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 2npk_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF MMICTALVLF MTIPGIALFY GGLIRGKNVL SMLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLAFGEGN NFFGNINWLM LKNIELTAVM GSIYQYIHVA DATA SEQUENCE FQGSFACITV GLIVGALAER IRFSAVLIFV VVWLTLSYIP IAHMVWGGGL DATA SEQUENCE LASHGALDFA GGTVVAINAA IAGLVGAYLI GKRVXXXXXX FKPHNLPMVF DATA SEQUENCE TGTAILYIGW FGFNAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGKPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTML DATA SEQUENCE KRLLXXDDPC DVFGVAGVCG IVGCIMTGIF AASSLGGVGF AEGVTMGHQL DATA SEQUENCE LVQLESIAIT IVWSGVVAFI GYKLADLTVG LRVP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.570 177.584 -0.023 0.000 1.274 3 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 3 A CB 0.000 19.002 19.000 0.004 0.000 0.831 4 V N 2.501 122.388 119.914 -0.045 0.000 2.581 4 V HA 0.880 5.000 4.120 -0.000 0.000 0.303 4 V C 0.561 176.568 176.094 -0.146 0.000 1.041 4 V CA 0.069 62.326 62.300 -0.072 0.000 0.907 4 V CB 1.672 33.469 31.823 -0.044 0.000 0.994 4 V HN 1.989 nan 8.190 nan 0.000 0.442 5 A N 4.529 127.185 122.820 -0.272 0.000 2.401 5 A HA 0.422 4.742 4.320 -0.000 0.000 0.259 5 A C -0.051 177.383 177.584 -0.249 0.000 1.103 5 A CA -0.253 51.529 52.037 -0.425 0.000 0.789 5 A CB 0.266 18.601 19.000 -1.108 0.000 1.035 5 A HN 0.914 nan 8.150 nan 0.000 0.491 6 D N 2.177 122.465 120.400 -0.187 0.000 2.317 6 D HA 0.173 4.813 4.640 -0.000 0.000 0.234 6 D C 0.686 176.932 176.300 -0.091 0.000 1.112 6 D CA -0.316 53.619 54.000 -0.108 0.000 0.840 6 D CB 0.879 41.630 40.800 -0.082 0.000 1.078 6 D HN 0.547 nan 8.370 nan 0.000 0.486 7 K N 2.354 122.723 120.400 -0.052 0.000 2.152 7 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 7 K C 1.745 178.344 176.600 -0.002 0.000 1.048 7 K CA 1.164 57.445 56.287 -0.010 0.000 0.933 7 K CB 0.101 32.608 32.500 0.013 0.000 0.721 7 K HN 0.453 nan 8.250 nan 0.000 0.447 8 A N 1.978 124.789 122.820 -0.016 0.000 1.898 8 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 8 A C 1.634 179.228 177.584 0.017 0.000 1.181 8 A CA 1.761 53.793 52.037 -0.008 0.000 0.620 8 A CB -0.283 18.693 19.000 -0.040 0.000 0.819 8 A HN 0.165 nan 8.150 nan 0.000 0.442 9 D N 0.072 120.467 120.400 -0.009 0.000 2.144 9 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 9 D C 1.612 177.926 176.300 0.023 0.000 0.978 9 D CA 0.965 54.976 54.000 0.018 0.000 0.833 9 D CB -0.400 40.377 40.800 -0.039 0.000 0.961 9 D HN 0.325 nan 8.370 nan 0.000 0.470 10 N N 1.131 119.823 118.700 -0.012 0.000 2.043 10 N HA -0.139 4.601 4.740 -0.000 0.000 0.193 10 N C 1.809 177.336 175.510 0.029 0.000 1.037 10 N CA 1.447 54.498 53.050 0.002 0.000 0.851 10 N CB -0.485 38.031 38.487 0.047 0.000 1.027 10 N HN 0.125 nan 8.380 nan 0.000 0.422 11 A N 0.791 123.643 122.820 0.053 0.000 1.865 11 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 11 A C 2.184 179.823 177.584 0.091 0.000 1.191 11 A CA 1.328 53.404 52.037 0.065 0.000 0.623 11 A CB -1.143 17.898 19.000 0.068 0.000 0.826 11 A HN 0.295 nan 8.150 nan 0.000 0.444 12 F N 0.158 120.083 119.950 -0.042 0.000 2.095 12 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 12 F C 2.262 178.023 175.800 -0.065 0.000 1.104 12 F CA 2.069 60.045 58.000 -0.041 0.000 1.232 12 F CB -0.225 38.743 39.000 -0.054 0.000 0.987 12 F HN 0.107 nan 8.300 nan 0.000 0.475 13 M N -0.657 