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 1tu0_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFA 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 0.000 177.569 177.584 -0.025 0.000 1.274 1 A CA 0.000 51.981 52.037 -0.093 0.000 0.836 1 A CB 0.000 18.910 19.000 -0.150 0.000 0.831 2 N N -0.057 118.644 118.700 0.002 0.000 2.483 2 N HA 0.530 5.270 4.740 -0.000 0.000 0.269 2 N C -1.886 173.667 175.510 0.072 0.000 1.209 2 N CA -0.985 52.090 53.050 0.041 0.000 0.969 2 N CB 0.971 39.489 38.487 0.052 0.000 1.173 2 N HN 0.172 nan 8.380 nan 0.000 0.475 3 P HA -0.128 nan 4.420 nan 0.000 0.219 3 P C 0.506 177.841 177.300 0.059 0.000 1.146 3 P CA 1.251 64.381 63.100 0.049 0.000 0.808 3 P CB 0.128 31.849 31.700 0.036 0.000 0.779 4 L N -3.202 118.063 121.223 0.071 0.000 2.700 4 L HA 0.179 4.519 4.340 -0.000 0.000 0.234 4 L C 0.770 177.679 176.870 0.065 0.000 1.156 4 L CA -0.724 54.148 54.840 0.054 0.000 0.946 4 L CB -0.624 41.465 42.059 0.049 0.000 1.216 4 L HN -0.055 nan 8.230 nan 0.000 0.493 5 Y N 1.745 122.035 120.300 -0.017 0.000 2.632 5 Y HA -0.029 4.520 4.550 -0.000 0.000 0.329 5 Y C 1.152 177.024 175.900 -0.047 0.000 1.174 5 Y CA 0.168 58.255 58.100 -0.023 0.000 1.469 5 Y CB 0.353 38.803 38.460 -0.016 0.000 1.242 5 Y HN 0.214 nan 8.280 nan 0.000 0.540 6 Q N 1.969 121.329 119.800 -0.733 0.000 2.494 6 Q HA -0.242 4.097 4.340 -0.000 0.000 0.266 6 Q C -1.182 174.557 176.000 -0.436 0.000 1.053 6 Q CA 1.092 56.475 55.803 -0.701 0.000 1.029 6 Q CB -0.763 27.425 28.738 -0.916 0.000 1.423 6 Q HN 0.665 nan 8.270 nan 0.000 0.516 7 K N 0.308 120.522 120.400 -0.309 0.000 2.118 7 K HA 0.366 4.685 4.320 -0.000 0.000 0.254 7 K C -0.419 175.998 176.600 -0.303 0.000 0.961 7 K CA -0.865 55.253 56.287 -0.281 0.000 0.876 7 K CB 0.964 33.398 32.500 -0.109 0.000 1.077 7 K HN 0.211 nan 8.250 nan 0.000 0.440 8 H N 1.950 121.001 119.070 -0.032 0.000 2.620 8 H HA 0.180 4.736 4.556 -0.000 0.000 0.313 8 H C -0.028 175.302 175.328 0.005 0.000 1.075 8 H CA -0.512 55.525 56.048 -0.019 0.000 1.397 8 H CB 0.665 30.413 29.762 -0.024 0.000 1.446 8 H HN 0.174 nan 8.280 nan 0.000 0.493 9 I N 5.486 126.133 120.570 0.129 0.000 2.294 9 I HA -0.050 4.120 4.170 -0.000 0.000 0.295 9 I C 1.130 177.312 176.117 0.108 0.000 1.098 9 I CA -0.071 61.294 61.300 0.109 0.000 1.277 9 I CB -0.293 37.776 38.000 0.116 0.000 1.434 9 I HN 0.545 nan 8.210 nan 0.000 0.498 10 I N 2.267 122.892 120.570 0.091 0.000 3.393 10 I HA 0.150 4.320 4.170 -0.000 0.000 0.250 10 I C 1.048 177.208 176.117 0.072 0.000 1.122 10 I CA 0.652 61.992 61.300 0.067 0.000 1.484 10 I CB -0.341 37.681 38.000 0.038 0.000 1.468 10 I HN 0.465 nan 8.210 nan 0.000 0.461 11 S N 0.142 115.881 115.700 0.065 0.000 2.568 11 S HA 0.425 4.895 4.470 -0.000 0.000 0.302 11 S C 0.519 175.164 174.600 0.074 0.000 1.082 11 S CA -0.463 57.778 58.200 0.069 0.000 1.009 11 S CB 1.745 64.975 63.200 0.050 0.000 1.069 11 S HN 0.097 nan 8.310 nan 0.000 0.500 12 I N 3.522 124.142 120.570 0.083 0.000 2.916 12 I HA -0.004 4.165 4.170 -0.000 0.000 0.267 12 I C 2.028 178.187 176.117 0.070 0.000 1.263 12 I CA 1.002 62.352 61.300 0.083 0.000 1.471 12 I CB -0.549 37.505 38.000 0.090 0.000 1.089 12 I HN 0.740 nan 8.210 nan 0.000 0.468 13 N N -0.175 118.560 118.700 0.058 0.000 2.424 13 N HA -0.101 4.639 4.740 -0.000 0.000 0.178 13 N C 0.879 176.410 175.510 0.035 0.000 1.060 13 N CA 0.485 53.561 53.050 0.044 0.000 0.901 13 N CB 0.220 38.727 38.487 0.034 0.000 0.979 13 N HN 0.295 nan 8.380 nan 0.000 0.451 14 D N 0.545 120.969 120.400 0.039 0.000 2.317 14 D HA 0.054 4.693 4.640 -0.000 0.000 0.211 14 D C 0.435 176.755 176.300 0.034 0.000 0.966 14 D CA 0.347 54.367 54.000 0.033 0.000 0.876 14 D CB 0.534 41.356 40.800 0.038 0.000 0.927 14 D HN 0.286 nan 8.370 nan 0.000 0.519 15 L N 1.160 122.409 121.223 0.043 0.000 2.312 15 L HA 0.191 4.531 4.340 -0.000 0.000 0.281 15 L C 1.013 177.901 176.870 0.030 0.000 1.070 15 L CA -0.557 54.309 54.840 0.043 0.000 0.805 15 L CB 1.526 43.622 42.059 0.062 0.000 1.174 15 L HN -0.109 nan 8.230 nan 0.000 0.434 16 S N 2.339 118.049 115.700 0.016 0.000 2.645 16 S HA 0.251 4.721 4.470 -0.000 0.000 0.266 16 S C 1.060 175.642 174.600 -0.029 0.000 1.258 16 S CA -0.670 57.523 58.200 -0.011 0.000 0.990 16 S CB 1.214 64.407 63.200 -0.012 0.000 0.967 16 S HN 0.756 nan 8.310 nan 0.000 0.556 17 R N 0.530 120.968 120.500 -0.103 0.000 2.115 17 R HA -0.025 4.315 4.340 -0.000 0.000 0.230 17 R C 0.801 177.061 176.300 -0.067 0.000 1.111 17 R CA 1.455 57.438 56.100 -0.194 0.000 0.976 17 R CB -0.800 29.231 30.300 -0.449 0.000 0.870 17 R HN 0.566 nan 8.270 nan 0.000 0.445 18 D N 1.532 121.907 120.400 -0.041 0.000 2.097 18 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 18 D C 1.373 177.691 176.300 0.030 0.000 0.984 18 D CA 1.264 55.264 54.000 0.000 0.000 0.826 18 D CB -0.431 40.367 40.800 -0.004 0.000 0.973 18 D HN 0.216 nan 8.370 nan 0.000 0.460 19 D N 0.541 120.958 120.400 0.027 0.000 2.158 19 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 19 D C 2.375 178.715 176.300 0.066 0.000 0.995 19 D CA 0.461 54.487 54.000 0.043 0.000 0.846 19 D CB -0.271 40.552 40.800 0.039 0.000 0.941 19 D HN 0.247 nan 8.370 nan 0.000 0.456 20 L N 0.371 121.647 121.223 0.088 0.000 2.005 20 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 20 L C 2.124 179.087 176.870 0.154 0.000 1.072 20 L CA 1.081 56.008 54.840 0.144 0.000 0.744 20 L CB -0.503 41.697 42.059 0.235 0.000 0.895 20 L HN 0.003 nan 8.230 nan 0.000 0.433 21 N N -0.014 118.783 118.700 0.161 0.000 2.069 21 N HA -0.255 4.485 4.740 -0.000 0.000 0.191 21 N C 1.766 177.332 175.510 0.093 0.000 1.031 21 N CA 1.226 54.365 53.050 0.148 0.000 0.852 21 N CB -0.200 38.367 38.487 0.133 0.000 1.018 21 N HN 0.139 nan 8.380 nan 0.000 0.423 22 L N 0.877 122.141 121.223 0.069 0.000 2.043 22 L HA -0.148 4.191 4.340 -0.000 0.000 0.212 22 L C 1.820 178.713 176.870 0.039 0.000 1.075 22 L CA 1.565 56.434 54.840 0.048 0.000 0.752 22 L CB -0.536 41.548 42.059 0.042 0.000 0.891 22 L HN 0.006 nan 8.230 nan 0.000 0.432 23 V N -0.511 119.430 119.914 0.045 0.000 2.453 23 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 23 V C 2.582 178.667 176.094 -0.014 0.000 1.048 23 V CA 1.661 63.973 62.300 0.021 0.000 1.049 23 V CB -0.421 31.423 31.823 0.035 0.000 0.672 23 V HN 0.447 nan 8.190 nan 0.000 0.457 24 L N -0.117 121.126 121.223 0.032 0.000 2.056 24 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 24 L C 2.779 179.650 176.870 0.001 0.000 1.078 24 L CA 1.630 56.491 54.840 0.034 0.000 0.749 24 L CB -0.877 41.274 42.059 0.154 0.000 0.901 24 L HN 0.390 nan 8.230 nan 0.000 0.433 25 A N 0.125 122.966 122.820 0.035 0.000 1.859 25 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 25 A C 2.331 179.904 177.584 -0.018 0.000 1.198 25 A CA 2.648 54.701 52.037 0.027 0.000 0.629 25 A CB -1.136 17.886 19.000 0.036 0.000 0.830 25 A HN 0.408 nan 8.150 nan 0.000 0.446 26 T N 0.613 115.152 114.554 -0.025 0.000 2.665 26 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 26 T C 2.171 176.819 174.700 -0.086 0.000 1.035 26 T CA 2.081 64.160 62.100 -0.036 0.000 1.151 26 T CB -0.692 68.166 68.868 -0.018 0.000 0.862 26 T HN 0.685 nan 8.240 nan 0.000 0.438 27 A N 1.628 124.340 122.820 -0.181 0.000 1.892 27 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 27 A C 2.698 180.067 177.584 -0.359 0.000 1.188 27 A CA 2.150 53.975 52.037 -0.353 0.000 0.631 27 A CB -1.246 17.296 19.000 -0.764 0.000 0.822 27 A HN 0.561 nan 8.150 nan 0.000 0.447 28 A N -0.694 121.977 122.820 -0.248 0.000 1.933 28 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 28 A C 2.122 179.668 177.584 -0.064 0.000 1.175 28 A CA 1.970 53.984 52.037 -0.038 0.000 0.628 28 A CB -0.371 18.689 19.000 0.101 0.000 0.814 28 A HN 0.569 nan 8.150 nan 0.000 0.444 29 K N -0.449 119.917 120.400 -0.055 0.000 2.007 29 K HA 0.082 4.402 4.320 -0.000 0.000 0.206 29 K C 1.739 178.318 176.600 -0.036 0.000 1.047 29 K CA 1.257 57.524 56.287 -0.033 0.000 0.937 29 K CB -0.316 32.175 32.500 -0.015 0.000 0.718 29 K HN 0.455 nan 8.250 nan 0.000 0.438 30 L N 1.028 122.236 121.223 -0.025 0.000 2.275 30 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 30 L C 2.416 179.294 176.870 0.013 0.000 1.119 30 L CA 0.972 55.831 54.840 0.031 0.000 0.790 30 L CB -0.298 41.815 42.059 0.090 0.000 0.919 30 L HN 0.154 nan 8.230 nan 0.000 0.443 31 K N 0.578 120.865 120.400 -0.188 0.000 2.103 31 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 31 K C 2.139 178.585 176.600 -0.256 0.000 1.052 31 K CA 1.079 57.012 56.287 -0.590 0.000 0.945 31 K CB 0.040 31.921 32.500 -1.032 0.000 0.722 31 K HN 0.242 nan 8.250 nan 0.000 0.443 32 A N 1.034 123.772 122.820 -0.137 0.000 1.835 32 A HA -0.069 4.251 4.320 -0.000 0.000 0.213 32 A C 0.971 178.538 177.584 -0.028 0.000 1.210 32 A CA 1.152 53.149 52.037 -0.066 0.000 0.605 32 A CB -0.257 18.718 19.000 -0.041 0.000 0.860 32 A HN 0.439 nan 8.150 nan 0.000 0.447 33 N N 0.550 119.242 118.700 -0.014 0.000 2.623 33 N HA 0.322 5.062 4.740 -0.000 0.000 0.256 33 N C -3.286 172.236 175.510 0.020 0.000 1.045 33 N CA -1.497 51.556 53.050 0.005 0.000 0.863 33 N CB 1.333 39.822 38.487 0.004 0.000 1.182 33 N HN -0.014 nan 8.380 nan 0.000 0.523 34 P HA 0.121 nan 4.420 nan 0.000 0.271 34 P C -0.779 176.546 177.300 0.041 0.000 1.220 34 P CA -0.053 63.081 63.100 0.055 0.000 0.768 34 P CB 0.730 32.471 31.700 0.068 0.000 0.848 35 Q N 4.250 124.075 119.800 0.042 0.000 2.842 35 Q HA 0.202 4.541 4.340 -0.000 0.000 0.323 35 Q C -1.643 174.375 176.000 0.030 0.000 1.111 35 Q CA -1.735 54.086 55.803 0.030 0.000 1.047 35 Q CB 0.422 29.175 28.738 0.026 0.000 1.280 35 Q HN 0.353 nan 8.270 nan 0.000 0.475 36 P HA -0.084 nan 4.420 nan 0.000 0.237 36 P C -0.184 177.127 177.300 0.018 0.000 1.178 36 P CA 0.765 63.885 63.100 0.032 0.000 0.766 36 P CB 0.547 32.267 31.700 0.034 0.000 0.876 37 E N -0.895 119.307 120.200 0.004 0.000 2.869 37 E HA 0.107 4.456 4.350 -0.000 0.000 0.207 37 E C 1.030 177.613 176.600 -0.028 0.000 0.986 37 E CA -0.272 56.116 56.400 -0.020 0.000 1.131 37 E CB 0.019 29.700 29.700 -0.031 0.000 1.098 37 E HN -0.020 nan 8.360 nan 0.000 0.459 38 L N -0.103 121.117 121.223 -0.005 0.000 2.131 38 L HA 0.076 4.415 4.340 -0.000 0.000 0.206 38 L C 0.935 177.805 176.870 0.001 0.000 1.087 38 L CA 1.705 56.545 54.840 0.001 0.000 0.767 38 L CB 0.290 42.360 42.059 0.018 0.000 0.917 38 L HN 0.187 nan 8.230 nan 0.000 0.441 39 L N 0.776 122.000 121.223 0.003 0.000 3.062 39 L HA 0.197 4.537 4.340 -0.000 0.000 0.255 39 L C 0.256 177.124 176.870 -0.002 0.000 1.274 39 L CA -0.380 54.467 54.840 0.013 0.000 1.047 39 L CB -0.205 41.870 42.059 0.026 0.000 1.402 39 L HN 0.197 nan 8.230 nan 0.000 0.550 40 K N -0.328 120.041 120.400 -0.052 0.000 2.382 40 K HA 0.091 4.411 4.320 -0.000 0.000 0.275 40 K C 0.308 176.852 176.600 -0.092 0.000 1.009 40 K CA 0.297 56.514 56.287 -0.117 0.000 0.970 40 K CB 0.439 32.801 32.500 -0.230 0.000 0.934 40 K HN 0.302 