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 1rab_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD 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 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 0.000 177.567 177.584 -0.028 0.000 1.274 1 A CA 0.000 51.965 52.037 -0.119 0.000 0.836 1 A CB 0.000 18.933 19.000 -0.112 0.000 0.831 2 N N 2.309 121.011 118.700 0.003 0.000 2.513 2 N HA 0.564 5.304 4.740 -0.000 0.000 0.274 2 N C -1.224 174.338 175.510 0.087 0.000 1.189 2 N CA -1.071 52.008 53.050 0.047 0.000 0.975 2 N CB 0.863 39.384 38.487 0.058 0.000 1.157 2 N HN 0.240 nan 8.380 nan 0.000 0.465 3 P HA -0.173 nan 4.420 nan 0.000 0.217 3 P C 0.828 178.169 177.300 0.069 0.000 1.148 3 P CA 1.288 64.426 63.100 0.063 0.000 0.828 3 P CB 0.186 31.913 31.700 0.045 0.000 0.783 4 L N -2.678 118.592 121.223 0.077 0.000 2.591 4 L HA 0.088 4.428 4.340 -0.000 0.000 0.228 4 L C 1.104 178.005 176.870 0.052 0.000 1.133 4 L CA -0.500 54.373 54.840 0.054 0.000 0.880 4 L CB -0.769 41.322 42.059 0.054 0.000 1.033 4 L HN -0.082 nan 8.230 nan 0.000 0.450 5 Y N 2.202 122.495 120.300 -0.012 0.000 2.804 5 Y HA -0.117 4.433 4.550 -0.000 0.000 0.338 5 Y C 1.181 177.056 175.900 -0.043 0.000 1.252 5 Y CA 0.195 58.283 58.100 -0.019 0.000 1.576 5 Y CB -0.102 38.351 38.460 -0.012 0.000 1.223 5 Y HN 0.214 nan 8.280 nan 0.000 0.536 6 Q N 1.984 121.383 119.800 -0.667 0.000 2.481 6 Q HA -0.283 4.057 4.340 -0.000 0.000 0.272 6 Q C -0.651 175.099 176.000 -0.415 0.000 1.157 6 Q CA 1.203 56.632 55.803 -0.624 0.000 0.935 6 Q CB -0.586 27.645 28.738 -0.844 0.000 1.338 6 Q HN 0.731 nan 8.270 nan 0.000 0.494 7 K N 0.167 120.397 120.400 -0.284 0.000 2.098 7 K HA 0.272 4.592 4.320 -0.000 0.000 0.257 7 K C -0.410 176.028 176.600 -0.271 0.000 0.999 7 K CA -0.751 55.388 56.287 -0.247 0.000 0.924 7 K CB 0.636 33.084 32.500 -0.087 0.000 1.028 7 K HN 0.176 nan 8.250 nan 0.000 0.466 8 H N 1.873 120.925 119.070 -0.029 0.000 2.604 8 H HA 0.195 4.750 4.556 -0.000 0.000 0.306 8 H C -0.397 174.934 175.328 0.005 0.000 1.075 8 H CA -0.507 55.530 56.048 -0.018 0.000 1.357 8 H CB 0.600 30.348 29.762 -0.024 0.000 1.426 8 H HN 0.234 nan 8.280 nan 0.000 0.470 9 I N 5.146 125.790 120.570 0.122 0.000 2.282 9 I HA 0.063 4.233 4.170 -0.000 0.000 0.290 9 I C 1.055 177.235 176.117 0.106 0.000 1.090 9 I CA 0.504 61.867 61.300 0.104 0.000 1.231 9 I CB 0.091 38.156 38.000 0.108 0.000 1.434 9 I HN 0.574 nan 8.210 nan 0.000 0.487 10 I N 1.888 122.512 120.570 0.090 0.000 3.565 10 I HA 0.165 4.334 4.170 -0.000 0.000 0.287 10 I C 0.804 176.963 176.117 0.069 0.000 1.193 10 I CA 0.387 61.727 61.300 0.067 0.000 1.402 10 I CB 0.500 38.522 38.000 0.038 0.000 1.284 10 I HN 0.472 nan 8.210 nan 0.000 0.454 11 S N -0.265 115.475 115.700 0.067 0.000 2.570 11 S HA 0.385 4.855 4.470 -0.000 0.000 0.286 11 S C 0.686 175.331 174.600 0.074 0.000 1.099 11 S CA -0.616 57.626 58.200 0.069 0.000 0.913 11 S CB 1.416 64.646 63.200 0.050 0.000 1.085 11 S HN 0.062 nan 8.310 nan 0.000 0.480 12 I N 3.270 123.889 120.570 0.081 0.000 2.394 12 I HA -0.044 4.126 4.170 -0.000 0.000 0.251 12 I C 1.471 177.627 176.117 0.065 0.000 1.136 12 I CA 1.205 62.553 61.300 0.080 0.000 1.425 12 I CB -1.211 36.841 38.000 0.086 0.000 1.079 12 I HN 0.632 nan 8.210 nan 0.000 0.425 13 N N 1.009 119.743 118.700 0.056 0.000 2.573 13 N HA -0.125 4.614 4.740 -0.000 0.000 0.187 13 N C 1.042 176.572 175.510 0.034 0.000 1.107 13 N CA 0.771 53.846 53.050 0.042 0.000 0.918 13 N CB -0.158 38.350 38.487 0.036 0.000 0.966 13 N HN 0.356 nan 8.380 nan 0.000 0.448 14 D N -0.484 119.940 120.400 0.040 0.000 2.367 14 D HA 0.118 4.758 4.640 -0.000 0.000 0.207 14 D C 0.154 176.476 176.300 0.036 0.000 1.034 14 D CA 0.132 54.153 54.000 0.035 0.000 0.861 14 D CB 0.700 41.523 40.800 0.039 0.000 0.943 14 D HN 0.204 nan 8.370 nan 0.000 0.515 15 L N 1.253 122.503 121.223 0.045 0.000 2.307 15 L HA 0.250 4.589 4.340 -0.000 0.000 0.282 15 L C 0.979 177.870 176.870 0.034 0.000 1.051 15 L CA -0.588 54.280 54.840 0.047 0.000 0.804 15 L CB 1.676 43.774 42.059 0.065 0.000 1.197 15 L HN -0.140 nan 8.230 nan 0.000 0.431 16 S N 2.677 118.389 115.700 0.020 0.000 2.661 16 S HA 0.295 4.765 4.470 -0.000 0.000 0.265 16 S C 1.074 175.661 174.600 -0.022 0.000 1.225 16 S CA -0.571 57.623 58.200 -0.009 0.000 0.986 16 S CB 1.282 64.476 63.200 -0.010 0.000 1.008 16 S HN 0.721 nan 8.310 nan 0.000 0.565 17 R N 0.308 120.749 120.500 -0.099 0.000 2.083 17 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 17 R C 1.237 177.521 176.300 -0.025 0.000 1.137 17 R CA 2.100 58.086 56.100 -0.190 0.000 0.951 17 R CB -0.774 29.309 30.300 -0.363 0.000 0.851 17 R HN 0.754 nan 8.270 nan 0.000 0.434 18 D N 0.562 120.954 120.400 -0.013 0.000 2.144 18 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 18 D C 1.447 177.780 176.300 0.055 0.000 0.984 18 D CA 1.165 55.183 54.000 0.029 0.000 0.834 18 D CB -0.274 40.536 40.800 0.016 0.000 0.955 18 D HN 0.299 nan 8.370 nan 0.000 0.465 19 D N 0.543 120.972 120.400 0.049 0.000 2.117 19 D HA -0.066 4.574 4.640 -0.000 0.000 0.198 19 D C 2.448 178.801 176.300 0.088 0.000 0.982 19 D CA 0.325 54.362 54.000 0.061 0.000 0.828 19 D CB -0.236 40.596 40.800 0.053 0.000 0.967 19 D HN 0.237 nan 8.370 nan 0.000 0.464 20 L N 0.674 121.968 121.223 0.117 0.000 2.046 20 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 20 L C 2.055 179.040 176.870 0.192 0.000 1.077 20 L CA 1.040 55.984 54.840 0.173 0.000 0.747 20 L CB -0.487 41.731 42.059 0.266 0.000 0.896 20 L HN 0.043 nan 8.230 nan 0.000 0.432 21 N N -0.088 118.738 118.700 0.210 0.000 2.084 21 N HA -0.215 4.524 4.740 -0.000 0.000 0.190 21 N C 1.800 177.384 175.510 0.124 0.000 1.030 21 N CA 0.777 53.938 53.050 0.185 0.000 0.849 21 N CB -0.092 38.501 38.487 0.177 0.000 1.012 21 N HN 0.111 nan 8.380 nan 0.000 0.423 22 L N 1.348 122.629 121.223 0.097 0.000 2.013 22 L HA -0.160 4.179 4.340 -0.000 0.000 0.212 22 L C 1.981 178.891 176.870 0.065 0.000 1.073 22 L CA 1.533 56.417 54.840 0.073 0.000 0.753 22 L CB -0.677 41.419 42.059 0.062 0.000 0.890 22 L HN -0.016 nan 8.230 nan 0.000 0.432 23 V N -0.640 119.314 119.914 0.066 0.000 2.332 23 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 23 V C 2.519 178.630 176.094 0.028 0.000 1.055 23 V CA 1.834 64.159 62.300 0.041 0.000 1.038 23 V CB -0.569 31.280 31.823 0.043 0.000 0.651 23 V HN 0.403 nan 8.190 nan 0.000 0.450 24 L N -0.087 121.182 121.223 0.078 0.000 2.291 24 L HA 0.051 4.391 4.340 -0.000 0.000 0.214 24 L C 2.385 179.339 176.870 0.139 0.000 1.120 24 L CA 1.748 56.660 54.840 0.121 0.000 0.799 24 L CB -0.865 41.317 42.059 0.206 0.000 0.925 24 L HN 0.275 nan 8.230 nan 0.000 0.446 25 A N -1.789 121.093 122.820 0.103 0.000 1.930 25 A HA -0.098 4.221 4.320 -0.000 0.000 0.215 25 A C 2.319 179.940 177.584 0.063 0.000 1.176 25 A CA 1.766 53.859 52.037 0.093 0.000 0.632 25 A CB -0.670 18.376 19.000 0.077 0.000 0.819 25 A HN 0.348 nan 8.150 nan 0.000 0.445 26 T N 0.270 114.845 114.554 0.036 0.000 2.821 26 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 26 T C 2.223 176.919 174.700 -0.007 0.000 1.046 26 T CA 1.307 63.419 62.100 0.020 0.000 1.139 26 T CB -0.343 68.537 68.868 0.020 0.000 0.871 26 T HN 0.552 nan 8.240 nan 0.000 0.454 27 A N 1.575 124.347 122.820 -0.081 0.000 1.908 27 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 27 A C 2.640 180.166 177.584 -0.096 0.000 1.181 27 A CA 1.913 53.829 52.037 -0.201 0.000 0.627 27 A CB -1.130 17.465 19.000 -0.674 0.000 0.818 27 A HN 0.504 nan 8.150 nan 0.000 0.445 28 A N -0.221 122.635 122.820 0.061 0.000 1.883 28 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 28 A C 2.134 179.744 177.584 0.043 0.000 1.186 28 A CA 2.024 54.166 52.037 0.174 0.000 0.624 28 A CB -0.462 18.656 19.000 0.196 0.000 0.822 28 A HN 0.558 nan 8.150 nan 0.000 0.444 29 K N -0.492 119.926 120.400 0.031 0.000 2.025 29 K HA 0.033 4.353 4.320 -0.000 0.000 0.207 29 K C 1.793 178.396 176.600 0.006 0.000 1.049 29 K CA 1.324 57.620 56.287 0.016 0.000 0.933 29 K CB -0.355 32.159 32.500 0.023 0.000 0.714 29 K HN 0.451 nan 8.250 nan 0.000 0.438 30 L N 1.058 122.295 121.223 0.023 0.000 2.265 30 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 30 L C 2.475 179.362 176.870 0.029 0.000 1.117 30 L CA 1.027 55.905 54.840 0.064 0.000 0.782 30 L CB -0.256 41.882 42.059 0.132 0.000 0.914 30 L HN 0.163 nan 8.230 nan 0.000 0.441 31 K N 0.263 120.564 120.400 -0.166 0.000 2.062 31 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 31 K C 2.176 178.624 176.600 -0.253 0.000 1.051 31 K CA 1.106 57.047 56.287 -0.577 0.000 0.941 31 K CB 0.005 32.012 32.500 -0.821 0.000 0.719 31 K HN 0.238 nan 8.250 nan 0.000 0.440 32 A N 1.052 123.796 122.820 -0.127 0.000 1.832 32 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 32 A C 0.861 178.430 177.584 -0.026 0.000 1.204 32 A CA 1.322 53.322 52.037 -0.062 0.000 0.606 32 A CB -0.418 18.562 19.000 -0.033 0.000 0.849 32 A HN 0.482 nan 8.150 nan 0.000 0.445 33 N N 0.141 118.839 118.700 -0.004 0.000 2.518 33 N HA 0.428 5.167 4.740 -0.000 0.000 0.254 33 N C -3.084 172.445 175.510 0.031 0.000 0.979 33 N CA -1.726 51.332 53.050 0.013 0.000 0.930 33 N CB 1.298 39.793 38.487 0.013 0.000 1.152 33 N HN 0.009 nan 8.380 nan 0.000 0.505 34 P HA -0.034 nan 4.420 nan 0.000 0.266 34 P C -1.132 176.197 177.300 0.048 0.000 1.193 34 P CA 0.264 63.403 63.100 0.064 0.000 0.770 34 P CB 0.526 32.268 31.700 0.069 0.000 0.836 35 Q N 3.113 122.944 119.800 0.051 0.000 2.932 35 Q HA 0.203 4.543 4.340 -0.000 0.000 0.248 35 Q C -2.149 173.871 176.000 0.034 0.000 0.982 35 Q CA -1.459 54.366 55.803 0.036 0.000 0.730 35 Q CB 1.413 30.172 28.738 0.034 0.000 1.249 35 Q HN 0.327 nan 8.270 nan 0.000 0.476 36 P HA 0.003 nan 4.420 nan 0.000 0.241 36 P C 0.434 177.744 177.300 0.017 0.000 1.191 36 P CA 0.794 63.912 63.100 0.030 0.000 0.771 36 P CB 0.651 32.369 31.700 0.029 0.000 0.929 37 E N -1.599 118.603 120.200 0.004 0.000 2.676 37 E HA 0.124 4.474 4.350 -0.000 0.000 0.222 37 E C 1.183 177.767 176.600 -0.027 0.000 0.968 37 E CA -0.209 56.178 56.400 -0.021 0.000 1.090 37 E CB -0.124 29.559 29.700 -0.028 0.000 1.066 37 E HN 0.122 nan 8.360 nan 0.000 0.496 38 L N 0.554 121.775 121.223 -0.003 0.000 2.083 38 L HA -0.068 4.271 4.340 -0.000 0.000 0.209 38 L C 1.504 178.375 176.870 0.000 0.000 1.083 38 L CA 1.713 56.555 54.840 0.003 0.000 0.752 38 L CB -0.037 42.034 42.059 0.019 0.000 0.899 38 L HN 0.093 nan 8.230 nan 0.000 0.433 39 L N 0.320 121.543 121.223 0.001 0.000 2.912 39 L HA 0.141 4.480 4.340 -0.000 0.000 0.240 39 L C 0.584 177.442 176.870 -0.021 0.000 1.262 39 L CA -0.260 54.584 54.840 0.007 0.000 1.058 39 L CB -0.526 41.545 42.059 0.020 0.000 1.383 39 L HN 0.167 nan 8.230 nan 0.000 0.512 40 K N 0.740 121.088 120.400 -0.086 0.000 2.489 40 K HA -0.080 4.240 4.320 -0.000 0.000 0.278 40 K C 0.285 176.751 176.600 -0.224 0.000 1.000 40 K CA 0.467 56.627 56.287 -0.212 0.000 1.012 40 K CB 0.164 32.464 32.500 -0.334 0.000 0.903 40 K HN 0.393 nan 8.250 nan 0.000 0.485 41 H N -0.411 118.681 119.070 0.038 0.000 3.641 41 H HA -0.152 4.404 4.556 -0.000 0.000 0.193 41 H C -0.407 174.944 175.328 0.039 0.000 1.013 41 H CA 0.903 56.973 56.048 0.037 0.000 1.212 41 H CB -0.573 29.209 29.762 0.034 0.000 1.089 41 H HN 0.499 nan 8.280 nan 0.000 0.339 42 K N 1.581 122.050 120.400 0.116 0.000 2.185 42 K HA 0.507 4.826 4.320 -0.000 0.000 0.271 42 K C 0.091 176.735 176.600 0.073 0.000 1.013 42 K CA -0.367 55.972 56.287 0.087 0.000 0.943 42 K CB 2.127 34.662 32.500 0.058 0.000 0.998 42 K HN -0.050 nan 8.250 nan 0.000 0.468 43 V N 4.181 124.136 119.914 0.069 0.000 2.540 43 V HA 0.374 4.494 4.120 -0.000 0.000 0.302 43 V C -0.390 175.731 176.094 0.045 0.000 1.035 43 V CA -0.908 61.429 62.300 0.063 0.000 0.873 43 V CB 1.645 33.520 31.823 0.086 0.000 0.992 43 V HN 0.526 nan 8.190 nan 0.000 0.428 44 I N 3.555 124.136 120.570 0.018 0.000 2.530 44 I HA 0.733 4.903 4.170 -0.000 0.000 0.297 44 I C 0.415 176.529 176.117 -0.006 0.000 1.011 44 I CA -0.308 60.991 61.300 -0.002 0.000 1.107 44 I CB 1.966 39.951 38.000 -0.026 0.000 1.285 44 I HN 0.679 nan 8.210 nan 0.000 0.436 45 A N 3.435 126.245 122.820 -0.016 0.000 2.301 45 A HA 0.634 4.954 4.320 -0.000 0.000 0.298 45 A C -0.056 177.472 177.584 -0.094 0.000 1.185 45 A CA -0.331 51.691 52.037 -0.025 0.000 0.830 45 A CB 0.649 19.644 19.000 -0.009 0.000 1.112 45 A HN 0.592 nan 8.150 nan 0.000 0.508 46 S N 1.976 117.610 115.700 -0.110 0.000 2.505 46 S HA 0.373 4.843 4.470 -0.000 0.000 0.280 46 S C -0.678 173.754 174.600 -0.281 0.000 1.197 46 S CA -0.504 57.630 58.200 -0.110 0.000 1.138 46 S CB -0.708 62.476 63.200 -0.027 0.000 1.010 46 S HN 0.709 nan 8.310 nan 0.000 0.480 47 C N 5.869 124.875 119.300 -0.490 0.000 2.203 47 C HA 0.514 4.974 4.460 -0.000 0.000 0.325 47 C C -0.415 174.008 174.990 -0.944 0.000 1.156 47 C CA -0.787 57.579 59.018 -1.087 0.000 1.597 47 C CB -1.790 25.481 27.740 -0.782 0.000 2.148 47 C HN 0.788 nan 8.230 nan 0.000 0.472 48 F N 3.019 122.433 119.950 -0.893 0.000 2.311 48 F HA 0.383 4.910 4.527 -0.000 0.000 0.371 48 F C 0.700 176.319 175.800 -0.301 0.000 1.083 48 F CA -1.002 56.772 58.000 -0.377 0.000 1.113 48 F CB 0.394 39.256 39.000 -0.230 0.000 1.349 48 F HN 0.557 nan 8.300 nan 0.000 0.470 49 F N 0.269 120.212 119.950 -0.011 0.000 2.502 49 F HA -0.014 4.512 4.527 -0.000 0.000 0.298 49 F C 1.206 177.023 175.800 0.028 0.000 1.111 49 F CA 0.395 58.469 58.000 0.123 0.000 1.445 49 F CB 0.009 39.024 39.000 0.026 0.000 1.081 49 F HN 0.311 nan 8.300 nan 0.000 0.558 50 E N 0.884 121.184 120.200 0.167 0.000 2.187 50 E HA 0.600 4.950 4.350 -0.000 0.000 0.268 50 E C -0.917 175.782 176.600 0.166 0.000 0.896 50 E CA -0.980 55.486 56.400 0.109 0.000 0.766 50 E CB 1.639 31.374 29.700 0.058 0.000 1.142 50 E HN 0.012 nan 8.360 nan 0.000 0.408 51 A N 3.098 126.001 122.820 0.138 0.000 2.401 51 A HA 0.380 4.699 4.320 -0.000 0.000 0.259 51 A C -0.136 177.541 177.584 0.154 0.000 1.103 51 A CA -0.184 51.939 52.037 0.144 0.000 0.789 51 A CB 0.893 19.939 19.000 0.077 0.000 1.035 51 A HN 0.415 nan 8.150 nan 0.000 0.491 52 S N 1.796 117.600 115.700 0.174 0.000 2.381 52 S HA 0.306 4.775 4.470 -0.000 0.000 0.193 52 S C 0.959 175.538 174.600 -0.034 0.000 1.287 52 S CA -0.030 58.249 58.200 0.130 0.000 1.199 52 S CB 0.046 63.408 63.200 0.270 0.000 1.214 52 S HN 0.742 nan 8.310 nan 0.000 0.444 53 T N 4.473 118.999 114.554 -0.047 0.000 2.635 53 T HA -0.160 4.189 4.350 -0.000 0.000 0.267 53 T C 2.157 176.814 174.700 -0.072 0.000 1.040 53 T CA 1.259 63.305 62.100 -0.089 0.000 1.156 53 T CB -0.152 68.691 68.868 -0.040 0.000 0.863 53 T HN 0.513 nan 8.240 nan 0.000 0.430 54 R N 0.788 121.286 120.500 -0.003 0.000 2.094 54 R HA -0.092 4.248 4.340 -0.000 0.000 0.239 54 R C 2.703 179.021 176.300 0.030 0.000 1.137 54 R CA 1.829 57.944 56.100 0.025 0.000 0.943 54 R CB -1.403 28.939 30.300 0.071 0.000 0.850 54 R HN 0.409 nan 8.270 nan 0.000 0.433 55 T N 0.719 115.322 114.554 0.083 0.000 2.821 55 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 55 T C 1.896 176.646 174.700 0.083 0.000 1.046 55 T CA 0.964 63.173 62.100 0.182 0.000 1.139 55 T CB -0.094 69.019 68.868 0.408 0.000 0.871 55 T HN 0.279 nan 8.240 nan 0.000 0.454 56 R N 0.573 120.882 120.500 -0.320 0.000 2.070 56 R HA 0.034 4.374 4.340 -0.000 0.000 0.233 56 R C 2.394 178.587 176.300 -0.178 0.000 1.137 56 R CA 1.138 56.886 56.100 -0.586 0.000 0.945 56 R CB -0.431 29.326 30.300 -0.905 0.000 0.845 56 R HN 0.319 nan 8.270 nan 0.000 0.430 57 L N 0.125 121.271 121.223 -0.129 0.000 2.079 57 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 57 L C 2.633 179.498 176.870 -0.009 0.000 1.081 57 L CA 1.712 56.521 54.840 -0.053 0.000 0.752 57 L CB -0.572 41.460 42.059 -0.046 0.000 0.896 57 L HN 0.366 nan 8.230 nan 0.000 0.433 58 S N -0.547 115.152 115.700 -0.002 0.000 2.395 58 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 58 S C 1.950 176.550 174.600 -0.001 0.000 1.027 58 S CA 0.589 58.773 58.200 -0.026 0.000 0.965 58 S CB -0.206 62.961 63.200 -0.056 0.000 0.812 58 S HN 0.262 nan 8.310 nan 0.000 0.482 59 F N 2.254 122.199 119.950 -0.008 0.000 2.084 59 F HA 0.108 4.635 4.527 -0.000 0.000 0.296 59 F C 2.486 178.273 175.800 -0.022 0.000 1.111 59 F CA 1.689 59.700 58.000 0.017 0.000 1.224 59 F CB -0.604 38.459 39.000 0.104 0.000 0.991 59 F HN 0.327 nan 8.300 nan 0.000 0.471 60 E N -1.172 119.133 120.200 0.175 0.000 2.153 60 E HA -0.167 4.182 4.350 -0.000 0.000 0.194 60 E C 2.037 178.680 176.600 0.072 0.000 0.988 60 E CA 1.685 58.120 56.400 0.059 0.000 0.811 60 E CB -0.355 29.374 29.700 0.048 0.000 0.746 60 E HN 0.334 nan 8.360 nan 0.000 0.466 61 T N 0.646 115.255 114.554 0.091 0.000 2.777 61 T HA -0.118 4.231 4.350 -0.000 0.000 0.266 61 T C 2.129 176.855 174.700 0.043 0.000 1.040 61 T CA 1.257 63.413 62.100 0.094 0.000 1.141 61 T CB -0.182 68.698 68.868 0.021 0.000 0.868 61 T HN 0.057 nan 8.240 nan 0.000 0.444 62 S N 1.416 117.112 115.700 -0.007 0.000 2.387 62 S HA -0.089 4.381 4.470 -0.000 0.000 0.230 62 S C 2.066 176.670 174.600 0.007 0.000 1.035 62 S CA 1.279 59.460 58.200 -0.033 0.000 1.014 62 S CB -0.388 62.781 63.200 -0.051 0.000 0.836 62 S HN 0.455 nan 8.310 nan 0.000 0.466 63 M N 0.102 119.701 119.600 -0.001 0.000 2.156 63 M HA -0.049 4.431 4.480 -0.000 0.000 0.264 63 M C 2.111 178.353 176.300 -0.097 0.000 1.067 63 M CA 1.155 56.417 55.300 -0.063 0.000 1.131 63 M CB -0.501 32.009 32.600 -0.149 0.000 1.368 63 M HN 0.257 nan 8.290 nan 0.000 0.416 64 H N 0.611 119.698 119.070 0.027 0.000 2.353 64 H HA 0.003 4.559 4.556 -0.000 0.000 0.300 64 H C 1.998 177.333 175.328 0.011 0.000 1.090 64 H CA 1.294 57.352 56.048 0.016 0.000 1.327 64 H CB -0.233 29.535 29.762 0.009 0.000 1.383 64 H HN 0.317 nan 8.280 nan 0.000 0.508 65 R N 0.451 121.016 120.500 0.107 0.000 2.328 65 R HA -0.008 4.332 4.340 -0.000 0.000 0.207 65 R C 1.293 177.625 176.300 0.053 0.000 1.056 65 R CA 0.437 56.577 56.100 0.066 0.000 1.016 65 R CB 0.097 30.419 30.300 0.036 0.000 0.872 65 R HN 0.284 nan 8.270 nan 0.000 0.471 66 L N -0.799 120.450 121.223 0.044 0.000 2.808 66 L HA 0.263 4.602 4.340 -0.000 0.000 0.246 66 L C 0.861 177.748 176.870 0.028 0.000 1.153 66 L CA 0.085 54.946 54.840 0.035 0.000 0.956 66 L CB 0.868 42.945 42.059 0.030 0.000 1.270 66 L HN 0.317 nan 8.230 nan 0.000 0.528 67 G N 0.277 109.102 108.800 0.042 0.000 2.141 67 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.231 67 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.231 67 G C 0.254 175.173 174.900 0.032 0.000 0.984 67 G CA 0.021 45.143 45.100 0.037 0.000 0.660 67 G HN 0.449 nan 8.290 nan 0.000 0.525 68 A N -0.248 122.583 122.820 0.018 0.000 2.269 68 A HA 0.885 5.205 4.320 -0.000 0.000 0.319 68 A C 0.654 178.236 177.584 -0.003 0.000 1.110 68 A CA 0.514 52.554 52.037 0.005 0.000 0.847 68 A CB 1.011 20.003 19.000 -0.014 0.000 1.161 68 A HN 0.938 nan 8.150 nan 0.000 0.497 69 S N -0.805 114.909 115.700 0.024 0.000 2.585 69 S HA 0.558 5.027 4.470 -0.000 0.000 0.277 69 S C -0.461 174.131 174.600 -0.013 0.000 1.241 69 S CA -0.442 57.787 58.200 0.049 0.000 1.041 69 S CB 1.275 64.522 63.200 0.077 0.000 0.987 69 S HN 0.570 nan 8.310 nan 0.000 0.512 70 V N 3.127 123.040 119.914 -0.002 0.000 2.540 70 V HA 0.615 4.735 4.120 -0.000 0.000 0.302 70 V C -0.277 175.841 176.094 0.040 0.000 1.035 70 V CA -0.691 61.596 62.300 -0.022 0.000 0.873 70 V CB 1.573 33.336 31.823 -0.100 0.000 0.992 70 V HN 0.754 nan 8.190 nan 0.000 0.428 71 V N 1.327 121.267 119.914 0.044 0.000 2.960 71 V HA 1.157 5.277 4.120 -0.000 0.000 0.315 71 V C 0.212 176.340 176.094 0.057 0.000 1.087 71 V CA -0.101 62.240 62.300 0.068 0.000 0.982 71 V CB 1.370 33.254 31.823 0.102 0.000 1.039 71 V HN 1.404 nan 8.190 nan 0.000 0.437 72 G N 1.044 109.895 108.800 0.085 0.000 2.341 72 G HA2 0.557 4.516 3.960 -0.000 0.000 0.293 72 G HA3 0.557 4.516 3.960 -0.000 0.000 0.293 72 G C -1.650 173.310 174.900 0.099 0.000 1.298 72 G CA -0.157 44.969 45.100 0.043 0.000 0.868 72 G HN 2.003 nan 8.290 nan 0.000 0.540 73 F N -0.699 119.230 119.950 -0.036 0.000 2.613 73 F HA 0.884 5.411 4.527 -0.000 0.000 0.310 73 F C -0.073 175.714 175.800 -0.022 0.000 1.085 73 F CA -1.202 56.772 58.000 -0.043 0.000 0.945 73 F CB 1.677 40.631 39.000 -0.077 0.000 1.298 73 F HN 0.708 nan 8.300 nan 0.000 0.455 74 S N 0.828 116.577 115.700 0.081 0.000 2.537 74 S HA 0.735 5.205 4.470 -0.000 0.000 0.301 74 S C -1.212 173.503 174.600 0.191 0.000 1.092 74 S CA -0.431 57.810 58.200 0.069 0.000 1.048 74 S CB 2.333 65.538 63.200 0.008 0.000 1.053 74 S HN 0.891 nan 8.310 nan 0.000 0.501 75 D N 0.026 120.542 120.400 0.193 0.000 3.402 75 D HA 0.435 5.074 4.640 -0.000 0.000 0.287 75 D C -0.518 175.855 176.300 0.121 0.000 1.365 75 D CA 0.115 54.224 54.000 0.182 0.000 1.012 75 D CB 0.829 41.792 40.800 0.272 0.000 1.325 75 D HN 0.576 nan 8.370 nan 0.000 0.627 76 S N -1.136 114.625 115.700 0.102 0.000 3.447 76 S HA 0.062 4.532 4.470 -0.000 0.000 0.371 76 S C -0.376 174.254 174.600 0.051 0.000 0.951 76 S CA 1.310 59.548 58.200 0.063 0.000 1.269 76 S CB -1.749 61.485 63.200 0.056 0.000 0.919 76 S HN 1.376 nan 8.310 nan 0.000 0.516 77 A N 1.956 124.805 122.820 0.049 0.000 2.134 77 A HA 0.406 4.726 4.320 -0.000 0.000 0.229 77 A C 0.352 177.958 177.584 0.035 0.000 2.614 77 A CA 0.348 52.407 52.037 0.037 0.000 1.956 77 A CB -0.900 18.124 19.000 0.040 0.000 0.478 77 A HN 0.823 nan 8.150 nan 0.000 0.878 78 N N 1.605 120.322 118.700 0.029 0.000 2.692 78 N HA -0.167 4.572 4.740 -0.000 0.000 0.261 78 N C 0.504 176.018 175.510 0.007 0.000 0.962 78 N CA 1.582 54.643 53.050 0.018 0.000 0.844 78 N CB -0.617 37.875 38.487 0.009 0.000 0.942 78 N HN 0.825 nan 8.380 nan 0.000 0.563 79 T N -2.004 112.558 114.554 0.013 0.000 2.825 79 T HA 0.074 4.424 4.350 -0.000 0.000 0.270 79 T C 0.683 175.337 174.700 -0.075 0.000 0.919 79 T CA -0.344 61.746 62.100 -0.016 0.000 1.159 79 T CB 0.228 69.108 68.868 0.021 0.000 