118.845 119.600 -0.164 0.000 2.254 13 M HA -0.170 4.310 4.480 -0.000 0.000 0.265 13 M C 2.263 178.442 176.300 -0.202 0.000 1.066 13 M CA 1.401 56.488 55.300 -0.355 0.000 1.123 13 M CB -1.194 31.180 32.600 -0.376 0.000 1.388 13 M HN 0.291 nan 8.290 nan 0.000 0.425 14 M N -0.375 119.171 119.600 -0.091 0.000 2.156 14 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 14 M C 1.949 178.233 176.300 -0.027 0.000 1.067 14 M CA 1.078 56.363 55.300 -0.025 0.000 1.131 14 M CB -0.234 32.368 32.600 0.003 0.000 1.368 14 M HN 0.106 nan 8.290 nan 0.000 0.416 15 I N -0.168 120.369 120.570 -0.055 0.000 2.226 15 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 15 I C 2.479 178.559 176.117 -0.061 0.000 1.100 15 I CA 1.289 62.561 61.300 -0.046 0.000 1.374 15 I CB -1.559 36.430 38.000 -0.019 0.000 1.057 15 I HN 0.394 nan 8.210 nan 0.000 0.413 16 C N 0.627 119.823 119.300 -0.173 0.000 2.422 16 C HA -0.134 4.326 4.460 -0.000 0.000 0.279 16 C C 2.973 178.046 174.990 0.139 0.000 1.305 16 C CA 1.316 60.276 59.018 -0.096 0.000 1.757 16 C CB -1.118 26.423 27.740 -0.333 0.000 1.962 16 C HN 0.533 nan 8.230 nan 0.000 0.499 17 T N 1.041 115.692 114.554 0.163 0.000 2.777 17 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 17 T C 2.172 176.928 174.700 0.094 0.000 1.040 17 T CA 1.533 63.758 62.100 0.207 0.000 1.141 17 T CB -0.402 68.582 68.868 0.192 0.000 0.868 17 T HN 0.625 nan 8.240 nan 0.000 0.444 18 A N 1.317 124.172 122.820 0.059 0.000 1.908 18 A HA -0.015 4.304 4.320 -0.000 0.000 0.218 18 A C 2.300 179.920 177.584 0.061 0.000 1.181 18 A CA 1.248 53.307 52.037 0.037 0.000 0.627 18 A CB -0.906 18.089 19.000 -0.009 0.000 0.818 18 A HN 0.472 nan 8.150 nan 0.000 0.445 19 L N -0.608 120.661 121.223 0.076 0.000 2.083 19 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 19 L C 2.496 179.443 176.870 0.129 0.000 1.083 19 L CA 1.014 55.944 54.840 0.150 0.000 0.752 19 L CB -0.446 41.699 42.059 0.142 0.000 0.899 19 L HN 0.265 nan 8.230 nan 0.000 0.433 20 V N -0.102 119.840 119.914 0.046 0.000 2.358 20 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 20 V C 2.363 178.425 176.094 -0.054 0.000 1.047 20 V CA 1.386 63.637 62.300 -0.082 0.000 1.035 20 V CB -0.344 31.334 31.823 -0.241 0.000 0.658 20 V HN 0.337 nan 8.190 nan 0.000 0.452 21 L N -1.112 120.131 121.223 0.032 0.000 2.079 21 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 21 L C 2.431 179.342 176.870 0.068 0.000 1.081 21 L CA 1.636 56.528 54.840 0.086 0.000 0.752 21 L CB -0.677 41.469 42.059 0.145 0.000 0.896 21 L HN 0.325 nan 8.230 nan 0.000 0.433 22 F N 0.762 120.665 119.950 -0.080 0.000 2.202 22 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 22 F C 2.386 178.117 175.800 -0.115 0.000 1.082 22 F CA 1.369 59.316 58.000 -0.088 0.000 1.313 22 F CB -0.362 38.609 39.000 -0.048 0.000 1.024 22 F HN 0.015 nan 8.300 nan 0.000 0.495 23 M N -1.092 118.429 119.600 -0.131 0.000 2.213 23 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 23 M C 1.830 177.985 176.300 -0.243 0.000 1.062 23 M CA 2.115 57.249 55.300 -0.276 0.000 1.105 23 M CB -0.646 31.746 32.600 -0.347 0.000 1.385 23 M HN 0.023 nan 8.290 nan 0.000 0.417 24 T N 0.139 114.583 114.554 -0.185 0.000 2.866 24 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 24 T C 0.862 175.420 174.700 -0.235 0.000 1.033 24 T CA 0.568 62.563 62.100 -0.174 0.000 1.145 24 T CB 0.318 69.113 68.868 -0.121 0.000 0.866 24 T HN 0.052 nan 8.240 nan 0.000 0.434 25 I N 3.564 123.953 120.570 -0.301 0.000 2.347 25 I HA 0.271 4.441 4.170 -0.000 0.000 0.283 25 I C -2.087 173.998 176.117 -0.053 0.000 1.058 25 I CA -2.451 58.684 61.300 -0.275 0.000 1.202 25 I CB 1.003 38.683 38.000 -0.533 0.000 1.386 25 I HN 0.096 nan 8.210 nan 0.000 0.475 26 P HA 0.171 nan 4.420 nan 0.000 0.282 26 P C 1.271 178.481 177.300 -0.151 0.000 1.373 26 P CA 0.132 63.169 63.100 -0.105 0.000 1.001 26 P CB 1.041 32.717 31.700 -0.039 0.000 1.489 27 G N 2.205 110.843 108.800 -0.269 0.000 2.802 27 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.222 27 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.222 27 G C 1.304 176.126 174.900 -0.130 0.000 1.248 27 G CA 1.277 46.216 45.100 -0.269 0.000 0.787 27 G HN 0.280 nan 8.290 nan 0.000 0.643 28 I N 1.815 122.316 120.570 -0.116 0.000 2.361 28 I HA 0.028 4.198 4.170 -0.000 0.000 0.251 28 I C 2.990 179.185 176.117 0.130 0.000 1.133 28 I CA 1.289 62.571 61.300 -0.031 0.000 1.413 28 I CB -0.389 37.599 38.000 -0.020 0.000 1.073 28 I HN 0.245 nan 8.210 nan 0.000 0.424 29 A N -0.079 122.788 122.820 0.077 0.000 1.930 29 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 29 A C 2.276 179.927 177.584 0.112 0.000 1.175 29 A CA 1.519 53.623 52.037 0.113 0.000 0.627 29 A CB -0.793 18.230 19.000 0.038 0.000 0.815 29 A HN 0.456 nan 8.150 nan 0.000 0.443 30 L N -2.275 118.980 121.223 0.054 0.000 2.109 30 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 30 L C 2.437 179.327 176.870 0.034 0.000 1.086 30 L CA 1.170 56.029 54.840 0.031 0.000 0.760 30 L CB -0.520 41.531 42.059 -0.013 0.000 0.910 30 L HN 0.487 nan 8.230 nan 0.000 0.437 31 F N 0.248 120.130 119.950 -0.114 0.000 2.046 31 F HA -0.320 4.207 4.527 -0.000 0.000 0.297 31 F C 2.408 178.120 175.800 -0.146 0.000 1.123 31 F CA 1.814 59.698 58.000 -0.193 0.000 1.199 31 F CB -0.399 38.399 39.000 -0.337 0.000 0.972 31 F HN -0.068 nan 8.300 nan 0.000 0.474 32 Y N 0.418 120.805 120.300 0.145 0.000 2.242 32 Y HA -0.012 4.538 4.550 0.000 0.000 0.291 32 Y C 2.717 178.626 175.900 0.015 0.000 1.137 32 Y CA 1.121 59.254 58.100 0.055 0.000 1.181 32 Y CB -1.368 37.147 38.460 0.091 0.000 0.989 32 Y HN 0.144 nan 8.280 nan 0.000 0.527 33 G N -0.668 108.244 108.800 0.187 0.000 2.475 33 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 33 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 33 G C 1.968 176.968 174.900 0.167 0.000 1.125 33 G CA 1.036 46.229 45.100 0.154 0.000 0.755 33 G HN 0.528 nan 8.290 nan 0.000 0.565 34 G N -0.017 108.783 108.800 -0.000 0.000 2.683 34 G HA2 0.146 4.106 3.960 -0.000 0.000 0.213 34 G HA3 0.146 4.106 3.960 -0.000 0.000 0.213 34 G C 1.602 176.486 174.900 -0.027 0.000 1.142 34 G CA 0.095 45.098 45.100 -0.161 0.000 0.793 34 G HN 0.427 nan 8.290 nan 0.000 0.534 35 L N 0.551 121.812 121.223 0.065 0.000 2.354 35 L HA 0.355 4.695 4.340 -0.000 0.000 0.212 35 L C 1.398 178.497 176.870 0.380 0.000 1.091 35 L CA -0.023 54.908 54.840 0.151 0.000 0.828 35 L CB -0.131 41.937 42.059 0.015 0.000 0.973 35 L HN 0.283 nan 8.230 nan 0.000 0.461 36 I N -2.233 118.510 120.570 0.287 0.000 2.934 36 I HA 0.379 4.549 4.170 -0.000 0.000 0.315 36 I C 0.514 176.462 176.117 -0.282 0.000 0.997 36 I CA -0.969 60.352 61.300 0.036 0.000 1.184 36 I CB 0.834 38.818 38.000 -0.026 0.000 1.400 36 I HN -0.109 nan 8.210 nan 0.000 0.549 