nan 8.250 nan 0.000 0.479 41 H N -1.263 117.822 119.070 0.026 0.000 4.291 41 H HA -0.138 4.417 4.556 -0.000 0.000 0.127 41 H C -0.435 174.908 175.328 0.026 0.000 0.703 41 H CA 1.045 57.109 56.048 0.026 0.000 1.250 41 H CB -0.630 29.149 29.762 0.027 0.000 0.705 41 H HN 0.532 nan 8.280 nan 0.000 0.553 42 K N 2.102 122.582 120.400 0.133 0.000 2.298 42 K HA 0.388 4.708 4.320 -0.000 0.000 0.280 42 K C -0.015 176.621 176.600 0.059 0.000 1.032 42 K CA -0.101 56.238 56.287 0.086 0.000 0.958 42 K CB 1.511 34.048 32.500 0.062 0.000 0.978 42 K HN 0.040 nan 8.250 nan 0.000 0.472 43 V N 4.687 124.635 119.914 0.056 0.000 2.448 43 V HA 0.432 4.552 4.120 -0.000 0.000 0.295 43 V C 0.101 176.217 176.094 0.036 0.000 1.025 43 V CA -0.934 61.391 62.300 0.042 0.000 0.859 43 V CB 1.452 33.309 31.823 0.056 0.000 0.988 43 V HN 0.477 nan 8.190 nan 0.000 0.431 44 I N 3.119 123.695 120.570 0.010 0.000 2.474 44 I HA 0.694 4.864 4.170 -0.000 0.000 0.294 44 I C 0.396 176.513 176.117 -0.000 0.000 1.005 44 I CA -0.705 60.597 61.300 0.003 0.000 1.113 44 I CB 1.872 39.865 38.000 -0.012 0.000 1.289 44 I HN 0.682 nan 8.210 nan 0.000 0.436 45 A N 3.740 126.558 122.820 -0.004 0.000 2.276 45 A HA 0.405 4.725 4.320 -0.000 0.000 0.300 45 A C 0.285 177.813 177.584 -0.093 0.000 1.235 45 A CA -0.278 51.746 52.037 -0.021 0.000 0.867 45 A CB 0.485 19.491 19.000 0.009 0.000 1.137 45 A HN 0.687 nan 8.150 nan 0.000 0.527 46 S N 2.468 118.109 115.700 -0.098 0.000 2.665 46 S HA 0.286 4.756 4.470 -0.000 0.000 0.230 46 S C -0.458 173.999 174.600 -0.238 0.000 1.326 46 S CA -0.498 57.656 58.200 -0.077 0.000 1.055 46 S CB -0.895 62.330 63.200 0.042 0.000 1.178 46 S HN 0.698 nan 8.310 nan 0.000 0.489 47 C N 5.416 124.429 119.300 -0.479 0.000 2.218 47 C HA 0.411 4.871 4.460 -0.000 0.000 0.353 47 C C -0.093 174.384 174.990 -0.854 0.000 1.070 47 C CA -0.743 57.657 59.018 -1.029 0.000 1.497 47 C CB -2.219 25.086 27.740 -0.724 0.000 1.951 47 C HN 0.758 nan 8.230 nan 0.000 0.493 48 F N 3.290 122.770 119.950 -0.784 0.000 2.329 48 F HA 0.331 4.858 4.527 -0.000 0.000 0.362 48 F C 0.914 176.615 175.800 -0.164 0.000 1.113 48 F CA -0.943 56.877 58.000 -0.300 0.000 1.212 48 F CB -0.086 38.815 39.000 -0.164 0.000 1.509 48 F HN 0.527 nan 8.300 nan 0.000 0.546 49 F N 1.193 121.187 119.950 0.073 0.000 2.269 49 F HA -0.020 4.507 4.527 -0.000 0.000 0.301 49 F C 1.619 177.449 175.800 0.050 0.000 1.082 49 F CA 0.319 58.408 58.000 0.148 0.000 1.360 49 F CB -0.551 38.482 39.000 0.055 0.000 1.041 49 F HN 0.290 nan 8.300 nan 0.000 0.512 50 A N 0.422 123.373 122.820 0.219 0.000 2.276 50 A HA 0.740 5.060 4.320 -0.000 0.000 0.316 50 A C 0.135 177.848 177.584 0.215 0.000 1.229 50 A CA -0.554 51.572 52.037 0.149 0.000 0.851 50 A CB 0.065 19.118 19.000 0.087 0.000 1.165 50 A HN 0.186 nan 8.150 nan 0.000 0.513 51 A N 2.325 125.234 122.820 0.149 0.000 2.540 51 A HA 0.508 4.827 4.320 -0.000 0.000 0.239 51 A C 0.722 178.384 177.584 0.130 0.000 1.061 51 A CA 0.735 52.845 52.037 0.122 0.000 0.758 51 A CB -0.264 18.776 19.000 0.066 0.000 0.991 51 A HN 2.223 nan 8.150 nan 0.000 0.502 52 S N 0.800 116.564 115.700 0.106 0.000 2.441 52 S HA 0.258 4.728 4.470 -0.000 0.000 0.187 52 S C 0.071 174.639 174.600 -0.054 0.000 0.917 52 S CA 0.059 58.306 58.200 0.078 0.000 1.078 52 S CB -0.041 63.264 63.200 0.176 0.000 1.379 52 S HN 1.013 nan 8.310 nan 0.000 0.399 53 T N 1.107 115.618 114.554 -0.072 0.000 3.215 53 T HA 0.101 4.451 4.350 -0.000 0.000 0.254 53 T C 1.446 176.114 174.700 -0.054 0.000 1.149 53 T CA 0.525 62.555 62.100 -0.116 0.000 1.042 53 T CB -0.126 68.696 68.868 -0.076 0.000 0.966 53 T HN 0.708 nan 8.240 nan 0.000 0.534 54 R N 1.265 121.769 120.500 0.007 0.000 2.064 54 R HA 0.018 4.357 4.340 -0.000 0.000 0.221 54 R C 2.189 178.532 176.300 0.073 0.000 1.136 54 R CA 1.070 57.197 56.100 0.046 0.000 0.980 54 R CB -0.703 29.649 30.300 0.087 0.000 0.876 54 R HN 0.143 nan 8.270 nan 0.000 0.437 55 T N 1.306 115.946 114.554 0.144 0.000 2.652 55 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 55 T C 1.719 176.560 174.700 0.235 0.000 1.039 55 T CA 1.796 64.063 62.100 0.278 0.000 1.153 55 T CB -0.287 68.864 68.868 0.473 0.000 0.863 55 T HN 0.312 nan 8.240 nan 0.000 0.428 56 R N 0.678 121.102 120.500 -0.127 0.000 2.113 56 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 56 R C 2.442 178.682 176.300 -0.100 0.000 1.129 56 R CA 1.649 57.440 56.100 -0.514 0.000 0.915 56 R CB -0.726 28.908 30.300 -1.111 0.000 0.837 56 R HN 0.316 nan 8.270 nan 0.000 0.430 57 L N 0.445 121.602 121.223 -0.110 0.000 2.064 57 L HA -0.306 4.034 4.340 -0.000 0.000 0.216 57 L C 2.733 179.621 176.870 0.029 0.000 1.077 57 L CA 1.843 56.666 54.840 -0.029 0.000 0.766 57 L CB -0.729 41.309 42.059 -0.036 0.000 0.890 57 L HN 0.436 nan 8.230 nan 0.000 0.435 58 S N -0.569 115.156 115.700 0.042 0.000 2.354 58 S HA -0.205 4.265 4.470 -0.000 0.000 0.219 58 S C 1.838 176.464 174.600 0.042 0.000 1.035 58 S CA 1.418 59.625 58.200 0.011 0.000 1.037 58 S CB -0.310 62.879 63.200 -0.020 0.000 0.956 58 S HN 0.257 nan 8.310 nan 0.000 0.428 59 F N 2.129 122.112 119.950 0.054 0.000 2.043 59 F HA -0.162 4.365 4.527 -0.000 0.000 0.297 59 F C 2.547 178.377 175.800 0.050 0.000 1.118 59 F CA 2.064 60.110 58.000 0.077 0.000 1.202 59 F CB -0.719 38.380 39.000 0.165 0.000 0.965 59 F HN 0.367 nan 8.300 nan 0.000 0.482 60 E N -1.206 119.160 120.200 0.277 0.000 2.077 60 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 60 E C 2.155 178.885 176.600 0.215 0.000 0.989 60 E CA 1.782 58.296 56.400 0.191 0.000 0.800 60 E CB -0.526 29.264 29.700 0.149 0.000 0.746 60 E HN 0.368 nan 8.360 nan 0.000 0.452 61 T N 0.947 115.593 114.554 0.154 0.000 2.652 61 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 61 T C 2.181 176.937 174.700 0.094 0.000 1.039 61 T CA 1.502 63.672 62.100 0.117 0.000 1.153 61 T CB -0.246 68.638 68.868 0.027 0.000 0.863 61 T HN 0.075 nan 8.240 nan 0.000 0.428 62 S N 1.442 117.166 115.700 0.040 0.000 2.369 62 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 62 S C 2.139 176.772 174.600 0.055 0.000 1.043 62 S CA 1.687 59.894 58.200 0.013 0.000 1.074 62 S CB -0.551 62.639 63.200 -0.017 0.000 0.962 62 S HN 0.443 nan 8.310 nan 0.000 0.433 63 M N 0.738 120.381 119.600 0.072 0.000 2.088 63 M HA -0.211 4.269 4.480 -0.000 0.000 0.256 63 M C 2.152 178.405 176.300 -0.078 0.000 1.071 63 M CA 1.753 57.046 55.300 -0.012 0.000 1.097 63 M CB -1.056 31.502 32.600 -0.071 0.000 1.315 63 M HN 0.408 nan 8.290 nan 0.000 0.406 64 H N -0.182 118.915 119.070 0.044 0.000 2.421 64 H HA 0.001 4.557 4.556 -0.000 0.000 0.298 64 H C 2.119 177.463 175.328 0.026 0.000 1.087 64 H CA 1.080 57.146 56.048 0.031 0.000 1.330 64 H CB -0.195 29.581 29.762 0.022 0.000 1.388 64 H HN 0.298 nan 8.280 nan 0.000 0.526 65 R N 0.646 121.223 120.500 0.129 0.000 2.280 65 R HA 0.021 4.361 4.340 -0.000 0.000 0.207 65 R C 1.600 177.939 176.300 0.065 0.000 1.043 65 R CA 0.297 56.449 56.100 0.085 0.000 1.006 65 R CB -0.010 30.326 30.300 0.060 0.000 0.885 65 R HN 0.348 nan 8.270 nan 0.000 0.467 66 L N -1.027 120.227 121.223 0.052 0.000 2.766 66 L HA 0.248 4.588 4.340 -0.000 0.000 0.242 66 L C 0.911 177.795 176.870 0.023 0.000 1.136 66 L CA 0.261 55.123 54.840 0.037 0.000 0.933 66 L CB 0.566 42.647 42.059 0.035 0.000 1.241 66 L HN 0.275 nan 8.230 nan 0.000 0.522 67 G N 0.577 109.396 108.800 0.032 0.000 2.143 67 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.249 67 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.249 67 G C 0.389 175.291 174.900 0.002 0.000 0.981 67 G CA 0.107 45.221 45.100 0.024 0.000 0.665 67 G HN 0.467 nan 8.290 nan 0.000 0.528 68 A N -0.184 122.617 122.820 -0.031 0.000 2.332 68 A HA 0.795 5.115 4.320 -0.000 0.000 0.258 68 A C 0.829 178.345 177.584 -0.114 0.000 1.087 68 A CA 0.814 52.821 52.037 -0.050 0.000 0.802 68 A CB 0.767 19.738 19.000 -0.048 0.000 1.042 68 A HN 0.979 nan 8.150 nan 0.000 0.489 69 S N -0.820 114.847 115.700 -0.054 0.000 2.610 69 S HA 0.538 5.008 4.470 -0.000 0.000 0.273 69 S C -0.417 174.130 174.600 -0.088 0.000 1.274 69 S CA -0.382 57.794 58.200 -0.041 0.000 1.023 69 S CB 0.837 64.056 63.200 0.033 0.000 0.962 69 S HN 0.597 nan 8.310 nan 0.000 0.523 70 V N 3.809 123.688 119.914 -0.058 0.000 2.588 70 V HA 0.659 4.779 4.120 -0.000 0.000 0.304 70 V C -0.424 175.689 176.094 0.032 0.000 1.042 70 V CA -0.686 61.592 62.300 -0.037 0.000 0.877 70 V CB 1.555 33.349 31.823 -0.049 0.000 0.996 70 V HN 0.731 nan 8.190 nan 0.000 0.425 71 V N 1.601 121.532 119.914 0.028 0.000 2.962 71 V HA 1.154 5.274 4.120 -0.000 0.000 0.313 71 V C 0.018 176.131 176.094 0.032 0.000 1.099 71 V CA 0.322 62.649 62.300 0.044 0.000 0.971 71 V CB 1.500 33.354 31.823 0.053 0.000 1.028 71 V HN 1.327 nan 8.190 nan 0.000 0.430 72 G N 2.060 110.891 108.800 0.052 0.000 2.452 72 G HA2 0.672 4.632 3.960 -0.000 0.000 0.224 72 G HA3 0.672 4.632 3.960 -0.000 0.000 0.224 72 G C -1.294 173.679 174.900 0.121 0.000 1.208 72 G CA 0.173 45.253 45.100 -0.034 0.000 0.946 72 G HN 2.024 nan 8.290 nan 0.000 0.481 73 F N -1.888 118.051 119.950 -0.018 0.000 3.306 73 F HA 0.855 5.382 4.527 -0.000 0.000 0.326 73 F C -0.623 175.167 175.800 -0.016 0.000 1.169 73 F CA -0.719 57.258 58.000 -0.037 0.000 0.883 73 F CB 1.148 40.101 39.000 -0.077 0.000 1.505 73 F HN 0.901 nan 8.300 nan 0.000 0.504 74 S N -0.364 115.489 115.700 0.255 0.000 2.537 74 S HA 0.481 4.951 4.470 -0.000 0.000 0.270 74 S C -1.977 172.753 174.600 0.216 0.000 1.142 74 S CA -0.505 57.797 58.200 0.170 0.000 0.870 74 S CB 1.538 64.768 63.200 0.050 0.000 1.112 74 S HN 1.325 nan 8.310 nan 0.000 0.466 75 D N 0.642 121.159 120.400 0.195 0.000 4.004 75 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 75 D C 0.320 176.689 176.300 0.117 0.000 1.026 75 D CA 0.916 55.008 54.000 0.153 0.000 1.116 75 D CB -0.978 39.883 40.800 0.102 0.000 0.813 75 D HN 0.635 nan 8.370 nan 0.000 0.430 76 S N 1.545 117.327 115.700 0.137 0.000 2.930 76 S HA 0.442 4.912 4.470 -0.000 0.000 0.257 76 S C 1.213 175.824 174.600 0.017 0.000 1.208 76 S CA -0.124 58.099 58.200 0.037 0.000 1.233 76 S CB 0.023 63.287 63.200 0.106 0.000 0.900 76 S HN 0.910 nan 8.310 nan 0.000 0.472 77 A N 1.144 123.974 122.820 0.017 0.000 2.348 77 A HA 0.351 4.671 4.320 -0.000 0.000 0.224 77 A C 1.606 179.183 177.584 -0.012 0.000 1.227 77 A CA -0.155 51.884 52.037 0.003 0.000 0.885 77 A CB -0.002 19.004 19.000 0.011 0.000 0.933 77 A HN 0.613 nan 8.150 nan 0.000 0.506 78 N N -0.417 118.270 118.700 -0.022 0.000 2.545 78 N HA 0.040 4.780 4.740 -0.000 0.000 0.190 78 N C 0.589 176.051 175.510 -0.079 0.000 1.043 78 N CA 0.833 53.863 53.050 -0.034 0.000 0.879 78 N CB -0.679 37.800 38.487 -0.013 0.000 1.210 78 N HN 0.223 nan 8.380 nan 0.000 0.437 79 T N 0.141 114.610 114.554 -0.142 0.000 2.716 79 T HA -0.004 4.346 4.350 -0.000 0.000 0.335 79 T C 1.341 175.946 174.700 -0.158 0.000 1.081 79 T CA 0.376 62.320 62.100 -0.260 0.000 1.073 79 T CB 0.595 69.173 68.868 -0.483 0.000 0.993 79 