0.889 79 T HN 0.191 nan 8.240 nan 0.000 0.565 80 S N 2.765 118.430 115.700 -0.060 0.000 3.348 80 S HA -0.063 4.406 4.470 -0.000 0.000 0.126 80 S C 0.047 174.587 174.600 -0.099 0.000 0.296 80 S CA 0.027 58.188 58.200 -0.065 0.000 1.477 80 S CB -1.139 62.032 63.200 -0.049 0.000 0.707 80 S HN 0.653 nan 8.310 nan 0.000 0.250 81 L N -0.478 120.678 121.223 -0.112 0.000 2.371 81 L HA 0.781 5.121 4.340 -0.000 0.000 0.262 81 L C 0.779 177.631 176.870 -0.031 0.000 1.006 81 L CA 0.817 55.588 54.840 -0.115 0.000 0.818 81 L CB 1.354 43.254 42.059 -0.266 0.000 1.354 81 L HN 0.319 nan 8.230 nan 0.000 0.415 82 G N 1.082 109.876 108.800 -0.011 0.000 2.162 82 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 82 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 82 G C 0.150 175.040 174.900 -0.016 0.000 0.976 82 G CA 0.188 45.286 45.100 -0.003 0.000 0.655 82 G HN 0.441 nan 8.290 nan 0.000 0.533 83 K N 1.351 121.737 120.400 -0.023 0.000 2.249 83 K HA 0.335 4.655 4.320 -0.000 0.000 0.280 83 K C 1.056 177.642 176.600 -0.023 0.000 1.033 83 K CA -0.061 56.212 56.287 -0.023 0.000 0.946 83 K CB 0.999 33.482 32.500 -0.028 0.000 1.005 83 K HN 0.720 nan 8.250 nan 0.000 0.469 84 K N 0.592 120.980 120.400 -0.020 0.000 5.163 84 K HA -0.235 4.085 4.320 -0.000 0.000 0.320 84 K C 0.418 177.004 176.600 -0.023 0.000 0.822 84 K CA 1.097 57.372 56.287 -0.019 0.000 0.981 84 K CB -2.606 29.883 32.500 -0.017 0.000 1.877 84 K HN 0.924 nan 8.250 nan 0.000 0.400 85 G N 1.404 110.189 108.800 -0.024 0.000 2.453 85 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.313 85 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.313 85 G C 0.198 175.075 174.900 -0.039 0.000 0.948 85 G CA 1.053 46.135 45.100 -0.030 0.000 0.846 85 G HN 0.895 nan 8.290 nan 0.000 0.512 86 E N 1.205 121.383 120.200 -0.038 0.000 2.415 86 E HA 0.309 4.659 4.350 -0.000 0.000 0.260 86 E C 1.453 178.013 176.600 -0.066 0.000 1.016 86 E CA 0.305 56.677 56.400 -0.047 0.000 0.924 86 E CB 0.266 29.945 29.700 -0.036 0.000 0.961 86 E HN 0.441 nan 8.360 nan 0.000 0.459 87 T N 1.666 116.163 114.554 -0.095 0.000 2.856 87 T HA -0.017 4.333 4.350 -0.000 0.000 0.306 87 T C 1.137 175.735 174.700 -0.170 0.000 1.062 87 T CA -0.715 61.304 62.100 -0.135 0.000 1.083 87 T CB 0.870 69.638 68.868 -0.167 0.000 0.984 87 T HN 0.521 nan 8.240 nan 0.000 0.542 88 L N 2.080 123.178 121.223 -0.208 0.000 2.093 88 L HA 0.121 4.461 4.340 -0.000 0.000 0.208 88 L C 2.779 179.455 176.870 -0.323 0.000 1.085 88 L CA 2.206 56.898 54.840 -0.246 0.000 0.755 88 L CB -1.432 40.430 42.059 -0.328 0.000 0.904 88 L HN 0.960 nan 8.230 nan 0.000 0.435 89 A N -0.518 121.983 122.820 -0.531 0.000 1.873 89 A HA -0.285 4.034 4.320 -0.000 0.000 0.218 89 A C 2.008 179.198 177.584 -0.656 0.000 1.193 89 A CA 2.201 53.568 52.037 -1.116 0.000 0.629 89 A CB -1.002 17.030 19.000 -1.614 0.000 0.826 89 A HN 0.521 nan 8.150 nan 0.000 0.447 90 D N -0.789 119.384 120.400 -0.378 0.000 2.178 90 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 90 D C 2.053 178.296 176.300 -0.095 0.000 0.980 90 D CA 1.706 55.598 54.000 -0.180 0.000 0.842 90 D CB -0.619 40.106 40.800 -0.125 0.000 0.948 90 D HN 0.463 nan 8.370 nan 0.000 0.472 91 T N 1.053 115.560 114.554 -0.078 0.000 2.708 91 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 91 T C 1.883 176.595 174.700 0.019 0.000 1.037 91 T CA 0.485 62.587 62.100 0.004 0.000 1.146 91 T CB -0.000 68.912 68.868 0.073 0.000 0.865 91 T HN 0.079 nan 8.240 nan 0.000 0.435 92 I N 1.759 122.333 120.570 0.005 0.000 2.394 92 I HA -0.051 4.119 4.170 -0.000 0.000 0.251 92 I C 2.447 178.581 176.117 0.029 0.000 1.136 92 I CA 1.016 62.338 61.300 0.036 0.000 1.425 92 I CB -1.408 36.627 38.000 0.058 0.000 1.079 92 I HN 0.167 nan 8.210 nan 0.000 0.425 93 S N 0.280 115.999 115.700 0.032 0.000 2.428 93 S HA -0.034 4.436 4.470 -0.000 0.000 0.230 93 S C 2.170 176.770 174.600 -0.000 0.000 1.014 93 S CA 0.635 58.873 58.200 0.062 0.000 0.957 93 S CB 0.042 63.298 63.200 0.095 0.000 0.784 93 S HN 0.256 nan 8.310 nan 0.000 0.499 94 V N 1.583 121.483 119.914 -0.024 0.000 2.500 94 V HA 0.056 4.176 4.120 -0.000 0.000 0.243 94 V C 1.975 177.935 176.094 -0.223 0.000 1.039 94 V CA 0.947 63.221 62.300 -0.043 0.000 1.053 94 V CB -0.432 31.403 31.823 0.019 0.000 0.695 94 V HN 0.424 nan 8.190 nan 0.000 0.463 95 I N 1.383 121.812 120.570 -0.235 0.000 2.286 95 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 95 I C 2.421 178.242 176.117 -0.493 0.000 1.115 95 I CA 1.847 62.878 61.300 -0.448 0.000 1.392 95 I CB -0.379 37.546 38.000 -0.125 0.000 1.065 95 I HN 0.454 nan 8.210 nan 0.000 0.418 96 S N -1.236 114.326 115.700 -0.230 0.000 2.603 96 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 96 S C 1.710 176.220 174.600 -0.149 0.000 0.972 96 S CA 0.807 58.916 58.200 -0.151 0.000 0.935 96 S CB -0.506 62.666 63.200 -0.046 0.000 0.769 96 S HN 0.302 nan 8.310 nan 0.000 0.536 97 T N 1.624 116.049 114.554 -0.215 0.000 3.113 97 T HA 0.056 4.406 4.350 -0.000 0.000 0.263 97 T C 0.350 175.080 174.700 0.050 0.000 1.143 97 T CA 0.899 62.964 62.100 -0.059 0.000 1.090 97 T CB -0.310 68.551 68.868 -0.013 0.000 0.922 97 T HN 0.913 nan 8.240 nan 0.000 0.521 98 Y N -1.601 118.721 120.300 0.037 0.000 2.926 98 Y HA 0.505 5.055 4.550 -0.000 0.000 0.279 98 Y C -0.275 175.645 175.900 0.033 0.000 1.035 98 Y CA -1.568 56.552 58.100 0.033 0.000 1.268 98 Y CB -0.539 37.939 38.460 0.031 0.000 1.392 98 Y HN -0.018 nan 8.280 nan 0.000 0.585 99 V N -2.176 117.801 119.914 0.104 0.000 2.994 99 V HA 0.553 4.673 4.120 -0.000 0.000 0.318 99 V C 0.144 176.268 176.094 0.049 0.000 1.085 99 V CA -0.538 61.820 62.300 0.097 0.000 0.998 99 V CB 2.231 34.086 31.823 0.053 0.000 1.063 99 V HN 0.075 nan 8.190 nan 0.000 0.447 100 D N 1.033 121.460 120.400 0.045 0.000 2.354 100 D HA 0.461 5.101 4.640 -0.000 0.000 0.209 100 D C 0.559 176.864 176.300 0.008 0.000 1.015 100 D CA 1.386 55.404 54.000 0.030 0.000 0.867 100 D CB 1.238 42.064 40.800 0.043 0.000 0.933 100 D HN 0.950 nan 8.370 nan 0.000 0.520 101 A N 0.284 123.105 122.820 0.000 0.000 2.594 101 A HA 0.603 4.923 4.320 -0.000 0.000 0.296 101 A C -1.448 176.121 177.584 -0.024 0.000 1.061 101 A CA -0.605 51.425 52.037 -0.011 0.000 0.689 101 A CB 1.175 20.167 19.000 -0.012 0.000 1.280 101 A HN 0.005 nan 8.150 nan 0.000 0.406 102 I N 1.401 121.954 120.570 -0.028 0.000 2.404 102 I HA 0.504 4.674 4.170 -0.000 0.000 0.293 102 I C -0.773 175.276 176.117 -0.113 0.000 0.992 102 I CA -0.968 60.299 61.300 -0.055 0.000 1.149 102 I CB 2.010 39.998 38.000 -0.021 0.000 1.315 102 I HN 0.359 nan 8.210 nan 0.000 0.446 103 V N 7.418 127.212 119.914 -0.200 0.000 2.417 103 V HA 0.561 4.681 4.120 -0.000 0.000 0.291 103 V C -0.126 175.747 176.094 -0.369 0.000 1.024 103 V CA -0.495 61.595 62.300 -0.350 0.000 0.861 103 V CB 1.612 33.086 31.823 -0.582 0.000 0.985 103 V HN 0.743 nan 8.190 nan 0.000 0.436 104 M N 4.221 123.607 119.600 -0.357 0.000 2.484 104 M HA 0.737 5.216 4.480 -0.000 0.000 0.289 104 M C -1.091 174.960 176.300 -0.415 0.000 1.206 104 M CA -0.778 54.304 55.300 -0.362 0.000 0.892 104 M CB 2.631 35.216 32.600 -0.025 0.000 1.712 104 M HN 0.483 nan 8.290 nan 0.000 0.462 105 R N 1.341 121.511 120.500 -0.549 0.000 2.711 105 R HA 0.613 4.952 4.340 -0.000 0.000 0.284 105 R C -1.734 174.596 176.300 0.051 0.000 0.968 105 R CA -0.418 55.485 56.100 -0.329 0.000 0.924 105 R CB 1.429 31.430 30.300 -0.497 0.000 1.162 105 R HN 0.930 nan 8.270 nan 0.000 0.465 106 H N 4.304 123.358 119.070 -0.026 0.000 3.046 106 H HA 0.249 4.805 4.556 -0.000 0.000 0.363 106 H C -2.319 173.000 175.328 -0.015 0.000 1.203 106 H CA -1.780 54.279 56.048 0.020 0.000 1.169 106 H CB 2.869 32.569 29.762 -0.104 0.000 1.851 106 H HN 0.426 nan 8.280 nan 0.000 0.546 107 P HA -0.032 nan 4.420 nan 0.000 0.229 107 P C -0.139 177.208 177.300 0.078 0.000 1.160 107 P CA 0.691 63.768 63.100 -0.039 0.000 0.777 107 P CB 1.008 32.649 31.700 -0.099 0.000 0.814 108 Q N 0.546 120.499 119.800 0.255 0.000 2.235 108 Q HA 0.230 4.570 4.340 -0.000 0.000 0.250 108 Q C -0.400 175.642 176.000 0.069 0.000 0.909 108 Q CA -0.595 55.291 55.803 0.138 0.000 0.910 108 Q CB 0.901 29.717 28.738 0.130 0.000 1.223 108 Q HN 0.022 nan 8.270 nan 0.000 0.432 109 E N 0.209 120.422 120.200 0.021 0.000 2.316 109 E HA 0.331 4.681 4.350 -0.000 0.000 0.275 109 E C 0.657 177.236 176.600 -0.035 0.000 1.029 109 E CA 0.916 57.316 56.400 -0.000 0.000 0.871 109 E CB 0.756 30.457 29.700 0.002 0.000 1.022 109 E HN 0.851 nan 8.360 nan 0.000 0.418 110 G N 1.848 110.617 108.800 -0.051 0.000 2.231 110 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.206 110 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.206 110 G C 1.135 175.964 174.900 -0.119 0.000 0.996 110 G CA 0.278 45.335 45.100 -0.072 0.000 0.645 110 G HN 0.624 nan 8.290 nan 0.000 0.498 111 A N 0.745 123.454 122.820 -0.184 0.000 1.930 111 A HA 0.466 4.786 4.320 -0.000 0.000 0.217 111 A C 2.750 180.199 177.584 -0.225 0.000 1.175 111 A CA 2.626 54.468 52.037 -0.325 0.000 0.627 111 A CB -0.727 17.870 19.000 -0.671 0.000 0.815 111 A HN 1.709 nan 8.150 nan 0.000 0.443 112 A N -0.198 122.540 122.820 -0.136 0.000 1.930 112 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 112 A C 2.196 179.718 177.584 -0.103 0.000 1.175 112 A CA 1.654 53.633 52.037 -0.096 0.000 0.627 112 A CB -0.421 18.546 19.000 -0.055 0.000 0.815 112 A HN 0.564 nan 8.150 nan 0.000 0.443 113 R N -0.323 120.122 120.500 -0.092 0.000 2.092 113 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 113 R C 2.033 178.274 176.300 -0.098 0.000 1.119 113 R CA 1.397 57.439 56.100 -0.096 0.000 0.970 113 R CB -0.422 29.838 30.300 -0.067 0.000 0.864 113 R HN 0.518 nan 8.270 nan 0.000 0.440 114 L N 0.229 121.405 121.223 -0.078 0.000 2.083 114 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 114 L C 2.323 179.222 176.870 0.049 0.000 1.083 114 L CA 1.627 56.460 54.840 -0.012 0.000 0.752 114 L CB -0.447 41.589 42.059 -0.038 0.000 0.899 114 L HN 0.352 nan 8.230 nan 0.000 0.433 115 A N -0.705 122.099 122.820 -0.026 0.000 1.908 115 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 115 A C 2.209 179.777 177.584 -0.028 0.000 1.181 115 A CA 2.411 54.455 52.037 0.012 0.000 0.627 115 A CB -1.230 17.746 19.000 -0.040 0.000 0.818 115 A HN 0.504 nan 8.150 nan 0.000 0.445 116 T N -0.011 114.430 114.554 -0.188 0.000 2.760 116 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 116 T C 1.537 176.063 174.700 -0.289 0.000 1.047 116 T CA 1.853 63.706 62.100 -0.411 0.000 1.139 116 T CB -0.298 68.259 68.868 -0.519 0.000 0.855 116 T HN 0.707 nan 8.240 nan 0.000 0.471 117 E N -0.807 119.241 120.200 -0.254 0.000 2.427 117 E HA 0.054 4.404 4.350 -0.000 0.000 0.196 117 E C 0.914 176.993 176.600 -0.868 0.000 1.028 117 E CA 0.524 56.636 56.400 -0.480 0.000 0.864 117 E CB 0.097 29.510 29.700 -0.479 0.000 0.813 117 E HN 0.530 nan 8.360 nan 0.000 0.514 118 F N -1.078 118.824 119.950 -0.080 0.000 2.752 118 F HA 