 A C 0.158 177.649 177.584 -0.155 0.000 1.101 283 A CA 0.033 52.015 52.037 -0.091 0.000 0.772 283 A CB -0.260 18.606 19.000 -0.224 0.000 1.043 283 A HN 0.767 nan 8.150 nan 0.000 0.501 284 W N 3.545 124.525 121.300 -0.532 0.000 2.055 284 W HA 0.070 4.730 4.660 0.000 0.000 0.293 284 W C 0.253 176.586 176.519 -0.308 0.000 0.886 284 W CA 0.043 57.191 57.345 -0.329 0.000 1.384 284 W CB 0.267 29.658 29.460 -0.115 0.000 1.068 284 W HN 1.081 nan 8.180 nan 0.000 0.513 285 Y N -1.609 118.618 120.300 -0.122 0.000 2.274 285 Y HA -0.125 4.425 4.550 -0.001 0.000 0.290 285 Y C 1.762 177.474 175.900 -0.315 0.000 1.145 285 Y CA 1.065 59.020 58.100 -0.243 0.000 1.203 285 Y CB -1.629 36.627 38.460 -0.339 0.000 0.984 285 Y HN -0.245 nan 8.280 nan 0.000 0.533 286 F N 0.618 120.448 119.950 -0.199 0.000 2.234 286 F HA -0.063 4.464 4.527 -0.000 0.000 0.296 286 F C 2.260 177.926 175.800 -0.224 0.000 1.089 286 F CA 0.792 58.704 58.000 -0.147 0.000 1.343 286 F CB -0.989 37.916 39.000 -0.157 0.000 1.040 286 F HN 0.017 nan 8.300 nan 0.000 0.498 287 Q N 0.158 119.757 119.800 -0.336 0.000 2.124 287 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 287 Q C 2.250 178.175 176.000 -0.125 0.000 0.977 287 Q CA 1.642 57.175 55.803 -0.451 0.000 0.850 287 Q CB -0.510 27.413 28.738 -1.359 0.000 0.901 287 Q HN 0.502 nan 8.270 nan 0.000 0.429 288 Q N -0.146 119.623 119.800 -0.052 0.000 2.061 288 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 288 Q C 1.951 178.033 176.000 0.136 0.000 0.984 288 Q CA 1.577 57.463 55.803 0.139 0.000 0.846 288 Q CB -0.223 28.619 28.738 0.174 0.000 0.902 288 Q HN 0.427 nan 8.270 nan 0.000 0.421 289 A N 0.502 123.388 122.820 0.110 0.000 1.883 289 A HA -0.139 4.180 4.320 -0.000 0.000 0.217 289 A C 2.302 179.931 177.584 0.076 0.000 1.186 289 A CA 1.734 53.838 52.037 0.111 0.000 0.624 289 A CB -1.445 17.649 19.000 0.156 0.000 0.822 289 A HN 0.625 nan 8.150 nan 0.000 0.444 290 G N -0.071 108.772 108.800 0.072 0.000 2.442 290 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 290 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 290 G C 1.310 176.263 174.900 0.088 0.000 1.141 290 G CA 1.097 46.229 45.100 0.052 0.000 0.763 290 G HN 0.529 nan 8.290 nan 0.000 0.554 291 N N 1.125 119.961 118.700 0.228 0.000 2.520 291 N HA -0.049 4.691 4.740 -0.000 0.000 0.185 291 N C 2.229 177.851 175.510 0.188 0.000 1.068 291 N CA 0.910 54.212 53.050 0.420 0.000 0.911 291 N CB -0.422 38.418 38.487 0.589 0.000 0.961 291 N HN 0.325 nan 8.380 nan 0.000 0.446 292 G N 1.101 109.932 108.800 0.052 0.000 2.432 292 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 292 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 292 G C 1.446 176.239 174.900 -0.178 0.000 1.135 292 G CA 0.209 45.279 45.100 -0.050 0.000 0.767 292 G HN 0.193 nan 8.290 nan 0.000 0.550 293 I N 0.485 120.890 120.570 -0.274 0.000 2.226 293 I HA -0.063 4.107 4.170 -0.000 0.000 0.245 293 I C 2.427 178.225 176.117 -0.531 0.000 1.100 293 I CA 0.851 61.876 61.300 -0.459 0.000 1.374 293 I CB -1.238 36.360 38.000 -0.669 0.000 1.057 293 I HN 0.102 nan 8.210 nan 0.000 0.413 294 F N 1.153 121.057 119.950 -0.076 0.000 2.206 294 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 294 F C 2.602 178.239 175.800 -0.272 0.000 1.090 294 F CA 0.999 58.897 58.000 -0.170 0.000 1.323 294 F CB -1.116 37.758 39.000 -0.210 0.000 1.028 294 F HN -0.010 nan 8.300 nan 0.000 0.492 295 A N 0.108 122.835 122.820 -0.155 0.000 1.929 295 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 295 A C 2.279 179.793 177.584 -0.115 0.000 1.176 295 A CA 1.167 53.100 52.037 -0.174 0.000 0.628 295 A CB -0.524 18.408 19.000 -0.114 0.000 0.816 295 A HN 0.273 nan 8.150 nan 0.000 0.444 296 R N -0.808 119.595 