T HN -0.006 nan 8.240 nan 0.000 0.547 80 S N -0.216 115.391 115.700 -0.155 0.000 2.486 80 S HA 0.176 4.646 4.470 -0.000 0.000 0.220 80 S C 0.550 175.112 174.600 -0.063 0.000 1.011 80 S CA -0.083 58.065 58.200 -0.087 0.000 0.921 80 S CB -0.352 62.806 63.200 -0.070 0.000 0.785 80 S HN 0.519 nan 8.310 nan 0.000 0.517 81 L N -2.597 118.583 121.223 -0.071 0.000 2.330 81 L HA 0.958 5.298 4.340 -0.000 0.000 0.271 81 L C 0.655 177.530 176.870 0.009 0.000 1.013 81 L CA -0.020 54.805 54.840 -0.025 0.000 0.816 81 L CB 1.090 43.143 42.059 -0.010 0.000 1.287 81 L HN 0.088 nan 8.230 nan 0.000 0.435 82 G N 0.711 109.523 108.800 0.020 0.000 2.144 82 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 82 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 82 G C 0.685 175.600 174.900 0.025 0.000 0.988 82 G CA 0.388 45.512 45.100 0.040 0.000 0.659 82 G HN 0.751 nan 8.290 nan 0.000 0.522 83 K N -0.064 120.341 120.400 0.008 0.000 2.334 83 K HA 0.234 4.554 4.320 -0.000 0.000 0.195 83 K C 2.076 178.674 176.600 -0.004 0.000 1.045 83 K CA 1.229 57.518 56.287 0.002 0.000 1.004 83 K CB 0.110 32.608 32.500 -0.003 0.000 0.837 83 K HN 0.525 nan 8.250 nan 0.000 0.510 84 K N -2.854 117.541 120.400 -0.007 0.000 2.532 84 K HA 0.062 4.382 4.320 -0.000 0.000 0.169 84 K C 1.308 177.900 176.600 -0.014 0.000 1.870 84 K CA 0.442 56.722 56.287 -0.011 0.000 1.217 84 K CB 0.316 32.809 32.500 -0.010 0.000 1.863 84 K HN 0.037 nan 8.250 nan 0.000 0.566 85 G N 1.286 110.078 108.800 -0.014 0.000 2.765 85 G HA2 0.029 3.989 3.960 -0.000 0.000 0.218 85 G HA3 0.029 3.989 3.960 -0.000 0.000 0.218 85 G C -0.309 174.578 174.900 -0.022 0.000 1.271 85 G CA 0.027 45.117 45.100 -0.017 0.000 0.865 85 G HN 0.261 nan 8.290 nan 0.000 0.604 86 E N 1.554 121.743 120.200 -0.018 0.000 2.366 86 E HA 0.339 4.689 4.350 -0.000 0.000 0.266 86 E C 0.804 177.380 176.600 -0.039 0.000 1.015 86 E CA -0.140 56.245 56.400 -0.025 0.000 0.906 86 E CB 0.542 30.237 29.700 -0.009 0.000 0.979 86 E HN 0.339 nan 8.360 nan 0.000 0.443 87 T N 2.002 116.513 114.554 -0.072 0.000 2.766 87 T HA -0.010 4.340 4.350 -0.000 0.000 0.295 87 T C 1.022 175.639 174.700 -0.139 0.000 1.024 87 T CA -0.519 61.512 62.100 -0.114 0.000 1.018 87 T CB 0.711 69.483 68.868 -0.160 0.000 1.002 87 T HN 0.513 nan 8.240 nan 0.000 0.532 88 L N 1.947 123.049 121.223 -0.201 0.000 2.179 88 L HA 0.267 4.607 4.340 -0.000 0.000 0.208 88 L C 2.710 179.390 176.870 -0.316 0.000 1.096 88 L CA 2.050 56.742 54.840 -0.247 0.000 0.779 88 L CB -1.436 40.404 42.059 -0.364 0.000 0.922 88 L HN 0.922 nan 8.230 nan 0.000 0.443 89 A N -0.308 122.208 122.820 -0.507 0.000 1.851 89 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 89 A C 1.966 179.270 177.584 -0.468 0.000 1.195 89 A CA 2.119 53.612 52.037 -0.906 0.000 0.622 89 A CB -1.083 16.952 19.000 -1.608 0.000 0.831 89 A HN 0.494 nan 8.150 nan 0.000 0.444 90 D N -0.873 119.345 120.400 -0.304 0.000 2.221 90 D HA -0.073 4.567 4.640 -0.000 0.000 0.204 90 D C 1.954 178.207 176.300 -0.080 0.000 0.982 90 D CA 1.687 55.601 54.000 -0.143 0.000 0.857 90 D CB -0.303 40.437 40.800 -0.101 0.000 0.934 90 D HN 0.479 nan 8.370 nan 0.000 0.475 91 T N 0.217 114.728 114.554 -0.071 0.000 2.809 91 T HA -0.049 4.301 4.350 -0.000 0.000 0.260 91 T C 1.796 176.515 174.700 0.032 0.000 1.039 91 T CA 0.204 62.316 62.100 0.020 0.000 1.141 91 T CB 0.028 68.958 68.868 0.104 0.000 0.869 91 T HN 0.025 nan 8.240 nan 0.000 0.437 92 I N 1.912 122.481 120.570 -0.002 0.000 2.226 92 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 92 I C 2.624 178.744 176.117 0.004 0.000 1.100 92 I CA 0.898 62.209 61.300 0.018 0.000 1.374 92 I CB -1.397 36.610 38.000 0.012 0.000 1.057 92 I HN 0.132 nan 8.210 nan 0.000 0.413 93 S N 0.170 115.874 115.700 0.006 0.000 2.365 93 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 93 S C 2.223 176.789 174.600 -0.055 0.000 1.039 93 S CA 1.522 59.733 58.200 0.018 0.000 1.033 93 S CB -0.302 62.923 63.200 0.041 0.000 0.887 93 S HN 0.287 nan 8.310 nan 0.000 0.447 94 V N 1.996 121.867 119.914 -0.071 0.000 2.323 94 V HA -0.093 4.027 4.120 -0.000 0.000 0.244 94 V C 2.198 178.068 176.094 -0.373 0.000 1.041 94 V CA 1.061 63.275 62.300 -0.143 0.000 1.025 94 V CB -0.540 31.257 31.823 -0.043 0.000 0.656 94 V HN 0.412 nan 8.190 nan 0.000 0.451 95 I N 1.471 121.897 120.570 -0.239 0.000 2.208 95 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 95 I C 2.316 178.201 176.117 -0.387 0.000 1.097 95 I CA 2.298 63.425 61.300 -0.289 0.000 1.363 95 I CB -1.132 36.874 38.000 0.010 0.000 1.051 95 I HN 0.540 nan 8.210 nan 0.000 0.413 96 S N -0.579 114.996 115.700 -0.209 0.000 2.851 96 S HA -0.017 4.453 4.470 -0.000 0.000 0.227 96 S C 1.441 175.947 174.600 -0.156 0.000 0.958 96 S CA 0.552 58.676 58.200 -0.128 0.000 0.990 96 S CB -0.914 62.262 63.200 -0.041 0.000 0.790 96 S HN 0.596 nan 8.310 nan 0.000 0.509 97 T N -1.948 112.414 114.554 -0.320 0.000 3.022 97 T HA 0.176 4.526 4.350 -0.000 0.000 0.250 97 T C 0.657 175.295 174.700 -0.104 0.000 1.060 97 T CA -0.086 61.888 62.100 -0.209 0.000 1.013 97 T CB -0.428 68.321 68.868 -0.199 0.000 0.982 97 T HN 0.643 nan 8.240 nan 0.000 0.508 98 Y N 0.448 120.767 120.300 0.032 0.000 2.830 98 Y HA 0.686 5.235 4.550 -0.000 0.000 0.255 98 Y C -0.297 175.619 175.900 0.027 0.000 1.130 98 Y CA -1.997 56.119 58.100 0.028 0.000 1.217 98 Y CB -0.583 37.893 38.460 0.027 0.000 1.296 98 Y HN 0.223 nan 8.280 nan 0.000 0.571 99 V N -3.191 116.832 119.914 0.181 0.000 3.126 99 V HA 0.582 4.702 4.120 -0.000 0.000 0.314 99 V C 0.032 176.169 176.094 0.073 0.000 1.138 99 V CA -0.592 61.790 62.300 0.138 0.000 1.034 99 V CB 2.578 34.481 31.823 0.132 0.000 1.075 99 V HN 0.040 nan 8.190 nan 0.000 0.442 100 D N 1.117 121.552 120.400 0.058 0.000 2.346 100 D HA 0.487 5.127 4.640 -0.000 0.000 0.206 100 D C 0.568 176.881 176.300 0.021 0.000 1.001 100 D CA 1.518 55.542 54.000 0.040 0.000 0.871 100 D CB 1.372 42.200 40.800 0.047 0.000 0.943 100 D HN 1.035 nan 8.370 nan 0.000 0.518 101 A N 0.265 123.097 122.820 0.021 0.000 2.599 101 A HA 0.591 4.911 4.320 -0.000 0.000 0.294 101 A C -1.662 175.922 177.584 -0.000 0.000 1.055 101 A CA -0.624 51.419 52.037 0.010 0.000 0.683 101 A CB 0.976 19.980 19.000 0.006 0.000 1.278 101 A HN 0.005 nan 8.150 nan 0.000 0.412 102 I N 1.274 121.840 120.570 -0.007 0.000 2.436 102 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 102 I C -0.764 175.289 176.117 -0.107 0.000 1.010 102 I CA -0.966 60.309 61.300 -0.043 0.000 1.098 102 I CB 2.047 40.038 38.000 -0.015 0.000 1.266 102 I HN 0.343 nan 8.210 nan 0.000 0.434 103 V N 7.539 127.329 119.914 -0.206 0.000 2.370 103 V HA 0.516 4.636 4.120 -0.000 0.000 0.279 103 V C 0.002 175.843 176.094 -0.422 0.000 1.029 103 V CA -0.432 61.633 62.300 -0.392 0.000 0.870 103 V CB 1.261 32.686 31.823 -0.664 0.000 0.984 103 V HN 0.756 nan 8.190 nan 0.000 0.451 104 M N 4.356 123.725 119.600 -0.386 0.000 2.386 104 M HA 0.708 5.187 4.480 -0.000 0.000 0.293 104 M C -1.010 175.055 176.300 -0.391 0.000 1.120 104 M CA -0.738 54.353 55.300 -0.349 0.000 0.909 104 M CB 2.396 34.992 32.600 -0.005 0.000 1.661 104 M HN 0.446 nan 8.290 nan 0.000 0.452 105 R N 1.999 122.173 120.500 -0.543 0.000 2.460 105 R HA 0.541 4.881 4.340 -0.000 0.000 0.303 105 R C -1.602 174.762 176.300 0.107 0.000 0.968 105 R CA -0.356 55.564 56.100 -0.299 0.000 0.889 105 R CB 1.047 31.099 30.300 -0.412 0.000 1.123 105 R HN 0.882 nan 8.270 nan 0.000 0.455 106 H N 4.913 123.963 119.070 -0.034 0.000 2.954 106 H HA 0.216 4.772 4.556 -0.000 0.000 0.361 106 H C -2.147 173.164 175.328 -0.028 0.000 1.122 106 H CA -1.862 54.173 56.048 -0.022 0.000 1.217 106 H CB 2.749 32.405 29.762 -0.175 0.000 1.776 106 H HN 0.433 nan 8.280 nan 0.000 0.533 107 P HA -0.101 nan 4.420 nan 0.000 0.218 107 P C -0.084 177.229 177.300 0.022 0.000 1.149 107 P CA 0.954 63.991 63.100 -0.105 0.000 0.817 107 P CB 0.809 32.396 31.700 -0.189 0.000 0.785 108 Q N 0.182 120.109 119.800 0.211 0.000 2.241 108 Q HA 0.230 4.569 4.340 -0.000 0.000 0.254 108 Q C -0.340 175.718 176.000 0.096 0.000 0.917 108 Q CA -0.439 55.451 55.803 0.146 0.000 0.919 108 Q CB 0.860 29.682 28.738 0.141 0.000 1.237 108 Q HN 0.034 nan 8.270 nan 0.000 0.434 109 E N 0.556 120.779 120.200 0.039 0.000 2.415 109 E HA 0.245 4.594 4.350 -0.000 0.000 0.263 109 E C 0.678 177.268 176.600 -0.017 0.000 0.995 109 E CA 1.266 57.674 56.400 0.014 0.000 0.915 109 E CB 0.339 30.047 29.700 0.014 0.000 0.951 109 E HN 0.818 nan 8.360 nan 0.000 0.449 110 G N 2.074 110.855 108.800 -0.031 0.000 2.157 110 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.248 110 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.248 110 G C 0.983 175.819 174.900 -0.106 0.000 0.979 110 G CA 0.402 45.469 45.100 -0.054 0.000 0.650 110 G HN 0.653 nan 8.290 nan 0.000 0.529 111 A N 0.158 122.886 122.820 -0.153 0.000 1.930 111 A HA 0.481 4.801 4.320 -0.000 0.000 0.217 111 A C 2.785 180.212 177.584 -0.261 0.000 1.175 111 A CA 2.481 54.319 52.037 -0.331 0.000 0.627 111 A CB -0.742 17.903 19.000 -0.591 0.000 0.815 111 A HN 1.743 nan 8.150 nan 0.000 0.443 112 A N 0.006 122.732 122.820 -0.158 0.000 1.898 112 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 112 A C 2.180 179.696 177.584 -0.113 0.000 1.181 112 A CA 1.903 53.869 52.037 -0.118 0.000 0.620 112 A CB -0.430 18.532 19.000 -0.064 0.000 0.819 112 A HN 0.508 nan 8.150 nan 0.000 0.442 113 R N -0.226 120.220 120.500 -0.090 0.000 2.096 113 R HA -0.025 4.315 4.340 -0.000 0.000 0.235 113 R C 1.929 178.177 176.300 -0.087 0.000 1.127 113 R CA 1.614 57.665 56.100 -0.082 0.000 0.968 113 R CB -0.625 29.643 30.300 -0.053 0.000 0.861 113 R HN 0.498 nan 8.270 nan 0.000 0.440 114 L N -0.190 120.986 121.223 -0.079 0.000 2.093 114 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 114 L C 2.240 179.142 176.870 0.054 0.000 1.085 114 L CA 1.548 56.382 54.840 -0.009 0.000 0.755 114 L CB -0.498 41.534 42.059 -0.045 0.000 0.904 114 L HN 0.336 nan 8.230 nan 0.000 0.435 115 A N 0.039 122.827 122.820 -0.052 0.000 1.884 115 A HA -0.346 3.974 4.320 -0.000 0.000 0.219 115 A C 2.378 179.927 177.584 -0.059 0.000 1.197 115 A CA 2.943 54.958 52.037 -0.036 0.000 0.637 115 A CB -1.621 17.315 19.000 -0.107 0.000 0.827 115 A HN 0.650 nan 8.150 nan 0.000 0.450 116 T N -1.239 113.166 114.554 -0.247 0.000 2.802 116 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 116 T C 1.307 175.839 174.700 -0.280 0.000 1.062 116 T CA 1.788 63.597 62.100 -0.484 0.000 1.133 116 T CB -0.672 67.850 68.868 -0.576 0.000 0.852 116 T HN 0.709 nan 8.240 nan 0.000 0.485 117 E N -0.146 119.922 120.200 -0.220 0.000 2.481 117 E HA 0.113 4.463 4.350 -0.000 0.000 0.195 117 E C 0.721 176.830 176.600 -0.818 0.000 1.047 117 E CA 0.500 56.611 56.400 -0.481 0.000 0.867 117 E CB -0.047 29.309 29.700 -0.573 0.000 0.858 117 E HN 0.679 nan 8.360 nan 0.000 0.513 118 F N -0.424 119.465 119.950 -0.101 0.000 2.831 118 F HA 0.054 4.581 4.527 -0.000 0.000 0.334 118 F C 2.160 