0.060 4.586 4.527 -0.000 0.000 0.310 118 F C 2.231 178.004 175.800 -0.046 0.000 1.097 118 F CA 0.172 58.137 58.000 -0.058 0.000 1.238 118 F CB 0.477 39.440 39.000 -0.062 0.000 1.061 118 F HN -0.066 nan 8.300 nan 0.000 0.591 119 S N -0.751 114.965 115.700 0.027 0.000 2.527 119 S HA 0.367 4.837 4.470 -0.000 0.000 0.222 119 S C 1.725 176.340 174.600 0.026 0.000 0.985 119 S CA 0.631 58.854 58.200 0.037 0.000 0.921 119 S CB -0.474 62.750 63.200 0.040 0.000 0.772 119 S HN 0.560 nan 8.310 nan 0.000 0.529 120 G N 2.784 111.585 108.800 0.001 0.000 2.609 120 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.288 120 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.288 120 G C 0.405 175.320 174.900 0.025 0.000 1.211 120 G CA 0.314 45.415 45.100 0.002 0.000 0.963 120 G HN 0.473 nan 8.290 nan 0.000 0.541 121 N N 0.550 119.257 118.700 0.010 0.000 2.204 121 N HA 0.304 5.044 4.740 -0.000 0.000 0.219 121 N C 0.114 175.606 175.510 -0.030 0.000 1.151 121 N CA 0.455 53.494 53.050 -0.018 0.000 0.867 121 N CB 1.160 39.630 38.487 -0.028 0.000 1.043 121 N HN 0.370 nan 8.380 nan 0.000 0.516 122 V N 4.269 124.191 119.914 0.013 0.000 2.406 122 V HA 0.242 4.361 4.120 -0.000 0.000 0.272 122 V C -1.942 174.179 176.094 0.044 0.000 1.043 122 V CA -1.456 60.847 62.300 0.004 0.000 0.915 122 V CB 1.507 33.336 31.823 0.010 0.000 0.988 122 V HN 0.024 nan 8.190 nan 0.000 0.466 123 P HA 0.134 nan 4.420 nan 0.000 0.271 123 P C -0.743 176.633 177.300 0.128 0.000 1.216 123 P CA 0.020 63.111 63.100 -0.015 0.000 0.776 123 P CB 1.126 32.733 31.700 -0.154 0.000 0.881 124 V N 4.665 124.780 119.914 0.335 0.000 2.357 124 V HA 0.290 4.409 4.120 -0.000 0.000 0.284 124 V C 0.411 176.571 176.094 0.109 0.000 1.018 124 V CA -0.530 61.856 62.300 0.143 0.000 0.841 124 V CB 1.063 32.905 31.823 0.033 0.000 0.991 124 V HN 0.337 nan 8.190 nan 0.000 0.437 125 L N 4.041 125.281 121.223 0.028 0.000 2.322 125 L HA 0.585 4.924 4.340 -0.000 0.000 0.281 125 L C -0.155 176.718 176.870 0.004 0.000 1.014 125 L CA -0.630 54.238 54.840 0.046 0.000 0.815 125 L CB 1.698 43.795 42.059 0.063 0.000 1.247 125 L HN 0.529 nan 8.230 nan 0.000 0.421 126 N N 1.864 120.601 118.700 0.061 0.000 2.434 126 N HA 0.382 5.122 4.740 -0.000 0.000 0.272 126 N C 0.144 175.723 175.510 0.116 0.000 1.040 126 N CA -0.178 52.896 53.050 0.040 0.000 0.956 126 N CB 1.954 40.472 38.487 0.051 0.000 1.108 126 N HN 0.732 nan 8.380 nan 0.000 0.481 127 A N 2.159 124.991 122.820 0.020 0.000 2.387 127 A HA 0.562 4.882 4.320 -0.000 0.000 0.234 127 A C 0.570 178.116 177.584 -0.063 0.000 1.253 127 A CA 0.320 52.449 52.037 0.154 0.000 0.894 127 A CB -0.652 18.359 19.000 0.019 0.000 0.963 127 A HN 0.916 nan 8.150 nan 0.000 0.508 128 G N 0.701 109.425 108.800 -0.126 0.000 2.326 128 G HA2 0.381 4.341 3.960 -0.000 0.000 0.299 128 G HA3 0.381 4.341 3.960 -0.000 0.000 0.299 128 G C -1.897 172.948 174.900 -0.091 0.000 1.643 128 G CA -0.247 44.710 45.100 -0.239 0.000 0.916 128 G HN 0.439 nan 8.290 nan 0.000 0.700 129 D N 1.460 121.836 120.400 -0.040 0.000 2.389 129 D HA 0.590 5.230 4.640 -0.000 0.000 0.256 129 D C 1.120 177.431 176.300 0.018 0.000 1.239 129 D CA 0.479 54.482 54.000 0.005 0.000 0.925 129 D CB 0.770 41.568 40.800 -0.004 0.000 1.145 129 D HN 1.856 nan 8.370 nan 0.000 0.542 130 G N 2.878 111.695 108.800 0.028 0.000 2.594 130 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.297 130 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.297 130 G C 0.759 175.681 174.900 0.036 0.000 1.273 130 G CA 0.697 45.816 45.100 0.031 0.000 0.974 130 G HN 1.168 nan 8.290 nan 0.000 0.552 131 S N 0.759 116.490 115.700 0.051 0.000 2.803 131 S HA 0.189 4.659 4.470 -0.000 0.000 0.228 131 S C 1.173 175.834 174.600 0.101 0.000 0.953 131 S CA 1.029 59.280 58.200 0.085 0.000 0.983 131 S CB 0.200 63.463 63.200 0.105 0.000 0.784 131 S HN 0.847 nan 8.310 nan 0.000 0.498 132 N N 1.381 120.126 118.700 0.074 0.000 2.400 132 N HA 0.134 4.874 4.740 -0.000 0.000 0.228 132 N C 0.235 175.806 175.510 0.101 0.000 1.023 132 N CA 0.695 53.791 53.050 0.077 0.000 1.150 132 N CB 0.169 38.680 38.487 0.040 0.000 1.452 132 N HN 0.284 nan 8.380 nan 0.000 0.605 133 Q N -1.118 118.734 119.800 0.088 0.000 2.552 133 Q HA 0.261 4.601 4.340 -0.000 0.000 0.289 133 Q C -1.145 174.951 176.000 0.160 0.000 1.097 133 Q CA -0.472 55.406 55.803 0.124 0.000 0.812 133 Q CB 1.791 30.591 28.738 0.104 0.000 1.460 133 Q HN 0.561 nan 8.270 nan 0.000 0.452 134 H N 0.268 119.393 119.070 0.092 0.000 3.061 134 H HA 0.234 4.790 4.556 -0.000 0.000 0.210 134 H C -2.269 173.126 175.328 0.112 0.000 1.326 134 H CA -1.733 54.380 56.048 0.108 0.000 1.380 134 H CB 0.369 30.198 29.762 0.112 0.000 2.147 134 H HN 0.239 nan 8.280 nan 0.000 0.562 135 P HA -0.114 nan 4.420 nan 0.000 0.217 135 P C 1.433 178.789 177.300 0.093 0.000 1.148 135 P CA 1.428 64.614 63.100 0.143 0.000 0.828 135 P CB 0.365 32.148 31.700 0.139 0.000 0.783 136 T N -1.076 113.544 114.554 0.109 0.000 2.985 136 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 136 T C 1.861 176.495 174.700 -0.109 0.000 1.076 136 T CA 1.112 63.221 62.100 0.015 0.000 1.135 136 T CB -0.405 68.517 68.868 0.091 0.000 0.890 136 T HN 0.121 nan 8.240 nan 0.000 0.480 137 Q N 1.001 120.628 119.800 -0.287 0.000 2.172 137 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 137 Q C 2.128 178.088 176.000 -0.067 0.000 0.964 137 Q CA 1.561 57.196 55.803 -0.280 0.000 0.855 137 Q CB -0.509 27.890 28.738 -0.566 0.000 0.918 137 Q HN 0.388 nan 8.270 nan 0.000 0.444 138 T N 0.699 115.239 114.554 -0.022 0.000 2.857 138 T HA -0.004 4.345 4.350 -0.000 0.000 0.266 138 T C 1.626 176.363 174.700 0.063 0.000 1.048 138 T CA 0.965 63.087 62.100 0.036 0.000 1.139 138 T CB -0.108 68.791 68.868 0.052 0.000 0.874 138 T HN 0.210 nan 8.240 nan 0.000 0.455 139 L N 1.017 122.273 121.223 0.054 0.000 2.046 139 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 139 L C 2.519 179.449 176.870 0.100 0.000 1.077 139 L CA 1.199 56.081 54.840 0.070 0.000 0.747 139 L CB -0.795 41.286 42.059 0.038 0.000 0.896 139 L HN 0.331 nan 8.230 nan 0.000 0.432 140 L N -2.587 118.681 121.223 0.075 0.000 2.141 140 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 140 L C 1.908 178.910 176.870 0.220 0.000 1.094 140 L CA 1.592 56.522 54.840 0.149 0.000 0.763 140 L CB -0.842 41.263 42.059 0.076 0.000 0.908 140 L HN 0.039 nan 8.230 nan 0.000 0.437 141 D N 0.895 121.401 120.400 0.176 0.000 2.078 141 D HA -0.140 4.499 4.640 -0.000 0.000 0.193 141 D C 2.393 178.799 176.300 0.176 0.000 0.990 141 D CA 1.890 56.017 54.000 0.211 0.000 0.827 141 D CB -0.425 40.496 40.800 0.203 0.000 0.975 141 D HN 0.388 nan 8.370 nan 0.000 0.451 142 L N 0.009 121.312 121.223 0.134 0.000 2.021 142 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 142 L C 2.447 179.410 176.870 0.154 0.000 1.074 142 L CA 1.000 55.901 54.840 0.100 0.000 0.760 142 L CB -0.481 41.632 42.059 0.090 0.000 0.889 142 L HN -0.010 nan 8.230 nan 0.000 0.433 143 F N 0.913 120.895 119.950 0.053 0.000 2.095 143 F HA -0.242 4.284 4.527 -0.000 0.000 0.298 143 F C 2.518 178.370 175.800 0.086 0.000 1.104 143 F CA 2.118 60.158 58.000 0.067 0.000 1.232 143 F CB -0.656 38.402 39.000 0.096 0.000 0.987 143 F HN -0.039 nan 8.300 nan 0.000 0.475 144 T N 1.173 115.805 114.554 0.129 0.000 2.867 144 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 144 T C 2.179 176.879 174.700 0.000 0.000 1.057 144 T CA 1.660 63.795 62.100 0.059 0.000 1.136 144 T CB -0.360 68.648 68.868 0.234 0.000 0.874 144 T HN 0.275 nan 8.240 nan 0.000 0.466 145 I N 0.777 121.356 120.570 0.016 0.000 2.286 145 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 145 I C 2.858 178.915 176.117 -0.101 0.000 1.104 145 I CA 1.132 62.413 61.300 -0.033 0.000 1.397 145 I CB -0.389 37.600 38.000 -0.017 0.000 1.072 145 I HN 0.250 nan 8.210 nan 0.000 0.417 146 Q N 1.192 120.926 119.800 -0.111 0.000 2.050 146 Q HA -0.289 4.050 4.340 -0.000 0.000 0.202 146 Q C 2.177 178.074 176.000 -0.173 0.000 0.980 146 Q CA 2.035 57.759 55.803 -0.131 0.000 0.840 146 Q CB -0.077 28.611 28.738 -0.083 0.000 0.898 146 Q HN 0.519 nan 8.270 nan 0.000 0.424 147 E N -0.540 119.494 120.200 -0.277 0.000 2.150 147 E HA -0.154 4.195 4.350 -0.000 0.000 0.193 147 E C 1.678 178.160 176.600 -0.196 0.000 0.985 147 E CA 1.680 57.905 56.400 -0.292 0.000 0.814 147 E CB 0.051 29.432 29.700 -0.532 0.000 0.752 147 E HN 0.527 nan 8.360 nan 0.000 0.466 148 T N -2.201 112.233 114.554 -0.200 0.000 3.044 148 T HA 0.054 4.404 4.350 -0.000 0.000 0.255 148 T C 1.651 176.222 174.700 -0.215 0.000 1.073 148 T CA 0.092 62.036 62.100 -0.260 0.000 1.125 148 T CB 0.320 68.935 68.868 -0.421 0.000 0.908 148 T HN -0.008 nan 8.240 nan 0.000 0.480 149 Q N 0.450 120.150 119.800 -0.167 0.000 2.352 149 Q HA 0.348 4.688 4.340 -0.000 0.000 0.212 149 Q C 1.946 177.877 176.000 -0.116 0.000 0.888 149 Q CA 0.811 56.533 55.803 -0.136 0.000 0.934 149 Q CB 0.397 29.065 28.738 -0.117 0.000 1.093 149 Q HN 0.727 nan 8.270 nan 0.000 0.523 150 G N 2.205 110.937 108.800 -0.113 0.000 2.234 150 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 150 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 150 G C 0.340 175.193 174.900 -0.079 0.000 0.987 150 G CA 0.669 45.715 45.100 -0.090 0.000 0.625 150 G HN 0.426 nan 8.290 nan 0.000 0.532 151 R N -2.013 118.431 120.500 -0.093 0.000 2.781 151 R HA 0.795 5.135 4.340 -0.000 0.000 0.269 151 R C -0.315 175.898 176.300 -0.145 0.000 1.025 151 R CA -1.077 54.967 56.100 -0.094 0.000 0.914 151 R CB 0.532 30.790 30.300 -0.071 0.000 1.236 151 R HN 0.247 nan 8.270 nan 0.000 0.465 152 L N 0.697 121.794 121.223 -0.210 0.000 2.959 152 L HA 0.320 4.660 4.340 -0.000 0.000 0.259 152 L C -1.243 175.473 176.870 -0.256 0.000 1.185 152 L CA 0.304 54.917 54.840 -0.378 0.000 0.998 152 L CB -0.248 41.312 42.059 -0.830 0.000 1.337 152 L HN 0.809 nan 8.230 nan 0.000 0.555 153 D N -3.463 116.884 120.400 -0.088 0.000 2.523 153 D HA 0.404 5.044 4.640 -0.000 0.000 0.236 153 D C -0.111 176.171 176.300 -0.030 0.000 1.094 153 D CA -0.778 53.233 54.000 0.018 0.000 0.942 153 D CB 0.364 41.229 40.800 0.109 0.000 1.447 153 D HN -0.074 nan 8.370 nan 0.000 0.479 154 N N -1.370 117.315 118.700 -0.025 0.000 2.747 154 N HA -0.175 4.565 4.740 -0.000 0.000 0.249 154 N C -1.011 174.430 175.510 -0.116 0.000 1.107 154 N CA 0.383 53.394 53.050 -0.066 0.000 0.707 154 N CB -1.306 37.140 38.487 -0.070 0.000 1.054 154 N HN 0.400 nan 8.380 nan 0.000 0.555 155 L N 0.006 121.163 121.223 -0.110 0.000 2.399 155 L HA 0.371 4.710 4.340 -0.000 0.000 0.265 155 L C 0.655 177.490 176.870 -0.059 0.000 1.089 155 L CA -0.598 54.173 54.840 -0.114 0.000 0.802 155 L CB 0.838 42.832 42.059 -0.108 0.000 1.180 155 L HN 0.249 nan 8.230 nan 0.000 0.454 156 H N 1.297 120.276 119.070 -0.152 0.000 2.661 156 H HA 0.375 4.931 4.556 -0.000 0.000 0.290 156 H C -1.038 174.243 175.328 -0.079 0.000 1.082 156 H CA -0.700 55.267 56.048 -0.136 0.000 1.234 156 H CB 1.402 