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 1e9v_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFCFQCQETA KNTGCTVKGM CGKPEETANL QDLLIFVLRG IAIYGEKLKE DATA SEQUENCE LGQPDRSNDD FVLQGLFATI TNANWDDARF EAMISEGLAR RDKLRNAFLA DATA SEQUENCE VYKAKNGKDF SEPLPEAATW TGDSTAFAEK AKSVGILATE NEDVRSLREL DATA SEQUENCE LIIGLKGVAA YAEHAAVLGF RKTEIDEFML EALASTTKDL SVDEMVALVM DATA SEQUENCE KAGGMAVTTM ALLDEANTTT YGNPEITQVN IGVGKNPGIL ISGHDLKDMA DATA SEQUENCE ELLKQTEGTG VDVYTHGEML PANYYPAFKK YPHFVGNYGG SWWQQNPEFE DATA SEQUENCE SFNGPILLTT NCLVPLKKEN TYLDRLYTTG VVGYEGAKHI ADRPAGGAKD DATA SEQUENCE FSALIAQAKK CPPPVEIETG SIVGGFAHHQ VLALADKVVE AVKSGAIKRF DATA SEQUENCE VVMAGXDGRQ KSRSYYTEVA ENLPKDTVIL TAGCAKYRYN KLNLGDIGGI DATA SEQUENCE PRVLDAGQCN DSYSLAVIAL KLKEVFGLDD INDLPVSYDI AWYEQKAVAV DATA SEQUENCE LLALLFLGVK GIRLGPTLPA FLSPNVAKVL VENFNIKPIG TVQDDIAAMM DATA SEQUENCE AGK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.347 176.300 0.079 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 2 F N 1.465 121.346 119.950 -0.115 0.000 2.689 2 F HA 0.740 5.267 4.527 0.001 0.000 0.332 2 F C -1.918 173.781 175.800 -0.167 0.000 1.209 2 F CA -0.584 57.327 58.000 -0.147 0.000 1.028 2 F CB 1.659 40.538 39.000 -0.202 0.000 1.291 2 F HN 1.050 nan 8.300 nan 0.000 0.500 3 C N 7.939 126.786 119.300 -0.754 0.000 2.686 3 C HA 0.772 5.232 4.460 -0.000 0.000 0.318 3 C C -0.754 173.975 174.990 -0.434 0.000 1.160 3 C CA -0.482 58.274 59.018 -0.436 0.000 1.396 3 C CB 0.911 28.528 27.740 -0.204 0.000 1.924 3 C HN 0.797 nan 8.230 nan 0.000 0.471 4 F N 4.170 123.967 119.950 -0.254 0.000 2.790 4 F HA 0.287 4.814 4.527 0.000 0.000 0.347 4 F C 1.018 176.925 175.800 0.179 0.000 1.252 4 F CA -0.622 57.334 58.000 -0.073 0.000 1.109 4 F CB -1.450 37.561 39.000 0.017 0.000 1.205 4 F HN 0.724 nan 8.300 nan 0.000 0.510 5 Q N 0.937 120.937 119.800 0.333 0.000 2.451 5 Q HA 0.186 4.526 4.340 -0.000 0.000 0.206 5 Q C 0.861 177.005 176.000 0.239 0.000 0.947 5 Q CA 0.811 56.722 55.803 0.180 0.000 0.937 5 Q CB -0.083 28.654 28.738 -0.003 0.000 1.025 5 Q HN 0.506 nan 8.270 nan 0.000 0.511 6 C N -1.926 117.447 119.300 0.122 0.000 2.630 6 C HA 0.370 4.830 4.460 -0.000 0.000 0.346 6 C C 1.491 176.373 174.990 -0.180 0.000 1.245 6 C CA -0.769 58.173 59.018 -0.127 0.000 1.804 6 C CB 2.118 29.548 27.740 -0.516 0.000 2.279 6 C HN 0.380 nan 8.230 nan 0.000 0.498 7 Q N 0.416 119.781 119.800 -0.725 0.000 2.224 7 Q HA -0.095 4.245 4.340 -0.000 0.000 0.203 7 Q C 1.443 177.328 176.000 -0.192 0.000 0.970 7 Q CA 1.875 57.217 55.803 -0.769 0.000 0.865 7 Q CB -0.058 27.911 28.738 -1.282 0.000 0.922 7 Q HN 0.918 nan 8.270 nan 0.000 0.445 8 E N 0.571 120.754 120.200 -0.029 0.000 2.445 8 E HA 0.025 4.375 4.350 -0.000 0.000 0.189 8 E C 0.067 176.703 176.600 0.060 0.000 1.069 8 E CA -0.218 56.225 56.400 0.072 0.000 0.871 8 E CB 0.162 29.999 29.700 0.228 0.000 0.991 8 E HN 0.118 nan 8.360 nan 0.000 0.481 9 T N 1.018 115.599 114.554 0.045 0.000 2.939 9 T HA 0.091 4.441 4.350 -0.000 0.000 0.319 9 T C 0.236 174.965 174.700 0.047 0.000 1.082 9 T CA -0.287 61.843 62.100 0.051 0.000 1.133 9 T CB 0.437 69.360 68.868 0.091 0.000 1.019 9 T HN 0.200 nan 8.240 nan 0.000 0.548 10 A N 4.983 127.822 122.820 0.031 0.000 2.548 10 A HA 0.302 4.622 4.320 -0.000 0.000 0.247 10 A C 1.142 178.755 177.584 0.048 0.000 1.067 10 A CA -0.152 51.906 52.037 0.034 0.000 0.757 10 A CB -0.126 18.888 19.000 0.023 0.000 0.996 10 A HN 0.964 nan 8.150 nan 0.000 0.504 11 K N 1.202 121.629 120.400 0.045 0.000 3.193 11 K HA -0.256 4.064 4.320 -0.000 0.000 0.294 11 K C 0.371 177.006 176.600 0.058 0.000 1.185 11 K CA 1.182 57.497 56.287 0.048 0.000 0.866 11 K CB -1.903 30.629 32.500 0.054 0.000 1.227 11 K HN 1.236 nan 8.250 nan 0.000 0.467 12 N N -0.680 118.058 118.700 0.063 0.000 2.725 12 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 12 N C 0.529 176.102 175.510 0.105 0.000 1.103 12 N CA 1.921 55.016 53.050 0.075 0.000 0.707 12 N CB -1.008 37.515 38.487 0.059 0.000 1.043 12 N HN 0.711 nan 8.380 nan 0.000 0.553 13 T N -5.158 109.476 114.554 0.135 0.000 3.010 13 T HA 0.544 4.894 4.350 -0.000 0.000 0.252 13 T C 0.718 175.592 174.700 0.290 0.000 0.963 13 T CA 0.575 62.803 62.100 0.212 0.000 0.952 13 T CB 1.164 70.143 68.868 0.185 0.000 1.182 13 T HN 0.898 nan 8.240 nan 0.000 0.495 14 G N -0.015 108.858 108.800 0.121 0.000 2.322 14 G HA2 0.337 4.297 3.960 -0.000 0.000 0.289 14 G HA3 0.337 4.297 3.960 -0.000 0.000 0.289 14 G C -1.009 173.770 174.900 -0.202 0.000 1.687 14 G CA -0.787 44.217 45.100 -0.160 0.000 0.944 14 G HN 0.458 nan 8.290 nan 0.000 0.718 15 C N 2.065 121.183 119.300 -0.304 0.000 2.415 15 C HA 0.640 5.100 4.460 -0.000 0.000 0.369 15 C C 1.816 176.697 174.990 -0.182 0.000 1.279 15 C CA 0.414 59.331 59.018 -0.167 0.000 1.886 15 C CB 0.036 27.709 27.740 -0.113 0.000 2.468 15 C HN 1.045 nan 8.230 nan 0.000 0.553 16 T N -0.773 113.752 114.554 -0.049 0.000 2.975 16 T HA 0.123 4.473 4.350 -0.000 0.000 0.261 16 T C 0.807 175.518 174.700 0.017 0.000 0.984 16 T CA 0.258 62.367 62.100 0.016 0.000 0.911 16 T CB 0.051 68.972 68.868 0.088 0.000 1.127 16 T HN 0.414 nan 8.240 nan 0.000 0.514 17 V N -0.173 119.747 119.914 0.009 0.000 3.029 17 V HA 0.492 4.612 4.120 -0.000 0.000 0.230 17 V C 0.201 176.303 176.094 0.014 0.000 1.254 17 V CA 0.168 62.477 62.300 0.014 0.000 1.276 17 V CB 0.671 32.505 31.823 0.019 0.000 1.080 17 V HN 0.380 nan 8.190 nan 0.000 0.495 18 K N 0.253 120.665 120.400 0.019 0.000 2.501 18 K HA 0.559 4.879 4.320 -0.000 0.000 0.252 18 K C -0.094 176.530 176.600 0.040 0.000 0.934 18 K CA -0.284 56.023 56.287 0.035 0.000 0.797 18 K CB 1.970 34.499 32.500 0.047 0.000 1.270 18 K HN 0.311 nan 8.250 nan 0.000 0.431 19 G N 2.784 111.618 108.800 0.056 0.000 2.554 19 G HA2 0.017 3.977 3.960 -0.000 0.000 0.238 19 G HA3 0.017 3.977 3.960 -0.000 0.000 0.238 19 G C 0.905 175.866 174.900 0.102 0.000 1.259 19 G CA -0.456 44.683 45.100 0.065 0.000 0.843 19 G HN 0.618 nan 8.290 nan 0.000 0.582 20 M N 1.470 121.128 119.600 0.097 0.000 2.374 20 M HA -0.073 4.407 4.480 -0.000 0.000 0.264 20 M C 2.546 178.956 176.300 0.183 0.000 1.067 20 M CA 0.827 56.197 55.300 0.117 0.000 1.103 20 M CB -1.370 31.291 32.600 0.102 0.000 1.402 20 M HN 0.787 nan 8.290 nan 0.000 0.444 21 C N -1.624 117.821 119.300 0.242 0.000 2.514 21 C HA 0.504 4.964 4.460 -0.000 0.000 0.271 21 C C 1.815 177.061 174.990 0.426 0.000 1.399 21 C CA 0.350 59.591 59.018 0.371 0.000 1.765 21 C CB -0.941 27.040 27.740 0.402 0.000 1.893 21 C HN 0.699 nan 8.230 nan 0.000 0.531 22 G N 0.337 109.337 108.800 0.333 0.000 2.211 22 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.201 22 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.201 22 G C 0.064 175.208 174.900 0.407 0.000 0.997 22 G CA 0.093 45.364 45.100 0.285 0.000 0.652 22 G HN 0.725 nan 8.290 nan 0.000 0.500 23 K N 2.248 122.929 120.400 0.468 0.000 2.419 23 K HA 0.372 4.692 4.320 -0.000 0.000 0.282 23 K C -2.001 174.696 176.600 0.161 0.000 1.056 23 K CA -1.062 55.419 56.287 0.324 0.000 1.035 23 K CB 0.693 33.218 32.500 0.042 0.000 0.921 23 K HN 0.151 nan 8.250 nan 0.000 0.472 24 P HA 0.021 nan 4.420 nan 0.000 0.276 24 P C 0.016 177.331 177.300 0.026 0.000 1.252 24 P CA -0.276 62.871 63.100 0.079 0.000 0.802 24 P CB 0.977 32.724 31.700 0.079 0.000 1.035 25 E N 0.934 121.141 120.200 0.011 0.000 2.070 25 E HA -0.296 4.054 4.350 -0.000 0.000 0.197 25 E C 1.216 177.799 176.600 -0.028 0.000 1.004 25 E CA 1.862 58.254 56.400 -0.013 0.000 0.805 25 E CB -0.255 29.442 29.700 -0.005 0.000 0.744 25 E HN 0.352 nan 8.360 nan 0.000 0.451 26 E N -0.220 119.974 120.200 -0.010 0.000 2.077 26 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 26 E C 2.145 178.719 176.600 -0.043 0.000 0.989 26 E CA 1.870 58.262 56.400 -0.012 0.000 0.800 26 E CB -0.420 29.289 29.700 0.015 0.000 0.746 26 E HN 0.294 nan 8.360 nan 0.000 0.452 27 T N 0.436 114.964 114.554 -0.044 0.000 2.737 27 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 27 T C 1.974 176.517 174.700 -0.260 0.000 1.038 27 T CA 1.246 63.270 62.100 -0.127 0.000 1.144 27 T CB -0.410 68.432 68.868 -0.044 0.000 0.866 27 T HN 0.281 nan 8.240 nan 0.000 0.434 28 A N 2.680 125.393 122.820 -0.178 0.000 1.883 28 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 28 A C 2.239 179.700 177.584 -0.204 0.000 1.186 28 A CA 1.726 53.644 52.037 -0.200 0.000 0.624 28 A CB -0.692 18.232 19.000 -0.128 0.000 0.822 28 A HN 0.400 nan 8.150 nan 0.000 0.444 29 N N 0.123 118.730 118.700 -0.154 0.000 2.188 29 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 29 N C 1.600 177.003 175.510 -0.180 0.000 1.018 29 N CA 1.260 54.222 53.050 -0.146 0.000 0.858 29 N CB -0.560 37.864 38.487 -0.105 0.000 0.989 29 N HN 0.505 nan 8.380 nan 0.000 0.426 30 L N 1.120 122.228 121.223 -0.192 0.000 2.083 30 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 30 L C 2.343 179.021 176.870 -0.321 0.000 1.083 30 L CA 1.130 55.852 54.840 -0.196 0.000 0.752 30 L CB -0.365 41.621 42.059 -0.122 0.000 0.899 30 L HN 0.212 nan 8.230 nan 0.000 0.433 31 Q N -0.274 119.215 119.800 -0.520 0.000 2.084 31 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 31 Q C 1.804 177.666 176.000 -0.231 0.000 0.978 31 Q CA 1.527 57.034 55.803 -0.492 0.000 0.844 31 Q CB -0.144 28.264 28.738 -0.551 0.000 0.898 31 Q HN 0.500 nan 8.270 nan 0.000 0.426 32 D N 0.719 121.000 120.400 -0.199 0.000 2.123 32 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 32 D C 1.874 178.109 176.300 -0.108 0.000 0.992 32 D CA 0.799 54.718 54.000 -0.135 0.000 0.833 32 D CB -0.126 40.588 40.800 -0.144 0.000 0.954 32 D HN 0.110 nan 8.370 nan 0.000 0.455 33 L N 0.676 121.807 121.223 -0.153 0.000 2.093 33 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 33 L C 2.106 178.974 176.870 -0.002 0.000 1.085 33 L CA 1.100 55.857 54.840 -0.138 0.000 0.755 33 L CB -0.582 41.334 42.059 -0.239 0.000 0.904 33 L HN -0.011 nan 8.230 nan 0.000 0.435 34 L N -0.568 120.640 121.223 -0.024 0.000 2.046 34 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 34 L C 2.303 179.206 176.870 0.054 0.000 1.077 34 L CA 1.806 56.673 54.840 0.045 0.000 0.747 34 L CB -0.512 41.602 42.059 0.093 0.000 0.896 34 L HN 0.289 nan 8.230 nan 0.000 0.432 35 I N -1.298 119.286 120.570 0.024 0.000 2.286 35 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 35 I C 2.353 178.508 176.117 0.064 0.000 1.115 35 I CA 1.483 62.795 61.300 0.020 0.000 1.392 35 I CB -0.456 37.538 38.000 -0.011 0.000 1.065 35 I HN 0.322 nan 8.210 nan 0.000 0.418 36 F N 1.421 121.325 119.950 -0.077 0.000 2.126 36 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 36 F C 2.306 178.092 175.800 -0.023 0.000 1.096 36 F CA 1.688 59.645 58.000 -0.072 0.000 1.255 36 F CB -0.357 38.569 39.000 -0.123 0.000 0.997 36 F HN -0.229 nan 8.300 nan 0.000 0.479 37 V N 0.827 120.775 119.914 0.058 0.000 2.427 37 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 37 V C 2.441 178.534 176.094 -0.002 0.000 1.051 37 V CA 1.782 64.082 62.300 0.001 0.000 1.048 37 V CB -0.669 31.229 31.823 0.126 0.000 0.666 37 V HN 0.399 nan 8.190 nan 0.000 0.456 38 L N -0.572 120.670 121.223 0.032 0.000 2.141 38 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 38 L C 2.753 179.596 176.870 -0.045 0.000 1.094 38 L CA 1.480 56.339 54.840 0.032 0.000 0.763 38 L CB -0.582 41.487 42.059 0.017 0.000 0.908 38 L HN 0.248 nan 8.230 nan 0.000 0.437 39 R N -0.069 120.370 120.500 -0.101 0.000 2.096 39 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 39 R C 2.399 178.578 176.300 -0.202 0.000 1.127 39 R CA 1.173 57.183 56.100 -0.150 0.000 0.968 39 R CB -0.665 29.537 30.300 -0.164 0.000 0.861 39 R HN 0.424 nan 8.270 nan 0.000 0.440 40 G N 1.486 110.143 108.800 -0.238 0.000 2.421 40 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 40 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 40 G C 1.464 176.305 174.900 -0.098 0.000 1.171 40 G CA 0.596 45.563 45.100 -0.222 0.000 0.775 40 G HN 0.146 nan 8.290 nan 0.000 0.543 41 I N 1.458 122.018 120.570 -0.015 0.000 2.163 41 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 41 I C 3.312 179.424 176.117 -0.008 0.000 1.085 41 I CA 1.138 62.464 61.300 0.043 0.000 1.347 41 I CB -0.234 37.802 38.000 0.061 0.000 1.044 41 I HN 0.262 nan 8.210 nan 0.000 0.408 42 A N 0.850 123.630 122.820 -0.067 0.000 1.902 42 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 42 A C 2.282 179.770 177.584 -0.161 0.000 1.181 42 A CA 1.463 53.441 52.037 -0.099 0.000 0.623 42 A CB -0.813 18.117 19.000 -0.117 0.000 0.818 42 A HN 0.380 nan 8.150 nan 0.000 0.443 43 I N -1.788 118.627 120.570 -0.260 0.000 2.118 43 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 43 I C 2.388 178.230 176.117 -0.458 0.000 1.070 43 I CA 1.761 62.818 61.300 -0.405 0.000 1.327 43 I CB -0.433 37.212 38.000 -0.592 0.000 1.034 43 I HN 0.427 nan 8.210 nan 0.000 0.405 44 Y N 0.447 120.577 120.300 -0.284 0.000 2.263 44 Y HA -0.049 4.501 4.550 -0.000 0.000 0.292 44 Y C 2.565 178.337 175.900 -0.214 0.000 1.130 44 Y CA 1.056 58.942 58.100 -0.357 0.000 1.179 44 Y CB -1.277 37.029 38.460 -0.257 0.000 0.998 44 Y HN 0.102 nan 8.280 nan 0.000 0.532 45 G N -0.325 108.483 108.800 0.013 0.000 2.418 45 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 45 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 45 G C 1.585 176.476 174.900 -0.015 0.000 1.158 45 G CA 1.019 46.125 45.100 0.009 0.000 0.771 45 G HN 0.457 nan 8.290 nan 0.000 0.545 46 E N 0.337 120.500 120.200 -0.061 0.000 2.072 46 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 46 E C 2.375 178.950 176.600 -0.043 0.000 0.985 46 E CA 0.889 57.256 56.400 -0.055 0.000 0.801 46 E CB -0.082 29.565 29.700 -0.087 0.000 0.750 46 E HN 0.368 nan 8.360 nan 0.000 0.452 47 K N 0.207 120.547 120.400 -0.100 0.000 2.097 47 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 47 K C 2.277 178.934 176.600 0.094 0.000 1.049 47 K CA 1.017 57.270 56.287 -0.056 0.000 0.933 47 K CB -0.075 32.214 32.500 -0.352 0.000 0.717 47 K HN 0.190 nan 8.250 nan 0.000 0.442 48 L N 1.225 122.506 121.223 0.097 0.000 2.046 48 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 48 L C 2.617 179.539 176.870 0.088 0.000 1.077 48 L CA 1.310 56.233 54.840 0.138 0.000 0.747 48 L CB -0.357 41.771 42.059 0.114 0.000 0.896 48 L HN 0.173 nan 8.230 nan 0.000 0.432 49 K N 0.592 121.026 120.400 0.057 0.000 2.057 49 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 49 K C 1.873 178.504 176.600 0.051 0.000 1.049 49 K CA 1.725 58.039 56.287 0.046 0.000 0.931 49 K CB -0.029 32.492 32.500 0.034 0.000 0.714 49 K HN 0.340 nan 8.250 nan 0.000 0.440 50 E N 0.534 120.768 120.200 0.057 0.000 2.153 50 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 50 E C 1.807 178.452 176.600 0.074 0.000 0.988 50 E CA 1.030 57.468 56.400 0.063 0.000 0.811 50 E CB -0.039 29.703 29.700 0.070 0.000 0.746 50 E HN 0.338 nan 8.360 nan 0.000 0.466 51 L N -0.336 120.945 121.223 0.096 0.000 2.599 51 L HA 0.090 4.430 4.340 -0.000 0.000 0.230 51 L C 1.278 178.179 176.870 0.053 0.000 1.141 51 L CA 0.364 55.255 54.840 0.084 0.000 0.877 51 L CB -0.026 42.107 42.059 0.123 0.000 1.009 51 L HN 0.316 nan 8.230 nan 0.000 0.447 52 G N 0.037 108.866 108.800 0.049 0.000 2.136 52 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 52 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 52 G C 0.309 175.229 174.900 0.032 0.000 0.989 52 G CA -0.174 44.946 45.100 0.035 0.000 0.682 52 G HN 0.486 nan 8.290 nan 0.000 0.522 53 Q N 0.388 120.214 119.800 0.042 0.000 2.719 53 Q HA 0.205 4.545 4.340 -0.000 0.000 0.376 53 Q C -2.546 173.479 176.000 0.042 0.000 0.856 53 Q CA -1.546 54.280 55.803 0.037 0.000 1.038 53 Q CB 2.062 30.822 28.738 0.037 0.000 1.418 53 Q HN 0.438 nan 8.270 nan 0.000 0.395 54 P HA -0.043 nan 4.420 nan 0.000 0.267 54 P C -0.593 176.725 177.300 0.029 0.000 1.200 54 P CA 0.306 63.427 63.100 0.035 0.000 0.772 54 P CB 0.953 32.672 31.700 0.031 0.000 0.855 55 D N 2.622 123.039 120.400 0.029 0.000 2.505 55 D HA 0.148 4.788 4.640 -0.000 0.000 0.250 55 D C 0.319 176.632 176.300 0.022 0.000 1.164 55 D CA -0.514 53.498 54.000 0.021 0.000 0.870 55 D CB 0.894 41.705 40.800 0.018 0.000 1.160 55 D HN 0.116 nan 8.370 nan 0.000 0.549 56 R N 1.926 122.439 120.500 0.021 0.000 2.466 56 R HA 0.063 4.403 4.340 -0.000 0.000 0.279 56 R C 1.461 177.778 176.300 0.028 0.000 0.976 56 R CA 0.023 56.139 56.100 0.026 0.000 1.081 56 R CB 0.199 30.514 30.300 0.026 0.000 1.215 56 R HN 0.434 nan 8.270 nan 0.000 0.546 57 S N 0.238 115.949 115.700 0.019 0.000 2.474 57 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 57 S C 1.085 175.701 174.600 0.027 0.000 0.997 57 S CA 0.661 58.870 58.200 0.015 0.000 0.949 57 S CB -0.014 63.184 63.200 -0.003 0.000 0.766 57 S HN 0.218 nan 8.310 nan 0.000 0.517 58 N N 1.093 119.818 118.700 0.041 0.000 2.214 58 N HA 0.130 4.870 4.740 -0.000 0.000 0.214 58 N C -0.044 175.546 175.510 0.134 0.000 1.132 58 N CA 0.186 53.288 53.050 0.087 0.000 0.856 58 N CB 0.187 38.715 38.487 0.069 0.000 1.020 58 N HN 0.325 nan 8.380 nan 0.000 0.509 59 D N 1.537 121.990 120.400 0.089 0.000 2.106 59 D HA -0.193 4.447 4.640 -0.000 0.000 0.191 59 D C 1.415 177.770 176.300 0.091 0.000 0.997 59 D CA 1.470 55.517 54.000 0.079 0.000 0.834 59 D CB -0.148 40.687 40.800 0.058 0.000 0.956 59 D HN 0.264 nan 8.370 nan 0.000 0.448 60 D N -1.297 119.163 120.400 0.099 0.000 2.178 60 D HA -0.116 4.524 4.640 -0.000 0.000 0.202 60 D C 1.782 178.143 176.300 0.102 0.000 0.974 60 D CA 0.299 54.352 54.000 0.089 0.000 0.841 60 D CB -0.149 40.701 40.800 0.083 0.000 0.953 60 D HN 0.090 nan 8.370 nan 0.000 0.478 61 F N 0.252 120.212 119.950 0.016 0.000 2.126 61 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 61 F C 1.992 177.800 175.800 0.014 0.000 1.096 61 F CA 1.115 59.123 58.000 0.012 0.000 1.255 61 F CB -0.343 38.662 39.000 0.009 0.000 0.997 61 F HN -0.128 nan 8.300 nan 0.000 0.479 62 V N 0.816 120.791 119.914 0.101 0.000 2.358 62 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 62 V C 2.470 178.522 176.094 -0.071 0.000 1.047 62 V CA 1.973 64.271 62.300 -0.002 0.000 1.035 62 V CB -0.710 31.155 31.823 0.069 0.000 0.658 62 V HN 0.377 nan 8.190 nan 0.000 0.452 63 L N -0.588 120.619 121.223 -0.027 0.000 2.017 63 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 63 L C 2.676 179.539 176.870 -0.013 0.000 1.073 63 L CA 1.777 56.604 54.840 -0.022 0.000 0.745 63 L CB -0.702 41.360 42.059 0.005 0.000 0.894 63 L HN 0.363 nan 8.230 nan 0.000 0.432 64 Q N -0.257 119.510 119.800 -0.055 0.000 2.119 64 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 64 Q C 2.317 178.222 176.000 -0.158 0.000 0.972 64 Q CA 1.307 57.066 55.803 -0.074 0.000 0.847 64 Q CB -0.336 28.328 28.738 -0.123 0.000 0.903 64 Q HN 0.618 nan 8.270 nan 0.000 0.433 65 G N 0.995 109.607 108.800 -0.312 0.000 2.421 65 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 65 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 65 G C 1.398 176.239 174.900 -0.098 0.000 1.171 65 G CA 0.482 45.400 45.100 -0.303 0.000 0.775 65 G HN 0.167 nan 8.290 nan 0.000 0.543 66 L N -0.701 120.479 121.223 -0.072 0.000 2.046 66 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 66 L C 2.589 179.490 176.870 0.051 0.000 1.077 66 L CA 0.704 55.528 54.840 -0.026 0.000 0.747 66 L CB -0.417 41.609 42.059 -0.056 0.000 0.896 66 L HN 0.140 nan 8.230 nan 0.000 0.432 67 F N 1.135 121.012 119.950 -0.122 0.000 2.171 67 F HA -0.169 4.357 4.527 -0.000 0.000 0.300 67 F C 2.444 178.194 175.800 -0.082 0.000 1.090 67 F CA 0.969 58.899 58.000 -0.117 0.000 1.293 67 F CB -0.664 38.254 39.000 -0.136 0.000 1.013 67 F HN 0.022 nan 8.300 nan 0.000 0.486 68 A N -0.664 122.191 122.820 0.058 0.000 2.070 68 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 