177.919 175.800 -0.068 0.000 1.071 118 F CA 0.065 58.019 58.000 -0.076 0.000 1.172 118 F CB 0.496 39.449 39.000 -0.078 0.000 1.054 118 F HN -0.085 nan 8.300 nan 0.000 0.572 119 S N -0.402 115.329 115.700 0.052 0.000 2.603 119 S HA 0.297 4.767 4.470 -0.000 0.000 0.229 119 S C 1.815 176.429 174.600 0.024 0.000 0.972 119 S CA 0.527 58.744 58.200 0.028 0.000 0.935 119 S CB -0.837 62.370 63.200 0.012 0.000 0.769 119 S HN 0.561 nan 8.310 nan 0.000 0.536 120 G N 3.856 112.655 108.800 -0.003 0.000 2.634 120 G HA2 -0.488 3.471 3.960 -0.000 0.000 0.318 120 G HA3 -0.488 3.471 3.960 -0.000 0.000 0.318 120 G C 0.769 175.697 174.900 0.046 0.000 1.207 120 G CA 0.627 45.726 45.100 -0.001 0.000 0.987 120 G HN 0.660 nan 8.290 nan 0.000 0.547 121 N N 0.446 119.163 118.700 0.029 0.000 2.415 121 N HA 0.059 4.799 4.740 -0.000 0.000 0.176 121 N C 1.033 176.547 175.510 0.007 0.000 1.042 121 N CA 1.087 54.143 53.050 0.009 0.000 0.902 121 N CB 0.179 38.658 38.487 -0.013 0.000 0.986 121 N HN 0.547 nan 8.380 nan 0.000 0.447 122 V N 3.569 123.508 119.914 0.041 0.000 2.493 122 V HA 0.106 4.226 4.120 -0.000 0.000 0.292 122 V C -2.075 174.099 176.094 0.134 0.000 1.016 122 V CA -0.910 61.415 62.300 0.041 0.000 1.097 122 V CB 0.264 32.107 31.823 0.033 0.000 0.947 122 V HN 0.099 nan 8.190 nan 0.000 0.479 123 P HA 0.205 nan 4.420 nan 0.000 0.271 123 P C -0.681 176.746 177.300 0.211 0.000 1.216 123 P CA -0.054 63.076 63.100 0.049 0.000 0.776 123 P CB 0.688 32.315 31.700 -0.122 0.000 0.881 124 V N 4.846 125.038 119.914 0.462 0.000 2.409 124 V HA 0.288 4.408 4.120 -0.000 0.000 0.291 124 V C -0.154 176.011 176.094 0.118 0.000 1.020 124 V CA -0.472 61.927 62.300 0.164 0.000 0.848 124 V CB 1.234 33.047 31.823 -0.018 0.000 0.990 124 V HN 0.308 nan 8.190 nan 0.000 0.430 125 L N 4.469 125.712 121.223 0.032 0.000 2.296 125 L HA 0.503 4.842 4.340 -0.000 0.000 0.286 125 L C 0.201 177.070 176.870 -0.002 0.000 1.023 125 L CA -0.206 54.661 54.840 0.046 0.000 0.812 125 L CB 1.297 43.395 42.059 0.064 0.000 1.223 125 L HN 0.481 nan 8.230 nan 0.000 0.421 126 N N 1.962 120.699 118.700 0.062 0.000 2.411 126 N HA 0.356 5.096 4.740 -0.000 0.000 0.259 126 N C 0.273 175.862 175.510 0.132 0.000 1.103 126 N CA 0.087 53.165 53.050 0.048 0.000 0.954 126 N CB 1.568 40.095 38.487 0.068 0.000 1.085 126 N HN 0.712 nan 8.380 nan 0.000 0.485 127 A N 2.245 125.071 122.820 0.010 0.000 2.460 127 A HA 0.539 4.859 4.320 -0.000 0.000 0.258 127 A C 0.573 178.054 177.584 -0.172 0.000 1.300 127 A CA 0.233 52.332 52.037 0.104 0.000 0.913 127 A CB -0.623 18.346 19.000 -0.052 0.000 1.031 127 A HN 0.802 nan 8.150 nan 0.000 0.512 128 G N 0.998 109.709 108.800 -0.148 0.000 3.162 128 G HA2 0.315 4.274 3.960 -0.000 0.000 0.599 128 G HA3 0.315 4.274 3.960 -0.000 0.000 0.599 128 G C -1.485 173.380 174.900 -0.058 0.000 1.335 128 G CA -0.267 44.722 45.100 -0.185 0.000 1.091 128 G HN 0.491 nan 8.290 nan 0.000 0.570 129 D N 1.921 122.318 120.400 -0.006 0.000 2.404 129 D HA 0.578 5.217 4.640 -0.000 0.000 0.267 129 D C 1.208 177.527 176.300 0.032 0.000 1.194 129 D CA 0.460 54.471 54.000 0.019 0.000 0.910 129 D CB 0.599 41.400 40.800 0.003 0.000 1.090 129 D HN 1.794 nan 8.370 nan 0.000 0.511 130 G N 2.575 111.396 108.800 0.035 0.000 2.581 130 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.291 130 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.291 130 G C 1.031 175.956 174.900 0.041 0.000 1.277 130 G CA 0.827 45.947 45.100 0.033 0.000 0.959 130 G HN 0.996 nan 8.290 nan 0.000 0.554 131 S N 0.528 116.257 115.700 0.049 0.000 2.595 131 S HA -0.055 4.415 4.470 -0.000 0.000 0.235 131 S C 1.669 176.322 174.600 0.088 0.000 0.974 131 S CA 1.450 59.695 58.200 0.075 0.000 0.942 131 S CB -0.085 63.167 63.200 0.088 0.000 0.766 131 S HN 0.810 nan 8.310 nan 0.000 0.536 132 N N 1.706 120.447 118.700 0.068 0.000 2.073 132 N HA 0.004 4.744 4.740 -0.000 0.000 0.190 132 N C 0.417 175.984 175.510 0.094 0.000 1.075 132 N CA 1.219 54.310 53.050 0.069 0.000 0.866 132 N CB -0.080 38.432 38.487 0.041 0.000 1.051 132 N HN 0.399 nan 8.380 nan 0.000 0.437 133 Q N -1.298 118.558 119.800 0.093 0.000 2.484 133 Q HA 0.230 4.569 4.340 -0.000 0.000 0.285 133 Q C -1.262 174.849 176.000 0.185 0.000 1.097 133 Q CA -0.494 55.387 55.803 0.130 0.000 0.802 133 Q CB 2.054 30.856 28.738 0.106 0.000 1.444 133 Q HN 0.510 nan 8.270 nan 0.000 0.429 134 H N 0.752 119.878 119.070 0.093 0.000 2.927 134 H HA 0.264 4.820 4.556 -0.000 0.000 0.213 134 H C -2.328 173.072 175.328 0.120 0.000 1.363 134 H CA -1.923 54.194 56.048 0.115 0.000 1.369 134 H CB 0.543 30.376 29.762 0.119 0.000 2.040 134 H HN 0.253 nan 8.280 nan 0.000 0.544 135 P HA -0.155 nan 4.420 nan 0.000 0.215 135 P C 1.658 179.004 177.300 0.076 0.000 1.153 135 P CA 2.401 65.584 63.100 0.138 0.000 0.853 135 P CB 0.180 31.968 31.700 0.147 0.000 0.788 136 T N -2.422 112.193 114.554 0.102 0.000 2.759 136 T HA -0.250 4.100 4.350 -0.000 0.000 0.269 136 T C 1.961 176.593 174.700 -0.114 0.000 1.042 136 T CA 1.440 63.548 62.100 0.013 0.000 1.140 136 T CB -1.027 67.877 68.868 0.061 0.000 0.864 136 T HN 0.062 nan 8.240 nan 0.000 0.455 137 Q N 1.802 121.385 119.800 -0.363 0.000 2.050 137 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 137 Q C 2.293 178.246 176.000 -0.077 0.000 0.980 137 Q CA 2.445 58.045 55.803 -0.339 0.000 0.840 137 Q CB -1.190 27.161 28.738 -0.645 0.000 0.898 137 Q HN 0.636 nan 8.270 nan 0.000 0.424 138 T N 1.074 115.600 114.554 -0.045 0.000 2.788 138 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 138 T C 1.773 176.512 174.700 0.064 0.000 1.044 138 T CA 1.340 63.457 62.100 0.027 0.000 1.139 138 T CB -0.268 68.625 68.868 0.041 0.000 0.867 138 T HN 0.206 nan 8.240 nan 0.000 0.454 139 L N 0.579 121.838 121.223 0.060 0.000 1.994 139 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 139 L C 2.569 179.527 176.870 0.148 0.000 1.071 139 L CA 1.168 56.064 54.840 0.094 0.000 0.745 139 L CB -0.732 41.365 42.059 0.064 0.000 0.892 139 L HN 0.243 nan 8.230 nan 0.000 0.431 140 L N -0.113 121.181 121.223 0.118 0.000 2.034 140 L HA -0.342 3.998 4.340 -0.000 0.000 0.217 140 L C 2.216 179.216 176.870 0.217 0.000 1.077 140 L CA 1.986 56.936 54.840 0.182 0.000 0.769 140 L CB -0.404 41.709 42.059 0.091 0.000 0.890 140 L HN 0.328 nan 8.230 nan 0.000 0.435 141 D N -0.099 120.401 120.400 0.167 0.000 2.084 141 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 141 D C 2.359 178.742 176.300 0.139 0.000 0.985 141 D CA 1.730 55.841 54.000 0.185 0.000 0.826 141 D CB -0.349 40.561 40.800 0.183 0.000 0.978 141 D HN 0.404 nan 8.370 nan 0.000 0.456 142 L N 0.035 121.325 121.223 0.111 0.000 2.012 142 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 142 L C 2.491 179.417 176.870 0.092 0.000 1.073 142 L CA 1.033 55.907 54.840 0.057 0.000 0.748 142 L CB -0.538 41.551 42.059 0.050 0.000 0.891 142 L HN 0.007 nan 8.230 nan 0.000 0.431 143 F N 0.385 120.357 119.950 0.038 0.000 2.307 143 F HA -0.249 4.278 4.527 -0.000 0.000 0.301 143 F C 2.198 178.039 175.800 0.069 0.000 1.076 143 F CA 1.616 59.648 58.000 0.052 0.000 1.383 143 F CB -0.044 39.008 39.000 0.087 0.000 1.055 143 F HN -0.022 nan 8.300 nan 0.000 0.526 144 T N 0.648 115.122 114.554 -0.133 0.000 2.978 144 T HA 0.004 4.354 4.350 -0.000 0.000 0.262 144 T C 1.835 176.452 174.700 -0.139 0.000 1.063 144 T CA 1.176 63.177 62.100 -0.166 0.000 1.140 144 T CB -0.137 68.777 68.868 0.078 0.000 0.886 144 T HN 0.195 nan 8.240 nan 0.000 0.470 145 I N 1.425 121.950 120.570 -0.075 0.000 2.226 145 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 145 I C 2.755 178.779 176.117 -0.155 0.000 1.100 145 I CA 1.345 62.584 61.300 -0.102 0.000 1.374 145 I CB -0.302 37.649 38.000 -0.081 0.000 1.057 145 I HN 0.268 nan 8.210 nan 0.000 0.413 146 Q N 1.294 121.006 119.800 -0.146 0.000 1.993 146 Q HA -0.311 4.028 4.340 -0.000 0.000 0.202 146 Q C 2.119 178.023 176.000 -0.161 0.000 0.984 146 Q CA 2.197 57.920 55.803 -0.132 0.000 0.837 146 Q CB -0.306 28.400 28.738 -0.053 0.000 0.902 146 Q HN 0.599 nan 8.270 nan 0.000 0.423 147 E N -0.111 119.939 120.200 -0.249 0.000 2.267 147 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 147 E C 1.601 178.060 176.600 -0.235 0.000 0.998 147 E CA 1.861 58.098 56.400 -0.270 0.000 0.830 147 E CB -0.149 29.233 29.700 -0.529 0.000 0.751 147 E HN 0.584 nan 8.360 nan 0.000 0.491 148 T N -3.273 111.115 114.554 -0.276 0.000 3.034 148 T HA 0.080 4.430 4.350 -0.000 0.000 0.248 148 T C 1.860 176.398 174.700 -0.270 0.000 1.040 148 T CA 0.063 61.951 62.100 -0.352 0.000 1.107 148 T CB 0.187 68.718 68.868 -0.562 0.000 0.932 148 T HN -0.040 nan 8.240 nan 0.000 0.474 149 Q N 1.239 120.910 119.800 -0.215 0.000 2.123 149 Q HA 0.364 4.704 4.340 -0.000 0.000 0.196 149 Q C 2.060 177.976 176.000 -0.140 0.000 0.958 149 Q CA 1.719 57.419 55.803 -0.173 0.000 0.841 149 Q CB -0.416 28.226 28.738 -0.160 0.000 0.915 149 Q HN 0.782 nan 8.270 nan 0.000 0.455 150 G N 0.271 108.995 108.800 -0.128 0.000 2.218 150 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 150 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 150 G C 0.112 174.966 174.900 -0.077 0.000 0.994 150 G CA 0.123 45.168 45.100 -0.092 0.000 0.637 150 G HN 0.373 nan 8.290 nan 0.000 0.505 151 R N -1.298 119.141 120.500 -0.102 0.000 2.766 151 R HA 0.806 5.146 4.340 -0.000 0.000 0.270 151 R C 0.056 176.255 176.300 -0.168 0.000 1.035 151 R CA -1.027 55.014 56.100 -0.098 0.000 0.911 151 R CB 0.458 30.712 30.300 -0.078 0.000 1.243 151 R HN 0.099 nan 8.270 nan 0.000 0.460 152 L N -0.304 120.788 121.223 -0.218 0.000 2.858 152 L HA 0.345 4.685 4.340 -0.000 0.000 0.251 152 L C -0.609 176.108 176.870 -0.255 0.000 1.149 152 L CA -0.089 54.478 54.840 -0.456 0.000 0.955 152 L CB 0.461 41.822 42.059 -1.163 0.000 1.289 152 L HN 0.543 nan 8.230 nan 0.000 0.542 153 D N 0.469 120.831 120.400 -0.064 0.000 2.198 153 D HA 0.230 4.869 4.640 -0.000 0.000 0.247 153 D C -0.120 176.148 176.300 -0.053 0.000 1.010 153 D CA -0.449 53.568 54.000 0.029 0.000 0.880 153 D CB 1.276 42.128 40.800 0.086 0.000 1.209 153 D HN -0.021 nan 8.370 nan 0.000 0.451 154 N N 0.032 118.705 118.700 -0.046 0.000 2.705 154 N HA -0.213 4.527 4.740 -0.000 0.000 0.255 154 N C -0.885 174.481 175.510 -0.239 0.000 1.008 154 N CA 0.256 53.241 53.050 -0.109 0.000 0.742 154 N CB -1.173 37.261 38.487 -0.089 0.000 0.906 154 N HN 0.308 nan 8.380 nan 0.000 0.541 155 L N -0.253 120.824 121.223 -0.243 0.000 2.332 155 L HA 0.477 4.817 4.340 -0.000 0.000 0.269 155 L C 0.477 177.168 176.870 -0.299 0.000 1.016 155 L CA -0.771 53.882 54.840 -0.312 0.000 0.809 155 L CB 1.125 43.042 42.059 -0.237 0.000 1.280 155 L HN 0.288 nan 8.230 nan 0.000 0.447 156 H N 0.471 119.450 119.070 -0.152 0.000 2.725 156 H HA 0.435 4.990 4.556 -0.000 0.000 0.283 156 H C -1.204 174.063 175.328 -0.101 0.000 1.110 156 H CA -0.739 55.241 56.048 -0.113 0.000 1.289 156 H CB 1.214 31.016 29.762 0.067 0.000 1.400 156 H HN 0.139 nan 8.280 nan 0.000 0.493 157 