31.183 29.762 0.031 0.000 1.387 156 H HN 0.185 nan 8.280 nan 0.000 0.476 157 V N 3.074 122.919 119.914 -0.116 0.000 2.384 157 V HA 0.443 4.563 4.120 -0.000 0.000 0.287 157 V C 0.062 176.233 176.094 0.129 0.000 1.020 157 V CA -0.657 61.648 62.300 0.009 0.000 0.850 157 V CB 1.300 33.099 31.823 -0.040 0.000 0.987 157 V HN 0.804 nan 8.190 nan 0.000 0.436 158 A N 7.305 130.267 122.820 0.237 0.000 2.312 158 A HA 0.914 5.234 4.320 -0.000 0.000 0.326 158 A C -0.371 177.400 177.584 0.312 0.000 1.172 158 A CA -0.580 51.636 52.037 0.298 0.000 0.821 158 A CB 0.874 20.010 19.000 0.226 0.000 1.166 158 A HN 0.752 nan 8.150 nan 0.000 0.493 159 M N 3.005 122.829 119.600 0.374 0.000 2.190 159 M HA 0.433 4.912 4.480 -0.000 0.000 0.312 159 M C -1.326 175.182 176.300 0.345 0.000 0.990 159 M CA -0.521 55.012 55.300 0.388 0.000 0.927 159 M CB 1.555 34.423 32.600 0.447 0.000 1.571 159 M HN 0.304 nan 8.290 nan 0.000 0.427 160 V N 2.154 122.232 119.914 0.273 0.000 2.540 160 V HA 0.964 5.083 4.120 -0.000 0.000 0.302 160 V C 0.453 176.664 176.094 0.195 0.000 1.035 160 V CA 0.127 62.581 62.300 0.257 0.000 0.873 160 V CB 1.517 33.469 31.823 0.215 0.000 0.992 160 V HN 1.168 nan 8.190 nan 0.000 0.428 161 G N 4.383 113.286 108.800 0.172 0.000 2.250 161 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.189 161 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.189 161 G C -1.185 173.695 174.900 -0.034 0.000 1.298 161 G CA -0.022 45.114 45.100 0.060 0.000 1.246 161 G HN 0.775 nan 8.290 nan 0.000 0.513 162 D N 1.317 121.707 120.400 -0.017 0.000 2.373 162 D HA 0.585 5.225 4.640 -0.000 0.000 0.227 162 D C 1.404 177.680 176.300 -0.040 0.000 1.091 162 D CA -0.533 53.450 54.000 -0.029 0.000 0.840 162 D CB 0.709 41.537 40.800 0.046 0.000 1.060 162 D HN 0.360 nan 8.370 nan 0.000 0.502 163 L N 3.191 124.365 121.223 -0.081 0.000 2.556 163 L HA 0.175 4.515 4.340 -0.000 0.000 0.226 163 L C 2.194 179.006 176.870 -0.096 0.000 1.089 163 L CA -0.056 54.720 54.840 -0.106 0.000 0.864 163 L CB 0.093 42.070 42.059 -0.137 0.000 1.067 163 L HN 0.363 nan 8.230 nan 0.000 0.477 164 K N 0.213 120.511 120.400 -0.171 0.000 2.116 164 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 164 K C 1.310 177.763 176.600 -0.244 0.000 1.052 164 K CA 1.356 57.467 56.287 -0.294 0.000 0.952 164 K CB 0.229 32.363 32.500 -0.609 0.000 0.729 164 K HN 0.186 nan 8.250 nan 0.000 0.446 165 Y N -0.821 119.497 120.300 0.031 0.000 2.481 165 Y HA 0.287 4.837 4.550 -0.000 0.000 0.247 165 Y C 0.811 176.670 175.900 -0.069 0.000 1.151 165 Y CA -0.416 57.705 58.100 0.034 0.000 1.238 165 Y CB 0.723 39.200 38.460 0.028 0.000 1.179 165 Y HN -0.066 nan 8.280 nan 0.000 0.524 166 G N 1.563 110.317 108.800 -0.077 0.000 2.439 166 G HA2 0.064 4.023 3.960 -0.000 0.000 0.298 166 G HA3 0.064 4.023 3.960 -0.000 0.000 0.298 166 G C 1.144 175.821 174.900 -0.371 0.000 1.044 166 G CA -0.371 44.641 45.100 -0.147 0.000 1.168 166 G HN 0.274 nan 8.290 nan 0.000 0.433 167 R N 1.800 122.218 120.500 -0.137 0.000 2.105 167 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 167 R C 2.528 178.819 176.300 -0.015 0.000 1.135 167 R CA 2.252 58.327 56.100 -0.042 0.000 0.967 167 R CB -0.498 29.855 30.300 0.087 0.000 0.861 167 R HN 0.603 nan 8.270 nan 0.000 0.442 168 T N -1.248 113.324 114.554 0.030 0.000 2.812 168 T HA -0.090 4.260 4.350 -0.000 0.000 0.264 168 T C 2.050 176.741 174.700 -0.014 0.000 1.042 168 T CA 1.392 63.535 62.100 0.071 0.000 1.140 168 T CB -0.793 68.175 68.868 0.166 0.000 0.870 168 T HN 0.209 nan 8.240 nan 0.000 0.445 169 V N -0.101 119.776 119.914 -0.061 0.000 2.594 169 V HA -0.142 3.978 4.120 -0.000 0.000 0.253 169 V C 2.304 178.344 176.094 -0.089 0.000 1.069 169 V CA 1.704 63.940 62.300 -0.107 0.000 1.082 169 V CB -1.518 30.271 31.823 -0.056 0.000 0.680 169 V HN 0.634 nan 8.190 nan 0.000 0.469 170 H N 0.750 119.771 119.070 -0.083 0.000 2.363 170 H HA -0.006 4.549 4.556 -0.000 0.000 0.301 170 H C 2.603 177.882 175.328 -0.081 0.000 1.074 170 H CA 1.270 57.241 56.048 -0.128 0.000 1.354 170 H CB 0.058 29.777 29.762 -0.071 0.000 1.397 170 H HN 0.462 nan 8.280 nan 0.000 0.516 171 S N 0.726 116.479 115.700 0.088 0.000 2.406 171 S HA -0.095 4.375 4.470 -0.000 0.000 0.228 171 S C 2.011 176.620 174.600 0.015 0.000 1.020 171 S CA 0.573 58.812 58.200 0.065 0.000 0.965 171 S CB -0.095 63.157 63.200 0.087 0.000 0.798 171 S HN 0.169 nan 8.310 nan 0.000 0.488 172 L N 1.866 123.062 121.223 -0.044 0.000 2.156 172 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 172 L C 2.162 179.011 176.870 -0.036 0.000 1.095 172 L CA 1.609 56.408 54.840 -0.069 0.000 0.770 172 L CB -1.128 40.784 42.059 -0.245 0.000 0.914 172 L HN 0.176 nan 8.230 nan 0.000 0.439 173 T N -0.809 113.686 114.554 -0.097 0.000 2.788 173 T HA -0.195 4.154 4.350 -0.000 0.000 0.268 173 T C 1.790 176.410 174.700 -0.134 0.000 1.044 173 T CA 1.650 63.620 62.100 -0.216 0.000 1.139 173 T CB -0.138 68.533 68.868 -0.329 0.000 0.867 173 T HN 0.481 nan 8.240 nan 0.000 0.454 174 Q N 0.339 120.101 119.800 -0.063 0.000 2.172 174 Q HA 0.096 4.436 4.340 -0.000 0.000 0.200 174 Q C 2.718 178.752 176.000 0.058 0.000 0.964 174 Q CA 1.128 56.925 55.803 -0.010 0.000 0.855 174 Q CB -0.218 28.525 28.738 0.009 0.000 0.918 174 Q HN 0.546 nan 8.270 nan 0.000 0.444 175 A N 1.128 124.001 122.820 0.089 0.000 1.855 175 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 175 A C 2.041 179.789 177.584 0.274 0.000 1.191 175 A CA 0.907 53.045 52.037 0.167 0.000 0.613 175 A CB -0.680 18.411 19.000 0.152 0.000 0.829 175 A HN 0.269 nan 8.150 nan 0.000 0.442 176 L N -0.558 120.817 121.223 0.253 0.000 2.265 176 L HA -0.167 4.172 4.340 -0.000 0.000 0.215 176 L C 2.765 179.875 176.870 0.399 0.000 1.117 176 L CA 0.771 55.824 54.840 0.355 0.000 0.782 176 L CB -0.432 41.868 42.059 0.401 0.000 0.914 176 L HN 0.451 nan 8.230 nan 0.000 0.441 177 A N -0.369 122.611 122.820 0.267 0.000 2.206 177 A HA -0.113 4.207 4.320 -0.000 0.000 0.211 177 A C 2.209 179.881 177.584 0.146 0.000 1.158 177 A CA 0.802 52.961 52.037 0.204 0.000 0.761 177 A CB -0.217 18.837 19.000 0.089 0.000 0.801 177 A HN 0.282 nan 8.150 nan 0.000 0.473 178 K N -1.354 119.133 120.400 0.145 0.000 2.288 178 K HA 0.057 4.377 4.320 -0.000 0.000 0.201 178 K C -0.375 176.085 176.600 -0.234 0.000 1.048 178 K CA 0.502 56.748 56.287 -0.069 0.000 0.956 178 K CB -0.057 32.339 32.500 -0.172 0.000 0.746 178 K HN 0.495 nan 8.250 nan 0.000 0.461 179 F N 0.691 120.684 119.950 0.073 0.000 2.461 179 F HA 0.179 4.706 4.527 -0.000 0.000 0.332 179 F C 0.760 176.596 175.800 0.060 0.000 1.073 179 F CA -0.908 57.128 58.000 0.060 0.000 1.017 179 F CB 0.663 39.699 39.000 0.059 0.000 1.301 179 F HN -0.187 nan 8.300 nan 0.000 0.492 180 D N -0.015 120.526 120.400 0.235 0.000 2.210 180 D HA 0.271 4.911 4.640 -0.000 0.000 0.249 180 D C 0.652 177.011 176.300 0.098 0.000 1.078 180 D CA 0.687 54.765 54.000 0.131 0.000 0.875 180 D CB 1.447 42.304 40.800 0.094 0.000 1.175 180 D HN 0.812 nan 8.370 nan 0.000 0.440 181 G N 2.632 111.475 108.800 0.071 0.000 2.258 181 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.274 181 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.274 181 G C 0.358 175.256 174.900 -0.003 0.000 1.021 181 G CA -0.024 45.097 45.100 0.035 0.000 0.798 181 G HN 0.502 nan 8.290 nan 0.000 0.507 182 N N -0.051 118.640 118.700 -0.015 0.000 2.503 182 N HA 0.451 5.191 4.740 -0.000 0.000 0.267 182 N C 0.481 175.797 175.510 -0.322 0.000 1.214 182 N CA 0.043 52.977 53.050 -0.192 0.000 0.959 182 N CB 0.666 38.990 38.487 -0.273 0.000 1.142 182 N HN 0.333 nan 8.380 nan 0.000 0.455 183 R N 0.991 121.175 120.500 -0.526 0.000 2.599 183 R HA 0.444 4.783 4.340 -0.000 0.000 0.295 183 R C -1.019 174.655 176.300 -1.044 0.000 0.963 183 R CA -0.571 55.172 56.100 -0.595 0.000 0.883 183 R CB 1.060 31.073 30.300 -0.479 0.000 1.171 183 R HN 0.400 nan 8.270 nan 0.000 0.450 184 F N 2.296 121.946 119.950 -0.501 0.000 2.495 184 F HA 0.435 4.961 4.527 -0.000 0.000 0.327 184 F C -0.568 174.696 175.800 -0.893 0.000 1.103 184 F CA -0.756 56.864 58.000 -0.635 0.000 0.949 184 F CB 1.283 39.943 39.000 -0.566 0.000 1.142 184 F HN 0.322 nan 8.300 nan 0.000 0.457 185 Y N 2.435 122.582 120.300 -0.253 0.000 2.350 185 Y HA 0.567 5.116 4.550 -0.000 0.000 0.338 185 Y C -1.034 174.791 175.900 -0.125 0.000 0.961 185 Y CA -1.420 56.605 58.100 -0.126 0.000 1.100 185 Y CB 1.150 39.619 38.460 0.015 0.000 1.179 185 Y HN 0.304 nan 8.280 nan 0.000 0.454 186 F N 4.081 124.288 119.950 0.428 0.000 2.444 186 F HA 0.629 5.156 4.527 -0.000 0.000 0.342 186 F C -0.437 175.530 175.800 0.279 0.000 1.121 186 F CA -1.586 56.585 58.000 0.285 0.000 0.997 186 F CB 1.139 40.253 39.000 0.190 0.000 1.130 186 F HN 0.231 nan 8.300 nan 0.000 0.454 187 I N 3.296 124.127 120.570 0.434 0.000 2.476 187 I HA 0.681 4.851 4.170 -0.000 0.000 0.281 187 I C -0.584 175.793 176.117 0.433 0.000 1.040 187 I CA -0.215 61.333 61.300 0.413 0.000 1.094 187 I CB 1.289 39.495 38.000 0.343 0.000 1.219 187 I HN 0.700 nan 8.210 nan 0.000 0.450 188 A N 7.554 130.557 122.820 0.304 0.000 2.549 188 A HA 0.918 5.238 4.320 -0.000 0.000 0.297 188 A C -2.886 174.528 177.584 -0.283 0.000 1.061 188 A CA -1.434 50.567 52.037 -0.060 0.000 0.690 188 A CB 1.637 20.608 19.000 -0.048 0.000 1.287 188 A HN 0.344 nan 8.150 nan 0.000 0.402 189 P HA 0.106 nan 4.420 nan 0.000 0.269 189 P C -0.218 176.974 177.300 -0.180 0.000 1.215 189 P CA 0.027 62.877 63.100 -0.418 0.000 0.780 189 P CB 0.695 32.086 31.700 -0.516 0.000 0.898 190 D N 2.059 122.409 120.400 -0.083 0.000 2.133 190 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 190 D C 1.798 178.062 176.300 -0.060 0.000 0.997 190 D CA 1.876 55.851 54.000 -0.042 0.000 0.840 190 D CB -0.516 40.279 40.800 -0.008 0.000 0.947 190 D HN 0.480 nan 8.370 nan 0.000 0.452 191 A N 0.623 123.406 122.820 -0.062 0.000 2.067 191 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 191 A C 2.049 179.583 177.584 -0.083 0.000 1.158 191 A CA 0.685 52.694 52.037 -0.048 0.000 0.661 191 A CB -0.371 18.622 19.000 -0.012 0.000 0.801 191 A HN 0.204 nan 8.150 nan 0.000 0.452 192 L N -0.213 120.937 121.223 -0.123 0.000 3.017 192 L HA 0.347 4.686 4.340 -0.000 0.000 0.255 192 L C 0.898 177.661 176.870 -0.179 0.000 1.247 192 L CA -0.489 54.258 54.840 -0.157 0.000 1.038 192 L CB -0.064 41.921 42.059 -0.123 0.000 1.380 192 L HN 0.311 nan 8.230 nan 0.000 0.548 193 A N 0.715 123.437 122.820 -0.163 0.000 2.547 193 A HA 0.090 4.409 4.320 -0.000 0.000 0.233 193 A C 0.270 177.715 177.584 -0.231 0.000 1.067 193 A CA -0.153 51.787 52.037 -0.161 0.000 0.763 193 A CB 0.069 18.991 19.000 -0.130 0.000 1.007 193 A HN 0.343 nan 8.150 nan 0.000 0.506 194 M N 4.433 123.851 119.600 -0.304 0.000 2.268 194 M HA 0.257 4.737 4.480 -0.000 0.000 0.349 194 M C -1.929 174.098 176.300 -0.456 0.000 1.485 194 M CA -1.740 53.286 55.300 -0.457 0.000 1.094 194 M CB 0.172 32.261 32.600 -0.852 0.000 1.843 194 M HN 0.472 nan 8.290 nan 