68 A C 2.013 179.692 177.584 0.159 0.000 1.159 68 A CA 2.038 54.074 52.037 -0.002 0.000 0.656 68 A CB -1.361 17.571 19.000 -0.112 0.000 0.800 68 A HN 0.463 nan 8.150 nan 0.000 0.453 69 T N -2.574 112.052 114.554 0.119 0.000 3.144 69 T HA 0.381 4.731 4.350 -0.000 0.000 0.249 69 T C 0.538 175.215 174.700 -0.040 0.000 1.089 69 T CA -0.308 61.802 62.100 0.017 0.000 0.989 69 T CB -0.554 68.294 68.868 -0.033 0.000 0.992 69 T HN 0.276 nan 8.240 nan 0.000 0.540 70 I N 2.818 123.394 120.570 0.011 0.000 2.696 70 I HA 0.081 4.251 4.170 -0.000 0.000 0.284 70 I C 0.593 176.664 176.117 -0.076 0.000 1.129 70 I CA -0.451 60.841 61.300 -0.013 0.000 1.410 70 I CB 0.708 38.763 38.000 0.091 0.000 1.399 70 I HN 0.128 nan 8.210 nan 0.000 0.579 71 T N 6.235 120.718 114.554 -0.118 0.000 2.905 71 T HA -0.072 4.278 4.350 -0.000 0.000 0.299 71 T C 0.707 175.355 174.700 -0.087 0.000 1.024 71 T CA 0.299 62.308 62.100 -0.151 0.000 1.151 71 T CB -0.192 68.529 68.868 -0.245 0.000 0.987 71 T HN 0.704 nan 8.240 nan 0.000 0.535 72 N N 0.121 118.753 118.700 -0.115 0.000 2.741 72 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 72 N C 0.822 176.388 175.510 0.093 0.000 1.112 72 N CA 0.937 54.056 53.050 0.116 0.000 0.750 72 N CB -1.334 37.298 38.487 0.242 0.000 1.119 72 N HN 0.774 nan 8.380 nan 0.000 0.561 73 A N -0.550 122.202 122.820 -0.113 0.000 1.901 73 A HA 0.137 4.457 4.320 -0.000 0.000 0.210 73 A C 0.906 178.456 177.584 -0.058 0.000 1.208 73 A CA 0.984 53.001 52.037 -0.034 0.000 0.644 73 A CB 0.382 19.355 19.000 -0.046 0.000 0.863 73 A HN 0.271 nan 8.150 nan 0.000 0.454 74 N N -1.881 116.698 118.700 -0.201 0.000 2.425 74 N HA 0.265 5.005 4.740 -0.000 0.000 0.289 74 N C -1.490 173.983 175.510 -0.061 0.000 1.074 74 N CA -0.467 52.551 53.050 -0.053 0.000 0.905 74 N CB 1.070 39.484 38.487 -0.122 0.000 1.586 74 N HN 0.262 nan 8.380 nan 0.000 0.490 75 W N 0.465 121.906 121.300 0.235 0.000 3.008 75 W HA 0.277 4.937 4.660 -0.000 0.000 0.355 75 W C 0.262 176.851 176.519 0.117 0.000 1.095 75 W CA -0.396 57.063 57.345 0.191 0.000 1.738 75 W CB 0.584 30.138 29.460 0.156 0.000 1.091 75 W HN 0.392 nan 8.180 nan 0.000 0.574 76 D N 0.753 121.314 120.400 0.268 0.000 2.396 76 D HA 0.032 4.672 4.640 -0.000 0.000 0.225 76 D C 0.944 177.358 176.300 0.190 0.000 1.121 76 D CA 0.231 54.311 54.000 0.134 0.000 0.853 76 D CB 0.934 41.748 40.800 0.025 0.000 1.043 76 D HN -0.117 nan 8.370 nan 0.000 0.500 77 D N 2.914 123.441 120.400 0.212 0.000 2.182 77 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 77 D C 1.777 178.195 176.300 0.197 0.000 0.986 77 D CA 1.069 55.225 54.000 0.259 0.000 0.847 77 D CB 0.010 40.906 40.800 0.159 0.000 0.942 77 D HN 0.551 nan 8.370 nan 0.000 0.467 78 A N 1.002 123.882 122.820 0.099 0.000 1.933 78 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 78 A C 2.161 179.762 177.584 0.028 0.000 1.175 78 A CA 1.016 53.092 52.037 0.064 0.000 0.628 78 A CB -0.188 18.828 19.000 0.026 0.000 0.814 78 A HN 0.031 nan 8.150 nan 0.000 0.444 79 R N -1.215 119.245 120.500 -0.066 0.000 2.073 79 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 79 R C 1.841 178.006 176.300 -0.225 0.000 1.134 79 R CA 1.431 57.402 56.100 -0.215 0.000 0.952 79 R CB -0.974 29.081 30.300 -0.409 0.000 0.850 79 R HN 0.592 nan 8.270 nan 0.000 0.433 80 F N 1.576 121.534 119.950 0.014 0.000 2.134 80 F HA -0.123 4.404 4.527 0.000 0.000 0.299 80 F C 2.426 178.277 175.800 0.086 0.000 1.097 80 F CA 1.242 59.254 58.000 0.020 0.000 1.264 80 F CB -0.470 38.530 39.000 -0.001 0.000 1.001 80 F HN 0.104 nan 8.300 nan 0.000 0.479 81 E N 0.056 120.447 120.200 0.318 0.000 2.085 81 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 81 E C 2.423 179.236 176.600 0.354 0.000 0.994 81 E CA 1.073 57.723 56.400 0.418 0.000 0.801 81 E CB -0.384 29.524 29.700 0.347 0.000 0.743 81 E HN 0.382 nan 8.360 nan 0.000 0.453 82 A N 1.012 123.951 122.820 0.197 0.000 1.902 82 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 82 A C 2.146 179.836 177.584 0.177 0.000 1.181 82 A CA 1.343 53.471 52.037 0.152 0.000 0.623 82 A CB -0.399 18.643 19.000 0.069 0.000 0.818 82 A HN 0.141 nan 8.150 nan 0.000 0.443 83 M N -0.935 118.757 119.600 0.153 0.000 2.175 83 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 83 M C 2.034 178.511 176.300 0.295 0.000 1.063 83 M CA 1.280 56.713 55.300 0.223 0.000 1.119 83 M CB -0.434 32.200 32.600 0.058 0.000 1.377 83 M HN 0.391 nan 8.290 nan 0.000 0.415 84 I N -0.581 120.106 120.570 0.196 0.000 2.252 84 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 84 I C 2.472 178.680 176.117 0.152 0.000 1.102 84 I CA 1.084 62.429 61.300 0.075 0.000 1.385 84 I CB -0.344 37.481 38.000 -0.292 0.000 1.064 84 I HN 0.189 nan 8.210 nan 0.000 0.414 85 S N 0.057 115.933 115.700 0.293 0.000 2.356 85 S HA -0.265 4.204 4.470 -0.000 0.000 0.223 85 S C 1.980 176.667 174.600 0.144 0.000 1.032 85 S CA 1.664 60.042 58.200 0.297 0.000 1.005 85 S CB -0.319 63.053 63.200 0.286 0.000 0.867 85 S HN 0.482 nan 8.310 nan 0.000 0.449 86 E N 0.670 120.944 120.200 0.123 0.000 2.077 86 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 86 E C 2.181 178.675 176.600 -0.177 0.000 0.989 86 E CA 1.093 57.489 56.400 -0.008 0.000 0.800 86 E CB -0.445 29.285 29.700 0.049 0.000 0.746 86 E HN 0.508 nan 8.360 nan 0.000 0.452 87 G N 1.156 109.944 108.800 -0.021 0.000 2.422 87 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 87 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 87 G C 1.574 176.450 174.900 -0.040 0.000 1.146 87 G CA 0.656 45.709 45.100 -0.078 0.000 0.769 87 G HN 0.199 nan 8.290 nan 0.000 0.547 88 L N 0.691 121.935 121.223 0.036 0.000 2.046 88 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 88 L C 3.416 180.272 176.870 -0.024 0.000 1.077 88 L CA 1.126 55.988 54.840 0.036 0.000 0.747 88 L CB -0.422 41.684 42.059 0.079 0.000 0.896 88 L HN 0.298 nan 8.230 nan 0.000 0.432 89 A N 0.055 122.847 122.820 -0.046 0.000 1.902 89 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 89 A C 2.391 179.906 177.584 -0.115 0.000 1.181 89 A CA 1.584 53.577 52.037 -0.074 0.000 0.623 89 A CB -0.470 18.488 19.000 -0.071 0.000 0.818 89 A HN 0.321 nan 8.150 nan 0.000 0.443 90 R N -1.100 119.292 120.500 -0.180 0.000 2.075 90 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 90 R C 2.549 178.773 176.300 -0.127 0.000 1.126 90 R CA 1.406 57.384 56.100 -0.203 0.000 0.963 90 R CB -0.313 29.760 30.300 -0.379 0.000 0.858 90 R HN 0.562 nan 8.270 nan 0.000 0.435 91 R N 0.973 121.422 120.500 -0.086 0.000 2.083 91 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 91 R C 1.219 177.457 176.300 -0.103 0.000 1.137 91 R CA 2.075 58.161 56.100 -0.023 0.000 0.951 91 R CB -0.159 30.168 30.300 0.044 0.000 0.851 91 R HN 0.138 nan 8.270 nan 0.000 0.434 92 D N 0.379 120.718 120.400 -0.101 0.000 2.149 92 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 92 D C 1.772 177.973 176.300 -0.165 0.000 0.990 92 D CA 1.275 55.191 54.000 -0.140 0.000 0.839 92 D CB -0.048 40.698 40.800 -0.090 0.000 0.948 92 D HN 0.294 nan 8.370 nan 0.000 0.460 93 K N 0.073 120.395 120.400 -0.130 0.000 2.057 93 K HA -0.034 4.286 4.320 -0.000 0.000 0.207 93 K C 2.273 178.795 176.600 -0.130 0.000 1.049 93 K CA 0.563 56.782 56.287 -0.113 0.000 0.931 93 K CB -0.104 32.342 32.500 -0.090 0.000 0.714 93 K HN 0.145 nan 8.250 nan 0.000 0.440 94 L N 0.508 121.644 121.223 -0.144 0.000 2.046 94 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 94 L C 2.730 179.424 176.870 -0.294 0.000 1.077 94 L CA 1.111 55.871 54.840 -0.135 0.000 0.747 94 L CB -0.405 41.623 42.059 -0.052 0.000 0.896 94 L HN 0.223 nan 8.230 nan 0.000 0.432 95 R N 0.493 120.608 120.500 -0.641 0.000 2.083 95 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 95 R C 2.101 178.202 176.300 -0.332 0.000 1.137 95 R CA 1.906 57.418 56.100 -0.980 0.000 0.951 95 R CB -0.154 29.558 30.300 -0.981 0.000 0.851 95 R HN 0.381 nan 8.270 nan 0.000 0.434 96 N N 0.582 119.148 118.700 -0.224 0.000 2.166 96 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 96 N C 1.621 177.080 175.510 -0.086 0.000 1.019 96 N CA 1.534 54.511 53.050 -0.122 0.000 0.856 96 N CB -0.388 38.040 38.487 -0.098 0.000 0.993 96 N HN 0.364 nan 8.380 nan 0.000 0.426 97 A N 0.748 123.527 122.820 -0.070 0.000 1.902 97 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 97 A C 2.104 179.689 177.584 0.002 0.000 1.181 97 A CA 0.961 52.981 52.037 -0.029 0.000 0.623 97 A CB -0.944 18.049 19.000 -0.012 0.000 0.818 97 A HN 0.293 nan 8.150 nan 0.000 0.443 98 F N 0.877 120.758 119.950 -0.114 0.000 2.095 98 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 98 F C 1.855 177.628 175.800 -0.045 0.000 1.104 98 F CA 1.762 59.717 58.000 -0.074 0.000 1.232 98 F CB -0.462 38.480 39.000 -0.097 0.000 0.987 98 F HN 0.142 nan 8.300 nan 0.000 0.475 99 L N 0.104 121.107 121.223 -0.366 0.000 2.042 99 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 99 L C 2.834 179.569 176.870 -0.226 0.000 1.076 99 L CA 1.314 55.925 54.840 -0.382 0.000 0.749 99 L CB -1.330 40.651 42.059 -0.130 0.000 0.893 99 L HN 0.297 nan 8.230 nan 0.000 0.432 100 A N -0.440 122.295 122.820 -0.141 0.000 1.898 100 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 100 A C 2.311 179.845 177.584 -0.084 0.000 1.181 100 A CA 1.586 53.574 52.037 -0.082 0.000 0.620 100 A CB -0.711 18.255 19.000 -0.056 0.000 0.819 100 A HN 0.193 nan 8.150 nan 0.000 0.442 101 V N -1.443 118.409 119.914 -0.104 0.000 2.358 101 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 101 V C 2.328 178.360 176.094 -0.103 0.000 1.047 101 V CA 1.964 64.219 62.300 -0.076 0.000 1.035 101 V CB -1.053 30.754 31.823 -0.027 0.000 0.658 101 V HN 0.700 nan 8.190 nan 0.000 0.452 102 Y N 1.421 121.509 120.300 -0.353 0.000 2.128 102 Y HA -0.297 4.253 4.550 0.000 0.000 0.284 102 Y C 2.665 178.475 175.900 -0.150 0.000 1.154 102 Y CA 2.420 60.331 58.100 -0.316 0.000 1.149 102 Y CB -0.202 37.868 38.460 -0.649 0.000 0.976 102 Y HN 0.151 nan 8.280 nan 0.000 0.505 103 K N 0.007 120.446 120.400 0.065 0.000 2.057 103 K HA -0.180 4.139 4.320 -0.000 0.000 0.207 103 K C 2.208 178.778 176.600 -0.050 0.000 1.049 103 K CA 1.249 57.565 56.287 0.048 0.000 0.931 103 K CB -0.421 32.112 32.500 0.055 0.000 0.714 103 K HN 0.400 nan 8.250 nan 0.000 0.440 104 A N 1.246 124.028 122.820 -0.064 0.000 1.933 104 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 104 A C 1.796 179.326 177.584 -0.089 0.000 1.175 104 A CA 1.391 53.391 52.037 -0.063 0.000 0.628 104 A CB -0.226 18.744 19.000 -0.050 0.000 0.814 104 A HN 0.169 nan 8.150 nan 0.000 0.444 105 K N -0.147 120.170 120.400 -0.139 0.000 2.305 105 K HA 0.075 4.395 4.320 -0.000 0.000 0.199 105 K C 0.845 177.322 176.600 -0.205 0.000 1.047 105 K CA 0.668 56.862 56.287 -0.155 0.000 0.976 105 K CB -0.172 32.230 32.500 -0.162 0.000 0.765 105 K HN 0.510 nan 8.250 nan 0.000 0.474 106 N N -0.306 118.216 118.700 -0.295 0.000 2.250 106 N HA 0.006 4.746 4.740 -0.000 0.000 0.190 106 N C 0.646 176.081 175.510 -0.125 0.000 1.116 106 N CA 0.748 53.629 53.050 -0.281 0.000 0.881 106 N CB 1.226 39.358 38.487 -0.592 0.000 1.006 106 N HN 0.250 nan 8.380 nan 0.000 0.491 107 G N 2.293 111.042 108.800 -0.084 0.000 2.160 107 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.251 107 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.251 107 G C -0.078 174.826 174.900 0.007 0.000 1.008 107 G CA 1.092 46.173 45.100 -0.030 0.000 0.724 107 G HN 0.554 nan 8.290 nan 0.000 0.514 108 K N -1.250 119.177 120.400 0.045 0.000 2.597 108 K HA 0.526 4.846 4.320 -0.000 0.000 0.282 108 K C -1.628 175.088 176.600 0.194 0.000 0.975 108 K CA -1.221 55.124 56.287 0.098 0.000 0.867 108 K CB 0.953 33.513 32.500 0.101 0.000 1.465 108 K HN -0.116 nan 8.250 nan 0.000 0.417 109 D N 1.124 121.611 120.400 0.145 0.000 2.399 109 D HA 0.094 4.734 4.640 -0.000 0.000 0.241 109 D C -0.536 175.864 176.300 0.166 0.000 1.133 109 D CA -0.004 54.085 54.000 0.149 0.000 0.890 109 D CB 0.265 41.107 40.800 0.071 0.000 1.201 109 D HN 0.368 nan 8.370 nan 0.000 0.432 110 F N 1.338 121.199 119.950 -0.147 0.000 2.529 110 F HA 0.129 4.656 4.527 0.000 0.000 0.365 110 F C 1.196 176.885 175.800 -0.184 0.000 1.102 110 F CA 0.172 57.852 58.000 -0.533 0.000 1.271 110 F CB 0.599 39.181 39.000 -0.697 0.000 1.120 110 F HN 0.239 nan 8.300 nan 0.000 0.579 111 S N 1.716 116.892 115.700 -0.874 0.000 2.911 111 S HA 0.249 4.719 4.470 -0.000 0.000 0.261 111 S C -0.364 173.851 174.600 -0.642 0.000 1.021 111 S CA -0.661 57.214 58.200 -0.541 0.000 1.222 111 S CB -0.625 62.434 63.200 -0.234 0.000 1.171 111 S HN 0.681 nan 8.310 nan 0.000 0.669 112 E N 3.108 122.621 120.200 -1.145 0.000 2.373 112 E HA 0.322 4.672 4.350 -0.000 0.000 0.267 112 E C -2.636 173.774 176.600 -0.317 0.000 1.032 112 E CA -1.896 54.163 56.400 -0.569 0.000 0.889 112 E CB 0.107 29.570 29.700 -0.394 0.000 0.984 112 E HN 0.230 nan 8.360 nan 0.000 0.425 113 P HA 0.024 nan 4.420 nan 0.000 0.268 113 P C -0.842 176.477 177.300 0.032 0.000 1.204 113 P CA 0.426 63.509 63.100 -0.028 0.000 0.768 113 P CB 0.453 32.141 31.700 -0.020 0.000 0.842 114 L N 4.719 125.981 121.223 0.064 0.000 2.333 114 L HA 0.521 4.861 4.340 -0.000 0.000 0.269 114 L C -1.967 174.910 176.870 0.011 0.000 1.010 114 L CA -2.333 52.531 54.840 0.040 0.000 0.818 114 L CB 1.451 43.539 42.059 0.048 0.000 1.306 114 L HN 0.237 nan 8.230 nan 0.000 0.430 115 P HA 0.002 nan 4.420 nan 0.000 0.269 115 P C 0.341 177.644 177.300 0.005 0.000 1.217 115 P CA -0.192 62.898 63.100 -0.017 0.000 0.783 115 P CB 0.624 32.286 31.700 -0.063 0.000 0.898 116 E N 0.931 121.180 120.200 0.082 0.000 2.204 116 E HA -0.200 4.149 4.350 -0.000 0.000 0.195 116 E C 1.738 178.390 176.600 0.086 0.000 0.990 116 E CA 1.003 57.514 56.400 0.184 0.000 0.821 116 E CB -0.189 29.692 29.700 0.301 0.000 0.750 116 E HN 0.532 nan 8.360 nan 0.000 0.477 117 A N 0.929 123.587 122.820 -0.270 0.000 1.978 117 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 117 A C 2.250 179.574 177.584 -0.433 0.000 1.170 117 A CA 1.619 53.082 52.037 -0.957 0.000 0.636 117 A CB -0.385 18.122 19.000 -0.821 0.000 0.810 117 A HN 0.331 nan 8.150 nan 0.000 0.448 118 A N -1.055 121.630 122.820 -0.224 0.000 2.123 118 A HA 0.144 4.464 4.320 -0.000 0.000 0.214 118 A C 2.036 179.685 177.584 0.108 0.000 1.152 118 A CA 1.969 53.929 52.037 -0.127 0.000 0.728 118 A CB -0.452 18.346 19.000 -0.336 0.000 0.814 118 A HN 0.750 nan 8.150 nan 0.000 0.464 119 T N -6.504 108.120 114.554 0.116 0.000 2.966 119 T HA 0.089 4.439 4.350 -0.000 0.000 0.254 119 T C 0.271 175.080 174.700 0.181 0.000 0.961 119 T CA -0.256 61.939 62.100 0.159 0.000 0.915 119 T CB -0.510 68.449 68.868 0.152 0.000 1.186 119 T HN 0.383 nan 8.240 nan 0.000 0.505 120 W N 3.083 124.451 121.300 0.115 0.000 2.223 120 W HA 0.499 5.159 4.660 -0.000 0.000 0.334 120 W C -0.127 176.487 176.519 0.159 0.000 1.334 120 W CA 0.870 58.322 57.345 0.177 0.000 1.246 120 W CB 0.462 30.125 29.460 0.338 0.000 1.184 120 W HN 0.149 nan 8.180 nan 0.000 0.563 121 T N 3.744 117.645 114.554 -1.088 0.000 2.868 121 T HA 0.746 5.096 4.350 -0.000 0.000 0.306 121 T C -0.615 173.248 174.700 -1.395 0.000 1.224 121 T CA -0.052 61.417 62.100 -1.051 0.000 1.012 121 T CB 1.047 69.678 68.868 -0.395 0.000 1.221 121 T HN 1.039 nan 8.240 nan 0.000 0.499 122 G N 1.921 110.229 108.800 -0.819 0.000 2.489 122 G HA2 0.497 4.457 3.960 -0.000 0.000 0.291 122 G HA3 0.497 4.457 3.960 -0.000 0.000 0.291 122 G C -1.583 173.296 174.900 -0.034 0.000 1.487 122 G CA -0.335 44.554 45.100 -0.353 0.000 0.795 122 G HN 0.881 nan 8.290 nan 0.000 0.513 123 D N -1.138 119.215 120.400 -0.078 0.000 2.447 123 D HA 0.380 5.020 4.640 -0.000 0.000 0.265 123 D C 1.836 177.804 176.300 -0.552 0.000 1.250 123 D CA 0.316 54.213 54.000 -0.173 0.000 1.046 123 D CB 0.719 41.435 40.800 -0.139 0.000 1.095 123 D HN 0.637 nan 8.370 nan 0.000 0.555 124 S N -1.666 113.556 115.700 -0.797 0.000 2.447 124 S HA -0.203 4.267 4.470 -0.000 0.000 0.233 124 S C 1.825 176.009 174.600 -0.693 0.000 1.006 124 S CA 1.443 58.815 58.200 -1.379 0.000 0.957 124 S CB -1.413 61.366 63.200 -0.701 0.000 0.773 124 S HN 0.732 nan 8.310 nan 0.000 0.507 125 T N -0.545 113.812 114.554 -0.328 0.000 2.915 125 T HA 0.191 4.541 4.350 -0.000 0.000 0.269 125 T C 1.776 176.458 174.700 -0.030 0.000 1.071 125 T CA 0.902 62.923 62.100 -0.131 0.000 1.132 125 T CB -0.622 68.202 68.868 -0.073 0.000 0.878 125 T HN 0.549 nan 8.240 nan 0.000 0.479 126 A N -0.068 122.766 122.820 0.024 0.000 2.208 126 A HA 0.366 4.686 4.320 -0.000 0.000 0.209 126 A C 1.720 179.556 177.584 0.420 0.000 1.161 126 A CA 0.019 52.201 52.037 0.242 0.000 0.782 126 A CB -0.778 18.451 19.000 0.381 0.000 0.816 126 A HN 0.450 nan 8.150 nan 0.000 0.477 127 F N 0.405 120.470 119.950 0.191 0.000 2.113 127 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 127 F C 2.764 178.575 175.800 0.019 0.000 1.103 127 F CA 0.354 58.438 58.000 0.140 0.000 1.248 127 F CB -1.380 37.705 39.000 0.141 0.000 0.999 127 F HN 0.290 nan 8.300 nan 0.000 0.475 128 A N -0.208 122.740 122.820 0.213 0.000 1.908 128 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 128 A C 2.172 179.770 177.584 0.024 0.000 1.181 128 A CA 2.072 54.162 52.037 0.088 0.000 0.627 128 A CB -0.784 18.254 19.000 0.064 0.000 0.818 128 A HN 0.312 nan 8.150 nan 0.000 0.445 129 E N -0.188 120.034 120.200 0.037 0.000 2.072 129 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 129 E C 1.995 178.548 176.600 -0.080 0.000 0.982 129 E CA 1.585 57.981 56.400 -0.007 0.000 0.803 129 E CB -0.155 29.559 29.700 0.024 0.000 0.755 129 E HN 0.421 nan 8.360 nan 0.000 0.453 130 K N 0.394 120.732 120.400 -0.103 0.000 2.057 130 K HA 0.006 4.326 4.320 -0.000 0.000 0.207 130 K C 1.854 178.190 176.600 -0.440 0.000 1.049 130 K CA 1.486 57.559 56.287 -0.356 0.000 0.931 130 K CB -0.736 31.348 32.500 -0.694 0.000 0.714 130 K HN 0.145 nan 8.250 nan 0.000 0.440 131 A N 1.003 123.634 122.820 -0.316 0.000 1.986 131 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 131 A C 1.866 179.299 177.584 -0.252 0.000 1.171 131 A CA 1.995 53.852 52.037 -0.299 0.000 0.640 131 A CB -0.510 18.386 19.000 -0.174 0.000 0.811 131 A HN 0.427 nan 8.150 nan 0.000 0.451 132 K N 0.213 120.499 120.400 -0.190 0.000 2.280 132 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 132 K C 1.762 178.256 176.600 -0.177 0.000 1.047 132 K CA 1.474 57.670 56.287 -0.150 0.000 0.942 132 K CB -0.123 32.314 32.500 -0.105 0.000 0.739 132 K HN 0.675 nan 8.250 nan 0.000 0.457 133 S N -0.431 115.124 115.700 -0.242 0.000 2.539 133 S HA 0.036 4.506 4.470 -0.000 0.000 0.221 133 S C 1.202 175.625 174.600 -0.295 0.000 0.987 133 S CA -0.178 57.882 58.200 -0.235 0.000 0.929 133 S CB 0.380 63.448 63.200 -0.219 0.000 0.832 133 S HN 0.108 nan 8.310 nan 0.000 0.492 134 V N -1.423 118.260 119.914 -0.385 0.000 3.214 134 V HA 0.636 4.756 4.120 -0.000 0.000 0.330 134 V C 0.836 176.788 176.094 -0.237 0.000 1.403 134 V CA -0.165 61.878 62.300 -0.428 0.000 1.143 134 V CB -0.498 30.767 31.823 -0.930 0.000 1.098 134 V HN 0.336 nan 8.190 nan 0.000 0.463 135 G N 0.116 108.803 108.800 -0.188 0.000 2.563 135 G HA2 0.438 4.398 3.960 -0.000 0.000 0.283 135 G HA3 0.438 4.398 3.960 -0.000 0.000 0.283 135 G C 0.722 175.557 174.900 -0.109 0.000 1.309 135 G CA -0.425 44.599 45.100 -0.126 0.000 1.022 135 G HN 0.218 nan 8.290 nan 0.000 0.501 136 I N -0.436 120.080 120.570 -0.090 0.000 2.264 136 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 136 I C 2.276 178.262 176.117 -0.218 0.000 1.111 136 I CA 1.025 62.252 61.300 -0.121 0.000 1.382 136 I CB -0.138 37.799 38.000 -0.105 0.000 1.060 136 I HN 0.251 nan 8.210 nan 0.000 0.418 137 L N 0.486 121.530 121.223 -0.299 0.000 2.622 137 L HA -0.014 4.326 4.340 -0.000 0.000 