V N 2.663 122.463 119.914 -0.189 0.000 2.384 157 V HA 0.550 4.670 4.120 -0.000 0.000 0.287 157 V C 0.052 176.099 176.094 -0.079 0.000 1.020 157 V CA -0.727 61.455 62.300 -0.198 0.000 0.850 157 V CB 1.294 32.852 31.823 -0.443 0.000 0.987 157 V HN 0.802 nan 8.190 nan 0.000 0.436 158 A N 7.346 130.242 122.820 0.126 0.000 2.303 158 A HA 0.893 5.213 4.320 -0.000 0.000 0.320 158 A C -0.313 177.399 177.584 0.213 0.000 1.192 158 A CA -0.649 51.509 52.037 0.202 0.000 0.821 158 A CB 0.892 20.019 19.000 0.212 0.000 1.188 158 A HN 0.785 nan 8.150 nan 0.000 0.492 159 M N 2.737 122.483 119.600 0.244 0.000 2.336 159 M HA 0.640 5.120 4.480 -0.000 0.000 0.342 159 M C -1.093 175.359 176.300 0.254 0.000 1.128 159 M CA -0.702 54.772 55.300 0.290 0.000 1.016 159 M CB 1.261 34.056 32.600 0.325 0.000 1.665 159 M HN 0.247 nan 8.290 nan 0.000 0.445 160 V N 1.598 121.630 119.914 0.196 0.000 2.760 160 V HA 0.889 5.009 4.120 -0.000 0.000 0.309 160 V C 0.420 176.547 176.094 0.055 0.000 1.077 160 V CA 0.360 62.745 62.300 0.142 0.000 0.910 160 V CB 1.572 33.494 31.823 0.165 0.000 1.008 160 V HN 1.211 nan 8.190 nan 0.000 0.424 161 G N 4.041 112.804 108.800 -0.062 0.000 2.659 161 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.214 161 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.214 161 G C -0.362 174.434 174.900 -0.173 0.000 1.191 161 G CA 0.083 45.095 45.100 -0.146 0.000 1.141 161 G HN 0.745 nan 8.290 nan 0.000 0.581 162 D N 2.190 122.545 120.400 -0.076 0.000 2.545 162 D HA 0.343 4.983 4.640 -0.000 0.000 0.227 162 D C 1.903 178.158 176.300 -0.076 0.000 1.150 162 D CA -0.055 53.912 54.000 -0.055 0.000 1.046 162 D CB -0.441 40.382 40.800 0.038 0.000 1.098 162 D HN 0.385 nan 8.370 nan 0.000 0.502 163 L N 1.981 123.136 121.223 -0.113 0.000 2.478 163 L HA -0.003 4.337 4.340 -0.000 0.000 0.223 163 L C 2.256 179.067 176.870 -0.098 0.000 1.140 163 L CA 0.414 55.194 54.840 -0.100 0.000 0.842 163 L CB -0.018 41.975 42.059 -0.109 0.000 0.953 163 L HN 0.209 nan 8.230 nan 0.000 0.452 164 K N 0.044 120.320 120.400 -0.206 0.000 2.098 164 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 164 K C 0.030 176.406 176.600 -0.375 0.000 1.051 164 K CA 0.854 56.922 56.287 -0.365 0.000 0.957 164 K CB 0.311 32.418 32.500 -0.656 0.000 0.738 164 K HN 0.111 nan 8.250 nan 0.000 0.447 165 Y N -0.230 120.077 120.300 0.011 0.000 2.635 165 Y HA 0.402 4.952 4.550 -0.000 0.000 0.373 165 Y C -0.081 175.776 175.900 -0.071 0.000 1.000 165 Y CA -1.103 56.998 58.100 0.000 0.000 1.219 165 Y CB 1.369 39.840 38.460 0.018 0.000 1.294 165 Y HN -0.011 nan 8.280 nan 0.000 0.612 166 G N 0.903 109.624 108.800 -0.132 0.000 3.405 166 G HA2 0.205 4.165 3.960 -0.000 0.000 0.318 166 G HA3 0.205 4.165 3.960 -0.000 0.000 0.318 166 G C 0.794 175.435 174.900 -0.432 0.000 1.597 166 G CA -0.735 44.243 45.100 -0.203 0.000 1.022 166 G HN 0.462 nan 8.290 nan 0.000 0.506 167 R N 1.147 121.541 120.500 -0.177 0.000 2.117 167 R HA -0.167 4.173 4.340 -0.000 0.000 0.243 167 R C 2.358 178.625 176.300 -0.055 0.000 1.143 167 R CA 2.592 58.642 56.100 -0.083 0.000 0.968 167 R CB -0.516 29.830 30.300 0.078 0.000 0.863 167 R HN 0.471 nan 8.270 nan 0.000 0.444 168 T N -1.885 112.663 114.554 -0.009 0.000 2.867 168 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 168 T C 1.956 176.619 174.700 -0.062 0.000 1.057 168 T CA 1.263 63.381 62.100 0.030 0.000 1.136 168 T CB -0.318 68.623 68.868 0.122 0.000 0.874 168 T HN 0.093 nan 8.240 nan 0.000 0.466 169 V N 1.492 121.334 119.914 -0.121 0.000 2.453 169 V HA -0.104 4.016 4.120 -0.000 0.000 0.247 169 V C 2.478 178.535 176.094 -0.061 0.000 1.048 169 V CA 1.707 63.918 62.300 -0.148 0.000 1.049 169 V CB -0.860 30.912 31.823 -0.085 0.000 0.672 169 V HN 0.689 nan 8.190 nan 0.000 0.457 170 H N 0.227 119.259 119.070 -0.063 0.000 2.389 170 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 170 H C 2.461 177.765 175.328 -0.041 0.000 1.081 170 H CA 1.318 57.317 56.048 -0.082 0.000 1.345 170 H CB 0.046 29.791 29.762 -0.029 0.000 1.393 170 H HN 0.491 nan 8.280 nan 0.000 0.520 171 S N 1.183 116.943 115.700 0.100 0.000 2.357 171 S HA -0.133 4.337 4.470 -0.000 0.000 0.221 171 S C 2.090 176.713 174.600 0.038 0.000 1.031 171 S CA 0.715 58.959 58.200 0.075 0.000 0.982 171 S CB -0.434 62.811 63.200 0.076 0.000 0.853 171 S HN 0.130 nan 8.310 nan 0.000 0.458 172 L N 2.445 123.654 121.223 -0.023 0.000 2.013 172 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 172 L C 2.373 179.266 176.870 0.039 0.000 1.073 172 L CA 2.046 56.856 54.840 -0.050 0.000 0.753 172 L CB -1.724 40.180 42.059 -0.258 0.000 0.890 172 L HN 0.301 nan 8.230 nan 0.000 0.432 173 T N -0.831 113.731 114.554 0.013 0.000 2.746 173 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 173 T C 1.811 176.498 174.700 -0.023 0.000 1.039 173 T CA 1.623 63.692 62.100 -0.051 0.000 1.142 173 T CB -0.161 68.566 68.868 -0.235 0.000 0.866 173 T HN 0.482 nan 8.240 nan 0.000 0.444 174 Q N 0.584 120.387 119.800 0.005 0.000 2.020 174 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 174 Q C 2.855 178.917 176.000 0.103 0.000 0.982 174 Q CA 1.461 57.286 55.803 0.037 0.000 0.838 174 Q CB -0.408 28.360 28.738 0.051 0.000 0.899 174 Q HN 0.557 nan 8.270 nan 0.000 0.423 175 A N 1.362 124.259 122.820 0.128 0.000 1.873 175 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 175 A C 2.095 179.874 177.584 0.326 0.000 1.193 175 A CA 1.423 53.580 52.037 0.200 0.000 0.629 175 A CB -0.967 18.130 19.000 0.163 0.000 0.826 175 A HN 0.330 nan 8.150 nan 0.000 0.447 176 L N -0.956 120.430 121.223 0.272 0.000 2.265 176 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 176 L C 2.784 179.896 176.870 0.404 0.000 1.117 176 L CA 0.745 55.781 54.840 0.326 0.000 0.782 176 L CB -0.396 41.872 42.059 0.348 0.000 0.914 176 L HN 0.489 nan 8.230 nan 0.000 0.441 177 A N -0.617 122.384 122.820 0.302 0.000 2.206 177 A HA -0.116 4.203 4.320 -0.000 0.000 0.211 177 A C 2.161 179.851 177.584 0.175 0.000 1.158 177 A CA 0.802 52.973 52.037 0.223 0.000 0.761 177 A CB -0.150 18.913 19.000 0.104 0.000 0.801 177 A HN 0.234 nan 8.150 nan 0.000 0.473 178 K N -1.284 119.237 120.400 0.202 0.000 2.296 178 K HA 0.164 4.484 4.320 -0.000 0.000 0.200 178 K C -0.452 176.034 176.600 -0.189 0.000 1.048 178 K CA 0.367 56.644 56.287 -0.016 0.000 0.966 178 K CB -0.014 32.424 32.500 -0.103 0.000 0.754 178 K HN 0.512 nan 8.250 nan 0.000 0.466 179 F N 1.054 121.041 119.950 0.062 0.000 2.457 179 F HA 0.200 4.726 4.527 -0.000 0.000 0.330 179 F C 0.612 176.443 175.800 0.052 0.000 1.069 179 F CA -1.274 56.755 58.000 0.048 0.000 1.009 179 F CB 0.817 39.840 39.000 0.038 0.000 1.276 179 F HN -0.028 nan 8.300 nan 0.000 0.492 180 D N -0.724 119.800 120.400 0.207 0.000 2.449 180 D HA 0.422 5.062 4.640 -0.000 0.000 0.250 180 D C 0.862 177.223 176.300 0.102 0.000 1.050 180 D CA -0.449 53.628 54.000 0.129 0.000 1.024 180 D CB 1.196 42.044 40.800 0.079 0.000 1.218 180 D HN 0.748 nan 8.370 nan 0.000 0.566 181 G N 0.044 108.892 108.800 0.080 0.000 2.196 181 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.268 181 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.268 181 G C 0.158 175.080 174.900 0.037 0.000 0.975 181 G CA 0.123 45.254 45.100 0.053 0.000 0.648 181 G HN 0.580 nan 8.290 nan 0.000 0.538 182 N N 0.494 119.222 118.700 0.047 0.000 2.492 182 N HA 0.327 5.067 4.740 -0.000 0.000 0.260 182 N C 0.422 175.902 175.510 -0.050 0.000 1.215 182 N CA 0.324 53.344 53.050 -0.051 0.000 0.923 182 N CB 0.466 38.927 38.487 -0.043 0.000 1.092 182 N HN 0.376 nan 8.380 nan 0.000 0.448 183 R N 1.665 122.057 120.500 -0.180 0.000 2.494 183 R HA 0.399 4.738 4.340 -0.000 0.000 0.305 183 R C -0.933 174.968 176.300 -0.665 0.000 0.959 183 R CA -0.555 55.404 56.100 -0.235 0.000 0.864 183 R CB 0.945 31.150 30.300 -0.158 0.000 1.159 183 R HN 0.394 nan 8.270 nan 0.000 0.446 184 F N 2.507 122.185 119.950 -0.453 0.000 2.480 184 F HA 0.417 4.944 4.527 -0.000 0.000 0.329 184 F C -0.472 174.764 175.800 -0.939 0.000 1.091 184 F CA -0.552 57.041 58.000 -0.678 0.000 0.972 184 F CB 1.401 40.030 39.000 -0.618 0.000 1.150 184 F HN 0.374 nan 8.300 nan 0.000 0.467 185 Y N 2.675 122.825 120.300 -0.249 0.000 2.331 185 Y HA 0.497 5.046 4.550 -0.000 0.000 0.334 185 Y C -1.109 174.667 175.900 -0.206 0.000 0.960 185 Y CA -1.064 56.943 58.100 -0.156 0.000 1.130 185 Y CB 0.965 39.349 38.460 -0.127 0.000 1.164 185 Y HN 0.309 nan 8.280 nan 0.000 0.458 186 F N 4.408 124.601 119.950 0.404 0.000 2.325 186 F HA 0.461 4.988 4.527 -0.000 0.000 0.369 186 F C -0.140 175.808 175.800 0.247 0.000 1.095 186 F CA -1.255 56.891 58.000 0.243 0.000 1.082 186 F CB 0.650 39.727 39.000 0.128 0.000 1.289 186 F HN 0.354 nan 8.300 nan 0.000 0.462 187 I N 3.884 124.672 120.570 0.363 0.000 2.377 187 I HA 0.615 4.784 4.170 -0.000 0.000 0.282 187 I C -0.082 176.123 176.117 0.147 0.000 1.091 187 I CA -0.322 61.179 61.300 0.335 0.000 1.207 187 I CB 0.308 38.515 38.000 0.344 0.000 1.429 187 I HN 0.617 nan 8.210 nan 0.000 0.491 188 A N 7.907 130.730 122.820 0.006 0.000 2.498 188 A HA 0.898 5.218 4.320 -0.000 0.000 0.298 188 A C -2.822 174.537 177.584 -0.375 0.000 1.075 188 A CA -1.435 50.372 52.037 -0.384 0.000 0.714 188 A CB 1.727 20.609 19.000 -0.197 0.000 1.299 188 A HN 0.303 nan 8.150 nan 0.000 0.407 189 P HA 0.212 nan 4.420 nan 0.000 0.281 189 P C -0.483 176.762 177.300 -0.091 0.000 1.252 189 P CA 0.041 63.022 63.100 -0.199 0.000 0.778 189 P CB 0.730 32.309 31.700 -0.201 0.000 0.895 190 D N 3.174 123.570 120.400 -0.006 0.000 2.170 190 D HA -0.265 4.375 4.640 -0.000 0.000 0.193 190 D C 1.800 178.082 176.300 -0.030 0.000 1.004 190 D CA 1.921 55.916 54.000 -0.008 0.000 0.860 190 D CB -0.831 39.983 40.800 0.024 0.000 0.931 190 D HN 0.417 nan 8.370 nan 0.000 0.448 191 A N -0.243 122.568 122.820 -0.015 0.000 2.121 191 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 191 A C 1.461 179.010 177.584 -0.059 0.000 1.154 191 A CA 0.563 52.593 52.037 -0.011 0.000 0.679 191 A CB -0.181 18.838 19.000 0.032 0.000 0.795 191 A HN 0.311 nan 8.150 nan 0.000 0.458 192 L N -0.051 121.112 121.223 -0.101 0.000 3.083 192 L HA 0.400 4.740 4.340 -0.000 0.000 0.286 192 L C 0.355 177.108 176.870 -0.195 0.000 1.307 192 L CA -0.512 54.228 54.840 -0.167 0.000 0.897 192 L CB 0.498 42.482 42.059 -0.125 0.000 1.306 192 L HN 0.313 nan 8.230 nan 0.000 0.569 193 A N 0.549 123.258 122.820 -0.185 0.000 2.286 193 A HA 0.548 4.868 4.320 -0.000 0.000 0.286 193 A C 0.002 177.428 177.584 -0.263 0.000 1.097 193 A CA -0.534 51.392 52.037 -0.185 0.000 0.821 193 A CB 0.699 19.617 19.000 -0.136 0.000 1.076 193 A HN 0.332 nan 8.150 nan 0.000 0.490 194 M N 2.153 121.546 119.600 -0.344 0.000 2.390 194 M HA 0.221 4.701 4.480 -0.000 0.000 0.353 194 M C -2.252 173.718 176.300 -0.549 0.000 1.623 194 M CA -1.882 53.091 55.300 -0.545 0.000 1.065 194 M CB -0.453 31.531 32.600 -1.026 0.000 2.025 194 M HN 0.275 nan 8.290 nan 0.000 0.461 195 P HA -0.021 nan 4.420 nan 0.000 