0.000 0.460 195 P HA -0.035 nan 4.420 nan 0.000 0.266 195 P C -0.349 176.673 177.300 -0.463 0.000 1.195 195 P CA 0.060 62.909 63.100 -0.419 0.000 0.768 195 P CB 0.633 32.088 31.700 -0.408 0.000 0.838 196 Q N 2.813 122.454 119.800 -0.264 0.000 2.173 196 Q HA -0.232 4.108 4.340 -0.000 0.000 0.208 196 Q C 1.993 177.882 176.000 -0.186 0.000 0.989 196 Q CA 2.189 57.872 55.803 -0.201 0.000 0.872 196 Q CB -1.268 27.421 28.738 -0.080 0.000 0.909 196 Q HN 0.670 nan 8.270 nan 0.000 0.420 197 Y N -2.313 117.867 120.300 -0.201 0.000 2.403 197 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 197 Y C 1.572 177.344 175.900 -0.213 0.000 1.143 197 Y CA 0.501 58.495 58.100 -0.177 0.000 1.257 197 Y CB -0.312 38.051 38.460 -0.162 0.000 0.984 197 Y HN 0.058 nan 8.280 nan 0.000 0.550 198 I N 0.705 120.832 120.570 -0.740 0.000 2.296 198 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 198 I C 2.403 178.220 176.117 -0.499 0.000 1.087 198 I CA 0.883 61.790 61.300 -0.654 0.000 1.393 198 I CB -0.932 36.581 38.000 -0.811 0.000 1.093 198 I HN 0.367 nan 8.210 nan 0.000 0.421 199 L N 0.342 121.221 121.223 -0.573 0.000 2.079 199 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 199 L C 2.142 178.871 176.870 -0.234 0.000 1.081 199 L CA 1.429 55.911 54.840 -0.597 0.000 0.752 199 L CB -0.774 40.879 42.059 -0.676 0.000 0.896 199 L HN 0.247 nan 8.230 nan 0.000 0.433 200 D N -0.362 119.953 120.400 -0.142 0.000 2.117 200 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 200 D C 2.174 178.469 176.300 -0.009 0.000 0.982 200 D CA 0.966 54.952 54.000 -0.023 0.000 0.828 200 D CB -0.132 40.662 40.800 -0.009 0.000 0.967 200 D HN 0.174 nan 8.370 nan 0.000 0.464 201 M N 0.566 120.137 119.600 -0.049 0.000 2.108 201 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 201 M C 2.007 178.305 176.300 -0.004 0.000 1.066 201 M CA 1.142 56.426 55.300 -0.026 0.000 1.107 201 M CB -0.429 32.140 32.600 -0.052 0.000 1.356 201 M HN 0.012 nan 8.290 nan 0.000 0.406 202 L N -0.030 121.173 121.223 -0.034 0.000 2.017 202 L HA -0.259 4.081 4.340 -0.000 0.000 0.208 202 L C 2.205 179.186 176.870 0.186 0.000 1.073 202 L CA 1.391 56.269 54.840 0.063 0.000 0.745 202 L CB -1.035 41.030 42.059 0.011 0.000 0.894 202 L HN 0.263 nan 8.230 nan 0.000 0.432 203 D N -0.103 120.436 120.400 0.232 0.000 2.104 203 D HA -0.243 4.396 4.640 -0.000 0.000 0.194 203 D C 2.016 178.393 176.300 0.128 0.000 0.994 203 D CA 1.255 55.392 54.000 0.229 0.000 0.830 203 D CB -0.164 40.768 40.800 0.220 0.000 0.959 203 D HN 0.360 nan 8.370 nan 0.000 0.452 204 E N 0.686 120.940 120.200 0.090 0.000 2.160 204 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 204 E C 1.295 177.931 176.600 0.060 0.000 0.991 204 E CA 0.849 57.286 56.400 0.061 0.000 0.810 204 E CB 0.095 29.821 29.700 0.043 0.000 0.742 204 E HN 0.118 nan 8.360 nan 0.000 0.466 205 K N -0.902 119.540 120.400 0.071 0.000 2.476 205 K HA 0.052 4.371 4.320 -0.000 0.000 0.196 205 K C 0.613 177.263 176.600 0.083 0.000 1.025 205 K CA 0.427 56.755 56.287 0.069 0.000 1.138 205 K CB 0.325 32.867 32.500 0.070 0.000 0.860 205 K HN 0.284 nan 8.250 nan 0.000 0.515 206 G N 1.740 110.595 108.800 0.092 0.000 2.203 206 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.263 206 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.263 206 G C 0.064 175.028 174.900 0.107 0.000 1.012 206 G CA 0.141 45.291 45.100 0.084 0.000 0.749 206 G HN 0.280 nan 8.290 nan 0.000 0.512 207 I N 0.783 121.453 120.570 0.166 0.000 2.440 207 I HA 0.557 4.727 4.170 -0.000 0.000 0.294 207 I C 0.943 177.208 176.117 0.247 0.000 0.995 207 I CA -0.458 60.969 61.300 0.212 0.000 1.306 207 I CB 1.672 39.848 38.000 0.292 0.000 1.407 207 I HN 0.248 nan 8.210 nan 0.000 0.501 208 A N 7.888 130.799 122.820 0.152 0.000 2.362 208 A HA 0.526 4.846 4.320 -0.000 0.000 0.276 208 A C -0.759 176.888 177.584 0.105 0.000 1.153 208 A CA -0.345 51.713 52.037 0.034 0.000 0.813 208 A CB 0.223 19.184 19.000 -0.065 0.000 1.081 208 A HN 0.811 nan 8.150 nan 0.000 0.507 209 W N 1.131 122.423 121.300 -0.013 0.000 3.062 209 W HA 0.744 5.404 4.660 -0.000 0.000 0.336 209 W C -0.797 175.668 176.519 -0.090 0.000 1.224 209 W CA -0.494 56.791 57.345 -0.101 0.000 1.159 209 W CB 0.934 30.421 29.460 0.045 0.000 1.454 209 W HN 1.065 nan 8.180 nan 0.000 0.569 210 S N 0.750 116.490 115.700 0.066 0.000 2.570 210 S HA 0.672 5.142 4.470 -0.000 0.000 0.270 210 S C -1.744 172.985 174.600 0.215 0.000 1.149 210 S CA -0.882 57.336 58.200 0.031 0.000 0.837 210 S CB 2.081 65.269 63.200 -0.020 0.000 1.124 210 S HN 0.339 nan 8.310 nan 0.000 0.465 211 L N 2.670 123.959 121.223 0.109 0.000 2.325 211 L HA 0.630 4.970 4.340 -0.000 0.000 0.279 211 L C 0.093 176.807 176.870 -0.261 0.000 1.054 211 L CA 0.285 55.205 54.840 0.133 0.000 0.804 211 L CB 0.517 42.694 42.059 0.196 0.000 1.200 211 L HN 0.790 nan 8.230 nan 0.000 0.436 212 H N 0.723 119.910 119.070 0.194 0.000 2.980 212 H HA 0.401 4.956 4.556 -0.000 0.000 0.367 212 H C -0.135 175.271 175.328 0.130 0.000 1.206 212 H CA -0.474 55.641 56.048 0.112 0.000 1.126 212 H CB 2.092 31.879 29.762 0.043 0.000 1.838 212 H HN 0.505 nan 8.280 nan 0.000 0.552 213 S N 0.105 115.919 115.700 0.191 0.000 2.497 213 S HA 0.065 4.535 4.470 -0.000 0.000 0.218 213 S C 0.719 175.320 174.600 0.002 0.000 1.023 213 S CA -0.039 58.248 58.200 0.145 0.000 0.913 213 S CB 0.716 63.980 63.200 0.106 0.000 0.800 213 S HN 0.403 nan 8.310 nan 0.000 0.505 214 S N 0.026 115.721 115.700 -0.009 0.000 2.538 214 S HA 0.548 5.018 4.470 -0.000 0.000 0.288 214 S C 0.733 175.275 174.600 -0.097 0.000 1.108 214 S CA -0.680 57.453 58.200 -0.112 0.000 0.971 214 S CB 0.750 63.897 63.200 -0.089 0.000 1.041 214 S HN 0.216 nan 8.310 nan 0.000 0.483 215 I N 2.908 123.399 120.570 -0.131 0.000 2.454 215 I HA -0.106 4.064 4.170 -0.000 0.000 0.254 215 I C 2.431 178.461 176.117 -0.145 0.000 1.156 215 I CA 1.029 62.257 61.300 -0.121 0.000 1.433 215 I CB -0.140 37.803 38.000 -0.095 0.000 1.082 215 I HN 0.764 nan 8.210 nan 0.000 0.432 216 E N 1.572 121.697 120.200 -0.125 0.000 2.160 216 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 216 E C 1.888 178.403 176.600 -0.143 0.000 0.991 216 E CA 1.216 57.548 56.400 -0.114 0.000 0.810 216 E CB 0.055 29.704 29.700 -0.085 0.000 0.742 216 E HN 0.534 nan 8.360 nan 0.000 0.466 217 E N -0.524 119.577 120.200 -0.165 0.000 2.265 217 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 217 E C 1.593 177.970 176.600 -0.372 0.000 0.996 217 E CA 0.843 57.115 56.400 -0.212 0.000 0.832 217 E CB 0.430 30.029 29.700 -0.169 0.000 0.756 217 E HN 0.138 nan 8.360 nan 0.000 0.491 218 V N -0.060 119.597 119.914 -0.428 0.000 3.548 218 V HA -0.021 4.099 4.120 -0.000 0.000 0.279 218 V C 1.362 177.225 176.094 -0.384 0.000 1.446 218 V CA 0.098 62.045 62.300 -0.587 0.000 1.023 218 V CB 0.466 31.734 31.823 -0.924 0.000 0.820 218 V HN 0.164 nan 8.190 nan 0.000 0.438 219 M N 1.803 121.257 119.600 -0.244 0.000 2.113 219 M HA -0.227 4.253 4.480 -0.000 0.000 0.255 219 M C 2.092 178.309 176.300 -0.140 0.000 1.073 219 M CA 2.763 57.965 55.300 -0.164 0.000 1.091 219 M CB -0.896 31.630 32.600 -0.125 0.000 1.309 219 M HN 0.339 nan 8.290 nan 0.000 0.407 220 A N -0.797 121.945 122.820 -0.131 0.000 1.986 220 A HA -0.178 4.141 4.320 -0.000 0.000 0.220 220 A C 1.893 179.444 177.584 -0.054 0.000 1.171 220 A CA 2.028 54.012 52.037 -0.088 0.000 0.640 220 A CB -0.736 18.215 19.000 -0.082 0.000 0.811 220 A HN 0.684 nan 8.150 nan 0.000 0.451 221 E N -0.959 119.200 120.200 -0.069 0.000 2.481 221 E HA 0.199 4.549 4.350 -0.000 0.000 0.198 221 E C -0.482 176.221 176.600 0.173 0.000 1.027 221 E CA -0.056 56.382 56.400 0.063 0.000 0.900 221 E CB 0.428 30.123 29.700 -0.008 0.000 0.993 221 E HN 0.275 nan 8.360 nan 0.000 0.482 222 V N 2.109 122.050 119.914 0.045 0.000 2.439 222 V HA 0.053 4.173 4.120 -0.000 0.000 0.282 222 V C 0.588 176.716 176.094 0.056 0.000 1.039 222 V CA -0.099 62.249 62.300 0.080 0.000 0.913 222 V CB 1.706 33.521 31.823 -0.013 0.000 0.983 222 V HN -0.008 nan 8.190 nan 0.000 0.460 223 D N 3.827 124.275 120.400 0.079 0.000 2.338 223 D HA 0.202 4.842 4.640 -0.000 0.000 0.224 223 D C 0.139 176.450 176.300 0.018 0.000 0.967 223 D CA 0.937 54.948 54.000 0.019 0.000 0.896 223 D CB 0.630 41.427 40.800 -0.005 0.000 1.028 223 D HN 0.235 nan 8.370 nan 0.000 0.493 224 I N 1.655 122.259 120.570 0.057 0.000 2.466 224 I HA 0.226 4.396 4.170 -0.000 0.000 0.289 224 I C -0.870 175.328 176.117 0.134 0.000 1.026 224 I CA -0.868 60.485 61.300 0.088 0.000 1.078 224 I CB 2.359 40.421 38.000 0.102 0.000 1.249 224 I HN -0.147 nan 8.210 nan 0.000 0.429 225 L N 8.497 129.805 121.223 0.142 0.000 2.318 225 L HA 0.430 4.770 4.340 -0.000 0.000 0.277 225 L C -1.571 175.422 176.870 0.204 0.000 1.008 225 L CA -0.400 54.533 54.840 0.155 0.000 0.846 225 L CB 0.949 43.060 42.059 0.087 0.000 1.220 225 L HN 0.425 nan 8.230 nan 0.000 0.423 226 Y N 5.979 126.345 120.300 0.110 0.000 2.385 226 Y HA 0.573 5.123 4.550 -0.000 0.000 0.341 226 Y C -0.295 175.642 175.900 0.062 0.000 0.965 226 Y CA -0.635 57.520 58.100 0.092 0.000 1.180 226 Y CB 0.862 39.384 38.460 0.104 0.000 1.139 226 Y HN 0.530 nan 8.280 nan 0.000 0.502 227 M N 4.613 124.132 119.600 -0.134 0.000 2.342 227 M HA 0.405 4.885 4.480 -0.000 0.000 0.332 227 M C -0.360 175.723 176.300 -0.362 0.000 1.166 227 M CA -0.141 55.099 55.300 -0.100 0.000 1.086 227 M CB 1.633 34.237 32.600 0.006 0.000 1.541 227 M HN 0.573 nan 8.290 nan 0.000 0.462 228 T N 1.023 115.453 114.554 -0.207 0.000 2.906 228 T HA 0.539 4.888 4.350 -0.000 0.000 0.295 228 T C -0.491 174.162 174.700 -0.078 0.000 1.075 228 T CA -1.012 60.910 62.100 -0.297 0.000 1.005 228 T CB 2.057 70.869 68.868 -0.093 0.000 1.136 228 T HN 0.690 nan 8.240 nan 0.000 0.498 229 R N 0.405 120.903 120.500 -0.004 0.000 2.357 229 R HA 0.675 5.015 4.340 -0.000 0.000 0.296 229 R C -0.869 175.499 176.300 0.113 0.000 1.052 229 R CA -0.674 55.514 56.100 0.146 0.000 0.988 229 R CB 0.284 30.704 30.300 0.200 0.000 1.025 229 R HN 0.284 nan 8.270 nan 0.000 0.469 230 V N 3.271 123.273 119.914 0.148 0.000 2.509 230 V HA 0.127 4.247 4.120 -0.000 0.000 0.284 230 V C -0.174 176.060 176.094 0.233 0.000 1.047 230 V CA -0.738 61.660 62.300 0.164 0.000 0.952 230 V CB 1.413 33.313 31.823 0.128 0.000 0.988 230 V HN 0.755 nan 8.190 nan 0.000 0.469 231 Q N 2.956 122.863 119.800 0.177 0.000 2.303 231 Q HA 0.310 4.650 4.340 -0.000 0.000 0.257 231 Q C 0.713 176.789 176.000 0.126 0.000 0.941 231 Q CA -0.592 55.280 55.803 0.116 0.000 0.931 231 Q CB 0.783 29.552 28.738 0.051 0.000 1.215 231 Q HN 0.756 nan 8.270 nan 0.000 0.437 232 K N 0.709 121.100 120.400 -0.014 0.000 2.585 232 K HA -0.137 4.183 4.320 -0.000 0.000 0.194 232 K C 0.082 176.656 176.600 -0.044 0.000 1.037 232 K CA 1.277 57.474 56.287 -0.150 0.000 0.964 232 K CB 0.182 32.230 32.500 -0.753 0.000 0.787 232 K HN 0.458 nan 8.250 nan 0.000 0.488 233 E N 0.364 120.552 120.200 -0.020 0.000 2.400 233 E HA 0.089 4.439 