37 R N 2.372 122.401 120.500 -0.785 0.000 2.585 37 R HA 0.153 4.493 4.340 -0.000 0.000 0.275 37 R C 1.280 177.190 176.300 -0.650 0.000 1.018 37 R CA 1.243 56.749 56.100 -0.990 0.000 1.072 37 R CB 0.765 30.570 30.300 -0.825 0.000 0.953 37 R HN 0.910 nan 8.270 nan 0.000 0.419 38 G N 4.478 112.849 108.800 -0.715 0.000 2.505 38 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.220 38 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.220 38 G C 0.932 175.700 174.900 -0.220 0.000 1.145 38 G CA 1.366 46.194 45.100 -0.454 0.000 0.761 38 G HN 0.820 nan 8.290 nan 0.000 0.571 39 K N -0.098 120.181 120.400 -0.203 0.000 2.360 39 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 39 K C 1.424 177.956 176.600 -0.114 0.000 1.046 39 K CA 1.358 57.567 56.287 -0.130 0.000 0.945 39 K CB -0.100 32.327 32.500 -0.122 0.000 0.750 39 K HN 0.201 nan 8.250 nan 0.000 0.464 40 N N 0.642 119.254 118.700 -0.147 0.000 2.254 40 N HA 0.025 4.765 4.740 -0.000 0.000 0.190 40 N C 1.521 176.995 175.510 -0.060 0.000 1.107 40 N CA 0.217 53.204 53.050 -0.104 0.000 0.869 40 N CB 0.537 38.942 38.487 -0.136 0.000 0.983 40 N HN -0.009 nan 8.380 nan 0.000 0.487 41 V N 1.793 121.675 119.914 -0.054 0.000 2.261 41 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 41 V C 2.417 178.527 176.094 0.027 0.000 1.047 41 V CA 1.357 63.663 62.300 0.010 0.000 1.015 41 V CB -0.515 31.341 31.823 0.056 0.000 0.642 41 V HN 0.240 nan 8.190 nan 0.000 0.446 42 L N -0.027 121.207 121.223 0.019 0.000 2.042 42 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 42 L C 2.724 179.621 176.870 0.045 0.000 1.076 42 L CA 2.062 56.919 54.840 0.030 0.000 0.749 42 L CB -0.813 41.257 42.059 0.018 0.000 0.893 42 L HN 0.421 nan 8.230 nan 0.000 0.432 43 S N -0.372 115.351 115.700 0.039 0.000 2.368 43 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 43 S C 2.036 176.688 174.600 0.087 0.000 1.029 43 S CA 1.176 59.419 58.200 0.073 0.000 0.988 43 S CB -0.145 63.088 63.200 0.055 0.000 0.838 43 S HN 0.317 nan 8.310 nan 0.000 0.462 44 M N 1.096 120.721 119.600 0.042 0.000 2.117 44 M HA -0.019 4.461 4.480 -0.000 0.000 0.262 44 M C 1.860 178.191 176.300 0.051 0.000 1.065 44 M CA 1.560 56.875 55.300 0.025 0.000 1.114 44 M CB -1.045 31.555 32.600 0.000 0.000 1.361 44 M HN 0.406 nan 8.290 nan 0.000 0.408 45 L N -0.411 120.850 121.223 0.062 0.000 2.083 45 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 45 L C 2.278 179.201 176.870 0.088 0.000 1.083 45 L CA 1.632 56.512 54.840 0.066 0.000 0.752 45 L CB -1.149 40.945 42.059 0.058 0.000 0.899 45 L HN 0.308 nan 8.230 nan 0.000 0.433 46 T N -1.028 113.598 114.554 0.120 0.000 2.737 46 T HA -0.205 4.145 4.350 -0.000 0.000 0.265 46 T C 1.904 176.755 174.700 0.252 0.000 1.038 46 T CA 1.187 63.400 62.100 0.189 0.000 1.144 46 T CB -0.166 68.828 68.868 0.210 0.000 0.866 46 T HN 0.371 nan 8.240 nan 0.000 0.434 47 Q N 0.291 120.212 119.800 0.201 0.000 2.084 47 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 47 Q C 2.600 178.609 176.000 0.016 0.000 0.978 47 Q CA 1.136 56.946 55.803 0.011 0.000 0.844 47 Q CB -0.413 28.269 28.738 -0.093 0.000 0.898 47 Q HN 0.358 nan 8.270 nan 0.000 0.426 48 V N 0.573 120.518 119.914 0.051 0.000 2.427 48 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 48 V C 2.169 178.332 176.094 0.115 0.000 1.051 48 V CA 2.086 64.427 62.300 0.067 0.000 1.048 48 V CB -0.729 31.128 