0.265 195 P C 0.061 176.970 177.300 -0.651 0.000 1.187 195 P CA -0.011 62.739 63.100 -0.584 0.000 0.766 195 P CB 0.531 31.758 31.700 -0.788 0.000 0.820 196 Q N 3.404 122.971 119.800 -0.389 0.000 2.062 196 Q HA -0.244 4.096 4.340 -0.000 0.000 0.209 196 Q C 1.879 177.716 176.000 -0.272 0.000 0.996 196 Q CA 2.289 57.936 55.803 -0.259 0.000 0.859 196 Q CB -1.291 27.388 28.738 -0.099 0.000 0.920 196 Q HN 0.657 nan 8.270 nan 0.000 0.415 197 Y N -1.431 118.745 120.300 -0.206 0.000 2.128 197 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 197 Y C 1.966 177.732 175.900 -0.223 0.000 1.154 197 Y CA 0.963 58.956 58.100 -0.179 0.000 1.149 197 Y CB -0.861 37.502 38.460 -0.160 0.000 0.976 197 Y HN 0.031 nan 8.280 nan 0.000 0.505 198 I N 1.241 121.300 120.570 -0.852 0.000 2.151 198 I HA -0.309 3.860 4.170 -0.000 0.000 0.243 198 I C 2.522 178.316 176.117 -0.538 0.000 1.080 198 I CA 1.657 62.563 61.300 -0.657 0.000 1.339 198 I CB -1.220 36.232 38.000 -0.914 0.000 1.039 198 I HN 0.432 nan 8.210 nan 0.000 0.409 199 L N -0.002 120.843 121.223 -0.630 0.000 2.131 199 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 199 L C 2.126 178.874 176.870 -0.202 0.000 1.092 199 L CA 1.175 55.644 54.840 -0.619 0.000 0.759 199 L CB -0.552 41.159 42.059 -0.580 0.000 0.903 199 L HN 0.257 nan 8.230 nan 0.000 0.435 200 D N -0.429 119.894 120.400 -0.127 0.000 2.120 200 D HA -0.182 4.458 4.640 -0.000 0.000 0.202 200 D C 2.148 178.459 176.300 0.017 0.000 0.972 200 D CA 0.925 54.927 54.000 0.004 0.000 0.837 200 D CB -0.135 40.673 40.800 0.013 0.000 0.989 200 D HN 0.221 nan 8.370 nan 0.000 0.469 201 M N 0.690 120.277 119.600 -0.022 0.000 2.195 201 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 201 M C 1.674 177.985 176.300 0.019 0.000 1.066 201 M CA 1.201 56.499 55.300 -0.003 0.000 1.089 201 M CB -0.122 32.466 32.600 -0.020 0.000 1.377 201 M HN -0.002 nan 8.290 nan 0.000 0.411 202 L N -0.229 120.990 121.223 -0.006 0.000 1.988 202 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 202 L C 2.226 179.250 176.870 0.258 0.000 1.071 202 L CA 1.473 56.382 54.840 0.114 0.000 0.744 202 L CB -1.377 40.694 42.059 0.020 0.000 0.893 202 L HN 0.251 nan 8.230 nan 0.000 0.433 203 D N -0.018 120.585 120.400 0.339 0.000 2.158 203 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 203 D C 2.071 178.456 176.300 0.140 0.000 0.995 203 D CA 1.327 55.483 54.000 0.261 0.000 0.846 203 D CB 0.013 40.958 40.800 0.240 0.000 0.941 203 D HN 0.379 nan 8.370 nan 0.000 0.456 204 E N 0.331 120.596 120.200 0.109 0.000 2.072 204 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 204 E C 1.673 178.312 176.600 0.066 0.000 0.982 204 E CA 0.777 57.219 56.400 0.070 0.000 0.803 204 E CB 0.162 29.893 29.700 0.052 0.000 0.755 204 E HN -0.004 nan 8.360 nan 0.000 0.453 205 K N -1.117 119.329 120.400 0.077 0.000 2.418 205 K HA 0.021 4.341 4.320 -0.000 0.000 0.195 205 K C 0.757 177.407 176.600 0.084 0.000 1.035 205 K CA 0.703 57.033 56.287 0.072 0.000 1.003 205 K CB 0.465 33.009 32.500 0.073 0.000 0.793 205 K HN 0.310 nan 8.250 nan 0.000 0.494 206 G N 0.676 109.536 108.800 0.100 0.000 2.132 206 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.234 206 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.234 206 G C -0.120 174.853 174.900 0.122 0.000 0.989 206 G CA -0.086 45.070 45.100 0.094 0.000 0.676 206 G HN 0.159 nan 8.290 nan 0.000 0.522 207 I N 1.628 122.309 120.570 0.186 0.000 2.441 207 I HA 0.556 4.726 4.170 -0.000 0.000 0.287 207 I C 0.988 177.296 176.117 0.318 0.000 1.049 207 I CA 0.312 61.764 61.300 0.253 0.000 1.381 207 I CB 1.494 39.678 38.000 0.307 0.000 1.409 207 I HN 0.369 nan 8.210 nan 0.000 0.523 208 A N 8.147 131.098 122.820 0.220 0.000 2.331 208 A HA 0.721 5.041 4.320 -0.000 0.000 0.283 208 A C -0.810 176.908 177.584 0.223 0.000 1.142 208 A CA -0.278 51.815 52.037 0.093 0.000 0.812 208 A CB 0.400 19.404 19.000 0.007 0.000 1.074 208 A HN 0.827 nan 8.150 nan 0.000 0.497 209 W N 0.242 121.566 121.300 0.040 0.000 3.059 209 W HA 0.626 5.286 4.660 -0.000 0.000 0.329 209 W C -1.066 175.497 176.519 0.074 0.000 1.246 209 W CA -0.195 57.152 57.345 0.002 0.000 1.190 209 W CB 0.657 30.182 29.460 0.108 0.000 1.423 209 W HN 1.338 nan 8.180 nan 0.000 0.571 210 S N 0.650 116.587 115.700 0.395 0.000 2.537 210 S HA 0.712 5.182 4.470 -0.000 0.000 0.271 210 S C -1.167 173.751 174.600 0.529 0.000 1.148 210 S CA -0.985 57.397 58.200 0.303 0.000 0.868 210 S CB 1.558 64.855 63.200 0.161 0.000 1.115 210 S HN 0.593 nan 8.310 nan 0.000 0.461 211 L N 2.803 124.255 121.223 0.383 0.000 2.399 211 L HA 0.670 5.009 4.340 -0.000 0.000 0.266 211 L C 0.457 177.378 176.870 0.086 0.000 1.114 211 L CA -0.588 54.470 54.840 0.362 0.000 0.804 211 L CB 0.406 42.642 42.059 0.294 0.000 1.146 211 L HN 0.685 nan 8.230 nan 0.000 0.451 212 H N -0.092 119.118 119.070 0.235 0.000 2.980 212 H HA 0.307 4.863 4.556 -0.000 0.000 0.367 212 H C -0.323 175.119 175.328 0.190 0.000 1.206 212 H CA -0.572 55.576 56.048 0.168 0.000 1.126 212 H CB 2.380 32.217 29.762 0.125 0.000 1.838 212 H HN 0.635 nan 8.280 nan 0.000 0.552 213 S N 0.366 116.219 115.700 0.256 0.000 2.514 213 S HA -0.003 4.467 4.470 -0.000 0.000 0.223 213 S C 0.847 175.519 174.600 0.120 0.000 1.046 213 S CA -0.048 58.279 58.200 0.212 0.000 0.914 213 S CB 0.553 63.823 63.200 0.115 0.000 0.807 213 S HN 0.538 nan 8.310 nan 0.000 0.497 214 S N 0.475 116.237 115.700 0.102 0.000 2.473 214 S HA 0.538 5.008 4.470 -0.000 0.000 0.307 214 S C 0.731 175.336 174.600 0.008 0.000 1.094 214 S CA -0.715 57.489 58.200 0.006 0.000 1.070 214 S CB 0.803 63.994 63.200 -0.014 0.000 1.019 214 S HN 0.121 nan 8.310 nan 0.000 0.480 215 I N 3.644 124.203 120.570 -0.019 0.000 2.127 215 I HA -0.163 4.007 4.170 -0.000 0.000 0.241 215 I C 2.734 178.787 176.117 -0.107 0.000 1.075 215 I CA 1.952 63.224 61.300 -0.048 0.000 1.334 215 I CB -0.344 37.639 38.000 -0.029 0.000 1.040 215 I HN 0.977 nan 8.210 nan 0.000 0.405 216 E N 1.222 121.371 120.200 -0.085 0.000 2.114 216 E HA -0.371 3.979 4.350 -0.000 0.000 0.199 216 E C 2.024 178.559 176.600 -0.109 0.000 1.008 216 E CA 1.990 58.334 56.400 -0.092 0.000 0.810 216 E CB -0.376 29.293 29.700 -0.053 0.000 0.739 216 E HN 0.593 nan 8.360 nan 0.000 0.456 217 E N -0.343 119.806 120.200 -0.085 0.000 2.147 217 E HA -0.189 4.161 4.350 -0.000 0.000 0.199 217 E C 1.604 178.087 176.600 -0.195 0.000 1.005 217 E CA 1.569 57.927 56.400 -0.070 0.000 0.810 217 E CB 0.173 29.900 29.700 0.046 0.000 0.736 217 E HN 0.250 nan 8.360 nan 0.000 0.460 218 V N -0.094 119.623 119.914 -0.328 0.000 3.330 218 V HA 0.043 4.163 4.120 -0.000 0.000 0.309 218 V C 1.020 176.851 176.094 -0.438 0.000 1.481 218 V CA 0.089 62.059 62.300 -0.549 0.000 1.068 218 V CB 0.520 31.734 31.823 -1.015 0.000 0.935 218 V HN 0.239 nan 8.190 nan 0.000 0.453 219 M N 2.015 121.444 119.600 -0.286 0.000 2.082 219 M HA -0.050 4.430 4.480 -0.000 0.000 0.258 219 M C 2.013 178.182 176.300 -0.217 0.000 1.071 219 M CA 2.833 57.992 55.300 -0.235 0.000 1.103 219 M CB -0.822 31.648 32.600 -0.216 0.000 1.307 219 M HN 0.341 nan 8.290 nan 0.000 0.409 220 A N -0.755 121.944 122.820 -0.201 0.000 2.272 220 A HA -0.121 4.199 4.320 -0.000 0.000 0.213 220 A C 1.732 179.249 177.584 -0.113 0.000 1.183 220 A CA 1.722 53.669 52.037 -0.150 0.000 0.719 220 A CB -0.712 18.210 19.000 -0.131 0.000 0.771 220 A HN 0.688 nan 8.150 nan 0.000 0.484 221 E N -0.861 119.252 120.200 -0.146 0.000 2.514 221 E HA 0.108 4.458 4.350 -0.000 0.000 0.215 221 E C 0.450 177.080 176.600 0.051 0.000 0.946 221 E CA 0.411 56.775 56.400 -0.060 0.000 1.038 221 E CB 0.405 30.008 29.700 -0.162 0.000 1.069 221 E HN 0.489 nan 8.360 nan 0.000 0.503 222 V N 0.272 120.166 119.914 -0.032 0.000 2.583 222 V HA 0.210 4.330 4.120 -0.000 0.000 0.287 222 V C 0.640 176.758 176.094 0.040 0.000 1.051 222 V CA -0.168 62.169 62.300 0.062 0.000 1.010 222 V CB 1.403 33.220 31.823 -0.009 0.000 0.988 222 V HN -0.119 nan 8.190 nan 0.000 0.478 223 D N 3.554 123.985 120.400 0.051 0.000 2.259 223 D HA 0.178 4.818 4.640 -0.000 0.000 0.216 223 D C 0.408 176.698 176.300 -0.017 0.000 0.961 223 D CA 1.047 55.039 54.000 -0.015 0.000 0.878 223 D CB 0.535 41.294 40.800 -0.068 0.000 1.009 223 D HN 0.450 nan 8.370 nan 0.000 0.490 224 I N 1.858 122.430 120.570 0.003 0.000 2.406 224 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 224 I C -0.503 175.663 176.117 0.081 0.000 0.999 224 I CA -0.877 60.443 61.300 0.033 0.000 1.124 224 I CB 1.975 39.991 38.000 0.026 0.000 1.289 224 I HN -0.138 nan 8.210 nan 0.000 0.441 225 L N 8.515 129.798 121.223 0.099 0.000 2.313 225 L HA 0.373 4.713 4.340 -0.000 0.000 0.273 225 L C -1.262 175.696 176.870 0.147 0.000 1.028 225 L CA -0.540 54.366 54.840 0.111 0.000 0.871 225 L CB 0.475 42.572 42.059 0.063 0.000 1.242 225 L HN 0.385 nan 8.230 nan 0.000 0.434 226 Y N 5.506 125.844 120.300 0.062 0.000 2.425 226 Y HA 0.479 5.029 4.550 -0.000 0.000 0.347 226 Y C -0.036 175.873 175.900 0.015 0.000 0.976 226 Y CA -0.387 57.743 58.100 0.049 0.000 1.190 226 Y CB 0.664 39.159 38.460 0.059 0.000 1.136 226 Y HN 0.458 nan 8.280 nan 0.000 0.517 227 M N 4.824 124.290 119.600 -0.223 0.000 2.277 227 M HA 0.300 4.780 4.480 -0.000 0.000 0.350 227 M C 0.158 176.152 176.300 -0.510 0.000 1.180 227 M CA -0.325 54.846 55.300 -0.215 0.000 1.103 227 M CB 1.433 33.974 32.600 -0.099 0.000 1.577 227 M HN 0.678 nan 8.290 nan 0.000 0.459 228 T N 0.274 114.658 114.554 -0.283 0.000 2.916 228 T HA 0.600 4.950 4.350 -0.000 0.000 0.292 228 T C -0.452 174.181 174.700 -0.111 0.000 1.055 228 T CA -1.039 60.902 62.100 -0.265 0.000 1.009 228 T CB 2.398 71.232 68.868 -0.057 0.000 1.118 228 T HN 0.765 nan 8.240 nan 0.000 0.497 229 R N 1.289 121.780 120.500 -0.015 0.000 2.390 229 R HA 0.522 4.861 4.340 -0.000 0.000 0.291 229 R C -0.628 175.738 176.300 0.110 0.000 1.070 229 R CA -0.557 55.612 56.100 0.116 0.000 1.014 229 R CB 0.635 31.023 30.300 0.146 0.000 1.007 229 R HN 0.575 nan 8.270 nan 0.000 0.466 230 V N 5.528 125.538 119.914 0.160 0.000 2.169 230 V HA 0.073 4.192 4.120 -0.000 0.000 0.271 230 V C -0.337 175.926 176.094 0.282 0.000 1.372 230 V CA -0.534 61.887 62.300 0.202 0.000 1.348 230 V CB 0.224 32.166 31.823 0.198 0.000 1.379 230 V HN 0.834 nan 8.190 nan 0.000 0.491 231 Q N 2.369 122.267 119.800 0.163 0.000 2.858 231 Q HA -0.141 4.199 4.340 -0.000 0.000 0.326 231 Q C 1.726 177.753 176.000 0.044 0.000 1.176 231 Q CA 0.398 56.251 55.803 0.083 0.000 1.124 231 Q CB -0.043 28.729 28.738 0.056 0.000 1.044 231 Q HN 0.624 nan 8.270 nan 0.000 0.423 232 K N 3.121 123.431 120.400 -0.149 0.000 2.144 232 K HA -0.330 3.990 4.320 -0.000 0.000 0.209 232 K C 0.624 177.125 176.600 -0.165 0.000 1.047 232 K CA 2.144 58.148 56.287 -0.472 0.000 0.927 232 K CB 0.216 32.050 32.500 -1.109 0.000 0.716 232 K HN 0.597 nan 8.250 nan 0.000 0.454 233 E N 0.449 120.577 120.200 -0.120 0.000 2.187 233 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 233 E C 1.900 178.484 176.600 -0.027 0.000 1.004 233 E CA 1.388 57.748 56.400 -0.066 0.000 0.813 233 E CB -0.247 29.419 29.700 -0.058 0.000 0.736 233 E HN 0.244 nan 8.360 nan 0.000 0.468 234 R N -0.107 120.397 120.500 0.007 0.000 2.341 234 R HA 0.023 4.363 4.340 -0.000 0.000 0.213 234 R C -0.374 175.982 176.300 0.094 0.000 1.082 234 R CA 0.681 56.812 56.100 0.050 0.000 1.017 234 R CB -0.309 30.073 30.300 0.136 0.000 0.860 234 R HN 0.180 nan 8.270 nan 0.000 0.473 235 L N -5.631 115.642 121.223 0.083 0.000 3.064 235 L HA 0.370 4.710 4.340 -0.000 0.000 0.282 235 L C -0.969 175.948 176.870 0.079 0.000 1.045 235 L CA -1.495 53.405 54.840 0.100 0.000 0.986 235 L CB 0.221 42.369 42.059 0.149 0.000 1.571 235 L HN -0.391 nan 8.230 nan 0.000 0.377 236 D N 1.322 121.774 120.400 0.088 0.000 2.520 236 D HA 0.165 4.805 4.640 -0.000 0.000 0.243 236 D C -1.723 174.640 176.300 0.106 0.000 1.160 236 D CA -0.766 53.280 54.000 0.077 0.000 0.877 236 D CB 1.029 41.874 40.800 0.076 0.000 1.150 236 D HN 0.368 nan 8.370 nan 0.000 0.494 237 P HA -0.069 nan 4.420 nan 0.000 0.226 237 P C 0.592 177.966 177.300 0.123 0.000 1.146 237 P CA 0.783 63.915 63.100 0.054 0.000 0.773 237 P CB 0.398 32.100 31.700 0.003 0.000 0.772 238 S N -1.126 114.639 115.700 0.108 0.000 2.468 238 S HA -0.036 4.434 4.470 -0.000 0.000 0.226 238 S C 1.789 176.456 174.600 0.112 0.000 1.051 238 S CA 0.195 58.455 58.200 0.100 0.000 0.943 238 S CB -0.421 62.818 63.200 0.066 0.000 0.810 238 S HN 0.253 nan 8.310 nan 0.000 0.509 239 E N 0.387 120.658 120.200 0.118 0.000 2.285 239 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 239 E C 1.606 178.292 176.600 0.143 0.000 0.997 239 E CA 0.551 57.017 56.400 0.110 0.000 0.845 239 E CB -0.113 29.645 29.700 0.096 0.000 0.782 239 E HN 0.639 nan 8.360 nan 0.000 0.491 240 Y N 1.120 121.453 120.300 0.055 0.000 2.089 240 Y HA -0.183 4.367 4.550 -0.000 0.000 0.282 240 Y C 2.359 178.301 175.900 0.070 0.000 1.139 240 Y CA 2.318 60.457 58.100 0.065 0.000 1.123 240 Y CB -0.618 37.875 38.460 0.055 0.000 0.980 240 Y HN 0.092 nan 8.280 nan 0.000 0.493 241 A N 0.844 123.777 122.820 0.189 0.000 1.927 241 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 241 A C 2.096 179.678 177.584 -0.004 0.000 1.185 241 A CA 2.159 54.245 52.037 0.082 0.000 0.639 241 A CB -1.001 18.081 19.000 0.137 0.000 0.820 241 A HN 0.665 nan 8.150 nan 0.000 0.451 242 N N -0.208 118.506 118.700 0.023 0.000 2.166 242 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 242 N C 1.746 177.253 175.510 -0.004 0.000 1.019 242 N CA 2.047 55.106 53.050 0.015 0.000 0.856 242 N CB -0.231 38.278 38.487 0.036 0.000 0.993 242 N HN 0.484 nan 8.380 nan 0.000 0.426 243 V N 0.124 120.030 119.914 -0.013 0.000 2.581 243 V HA -0.017 4.103 4.120 -0.000 0.000 0.240 243 V C 2.249 178.341 176.094 -0.003 0.000 1.054 243 V CA 1.089 63.411 62.300 0.037 0.000 1.076 243 V CB -0.772 31.127 31.823 0.127 0.000 0.748 243 V HN 0.145 nan 8.190 nan 0.000 0.474 244 K N 3.386 123.689 120.400 -0.162 0.000 2.184 244 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 244 K C 1.827 178.370 176.600 -0.095 0.000 1.048 244 K CA 2.597 58.749 56.287 -0.225 0.000 0.931 244 K CB -0.936 31.246 32.500 -0.529 0.000 0.718 244 K HN 0.488 nan 8.250 nan 0.000 0.465 245 A N 0.305 123.064 122.820 -0.101 0.000 2.216 245 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 245 A C 1.605 179.086 177.584 -0.172 0.000 1.160 245 A CA 1.310 53.288 52.037 -0.098 0.000 0.725 245 A CB -0.335 18.621 19.000 -0.074 0.000 0.784 245 A HN 0.655 nan 8.150 nan 0.000 0.472 246 Q N -2.001 117.613 119.800 -0.310 0.000 2.396 246 Q HA 0.222 4.562 4.340 -0.000 0.000 0.209 246 Q C -0.457 175.021 176.000 -0.870 0.000 0.906 246 Q CA 0.378 55.781 55.803 -0.666 0.000 0.927 246 Q CB 0.293 28.417 28.738 -1.023 0.000 1.069 246 Q HN 0.660 nan 8.270 nan 0.000 0.523 247 F N 0.373 120.307 119.950 -0.028 0.000 2.761 247 F HA 0.370 4.897 4.527 -0.000 0.000 0.367 247 F C -0.639 175.155 175.800 -0.010 0.000 1.386 247 F CA -0.704 57.289 58.000 -0.011 0.000 1.177 247 F CB 1.059 40.054 39.000 -0.007 0.000 1.092 247 F HN -0.286 nan 8.300 nan 0.000 0.517 248 V N 2.240 122.192 119.914 0.063 0.000 2.577 248 V HA 0.401 4.521 4.120 -0.000 0.000 0.303 248 V C -0.894 175.215 176.094 0.025 0.000 1.042 248 V CA -0.816 61.512 62.300 0.047 0.000 0.872 248 V CB 2.524 34.361 31.823 0.024 0.000 0.998 248 V HN 0.140 nan 8.190 nan 0.000 0.423 249 L N 6.725 127.970 121.223 0.037 0.000 2.255 249 L HA 0.585 4.924 4.340 -0.000 0.000 0.289 249 L C 0.038 176.928 176.870 0.034 0.000 1.046 249 L CA 0.255 55.115 54.840 0.032 0.000 0.816 249 L CB 0.576 42.661 42.059 0.043 0.000 1.197 249 L HN 0.558 nan 8.230 nan 0.000 0.427 250 R N 3.284 123.802 120.500 0.030 0.000 2.604 250 R HA 0.562 4.902 4.340 -0.000 0.000 0.287 250 R C 1.138 177.467 176.300 0.048 0.000 0.970 250 R CA 0.047 56.170 56.100 0.038 0.000 0.946 250 R CB 1.819 32.136 30.300 0.028 0.000 1.127 250 R HN 0.880 nan 8.270 nan 0.000 0.473 251 A N 1.615 124.472 122.820 0.061 0.000 1.929 251 A HA -0.310 4.010 4.320 -0.000 0.000 0.221 251 A C 2.060 179.688 177.584 0.072 0.000 1.211 251 A CA 2.782 54.864 52.037 0.075 0.000 0.657 251 A CB -0.892 18.153 19.000 0.074 0.000 0.827 251 A HN 0.879 nan 8.150 nan 0.000 0.462 252 S N -0.146 115.592 115.700 0.063 0.000 2.400 252 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 252 S C 1.294 175.961 174.600 0.112 0.000 1.025 252 S CA 1.587 59.831 58.200 0.074 0.000 0.993 252 S CB -0.665 62.562 63.200 0.044 0.000 0.808 252 S HN 0.537 nan 8.310 nan 0.000 0.478 253 D N 1.462 121.902 120.400 0.066 0.000 2.351 253 D HA 0.067 4.707 4.640 -0.000 0.000 0.216 253 D C 1.352 177.644 176.300 -0.014 0.000 0.968 253 D CA 0.611 54.635 54.000 0.039 0.000 0.899 253 D CB -0.242 40.562 40.800 0.006 0.000 0.907 253 D HN 0.460 nan 8.370 nan 0.000 0.514 254 L N -0.420 120.797 121.223 -0.011 0.000 2.585 254 L HA 0.076 4.416 4.340 -0.000 0.000 0.226 254 L C 1.675 178.462 176.870 -0.139 0.000 1.113 254 L CA -0.005 54.761 54.840 -0.123 0.000 0.876 254 L CB -0.305 41.671 42.059 -0.138 0.000 1.072 254 L HN 0.080 nan 8.230 nan 0.000 0.468 255 H N -0.158 118.887 119.070 -0.040 0.000 2.538 255 H HA -0.133 4.423 4.556 -0.000 0.000 0.294 255 H C 1.163 176.478 175.328 -0.022 0.000 1.083 255 H CA 1.689 57.728 56.048 -0.014 0.000 1.233 255 H CB -0.479 29.278 29.762 -0.007 0.000 1.360 255 H HN 0.429 nan 8.280 nan 0.000 0.571 256 N N 0.258 118.625 118.700 -0.555 0.000 2.177 256 N HA 0.230 4.970 4.740 -0.000 0.000 0.218 256 N C -0.061 175.318 175.510 -0.219 0.000 1.182 256 N CA 0.323 53.152 53.050 -0.367 0.000 0.882 256 N CB 0.494 38.684 38.487 -0.495 0.000 1.052 256 N HN 0.423 nan 8.380 nan 0.000 0.519 257 A N 1.518 124.202 122.820 -0.226 0.000 2.440 257 A HA 0.223 4.543 4.320 -0.000 0.000 0.251 257 A C 0.526 178.067 177.584 -0.072 0.000 1.089 257 A CA -0.327 51.580 52.037 -0.217 0.000 0.779 257 A CB 0.474 19.209 19.000 -0.442 0.000 1.022 257 A HN 0.193 nan 8.150 nan 0.000 0.492 258 K N 0.957 121.336 120.400 -0.035 0.000 2.505 258 K HA 0.031 4.351 4.320 -0.000 0.000 0.272 258 K C 1.499 178.176 176.600 0.129 0.000 0.963 258 K CA 0.503 56.805 56.287 0.026 0.000 0.932 258 K CB 0.231 32.733 32.500 0.003 0.000 0.924 258 K HN 0.787 nan 8.250 nan 0.000 0.520 259 A N 2.283 125.142 122.820 0.065 0.000 1.873 259 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 259 A C 1.588 179.163 177.584 -0.015 0.000 1.186 259 A CA 1.814 53.870 52.037 0.031 0.000 0.616 259 A CB -0.562 18.427 19.000 -0.019 0.000 0.823 259 A HN 0.920 nan 8.150 nan 0.000 0.442 260 N N -0.764 117.918 118.700 -0.030 0.000 2.515 260 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 260 N C 0.740 176.219 175.510 -0.052 0.000 1.109 260 N CA 0.196 53.194 53.050 -0.086 0.000 0.903 260 N CB -0.339 38.091 38.487 -0.095 0.000 0.969 260 N HN 0.371 nan 8.380 nan 0.000 0.450 261 M N 1.764 121.403 119.600 0.066 0.000 2.284 261 M HA 0.034 4.514 4.480 -0.000 0.000 0.351 261 M C -0.637 175.772 176.300 0.182 0.000 1.443 261 M CA 0.600 55.956 55.300 0.093 0.000 1.031 261 M CB 0.318 32.935 32.600 0.029 0.000 1.893 261 M HN -0.131 nan 8.290 nan 0.000 0.456 262 K N 4.219 124.645 120.400 0.043 0.000 2.345 262 K HA 0.475 4.795 4.320 -0.000 0.000 0.255 262 K C -1.330 175.335 176.600 0.109 0.000 0.934 262 K CA -0.634 55.675 56.287 0.038 0.000 0.801 262 K CB 1.943 34.351 32.500 -0.153 0.000 1.137 262 K HN 0.504 nan 8.250 nan 0.000 0.424 263 V N 4.850 124.878 119.914 0.190 0.000 2.461 263 V HA 0.349 4.469 4.120 -0.000 0.000 0.275 263 V C 0.298 176.546 176.094 0.256 0.000 1.047 263 V CA -0.602 61.820 62.300 0.203 0.000 0.955 263 V CB 0.858 32.831 31.823 0.251 0.000 0.988 263 V HN 0.483 nan 8.190 nan 0.000 0.471 264 L N 4.783 126.092 121.223 0.143 0.000 2.333 264 L HA 0.711 5.051 4.340 -0.000 0.000 0.269 264 L C -0.734 176.031 176.870 -0.174 0.000 1.010 264 L CA -0.611 54.251 54.840 0.037 0.000 0.818 264 L CB 1.998 44.045 42.059 -0.020 0.000 1.306 264 L HN 0.669 nan 8.230 nan 0.000 0.430 265 H N 2.753 121.635 119.070 -0.312 0.000 3.163 265 H HA 0.184 4.740 4.556 -0.000 0.000 0.322 265 H C -2.511 172.669 175.328 -0.247 0.000 1.047 265 H CA -0.976 54.835 56.048 -0.396 0.000 1.418 265 H CB 2.616 32.132 29.762 -0.411 0.000 2.016 265 H HN 0.191 nan 8.280 nan 0.000 0.454 266 P HA -0.028 nan 4.420 nan 0.000 0.220 266 P C 0.027 177.452 177.300 0.208 0.000 1.148 266 P CA 0.595 63.751 63.100 0.092 0.000 0.803 266 P CB 0.353 32.097 31.700 0.073 0.000 0.782 267 L N -3.673 117.792 121.223 0.404 0.000 0.586 267 L HA -0.109 4.231 4.340 -0.000 0.000 0.356 267 L C -2.510 174.457 176.870 0.162 0.000 1.004 267 L CA -0.713 54.225 54.840 0.163 0.000 1.223 267 L CB -1.422 40.681 42.059 0.073 0.000 0.012 267 L HN 0.013 nan 8.230 nan 0.000 0.092 268 P HA 0.352 nan 4.420 nan 0.000 0.285 268 P C -0.618 176.655 177.300 -0.045 0.000 1.259 268 P CA -0.675 62.437 63.100 0.019 0.000 0.794 268 P CB 0.935 32.657 31.700 0.036 0.000 0.940 269 R N 1.629 121.912 120.500 -0.362 0.000 2.896 269 R HA 0.527 4.867 4.340 -0.000 0.000 0.258 269 R C 0.373 176.595 176.300 -0.130 0.000 1.240 269 R CA -0.539 55.295 56.100 -0.443 0.000 1.109 269 R CB -0.539 29.290 30.300 -0.785 0.000 1.081 269 R HN 0.282 nan 8.270 nan 0.000 0.562 270 V N -3.145 116.722 119.914 -0.079 0.000 4.671 270 V HA -0.026 4.094 4.120 -0.000 0.000 0.141 270 V C -0.312 175.791 176.094 0.015 0.000 1.346 270 V CA 0.701 62.996 62.300 -0.009 0.000 0.938 270 V CB 0.362 32.202 31.823 0.028 0.000 1.034 270 V HN 0.808 nan 8.190 nan 0.000 0.635 271 D N -0.512 119.918 120.400 0.050 0.000 2.457 271 D HA 0.142 4.782 4.640 -0.000 0.000 0.254 271 D C 1.821 178.156 176.300 0.058 0.000 1.097 271 D CA 0.829 54.870 54.000 0.069 0.000 0.870 271 D CB 0.474 41.351 40.800 0.128 0.000 1.253 271 D HN 0.768 nan 8.370 nan 0.000 0.500 272 E N 0.484 120.724 120.200 0.068 0.000 2.208 272 E HA -0.076 4.273 4.350 -0.000 0.000 0.193 272 E C 0.611 177.230 176.600 0.032 0.000 0.988 272 E CA 0.512 