4.350 -0.000 0.000 0.195 233 E C 1.371 177.966 176.600 -0.007 0.000 1.012 233 E CA 0.072 56.459 56.400 -0.022 0.000 0.875 233 E CB 0.234 29.910 29.700 -0.040 0.000 0.859 233 E HN 0.205 nan 8.360 nan 0.000 0.498 234 R N 0.136 120.648 120.500 0.021 0.000 2.236 234 R HA 0.141 4.481 4.340 -0.000 0.000 0.208 234 R C 0.576 176.933 176.300 0.095 0.000 1.036 234 R CA 0.558 56.679 56.100 0.035 0.000 1.001 234 R CB -0.013 30.333 30.300 0.076 0.000 0.896 234 R HN 0.201 nan 8.270 nan 0.000 0.464 235 L N -0.355 120.934 121.223 0.110 0.000 2.183 235 L HA 0.331 4.671 4.340 -0.000 0.000 0.253 235 L C 0.026 176.949 176.870 0.089 0.000 1.048 235 L CA -1.093 53.818 54.840 0.117 0.000 0.890 235 L CB 1.459 43.628 42.059 0.182 0.000 1.476 235 L HN -0.050 nan 8.230 nan 0.000 0.455 236 D N -0.554 119.897 120.400 0.085 0.000 2.326 236 D HA 0.261 4.901 4.640 -0.000 0.000 0.251 236 D C -2.237 174.108 176.300 0.074 0.000 1.023 236 D CA -1.691 52.343 54.000 0.057 0.000 0.966 236 D CB 2.578 43.405 40.800 0.045 0.000 1.156 236 D HN 0.100 nan 8.370 nan 0.000 0.494 237 P HA -0.159 nan 4.420 nan 0.000 0.217 237 P C 1.250 178.606 177.300 0.092 0.000 1.162 237 P CA 1.764 64.885 63.100 0.035 0.000 0.901 237 P CB 0.098 31.801 31.700 0.004 0.000 0.793 238 S N -1.191 114.553 115.700 0.075 0.000 2.481 238 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 238 S C 1.840 176.496 174.600 0.093 0.000 0.996 238 S CA 0.729 58.976 58.200 0.078 0.000 0.942 238 S CB -0.537 62.694 63.200 0.052 0.000 0.768 238 S HN 0.334 nan 8.310 nan 0.000 0.520 239 E N 0.160 120.425 120.200 0.108 0.000 2.060 239 E HA -0.092 4.258 4.350 -0.000 0.000 0.189 239 E C 1.747 178.416 176.600 0.115 0.000 0.974 239 E CA 0.437 56.894 56.400 0.095 0.000 0.808 239 E CB -0.155 29.596 29.700 0.085 0.000 0.768 239 E HN 0.561 nan 8.360 nan 0.000 0.453 240 Y N 1.142 121.458 120.300 0.027 0.000 2.030 240 Y HA -0.288 4.261 4.550 -0.000 0.000 0.274 240 Y C 2.154 178.082 175.900 0.046 0.000 1.153 240 Y CA 2.269 60.389 58.100 0.033 0.000 1.115 240 Y CB -0.599 37.878 38.460 0.029 0.000 0.969 240 Y HN 0.112 nan 8.280 nan 0.000 0.488 241 A N 0.540 123.554 122.820 0.323 0.000 2.024 241 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 241 A C 1.586 179.233 177.584 0.107 0.000 1.164 241 A CA 1.224 53.388 52.037 0.212 0.000 0.643 241 A CB -0.928 18.171 19.000 0.166 0.000 0.806 241 A HN 0.559 nan 8.150 nan 0.000 0.451 242 N N -0.531 118.220 118.700 0.085 0.000 2.285 242 N HA 0.008 4.748 4.740 -0.000 0.000 0.262 242 N C 1.352 176.894 175.510 0.054 0.000 1.299 242 N CA 0.569 53.656 53.050 0.061 0.000 0.930 242 N CB 0.751 39.270 38.487 0.054 0.000 1.157 242 N HN 0.022 nan 8.380 nan 0.000 0.532 243 V N 1.294 121.240 119.914 0.053 0.000 2.708 243 V HA -0.271 3.849 4.120 -0.000 0.000 0.264 243 V C 2.103 178.256 176.094 0.099 0.000 1.124 243 V CA 1.909 64.246 62.300 0.061 0.000 1.138 243 V CB -0.364 31.490 31.823 0.053 0.000 0.706 243 V HN 0.548 nan 8.190 nan 0.000 0.493 244 K N 0.398 120.846 120.400 0.080 0.000 2.002 244 K HA -0.033 4.287 4.320 -0.000 0.000 0.209 244 K C 1.851 178.515 176.600 0.106 0.000 1.048 244 K CA 1.378 57.715 56.287 0.085 0.000 0.930 244 K CB -0.485 31.998 32.500 -0.029 0.000 0.714 244 K HN 0.540 nan 8.250 nan 0.000 0.438 245 A N 1.726 124.529 122.820 -0.029 0.000 2.142 245 A HA -0.108 4.212 4.320 -0.000 0.000 0.208 245 A C 0.200 177.823 177.584 0.066 0.000 1.344 245 A CA 0.692 52.673 52.037 -0.093 0.000 1.045 245 A CB -0.402 18.498 19.000 -0.167 0.000 0.784 245 A HN 0.231 nan 8.150 nan 0.000 0.509 246 Q N -0.644 119.249 119.800 0.156 0.000 2.842 246 Q HA 0.443 4.783 4.340 -0.000 0.000 0.323 246 Q C -1.186 174.643 176.000 -0.285 0.000 1.111 246 Q CA 0.191 55.987 55.803 -0.011 0.000 1.047 246 Q CB -0.002 28.689 28.738 -0.078 0.000 1.280 246 Q HN 0.461 nan 8.270 nan 0.000 0.475 247 F N 0.351 120.276 119.950 -0.041 0.000 2.597 247 F HA 0.373 4.899 4.527 -0.000 0.000 0.336 247 F C -0.478 175.317 175.800 -0.009 0.000 1.432 247 F CA -0.874 57.116 58.000 -0.017 0.000 1.120 247 F CB 1.169 40.154 39.000 -0.026 0.000 1.253 247 F HN 0.068 nan 8.300 nan 0.000 0.546 248 V N 1.998 121.919 119.914 0.012 0.000 2.686 248 V HA 0.663 4.782 4.120 -0.000 0.000 0.306 248 V C -1.734 174.360 176.094 -0.001 0.000 1.065 248 V CA -0.891 61.427 62.300 0.029 0.000 0.894 248 V CB 2.063 33.907 31.823 0.035 0.000 1.004 248 V HN 0.214 nan 8.190 nan 0.000 0.424 249 L N 7.273 128.506 121.223 0.015 0.000 2.307 249 L HA 0.737 5.077 4.340 -0.000 0.000 0.282 249 L C 0.222 177.107 176.870 0.025 0.000 1.051 249 L CA 0.262 55.111 54.840 0.015 0.000 0.804 249 L CB 1.135 43.212 42.059 0.030 0.000 1.197 249 L HN 0.833 nan 8.230 nan 0.000 0.431 250 R N 3.005 123.521 120.500 0.026 0.000 2.912 250 R HA 0.640 4.980 4.340 -0.000 0.000 0.262 250 R C 0.515 176.850 176.300 0.059 0.000 1.057 250 R CA -0.356 55.766 56.100 0.037 0.000 0.981 250 R CB 1.209 31.519 30.300 0.017 0.000 1.201 250 R HN 0.699 nan 8.270 nan 0.000 0.484 251 A N 0.603 123.469 122.820 0.075 0.000 1.930 251 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 251 A C 1.839 179.514 177.584 0.151 0.000 1.175 251 A CA 1.915 54.024 52.037 0.119 0.000 0.627 251 A CB -0.637 18.437 19.000 0.123 0.000 0.815 251 A HN 0.752 nan 8.150 nan 0.000 0.443 252 S N 0.472 116.196 115.700 0.041 0.000 2.465 252 S HA -0.149 4.321 4.470 -0.000 0.000 0.241 252 S C 0.974 175.588 174.600 0.024 0.000 1.000 252 S CA 1.319 59.458 58.200 -0.101 0.000 0.964 252 S CB -0.360 62.744 63.200 -0.160 0.000 0.763 252 S HN 0.570 nan 8.310 nan 0.000 0.512 253 D N 1.601 122.044 120.400 0.071 0.000 2.289 253 D HA 0.141 4.781 4.640 -0.000 0.000 0.207 253 D C 1.271 177.619 176.300 0.080 0.000 0.966 253 D CA 0.449 54.478 54.000 0.049 0.000 0.868 253 D CB -0.196 40.604 40.800 -0.000 0.000 0.943 253 D HN 0.412 nan 8.370 nan 0.000 0.514 254 L N 0.478 121.775 121.223 0.124 0.000 2.660 254 L HA 0.052 4.392 4.340 -0.000 0.000 0.238 254 L C 1.509 178.336 176.870 -0.072 0.000 1.161 254 L CA 0.023 54.854 54.840 -0.014 0.000 0.937 254 L CB -0.337 41.698 42.059 -0.041 0.000 1.122 254 L HN -0.065 nan 8.230 nan 0.000 0.435 255 H N 1.009 120.060 119.070 -0.032 0.000 2.387 255 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 255 H C 1.462 176.781 175.328 -0.015 0.000 1.099 255 H CA 1.563 57.604 56.048 -0.012 0.000 1.315 255 H CB -0.066 29.688 29.762 -0.014 0.000 1.380 255 H HN 0.544 nan 8.280 nan 0.000 0.513 256 N N -0.241 118.425 118.700 -0.057 0.000 2.275 256 N HA 0.308 5.048 4.740 -0.000 0.000 0.236 256 N C -0.129 175.331 175.510 -0.083 0.000 1.154 256 N CA 0.006 53.021 53.050 -0.058 0.000 0.866 256 N CB 1.136 39.607 38.487 -0.027 0.000 1.093 256 N HN 0.080 nan 8.380 nan 0.000 0.515 257 A N 1.521 124.265 122.820 -0.127 0.000 2.340 257 A HA 0.251 4.571 4.320 -0.000 0.000 0.268 257 A C 0.327 177.866 177.584 -0.075 0.000 1.100 257 A CA -0.409 51.530 52.037 -0.163 0.000 0.803 257 A CB 0.582 19.347 19.000 -0.392 0.000 1.043 257 A HN 0.225 nan 8.150 nan 0.000 0.488 258 K N 0.906 121.275 120.400 -0.052 0.000 2.440 258 K HA 0.220 4.540 4.320 -0.000 0.000 0.270 258 K C 1.341 177.980 176.600 0.065 0.000 0.980 258 K CA 0.442 56.724 56.287 -0.008 0.000 0.953 258 K CB 0.400 32.888 32.500 -0.020 0.000 0.925 258 K HN 0.738 nan 8.250 nan 0.000 0.497 259 A N 2.268 125.109 122.820 0.034 0.000 2.019 259 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 259 A C 1.561 179.143 177.584 -0.002 0.000 1.164 259 A CA 2.025 54.078 52.037 0.026 0.000 0.644 259 A CB -0.738 18.245 19.000 -0.028 0.000 0.805 259 A HN 0.919 nan 8.150 nan 0.000 0.449 260 N N -1.595 117.095 118.700 -0.016 0.000 2.353 260 N HA 0.065 4.805 4.740 -0.000 0.000 0.185 260 N C 0.695 176.181 175.510 -0.040 0.000 1.098 260 N CA 0.031 53.044 53.050 -0.063 0.000 0.872 260 N CB -0.221 38.216 38.487 -0.083 0.000 0.970 260 N HN 0.316 nan 8.380 nan 0.000 0.467 261 M N 1.401 121.029 119.600 0.046 0.000 2.249 261 M HA 0.139 4.619 4.480 -0.000 0.000 0.340 261 M C -0.800 175.541 176.300 0.069 0.000 1.166 261 M CA 0.526 55.838 55.300 0.021 0.000 1.115 261 M CB 0.411 32.966 32.600 -0.076 0.000 1.606 261 M HN 0.050 nan 8.290 nan 0.000 0.448 262 K N 3.762 124.164 120.400 0.002 0.000 2.375 262 K HA 0.568 4.888 4.320 -0.000 0.000 0.249 262 K C -1.458 175.198 176.600 0.094 0.000 0.942 262 K CA -0.713 55.584 56.287 0.016 0.000 0.806 262 K CB 2.136 34.566 32.500 -0.118 0.000 1.227 262 K HN 0.531 nan 8.250 nan 0.000 0.430 263 V N 3.579 123.594 119.914 0.169 0.000 2.370 263 V HA 0.370 4.489 4.120 -0.000 0.000 0.279 263 V C -0.386 175.881 176.094 0.289 0.000 1.029 263 V CA -0.838 61.589 62.300 0.212 0.000 0.870 263 V CB 1.057 33.039 31.823 0.264 0.000 0.984 263 V HN 0.477 nan 8.190 nan 0.000 0.451 264 L N 4.551 125.889 121.223 0.192 0.000 2.354 264 L HA 0.725 5.064 4.340 -0.000 0.000 0.269 264 L C -0.451 176.348 176.870 -0.118 0.000 1.005 264 L CA -0.248 54.668 54.840 0.126 0.000 0.819 264 L CB 1.794 43.948 42.059 0.159 0.000 1.311 264 L HN 0.702 nan 8.230 nan 0.000 0.423 265 H N 3.652 122.573 119.070 -0.248 0.000 3.137 265 H HA 0.255 4.811 4.556 -0.000 0.000 0.336 265 H C -2.471 172.729 175.328 -0.214 0.000 1.055 265 H CA -1.144 54.689 56.048 -0.359 0.000 1.349 265 H CB 2.860 32.419 29.762 -0.337 0.000 1.939 265 H HN 0.343 nan 8.280 nan 0.000 0.487 266 P HA -0.083 nan 4.420 nan 0.000 0.219 266 P C -0.007 177.413 177.300 0.200 0.000 1.146 266 P CA 0.671 63.820 63.100 0.083 0.000 0.808 266 P CB 1.068 32.803 31.700 0.058 0.000 0.779 267 L N -3.792 117.672 121.223 0.401 0.000 0.584 267 L HA -0.109 4.231 4.340 -0.000 0.000 0.356 267 L C -2.337 174.630 176.870 0.163 0.000 0.953 267 L CA -1.007 53.949 54.840 0.194 0.000 1.223 267 L CB -2.162 39.963 42.059 0.110 0.000 0.011 267 L HN -0.015 nan 8.230 nan 0.000 0.091 268 P HA 0.222 nan 4.420 nan 0.000 0.271 268 P C -1.102 176.173 177.300 -0.041 0.000 1.216 268 P CA -0.330 62.789 63.100 0.031 0.000 0.776 268 P CB 0.619 32.343 31.700 0.041 0.000 0.881 269 R N 2.810 123.156 120.500 -0.256 0.000 2.368 269 R HA 0.318 4.658 4.340 -0.000 0.000 0.302 269 R C -0.682 175.540 176.300 -0.130 0.000 1.002 269 R CA -0.385 55.475 56.100 -0.399 0.000 0.929 269 R CB 0.782 30.643 30.300 -0.732 0.000 1.073 269 R HN 0.255 nan 8.270 nan 0.000 0.464 270 V N 2.262 122.153 119.914 -0.039 0.000 2.735 270 V HA -0.018 4.102 4.120 -0.000 0.000 0.234 270 V C 0.702 176.803 176.094 0.011 0.000 1.121 270 V CA 1.438 63.739 62.300 0.001 0.000 1.160 270 V CB -0.118 31.725 31.823 0.033 0.000 0.908 270 V HN 0.933 nan 8.190 nan 0.000 0.495 271 D N -0.928 119.500 120.400 0.047 0.000 2.525 271 D HA -0.038 4.601 4.640 -0.000 0.000 0.231 271 D C 1.464 177.794 176.300 0.051 0.000 1.216 271 D CA 0.327 54.356 54.000 0.049 0.000 0.813 271 D CB -0.505 40.341 40.800 0.078 0.000 1.108 271 D HN 0.445 nan 8.370 nan 0.000 0.524 272 E N 1.309 121.547 120.200 0.063 0.000 2.331 272 E HA -0.111 4.239 4.350 -0.000 0.000 0.199 272 E C 0.467 177.081 176.600 0.023 0.000 