0.233 137 L C 2.545 179.298 176.870 -0.195 0.000 1.156 137 L CA 0.224 54.867 54.840 -0.327 0.000 0.866 137 L CB -0.657 41.154 42.059 -0.412 0.000 0.980 137 L HN 0.215 nan 8.230 nan 0.000 0.448 138 A N -0.608 122.124 122.820 -0.148 0.000 2.067 138 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 138 A C 1.248 178.783 177.584 -0.081 0.000 1.158 138 A CA 0.839 52.811 52.037 -0.107 0.000 0.661 138 A CB -0.441 18.500 19.000 -0.098 0.000 0.801 138 A HN 0.289 nan 8.150 nan 0.000 0.452 139 T N 1.226 115.732 114.554 -0.081 0.000 2.723 139 T HA 0.224 4.574 4.350 -0.000 0.000 0.297 139 T C 0.683 175.344 174.700 -0.065 0.000 0.925 139 T CA -0.151 61.916 62.100 -0.053 0.000 1.030 139 T CB 1.020 69.870 68.868 -0.030 0.000 0.905 139 T HN 0.466 nan 8.240 nan 0.000 0.502 140 E N 2.156 122.325 120.200 -0.052 0.000 2.107 140 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 140 E C 1.039 177.618 176.600 -0.036 0.000 0.982 140 E CA 0.278 56.647 56.400 -0.053 0.000 0.809 140 E CB 0.146 29.821 29.700 -0.042 0.000 0.756 140 E HN 0.423 nan 8.360 nan 0.000 0.459 141 N N 2.020 120.709 118.700 -0.019 0.000 2.420 141 N HA -0.085 4.655 4.740 -0.000 0.000 0.262 141 N C 0.558 176.073 175.510 0.007 0.000 1.144 141 N CA 0.358 53.405 53.050 -0.004 0.000 0.952 141 N CB 1.261 39.749 38.487 0.002 0.000 1.081 141 N HN 0.097 nan 8.380 nan 0.000 0.480 142 E N 2.755 122.963 120.200 0.013 0.000 2.153 142 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 142 E C 0.038 176.673 176.600 0.059 0.000 0.988 142 E CA 1.243 57.665 56.400 0.037 0.000 0.811 142 E CB 0.308 30.029 29.700 0.035 0.000 0.746 142 E HN 0.592 nan 8.360 nan 0.000 0.466 143 D N -0.264 120.162 120.400 0.044 0.000 2.137 143 D HA -0.099 4.541 4.640 -0.000 0.000 0.202 143 D C 2.046 178.377 176.300 0.052 0.000 0.970 143 D CA 0.687 54.716 54.000 0.048 0.000 0.837 143 D CB -0.076 40.745 40.800 0.035 0.000 0.981 143 D HN 0.091 nan 8.370 nan 0.000 0.475 144 V N 1.037 120.975 119.914 0.040 0.000 2.343 144 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 144 V C 2.563 178.689 176.094 0.052 0.000 1.051 144 V CA 1.537 63.859 62.300 0.037 0.000 1.036 144 V CB -0.409 31.427 31.823 0.021 0.000 0.654 144 V HN 0.105 nan 8.190 nan 0.000 0.451 145 R N 0.092 120.628 120.500 0.060 0.000 2.083 145 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 145 R C 2.624 179.026 176.300 0.169 0.000 1.137 145 R CA 1.979 58.136 56.100 0.095 0.000 0.951 145 R CB -0.492 29.855 30.300 0.078 0.000 0.851 145 R HN 0.483 nan 8.270 nan 0.000 0.434 146 S N 0.062 115.860 115.700 0.165 0.000 2.368 146 S HA -0.075 4.395 4.470 -0.000 0.000 0.225 146 S C 1.942 176.619 174.600 0.129 0.000 1.030 146 S CA 1.122 59.429 58.200 0.177 0.000 0.999 146 S CB -0.162 63.117 63.200 0.132 0.000 0.844 146 S HN 0.397 nan 8.310 nan 0.000 0.459 147 L N 0.467 121.744 121.223 0.091 0.000 2.109 147 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 147 L C 2.961 179.862 176.870 0.051 0.000 1.086 147 L CA 1.031 55.912 54.840 0.068 0.000 0.760 147 L CB -0.367 41.727 42.059 0.057 0.000 0.910 147 L HN 0.265 nan 8.230 nan 0.000 0.437 148 R N -0.321 120.210 120.500 0.052 0.000 2.075 148 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 148 R C 2.210 178.522 176.300 0.020 0.000 1.126 148 R CA 1.003 57.120 56.100 0.028 0.000 0.963 148 R CB -0.089 30.227 30.300 0.027 0.000 0.858 148 R HN 0.289 nan 8.270 nan 0.000 0.435 149 E N 0.780 121.020 120.200 0.066 0.000 2.152 149 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 149 E C 1.979 178.506 176.600 -0.121 0.000 0.983 149 E CA 0.605 57.031 56.400 0.043 0.000 0.818 149 E CB -0.211 29.655 29.700 0.277 0.000 0.758 149 E HN 0.140 nan 8.360 nan 0.000 0.467 150 L N 1.172 122.355 121.223 -0.066 0.000 2.042 150 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 150 L C 2.259 179.069 176.870 -0.100 0.000 1.076 150 L CA 1.275 56.052 54.840 -0.104 0.000 0.749 150 L CB -0.734 41.364 42.059 0.065 0.000 0.893 150 L HN 0.114 nan 8.230 nan 0.000 0.432 151 L N -0.750 120.449 121.223 -0.040 0.000 2.017 151 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 151 L C 2.328 179.157 176.870 -0.068 0.000 1.073 151 L CA 1.764 56.589 54.840 -0.026 0.000 0.745 151 L CB -0.647 41.407 42.059 -0.009 0.000 0.894 151 L HN 0.233 nan 8.230 nan 0.000 0.432 152 I N -0.450 120.065 120.570 -0.092 0.000 2.315 152 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 152 I C 2.599 178.633 176.117 -0.138 0.000 1.117 152 I CA 1.347 62.583 61.300 -0.106 0.000 1.404 152 I CB -0.939 37.010 38.000 -0.084 0.000 1.071 152 I HN 0.289 nan 8.210 nan 0.000 0.419 153 I N 0.710 121.156 120.570 -0.207 0.000 2.179 153 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 153 I C 2.667 178.671 176.117 -0.190 0.000 1.088 153 I CA 1.576 62.716 61.300 -0.267 0.000 1.357 153 I CB -0.758 36.907 38.000 -0.557 0.000 1.051 153 I HN 0.214 nan 8.210 nan 0.000 0.409 154 G N 0.764 109.474 108.800 -0.150 0.000 2.418 154 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 154 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 154 G C 1.664 176.523 174.900 -0.068 0.000 1.158 154 G CA 0.596 45.646 45.100 -0.083 0.000 0.771 154 G HN 0.253 nan 8.290 nan 0.000 0.545 155 L N 1.412 122.602 121.223 -0.056 0.000 2.083 155 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 155 L C 2.965 179.775 176.870 -0.100 0.000 1.083 155 L CA 2.548 57.361 54.840 -0.044 0.000 0.752 155 L CB -0.366 41.646 42.059 -0.077 0.000 0.899 155 L HN 0.465 nan 8.230 nan 0.000 0.433 156 K N -1.574 118.748 120.400 -0.129 0.000 2.211 156 K HA -0.026 4.294 4.320 -0.000 0.000 0.203 156 K C 1.943 178.391 176.600 -0.253 0.000 1.050 156 K CA 1.290 57.483 56.287 -0.158 0.000 0.945 156 K CB -0.898 31.529 32.500 -0.123 0.000 0.732 156 K HN 0.296 nan 8.250 nan 0.000 0.451 157 G N 1.489 110.136 108.800 -0.256 0.000 2.402 157 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 157 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 157 G C 1.558 176.162 174.900 -0.494 0.000 1.162 157 G CA 0.811 45.669 45.100 -0.404 0.000 0.777 157 G HN 0.160 nan 8.290 nan 0.000 0.539 158 V N 1.659 121.434 119.914 -0.231 0.000 2.343 158 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 158 V C 3.333 179.342 176.094 -0.141 0.000 1.051 158 V CA 1.971 64.209 62.300 -0.104 0.000 1.036 158 V CB -0.870 30.956 31.823 0.005 0.000 0.654 158 V HN 0.471 nan 8.190 nan 0.000 0.451 159 A N 0.034 122.745 122.820 -0.182 0.000 1.940 159 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 159 A C 2.438 179.818 177.584 -0.339 0.000 1.176 159 A CA 2.168 54.097 52.037 -0.181 0.000 0.631 159 A CB -0.758 18.153 19.000 -0.148 0.000 0.814 159 A HN 0.578 nan 8.150 nan 0.000 0.446 160 A N -1.111 121.314 122.820 -0.659 0.000 1.877 160 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 160 A C 2.087 179.340 177.584 -0.552 0.000 1.186 160 A CA 1.660 52.962 52.037 -1.225 0.000 0.620 160 A CB -0.838 17.184 19.000 -1.630 0.000 0.822 160 A HN 0.548 nan 8.150 nan 0.000 0.443 161 Y N -0.122 120.023 120.300 -0.258 0.000 2.224 161 Y HA -0.062 4.488 4.550 0.000 0.000 0.289 161 Y C 2.937 178.818 175.900 -0.030 0.000 1.146 161 Y CA 0.285 58.357 58.100 -0.047 0.000 1.182 161 Y CB -1.151 37.282 38.460 -0.044 0.000 0.983 161 Y HN 0.331 nan 8.280 nan 0.000 0.524 162 A N -0.158 122.705 122.820 0.072 0.000 1.969 162 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 162 A C 2.172 179.779 177.584 0.039 0.000 1.169 162 A CA 1.742 53.812 52.037 0.054 0.000 0.635 162 A CB -0.553 18.464 19.000 0.029 0.000 0.810 162 A HN 0.366 nan 8.150 nan 0.000 0.445 163 E N -0.064 120.110 120.200 -0.044 0.000 2.077 163 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 163 E C 1.829 178.428 176.600 -0.001 0.000 0.989 163 E CA 1.652 58.035 56.400 -0.030 0.000 0.800 163 E CB -0.439 29.249 29.700 -0.020 0.000 0.746 163 E HN 0.711 nan 8.360 nan 0.000 0.452 164 H N -0.248 118.914 119.070 0.153 0.000 2.353 164 H HA -0.027 4.529 4.556 0.000 0.000 0.300 164 H C 1.922 177.335 175.328 0.141 0.000 1.090 164 H CA 1.503 57.651 56.048 0.168 0.000 1.327 164 H CB -0.578 29.288 29.762 0.174 0.000 1.383 164 H HN 0.356 nan 8.280 nan 0.000 0.508 165 A N 1.268 124.223 122.820 0.226 0.000 1.902 165 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 165 A C 2.721 180.442 177.584 0.228 0.000 1.181 165 A CA 1.779 53.925 52.037 0.182 0.000 0.623 165 A CB -0.804 18.278 19.000 0.137 0.000 0.818 165 A HN 0.439 nan 8.150 nan 0.000 0.443 166 A N -0.639 122.283 122.820 0.171 0.000 1.933 166 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 166 A C 2.197 179.869 177.584 0.148 0.000 1.175 166 A CA 1.672 53.795 52.037 0.143 0.000 0.628 166 A CB -0.946 18.113 19.000 0.098 0.000 0.814 166 A HN 0.392 nan 8.150 nan 0.000 0.444 167 V N -0.032 119.978 119.914 0.161 0.000 2.392 167 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 167 V C 2.227 178.431 176.094 0.183 0.000 1.059 167 V CA 1.925 64.324 62.300 0.165 0.000 1.051 167 V CB -0.545 31.399 31.823 0.203 0.000 0.658 167 V HN 0.583 nan 8.190 nan 0.000 0.455 168 L N -0.151 121.210 121.223 0.231 0.000 2.591 168 L HA 0.294 4.634 4.340 -0.000 0.000 0.228 168 L C 1.578 178.638 176.870 0.317 0.000 1.133 168 L CA 0.792 55.793 54.840 0.269 0.000 0.880 168 L CB -0.234 41.983 42.059 0.264 0.000 1.033 168 L HN 0.542 nan 8.230 nan 0.000 0.450 169 G N -0.287 108.637 108.800 0.208 0.000 2.132 169 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.234 169 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.234 169 G C -0.150 174.677 174.900 -0.121 0.000 0.989 169 G CA -0.498 44.618 45.100 0.026 0.000 0.676 169 G HN 0.163 nan 8.290 nan 0.000 0.522 170 F N 0.258 120.223 119.950 0.025 0.000 2.449 170 F HA 0.810 5.337 4.527 -0.000 0.000 0.342 170 F C 0.528 176.341 175.800 0.021 0.000 1.127 170 F CA -0.870 57.141 58.000 0.017 0.000 0.975 170 F CB 1.988 40.996 39.000 0.013 0.000 1.146 170 F HN 0.279 nan 8.300 nan 0.000 0.444 171 R N 2.479 123.054 120.500 0.125 0.000 2.668 171 R HA 0.608 4.948 4.340 -0.000 0.000 0.272 171 R C -1.929 174.408 176.300 0.062 0.000 1.019 171 R CA -0.842 55.310 56.100 0.087 0.000 0.894 171 R CB 1.808 32.140 30.300 0.053 0.000 1.228 171 R HN 0.647 nan 8.270 nan 0.000 0.460 172 K N 1.622 122.055 120.400 0.055 0.000 2.471 172 K HA 0.200 4.520 4.320 -0.000 0.000 0.252 172 K C 0.100 176.722 176.600 0.037 0.000 0.938 172 K CA -0.637 55.674 56.287 0.039 0.000 0.796 172 K CB 2.215 34.735 32.500 0.033 0.000 1.161 172 K HN 0.670 nan 8.250 nan 0.000 0.425 173 T N 1.678 116.251 114.554 0.031 0.000 2.737 173 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 173 T C 1.032 175.757 174.700 0.043 0.000 1.040 173 T CA 1.923 64.043 62.100 0.034 0.000 1.142 173 T CB 0.092 68.977 68.868 0.028 0.000 0.861 173 T HN 0.543 nan 8.240 nan 0.000 0.456 174 E N 0.654 120.877 120.200 0.037 0.000 2.110 174 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 174 E C 2.035 178.679 176.600 0.073 0.000 0.988 174 E CA 0.962 57.388 56.400 0.043 0.000 0.804 174 E CB -0.290 29.415 29.700 0.008 0.000 0.745 174 E HN 0.581 nan 8.360 nan 0.000 0.458 175 I N 1.162 121.768 120.570 0.060 0.000 2.142 175 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 175 I C 1.685 177.872 176.117 0.115 0.000 1.078 175 I CA 1.338 62.691 61.300 0.089 0.000 1.343 175 I CB -0.304 37.729 38.000 0.056 0.000 1.046 175 I HN 0.097 nan 8.210 nan 0.000 0.405 176 D N 0.661 121.107 120.400 0.077 0.000 2.144 176 D HA -0.181 4.459 4.640 -0.000 0.000 0.199 176 D C 1.989 178.324 176.300 0.059 0.000 0.984 176 D CA 1.258 55.294 54.000 0.060 0.000 0.834 176 D CB -0.176 40.654 40.800 0.049 0.000 0.955 176 D HN 0.486 nan 8.370 nan 0.000 0.465 177 E N 0.045 120.290 120.200 0.075 0.000 2.106 177 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 177 E C 1.852 178.507 176.600 0.092 0.000 0.984 177 E CA 0.419 56.862 56.400 0.072 0.000 0.806 177 E CB -0.148 29.600 29.700 0.080 0.000 0.750 177 E HN 0.184 nan 8.360 nan 0.000 0.458 178 F N 1.210 121.152 119.950 -0.014 0.000 2.234 178 F HA -0.177 4.350 4.527 0.000 0.000 0.299 178 F C 2.020 177.805 175.800 -0.025 0.000 1.087 178 F CA 1.076 59.064 58.000 -0.021 0.000 1.340 178 F CB -0.010 38.972 39.000 -0.030 0.000 1.031 178 F HN -0.039 nan 8.300 nan 0.000 0.500 179 M N -0.109 119.433 119.600 -0.096 0.000 2.108 179 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 179 M C 2.306 178.474 176.300 -0.220 0.000 1.066 179 M CA 1.636 56.830 55.300 -0.176 0.000 1.107 179 M CB -1.418 31.149 32.600 -0.055 0.000 1.356 179 M HN 0.239 nan 8.290 nan 0.000 0.406 180 L N -1.016 120.123 121.223 -0.142 0.000 2.179 180 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 180 L C 2.416 179.184 176.870 -0.171 0.000 1.096 180 L CA 0.872 55.636 54.840 -0.127 0.000 0.779 180 L CB -0.710 41.309 42.059 -0.066 0.000 0.922 180 L HN 0.390 nan 8.230 nan 0.000 0.443 181 E N 0.969 121.054 120.200 -0.192 0.000 2.051 181 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 181 E C 2.223 178.647 176.600 -0.295 0.000 0.991 181 E CA 1.391 57.681 56.400 -0.183 0.000 0.799 181 E CB 0.063 29.718 29.700 -0.075 0.000 0.748 181 E HN 0.424 nan 8.360 nan 0.000 0.449 182 A N 0.968 123.440 122.820 -0.580 0.000 1.873 182 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 182 A C 2.228 179.637 177.584 -0.292 0.000 1.186 182 A CA 1.088 52.800 52.037 -0.543 0.000 0.616 182 A CB -0.681 17.780 19.000 -0.898 0.000 0.823 182 A HN 0.312 nan 8.150 nan 0.000 0.442 183 L N -0.720 120.349 121.223 -0.257 0.000 2.046 183 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 183 L C 3.059 179.841 176.870 -0.146 0.000 1.077 183 L CA 1.120 55.859 54.840 -0.168 0.000 0.747 183 L CB -0.418 41.556 42.059 -0.141 0.000 0.896 183 L HN 0.437 nan 8.230 nan 0.000 0.432 184 A N -0.333 122.393 122.820 -0.156 0.000 1.969 184 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 184 A C 2.501 180.016 177.584 -0.116 0.000 1.169 184 A CA 1.637 53.587 52.037 -0.144 0.000 0.635 184 A CB -0.645 18.266 19.000 -0.149 0.000 0.810 184 A HN 0.522 nan 8.150 nan 0.000 0.445 185 S N 0.306 115.940 115.700 -0.109 0.000 2.419 185 S HA -0.180 4.290 4.470 -0.000 0.000 0.233 185 S C 1.818 176.383 174.600 -0.059 0.000 1.016 185 S CA 2.006 60.162 58.200 -0.073 0.000 0.974 185 S CB -1.401 61.761 63.200 -0.062 0.000 0.786 185 S HN 0.820 nan 8.310 nan 0.000 0.492 186 T N -0.570 113.943 114.554 -0.068 0.000 3.163 186 T HA 0.031 4.381 4.350 -0.000 0.000 0.260 186 T C 1.512 176.187 174.700 -0.041 0.000 1.156 186 T CA 1.097 63.170 62.100 -0.046 0.000 1.072 186 T CB -0.759 68.082 68.868 -0.045 0.000 0.937 186 T HN 0.663 nan 8.240 nan 0.000 0.528 187 T N -1.958 112.561 114.554 -0.058 0.000 3.069 187 T HA 0.361 4.711 4.350 -0.000 0.000 0.252 187 T C 0.357 175.030 174.700 -0.044 0.000 1.053 187 T CA -0.602 61.465 62.100 -0.055 0.000 0.964 187 T CB -0.011 68.803 68.868 -0.091 0.000 1.005 187 T HN 0.344 nan 8.240 nan 0.000 0.532 188 K N 1.293 121.671 120.400 -0.038 0.000 2.221 188 K HA 0.446 4.766 4.320 -0.000 0.000 0.243 188 K C -1.171 175.422 176.600 -0.013 0.000 0.968 188 K CA -0.918 55.354 56.287 -0.026 0.000 0.846 188 K CB 1.217 33.701 32.500 -0.026 0.000 1.141 188 K HN 0.088 nan 8.250 nan 0.000 0.434 189 D N 2.980 123.376 120.400 -0.006 0.000 2.428 189 D HA 0.226 4.866 4.640 -0.000 0.000 0.221 189 D C -0.396 175.907 176.300 0.004 0.000 1.123 189 D CA -0.057 53.943 54.000 -0.000 0.000 0.869 189 D CB 0.701 41.502 40.800 0.001 0.000 1.032 189 D HN 0.203 nan 8.370 nan 0.000 0.506 190 L N 0.943 122.170 121.223 0.007 0.000 2.322 190 L HA 0.341 4.681 4.340 -0.000 0.000 0.269 190 L C 1.145 178.024 176.870 0.016 0.000 1.012 190 L CA -0.939 53.909 54.840 0.012 0.000 0.815 190 L CB 1.664 43.732 42.059 0.014 0.000 1.295 190 L HN 0.251 nan 8.230 nan 0.000 0.438 191 S N 0.004 115.715 115.700 0.019 0.000 2.600 191 S HA 0.146 4.616 4.470 -0.000 0.000 0.265 191 S C 1.081 175.695 174.600 0.024 0.000 1.325 191 S CA -0.786 57.426 58.200 0.019 0.000 1.002 191 S CB 1.314 64.526 63.200 0.019 0.000 0.921 191 S HN 0.341 nan 8.310 nan 0.000 0.554 192 V N 1.401 121.329 119.914 0.023 0.000 2.287 192 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 192 V C 2.289 178.403 176.094 0.033 0.000 1.053 192 V CA 2.374 64.691 62.300 0.028 0.000 1.027 192 V CB -1.061 30.777 31.823 0.024 0.000 0.646 192 V HN 0.861 nan 8.190 nan 0.000 0.447 193 D N -0.226 120.191 120.400 0.029 0.000 2.123 193 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 193 D C 2.233 178.559 176.300 0.042 0.000 0.992 193 D CA 1.449 55.469 54.000 0.033 0.000 0.833 193 D CB -0.205 40.611 40.800 0.026 0.000 0.954 193 D HN 0.573 nan 8.370 nan 0.000 0.455 194 E N -0.119 120.104 120.200 0.039 0.000 2.051 194 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 194 E C 2.281 178.913 176.600 0.053 0.000 0.991 194 E CA 0.766 57.193 56.400 0.044 0.000 0.799 194 E CB -0.077 29.645 29.700 0.036 0.000 0.748 194 E HN 0.281 nan 8.360 nan 0.000 0.449 195 M N 0.245 119.873 119.600 0.047 0.000 2.117 195 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 195 M C 2.405 178.745 176.300 0.066 0.000 1.065 195 M CA 1.128 56.458 55.300 0.050 0.000 1.114 195 M CB -0.134 32.491 32.600 0.042 0.000 1.361 195 M HN 0.028 nan 8.290 nan 0.000 0.408 196 V N 0.281 120.236 119.914 0.068 0.000 2.427 196 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 196 V C 2.611 178.764 176.094 0.099 0.000 1.051 196 V CA 1.847 64.198 62.300 0.085 0.000 1.048 196 V CB -1.141 30.731 31.823 0.081 0.000 0.666 196 V HN 0.506 nan 8.190 nan 0.000 0.456 197 A N -0.283 122.590 122.820 0.089 0.000 1.933 197 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 197 A C 2.206 179.860 177.584 0.116 0.000 1.175 197 A CA 1.661 53.757 52.037 0.098 0.000 0.628 197 A CB -0.491 18.558 19.000 0.081 0.000 0.814 197 A HN 0.507 nan 8.150 nan 0.000 0.444 198 L N -0.778 120.520 121.223 0.125 0.000 2.093 198 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 198 L C 2.505 179.496 176.870 0.201 0.000 1.085 198 L CA 0.883 55.835 54.840 0.186 0.000 0.755 198 L CB -0.397 41.751 42.059 0.147 0.000 0.904 198 L HN 0.243 nan 8.230 nan 0.000 0.435 199 V N -0.646 119.350 119.914 0.136 0.000 2.343 199 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 199 V C 2.520 178.673 176.094 0.097 0.000 1.051 199 V CA 1.472 63.838 62.300 0.111 0.000 1.036 199 V CB -0.369 31.504 31.823 0.083 0.000 0.654 199 V HN 0.367 nan 8.190 nan 0.000 0.451 200 M N -0.355 119.316 119.600 0.118 0.000 2.229 200 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 200 M C 2.139 178.508 176.300 0.115 0.000 1.063 200 M CA 1.545 56.938 55.300 0.155 0.000 1.114 200 M CB -1.212 31.509 32.600 0.203 0.000 1.387 200 M HN 0.318 nan 8.290 nan 0.000 0.420 201 K N 0.367 120.787 120.400 0.034 0.000 2.097 201 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 201 K C 1.937 178.264 176.600 -0.455 0.000 1.049 201 K CA 1.449 57.625 56.287 -0.184 0.000 0.933 201 K CB 0.017 32.428 32.500 -0.149 0.000 0.717 201 K HN 0.230 nan 8.250 nan 0.000 0.442 202 A N 0.646 123.352 122.820 -0.191 0.000 1.933 202 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 202 A C 2.320 179.807 177.584 -0.163 0.000 1.175 202 A CA 1.790 53.771 52.037 -0.095 0.000 0.628 202 A CB -1.092 18.043 19.000 0.225 0.000 0.814 202 A HN 0.540 nan 8.150 nan 0.000 0.444 203 G N -0.548 108.175 108.800 -0.128 0.000 2.418 203 G HA2 0.025 3.985 3.960 -0.000 0.000 0.217 203 G HA3 0.025 3.985 3.960 -0.000 0.000 0.217 203 G C 1.493 176.138 174.900 -0.426 0.000 1.158 203 G CA 1.215 46.239 45.100 -0.127 0.000 0.771 203 G HN 0.689 nan 8.290 nan 0.000 0.545 204 G N 0.394 108.655 108.800 -0.898 0.000 2.408 204 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 204 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 