56.957 56.400 0.075 0.000 0.828 272 E CB 0.478 30.252 29.700 0.124 0.000 0.763 272 E HN 0.262 nan 8.360 nan 0.000 0.478 273 I N 1.831 122.378 120.570 -0.039 0.000 2.355 273 I HA 0.285 4.455 4.170 -0.000 0.000 0.288 273 I C -0.032 176.067 176.117 -0.030 0.000 0.999 273 I CA -0.778 60.483 61.300 -0.065 0.000 1.163 273 I CB 1.726 39.590 38.000 -0.227 0.000 1.316 273 I HN 0.004 nan 8.210 nan 0.000 0.454 274 A N 3.843 126.674 122.820 0.019 0.000 2.498 274 A HA 0.215 4.534 4.320 -0.000 0.000 0.239 274 A C 1.455 179.077 177.584 0.064 0.000 1.068 274 A CA 0.203 52.262 52.037 0.038 0.000 0.766 274 A CB 0.073 19.099 19.000 0.043 0.000 1.003 274 A HN 0.877 nan 8.150 nan 0.000 0.497 275 T N -0.849 113.746 114.554 0.068 0.000 2.977 275 T HA -0.146 4.203 4.350 -0.000 0.000 0.271 275 T C 0.745 175.509 174.700 0.108 0.000 1.105 275 T CA 1.536 63.696 62.100 0.101 0.000 1.116 275 T CB -0.635 68.283 68.868 0.083 0.000 0.878 275 T HN 0.789 nan 8.240 nan 0.000 0.509 276 D N 1.323 121.775 120.400 0.086 0.000 2.348 276 D HA -0.016 4.624 4.640 -0.000 0.000 0.216 276 D C 1.744 178.107 176.300 0.105 0.000 0.970 276 D CA 0.101 54.151 54.000 0.083 0.000 0.889 276 D CB -0.611 40.228 40.800 0.064 0.000 0.912 276 D HN 0.392 nan 8.370 nan 0.000 0.524 277 V N 1.257 121.251 119.914 0.132 0.000 2.548 277 V HA -0.194 3.925 4.120 -0.000 0.000 0.249 277 V C 1.620 177.825 176.094 0.185 0.000 1.055 277 V CA 1.667 64.069 62.300 0.169 0.000 1.065 277 V CB -0.473 31.470 31.823 0.200 0.000 0.681 277 V HN 0.111 nan 8.190 nan 0.000 0.462 278 D N 0.493 121.019 120.400 0.210 0.000 2.133 278 D HA -0.208 4.432 4.640 -0.000 0.000 0.195 278 D C 2.033 178.386 176.300 0.088 0.000 0.997 278 D CA 1.201 55.302 54.000 0.168 0.000 0.840 278 D CB -0.287 40.655 40.800 0.236 0.000 0.947 278 D HN 0.259 nan 8.370 nan 0.000 0.452 279 K N 0.180 120.634 120.400 0.090 0.000 2.515 279 K HA 0.003 4.322 4.320 -0.000 0.000 0.196 279 K C 0.719 177.355 176.600 0.060 0.000 1.038 279 K CA 0.229 56.553 56.287 0.062 0.000 0.967 279 K CB -0.291 32.244 32.500 0.059 0.000 0.780 279 K HN 0.362 nan 8.250 nan 0.000 0.483 280 T N -2.521 112.082 114.554 0.082 0.000 2.944 280 T HA 0.295 4.645 4.350 -0.000 0.000 0.284 280 T C -1.766 172.975 174.700 0.068 0.000 1.010 280 T CA -2.000 60.154 62.100 0.090 0.000 1.025 280 T CB 1.591 70.559 68.868 0.167 0.000 1.079 280 T HN -0.185 nan 8.240 nan 0.000 0.516 281 P HA -0.110 nan 4.420 nan 0.000 0.218 281 P C 1.250 178.574 177.300 0.040 0.000 1.149 281 P CA 1.260 64.358 63.100 -0.004 0.000 0.817 281 P CB -0.136 31.457 31.700 -0.179 0.000 0.785 282 H N 0.517 119.659 119.070 0.119 0.000 2.489 282 H HA 0.098 4.654 4.556 -0.000 0.000 0.293 282 H C 0.940 176.374 175.328 0.177 0.000 1.066 282 H CA 0.663 56.773 56.048 0.103 0.000 1.305 282 H CB -0.527 29.273 29.762 0.063 0.000 1.386 282 H HN 0.117 nan 8.280 nan 0.000 0.551 283 A N 0.958 123.915 122.820 0.228 0.000 2.515 283 A HA -0.032 4.288 4.320 -0.000 0.000 0.263 283 A C 0.264 177.837 177.584 -0.018 0.000 1.096 283 A CA 0.016 52.038 52.037 -0.025 0.000 0.769 283 A CB -0.480 18.383 19.000 -0.229 0.000 1.040 283 A HN 0.640 nan 8.150 nan 0.000 0.505 284 W N 3.792 124.878 121.300 -0.357 0.000 2.190 284 W HA 0.145 4.805 4.660 -0.000 0.000 0.337 284 W C -0.130 176.256 176.519 -0.221 0.000 0.911 284 W CA -0.156 57.044 57.345 -0.242 0.000 1.925 284 W CB 0.368 29.775 29.460 -0.088 0.000 1.134 284 W HN 1.083 nan 8.180 nan 0.000 0.536 285 Y N -2.206 117.988 120.300 -0.177 0.000 2.337 285 Y HA -0.034 4.516 4.550 -0.000 0.000 0.293 285 Y C 1.863 177.567 175.900 -0.327 0.000 1.123 285 Y CA 0.787 58.718 58.100 -0.281 0.000 1.201 285 Y CB -1.305 36.895 38.460 -0.434 0.000 1.011 285 Y HN -0.253 nan 8.280 nan 0.000 0.545 286 F N 1.112 120.963 119.950 -0.166 0.000 2.128 286 F HA -0.128 4.399 4.527 -0.000 0.000 0.295 286 F C 2.321 178.007 175.800 -0.190 0.000 1.100 286 F CA 0.997 58.914 58.000 -0.137 0.000 1.260 286 F CB -1.076 37.806 39.000 -0.197 0.000 1.009 286 F HN 0.010 nan 8.300 nan 0.000 0.476 287 Q N 0.313 119.964 119.800 -0.249 0.000 2.077 287 Q HA -0.273 4.066 4.340 -0.000 0.000 0.206 287 Q C 2.235 178.201 176.000 -0.057 0.000 0.989 287 Q CA 2.051 57.649 55.803 -0.342 0.000 0.853 287 Q CB -0.731 27.340 28.738 -1.112 0.000 0.907 287 Q HN 0.569 nan 8.270 nan 0.000 0.418 288 Q N -0.068 119.737 119.800 0.008 0.000 2.181 288 Q HA -0.208 4.132 4.340 -0.000 0.000 0.205 288 Q C 1.821 177.901 176.000 0.134 0.000 0.980 288 Q CA 1.479 57.373 55.803 0.151 0.000 0.862 288 Q CB -0.186 28.660 28.738 0.181 0.000 0.905 288 Q HN 0.402 nan 8.270 nan 0.000 0.429 289 A N 0.693 123.576 122.820 0.106 0.000 1.873 289 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 289 A C 2.352 179.980 177.584 0.073 0.000 1.186 289 A CA 1.414 53.514 52.037 0.105 0.000 0.616 289 A CB -1.338 17.748 19.000 0.145 0.000 0.823 289 A HN 0.594 nan 8.150 nan 0.000 0.442 290 G N -0.312 108.531 108.800 0.072 0.000 2.450 290 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.220 290 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.220 290 G C 1.367 176.307 174.900 0.067 0.000 1.130 290 G CA 1.081 46.206 45.100 0.042 0.000 0.760 290 G HN 0.699 nan 8.290 nan 0.000 0.557 291 N N 0.389 119.228 118.700 0.231 0.000 2.453 291 N HA -0.043 4.697 4.740 -0.000 0.000 0.183 291 N C 2.338 178.012 175.510 0.274 0.000 1.041 291 N CA 0.368 53.706 53.050 0.480 0.000 0.900 291 N CB -0.105 38.675 38.487 0.489 0.000 0.961 291 N HN 0.336 nan 8.380 nan 0.000 0.443 292 G N 1.588 110.440 108.800 0.087 0.000 2.475 292 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 292 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 292 G C 1.368 176.157 174.900 -0.186 0.000 1.125 292 G CA 0.436 45.519 45.100 -0.028 0.000 0.755 292 G HN 0.186 nan 8.290 nan 0.000 0.565 293 I N 0.339 120.693 120.570 -0.360 0.000 2.286 293 I HA -0.068 4.102 4.170 -0.000 0.000 0.248 293 I C 2.425 178.180 176.117 -0.604 0.000 1.115 293 I CA 0.978 61.937 61.300 -0.567 0.000 1.392 293 I CB -1.021 36.491 38.000 -0.814 0.000 1.065 293 I HN 0.150 nan 8.210 nan 0.000 0.418 294 F N 0.871 120.806 119.950 -0.025 0.000 2.270 294 F HA 0.115 4.642 4.527 -0.000 0.000 0.295 294 F C 2.614 178.287 175.800 -0.212 0.000 1.087 294 F CA 0.724 58.650 58.000 -0.122 0.000 1.365 294 F CB -1.398 37.496 39.000 -0.175 0.000 1.056 294 F HN -0.041 nan 8.300 nan 0.000 0.506 295 A N 1.260 124.046 122.820 -0.057 0.000 1.903 295 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 295 A C 2.343 179.865 177.584 -0.104 0.000 1.191 295 A CA 2.208 54.191 52.037 -0.090 0.000 0.638 295 A CB -0.750 18.246 19.000 -0.006 0.000 0.823 295 A HN 0.388 nan 8.150 nan 0.000 0.451 296 R N -1.217 119.179 120.500 -0.175 0.000 2.119 296 R HA -0.022 4.318 4.340 -0.000 0.000 0.222 296 R C 2.408 178.662 176.300 -0.077 0.000 1.088 296 R CA 1.075 57.041 56.100 -0.224 0.000 0.984 296 R CB -0.318 29.667 30.300 -0.525 0.000 0.884 296 R HN 0.685 nan 8.270 nan 0.000 0.447 297 Q N 0.781 120.541 119.800 -0.066 0.000 2.046 297 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 297 Q C 2.284 178.296 176.000 0.021 0.000 0.975 297 Q CA 1.536 57.341 55.803 0.003 0.000 0.836 297 Q CB -0.151 28.608 28.738 0.034 0.000 0.896 297 Q HN 0.350 nan 8.270 nan 0.000 0.428 298 A N 0.895 123.715 122.820 -0.000 0.000 1.869 298 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 298 A C 2.010 179.607 177.584 0.020 0.000 1.203 298 A CA 1.631 53.664 52.037 -0.007 0.000 0.638 298 A CB -1.019 17.946 19.000 -0.059 0.000 0.831 298 A HN 0.354 nan 8.150 nan 0.000 0.450 299 L N -0.472 120.766 121.223 0.026 0.000 1.971 299 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 299 L C 2.590 179.508 176.870 0.080 0.000 1.072 299 L CA 1.956 56.833 54.840 0.061 0.000 0.758 299 L CB -0.611 41.500 42.059 0.087 0.000 0.889 299 L HN 0.473 nan 8.230 nan 0.000 0.433 300 L N -1.421 119.860 121.223 0.096 0.000 2.013 300 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 300 L C 2.586 179.502 176.870 0.076 0.000 1.073 300 L CA 1.453 56.352 54.840 0.098 0.000 0.753 300 L CB -0.798 41.325 42.059 0.108 0.000 0.890 300 L HN 0.411 nan 8.230 nan 0.000 0.432 301 A N 0.069 122.929 122.820 0.067 0.000 1.858 301 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 301 A C 2.184 179.818 177.584 0.083 0.000 1.190 301 A CA 1.575 53.651 52.037 0.065 0.000 0.617 301 A CB -0.792 18.238 19.000 0.050 0.000 0.827 301 A HN 0.380 nan 8.150 nan 0.000 0.443 302 L N -0.615 120.654 121.223 0.077 0.000 2.083 302 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 302 L C 2.452 179.402 176.870 0.134 0.000 1.083 302 L CA 0.896 55.794 54.840 0.097 0.000 0.752 302 L CB -0.534 41.567 42.059 0.071 0.000 0.899 302 L HN 0.247 nan 8.230 nan 0.000 0.433 303 V N -0.174 119.787 119.914 0.079 0.000 2.488 303 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 303 V C 2.162 178.233 176.094 -0.038 0.000 1.046 303 V CA 1.266 63.565 62.300 -0.001 0.000 1.053 303 V CB -0.026 31.778 31.823 -0.032 0.000 0.679 303 V HN 0.352 nan 8.190 nan 0.000 0.458 304 L N -0.616 120.649 121.223 0.070 0.000 2.446 304 L HA 0.153 4.492 4.340 -0.000 0.000 0.219 304 L C 0.250 177.303 176.870 0.305 0.000 1.116 304 L CA 0.433 55.340 54.840 0.112 0.000 0.844 304 L CB -0.108 41.998 42.059 0.079 0.000 0.970 304 L HN 0.326 nan 8.230 nan 0.000 0.457 305 N N -0.154 118.731 118.700 0.308 0.000 2.518 305 N HA 0.219 4.959 4.740 -0.000 0.000 0.254 305 N C 0.782 176.341 175.510 0.081 0.000 0.979 305 N CA -0.267 52.902 53.050 0.198 0.000 0.930 305 N CB 1.271 39.812 38.487 0.091 0.000 1.152 305 N HN -0.090 nan 8.380 nan 0.000 0.505 306 R N 0.942 121.219 120.500 -0.371 0.000 2.154 306 R HA -0.128 4.212 4.340 -0.000 0.000 0.236 306 R C -0.307 175.798 176.300 -0.326 0.000 1.121 306 R CA 1.477 57.042 56.100 -0.892 0.000 0.915 306 R CB 0.053 29.875 30.300 -0.796 0.000 0.856 306 R HN 0.588 nan 8.270 nan 0.000 0.431 307 D N 0.749 121.037 120.400 -0.188 0.000 2.392 307 D HA 0.102 4.742 4.640 -0.000 0.000 0.228 307 D C -0.951 175.322 176.300 -0.044 0.000 1.074 307 D CA -0.252 53.690 54.000 -0.096 0.000 0.838 307 D CB 1.033 41.785 40.800 -0.081 0.000 1.067 307 D HN -0.024 nan 8.370 nan 0.000 0.511 308 L N 5.004 126.215 121.223 -0.020 0.000 2.295 308 L HA 0.098 4.438 4.340 -0.000 0.000 0.288 308 L C 0.963 177.830 176.870 -0.005 0.000 1.079 308 L CA -0.116 54.724 54.840 -0.001 0.000 0.830 308 L CB 0.964 43.031 42.059 0.013 0.000 1.200 308 L HN 0.263 nan 8.230 nan 0.000 0.438 309 V N 3.090 123.000 119.914 -0.006 0.000 3.226 309 V HA 0.154 4.274 4.120 -0.000 0.000 0.385 309 V C 0.821 176.914 176.094 -0.001 0.000 1.268 309 V CA -0.405 61.891 62.300 -0.006 0.000 1.443 309 V CB -0.631 31.188 31.823 -0.008 0.000 1.290 309 V HN 0.331 nan 8.190 nan 0.000 0.490 310 L N 0.000 121.224 121.223 0.002 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.842 54.840 0.003 0.000 0.813 310 L CB 0.000 42.062 42.059 0.004 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502