31.823 0.055 0.000 0.666 48 V HN 0.419 nan 8.190 nan 0.000 0.456 49 T N -0.042 114.580 114.554 0.114 0.000 2.777 49 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 49 T C 1.939 176.780 174.700 0.235 0.000 1.040 49 T CA 1.606 63.795 62.100 0.150 0.000 1.141 49 T CB -0.158 68.778 68.868 0.113 0.000 0.868 49 T HN 0.294 nan 8.240 nan 0.000 0.444 50 V N 2.328 122.365 119.914 0.204 0.000 2.379 50 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 50 V C 3.033 179.211 176.094 0.141 0.000 1.044 50 V CA 2.068 64.491 62.300 0.204 0.000 1.036 50 V CB -1.361 30.657 31.823 0.324 0.000 0.664 50 V HN 0.713 nan 8.190 nan 0.000 0.453 51 T N -1.457 113.154 114.554 0.095 0.000 2.867 51 T HA -0.218 4.131 4.350 -0.000 0.000 0.268 51 T C 1.814 176.585 174.700 0.119 0.000 1.057 51 T CA 1.585 63.728 62.100 0.071 0.000 1.136 51 T CB -0.612 68.277 68.868 0.036 0.000 0.874 51 T HN 0.393 nan 8.240 nan 0.000 0.466 52 F N 2.911 122.874 119.950 0.021 0.000 2.102 52 F HA 0.130 4.657 4.527 -0.000 0.000 0.298 52 F C 2.596 178.408 175.800 0.020 0.000 1.105 52 F CA 0.987 58.995 58.000 0.012 0.000 1.239 52 F CB -0.898 38.111 39.000 0.015 0.000 0.991 52 F HN 0.255 nan 8.300 nan 0.000 0.474 53 A N 0.611 123.455 122.820 0.039 0.000 1.902 53 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 53 A C 2.140 179.671 177.584 -0.089 0.000 1.181 53 A CA 1.741 53.737 52.037 -0.067 0.000 0.623 53 A CB -1.372 17.682 19.000 0.091 0.000 0.818 53 A HN 0.536 nan 8.150 nan 0.000 0.443 54 L N 0.065 121.280 121.223 -0.014 0.000 2.012 54 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 54 L C 2.388 179.235 176.870 -0.039 0.000 1.073 54 L CA 2.119 56.958 54.840 -0.001 0.000 0.748 54 L CB -0.588 41.493 42.059 0.036 0.000 0.891 54 L HN 0.161 nan 8.230 nan 0.000 0.431 55 V N -1.191 118.679 119.914 -0.074 0.000 2.343 55 V HA -0.358 3.762 4.120 -0.000 0.000 0.247 55 V C 2.667 178.694 176.094 -0.112 0.000 1.051 55 V CA 1.854 64.103 62.300 -0.084 0.000 1.036 55 V CB -0.889 30.864 31.823 -0.116 0.000 0.654 55 V HN 0.657 nan 8.190 nan 0.000 0.451 56 C N -0.105 119.041 119.300 -0.257 0.000 2.398 56 C HA -0.179 4.281 4.460 -0.000 0.000 0.276 56 C C 2.597 177.556 174.990 -0.051 0.000 1.222 56 C CA 0.789 59.677 59.018 -0.217 0.000 1.746 56 C CB -1.006 26.516 27.740 -0.364 0.000 2.039 56 C HN 0.480 nan 8.230 nan 0.000 0.470 57 I N 0.650 121.183 120.570 -0.061 0.000 2.233 57 I HA -0.114 4.056 4.170 -0.000 0.000 0.243 57 I C 2.386 178.470 176.117 -0.056 0.000 1.093 57 I CA 1.617 62.898 61.300 -0.031 0.000 1.380 57 I CB -1.531 36.462 38.000 -0.013 0.000 1.067 57 I HN 0.346 nan 8.210 nan 0.000 0.413 58 L N -0.857 120.313 121.223 -0.089 0.000 2.131 58 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 58 L C 2.614 179.249 176.870 -0.391 0.000 1.092 58 L CA 1.321 55.977 54.840 -0.306 0.000 0.759 58 L CB -0.586 41.326 42.059 -0.244 0.000 0.903 58 L HN 0.442 nan 8.230 nan 0.000 0.435 59 W N 0.506 121.641 121.300 -0.276 0.000 2.355 59 W HA -0.200 4.460 4.660 -0.001 0.000 0.309 59 W C 2.197 178.669 176.519 -0.078 0.000 1.206 59 W CA 1.763 59.019 57.345 -0.147 0.000 1.284 59 W CB 0.017 29.432 29.460 -0.075 0.000 1.145 59 W HN -0.062 nan 8.180 nan 0.000 0.502 60 V N 0.349 120.250 119.914 -0.022 0.000 2.453 60 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 60 V C 2.158 178.198 176.094 -0.091 0.000 1.048 60 V CA 1.463 63.711 62.300 -0.085 