204 G C 1.768 176.221 174.900 -0.745 0.000 1.150 204 G CA 0.917 45.039 45.100 -1.629 0.000 0.776 204 G HN 0.274 nan 8.290 nan 0.000 0.542 205 M N 1.121 120.390 119.600 -0.553 0.000 2.319 205 M HA 0.210 4.690 4.480 -0.000 0.000 0.265 205 M C 2.874 179.054 176.300 -0.199 0.000 1.068 205 M CA 0.708 55.787 55.300 -0.369 0.000 1.118 205 M CB -1.045 31.284 32.600 -0.452 0.000 1.395 205 M HN 0.297 nan 8.290 nan 0.000 0.435 206 A N 0.079 122.799 122.820 -0.167 0.000 1.898 206 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 206 A C 2.454 180.012 177.584 -0.043 0.000 1.181 206 A CA 1.540 53.554 52.037 -0.039 0.000 0.620 206 A CB -0.892 18.112 19.000 0.007 0.000 0.819 206 A HN 0.263 nan 8.150 nan 0.000 0.442 207 V N -0.210 119.639 119.914 -0.108 0.000 2.255 207 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 207 V C 2.757 178.805 176.094 -0.075 0.000 1.051 207 V CA 2.583 64.867 62.300 -0.028 0.000 1.018 207 V CB -1.405 30.398 31.823 -0.034 0.000 0.641 207 V HN 0.601 nan 8.190 nan 0.000 0.445 208 T N -0.246 114.228 114.554 -0.132 0.000 2.665 208 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 208 T C 1.923 176.554 174.700 -0.116 0.000 1.035 208 T CA 2.323 64.355 62.100 -0.114 0.000 1.151 208 T CB -0.459 68.338 68.868 -0.120 0.000 0.862 208 T HN 0.592 nan 8.240 nan 0.000 0.438 209 T N 2.053 116.555 114.554 -0.086 0.000 2.777 209 T HA 0.049 4.399 4.350 -0.000 0.000 0.266 209 T C 2.076 176.706 174.700 -0.118 0.000 1.040 209 T CA 1.052 63.124 62.100 -0.048 0.000 1.141 209 T CB -0.329 68.560 68.868 0.034 0.000 0.868 209 T HN 0.345 nan 8.240 nan 0.000 0.444 210 M N 1.119 120.615 119.600 -0.173 0.000 2.159 210 M HA 0.005 4.485 4.480 -0.000 0.000 0.263 210 M C 2.811 178.706 176.300 -0.677 0.000 1.063 210 M CA 1.403 56.495 55.300 -0.347 0.000 1.110 210 M CB -0.480 32.003 32.600 -0.195 0.000 1.374 210 M HN 0.286 nan 8.290 nan 0.000 0.411 211 A N 0.411 122.747 122.820 -0.806 0.000 1.902 211 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 211 A C 2.122 179.427 177.584 -0.466 0.000 1.181 211 A CA 1.352 52.789 52.037 -1.000 0.000 0.623 211 A CB -0.748 17.947 19.000 -0.508 0.000 0.818 211 A HN 0.422 nan 8.150 nan 0.000 0.443 212 L N -0.892 120.168 121.223 -0.271 0.000 2.046 212 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 212 L C 2.230 178.979 176.870 -0.201 0.000 1.077 212 L CA 1.818 56.571 54.840 -0.146 0.000 0.747 212 L CB -0.513 41.525 42.059 -0.035 0.000 0.896 212 L HN 0.360 nan 8.230 nan 0.000 0.432 213 L N -0.466 120.646 121.223 -0.186 0.000 2.093 213 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 213 L C 2.234 179.002 176.870 -0.170 0.000 1.085 213 L CA 2.008 56.760 54.840 -0.147 0.000 0.755 213 L CB -1.074 40.927 42.059 -0.097 0.000 0.904 213 L HN 0.508 nan 8.230 nan 0.000 0.435 214 D N -0.632 119.646 120.400 -0.203 0.000 2.117 214 D HA -0.289 4.351 4.640 -0.000 0.000 0.197 214 D C 1.914 178.170 176.300 -0.072 0.000 0.987 214 D CA 1.503 55.465 54.000 -0.064 0.000 0.829 214 D CB 0.117 40.906 40.800 -0.020 0.000 0.961 214 D HN 0.648 nan 8.370 nan 0.000 0.460 215 E N 0.152 120.244 120.200 -0.180 0.000 2.077 215 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 215 E C 2.083 178.366 176.600 -0.528 0.000 0.989 215 E CA 1.098 57.358 56.400 -0.233 0.000 0.800 215 E CB -0.113 29.470 29.700 -0.194 0.000 0.746 215 E HN 0.281 nan 8.360 nan 0.000 0.452 216 A N 1.446 123.765 122.820 -0.834 0.000 1.865 216 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 216 A C 2.017 179.328 177.584 -0.456 0.000 1.191 216 A CA 1.788 53.136 52.037 -1.150 0.000 0.623 216 A CB -0.741 17.826 19.000 -0.723 0.000 0.826 216 A HN 0.287 nan 8.150 nan 0.000 0.444 217 N N -0.237 118.343 118.700 -0.199 0.000 2.120 217 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 217 N C 2.014 177.552 175.510 0.047 0.000 1.024 217 N CA 2.317 55.361 53.050 -0.011 0.000 0.852 217 N CB -0.801 37.757 38.487 0.117 0.000 1.003 217 N HN 0.726 nan 8.380 nan 0.000 0.424 218 T N -2.565 112.023 114.554 0.056 0.000 2.904 218 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 218 T C 1.949 176.629 174.700 -0.032 0.000 1.059 218 T CA 1.303 63.450 62.100 0.079 0.000 1.137 218 T CB -0.687 68.202 68.868 0.034 0.000 0.879 218 T HN 0.014 nan 8.240 nan 0.000 0.467 219 T N 2.126 116.622 114.554 -0.097 0.000 2.777 219 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 219 T C 2.172 176.797 174.700 -0.125 0.000 1.040 219 T CA 1.872 63.931 62.100 -0.068 0.000 1.141 219 T CB -0.741 68.132 68.868 0.009 0.000 0.868 219 T HN 0.532 nan 8.240 nan 0.000 0.444 220 T N 0.576 114.966 114.554 -0.275 0.000 2.809 220 T HA -0.006 4.344 4.350 -0.000 0.000 0.260 220 T C 0.978 175.266 174.700 -0.686 0.000 1.039 220 T CA 0.976 62.740 62.100 -0.559 0.000 1.141 220 T CB -0.220 68.116 68.868 -0.886 0.000 0.869 220 T HN 0.431 nan 8.240 nan 0.000 0.437 221 Y N 0.862 121.096 120.300 -0.109 0.000 2.557 221 Y HA 0.518 5.068 4.550 -0.000 0.000 0.247 221 Y C 1.301 177.169 175.900 -0.054 0.000 1.164 221 Y CA -0.647 57.318 58.100 -0.226 0.000 1.218 221 Y CB 0.070 38.144 38.460 -0.644 0.000 1.210 221 Y HN 0.363 nan 8.280 nan 0.000 0.529 222 G N 0.958 109.805 108.800 0.078 0.000 2.746 222 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.685 222 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.685 222 G C -0.792 174.133 174.900 0.040 0.000 1.350 222 G CA -0.989 44.133 45.100 0.035 0.000 0.837 222 G HN 0.341 nan 8.290 nan 0.000 0.564 223 N N 1.895 120.519 118.700 -0.127 0.000 2.497 223 N HA 0.495 5.235 4.740 -0.000 0.000 0.271 223 N C -2.271 173.083 175.510 -0.260 0.000 1.142 223 N CA -0.864 52.056 53.050 -0.217 0.000 0.965 223 N CB 0.938 39.202 38.487 -0.373 0.000 1.077 223 N HN 0.397 nan 8.380 nan 0.000 0.462 224 P HA -0.046 nan 4.420 nan 0.000 0.267 224 P C -0.863 176.273 177.300 -0.274 0.000 1.201 224 P CA 0.354 63.187 63.100 -0.446 0.000 0.775 224 P CB 0.507 31.928 31.700 -0.466 0.000 0.854 225 E N 1.271 121.319 120.200 -0.253 0.000 2.429 225 E HA 0.433 4.783 4.350 -0.000 0.000 0.276 225 E C -0.735 175.630 176.600 -0.392 0.000 0.953 225 E CA -1.039 55.199 56.400 -0.271 0.000 0.787 225 E CB 0.921 30.525 29.700 -0.159 0.000 1.307 225 E HN 0.147 nan 8.360 nan 0.000 0.458 226 I N 1.600 121.875 120.570 -0.492 0.000 2.906 226 I HA -0.022 4.148 4.170 -0.000 0.000 0.301 226 I C -0.378 175.557 176.117 -0.303 0.000 1.221 226 I CA 1.191 62.151 61.300 -0.566 0.000 1.435 226 I CB -0.032 37.695 38.000 -0.455 0.000 1.345 226 I HN 0.482 nan 8.210 nan 0.000 0.558 227 T N 5.997 120.390 114.554 -0.268 0.000 2.952 227 T HA 0.226 4.576 4.350 -0.000 0.000 0.305 227 T C -0.701 173.981 174.700 -0.030 0.000 1.064 227 T CA -0.693 61.356 62.100 -0.086 0.000 1.008 227 T CB 1.799 70.705 68.868 0.063 0.000 1.078 227 T HN 0.550 nan 8.240 nan 0.000 0.459 228 Q N 2.528 122.320 119.800 -0.013 0.000 2.303 228 Q HA 0.574 4.914 4.340 -0.000 0.000 0.257 228 Q C -1.205 174.802 176.000 0.012 0.000 0.941 228 Q CA -0.520 55.288 55.803 0.010 0.000 0.931 228 Q CB 0.758 29.497 28.738 0.001 0.000 1.215 228 Q HN 0.480 nan 8.270 nan 0.000 0.437 229 V N 4.599 124.538 119.914 0.041 0.000 2.398 229 V HA 0.193 4.313 4.120 -0.000 0.000 0.286 229 V C 0.114 176.216 176.094 0.013 0.000 1.026 229 V CA -0.950 61.358 62.300 0.012 0.000 0.868 229 V CB 1.422 33.281 31.823 0.060 0.000 0.982 229 V HN 0.759 nan 8.190 nan 0.000 0.443 230 N N 3.919 122.611 118.700 -0.015 0.000 2.513 230 N HA 0.208 4.948 4.740 -0.000 0.000 0.268 230 N C 0.489 176.040 175.510 0.068 0.000 1.180 230 N CA -0.125 52.938 53.050 0.020 0.000 0.948 230 N CB 0.826 39.316 38.487 0.004 0.000 1.083 230 N HN 0.721 nan 8.380 nan 0.000 0.455 231 I N -0.370 120.252 120.570 0.087 0.000 4.081 231 I HA 0.520 4.690 4.170 -0.000 0.000 0.333 231 I C 0.835 177.035 176.117 0.139 0.000 1.413 231 I CA -0.686 60.684 61.300 0.118 0.000 1.110 231 I CB 0.304 38.350 38.000 0.077 0.000 1.082 231 I HN 0.314 nan 8.210 nan 0.000 0.402 232 G N 1.648 110.531 108.800 0.139 0.000 2.532 232 G HA2 0.591 4.551 3.960 -0.000 0.000 0.291 232 G HA3 0.591 4.551 3.960 -0.000 0.000 0.291 232 G C -0.297 174.758 174.900 0.258 0.000 1.349 232 G CA 0.044 45.236 45.100 0.152 0.000 1.038 232 G HN 0.225 nan 8.290 nan 0.000 0.518 233 V N -2.909 117.149 119.914 0.241 0.000 3.113 233 V HA 0.973 5.093 4.120 -0.000 0.000 0.316 233 V C 0.640 176.866 176.094 0.219 0.000 1.125 233 V CA -0.104 62.396 62.300 0.332 0.000 1.026 233 V CB 1.302 33.269 31.823 0.240 0.000 1.080 233 V HN 1.115 nan 8.190 nan 0.000 0.444 234 G N 0.300 109.257 108.800 0.262 0.000 2.606 234 G HA2 0.510 4.470 3.960 -0.000 0.000 0.262 234 G HA3 0.510 4.470 3.960 -0.000 0.000 0.262 234 G C 0.006 174.967 174.900 0.102 0.000 1.394 234 G CA -0.641 44.544 45.100 0.143 0.000 1.044 234 G HN 0.821 nan 8.290 nan 0.000 0.553 235 K N -0.198 120.241 120.400 0.065 0.000 2.374 235 K HA 0.190 4.510 4.320 -0.000 0.000 0.202 235 K C -0.133 176.477 176.600 0.018 0.000 1.040 235 K CA -0.290 56.015 56.287 0.031 0.000 1.085 235 K CB 0.403 32.917 32.500 0.023 0.000 0.873 235 K HN 0.195 nan 8.250 nan 0.000 0.539 236 N N 1.670 120.392 118.700 0.038 0.000 2.477 236 N HA 0.297 5.037 4.740 -0.000 0.000 0.284 236 N C -2.668 172.839 175.510 -0.005 0.000 1.182 236 N CA -1.879 51.185 53.050 0.022 0.000 0.949 236 N CB 0.819 39.335 38.487 0.049 0.000 1.204 236 N HN -0.117 nan 8.380 nan 0.000 0.526 237 P HA 0.180 nan 4.420 nan 0.000 0.269 237 P C -0.230 177.057 177.300 -0.022 0.000 1.215 237 P CA -0.108 62.937 63.100 -0.091 0.000 0.780 237 P CB 0.575 32.235 31.700 -0.067 0.000 0.898 238 G N 0.600 109.351 108.800 -0.082 0.000 2.798 238 G HA2 0.706 4.666 3.960 -0.000 0.000 0.286 238 G HA3 0.706 4.666 3.960 -0.000 0.000 0.286 238 G C -1.490 173.566 174.900 0.261 0.000 1.389 238 G CA -0.857 44.352 45.100 0.181 0.000 0.894 238 G HN 0.404 nan 8.290 nan 0.000 0.488 239 I N 0.218 120.963 120.570 0.291 0.000 2.436 239 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 239 I C -1.062 174.995 176.117 -0.100 0.000 1.010 239 I CA -0.729 60.620 61.300 0.081 0.000 1.098 239 I CB 2.185 40.105 38.000 -0.132 0.000 1.266 239 I HN 0.229 nan 8.210 nan 0.000 0.434 240 L N 8.004 128.893 121.223 -0.557 0.000 2.265 240 L HA 0.547 4.887 4.340 -0.000 0.000 0.289 240 L C -0.683 175.868 176.870 -0.532 0.000 1.033 240 L CA -0.045 54.287 54.840 -0.846 0.000 0.814 240 L CB 1.030 42.084 42.059 -1.676 0.000 1.203 240 L HN 0.504 nan 8.230 nan 0.000 0.423 241 I N 4.106 124.458 120.570 -0.363 0.000 2.377 241 I HA 0.540 4.710 4.170 -0.000 0.000 0.293 241 I C -0.348 175.672 176.117 -0.163 0.000 0.987 241 I CA 0.153 61.269 61.300 -0.307 0.000 1.185 241 I CB 1.457 39.239 38.000 -0.364 0.000 1.341 241 I HN 0.711 nan 8.210 nan 0.000 0.455 242 S N 4.151 119.794 115.700 -0.094 0.000 2.704 242 S HA 0.973 5.443 4.470 -0.000 0.000 0.296 242 S C -0.148 174.508 174.600 0.093 0.000 1.138 242 S CA 0.341 58.596 58.200 0.093 0.000 0.875 242 S CB 1.488 64.819 63.200 0.218 0.000 1.151 242 S HN 1.321 nan 8.310 nan 0.000 0.500 243 G N 1.581 110.466 108.800 0.143 0.000 2.484 243 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.225 243 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.225 243 G C -0.304 174.622 174.900 0.044 0.000 1.250 243 G CA 0.545 45.761 45.100 0.194 0.000 0.926 243 G HN 0.882 nan 8.290 nan 0.000 0.581 244 H N 0.070 119.206 119.070 0.111 0.000 3.440 244 H HA 0.303 4.859 4.556 0.000 0.000 0.259 244 H C 0.369 175.615 175.328 -0.137 0.000 1.120 244 H CA 0.245 56.289 56.048 -0.006 0.000 1.191 244 H CB 0.725 30.459 29.762 -0.047 0.000 1.537 244 H HN 0.435 nan 8.280 nan 0.000 0.547 245 D N 1.723 122.176 120.400 0.087 0.000 2.338 245 D HA 0.006 4.646 4.640 -0.000 0.000 0.255 245 D C 1.004 177.306 176.300 0.002 0.000 1.237 245 D CA 0.051 54.101 54.000 0.083 0.000 0.883 245 D CB 0.947 41.917 40.800 0.283 0.000 1.087 245 D HN 0.326 nan 8.370 nan 0.000 0.485 246 L N 3.841 125.060 121.223 -0.008 0.000 2.313 246 L HA -0.055 4.285 4.340 -0.000 0.000 0.214 246 L C 2.475 179.294 176.870 -0.084 0.000 1.119 246 L CA 0.468 55.243 54.840 -0.109 0.000 0.809 246 L CB -0.140 41.855 42.059 -0.105 0.000 0.933 246 L HN 0.380 nan 8.230 nan 0.000 0.449 247 K N 0.387 120.871 120.400 0.140 0.000 2.097 247 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 247 K C 1.524 178.181 176.600 0.094 0.000 1.050 247 K CA 1.334 57.749 56.287 0.212 0.000 0.938 247 K CB 0.151 32.812 32.500 0.268 0.000 0.718 247 K HN 0.186 nan 8.250 nan 0.000 0.442 248 D N 0.692 121.136 120.400 0.073 0.000 2.117 248 D HA -0.194 4.445 4.640 -0.000 0.000 0.197 248 D C 1.767 177.986 176.300 -0.135 0.000 0.987 248 D CA 1.133 55.186 54.000 0.088 0.000 0.829 248 D CB -0.135 40.725 40.800 0.100 0.000 0.961 248 D HN 0.202 nan 8.370 nan 0.000 0.460 249 M N 1.258 120.660 119.600 -0.330 0.000 2.086 249 M HA -0.061 4.419 4.480 -0.000 0.000 0.261 249 M C 1.948 177.813 176.300 -0.726 0.000 1.067 249 M CA 1.460 56.367 55.300 -0.654 0.000 1.116 249 M CB -0.626 31.433 32.600 -0.901 0.000 1.348 249 M HN -0.026 nan 8.290 nan 0.000 0.407 250 A N -0.279 122.216 122.820 -0.543 0.000 1.908 250 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 250 A C 2.066 179.599 177.584 -0.086 0.000 1.181 250 A CA 2.174 54.093 52.037 -0.196 0.000 0.627 250 A CB -0.961 18.158 19.000 0.199 0.000 0.818 250 A HN 0.705 nan 8.150 nan 0.000 0.445 251 E N -0.927 119.274 120.200 0.001 0.000 2.106 251 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 251 E C 1.955 178.601 176.600 0.076 0.000 0.984 251 E CA 1.046 57.509 56.400 0.105 0.000 0.806 251 E CB -0.233 29.596 29.700 0.214 0.000 0.750 251 E HN 0.506 nan 8.360 nan 0.000 0.458 252 L N 1.040 122.204 121.223 -0.098 0.000 2.046 252 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 252 L C 2.019 178.704 176.870 -0.309 0.000 1.077 252 L CA 1.489 56.132 54.840 -0.328 0.000 0.747 252 L CB -0.247 41.398 42.059 -0.691 0.000 0.896 252 L HN 0.100 nan 8.230 nan 0.000 0.432 253 L N -0.468 120.479 121.223 -0.461 0.000 2.046 253 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 253 L C 2.671 179.286 176.870 -0.426 0.000 1.077 253 L CA 1.763 56.231 54.840 -0.621 0.000 0.747 253 L CB -0.625 40.767 42.059 -1.111 0.000 0.896 253 L HN 0.320 nan 8.230 nan 0.000 0.432 254 K N 0.059 120.314 120.400 -0.241 0.000 2.057 254 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 254 K C 2.074 178.680 176.600 0.011 0.000 1.049 254 K CA 1.533 57.821 56.287 0.002 0.000 0.931 254 K CB 0.010 32.568 32.500 0.096 0.000 0.714 254 K HN 0.369 nan 8.250 nan 0.000 0.440 255 Q N -0.477 119.323 119.800 0.000 0.000 2.297 255 Q HA -0.066 4.274 4.340 -0.000 0.000 0.204 255 Q C 1.607 177.592 176.000 -0.024 0.000 0.962 255 Q CA 1.652 57.464 55.803 0.015 0.000 0.879 255 Q CB 0.279 29.062 28.738 0.074 0.000 0.947 255 Q HN 0.494 nan 8.270 nan 0.000 0.462 256 T N -2.497 112.028 114.554 -0.048 0.000 3.081 256 T HA 0.055 4.405 4.350 -0.000 0.000 0.250 256 T C 0.540 175.084 174.700 -0.260 0.000 1.100 256 T CA -0.247 61.811 62.100 -0.071 0.000 1.038 256 T CB 0.163 69.043 68.868 0.020 0.000 0.962 256 T HN 0.109 nan 8.240 nan 0.000 0.516 257 E N 1.169 121.217 120.200 -0.252 0.000 2.415 257 E HA 0.354 4.704 4.350 -0.000 0.000 0.263 257 E C 1.172 177.635 176.600 -0.228 0.000 0.995 257 E CA 0.620 56.785 56.400 -0.392 0.000 0.915 257 E CB -0.224 29.478 29.700 0.004 0.000 0.951 257 E HN 0.506 nan 8.360 nan 0.000 0.449 258 G N 3.178 111.832 108.800 -0.243 0.000 2.155 258 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 258 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 258 G C 0.744 175.589 174.900 -0.092 0.000 0.983 258 G CA 0.883 45.912 45.100 -0.117 0.000 0.676 258 G HN 0.699 nan 8.290 nan 0.000 0.528 259 T N -3.256 111.228 114.554 -0.117 0.000 3.022 259 T HA 0.454 4.804 4.350 -0.000 0.000 0.250 259 T C 2.293 176.965 174.700 -0.046 0.000 1.060 259 T CA 1.537 63.596 62.100 -0.068 0.000 1.013 259 T CB 0.527 69.356 68.868 -0.064 0.000 0.982 259 T HN 2.129 nan 8.240 nan 0.000 0.508 260 G N 0.729 109.499 108.800 -0.049 0.000 2.157 260 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.248 260 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.248 260 G C -0.053 174.850 174.900 0.005 0.000 0.979 260 G CA -0.053 45.038 45.100 -0.016 0.000 0.650 260 G HN 0.736 nan 8.290 nan 0.000 0.529 261 V N 1.431 121.349 119.914 0.006 0.000 2.417 261 V HA 0.511 4.631 4.120 -0.000 0.000 0.291 261 V C -0.132 176.036 176.094 0.123 0.000 1.024 261 V CA -1.030 61.296 62.300 0.043 0.000 0.861 261 V CB 1.722 33.554 31.823 0.015 0.000 0.985 261 V HN 0.225 nan 8.190 nan 0.000 0.436 262 D N 2.604 123.095 120.400 0.152 0.000 2.348 262 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 262 D C -0.404 175.978 176.300 0.135 0.000 1.110 262 D CA -0.100 54.000 54.000 0.166 0.000 0.967 262 D CB 2.143 43.015 40.800 0.120 0.000 1.139 262 D HN 0.252 nan 8.370 nan 0.000 0.466 263 V N 1.720 121.606 119.914 -0.046 0.000 2.495 263 V HA 0.342 4.462 4.120 -0.000 0.000 0.298 263 V C -1.011 175.030 176.094 -0.089 0.000 1.031 263 V CA -0.626 61.604 62.300 -0.116 0.000 0.871 263 V CB 0.969 32.539 31.823 -0.421 0.000 0.988 263 V HN 0.384 nan 8.190 nan 0.000 0.432 264 Y N 1.562 121.844 120.300 -0.030 0.000 2.499 264 Y HA 0.642 5.192 4.550 -0.000 0.000 0.347 264 Y C 0.723 176.590 175.900 -0.056 0.000 0.987 264 Y CA -0.788 57.352 58.100 0.068 0.000 1.044 264 Y CB 2.324 40.847 38.460 0.105 0.000 1.245 264 Y HN 0.721 nan 8.280 nan 0.000 0.461 265 T N -1.105 113.591 114.554 0.237 0.000 2.927 265 T HA 0.453 4.803 4.350 -0.000 0.000 0.281 265 T C -1.013 173.792 174.700 0.176 0.000 0.998 265 T CA -0.615 61.550 62.100 0.109 0.000 1.019 265 T CB 1.802 70.745 68.868 0.126 0.000 1.061 265 T HN 0.776 nan 8.240 nan 0.000 0.518 266 H N -1.080 117.997 119.070 0.013 0.000 2.930 266 H HA 0.478 5.034 4.556 -0.000 0.000 0.371 266 H C 0.877 176.232 175.328 0.045 0.000 1.169 266 H CA 0.381 56.455 56.048 0.042 0.000 1.157 266 H CB 1.422 31.215 29.762 0.052 0.000 1.789 266 H HN 1.096 nan 8.280 nan 0.000 0.547 267 G N 3.884 112.279 108.800 -0.674 0.000 2.634 267 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.318 267 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.318 267 G C 0.768 175.679 174.900 0.019 0.000 1.207 267 G CA 0.708 45.573 45.100 -0.393 0.000 0.987 267 G HN 0.655 nan 8.290 nan 0.000 0.547 268 E N 0.625 120.801 120.200 -0.040 0.000 2.511 268 E HA 0.109 4.459 4.350 -0.000 0.000 0.196 268 E C 2.316 178.826 176.600 -0.151 0.000 1.066 268 E CA 0.308 56.612 56.400 -0.160 0.000 0.871 268 E CB -0.053 29.286 29.700 -0.601 0.000 0.863 268 E HN 0.437 nan 8.360 nan 0.000 0.520 269 M N 0.074 119.631 119.600 -0.072 0.000 2.561 269 M HA 0.016 4.496 4.480 -0.000 0.000 0.238 269 M C 1.905 178.186 176.300 -0.031 0.000 1.131 269 M CA 0.100 55.364 55.300 -0.061 0.000 1.046 269 M CB -0.615 31.941 32.600 -0.072 0.000 1.532 269 M HN 0.102 nan 8.290 nan 0.000 0.497 270 L N 2.451 123.664 121.223 -0.017 0.000 2.013 270 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 270 L C -0.961 175.726 176.870 -0.305 0.000 1.073 270 L CA 2.445 57.248 54.840 -0.062 0.000 0.753 270 L CB -1.867 40.193 42.059 0.002 0.000 0.890 270 L HN 0.099 nan 8.230 nan 0.000 0.432 271 P HA -0.057 nan 4.420 nan 0.000 0.225 271 P C 1.442 178.679 177.300 -0.106 0.000 1.148 271 P CA 1.425 64.221 63.100 -0.507 0.000 0.779 271 P CB -0.250 31.449 31.700 -0.001 0.000 0.780 272 A N 0.022 122.901 122.820 0.099 0.000 2.024 272 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 272 A C 2.081 179.987 177.584 0.537 0.000 1.164 272 A CA 1.415 53.674 52.037 0.371 0.000 0.643 272 A CB -1.283 17.750 19.000 0.056 0.000 0.806 272 A HN 0.200 nan 8.150 nan 0.000 0.451 273 N N -1.097 117.742 118.700 0.231 0.000 2.381 273 