120.500 -0.161 0.000 2.073 296 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 296 R C 2.497 178.784 176.300 -0.021 0.000 1.120 296 R CA 1.316 57.314 56.100 -0.170 0.000 0.967 296 R CB -0.269 29.771 30.300 -0.434 0.000 0.862 296 R HN 0.628 nan 8.270 nan 0.000 0.436 297 Q N 0.035 119.808 119.800 -0.044 0.000 2.030 297 Q HA -0.196 4.143 4.340 -0.000 0.000 0.204 297 Q C 2.226 178.245 176.000 0.032 0.000 0.986 297 Q CA 1.851 57.659 55.803 0.008 0.000 0.843 297 Q CB -0.200 28.543 28.738 0.008 0.000 0.904 297 Q HN 0.370 nan 8.270 nan 0.000 0.420 298 A N 0.757 123.582 122.820 0.007 0.000 1.883 298 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 298 A C 2.039 179.646 177.584 0.039 0.000 1.186 298 A CA 1.452 53.495 52.037 0.010 0.000 0.624 298 A CB -0.789 18.188 19.000 -0.039 0.000 0.822 298 A HN 0.358 nan 8.150 nan 0.000 0.444 299 L N -0.362 120.890 121.223 0.048 0.000 2.017 299 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 299 L C 2.403 179.338 176.870 0.108 0.000 1.073 299 L CA 1.635 56.527 54.840 0.087 0.000 0.745 299 L CB -0.436 41.694 42.059 0.118 0.000 0.894 299 L HN 0.431 nan 8.230 nan 0.000 0.432 300 L N -1.003 120.293 121.223 0.121 0.000 2.017 300 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 300 L C 2.642 179.568 176.870 0.093 0.000 1.073 300 L CA 1.285 56.194 54.840 0.115 0.000 0.745 300 L CB -0.882 41.248 42.059 0.119 0.000 0.894 300 L HN 0.367 nan 8.230 nan 0.000 0.432 301 A N -0.121 122.747 122.820 0.080 0.000 1.933 301 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 301 A C 2.217 179.856 177.584 0.092 0.000 1.175 301 A CA 1.506 53.588 52.037 0.075 0.000 0.628 301 A CB -0.596 18.439 19.000 0.057 0.000 0.814 301 A HN 0.367 nan 8.150 nan 0.000 0.444 302 L N -1.039 120.240 121.223 0.093 0.000 2.095 302 L HA -0.076 4.263 4.340 -0.000 0.000 0.204 302 L C 2.443 179.415 176.870 0.170 0.000 1.080 302 L CA 0.636 55.542 54.840 0.109 0.000 0.759 302 L CB -0.329 41.782 42.059 0.087 0.000 0.914 302 L HN 0.210 nan 8.230 nan 0.000 0.439 303 V N -0.051 119.942 119.914 0.132 0.000 2.427 303 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 303 V C 1.978 178.140 176.094 0.113 0.000 1.051 303 V CA 1.472 63.832 62.300 0.100 0.000 1.048 303 V CB -0.165 31.692 31.823 0.056 0.000 0.666 303 V HN 0.365 nan 8.190 nan 0.000 0.456 304 L N -0.856 120.461 121.223 0.156 0.000 2.616 304 L HA 0.270 4.609 4.340 -0.000 0.000 0.229 304 L C 0.464 177.514 176.870 0.301 0.000 1.110 304 L CA 0.157 55.102 54.840 0.175 0.000 0.884 304 L CB -0.027 42.092 42.059 0.100 0.000 1.115 304 L HN 0.267 nan 8.230 nan 0.000 0.481 305 N N -0.102 118.769 118.700 0.286 0.000 2.399 305 N HA 0.225 4.964 4.740 -0.000 0.000 0.280 305 N C 0.808 176.232 175.510 -0.144 0.000 1.008 305 N CA -0.384 52.735 53.050 0.115 0.000 0.894 305 N CB 1.482 39.998 38.487 0.049 0.000 1.273 305 N HN -0.097 nan 8.380 nan 0.000 0.486 306 R N 1.781 121.914 120.500 -0.613 0.000 2.112 306 R HA -0.116 4.224 4.340 -0.000 0.000 0.242 306 R C -0.468 175.541 176.300 -0.485 0.000 1.137 306 R CA 1.649 57.068 56.100 -1.135 0.000 0.944 306 R CB -0.040 29.797 30.300 -0.772 0.000 0.857 306 R HN 0.678 nan 8.270 nan 0.000 0.435 307 D N 0.420 120.667 120.400 -0.256 0.000 2.181 307 D HA 0.173 4.813 4.640 -0.000 0.000 0.248 307 D C 0.307 176.563 176.300 -0.072 0.000 1.020 307 D CA -0.462 53.458 54.000 -0.133 0.000 0.891 307 D CB 1.467 42.211 40.800 -0.093 0.000 1.187 307 D HN 0.089 nan 8.370 nan 0.000 0.443 308 L N 0.000 121.198 121.223 -0.041 0.000 2.949 308 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 308 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 308 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 308 L HN 0.000 nan 8.230 nan 0.000 0.502