0.000 1.049 60 V CB -0.968 30.833 31.823 -0.037 0.000 0.672 60 V HN 0.007 nan 8.190 nan 0.000 0.457 61 V N 0.208 120.067 119.914 -0.091 0.000 2.261 61 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 61 V C 1.927 178.059 176.094 0.064 0.000 1.047 61 V CA 2.939 65.235 62.300 -0.007 0.000 1.015 61 V CB -0.547 31.303 31.823 0.046 0.000 0.642 61 V HN 0.892 nan 8.190 nan 0.000 0.446 62 Y N -2.671 117.611 120.300 -0.031 0.000 2.532 62 Y HA 0.523 5.073 4.550 0.000 0.000 0.282 62 Y C 1.828 177.649 175.900 -0.132 0.000 1.013 62 Y CA 0.319 58.388 58.100 -0.053 0.000 1.159 62 Y CB -0.599 37.838 38.460 -0.039 0.000 1.393 62 Y HN -0.027 nan 8.280 nan 0.000 0.580 63 G N 1.352 109.846 108.800 -0.510 0.000 2.459 63 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.217 63 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.217 63 G C 1.437 175.815 174.900 -0.870 0.000 1.183 63 G CA 1.632 46.439 45.100 -0.490 0.000 0.776 63 G HN 0.517 nan 8.290 nan 0.000 0.552 64 Y N 1.561 121.018 120.300 -1.405 0.000 2.128 64 Y HA -0.157 4.393 4.550 -0.000 0.000 0.284 64 Y C 3.165 178.989 175.900 -0.127 0.000 1.154 64 Y CA 1.958 59.486 58.100 -0.952 0.000 1.149 64 Y CB -0.569 37.473 38.460 -0.697 0.000 0.976 64 Y HN 0.242 nan 8.280 nan 0.000 0.505 65 S N -0.238 115.453 115.700 -0.015 0.000 2.370 65 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 65 S C 1.973 176.520 174.600 -0.088 0.000 1.033 65 S CA 1.717 59.974 58.200 0.094 0.000 1.011 65 S CB -0.554 62.746 63.200 0.167 0.000 0.852 65 S HN 0.535 nan 8.310 nan 0.000 0.457 66 L N 0.305 121.476 121.223 -0.087 0.000 2.313 66 L HA 0.129 4.469 4.340 -0.000 0.000 0.214 66 L C 2.613 179.387 176.870 -0.161 0.000 1.119 66 L CA 0.833 55.622 54.840 -0.085 0.000 0.809 66 L CB -0.386 41.676 42.059 0.006 0.000 0.933 66 L HN 0.388 nan 8.230 nan 0.000 0.449 67 A N -0.665 122.034 122.820 -0.202 0.000 1.911 67 A HA 0.003 4.323 4.320 -0.000 0.000 0.212 67 A C 1.625 178.933 177.584 -0.459 0.000 1.189 67 A CA 0.920 52.784 52.037 -0.287 0.000 0.639 67 A CB -0.272 18.621 19.000 -0.179 0.000 0.839 67 A HN 0.322 nan 8.150 nan 0.000 0.449 68 F N 0.018 119.896 119.950 -0.120 0.000 2.704 68 F HA 0.317 4.844 4.527 0.000 0.000 0.304 68 F C 1.602 177.376 175.800 -0.042 0.000 1.094 68 F CA -0.282 57.654 58.000 -0.106 0.000 1.275 68 F CB -0.058 38.728 39.000 -0.358 0.000 1.073 68 F HN 0.214 nan 8.300 nan 0.000 0.586 69 G N 0.409 109.151 108.800 -0.097 0.000 2.599 69 G HA2 0.183 4.143 3.960 -0.000 0.000 0.264 69 G HA3 0.183 4.143 3.960 -0.000 0.000 0.264 69 G C -0.671 174.103 174.900 -0.210 0.000 1.200 69 G CA -0.408 44.419 45.100 -0.455 0.000 0.896 69 G HN 0.212 nan 8.290 nan 0.000 0.536 70 E N -0.183 119.856 120.200 -0.268 0.000 2.229 70 E HA 0.502 4.852 4.350 -0.000 0.000 0.283 70 E C 0.667 177.169 176.600 -0.162 0.000 1.030 70 E CA 0.060 56.388 56.400 -0.120 0.000 0.836 70 E CB 0.624 30.255 29.700 -0.116 0.000 1.068 70 E HN 0.486 nan 8.360 nan 0.000 0.401 71 G N 4.082 112.802 108.800 -0.134 0.000 3.009 71 G HA2 0.117 4.077 3.960 -0.000 0.000 0.183 71 G HA3 0.117 4.077 3.960 -0.000 0.000 0.183 71 G C -0.473 174.291 174.900 -0.228 0.000 1.613 71 G CA 0.130 45.085 45.100 -0.242 0.000 0.910 71 G HN 0.657 nan 8.290 nan 0.000 0.785 72 N N -1.036 117.470 118.700 -0.323 0.000 3.294 72 N HA 0.295 5.035 4.740 -0.000 0.000 0.355 72 N C 0.381 175.787 175.510 -0.174 0.000 1.497 72 N CA -0.675 52.224 53.050 -0.252 0.000 0.707 72 N CB 0.360 38.651 38.487 -0.328 0.000 1.732 72 N HN 0.066 nan 8.380 nan 0.000 0.640 73 N N -1.087 117.439 118.700 -0.290 0.000 2.396 73 N HA 0.059 4.798 4.740 -0.000 0.000 0.180 73 N C 0.258 175.347 175.510 -0.701 0.000 1.028 73 N CA 0.989 53.712 53.050 -0.545 0.000 0.893 73 N CB -0.254 37.754 38.487 -0.799 0.000 0.967 73 N HN 0.449 nan 8.380 nan 0.000 0.440 74 F N -0.752 119.183 119.950 -0.026 0.000 2.553 74 F HA 0.241 4.769 4.527 0.001 0.000 0.282 74 F C 0.573 176.398 175.800 0.043 0.000 1.089 74 F CA -0.370 57.659 58.000 0.049 0.000 1.411 74 F CB 0.002 39.138 39.000 0.227 0.000 1.125 74 F HN -0.179 nan 8.300 nan 0.000 0.610 75 F N -1.361 118.509 119.950 -0.134 0.000 2.629 75 F HA 0.857 5.384 4.527 -0.000 0.000 0.316 75 F C 0.450 175.690 175.800 -0.933 0.000 1.081 75 F CA -1.687 55.998 58.000 -0.526 0.000 0.954 75 F CB 0.464 39.344 39.000 -0.199 0.000 1.337 75 F HN -0.043 nan 8.300 nan 0.000 0.474 76 G N 0.928 109.311 108.800 -0.695 0.000 3.224 76 G HA2 0.393 4.353 3.960 -0.000 0.000 0.161 76 G HA3 0.393 4.353 3.960 -0.000 0.000 0.161 76 G C -0.936 173.855 174.900 -0.183 0.000 1.872 76 G CA 0.244 45.053 45.100 -0.486 0.000 1.012 76 G HN 1.056 nan 8.290 nan 0.000 0.504 77 N N -2.136 116.467 118.700 -0.161 0.000 3.204 77 N HA 0.391 5.131 4.740 -0.000 0.000 0.285 77 N C -0.261 175.192 175.510 -0.094 0.000 1.536 77 N CA -0.584 52.401 53.050 -0.108 0.000 0.832 77 N CB 0.967 39.337 38.487 -0.195 0.000 1.645 77 N HN 0.576 nan 8.380 nan 0.000 0.586 78 I N -3.910 116.615 120.570 -0.074 0.000 3.736 78 I HA 0.474 4.644 4.170 -0.000 0.000 0.338 78 I C -0.418 175.680 176.117 -0.032 0.000 1.558 78 I CA -0.569 60.710 61.300 -0.034 0.000 1.147 78 I CB -0.513 37.472 38.000 -0.025 0.000 1.275 78 I HN 0.397 nan 8.210 nan 0.000 0.454 79 N N 0.521 119.148 118.700 -0.121 0.000 2.424 79 N HA 0.033 4.773 4.740 -0.000 0.000 0.178 79 N C 0.166 175.724 175.510 0.080 0.000 1.060 79 N CA 0.369 53.350 53.050 -0.115 0.000 0.901 79 N CB 0.167 38.475 38.487 -0.299 0.000 0.979 79 N HN 0.481 nan 8.380 nan 0.000 0.451 80 W N 1.445 122.774 121.300 0.049 0.000 2.616 80 W HA 0.367 5.027 4.660 0.000 0.000 0.419 80 W C -0.695 175.855 176.519 0.052 0.000 0.835 80 W CA -1.049 56.339 57.345 0.071 0.000 2.483 80 W CB -0.815 28.725 29.460 0.134 0.000 1.289 80 W HN -0.058 nan 8.180 nan 0.000 0.755 81 L N 1.963 123.319 121.223 0.222 0.000 2.477 81 L HA 0.003 4.343 4.340 -0.000 0.000 0.272 81 L C 1.223 178.165 176.870 0.119 0.000 1.157 81 L CA 0.407 55.338 54.840 0.151 0.000 0.889 81 L CB 0.037 42.164 42.059 0.113 0.000 1.158 81 L HN 0.074 nan 8.230 nan 0.000 0.473 82 M N 4.680 124.328 119.600 0.080 0.000 2.682 82 M HA -0.248 4.232 4.480 -0.000 0.000 0.196 82 M C 0.729 177.041 176.300 0.019 0.000 0.542 82 M CA 0.533 55.856 55.300 0.038 0.000 0.593 82 M CB -1.469 31.160 32.600 0.048 0.000 2.183 82 M HN 0.738 nan 8.290 nan 0.000 0.663 83 L N -2.165 119.071 121.223 0.021 0.000 4.496 83 L HA -0.254 4.086 4.340 -0.000 0.000 0.419 83 L C 0.755 177.648 176.870 0.038 0.000 1.139 83 L CA 1.434 56.242 54.840 -0.052 0.000 0.975 83 L CB -1.690 40.201 42.059 -0.279 0.000 2.099 83 L HN 0.622 nan 8.230 nan 0.000 0.818 84 K N 1.585 122.058 120.400 0.121 0.000 2.436 84 K HA 0.072 4.392 4.320 -0.000 0.000 0.275 84 K C 1.252 177.976 176.600 0.208 0.000 0.999 84 K CA 0.764 57.136 56.287 0.141 0.000 0.980 