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 273 N C 0.694 176.308 175.510 0.172 0.000 1.025 273 N CA 1.213 54.313 53.050 0.084 0.000 0.888 273 N CB -0.210 38.179 38.487 -0.162 0.000 0.965 273 N HN 0.635 nan 8.380 nan 0.000 0.438 274 Y N -0.537 119.855 120.300 0.154 0.000 2.523 274 Y HA 0.139 4.689 4.550 -0.000 0.000 0.279 274 Y C 0.214 176.066 175.900 -0.080 0.000 1.139 274 Y CA -0.700 57.380 58.100 -0.034 0.000 1.296 274 Y CB -0.781 37.584 38.460 -0.158 0.000 1.045 274 Y HN -0.061 nan 8.280 nan 0.000 0.538 275 Y N 1.502 121.907 120.300 0.173 0.000 2.316 275 Y HA 0.229 4.779 4.550 -0.000 0.000 0.331 275 Y C -1.277 174.608 175.900 -0.024 0.000 1.083 275 Y CA -2.661 55.445 58.100 0.010 0.000 1.206 275 Y CB 0.664 39.014 38.460 -0.183 0.000 1.195 275 Y HN -0.104 nan 8.280 nan 0.000 0.497 276 P HA -0.268 nan 4.420 nan 0.000 0.216 276 P C 1.176 178.502 177.300 0.044 0.000 1.150 276 P CA 2.325 65.452 63.100 0.045 0.000 0.843 276 P CB 0.197 31.901 31.700 0.006 0.000 0.787 277 A N -1.756 121.047 122.820 -0.028 0.000 2.019 277 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 277 A C 1.575 179.264 177.584 0.175 0.000 1.164 277 A CA 1.465 53.491 52.037 -0.019 0.000 0.644 277 A CB -1.405 17.557 19.000 -0.063 0.000 0.805 277 A HN 0.110 nan 8.150 nan 0.000 0.449 278 F N -0.692 119.427 119.950 0.281 0.000 2.678 278 F HA 0.219 4.746 4.527 -0.000 0.000 0.291 278 F C 1.821 177.893 175.800 0.454 0.000 1.123 278 F CA 0.194 58.425 58.000 0.385 0.000 1.395 278 F CB -0.299 38.868 39.000 0.279 0.000 1.121 278 F HN 0.092 nan 8.300 nan 0.000 0.592 279 K N 1.108 121.756 120.400 0.413 0.000 2.442 279 K HA -0.123 4.197 4.320 -0.000 0.000 0.198 279 K C 1.730 178.422 176.600 0.153 0.000 1.042 279 K CA 0.773 57.194 56.287 0.223 0.000 0.958 279 K CB -0.138 32.429 32.500 0.112 0.000 0.766 279 K HN 0.340 nan 8.250 nan 0.000 0.474 280 K N -0.303 120.167 120.400 0.116 0.000 2.459 280 K HA -0.039 4.281 4.320 -0.000 0.000 0.193 280 K C -0.393 176.159 176.600 -0.081 0.000 1.030 280 K CA 0.423 56.686 56.287 -0.041 0.000 1.026 280 K CB 0.115 32.523 32.500 -0.154 0.000 0.809 280 K HN -0.035 nan 8.250 nan 0.000 0.504 281 Y N 1.565 121.974 120.300 0.181 0.000 2.385 281 Y HA 0.252 4.802 4.550 0.000 0.000 0.341 281 Y C -1.771 174.228 175.900 0.165 0.000 0.965 281 Y CA -2.732 55.491 58.100 0.206 0.000 1.180 281 Y CB 1.587 40.160 38.460 0.187 0.000 1.139 281 Y HN -0.015 nan 8.280 nan 0.000 0.502 282 P HA -0.177 nan 4.420 nan 0.000 0.222 282 P C 1.095 178.513 177.300 0.198 0.000 1.147 282 P CA 1.493 64.704 63.100 0.184 0.000 0.790 282 P CB 0.102 31.884 31.700 0.137 0.000 0.780 283 H N -2.529 116.621 119.070 0.134 0.000 2.547 283 H HA 0.042 4.598 4.556 -0.000 0.000 0.266 283 H C 0.140 175.515 175.328 0.078 0.000 0.988 283 H CA -0.287 55.804 56.048 0.072 0.000 1.147 283 H CB -0.795 28.997 29.762 0.049 0.000 1.365 283 H HN 0.047 nan 8.280 nan 0.000 0.589 284 F N 3.059 122.759 119.950 -0.416 0.000 2.464 284 F HA 0.236 4.763 4.527 -0.000 0.000 0.353 284 F C 0.608 176.241 175.800 -0.278 0.000 1.191 284 F CA -1.019 56.740 58.000 -0.402 0.000 1.147 284 F CB 0.082 38.900 39.000 -0.303 0.000 1.294 284 F HN -0.136 nan 8.300 nan 0.000 0.583 285 V N 5.604 125.407 119.914 -0.185 0.000 2.323 285 V HA 0.166 4.286 4.120 -0.000 0.000 0.244 285 V C 1.517 177.433 176.094 -0.298 0.000 1.041 285 V CA 1.686 63.781 62.300 -0.343 0.000 1.025 285 V CB -1.025 30.360 31.823 -0.731 0.000 0.656 285 V HN 0.986 nan 8.190 nan 0.000 0.451 286 G N -0.824 107.833 108.800 -0.239 0.000 2.404 286 G HA2 0.132 4.092 3.960 -0.000 0.000 0.253 286 G HA3 0.132 4.092 3.960 -0.000 0.000 0.253 286 G C -1.548 173.444 174.900 0.154 0.000 1.253 286 G CA -0.171 44.866 45.100 -0.104 0.000 0.917 286 G HN 0.303 nan 8.290 nan 0.000 0.480 287 N N -1.121 117.699 118.700 0.199 0.000 2.321 287 N HA 0.647 5.387 4.740 -0.000 0.000 0.299 287 N C -1.642 174.076 175.510 0.347 0.000 1.048 287 N CA -0.555 52.654 53.050 0.265 0.000 0.836 287 N CB 1.650 40.239 38.487 0.171 0.000 1.269 287 N HN 0.597 nan 8.380 nan 0.000 0.486 288 Y N 3.521 123.954 120.300 0.220 0.000 2.335 288 Y HA 0.583 5.133 4.550 -0.000 0.000 0.338 288 Y C 0.741 176.703 175.900 0.103 0.000 0.977 288 Y CA 0.662 58.870 58.100 0.179 0.000 1.114 288 Y CB 0.793 39.350 38.460 0.162 0.000 1.182 288 Y HN 0.868 nan 8.280 nan 0.000 0.463 289 G N 2.987 111.558 108.800 -0.383 0.000 2.593 289 G HA2 0.078 4.038 3.960 -0.000 0.000 0.237 289 G HA3 0.078 4.038 3.960 -0.000 0.000 0.237 289 G C 0.078 174.781 174.900 -0.329 0.000 1.312 289 G CA -0.189 44.685 45.100 -0.377 0.000 0.896 289 G HN 1.352 nan 8.290 nan 0.000 0.574 290 G N -1.411 107.083 108.800 -0.510 0.000 3.356 290 G HA2 0.698 4.658 3.960 -0.000 0.000 0.178 290 G HA3 0.698 4.658 3.960 -0.000 0.000 0.178 290 G C 0.529 174.598 174.900 -1.384 0.000 1.175 290 G CA 1.129 45.719 45.100 -0.850 0.000 0.840 290 G HN 1.713 nan 8.290 nan 0.000 0.658 291 S N 0.077 115.023 115.700 -1.256 0.000 2.584 291 S HA 0.120 4.590 4.470 -0.000 0.000 0.270 291 S C 1.557 175.705 174.600 -0.754 0.000 1.346 291 S CA 0.116 57.734 58.200 -0.969 0.000 1.018 291 S CB 0.085 62.877 63.200 -0.680 0.000 0.899 291 S HN 0.538 nan 8.310 nan 0.000 0.542 292 W N 4.189 125.292 121.300 -0.328 0.000 2.325 292 W HA -0.160 4.500 4.660 -0.000 0.000 0.299 292 W C 1.673 178.101 176.519 -0.150 0.000 1.215 292 W CA 1.402 58.681 57.345 -0.111 0.000 1.244 292 W CB -1.235 28.262 29.460 0.061 0.000 1.140 292 W HN 0.920 nan 8.180 nan 0.000 0.523 293 W N 1.910 122.509 121.300 -1.169 0.000 2.699 293 W HA 0.060 4.720 4.660 0.000 0.000 0.249 293 W C 0.957 177.158 176.519 -0.530 0.000 1.280 293 W CA 0.710 57.391 57.345 -1.107 0.000 1.345 293 W CB -1.411 27.023 29.460 -1.709 0.000 1.128 293 W HN 0.146 nan 8.180 nan 0.000 0.642 294 Q N 1.404 120.565 119.800 -1.065 0.000 2.246 294 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 294 Q C 2.306 177.986 176.000 -0.532 0.000 0.883 294 Q CA 0.355 55.658 55.803 -0.833 0.000 0.952 294 Q CB 0.081 28.183 28.738 -1.060 0.000 1.078 294 Q HN 0.554 nan 8.270 nan 0.000 0.493 295 Q N -0.105 119.379 119.800 -0.527 0.000 2.291 295 Q HA -0.162 4.178 4.340 -0.000 0.000 0.205 295 Q C 0.781 176.365 176.000 -0.695 0.000 0.970 295 Q CA 1.404 56.687 55.803 -0.865 0.000 0.876 295 Q CB -0.205 27.687 28.738 -1.409 0.000 0.935 295 Q HN 0.378 nan 8.270 nan 0.000 0.455 296 N N 2.288 120.806 118.700 -0.304 0.000 2.025 296 N HA -0.127 4.613 4.740 -0.000 0.000 0.194 296 N C -1.012 174.489 175.510 -0.015 0.000 1.044 296 N CA 1.729 54.754 53.050 -0.042 0.000 0.851 296 N CB -0.674 37.833 38.487 0.034 0.000 1.036 296 N HN 0.365 nan 8.380 nan 0.000 0.422 297 P HA -0.086 nan 4.420 nan 0.000 0.220 297 P C 0.459 177.737 177.300 -0.037 0.000 1.152 297 P CA 1.409 64.488 63.100 -0.034 0.000 0.812 297 P CB 0.130 31.792 31.700 -0.063 0.000 0.792 298 E N -1.125 119.006 120.200 -0.114 0.000 2.112 298 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 298 E C 1.861 178.572 176.600 0.186 0.000 0.979 298 E CA 0.746 57.153 56.400 0.013 0.000 0.814 298 E CB -0.374 29.267 29.700 -0.099 0.000 0.762 298 E HN 0.144 nan 8.360 nan 0.000 0.460 299 F N 1.497 121.279 119.950 -0.279 0.000 2.234 299 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 299 F C 2.390 177.929 175.800 -0.434 0.000 1.087 299 F CA 1.060 58.734 58.000 -0.543 0.000 1.340 299 F CB -0.761 37.550 39.000 -1.148 0.000 1.031 299 F HN 0.028 nan 8.300 nan 0.000 0.500 300 E N 0.717 120.876 120.200 -0.067 0.000 2.031 300 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 300 E C 2.266 178.918 176.600 0.087 0.000 0.994 300 E CA 1.979 58.445 56.400 0.110 0.000 0.800 300 E CB -0.252 29.555 29.700 0.180 0.000 0.752 300 E HN 0.229 nan 8.360 nan 0.000 0.447 301 S N -0.695 115.070 115.700 0.108 0.000 2.489 301 S HA -0.084 4.386 4.470 -0.000 0.000 0.228 301 S C 1.899 176.536 174.600 0.062 0.000 0.995 301 S CA 0.402 58.665 58.200 0.104 0.000 0.934 301 S CB -0.564 62.718 63.200 0.137 0.000 0.771 301 S HN 0.359 nan 8.310 nan 0.000 0.522 302 F N 3.096 122.984 119.950 -0.103 0.000 2.202 302 F HA -0.103 4.424 4.527 0.000 0.000 0.301 302 F C 1.326 176.917 175.800 -0.348 0.000 1.082 302 F CA 1.553 59.270 58.000 -0.472 0.000 1.313 302 F CB -0.337 38.341 39.000 -0.536 0.000 1.024 302 F HN 0.193 nan 8.300 nan 0.000 0.495 303 N N -1.275 117.281 118.700 -0.241 0.000 2.927 303 N HA -0.177 4.563 4.740 -0.000 0.000 0.215 303 N C 0.542 175.944 175.510 -0.181 0.000 0.868 303 N CA 1.271 54.194 53.050 -0.212 0.000 1.075 303 N CB -1.682 36.640 38.487 -0.276 0.000 0.989 303 N HN 0.514 nan 8.380 nan 0.000 0.609 304 G N 0.313 108.964 108.800 -0.248 0.000 2.552 304 G HA2 0.648 4.607 3.960 -0.000 0.000 0.318 304 G HA3 0.648 4.607 3.960 -0.000 0.000 0.318 304 G C -2.733 172.267 174.900 0.167 0.000 1.240 304 G CA -0.853 44.225 45.100 -0.036 0.000 1.002 304 G HN -0.041 nan 8.290 nan 0.000 0.493 305 P HA 0.225 nan 4.420 nan 0.000 0.267 305 P C -0.750 176.506 177.300 -0.073 0.000 1.200 305 P CA 0.153 63.306 63.100 0.088 0.000 0.772 305 P CB 0.622 32.339 31.700 0.027 0.000 0.855 306 I N 2.375 122.853 120.570 -0.154 0.000 2.465 306 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 306 I C -0.590 175.361 176.117 -0.276 0.000 1.014 306 I CA -0.576 60.438 61.300 -0.477 0.000 1.093 306 I CB 1.704 39.122 38.000 -0.970 0.000 1.267 306 I HN 0.107 nan 8.210 nan 0.000 0.431 307 L N 7.048 128.075 121.223 -0.326 0.000 2.319 307 L HA 0.542 4.882 4.340 -0.000 0.000 0.281 307 L C -1.404 175.373 176.870 -0.156 0.000 1.005 307 L CA -0.326 54.401 54.840 -0.190 0.000 0.828 307 L CB 0.995 42.873 42.059 -0.301 0.000 1.227 307 L HN 0.391 nan 8.230 nan 0.000 0.415 308 L N 5.492 126.689 121.223 -0.044 0.000 2.255 308 L HA 0.320 4.660 4.340 -0.000 0.000 0.289 308 L C 1.344 178.257 176.870 0.071 0.000 1.046 308 L CA 0.102 54.962 54.840 0.033 0.000 0.816 308 L CB 1.213 43.333 42.059 0.101 0.000 1.197 308 L HN 0.889 nan 8.230 nan 0.000 0.427 309 T N -1.408 113.195 114.554 0.081 0.000 3.054 309 T HA 0.055 4.405 4.350 -0.000 0.000 0.259 309 T C 0.832 175.623 174.700 0.152 0.000 1.092 309 T CA 0.704 62.870 62.100 0.110 0.000 1.121 309 T CB 0.253 69.187 68.868 0.109 0.000 0.912 309 T HN 0.631 nan 8.240 nan 0.000 0.489 310 T N 0.109 114.781 114.554 0.196 0.000 2.645 310 T HA 0.403 4.753 4.350 -0.000 0.000 0.300 310 T C -1.375 173.459 174.700 0.224 0.000 1.210 310 T CA -1.106 61.116 62.100 0.204 0.000 1.034 310 T CB 0.822 69.997 68.868 0.511 0.000 1.537 310 T HN 0.331 nan 8.240 nan 0.000 0.492 311 N N -0.069 118.774 118.700 0.239 0.000 2.497 311 N HA 0.235 4.975 4.740 -0.000 0.000 0.268 311 N C -0.890 174.782 175.510 0.270 0.000 1.171 311 N CA -0.373 52.816 53.050 0.231 0.000 0.948 311 N CB 0.308 38.903 38.487 0.180 0.000 1.069 311 N HN 0.717 nan 8.380 nan 0.000 0.460 312 C N 3.220 122.658 119.300 0.230 0.000 2.321 312 C HA 0.358 4.818 4.460 -0.000 0.000 0.323 312 C C -0.220 174.953 174.990 0.306 0.000 1.191 312 C CA -0.884 58.222 59.018 0.147 0.000 1.455 312 C CB -0.387 27.215 27.740 -0.229 0.000 2.083 312 C HN 0.714 nan 8.230 nan 0.000 0.442 313 L N 6.005 127.456 121.223 0.381 0.000 2.280 313 L HA 0.717 5.056 4.340 -0.000 0.000 0.287 313 L C -0.419 176.697 176.870 0.410 0.000 1.023 313 L CA 0.138 55.214 54.840 0.392 0.000 0.819 313 L CB 1.072 43.367 42.059 0.394 0.000 1.212 313 L HN 0.454 nan 8.230 nan 0.000 0.420 314 V N 7.209 127.259 119.914 0.227 0.000 2.539 314 V HA 0.485 4.605 4.120 -0.000 0.000 0.292 314 V C -1.934 174.052 176.094 -0.180 0.000 1.045 314 V CA -1.622 60.753 62.300 0.125 0.000 0.945 314 V CB 1.353 33.308 31.823 0.219 0.000 0.993 314 V HN 0.737 nan 8.190 nan 0.000 0.464 315 P HA 0.087 nan 4.420 nan 0.000 0.266 315 P C -0.542 176.680 177.300 -0.129 0.000 1.195 315 P CA -0.261 62.661 63.100 -0.297 0.000 0.768 315 P CB 0.330 31.821 31.700 -0.348 0.000 0.838 316 L N 3.050 124.215 121.223 -0.097 0.000 2.461 316 L HA 0.094 4.434 4.340 -0.000 0.000 0.272 316 L C 1.163 177.991 176.870 -0.070 0.000 1.197 316 L CA 0.636 55.397 54.840 -0.132 0.000 0.836 316 L CB -0.139 41.770 42.059 -0.250 0.000 1.105 316 L HN 0.274 nan 8.230 nan 0.000 0.477 317 K N 2.039 122.405 120.400 -0.056 0.000 2.168 317 K HA 0.068 4.388 4.320 -0.000 0.000 0.258 317 K C 0.925 177.497 176.600 -0.046 0.000 1.010 317 K CA -0.467 55.802 56.287 -0.030 0.000 0.929 317 K CB 0.700 33.196 32.500 -0.006 0.000 0.998 317 K HN 0.419 nan 8.250 nan 0.000 0.479 318 K N 1.680 122.063 120.400 -0.028 0.000 2.113 318 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 318 K C 1.528 178.109 176.600 -0.033 0.000 1.047 318 K CA 1.782 58.052 56.287 -0.029 0.000 0.928 318 K CB 0.212 32.703 32.500 -0.016 0.000 0.716 318 K HN 0.586 nan 8.250 nan 0.000 0.446 319 E N 0.276 120.462 120.200 -0.024 0.000 2.489 319 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 319 E C -0.512 176.075 176.600 -0.021 0.000 1.057 319 E CA 0.055 56.445 56.400 -0.017 0.000 0.866 319 E CB -0.375 29.324 29.700 -0.002 0.000 0.916 319 E HN 0.307 nan 8.360 nan 0.000 0.500 320 N N 1.195 119.863 118.700 -0.054 0.000 2.479 320 N HA 0.040 4.780 4.740 -0.000 0.000 0.257 320 N C 0.417 175.847 175.510 -0.132 0.000 1.232 320 N CA 0.865 53.864 53.050 -0.085 0.000 0.920 320 N CB 0.892 39.236 38.487 -0.239 0.000 1.105 320 N HN 0.180 nan 8.380 nan 0.000 0.444 321 T N -2.354 112.169 114.554 -0.052 0.000 3.145 321 T HA 0.055 4.405 4.350 -0.000 0.000 0.281 321 T C 0.478 175.181 174.700 0.004 0.000 1.003 321 T CA -0.365 61.716 62.100 -0.032 0.000 0.901 321 T CB -0.413 68.471 68.868 0.027 0.000 1.112 321 T HN 0.619 nan 8.240 nan 0.000 0.535 322 Y N -0.168 120.137 120.300 0.009 0.000 2.470 322 Y HA 0.573 5.123 4.550 -0.000 0.000 0.284 322 Y C 1.583 177.468 175.900 -0.024 0.000 1.188 322 Y CA -1.249 56.852 58.100 0.001 0.000 1.269 322 Y CB -0.399 38.075 38.460 0.024 0.000 1.094 322 Y HN 0.152 nan 8.280 nan 0.000 0.518 323 L N 2.263 123.381 121.223 -0.174 0.000 2.079 323 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 323 L C 1.890 178.729 176.870 -0.051 0.000 1.081 323 L CA 2.223 56.999 54.840 -0.106 0.000 0.752 323 L CB -0.751 41.256 42.059 -0.087 0.000 0.896 323 L HN 0.540 nan 8.230 nan 0.000 0.433 324 D N -0.310 120.070 120.400 -0.034 0.000 2.371 324 D HA -0.207 4.433 4.640 -0.000 0.000 0.221 324 D C 1.452 177.720 176.300 -0.054 0.000 0.986 324 D CA 0.954 54.927 54.000 -0.044 0.000 0.899 324 D CB -0.329 40.462 40.800 -0.015 0.000 0.902 324 D HN 0.637 nan 8.370 nan 0.000 0.530 325 R N -0.480 120.019 120.500 -0.001 0.000 2.629 325 R HA 0.346 4.686 4.340 -0.000 0.000 0.408 325 R C -0.326 176.013 176.300 0.065 0.000 1.057 325 R CA -0.711 55.432 56.100 0.071 0.000 1.119 325 R CB -0.239 30.143 30.300 0.136 0.000 1.403 325 R HN 0.026 nan 8.270 nan 0.000 0.576 326 L N 1.302 122.475 121.223 -0.083 0.000 2.282 326 L HA 0.478 4.818 4.340 -0.000 0.000 0.288 326 L C -1.477 175.260 176.870 -0.221 0.000 1.033 326 L CA -0.813 53.999 54.840 -0.047 0.000 0.807 326 L CB 0.706 42.775 42.059 0.018 0.000 1.209 326 L HN 0.050 nan 8.230 nan 0.000 0.423 327 Y N 2.313 122.592 120.300 -0.034 0.000 2.409 327 Y HA 0.670 5.220 4.550 0.000 0.000 0.343 327 Y C 0.479 176.388 175.900 0.015 0.000 0.973 327 Y CA -0.634 57.467 58.100 0.002 0.000 1.064 327 Y CB 2.194 40.642 38.460 -0.019 0.000 1.207 327 Y HN 0.696 nan 8.280 nan 0.000 0.452 328 T N -1.297 113.379 114.554 0.204 0.000 2.940 328 T HA 0.823 5.173 4.350 -0.000 0.000 0.288 328 T C -0.415 174.334 174.700 0.080 0.000 1.033 328 T CA -0.706 61.522 62.100 0.213 0.000 1.033 328 T CB 2.177 71.250 68.868 0.342 0.000 1.079 328 T HN 0.629 nan 8.240 nan 0.000 0.496 329 T N -0.874 113.719 114.554 0.065 0.000 2.769 329 T HA 0.643 4.993 4.350 -0.000 0.000 0.306 329 T C 0.488 175.237 174.700 0.082 0.000 1.400 329 T CA 0.968 62.991 62.100 -0.128 0.000 1.007 329 T CB 0.841 69.689 68.868 -0.033 0.000 1.392 329 T HN 1.964 nan 8.240 nan 0.000 0.500 330 G N 0.635 109.475 108.800 0.067 0.000 2.550 330 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.277 330 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.277 330 G C 1.107 176.023 174.900 0.027 0.000 1.190 330 G CA 0.955 46.081 45.100 0.044 0.000 0.971 330 G HN 1.912 nan 8.290 nan 0.000 0.559 331 V N -0.776 119.024 119.914 -0.190 0.000 3.573 331 V HA 0.464 4.584 4.120 -0.000 0.000 0.270 331 V C 1.361 177.322 176.094 -0.221 0.000 1.221 331 V CA 1.098 63.224 62.300 -0.290 0.000 1.163 331 V CB -0.468 31.022 31.823 -0.556 0.000 0.847 331 V HN 1.061 nan 8.190 nan 0.000 0.468 332 V N 1.721 121.590 119.914 -0.076 0.000 2.686 332 V HA 0.767 4.887 4.120 -0.000 0.000 0.295 332 V C 0.850 176.997 176.094 0.088 0.000 1.055 332 V CA 0.672 62.993 62.300 0.034 0.000 1.050 332 V CB 0.591 32.487 31.823 0.122 0.000 0.984 332 V HN 0.606 nan 8.190 nan 0.000 0.482 333 G N 2.508 111.384 108.800 0.126 0.000 2.718 333 G HA2 0.612 4.572 3.960 -0.000 0.000 0.295 333 G HA3 0.612 4.572 3.960 -0.000 0.000 0.295 333 G C -2.221 172.897 174.900 0.364 0.000 1.421 333 G CA -0.454 44.721 45.100 0.126 0.000 0.902 333 G HN 0.607 nan 8.290 nan 0.000 0.501 334 Y N 0.402 120.796 120.300 0.157 0.000 2.390 334 Y HA 0.417 4.968 4.550 0.000 0.000 0.324 334 Y C -0.204 175.748 175.900 0.087 0.000 1.151 334 Y CA -0.795 57.412 58.100 0.177 0.000 1.053 334 Y CB 1.825 40.370 38.460 0.142 0.000 1.277 334 Y HN 0.699 nan 8.280 nan 0.000 0.432 335 E N 3.853 123.903 120.200 -0.249 0.000 2.493 335 E HA 0.316 4.666 4.350 -0.000 0.000 0.255 335 E C 1.032 177.593 176.600 -0.065 0.000 0.999 335 E CA 1.714 58.019 56.400 -0.158 0.000 0.934 335 E CB 0.085 29.655 29.700 -0.216 0.000 0.940 335 E HN 1.068 nan 8.360 nan 0.000 0.473 336 G N 2.584 111.392 108.800 0.013 0.000 2.199 336 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 336 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 336 G C 0.152 175.091 174.900 0.064 0.000 0.982 336 G CA 0.065 45.186 45.100 0.035 0.000 0.632 336 G HN 0.850 nan 8.290 nan 0.000 0.529 337 A N 0.316 123.214 122.820 0.130 0.000 2.310 337 A HA 0.705 5.025 4.320 -0.000 0.000 0.299 337 A C 0.434 178.027 177.584 0.015 0.000 1.147 337 A CA -0.232 51.845 52.037 0.067 0.000 0.818 337 A CB 0.550 19.640 19.000 0.151 0.000 1.096 337 A HN 0.351 nan 8.150 nan 0.000 0.495 338 K N 1.470 121.792 120.400 -0.130 0.000 2.412 338 K HA 0.167 4.487 4.320 -0.000 0.000 0.281 338 K C -0.605 176.048 176.600 0.089 0.000 1.027 338 K CA 0.209 56.448 56.287 -0.079 0.000 0.989 338 K CB 0.312 32.634 32.500 -0.297 0.000 0.935 338 K HN 0.801 nan 8.250 nan 0.000 0.475 339 H N 2.710 121.816 119.070 0.060 0.000 2.457 339 H HA 0.254 4.810 4.556 0.000 0.000 0.335 339 H C -0.675 174.721 175.328 0.113 0.000 1.115 339 H CA -0.738 55.365 56.048 0.092 0.000 1.219 339 H CB 0.661 30.454 29.762 0.052 0.000 1.471 339 H HN 0.328 nan 8.280 nan 0.000 0.491 340 I N 4.491 124.813 120.570 -0.414 0.000 2.304 340 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 340 I C 0.753 176.630 176.117 -0.400 0.000 1.018 340 I CA -0.449 60.700 61.300 -0.252 0.000 1.260 340 I CB 0.138 38.080 38.000 -0.097 0.000 1.390 340 I HN 0.722 nan 8.210 nan 0.000 0.475 341 A N 6.020 128.742 122.820 -0.162 0.000 2.448 341 A HA 0.124 4.444 4.320 -0.000 0.000 0.239 341 A C 0.167 177.703 177.584 -0.080 0.000 1.080 341 A CA -0.314 51.693 52.037 -0.050 0.000 0.779 341 A CB 0.050 19.053 19.000 0.005 0.000 1.026 341 A HN 0.660 nan 8.150 nan 0.000 0.499 342 D N 0.738 121.133 120.400 -0.008 0.000 2.449 342 D HA 0.219 4.859 4.640 -0.000 0.000 0.236 342 D C 0.774 177.052 176.300 -0.036 0.000 1.149 342 D CA 0.467 54.461 54.000 -0.010 0.000 0.878 342 D CB 0.438 41.255 40.800 0.028 0.000 1.198 342 D HN 0.560 nan 8.370 nan 0.000 0.446 343 R N 1.689 122.165 120.500 -0.040 0.000 2.543 343 R HA 0.381 4.721 4.340 -0.000 0.000 0.277 343 R C -2.265 174.025 176.300 -0.016 