1.008 272 E CA 0.577 57.018 56.400 0.069 0.000 0.843 272 E CB 0.225 29.996 29.700 0.118 0.000 0.761 272 E HN 0.425 nan 8.360 nan 0.000 0.507 273 I N 1.252 121.797 120.570 -0.041 0.000 2.439 273 I HA 0.348 4.517 4.170 -0.000 0.000 0.285 273 I C -0.262 175.837 176.117 -0.030 0.000 1.021 273 I CA -1.021 60.243 61.300 -0.060 0.000 1.091 273 I CB 1.844 39.719 38.000 -0.209 0.000 1.242 273 I HN -0.062 nan 8.210 nan 0.000 0.439 274 A N 3.983 126.814 122.820 0.017 0.000 2.407 274 A HA 0.230 4.550 4.320 -0.000 0.000 0.248 274 A C 1.276 178.900 177.584 0.066 0.000 1.082 274 A CA -0.001 52.058 52.037 0.037 0.000 0.785 274 A CB 0.301 19.326 19.000 0.042 0.000 1.020 274 A HN 0.798 nan 8.150 nan 0.000 0.489 275 T N 0.737 115.333 114.554 0.071 0.000 2.869 275 T HA -0.155 4.194 4.350 -0.000 0.000 0.270 275 T C 1.322 176.087 174.700 0.110 0.000 1.082 275 T CA 2.040 64.200 62.100 0.100 0.000 1.123 275 T CB -0.366 68.549 68.868 0.078 0.000 0.856 275 T HN 0.903 nan 8.240 nan 0.000 0.499 276 D N 0.410 120.865 120.400 0.092 0.000 2.347 276 D HA 0.004 4.644 4.640 -0.000 0.000 0.213 276 D C 1.814 178.181 176.300 0.111 0.000 0.985 276 D CA 0.218 54.272 54.000 0.089 0.000 0.879 276 D CB -0.534 40.307 40.800 0.068 0.000 0.919 276 D HN 0.281 nan 8.370 nan 0.000 0.526 277 V N 1.237 121.232 119.914 0.135 0.000 2.453 277 V HA -0.186 3.933 4.120 -0.000 0.000 0.247 277 V C 1.689 177.889 176.094 0.177 0.000 1.048 277 V CA 1.755 64.156 62.300 0.167 0.000 1.049 277 V CB -0.470 31.471 31.823 0.197 0.000 0.672 277 V HN 0.072 nan 8.190 nan 0.000 0.457 278 D N 0.521 121.038 120.400 0.195 0.000 2.172 278 D HA -0.200 4.440 4.640 -0.000 0.000 0.196 278 D C 1.901 178.250 176.300 0.083 0.000 0.999 278 D CA 1.265 55.346 54.000 0.135 0.000 0.856 278 D CB -0.260 40.658 40.800 0.198 0.000 0.934 278 D HN 0.397 nan 8.370 nan 0.000 0.453 279 K N -0.052 120.400 120.400 0.088 0.000 2.522 279 K HA 0.077 4.397 4.320 -0.000 0.000 0.194 279 K C 0.382 177.016 176.600 0.057 0.000 1.026 279 K CA 0.149 56.474 56.287 0.064 0.000 1.119 279 K CB 0.319 32.855 32.500 0.060 0.000 0.856 279 K HN 0.017 nan 8.250 nan 0.000 0.513 280 T N 1.131 115.727 114.554 0.070 0.000 2.934 280 T HA 0.165 4.515 4.350 -0.000 0.000 0.283 280 T C -1.867 172.842 174.700 0.015 0.000 1.005 280 T CA -1.781 60.358 62.100 0.065 0.000 1.041 280 T CB 1.616 70.572 68.868 0.146 0.000 1.042 280 T HN -0.118 nan 8.240 nan 0.000 0.505 281 P HA -0.062 nan 4.420 nan 0.000 0.221 281 P C 0.620 177.859 177.300 -0.103 0.000 1.145 281 P CA 1.225 64.250 63.100 -0.125 0.000 0.795 281 P CB 0.045 31.580 31.700 -0.276 0.000 0.775 282 H N -0.957 118.134 119.070 0.035 0.000 2.529 282 H HA 0.242 4.798 4.556 -0.000 0.000 0.277 282 H C 0.876 176.258 175.328 0.090 0.000 0.999 282 H CA 0.125 56.185 56.048 0.020 0.000 1.256 282 H CB -0.265 29.506 29.762 0.015 0.000 1.402 282 H HN 0.048 nan 8.280 nan 0.000 0.566 283 A N 0.808 123.728 122.820 0.167 0.000 2.438 283 A HA -0.031 4.288 4.320 -0.000 0.000 0.280 283 A C -0.052 177.500 177.584 -0.053 0.000 1.160 283 A CA -0.109 51.895 52.037 -0.055 0.000 0.821 283 A CB -0.401 18.427 19.000 -0.287 0.000 1.101 283 A HN 0.740 nan 8.150 nan 0.000 0.515 284 W N 4.058 125.162 121.300 -0.326 0.000 2.300 284 W HA 0.151 4.811 4.660 -0.000 0.000 0.366 284 W C -0.153 176.247 176.519 -0.198 0.000 0.913 284 W CA -0.208 57.004 57.345 -0.223 0.000 2.200 284 W CB 0.397 29.820 29.460 -0.062 0.000 1.182 284 W HN 1.071 nan 8.180 nan 0.000 0.586 285 Y N -1.935 118.295 120.300 -0.117 0.000 2.314 285 Y HA -0.075 4.475 4.550 -0.000 0.000 0.293 285 Y C 1.774 177.495 175.900 -0.299 0.000 1.129 285 Y CA 0.668 58.627 58.100 -0.234 0.000 1.201 285 Y CB -1.519 36.712 38.460 -0.382 0.000 0.999 285 Y HN -0.211 nan 8.280 nan 0.000 0.541 286 F N 0.816 120.713 119.950 -0.088 0.000 2.206 286 F HA -0.069 4.457 4.527 -0.000 0.000 0.298 286 F C 2.125 177.822 175.800 -0.173 0.000 1.090 286 F CA 0.740 58.684 58.000 -0.093 0.000 1.323 286 F CB -0.959 37.954 39.000 -0.144 0.000 1.028 286 F HN 0.059 nan 8.300 nan 0.000 0.492 287 Q N -0.169 119.474 119.800 -0.262 0.000 2.230 287 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 287 Q C 2.187 178.102 176.000 -0.142 0.000 0.963 287 Q CA 1.081 56.639 55.803 -0.409 0.000 0.866 287 Q CB -0.390 27.605 28.738 -1.240 0.000 0.931 287 Q HN 0.494 nan 8.270 nan 0.000 0.452 288 Q N 0.096 119.874 119.800 -0.037 0.000 2.016 288 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 288 Q C 1.946 178.021 176.000 0.125 0.000 0.978 288 Q CA 1.403 57.288 55.803 0.137 0.000 0.833 288 Q CB -0.213 28.635 28.738 0.182 0.000 0.895 288 Q HN 0.418 nan 8.270 nan 0.000 0.427 289 A N 0.460 123.346 122.820 0.109 0.000 1.978 289 A HA -0.145 4.174 4.320 -0.000 0.000 0.220 289 A C 2.189 179.808 177.584 0.059 0.000 1.170 289 A CA 1.697 53.793 52.037 0.098 0.000 0.636 289 A CB -1.175 17.908 19.000 0.138 0.000 0.810 289 A HN 0.627 nan 8.150 nan 0.000 0.448 290 G N -0.193 108.644 108.800 0.061 0.000 2.408 290 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 290 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 290 G C 1.325 176.274 174.900 0.082 0.000 1.150 290 G CA 0.941 46.069 45.100 0.047 0.000 0.776 290 G HN 0.535 nan 8.290 nan 0.000 0.542 291 N N 1.200 120.030 118.700 0.217 0.000 2.364 291 N HA -0.070 4.670 4.740 -0.000 0.000 0.183 291 N C 2.293 177.902 175.510 0.165 0.000 1.022 291 N CA 1.047 54.339 53.050 0.403 0.000 0.883 291 N CB -0.623 38.178 38.487 0.523 0.000 0.965 291 N HN 0.302 nan 8.380 nan 0.000 0.438 292 G N 1.433 110.251 108.800 0.030 0.000 2.475 292 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 292 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 292 G C 1.414 176.170 174.900 -0.240 0.000 1.125 292 G CA 0.367 45.411 45.100 -0.094 0.000 0.755 292 G HN 0.199 nan 8.290 nan 0.000 0.565 293 I N 0.293 120.650 120.570 -0.355 0.000 2.226 293 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 293 I C 2.409 178.125 176.117 -0.669 0.000 1.100 293 I CA 0.997 61.968 61.300 -0.548 0.000 1.374 293 I CB -1.196 36.336 38.000 -0.781 0.000 1.057 293 I HN 0.137 nan 8.210 nan 0.000 0.413 294 F N 0.853 120.748 119.950 -0.092 0.000 2.387 294 F HA 0.176 4.703 4.527 -0.000 0.000 0.294 294 F C 2.573 178.199 175.800 -0.289 0.000 1.093 294 F CA 0.708 58.604 58.000 -0.173 0.000 1.420 294 F CB -1.194 37.685 39.000 -0.201 0.000 1.086 294 F HN -0.054 nan 8.300 nan 0.000 0.531 295 A N 0.925 123.608 122.820 -0.228 0.000 1.908 295 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 295 A C 2.349 179.832 177.584 -0.169 0.000 1.181 295 A CA 1.597 53.499 52.037 -0.225 0.000 0.627 295 A CB -0.566 18.347 19.000 -0.146 0.000 0.818 295 A HN 0.309 nan 8.150 nan 0.000 0.445 296 R N -0.838 119.527 120.500 -0.226 0.000 2.075 296 R HA -0.063 4.277 4.340 -0.000 0.000 0.226 296 R C 2.394 178.639 176.300 -0.092 0.000 1.114 296 R CA 1.240 57.197 56.100 -0.238 0.000 0.972 296 R CB -0.411 29.556 30.300 -0.555 0.000 0.869 296 R HN 0.667 nan 8.270 nan 0.000 0.437 297 Q N 0.565 120.308 119.800 -0.096 0.000 2.135 297 Q HA -0.135 4.204 4.340 -0.000 0.000 0.204 297 Q C 2.173 178.176 176.000 0.006 0.000 0.981 297 Q CA 1.701 57.491 55.803 -0.023 0.000 0.856 297 Q CB -0.169 28.561 28.738 -0.014 0.000 0.902 297 Q HN 0.357 nan 8.270 nan 0.000 0.425 298 A N 0.487 123.298 122.820 -0.015 0.000 1.930 298 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 298 A C 1.988 179.585 177.584 0.020 0.000 1.175 298 A CA 0.888 52.924 52.037 -0.001 0.000 0.627 298 A CB -0.427 18.550 19.000 -0.038 0.000 0.815 298 A HN 0.277 nan 8.150 nan 0.000 0.443 299 L N -0.266 120.970 121.223 0.022 0.000 2.027 299 L HA -0.079 4.260 4.340 -0.000 0.000 0.206 299 L C 2.402 179.316 176.870 0.073 0.000 1.074 299 L CA 1.516 56.389 54.840 0.055 0.000 0.745 299 L CB -0.515 41.588 42.059 0.074 0.000 0.898 299 L HN 0.403 nan 8.230 nan 0.000 0.433 300 L N -1.401 119.874 121.223 0.085 0.000 2.046 300 L HA -0.207 4.132 4.340 -0.000 0.000 0.208 300 L C 2.608 179.518 176.870 0.066 0.000 1.077 300 L CA 1.173 56.064 54.840 0.085 0.000 0.747 300 L CB -0.837 41.281 42.059 0.098 0.000 0.896 300 L HN 0.334 nan 8.230 nan 0.000 0.432 301 A N 0.466 123.321 122.820 0.059 0.000 1.851 301 A HA -0.203 4.116 4.320 -0.000 0.000 0.216 301 A C 2.200 179.830 177.584 0.077 0.000 1.195 301 A CA 1.626 53.699 52.037 0.061 0.000 0.622 301 A CB -0.912 18.117 19.000 0.050 0.000 0.831 301 A HN 0.358 nan 8.150 nan 0.000 0.444 302 L N -0.628 120.638 121.223 0.072 0.000 2.127 302 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 302 L C 2.428 179.370 176.870 0.119 0.000 1.089 302 L CA 0.954 55.848 54.840 0.091 0.000 0.757 302 L CB -0.542 41.560 42.059 0.071 0.000 0.899 302 L HN 0.257 nan 8.230 nan 0.000 0.434 303 V N -0.298 119.662 119.914 0.076 0.000 2.591 303 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 303 V C 2.044 178.141 176.094 0.005 0.000 1.053 303 V CA 1.300 63.609 62.300 0.016 0.000 1.068 303 V CB 0.074 31.894 31.823 -0.006 0.000 0.689 303 V HN 0.350 nan 8.190 nan 0.000 0.462 304 L N -0.744 120.529 121.223 0.084 0.000 2.554 304 L HA 0.210 4.550 4.340 -0.000 0.000 0.225 304 L C 0.593 177.621 176.870 0.263 0.000 1.104 304 L CA 0.272 55.181 54.840 0.115 0.000 0.866 304 L CB 0.004 42.108 42.059 0.075 0.000 1.047 304 L HN 0.268 nan 8.230 nan 0.000 0.468 305 N N -0.021 118.840 118.700 0.269 0.000 2.446 305 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 305 N C 1.147 176.707 175.510 0.084 0.000 0.975 305 N CA -0.391 52.766 53.050 0.178 0.000 0.928 305 N CB 0.918 39.462 38.487 0.094 0.000 1.160 305 N HN 0.041 nan 8.380 nan 0.000 0.495 306 R N 1.323 121.632 120.500 -0.317 0.000 2.189 306 R HA 0.083 4.423 4.340 -0.000 0.000 0.218 306 R C -0.690 175.439 176.300 -0.285 0.000 1.074 306 R CA 0.810 56.481 56.100 -0.716 0.000 0.991 306 R CB -0.036 29.603 30.300 -1.101 0.000 0.883 306 R HN 0.403 nan 8.270 nan 0.000 0.457 307 D N 0.783 121.093 120.400 -0.151 0.000 2.896 307 D HA 0.277 4.917 4.640 -0.000 0.000 0.241 307 D C -1.114 175.165 176.300 -0.035 0.000 1.188 307 D CA -0.585 53.366 54.000 -0.081 0.000 0.879 307 D CB 2.321 43.075 40.800 -0.076 0.000 1.553 307 D HN -0.112 nan 8.370 nan 0.000 0.515 308 L N 1.543 122.759 121.223 -0.012 0.000 2.325 308 L HA 0.395 4.735 4.340 -0.000 0.000 0.278 308 L C -0.115 176.756 176.870 0.002 0.000 1.023 308 L CA -0.897 53.945 54.840 0.003 0.000 0.811 308 L CB 1.913 43.983 42.059 0.017 0.000 1.249 308 L HN 0.180 nan 8.230 nan 0.000 0.431 309 V N 4.878 124.795 119.914 0.005 0.000 2.320 309 V HA 0.193 4.313 4.120 -0.000 0.000 0.265 309 V C 0.539 176.640 176.094 0.011 0.000 1.048 309 V CA -0.782 61.521 62.300 0.006 0.000 0.865 309 V CB 0.729 32.554 31.823 0.005 0.000 1.043 309 V HN 0.631 nan 8.190 nan 0.000 0.474 310 L N 0.000 121.230 121.223 0.012 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.849 54.840 0.015 0.000 0.813 310 L CB 0.000 42.069 42.059 0.016 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502