0.000 1.074 343 R CA -1.284 54.788 56.100 -0.046 0.000 1.076 343 R CB -0.452 29.827 30.300 -0.035 0.000 0.993 343 R HN 0.180 nan 8.270 nan 0.000 0.459 344 P HA 0.046 nan 4.420 nan 0.000 0.272 344 P C -0.590 176.712 177.300 0.003 0.000 1.223 344 P CA -0.373 62.724 63.100 -0.006 0.000 0.784 344 P CB 0.645 32.338 31.700 -0.011 0.000 0.923 345 A N 1.812 124.637 122.820 0.009 0.000 2.548 345 A HA 0.395 4.715 4.320 -0.000 0.000 0.247 345 A C 1.529 179.119 177.584 0.011 0.000 1.067 345 A CA 0.671 52.716 52.037 0.013 0.000 0.757 345 A CB -1.493 17.514 19.000 0.012 0.000 0.996 345 A HN 0.969 nan 8.150 nan 0.000 0.504 346 G N 1.492 110.302 108.800 0.016 0.000 2.184 346 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.264 346 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.264 346 G C 0.877 175.786 174.900 0.015 0.000 0.975 346 G CA 0.834 45.943 45.100 0.015 0.000 0.642 346 G HN 1.910 nan 8.290 nan 0.000 0.536 347 G N -0.962 107.844 108.800 0.009 0.000 3.119 347 G HA2 0.972 4.932 3.960 -0.000 0.000 0.206 347 G HA3 0.972 4.932 3.960 -0.000 0.000 0.206 347 G C -0.226 174.672 174.900 -0.004 0.000 1.313 347 G CA 0.350 45.450 45.100 0.000 0.000 1.010 347 G HN 1.576 nan 8.290 nan 0.000 0.578 348 A N -1.048 121.753 122.820 -0.031 0.000 2.479 348 A HA 0.763 5.083 4.320 -0.000 0.000 0.296 348 A C -0.315 177.182 177.584 -0.145 0.000 1.121 348 A CA -0.672 51.330 52.037 -0.058 0.000 0.743 348 A CB 1.349 20.324 19.000 -0.042 0.000 1.323 348 A HN 0.515 nan 8.150 nan 0.000 0.415 349 K N 0.344 120.592 120.400 -0.253 0.000 2.219 349 K HA 0.274 4.594 4.320 -0.000 0.000 0.258 349 K C -1.070 175.172 176.600 -0.596 0.000 1.008 349 K CA -0.240 55.758 56.287 -0.483 0.000 0.928 349 K CB 0.526 32.577 32.500 -0.749 0.000 0.983 349 K HN 0.637 nan 8.250 nan 0.000 0.484 350 D N 1.548 121.613 120.400 -0.559 0.000 2.454 350 D HA 0.142 4.782 4.640 -0.000 0.000 0.225 350 D C -0.740 175.315 176.300 -0.410 0.000 1.081 350 D CA -0.427 53.346 54.000 -0.377 0.000 0.864 350 D CB 0.238 40.924 40.800 -0.190 0.000 1.040 350 D HN 0.262 nan 8.370 nan 0.000 0.517 351 F N 1.428 121.319 119.950 -0.098 0.000 2.641 351 F HA 0.067 4.594 4.527 -0.000 0.000 0.302 351 F C 2.395 178.110 175.800 -0.142 0.000 1.098 351 F CA -0.202 57.708 58.000 -0.150 0.000 1.318 351 F CB -0.283 38.613 39.000 -0.172 0.000 1.035 351 F HN 0.319 nan 8.300 nan 0.000 0.551 352 S N 0.213 115.930 115.700 0.027 0.000 2.383 352 S HA -0.257 4.213 4.470 -0.000 0.000 0.229 352 S C 2.378 176.976 174.600 -0.003 0.000 1.030 352 S CA 1.075 59.279 58.200 0.007 0.000 1.002 352 S CB -0.733 62.465 63.200 -0.003 0.000 0.829 352 S HN 0.281 nan 8.310 nan 0.000 0.467 353 A N 1.675 124.498 122.820 0.004 0.000 1.933 353 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 353 A C 2.197 179.758 177.584 -0.038 0.000 1.175 353 A CA 1.406 53.461 52.037 0.031 0.000 0.628 353 A CB -0.762 18.312 19.000 0.123 0.000 0.814 353 A HN 0.470 nan 8.150 nan 0.000 0.444 354 L N -0.332 120.753 121.223 -0.229 0.000 2.056 354 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 354 L C 2.355 179.127 176.870 -0.163 0.000 1.078 354 L CA 1.432 56.033 54.840 -0.399 0.000 0.749 354 L CB -0.523 41.187 42.059 -0.581 0.000 0.901 354 L HN 0.374 nan 8.230 nan 0.000 0.433 355 I N -0.699 119.810 120.570 -0.102 0.000 2.226 355 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 355 I C 2.639 178.737 176.117 -0.030 0.000 1.100 355 I CA 1.188 62.454 61.300 -0.057 0.000 1.374 355 I CB -0.575 37.403 38.000 -0.038 0.000 1.057 355 I HN 0.223 nan 8.210 nan 0.000 0.413 356 A N 0.048 122.858 122.820 -0.015 0.000 1.902 356 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 356 A C 2.332 179.923 177.584 0.012 0.000 1.181 356 A CA 1.834 53.872 52.037 0.002 0.000 0.623 356 A CB -0.675 18.334 19.000 0.014 0.000 0.818 356 A HN 0.514 nan 8.150 nan 0.000 0.443 357 Q N -0.637 119.178 119.800 0.026 0.000 2.079 357 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 357 Q C 2.154 178.168 176.000 0.022 0.000 0.974 357 Q CA 1.356 57.188 55.803 0.048 0.000 0.840 357 Q CB -0.336 28.474 28.738 0.120 0.000 0.898 357 Q HN 0.593 nan 8.270 nan 0.000 0.430 358 A N 1.154 123.973 122.820 -0.001 0.000 1.978 358 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 358 A C 1.860 179.432 177.584 -0.019 0.000 1.170 358 A CA 1.554 53.583 52.037 -0.013 0.000 0.636 358 A CB -0.367 18.620 19.000 -0.021 0.000 0.810 358 A HN 0.329 nan 8.150 nan 0.000 0.448 359 K N -0.346 120.047 120.400 -0.013 0.000 2.360 359 K HA -0.081 4.239 4.320 -0.000 0.000 0.201 359 K C 1.323 177.915 176.600 -0.013 0.000 1.046 359 K CA 1.205 57.484 56.287 -0.013 0.000 0.945 359 K CB -0.067 32.427 32.500 -0.010 0.000 0.750 359 K HN 0.440 nan 8.250 nan 0.000 0.464 360 K N -0.215 120.180 120.400 -0.009 0.000 2.374 360 K HA 0.099 4.419 4.320 -0.000 0.000 0.196 360 K C 0.201 176.791 176.600 -0.017 0.000 1.023 360 K CA -0.090 56.192 56.287 -0.008 0.000 1.103 360 K CB 0.445 32.948 32.500 0.004 0.000 0.848 360 K HN 0.041 nan 8.250 nan 0.000 0.528 361 C N 2.317 121.599 119.300 -0.031 0.000 2.365 361 C HA 0.417 4.877 4.460 -0.000 0.000 0.349 361 C C -2.063 172.879 174.990 -0.080 0.000 1.191 361 C CA -1.780 57.206 59.018 -0.054 0.000 2.114 361 C CB 1.093 28.791 27.740 -0.069 0.000 2.367 361 C HN 0.251 nan 8.230 nan 0.000 0.530 362 P HA 0.330 nan 4.420 nan 0.000 0.274 362 P C -2.730 174.462 177.300 -0.179 0.000 1.246 362 P CA -1.226 61.810 63.100 -0.108 0.000 0.795 362 P CB -0.464 31.180 31.700 -0.093 0.000 1.006 363 P HA 0.251 nan 4.420 nan 0.000 0.272 363 P C -2.401 174.687 177.300 -0.353 0.000 1.240 363 P CA -1.436 61.520 63.100 -0.238 0.000 0.791 363 P CB -1.319 30.304 31.700 -0.128 0.000 0.978 364 P HA 0.003 nan 4.420 nan 0.000 0.269 364 P C -0.576 176.576 177.300 -0.245 0.000 1.209 364 P CA 0.169 62.873 63.100 -0.660 0.000 0.776 364 P CB 0.186 31.243 31.700 -1.072 0.000 0.876 365 V N 2.762 122.610 119.914 -0.110 0.000 2.508 365 V HA 0.037 4.157 4.120 -0.000 0.000 0.281 365 V C 0.936 177.110 176.094 0.134 0.000 1.041 365 V CA -0.094 62.217 62.300 0.019 0.000 1.016 365 V CB -0.009 31.836 31.823 0.036 0.000 0.984 365 V HN 0.553 nan 8.190 nan 0.000 0.478 366 E N 3.828 124.084 120.200 0.092 0.000 2.351 366 E HA 0.126 4.476 4.350 -0.000 0.000 0.266 366 E C 0.861 177.496 176.600 0.057 0.000 1.031 366 E CA -0.087 56.380 56.400 0.111 0.000 0.911 366 E CB 0.546 30.290 29.700 0.073 0.000 0.986 366 E HN 0.711 nan 8.360 nan 0.000 0.446 367 I N 1.285 121.855 120.570 0.001 0.000 4.070 367 I HA 0.275 4.445 4.170 -0.000 0.000 0.328 367 I C 0.165 176.237 176.117 -0.075 0.000 1.298 367 I CA -0.258 60.993 61.300 -0.081 0.000 1.173 367 I CB -0.031 37.852 38.000 -0.194 0.000 1.051 367 I HN 0.386 nan 8.210 nan 0.000 0.409 368 E N 1.482 121.654 120.200 -0.046 0.000 2.422 368 E HA 0.481 4.831 4.350 -0.000 0.000 0.280 368 E C -1.136 175.471 176.600 0.012 0.000 1.091 368 E CA -0.837 55.548 56.400 -0.024 0.000 0.849 368 E CB 1.535 31.210 29.700 -0.042 0.000 1.353 368 E HN 0.109 nan 8.360 nan 0.000 0.449 369 T N -2.164 112.401 114.554 0.018 0.000 2.883 369 T HA 0.852 5.202 4.350 -0.000 0.000 0.296 369 T C 0.582 175.300 174.700 0.030 0.000 1.117 369 T CA -0.095 62.025 62.100 0.033 0.000 1.006 369 T CB 1.677 70.563 68.868 0.030 0.000 1.191 369 T HN 1.470 nan 8.240 nan 0.000 0.508 370 G N 0.736 109.556 108.800 0.035 0.000 2.341 370 G HA2 0.398 4.358 3.960 -0.000 0.000 0.196 370 G HA3 0.398 4.358 3.960 -0.000 0.000 0.196 370 G C -0.419 174.503 174.900 0.036 0.000 1.231 370 G CA 0.223 45.341 45.100 0.031 0.000 1.155 370 G HN 2.244 nan 8.290 nan 0.000 0.529 371 S N -1.451 114.271 115.700 0.036 0.000 2.625 371 S HA 0.808 5.278 4.470 -0.000 0.000 0.271 371 S C -1.075 173.554 174.600 0.049 0.000 1.161 371 S CA -0.593 57.632 58.200 0.041 0.000 0.820 371 S CB 2.058 65.277 63.200 0.032 0.000 1.137 371 S HN 1.256 nan 8.310 nan 0.000 0.470 372 I N 1.241 121.848 120.570 0.061 0.000 2.545 372 I HA 0.551 4.721 4.170 -0.000 0.000 0.292 372 I C -1.082 175.089 176.117 0.091 0.000 1.040 372 I CA -1.073 60.272 61.300 0.075 0.000 1.068 372 I CB 2.225 40.276 38.000 0.084 0.000 1.251 372 I HN 0.524 nan 8.210 nan 0.000 0.424 373 V N 4.590 124.557 119.914 0.089 0.000 2.547 373 V HA 0.917 5.037 4.120 -0.000 0.000 0.299 373 V C 0.405 176.542 176.094 0.071 0.000 1.040 373 V CA -0.196 62.152 62.300 0.079 0.000 0.913 373 V CB 1.342 33.224 31.823 0.099 0.000 0.992 373 V HN 0.988 nan 8.190 nan 0.000 0.449 374 G N 1.410 110.126 108.800 -0.139 0.000 2.619 374 G HA2 0.624 4.584 3.960 -0.000 0.000 0.305 374 G HA3 0.624 4.584 3.960 -0.000 0.000 0.305 374 G C 0.176 174.327 174.900 -1.249 0.000 1.330 374 G CA 0.189 44.993 45.100 -0.493 0.000 0.789 374 G HN 1.574 nan 8.290 nan 0.000 0.487 375 G N -1.708 106.139 108.800 -1.589 0.000 2.135 375 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.183 375 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.183 375 G C 0.053 174.529 174.900 -0.706 0.000 1.004 375 G CA 0.176 44.575 45.100 -1.167 0.000 0.677 375 G HN 0.870 nan 8.290 nan 0.000 0.512 376 F N 2.104 121.877 119.950 -0.295 0.000 2.660 376 F HA 0.651 5.178 4.527 -0.000 0.000 0.342 376 F C 1.318 177.059 175.800 -0.097 0.000 1.195 376 F CA 0.082 57.989 58.000 -0.155 0.000 1.300 376 F CB 0.066 38.998 39.000 -0.113 0.000 1.616 376 F HN 0.408 nan 8.300 nan 0.000 0.592 377 A N -0.122 122.682 122.820 -0.027 0.000 2.257 377 A HA 0.289 4.609 4.320 -0.000 0.000 0.290 377 A C 1.447 179.028 177.584 -0.005 0.000 1.201 377 A CA -0.017 52.016 52.037 -0.006 0.000 0.863 377 A CB 0.067 19.023 19.000 -0.074 0.000 1.256 377 A HN 0.711 nan 8.150 nan 0.000 0.506 378 H N -1.640 117.461 119.070 0.051 0.000 2.353 378 H HA -0.190 4.366 4.556 -0.000 0.000 0.300 378 H C 1.740 177.093 175.328 0.042 0.000 1.090 378 H CA 2.117 58.184 56.048 0.030 0.000 1.327 378 H CB -0.540 29.231 29.762 0.014 0.000 1.383 378 H HN 0.782 nan 8.280 nan 0.000 0.508 379 H N 0.373 119.248 119.070 -0.324 0.000 2.319 379 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 379 H C 2.163 177.441 175.328 -0.083 0.000 1.092 379 H CA 2.099 58.060 56.048 -0.145 0.000 1.302 379 H CB 0.088 29.720 29.762 -0.216 0.000 1.373 379 H HN 0.512 nan 8.280 nan 0.000 0.497 380 Q N 0.629 120.409 119.800 -0.034 0.000 2.084 380 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 380 Q C 2.473 178.457 176.000 -0.027 0.000 0.978 380 Q CA 1.914 57.680 55.803 -0.062 0.000 0.844 380 Q CB -0.401 28.253 28.738 -0.140 0.000 0.898 380 Q HN 0.296 nan 8.270 nan 0.000 0.426 381 V N 0.440 120.372 119.914 0.030 0.000 2.358 381 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 381 V C 2.246 178.339 176.094 -0.001 0.000 1.047 381 V CA 1.483 63.822 62.300 0.065 0.000 1.035 381 V CB -0.548 31.315 31.823 0.067 0.000 0.658 381 V HN 0.412 nan 8.190 nan 0.000 0.452 382 L N 0.206 121.406 121.223 -0.038 0.000 2.201 382 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 382 L C 2.624 179.429 176.870 -0.109 0.000 1.105 382 L CA 1.503 56.305 54.840 -0.064 0.000 0.775 382 L CB -0.998 41.031 42.059 -0.051 0.000 0.913 382 L HN 0.400 nan 8.230 nan 0.000 0.440 383 A N 0.001 122.721 122.820 -0.167 0.000 2.121 383 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 383 A C 1.863 179.407 177.584 -0.067 0.000 1.154 383 A CA 0.893 52.836 52.037 -0.156 0.000 0.679 383 A CB -0.262 18.617 19.000 -0.202 0.000 0.795 383 A HN 0.441 nan 8.150 nan 0.000 0.458 384 L N -1.200 120.005 121.223 -0.030 0.000 2.965 384 L HA 0.266 4.606 4.340 -0.000 0.000 0.254 384 L C 2.171 179.046 176.870 0.008 0.000 1.220 384 L CA 0.225 55.069 54.840 0.007 0.000 1.023 384 L CB 0.055 42.145 42.059 0.052 0.000 1.355 384 L HN 0.314 nan 8.230 nan 0.000 0.545 385 A N 0.463 123.275 122.820 -0.013 0.000 1.892 385 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 385 A C 1.856 179.436 177.584 -0.006 0.000 1.188 385 A CA 2.137 54.167 52.037 -0.012 0.000 0.631 385 A CB -0.270 18.709 19.000 -0.035 0.000 0.822 385 A HN 0.365 nan 8.150 nan 0.000 0.447 386 D N -0.545 119.846 120.400 -0.015 0.000 2.104 386 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 386 D C 1.889 178.193 176.300 0.008 0.000 0.994 386 D CA 1.675 55.667 54.000 -0.012 0.000 0.830 386 D CB -0.319 40.472 40.800 -0.016 0.000 0.959 386 D HN 0.593 nan 8.370 nan 0.000 0.452 387 K N 0.679 121.088 120.400 0.016 0.000 2.057 387 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 387 K C 2.012 178.640 176.600 0.047 0.000 1.049 387 K CA 0.809 57.113 56.287 0.027 0.000 0.931 387 K CB 0.015 32.532 32.500 0.027 0.000 0.714 387 K HN -0.042 nan 8.250 nan 0.000 0.440 388 V N 0.622 120.574 119.914 0.064 0.000 2.307 388 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 388 V C 2.333 178.517 176.094 0.150 0.000 1.045 388 V CA 1.441 63.811 62.300 0.116 0.000 1.024 388 V CB -0.141 31.758 31.823 0.127 0.000 0.651 388 V HN 0.144 nan 8.190 nan 0.000 0.449 389 V N 0.061 120.044 119.914 0.115 0.000 2.343 389 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 389 V C 2.428 178.604 176.094 0.135 0.000 1.051 389 V CA 2.143 64.528 62.300 0.141 0.000 1.036 389 V CB -0.702 31.109 31.823 -0.021 0.000 0.654 389 V HN 0.638 nan 8.190 nan 0.000 0.451 390 E N 0.410 120.652 120.200 0.070 0.000 2.085 390 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 390 E C 2.310 178.944 176.600 0.056 0.000 0.994 390 E CA 1.352 57.785 56.400 0.054 0.000 0.801 390 E CB -0.364 29.353 29.700 0.027 0.000 0.743 390 E HN 0.613 nan 8.360 nan 0.000 0.453 391 A N 0.977 123.829 122.820 0.053 0.000 1.933 391 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 391 A C 2.483 180.077 177.584 0.017 0.000 1.175 391 A CA 1.024 53.074 52.037 0.022 0.000 0.628 391 A CB -0.486 18.518 19.000 0.007 0.000 0.814 391 A HN 0.113 nan 8.150 nan 0.000 0.444 392 V N -0.017 119.943 119.914 0.078 0.000 2.358 392 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 392 V C 2.413 178.544 176.094 0.061 0.000 1.047 392 V CA 2.285 64.622 62.300 0.061 0.000 1.035 392 V CB -0.598 31.330 31.823 0.175 0.000 0.658 392 V HN 0.542 nan 8.190 nan 0.000 0.452 393 K N 0.791 121.268 120.400 0.128 0.000 2.097 393 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 393 K C 2.361 178.987 176.600 0.044 0.000 1.050 393 K CA 1.661 58.013 56.287 0.107 0.000 0.938 393 K CB -0.332 32.242 32.500 0.123 0.000 0.718 393 K HN 0.600 nan 8.250 nan 0.000 0.442 394 S N -0.580 115.136 115.700 0.026 0.000 2.453 394 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 394 S C 1.549 176.140 174.600 -0.015 0.000 1.005 394 S CA 0.941 59.144 58.200 0.004 0.000 0.949 394 S CB 0.023 63.223 63.200 0.000 0.000 0.774 394 S HN 0.469 nan 8.310 nan 0.000 0.510 395 G N 0.300 109.083 108.800 -0.028 0.000 2.176 395 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.232 395 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.232 395 G C 0.993 175.851 174.900 -0.069 0.000 0.986 395 G CA 0.332 45.401 45.100 -0.052 0.000 0.643 395 G HN 1.191 nan 8.290 nan 0.000 0.522 396 A N -0.399 122.384 122.820 -0.061 0.000 1.902 396 A HA 0.394 4.714 4.320 -0.000 0.000 0.217 396 A C 1.245 178.759 177.584 -0.118 0.000 1.181 396 A CA 1.488 53.481 52.037 -0.073 0.000 0.623 396 A CB -0.092 18.875 19.000 -0.054 0.000 0.818 396 A HN 0.881 nan 8.150 nan 0.000 0.443 397 I N -0.489 119.990 120.570 -0.152 0.000 2.354 397 I HA 0.167 4.337 4.170 -0.000 0.000 0.286 397 I C 1.054 177.006 176.117 -0.274 0.000 1.007 397 I CA -0.296 60.842 61.300 -0.270 0.000 1.167 397 I CB 1.683 39.443 38.000 -0.400 0.000 1.320 397 I HN 0.217 nan 8.210 nan 0.000 0.458 398 K N 5.875 126.125 120.400 -0.249 0.000 2.186 398 K HA 0.137 4.457 4.320 -0.000 0.000 0.202 398 K C 0.681 177.141 176.600 -0.234 0.000 1.052 398 K CA 0.763 56.931 56.287 -0.198 0.000 0.965 398 K CB 0.558 32.969 32.500 -0.148 0.000 0.746 398 K HN 0.598 nan 8.250 nan 0.000 0.457 399 R N -0.782 119.520 120.500 -0.330 0.000 2.664 399 R HA 0.199 4.539 4.340 -0.000 0.000 0.266 399 R C -1.818 174.223 176.300 -0.432 0.000 1.046 399 R CA -0.621 55.303 56.100 -0.292 0.000 0.885 399 R CB 0.678 30.886 30.300 -0.154 0.000 1.254 399 R HN -0.148 nan 8.270 nan 0.000 0.465 400 F N 1.849 121.724 119.950 -0.125 0.000 2.422 400 F HA 0.534 5.061 4.527 -0.000 0.000 0.333 400 F C -0.146 175.551 175.800 -0.172 0.000 1.095 400 F CA -0.663 57.251 58.000 -0.143 0.000 1.038 400 F CB 2.252 41.164 39.000 -0.147 0.000 1.156 400 F HN 0.049 nan 8.300 nan 0.000 0.483 401 V N 3.976 123.897 119.914 0.011 0.000 2.376 401 V HA 0.280 4.400 4.120 -0.000 0.000 0.287 401 V C -0.481 175.566 176.094 -0.078 0.000 1.015 401 V CA -0.895 61.365 62.300 -0.067 0.000 0.834 401 V CB 1.418 33.195 31.823 -0.076 0.000 1.001 401 V HN 0.488 nan 8.190 nan 0.000 0.428 402 V N 7.085 126.905 119.914 -0.157 0.000 2.405 402 V HA 0.245 4.365 4.120 -0.000 0.000 0.264 402 V C 0.700 176.820 176.094 0.043 0.000 1.048 402 V CA 0.337 62.586 62.300 -0.086 0.000 0.966 402 V CB 0.882 32.598 31.823 -0.178 0.000 1.015 402 V HN 0.898 nan 8.190 nan 0.000 0.477 403 M N 4.247 123.892 119.600 0.076 0.000 2.685 403 M HA 0.379 4.859 4.480 -0.000 0.000 0.355 403 M C 0.681 177.117 176.300 0.226 0.000 1.197 403 M CA -0.164 55.227 55.300 0.153 0.000 0.947 403 M CB 0.780 33.416 32.600 0.059 0.000 1.346 403 M HN 0.668 nan 8.290 nan 0.000 0.516 404 A N 0.704 123.641 122.820 0.196 0.000 2.366 404 A HA 0.790 5.110 4.320 -0.000 0.000 0.250 404 A C 0.763 178.461 177.584 0.191 0.000 1.099 404 A CA 0.660 52.816 52.037 0.199 0.000 0.794 404 A CB 0.024 19.135 19.000 0.185 0.000 1.056 404 A HN 0.618 nan 8.150 nan 0.000 0.499 408 G N -0.435 108.268 108.800 -0.161 0.000 2.600 408 G HA2 0.424 4.384 3.960 -0.000 0.000 0.293 408 G HA3 0.424 4.384 3.960 -0.000 0.000 0.293 408 G C -0.161 174.037 174.900 -1.170 0.000 1.408 408 G CA -0.553 44.250 45.100 -0.495 0.000 0.782 408 G HN 0.357 nan 8.290 nan 0.000 0.482 409 R N -0.458 119.375 120.500 -1.111 0.000 2.161 409 R HA 0.083 4.423 4.340 -0.000 0.000 0.213 409 R C 0.847 176.665 176.300 -0.804 0.000 1.055 409 R CA 0.279 55.579 56.100 -1.334 0.000 0.996 409 R CB 0.011 29.902 30.300 -0.680 0.000 0.901 409 R HN 0.499 nan 8.270 nan 0.000 0.456 410 Q N 1.448 120.978 119.800 -0.449 0.000 2.330 410 Q HA -0.054 4.286 4.340 -0.000 0.000 0.279 410 Q C 0.807 176.670 176.000 -0.229 0.000 1.024 410 Q CA 0.262 55.910 55.803 -0.258 0.000 0.900 410 Q CB 0.903 29.558 28.738 -0.139 0.000 1.221 410 Q HN 0.086 nan 8.270 nan 0.000 0.396 411 K N 1.494 121.798 120.400 -0.160 0.000 2.211 411 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 411 K C 1.722 178.295 176.600 -0.045 0.000 1.047 411 K CA 1.622 57.850 56.287 -0.099 0.000 0.935 411 K CB 0.015 32.477 32.500 -0.063 0.000 0.728 411 K HN 0.702 nan 8.250 nan 0.000 0.452 412 S N 0.267 115.945 115.700 -0.037 0.000 2.469 412 S HA -0.105 4.364 4.470 -0.000 0.000 0.238 412 S C 1.531 176.154 174.600 0.038 0.000 0.998 412 S CA 0.630 58.825 58.200 -0.008 0.000 0.957 412 S CB -0.274 62.911 63.200 -0.025 0.000 0.764 412 S HN 0.355 nan 8.310 nan 0.000 0.514 413 R N 1.615 122.153 120.500 0.064 0.000 2.339 413 R HA 0.075 4.415 4.340 -0.000 0.000 0.199 413 R C 2.195 178.628 176.300 0.222 0.000 1.018 413 R CA 0.779 57.011 56.100 0.221 0.000 1.036 413 R CB -0.373 30.029 30.300 0.171 0.000 0.899 413 R HN 0.733 nan 8.270 nan 0.000 0.473 414 S N -0.192 115.579 115.700 0.118 0.000 2.474 414 S HA -0.223 4.247 4.470 -0.000 0.000 0.235 414 S C 1.743 176.401 174.600 0.096 0.000 0.997 414 S CA 0.600 58.864 58.200 0.106 0.000 0.949 414 S CB -0.427 62.809 63.200 0.061 0.000 0.766 414 S HN 0.517 nan 8.310 nan 0.000 0.517 415 Y N 2.069 122.318 120.300 -0.086 0.000 2.114 415 Y HA -0.296 4.254 4.550 0.000 0.000 0.282 415 Y C 1.920 177.687 175.900 -0.221 0.000 1.165 415 Y CA 1.786 59.758 58.100 -0.213 0.000 1.148 415 Y CB -0.759 37.467 38.460 -0.390 0.000 0.972 415 Y HN 0.240 nan 8.280 nan 0.000 0.504 416 Y N -0.100 120.332 120.300 0.220 0.000 2.181 416 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 416 Y C 2.703 178.680 175.900 0.129 0.000 1.146 416 Y CA 1.851 60.052 58.100 0.168 0.000 1.164 416 Y CB -1.170 37.494 38.460 0.339 0.000 0.982 416 Y HN 0.077 nan 8.280 nan 0.000 0.515 417 T N -0.172 114.541 114.554 0.264 0.000 2.746 417 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 417 T C 1.606 176.342 174.700 0.059 0.000 1.039 417 T CA 1.726 63.943 62.100 0.195 0.000 1.142 417 T CB -0.253 68.709 68.868 0.156 0.000 0.866 417 T HN 0.433 nan 8.240 nan 0.000 0.444 418 E N 0.490 120.676 120.200 -0.022 0.000 2.150 418 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 418 E C 2.345 178.851 176.600 -0.156 0.000 0.985 418 E CA 0.656 57.008 56.400 -0.081 0.000 0.814 418 E CB -0.201 29.445 29.700 -0.089 0.000 0.752 418 E HN 0.242 nan 8.360 nan 0.000 0.466 419 V N 1.557 121.302 119.914 -0.281 0.000 2.295 419 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 419 V C 2.375 178.364 176.094 -0.174 0.000 1.049 419 V CA 1.893 64.012 62.300 -0.302 0.000 1.024 419 V CB -0.737 30.812 31.823 -0.456 0.000 0.648 419 V HN 0.323 nan 8.190 nan 0.000 0.447 420 A N -0.272 122.471 122.820 -0.128 0.000 1.883 420 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 420 A C 2.157 179.693 177.584 -0.080 0.000 1.186 420 A CA 2.070 54.027 52.037 -0.134 0.000 0.624 420 A CB -0.527 18.416 19.000 -0.095 0.000 0.822 420 A HN 0.638 nan 8.150 nan 0.000 0.444 421 E N -0.389 119.785 120.200 -0.043 0.000 2.204 421 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 421 E C 1.115 177.685 176.600 -0.050 0.000 0.989 421 E CA 0.920 57.301 56.400 -0.032 0.000 0.824 421 E CB -0.086 29.606 29.700 -0.013 0.000 0.756 421 E HN 0.561 nan 8.360 nan 0.000 0.477 422 N N 0.145 118.802 118.700 -0.071 0.000 2.299 422 N HA 0.075 4.815 4.740 -0.000 0.000 0.187 422 N C 0.214 175.677 175.510 -0.077 0.000 1.099 422 N CA 0.056 53.064 53.050 -0.070 0.000 0.867 422 N CB 0.644 39.085 38.487 -0.076 0.000 0.974 422 N HN 0.089 nan 8.380 nan 0.000 0.477 423 L N 2.392 123.560 121.223 -0.092 0.000 2.483 423 L HA 0.126 4.466 4.340 -0.000 0.000 0.276 423 L C -1.816 175.005 176.870 -0.082 0.000 1.213 423 L CA -1.275 53.509 54.840 -0.093 0.000 0.843 423 L CB -0.079 41.913 42.059 -0.111 0.000 1.107 423 L HN -0.137 nan 8.230 nan 0.000 0.487 424 P HA -0.029 nan 4.420 nan 0.000 0.267 424 P C -0.242 177.008 177.300 -0.083 0.000 1.201 424 P CA 0.051 63.106 63.100 -0.075 0.000 0.775 424 P CB 0.365 32.019 31.700 -0.076 0.000 0.854 425 K N 1.149 121.505 120.400 -0.073 0.000 2.555 425 K HA -0.072 4.248 4.320 -0.000 0.000 0.193 425 K C 0.245 176.790 176.600 -0.090 0.000 1.032 425 K CA 0.943 57.185 56.287 -0.075 0.000 1.004 425 K CB -0.262 32.203 32.500 -0.058 0.000 0.804 425 K HN 0.565 nan 8.250 nan 0.000 0.496 426 D N 0.500 120.838 120.400 -0.103 0.000 2.525 426 D HA -0.030 4.610 4.640 -0.000 0.000 0.229 426 D C 0.084 176.277 176.300 -0.177 0.000 1.202 426 D CA -0.264 53.660 54.000 -0.127 0.000 0.828 426 D CB -0.033 40.700 40.800 -0.112 0.000 1.008 426 D HN -0.047 nan 8.370 nan 0.000 0.493 427 T N -2.812 111.637 114.554 -0.175 0.000 2.912 427 T HA 0.691 5.041 4.350 -0.000 0.000 0.288 427 T C -0.324 174.247 174.700 -0.215 0.000 1.030 427 T CA -0.854 61.114 62.100 -0.220 0.000 1.020 427 T CB 2.168 70.933 68.868 -0.171 0.000 1.056 427 T HN -0.118 nan 8.240 nan 0.000 0.480 428 V N 2.485 122.244 119.914 -0.257 0.000 2.588 428 V HA 0.465 4.585 4.120 -0.000 0.000 0.304 428 V C -0.219 175.838 176.094 -0.060 0.000 1.042 428 V CA -0.972 61.234 62.300 -0.157 0.000 0.877 428 V CB 1.625 33.368 31.823 -0.135 0.000 0.996 428 V HN 0.887 nan 8.190 nan 0.000 0.425 429 I N 5.344 125.864 120.570 -0.083 0.000 2.365 429 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 429 I C -0.449 175.650 176.117 -0.030 0.000 1.004 429 I CA -0.204 61.038 61.300 -0.097 0.000 1.311 429 I CB 1.120 38.978 38.000 -0.237 0.000 1.401 429 I HN 0.335 nan 8.210 nan 0.000 0.491 430 L N 5.761 126.982 121.223 -0.003 0.000 2.307 430 L HA 0.606 4.946 4.340 -0.000 0.000 0.284 430 L C -0.036 176.871 176.870 0.062 0.000 1.023 430 L CA -0.246 54.602 54.840 0.013 0.000 0.810 430 L CB 1.778 43.822 42.059 -0.024 0.000 1.231 430 L HN 0.558 nan 8.230 nan 0.000 0.423 431 T N 1.756 116.376 114.554 0.109 0.000 2.841 431 T HA 0.891 5.240 4.350 -0.000 0.000 0.296 431 T C -1.769 173.027 174.700 0.159 0.000 1.166 431 T CA -0.330 61.876 62.100 0.176 0.000 1.007 431 T CB 2.063 71.113 68.868 0.303 0.000 1.253 431 T HN 0.798 nan 8.240 nan 0.000 0.511 432 A N 0.708 123.629 122.820 0.168 0.000 2.582 432 A HA 0.802 5.122 4.320 -0.000 0.000 0.297 432 A C 0.127 177.817 177.584 0.176 0.000 1.059 432 A CA 0.211 52.349 52.037 0.168 0.000 0.705 432 A CB 0.731 19.833 19.000 0.170 0.000 1.279 432 A HN 2.271 nan 8.150 nan 0.000 0.404 433 G N -0.969 107.939 108.800 0.179 0.000 2.746 433 G HA2 0.140 4.100 3.960 -0.000 0.000 0.685 433 G HA3 0.140 4.100 3.960 -0.000 0.000 0.685 433 G C 0.927 175.933 174.900 0.177 0.000 1.350 433 G CA -0.049 45.179 45.100 0.214 0.000 0.837 433 G HN 2.532 nan 8.290 nan 0.000 0.564 434 C N -0.252 119.202 119.300 0.257 0.000 2.511 434 C HA 0.519 4.979 4.460 -0.000 0.000 0.277 434 C C 2.983 178.119 174.990 0.243 0.000 1.451 434 C CA 0.971 60.187 59.018 0.330 0.000 1.735 434 C CB -1.612 26.408 27.740 0.467 0.000 1.704 434 C HN 2.112 nan 8.230 nan 0.000 0.571 435 A N 2.759 125.668 122.820 0.148 0.000 2.024 435 A HA -0.183 4.136 4.320 -0.000 0.000 0.220 435 A C 2.373 179.839 177.584 -0.198 0.000 1.164 435 A CA 1.871 53.929 52.037 0.036 0.000 0.643 435 A CB -0.628 18.400 19.000 0.047 0.000 0.806 435 A HN 0.894 nan 8.150 nan 0.000 0.451 436 K N -1.521 118.722 120.400 -0.261 0.000 2.160 436 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 436 K C 1.392 177.535 176.600 -0.763 0.000 1.047 436 K CA 1.838 57.749 56.287 -0.627 0.000 0.930 436 K CB -0.644 31.648 32.500 -0.345 0.000 0.720 436 K HN 0.458 nan 8.250 nan 0.000 0.450 437 Y N 1.323 121.435 120.300 -0.314 0.000 2.574 437 Y HA 0.036 4.586 4.550 -0.000 0.000 0.294 437 Y C 2.112 177.884 175.900 -0.212 0.000 1.142 437 Y CA 0.522 58.488 58.100 -0.224 0.000 1.314 437 Y CB 0.024 38.391 38.460 -0.156 0.000 0.991 437 Y HN 0.026 nan 8.280 nan 0.000 0.555 438 R N -0.401 119.992 120.500 -0.178 0.000 2.235 438 R HA -0.083 4.257 4.340 -0.000 0.000 0.213 438 R C 0.161 176.468 176.300 0.010 0.000 1.059 438 R CA 1.041 57.130 56.100 -0.018 0.000 0.997 438 R CB -0.286 30.098 30.300 0.140 0.000 0.884 438 R HN 0.645 nan 8.270 nan 0.000 0.462 439 Y N -2.381 117.971 120.300 0.086 0.000 2.890 439 Y HA 0.256 4.806 4.550 -0.000 0.000 0.266 439 Y C 0.527 176.442 175.900 0.024 0.000 1.090 439 Y CA -1.166 56.967 58.100 0.054 0.000 1.258 439 Y CB -0.882 37.609 38.460 0.053 0.000 1.346 439 Y HN -0.128 nan 8.280 nan 0.000 0.578 440 N N 1.304 119.982 118.700 -0.037 0.000 2.398 440 N HA 0.023 4.763 4.740 -0.000 0.000 0.188 440 N C 0.261 175.791 175.510 0.033 0.000 1.122 440 N CA 0.158 53.217 53.050 0.015 0.000 0.866 440 N CB 0.021 38.430 38.487 -0.130 0.000 0.970 440 N HN 0.475 nan 8.380 nan 0.000 0.462 441 K N 0.239 120.667 120.400 0.046 0.000 2.618 441 K HA 0.336 4.656 4.320 -0.000 0.000 0.207 441 K C -0.180 176.451 176.600 0.050 0.000 1.058 441 K CA -0.212 56.103 56.287 0.046 0.000 1.086 441 K CB 0.732 33.256 32.500 0.041 0.000 0.827 441 K HN 0.092 nan 8.250 nan 0.000 0.481 442 L N 1.160 122.422 121.223 0.066 0.000 2.440 442 L HA 0.278 4.618 4.340 -0.000 0.000 0.262 442 L C 0.410 177.305 176.870 0.042 0.000 1.072 442 L CA -0.937 53.938 54.840 0.058 0.000 0.798 442 L CB 0.499 42.604 42.059 0.076 0.000 1.307 442 L HN 0.183 nan 8.230 nan 0.000 0.475 443 N N 0.783 119.501 118.700 0.029 0.000 3.012 443 N HA 0.203 4.943 4.740 -0.000 0.000 0.270 443 N C -0.085 175.431 175.510 0.010 0.000 1.469 443 N CA -0.273 52.788 53.050 0.019 0.000 0.928 443 N CB 0.335 38.830 38.487 0.014 0.000 1.219 443 N HN 0.553 nan 8.380 nan 0.000 0.492 444 L N -0.073 121.157 121.223 0.011 0.000 2.509 444 L HA 0.274 4.614 4.340 -0.000 0.000 0.222 444 L C 1.368 178.229 176.870 -0.016 0.000 1.123 444 L CA 0.445 55.282 54.840 -0.006 0.000 0.856 444 L CB -0.671 41.382 42.059 -0.012 0.000 0.985 444 L HN 0.669 nan 8.230 nan 0.000 0.456 445 G N 1.486 110.282 108.800 -0.008 0.000 2.598 445 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.244 445 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.244 445 G C -0.700 174.186 174.900 -0.023 0.000 1.302 445 G CA 0.115 45.208 45.100 -0.012 0.000 0.903 445 G HN 0.532 nan 8.290 nan 0.000 0.575 446 D N -1.782 118.602 120.400 -0.026 0.000 2.531 446 D HA 0.683 5.323 4.640 -0.000 0.000 0.244 446 D C -0.242 176.032 176.300 -0.043 0.000 1.090 446 D CA -1.037 52.941 54.000 -0.037 0.000 0.989 446 D CB 1.478 42.266 40.800 -0.020 0.000 1.433 446 D HN 0.668 nan 8.370 nan 0.000 0.492 447 I N 0.831 121.369 120.570 -0.053 0.000 2.437 447 I HA 0.452 4.622 4.170 -0.000 0.000 0.279 447 I C 0.804 176.897 176.117 -0.039 0.000 1.028 447 I CA -0.739 60.528 61.300 -0.055 0.000 1.142 447 I CB 1.362 39.314 38.000 -0.080 0.000 1.266 447 I HN 0.892 nan 8.210 nan 0.000 0.461 448 G N 4.259 113.043 108.800 -0.027 0.000 2.305 448 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.287 448 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.287 448 G C 0.983 175.879 174.900 -0.007 0.000 1.036 448 G CA 0.638 45.729 45.100 -0.016 0.000 0.887 448 G HN 1.352 nan 8.290 nan 0.000 0.505 449 G N -1.701 107.096 108.800 -0.005 0.000 2.194 449 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.236 449 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.236 449 G C 0.354 175.261 174.900 0.012 0.000 0.987 449 G CA 0.255 45.360 45.100 0.010 0.000 0.635 449 G HN 1.328 nan 8.290 nan 0.000 0.520 450 I N 2.762 123.322 120.570 -0.017 0.000 2.297 450 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 450 I C -2.054 174.003 176.117 -0.100 0.000 1.033 450 I CA -2.333 58.932 61.300 -0.059 0.000 1.253 450 I CB 1.537 39.500 38.000 -0.060 0.000 1.396 450 I HN -0.149 nan 8.210 nan 0.000 0.476 451 P HA 0.048 nan 4.420 nan 0.000 0.265 451 P C 0.286 177.496 177.300 -0.151 0.000 1.187 451 P CA -0.020 63.006 63.100 -0.124 0.000 0.766 451 P CB 0.525 32.153 31.700 -0.121 0.000 0.820 452 R N 0.980 121.422 120.500 -0.097 0.000 2.276 452 R HA 0.079 4.419 4.340 -0.000 0.000 0.203 452 R C -0.134 176.109 176.300 -0.095 0.000 1.017 452 R CA 0.553 56.593 56.100 -0.099 0.000 1.010 452 R CB 0.084 30.335 30.300 -0.081 0.000 0.900 452 R HN 0.309 nan 8.270 nan 0.000 0.469 453 V N 2.153 122.020 119.914 -0.078 0.000 2.407 453 V HA 0.298 4.418 4.120 -0.000 0.000 0.291 453 V C -0.503 175.537 176.094 -0.090 0.000 1.018 453 V CA -0.567 61.711 62.300 -0.038 0.000 0.842 453 V CB 1.993 33.856 31.823 0.066 0.000 0.996 453 V HN 0.092 nan 8.190 nan 0.000 0.426 454 L N 4.107 125.258 121.223 -0.120 0.000 2.324 454 L HA 0.502 4.842 4.340 -0.000 0.000 0.274 454 L C -0.507 176.388 176.870 0.042 0.000 1.012 454 L CA -0.420 54.285 54.840 -0.225 0.000 0.859 454 L CB 1.541 43.350 42.059 -0.417 0.000 1.224 454 L HN 0.552 nan 8.230 nan 0.000 0.429 455 D N 2.519 123.018 120.400 0.165 0.000 2.339 455 D HA 0.294 4.934 4.640 -0.000 0.000 0.241 455 D C 0.749 177.151 176.300 0.171 0.000 1.183 455 D CA -0.133 53.969 54.000 0.170 0.000 0.859 455 D CB 2.027 42.930 40.800 0.172 0.000 1.067 455 D HN 0.563 nan 8.370 nan 0.000 0.484 456 A N 2.909 125.828 122.820 0.166 0.000 2.123 456 A HA 0.519 4.839 4.320 -0.000 0.000 0.214 456 A C 1.288 178.987 177.584 0.192 0.000 1.152 456 A CA 1.056 53.182 52.037 0.150 0.000 0.728 456 A CB -0.196 18.884 19.000 0.133 0.000 0.814 456 A HN 0.829 nan 8.150 nan 0.000 0.464 457 G N -1.426 107.525 108.800 0.252 0.000 2.240 457 G HA2 0.048 4.008 3.960 -0.000 0.000 0.199 457 G HA3 0.048 4.008 3.960 -0.000 0.000 0.199 457 G C -0.677 174.349 174.900 0.210 0.000 1.342 457 G CA -0.311 44.959 45.100 0.282 0.000 1.145 457 G HN 0.368 nan 8.290 nan 0.000 0.477 458 Q N -0.528 119.395 119.800 0.205 0.000 2.526 458 Q HA 0.337 4.677 4.340 -0.000 0.000 0.207 458 Q C 2.166 178.309 176.000 0.237 0.000 1.078 458 Q CA 0.101 56.030 55.803 0.210 0.000 1.041 458 Q CB 0.707 29.595 28.738 0.250 0.000 1.228 458 Q HN 1.051 nan 8.270 nan 0.000 0.603 459 C N -0.713 118.779 119.300 0.320 0.000 2.422 459 C HA -0.097 4.363 4.460 -0.000 0.000 0.279 459 C C 1.728 176.849 174.990 0.218 0.000 1.305 459 C CA 0.554 59.758 59.018 0.309 0.000 1.757 459 C CB -1.339 26.640 27.740 0.398 0.000 1.962 459 C HN 0.829 nan 8.230 nan 0.000 0.499 460 N N 1.674 120.430 118.700 0.093 0.000 2.364 460 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 460 N C 0.662 176.149 175.510 -0.039 0.000 1.022 460 N CA 1.406 54.270 53.050 -0.310 0.000 0.883 460 N CB -0.736 37.404 38.487 -0.578 0.000 0.965 460 N HN 0.568 nan 8.380 nan 0.000 0.438 461 D N 0.660 121.122 120.400 0.104 0.000 2.352 461 D HA 0.067 4.707 4.640 -0.000 0.000 0.232 461 D C 0.926 177.325 176.300 0.166 0.000 1.055 461 D CA 0.123 54.224 54.000 0.167 0.000 0.891 461 D CB 0.113 41.023 40.800 0.184 0.000 0.897 461 D HN 0.189 nan 8.370 nan 0.000 0.529 462 S N 0.286 116.077 115.700 0.152 0.000 2.419 462 S HA -0.197 4.273 4.470 -0.000 0.000 0.235 462 S C 1.651 176.326 174.600 0.125 0.000 1.019 462 S CA 0.356 58.642 58.200 0.144 0.000 0.982 462 S CB -0.256 63.039 63.200 0.159 0.000 0.789 462 S HN 0.405 nan 8.310 nan 0.000 0.490 463 Y N 2.642 122.962 120.300 0.033 0.000 2.114 463 Y HA -0.258 4.292 4.550 -0.000 0.000 0.282 463 Y C 2.560 178.486 175.900 0.044 0.000 1.165 463 Y CA 1.647 59.758 58.100 0.017 0.000 1.148 463 Y CB -0.789 37.661 38.460 -0.017 0.000 0.972 463 Y HN 0.179 nan 8.280 nan 0.000 0.504 464 S N 0.287 116.027 115.700 0.066 0.000 2.383 464 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 464 S C 2.051 176.630 174.600 -0.034 0.000 1.030 464 S CA 1.551 59.793 58.200 0.070 0.000 1.002 464 S CB -0.549 62.774 63.200 0.205 0.000 0.829 464 S HN 0.469 nan 8.310 nan 0.000 0.467 465 L N 0.859 122.077 121.223 -0.009 0.000 2.046 465 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 465 L C 2.789 179.625 176.870 -0.057 0.000 1.077 465 L CA 1.196 56.024 54.840 -0.019 0.000 0.747 465 L CB -0.775 41.306 42.059 0.036 0.000 0.896 465 L HN 0.316 nan 8.230 nan 0.000 0.432 466 A N -0.070 122.692 122.820 -0.097 0.000 1.902 466 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 466 A C 2.350 179.812 177.584 -0.204 0.000 1.181 466 A CA 1.637 53.599 52.037 -0.126 0.000 0.623 466 A CB -0.814 18.088 19.000 -0.163 0.000 0.818 466 A HN 0.178 nan 8.150 nan 0.000 0.443 467 V N 0.233 119.933 119.914 -0.356 0.000 2.332 467 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 467 V C 2.410 178.413 176.094 -0.151 0.000 1.055 467 V CA 2.104 64.220 62.300 -0.307 0.000 1.038 467 V CB -0.710 30.850 31.823 -0.438 0.000 0.651 467 V HN 0.572 nan 8.190 nan 0.000 0.450 468 I N 0.284 120.786 120.570 -0.114 0.000 2.179 468 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 468 I C 2.674 178.732 176.117 -0.099 0.000 1.088 468 I CA 1.489 62.732 61.300 -0.095 0.000 1.357 468 I CB -0.596 37.335 38.000 -0.115 0.000 1.051 468 I HN 0.283 nan 8.210 nan 0.000 0.409 469 A N 0.885 123.650 122.820 -0.092 0.000 1.883 469 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 469 A C 2.288 179.863 177.584 -0.014 0.000 1.186 469 A CA 1.534 53.543 52.037 -0.046 0.000 0.624 469 A CB -0.936 18.073 19.000 0.015 0.000 0.822 469 A HN 0.392 nan 8.150 nan 0.000 0.444 470 L N -0.925 120.279 121.223 -0.032 0.000 2.131 470 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 470 L C 2.572 179.435 176.870 -0.013 0.000 1.092 470 L CA 1.713 56.541 54.840 -0.020 0.000 0.759 470 L CB -0.333 41.701 42.059 -0.042 0.000 0.903 470 L HN 0.373 nan 8.230 nan 0.000 0.435 471 K N 0.883 121.266 120.400 -0.028 0.000 2.057 471 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 471 K C 1.941 178.544 176.600 0.005 0.000 1.050 471 K CA 1.535 57.809 56.287 -0.021 0.000 0.935 471 K CB -0.373 32.107 32.500 -0.034 0.000 0.715 471 K HN 0.158 nan 8.250 nan 0.000 0.439 472 L N 0.766 122.011 121.223 0.037 0.000 2.046 472 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 472 L C 2.654 179.658 176.870 0.223 0.000 1.077 472 L CA 1.570 56.505 54.840 0.158 0.000 0.747 472 L CB -0.524 41.630 42.059 0.159 0.000 0.896 472 L HN 0.283 nan 8.230 nan 0.000 0.432 473 K N 0.557 121.033 120.400 0.127 0.000 2.032 473 K HA -0.279 4.041 4.320 -0.000 0.000 0.209 473 K C 2.058 178.717 176.600 0.097 0.000 1.048 473 K CA 1.997 58.355 56.287 0.118 0.000 0.927 473 K CB -0.049 32.491 32.500 0.065 0.000 0.712 473 K HN 0.307 nan 8.250 nan 0.000 0.441 474 E N 0.040 120.268 120.200 0.047 0.000 2.047 474 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 474 E C 1.937 178.526 176.600 -0.017 0.000 0.987 474 E CA 1.216 57.624 56.400 0.014 0.000 0.799 474 E CB 0.126 29.823 29.700 -0.006 0.000 0.752 474 E HN 0.152 nan 8.360 nan 0.000 0.449 475 V N 0.454 120.328 119.914 -0.065 0.000 2.332 475 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 475 V C 1.831 177.744 176.094 -0.302 0.000 1.055 475 V CA 1.666 63.833 62.300 -0.221 0.000 1.038 475 V CB -0.516 31.091 31.823 -0.361 0.000 0.651 475 V HN 0.296 nan 8.190 nan 0.000 0.450 476 F N 0.608 120.562 119.950 0.007 0.000 2.811 476 F HA 0.372 4.899 4.527 -0.000 0.000 0.301 476 F C 1.809 177.614 175.800 0.008 0.000 1.151 476 F CA 0.535 58.541 58.000 0.011 0.000 1.412 476 F CB -0.670 38.340 39.000 0.018 0.000 1.113 476 F HN 0.275 nan 8.300 nan 0.000 0.579 477 G N 1.554 110.423 108.800 0.115 0.000 2.295 477 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.287 477 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.287 477 G C -0.000 174.950 174.900 0.083 0.000 1.055 477 G CA -0.120 45.023 45.100 0.073 0.000 0.922 477 G HN 0.307 nan 8.290 nan 0.000 0.503 478 L N -0.445 120.837 121.223 0.098 0.000 2.334 478 L HA 0.400 4.740 4.340 -0.000 0.000 0.277 478 L C 0.947 177.845 176.870 0.047 0.000 1.075 478 L CA -1.054 53.830 54.840 0.074 0.000 0.804 478 L CB 0.973 43.081 42.059 0.082 0.000 1.174 478 L HN -0.028 nan 8.230 nan 0.000 0.438 479 D N -0.107 120.313 120.400 0.033 0.000 2.194 479 D HA -0.050 4.590 4.640 -0.000 0.000 0.204 479 D C 0.194 176.504 176.300 0.018 0.000 0.964 479 D CA 1.208 55.221 54.000 0.021 0.000 0.846 479 D CB 0.310 41.118 40.800 0.014 0.000 0.962 479 D HN 0.420 nan 8.370 nan 0.000 0.490 480 D N 0.025 120.438 120.400 0.022 0.000 2.502 480 D HA 0.118 4.758 4.640 -0.000 0.000 0.249 480 D C 0.960 177.278 176.300 0.031 0.000 1.092 480 D CA -0.575 53.437 54.000 0.019 0.000 0.839 480 D CB 1.838 42.646 40.800 0.014 0.000 1.264 480 D HN -0.103 nan 8.370 nan 0.000 0.511 481 I N 3.774 124.363 120.570 0.031 0.000 2.423 481 I HA -0.246 3.924 4.170 -0.000 0.000 0.254 481 I C 1.263 177.421 176.117 0.069 0.000 1.151 481 I CA 0.909 62.237 61.300 0.048 0.000 1.421 481 I CB 0.165 38.188 38.000 0.038 0.000 1.079 481 I HN 0.343 nan 8.210 nan 0.000 0.431 482 N N 0.783 119.518 118.700 0.057 0.000 2.512 482 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 482 N C 0.668 176.219 175.510 0.068 0.000 1.073 482 N CA 0.826 53.923 53.050 0.079 0.000 0.911 482 N CB -0.164 38.355 38.487 0.054 0.000 0.964 482 N HN 0.458 nan 8.380 nan 0.000 0.447 483 D N 0.639 121.066 120.400 0.045 0.000 2.340 483 D HA 0.102 4.742 4.640 -0.000 0.000 0.220 483 D C 0.822 177.126 176.300 0.007 0.000 1.039 483 D CA 0.016 54.031 54.000 0.025 0.000 0.866 483 D CB 0.514 41.324 40.800 0.016 0.000 0.913 483 D HN 0.209 nan 8.370 nan 0.000 0.523 484 L N 1.816 123.053 121.223 0.023 0.000 2.476 484 L HA 0.101 4.441 4.340 -0.000 0.000 0.264 484 L C -1.549 175.316 176.870 -0.008 0.000 1.224 484 L CA -1.172 53.663 54.840 -0.008 0.000 0.821 484 L CB 0.117 42.197 42.059 0.035 0.000 1.101 484 L HN -0.160 nan 8.230 nan 0.000 0.488 485 P HA 0.137 nan 4.420 nan 0.000 0.220 485 P C -1.035 176.296 177.300 0.051 0.000 1.806 485 P CA 0.131 63.218 63.100 -0.021 0.000 0.976 485 P CB 0.093 31.743 31.700 -0.084 0.000 1.952 486 V N 0.501 120.436 119.914 0.036 0.000 2.638 486 V HA 0.391 4.511 4.120 -0.000 0.000 0.306 486 V C 0.106 176.147 176.094 -0.088 0.000 1.052 486 V CA -0.378 61.907 62.300 -0.025 0.000 0.885 486 V CB 2.300 34.063 31.823 -0.099 0.000 0.999 486 V HN 0.159 nan 8.190 nan 0.000 0.424 487 S N 2.648 118.252 115.700 -0.160 0.000 2.568 487 S HA 0.789 5.259 4.470 -0.000 0.000 0.302 487 S C -1.512 172.953 174.600 -0.225 0.000 1.082 487 S CA -0.463 57.696 58.200 -0.069 0.000 1.009 487 S CB 1.454 64.657 63.200 0.006 0.000 1.069 487 S HN 0.549 nan 8.310 nan 0.000 0.500 488 Y N 1.176 121.524 120.300 0.081 0.000 2.328 488 Y HA 0.440 4.990 4.550 0.000 0.000 0.333 488 Y C -0.058 175.920 175.900 0.131 0.000 0.958 488 Y CA -0.778 57.380 58.100 0.096 0.000 1.167 488 Y CB 1.215 39.724 38.460 0.081 0.000 1.151 488 Y HN 0.497 nan 8.280 nan 0.000 0.470 489 D N 4.401 124.961 120.400 0.266 0.000 2.468 489 D HA 0.311 4.951 4.640 -0.000 0.000 0.272 489 D C -0.897 175.627 176.300 0.373 0.000 1.221 489 D CA -0.071 54.126 54.000 0.329 0.000 0.860 489 D CB 0.279 41.270 40.800 0.317 0.000 1.190 489 D HN 0.471 nan 8.370 nan 0.000 0.509 490 I N 1.486 122.250 120.570 0.323 0.000 2.396 490 I HA 0.495 4.665 4.170 -0.000 0.000 0.292 490 I C 0.609 176.871 176.117 0.241 0.000 0.999 490 I CA -0.681 60.773 61.300 0.256 0.000 1.310 490 I CB 1.695 39.839 38.000 0.241 0.000 1.404 490 I HN 0.269 nan 8.210 nan 0.000 0.496 491 A N 7.884 130.746 122.820 0.069 0.000 2.312 491 A HA 0.691 5.011 4.320 -0.000 0.000 0.326 491 A C -1.010 176.732 177.584 0.264 0.000 1.172 491 A CA -0.488 51.553 52.037 0.006 0.000 0.821 491 A CB 0.817 19.519 19.000 -0.497 0.000 1.166 491 A HN 0.822 nan 8.150 nan 0.000 0.493 492 W N 1.792 123.164 121.300 0.119 0.000 2.962 492 W HA 0.639 5.299 4.660 -0.000 0.000 0.341 492 W C -1.260 175.421 176.519 0.270 0.000 1.155 492 W CA -0.857 56.591 57.345 0.172 0.000 1.165 492 W CB 1.133 30.672 29.460 0.132 0.000 1.435 492 W HN 0.738 nan 8.180 nan 0.000 0.546 493 Y N 1.089 121.373 120.300 -0.028 0.000 3.199 493 Y HA 0.158 4.708 4.550 0.000 0.000 0.211 493 Y C 0.440 176.282 175.900 -0.096 0.000 0.959 493 Y CA 1.404 59.344 58.100 -0.266 0.000 1.528 493 Y CB 0.158 38.636 38.460 0.030 0.000 1.487 493 Y HN 0.459 nan 8.280 nan 0.000 0.403 494 E N -0.008 120.164 120.200 -0.047 0.000 2.754 494 E HA 0.340 4.690 4.350 -0.000 0.000 0.224 494 E C 0.579 177.257 176.600 0.129 0.000 0.851 494 E CA -0.293 56.032 56.400 -0.125 0.000 1.047 494 E CB 0.324 29.875 29.700 -0.248 0.000 1.584 494 E HN 0.089 nan 8.360 nan 0.000 0.429 495 Q N -0.252 119.553 119.800 0.008 0.000 2.245 495 Q HA 0.114 4.454 4.340 -0.000 0.000 0.201 495 Q C 1.604 177.567 176.000 -0.061 0.000 0.955 495 Q CA 1.125 56.913 55.803 -0.025 0.000 0.870 495 Q CB -0.051 28.623 28.738 -0.106 0.000 0.945 495 Q HN 0.383 nan 8.270 nan 0.000 0.461 496 K N 0.327 120.669 120.400 -0.096 0.000 2.097 496 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 496 K C 2.000 178.639 176.600 0.065 0.000 1.049 496 K CA 1.096 57.278 56.287 -0.174 0.000 0.933 496 K CB -0.165 32.190 32.500 -0.241 0.000 0.717 496 K HN 0.211 nan 8.250 nan 0.000 0.442 497 A N 0.868 123.791 122.820 0.173 0.000 1.972 497 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 497 A C 2.269 179.956 177.584 0.173 0.000 1.169 497 A CA 1.259 53.444 52.037 0.247 0.000 0.635 497 A CB -0.483 18.747 19.000 0.384 0.000 0.810 497 A HN 0.071 nan 8.150 nan 0.000 0.446 498 V N -0.196 119.792 119.914 0.124 0.000 2.358 498 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 498 V C 3.022 179.122 176.094 0.011 0.000 1.047 498 V CA 1.784 64.100 62.300 0.027 0.000 1.035 498 V CB -1.251 30.574 31.823 0.004 0.000 0.658 498 V HN 0.600 nan 8.190 nan 0.000 0.452 499 A N -0.048 122.782 122.820 0.017 0.000 1.902 499 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 499 A C 2.408 180.049 177.584 0.094 0.000 1.181 499 A CA 2.084 54.141 52.037 0.034 0.000 0.623 499 A CB -0.682 18.327 19.000 0.015 0.000 0.818 499 A HN 0.334 nan 8.150 nan 0.000 0.443 500 V N -0.236 119.769 119.914 0.152 0.000 2.295 500 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 500 V C 2.496 178.638 176.094 0.081 0.000 1.049 500 V CA 2.003 64.398 62.300 0.158 0.000 1.024 500 V CB -0.862 31.084 31.823 0.205 0.000 0.648 500 V HN 0.610 nan 8.190 nan 0.000 0.447 501 L N -0.212 121.039 121.223 0.046 0.000 2.013 501 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 501 L C 2.217 179.044 176.870 -0.073 0.000 1.073 501 L CA 1.987 56.811 54.840 -0.027 0.000 0.753 501 L CB -0.545 41.470 42.059 -0.072 0.000 0.890 501 L HN 0.220 nan 8.230 nan 0.000 0.432 502 L N -0.822 120.367 121.223 -0.057 0.000 2.083 502 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 502 L C 2.684 179.541 176.870 -0.021 0.000 1.083 502 L CA 1.080 55.877 54.840 -0.072 0.000 0.752 502 L CB -1.013 41.021 42.059 -0.043 0.000 0.899 502 L HN 0.404 nan 8.230 nan 0.000 0.433 503 A N 0.426 123.256 122.820 0.015 0.000 1.877 503 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 503 A C 2.254 179.885 177.584 0.078 0.000 1.186 503 A CA 1.468 53.541 52.037 0.061 0.000 0.620 503 A CB -0.742 18.304 19.000 0.077 0.000 0.822 503 A HN 0.352 nan 8.150 nan 0.000 0.443 504 L N -0.538 120.692 121.223 0.012 0.000 2.083 504 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 504 L C 2.523 179.334 176.870 -0.098 0.000 1.083 504 L CA 1.006 55.817 54.840 -0.048 0.000 0.752 504 L CB -0.555 41.439 42.059 -0.109 0.000 0.899 504 L HN 0.385 nan 8.230 nan 0.000 0.433 505 L N -1.471 119.652 121.223 -0.166 0.000 2.093 505 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 505 L C 2.547 179.347 176.870 -0.116 0.000 1.085 505 L CA 1.202 55.846 54.840 -0.327 0.000 0.755 505 L CB -0.578 41.025 42.059 -0.760 0.000 0.904 505 L HN 0.176 nan 8.230 nan 0.000 0.435 506 F N 0.883 120.753 119.950 -0.133 0.000 2.171 506 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 506 F C 2.038 177.829 175.800 -0.015 0.000 1.090 506 F CA 1.313 59.286 58.000 -0.045 0.000 1.293 506 F CB -0.065 38.907 39.000 -0.047 0.000 1.013 506 F HN -0.109 nan 8.300 nan 0.000 0.486 507 L N 0.101 121.371 121.223 0.078 0.000 2.622 507 L HA 0.119 4.459 4.340 -0.000 0.000 0.233 507 L C 1.648 178.484 176.870 -0.057 0.000 1.156 507 L CA 0.725 55.570 54.840 0.008 0.000 0.866 507 L CB -1.153 40.941 42.059 0.058 0.000 0.980 507 L HN 0.464 nan 8.230 nan 0.000 0.448 508 G N -0.064 108.701 108.800 -0.058 0.000 2.136 508 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.242 508 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.242 508 G C 0.145 175.035 174.900 -0.016 0.000 0.989 508 G CA -0.040 45.050 45.100 -0.018 0.000 0.682 508 G HN 0.102 nan 8.290 nan 0.000 0.522 509 V N 1.643 121.512 119.914 -0.076 0.000 2.508 509 V HA 0.459 4.579 4.120 -0.000 0.000 0.281 509 V C 0.430 176.470 176.094 -0.090 0.000 1.041 509 V CA -0.129 62.070 62.300 -0.169 0.000 1.016 509 V CB 1.323 32.886 31.823 -0.434 0.000 0.984 509 V HN 0.265 nan 8.190 nan 0.000 0.478 510 K N 2.786 123.163 120.400 -0.039 0.000 2.281 510 K HA 0.660 4.980 4.320 -0.000 0.000 0.242 510 K C 0.913 177.529 176.600 0.027 0.000 0.971 510 K CA -0.112 56.197 56.287 0.037 0.000 0.834 510 K CB 1.674 34.206 32.500 0.053 0.000 1.181 510 K HN 0.895 nan 8.250 nan 0.000 0.435 511 G N 0.995 109.829 108.800 0.056 0.000 2.136 511 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 511 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 511 G C 0.146 175.100 174.900 0.091 0.000 0.989 511 G CA -0.104 45.039 45.100 0.072 0.000 0.682 511 G HN 0.503 nan 8.290 nan 0.000 0.522 512 I N 0.623 121.226 120.570 0.056 0.000 2.710 512 I HA 0.139 4.309 4.170 -0.000 0.000 0.286 512 I C 1.283 177.467 176.117 0.111 0.000 1.181 512 I CA 0.113 61.468 61.300 0.092 0.000 1.430 512 I CB 0.431 38.435 38.000 0.008 0.000 1.367 512 I HN 0.073 nan 8.210 nan 0.000 0.577 513 R N 5.395 125.994 120.500 0.165 0.000 2.254 513 R HA 0.497 4.837 4.340 -0.000 0.000 0.318 513 R C -0.993 175.414 176.300 0.179 0.000 1.031 513 R CA -0.784 55.409 56.100 0.155 0.000 0.905 513 R CB 1.149 31.561 30.300 0.186 0.000 1.050 513 R HN 0.356 nan 8.270 nan 0.000 0.456 514 L N 2.164 123.470 121.223 0.138 0.000 2.362 514 L HA 0.773 5.113 4.340 -0.000 0.000 0.275 514 L C -0.431 176.584 176.870 0.242 0.000 0.998 514 L CA 0.116 55.059 54.840 0.171 0.000 0.820 514 L CB 2.030 44.108 42.059 0.031 0.000 1.270 514 L HN 0.730 nan 8.230 nan 0.000 0.415 515 G N 3.878 112.927 108.800 0.415 0.000 2.495 515 G HA2 0.453 4.413 3.960 -0.000 0.000 0.294 515 G HA3 0.453 4.413 3.960 -0.000 0.000 0.294 515 G C -2.975 172.192 174.900 0.446 0.000 1.397 515 G CA -0.343 45.002 45.100 0.409 0.000 0.790 515 G HN 0.334 nan 8.290 nan 0.000 0.486 516 P HA 0.176 nan 4.420 nan 0.000 0.259 516 P C 0.596 177.945 177.300 0.081 0.000 1.233 516 P CA 0.677 63.870 63.100 0.154 0.000 0.827 516 P CB 0.885 32.657 31.700 0.119 0.000 1.154 517 T N -2.627 112.028 114.554 0.168 0.000 2.865 517 T HA 0.617 4.967 4.350 -0.000 0.000 0.294 517 T C -0.420 174.468 174.700 0.313 0.000 1.119 517 T CA -0.887 61.312 62.100 0.165 0.000 1.007 517 T CB 1.186 70.123 68.868 0.116 0.000 1.225 517 T HN -0.206 nan 8.240 nan 0.000 0.515 518 L N 1.279 122.600 121.223 0.163 0.000 2.379 518 L HA 0.511 4.851 4.340 -0.000 0.000 0.269 518 L C -2.280 174.594 176.870 0.007 0.000 1.084 518 L CA -2.571 52.302 54.840 0.055 0.000 0.802 518 L CB 0.964 42.992 42.059 -0.052 0.000 1.175 518 L HN 0.469 nan 8.230 nan 0.000 0.448 519 P HA -0.046 nan 4.420 nan 0.000 0.265 519 P C -0.073 176.902 177.300 -0.540 0.000 1.187 519 P CA 0.107 62.835 63.100 -0.620 0.000 0.766 519 P CB 0.748 31.371 31.700 -1.794 0.000 0.820 520 A N 3.114 125.711 122.820 -0.371 0.000 2.119 520 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 520 A C 1.315 178.696 177.584 -0.338 0.000 1.152 520 A CA 0.813 52.743 52.037 -0.177 0.000 0.708 520 A CB -1.266 17.786 19.000 0.087 0.000 0.805 520 A HN 0.657 nan 8.150 nan 0.000 0.460 521 F N -1.223 118.356 119.950 -0.619 0.000 2.804 521 F HA 0.460 4.986 4.527 -0.000 0.000 0.303 521 F C 0.040 175.651 175.800 -0.315 0.000 1.154 521 F CA -0.530 56.936 58.000 -0.890 0.000 1.401 521 F CB -0.583 37.705 39.000 -1.186 0.000 1.106 521 F HN -0.106 nan 8.300 nan 0.000 0.568 522 L N 2.272 123.315 121.223 -0.301 0.000 2.262 522 L HA 0.363 4.703 4.340 -0.000 0.000 0.288 522 L C 0.622 177.464 176.870 -0.047 0.000 1.035 522 L CA -0.908 53.850 54.840 -0.137 0.000 0.820 522 L CB 1.045 42.981 42.059 -0.205 0.000 1.204 522 L HN 0.263 nan 8.230 nan 0.000 0.424 523 S N 2.869 118.581 115.700 0.021 0.000 2.608 523 S HA 0.296 4.766 4.470 -0.000 0.000 0.261 523 S C -1.816 172.794 174.600 0.016 0.000 1.314 523 S CA -1.025 57.199 58.200 0.039 0.000 0.992 523 S CB 0.841 64.077 63.200 0.059 0.000 0.935 523 S HN 0.365 nan 8.310 nan 0.000 0.564 524 P HA -0.090 nan 4.420 nan 0.000 0.216 524 P C 1.017 178.324 177.300 0.011 0.000 1.153 524 P CA 1.239 64.346 63.100 0.012 0.000 0.858 524 P CB -0.095 31.614 31.700 0.016 0.000 0.789 525 N N -1.052 117.658 118.700 0.017 0.000 2.188 525 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 525 N C 1.711 177.233 175.510 0.020 0.000 1.018 525 N CA 0.852 53.913 53.050 0.017 0.000 0.858 525 N CB -1.025 37.474 38.487 0.019 0.000 0.989 525 N HN 0.011 nan 8.380 nan 0.000 0.426 526 V N 1.357 121.286 119.914 0.025 0.000 2.379 526 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 526 V C 2.373 178.481 176.094 0.023 0.000 1.044 526 V CA 1.567 63.886 62.300 0.031 0.000 1.036 526 V CB -0.880 30.966 31.823 0.039 0.000 0.664 526 V HN 0.254 nan 8.190 nan 0.000 0.453 527 A N 0.129 122.951 122.820 0.003 0.000 1.902 527 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 527 A C 2.311 179.900 177.584 0.008 0.000 1.181 527 A CA 2.290 54.321 52.037 -0.009 0.000 0.623 527 A CB -0.488 18.496 19.000 -0.027 0.000 0.818 527 A HN 0.542 nan 8.150 nan 0.000 0.443 528 K N -0.337 120.068 120.400 0.008 0.000 2.097 528 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 528 K C 1.717 178.322 176.600 0.009 0.000 1.049 528 K CA 1.514 57.805 56.287 0.007 0.000 0.933 528 K CB -0.253 32.249 32.500 0.003 0.000 0.717 528 K HN 0.210 nan 8.250 nan 0.000 0.442 529 V N 1.594 121.518 119.914 0.018 0.000 2.343 529 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 529 V C 2.264 178.386 176.094 0.045 0.000 1.051 529 V CA 1.620 63.931 62.300 0.018 0.000 1.036 529 V CB -0.348 31.496 31.823 0.036 0.000 0.654 529 V HN 0.333 nan 8.190 nan 0.000 0.451 530 L N -0.633 120.653 121.223 0.104 0.000 2.083 530 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 530 L C 2.435 179.403 176.870 0.163 0.000 1.083 530 L CA 1.034 56.008 54.840 0.223 0.000 0.752 530 L CB -0.577 41.567 42.059 0.141 0.000 0.899 530 L HN 0.199 nan 8.230 nan 0.000 0.433 531 V N -0.146 119.808 119.914 0.066 0.000 2.307 531 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 531 V C 2.324 178.417 176.094 -0.002 0.000 1.045 531 V CA 1.716 64.038 62.300 0.036 0.000 1.024 531 V CB -0.430 31.402 31.823 0.016 0.000 0.651 531 V HN 0.453 nan 8.190 nan 0.000 0.449 532 E N 0.612 120.794 120.200 -0.030 0.000 2.031 532 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 532 E C 2.069 178.578 176.600 -0.152 0.000 0.994 532 E CA 1.677 58.034 56.400 -0.072 0.000 0.800 532 E CB -0.268 29.391 29.700 -0.068 0.000 0.752 532 E HN 0.560 nan 8.360 nan 0.000 0.447 533 N N -0.291 118.247 118.700 -0.271 0.000 2.216 533 N HA -0.064 4.676 4.740 -0.000 0.000 0.183 533 N C 0.991 176.056 175.510 -0.742 0.000 1.017 533 N CA 1.019 53.700 53.050 -0.615 0.000 0.861 533 N CB 0.034 37.921 38.487 -0.999 0.000 0.986 533 N HN 0.125 nan 8.380 nan 0.000 0.428 534 F N -0.638 119.296 119.950 -0.027 0.000 2.746 534 F HA 0.325 4.852 4.527 -0.000 0.000 0.320 534 F C 0.465 176.247 175.800 -0.030 0.000 1.097 534 F CA -0.639 57.341 58.000 -0.034 0.000 1.195 534 F CB -0.501 38.475 39.000 -0.039 0.000 1.056 534 F HN -0.051 nan 8.300 nan 0.000 0.562 535 N N 1.758 120.517 118.700 0.098 0.000 2.740 535 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 535 N C -0.310 175.246 175.510 0.075 0.000 1.062 535 N CA -0.198 52.891 53.050 0.064 0.000 0.704 535 N CB -0.704 37.809 38.487 0.044 0.000 0.968 535 N HN 0.219 nan 8.380 nan 0.000 0.547 536 I N 1.045 121.667 120.570 0.087 0.000 2.588 536 I HA 0.055 4.225 4.170 -0.000 0.000 0.283 536 I C 0.562 176.701 176.117 0.036 0.000 1.119 536 I CA 0.628 61.960 61.300 0.052 0.000 1.419 536 I CB 0.773 38.789 38.000 0.026 0.000 1.394 536 I HN 0.097 nan 8.210 nan 0.000 0.562 537 K N 7.213 127.636 120.400 0.039 0.000 2.385 537 K HA 0.544 4.864 4.320 -0.000 0.000 0.248 537 K C -2.554 174.066 176.600 0.033 0.000 0.955 537 K CA -1.601 54.708 56.287 0.035 0.000 0.816 537 K CB 2.091 34.620 32.500 0.048 0.000 1.250 537 K HN 0.280 nan 8.250 nan 0.000 0.434 538 P HA 0.214 nan 4.420 nan 0.000 0.278 538 P C -0.315 176.975 177.300 -0.016 0.000 1.266 538 P CA -0.587 62.517 63.100 0.007 0.000 0.807 538 P CB 0.467 32.164 31.700 -0.006 0.000 1.094 539 I N -2.313 118.203 120.570 -0.089 0.000 2.882 539 I HA 0.603 4.773 4.170 -0.000 0.000 0.286 539 I C 0.572 176.594 176.117 -0.158 0.000 1.139 539 I CA -0.266 60.902 61.300 -0.220 0.000 1.379 539 I CB 0.313 37.870 38.000 -0.738 0.000 1.410 539 I HN 0.370 nan 8.210 nan 0.000 0.594 540 G N 2.373 111.123 108.800 -0.082 0.000 3.211 540 G HA2 0.543 4.503 3.960 -0.000 0.000 0.167 540 G HA3 0.543 4.503 3.960 -0.000 0.000 0.167 540 G C -0.354 174.579 174.900 0.054 0.000 1.212 540 G CA -0.015 45.080 45.100 -0.009 0.000 0.928 540 G HN 0.860 nan 8.290 nan 0.000 0.607 541 T N -1.698 112.908 114.554 0.087 0.000 2.828 541 T HA 0.313 4.663 4.350 -0.000 0.000 0.290 541 T C 1.462 176.272 174.700 0.183 0.000 1.019 541 T CA -0.036 62.135 62.100 0.119 0.000 1.031 541 T CB 1.425 70.329 68.868 0.059 0.000 1.001 541 T HN 0.214 nan 8.240 nan 0.000 0.531 542 V N 2.015 122.003 119.914 0.123 0.000 2.287 542 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 542 V C 2.920 178.999 176.094 -0.026 0.000 1.053 542 V CA 1.989 64.267 62.300 -0.037 0.000 1.027 542 V CB -1.095 30.652 31.823 -0.127 0.000 0.646 542 V HN 0.830 nan 8.190 nan 0.000 0.447 543 Q N -0.022 119.774 119.800 -0.005 0.000 2.050 543 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 543 Q C 1.999 178.004 176.000 0.008 0.000 0.980 543 Q CA 1.957 57.756 55.803 -0.007 0.000 0.840 543 Q CB -0.514 28.222 28.738 -0.004 0.000 0.898 543 Q HN 0.595 nan 8.270 nan 0.000 0.424 544 D N 0.214 120.631 120.400 0.028 0.000 2.117 544 D HA -0.125 4.514 4.640 -0.000 0.000 0.197 544 D C 1.214 177.539 176.300 0.043 0.000 0.987 544 D CA 1.184 55.203 54.000 0.032 0.000 0.829 544 D CB -0.230 40.592 40.800 0.038 0.000 0.961 544 D HN 0.203 nan 8.370 nan 0.000 0.460 545 D N -0.046 120.397 120.400 0.072 0.000 2.117 545 D HA -0.033 4.607 4.640 -0.000 0.000 0.198 545 D C 2.258 178.583 176.300 0.041 0.000 0.982 545 D CA 0.307 54.361 54.000 0.091 0.000 0.828 545 D CB -0.201 40.719 40.800 0.200 0.000 0.967 545 D HN 0.234 nan 8.370 nan 0.000 0.464 546 I N 1.070 121.640 120.570 0.000 0.000 2.179 546 I HA -0.276 3.893 4.170 -0.000 0.000 0.242 546 I C 2.421 178.529 176.117 -0.015 0.000 1.088 546 I CA 1.093 62.378 61.300 -0.026 0.000 1.357 546 I CB -0.229 37.739 38.000 -0.055 0.000 1.051 546 I HN -0.062 nan 8.210 nan 0.000 0.409 547 A N 0.721 123.536 122.820 -0.008 0.000 1.908 547 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 547 A C 2.524 180.108 177.584 0.001 0.000 1.181 547 A CA 2.108 54.141 52.037 -0.007 0.000 0.627 547 A CB -0.889 18.109 19.000 -0.003 0.000 0.818 547 A HN 0.457 nan 8.150 nan 0.000 0.445 548 A N -0.676 122.152 122.820 0.014 0.000 1.873 548 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 548 A C 2.280 179.877 177.584 0.021 0.000 1.186 548 A CA 1.759 53.808 52.037 0.021 0.000 0.616 548 A CB -0.544 18.477 19.000 0.035 0.000 0.823 548 A HN 0.520 nan 8.150 nan 0.000 0.442 549 M N -1.173 118.442 119.600 0.024 0.000 2.159 549 M HA -0.152 4.328 4.480 -0.000 0.000 0.263 549 M C 2.056 178.355 176.300 -0.003 0.000 1.063 549 M CA 1.254 56.566 55.300 0.021 0.000 1.110 549 M CB -0.437 32.175 32.600 0.021 0.000 1.374 549 M HN 0.292 nan 8.290 nan 0.000 0.411 550 M N -0.268 119.322 119.600 -0.016 0.000 2.374 550 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 550 M C 2.111 178.397 176.300 -0.024 0.000 1.067 550 M CA 1.127 56.409 55.300 -0.031 0.000 1.103 550 M CB -1.379 31.198 32.600 -0.038 0.000 1.402 550 M HN 0.272 nan 8.290 nan 0.000 0.444 551 A N -0.771 122.042 122.820 -0.011 0.000 2.251 551 A HA 0.435 4.755 4.320 -0.000 0.000 0.209 551 A C 1.630 179.213 177.584 -0.001 0.000 1.187 551 A CA 0.791 52.824 52.037 -0.008 0.000 0.823 551 A CB -0.718 18.280 19.000 -0.002 0.000 0.846 551 A HN 0.616 nan 8.150 nan 0.000 0.486 552 G N -0.746 108.056 108.800 0.003 0.000 2.147 552 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 552 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 552 G C 0.127 175.045 174.900 0.031 0.000 1.005 552 G CA 0.794 45.904 45.100 0.015 0.000 0.713 552 G HN 0.612 nan 8.290 nan 0.000 0.515 553 K N 0.000 120.420 120.400 0.033 0.000 2.780 553 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 553 K CA 0.000 56.311 56.287 0.040 0.000 0.838 553 K CB 0.000 32.516 32.500 0.027 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543