84 K CB 0.371 32.952 32.500 0.135 0.000 0.919 84 K HN 0.297 nan 8.250 nan 0.000 0.484 85 N N 0.989 119.788 118.700 0.165 0.000 2.965 85 N HA -0.204 4.536 4.740 -0.000 0.000 0.232 85 N C -0.829 174.769 175.510 0.146 0.000 0.913 85 N CA 1.414 54.582 53.050 0.195 0.000 0.981 85 N CB -1.299 37.369 38.487 0.302 0.000 1.077 85 N HN 0.594 nan 8.380 nan 0.000 0.589 86 I N 2.060 122.653 120.570 0.039 0.000 2.287 86 I HA 0.087 4.257 4.170 -0.000 0.000 0.290 86 I C 0.649 176.807 176.117 0.068 0.000 1.069 86 I CA -0.372 60.892 61.300 -0.060 0.000 1.237 86 I CB 0.704 38.547 38.000 -0.261 0.000 1.418 86 I HN -0.135 nan 8.210 nan 0.000 0.481 87 E N 4.153 124.380 120.200 0.045 0.000 2.415 87 E HA -0.049 4.301 4.350 -0.000 0.000 0.262 87 E C 0.873 177.452 176.600 -0.036 0.000 1.038 87 E CA -0.161 56.249 56.400 0.015 0.000 0.921 87 E CB 1.311 31.023 29.700 0.021 0.000 0.950 87 E HN 0.443 nan 8.360 nan 0.000 0.438 88 L N 3.669 124.796 121.223 -0.162 0.000 2.081 88 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 88 L C 2.071 178.746 176.870 -0.324 0.000 1.080 88 L CA 2.479 57.083 54.840 -0.394 0.000 0.754 88 L CB -0.943 40.870 42.059 -0.409 0.000 0.893 88 L HN 0.682 nan 8.230 nan 0.000 0.433 89 T N -2.838 111.624 114.554 -0.153 0.000 3.169 89 T HA 0.408 4.757 4.350 -0.000 0.000 0.250 89 T C 0.819 175.652 174.700 0.221 0.000 1.111 89 T CA 0.105 62.212 62.100 0.011 0.000 1.010 89 T CB -0.685 68.209 68.868 0.043 0.000 0.984 89 T HN 0.380 nan 8.240 nan 0.000 0.537 90 A N 1.314 124.217 122.820 0.139 0.000 2.511 90 A HA 0.534 4.854 4.320 -0.000 0.000 0.242 90 A C 0.165 177.860 177.584 0.184 0.000 1.069 90 A CA -0.336 51.779 52.037 0.129 0.000 0.763 90 A CB 0.127 19.168 19.000 0.067 0.000 1.001 90 A HN 0.391 nan 8.150 nan 0.000 0.498 91 V N 3.417 123.393 119.914 0.104 0.000 2.513 91 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 91 V C -0.089 176.029 176.094 0.041 0.000 1.035 91 V CA -0.367 61.959 62.300 0.044 0.000 0.889 91 V CB 1.510 33.310 31.823 -0.039 0.000 0.988 91 V HN 0.969 nan 8.190 nan 0.000 0.440 92 M N 4.661 124.299 119.600 0.064 0.000 2.093 92 M HA 0.712 5.192 4.480 -0.000 0.000 0.297 92 M C 0.340 176.687 176.300 0.077 0.000 0.938 92 M CA 1.037 56.333 55.300 -0.007 0.000 0.920 92 M CB 0.784 33.283 32.600 -0.168 0.000 1.517 92 M HN 1.058 nan 8.290 nan 0.000 0.427 93 G N 3.084 111.903 108.800 0.032 0.000 2.559 93 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.282 93 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.282 93 G C 0.309 175.225 174.900 0.027 0.000 1.177 93 G CA 0.550 45.688 45.100 0.064 0.000 0.960 93 G HN 1.533 nan 8.290 nan 0.000 0.540 94 S N 0.297 116.006 115.700 0.015 0.000 2.730 94 S HA 0.628 5.098 4.470 -0.000 0.000 0.244 94 S C 0.535 175.065 174.600 -0.117 0.000 1.022 94 S CA 0.573 58.741 58.200 -0.055 0.000 1.014 94 S CB -0.311 62.859 63.200 -0.051 0.000 0.963 94 S HN 1.715 nan 8.310 nan 0.000 0.540 95 I N -2.736 117.776 120.570 -0.096 0.000 3.042 95 I HA 0.696 4.866 4.170 -0.000 0.000 0.310 95 I C -1.112 174.936 176.117 -0.114 0.000 1.117 95 I CA -1.786 59.414 61.300 -0.166 0.000 1.003 95 I CB 0.895 38.786 38.000 -0.181 0.000 1.228 95 I HN -0.143 nan 8.210 nan 0.000 0.443 96 Y N 1.986 122.295 120.300 0.015 0.000 2.610 96 Y HA 0.009 4.559 4.550 -0.000 0.000 0.332 96 Y C 1.718 177.667 175.900 0.082 0.000 1.201 96 Y CA 0.465 58.585 58.100 0.034 0.000 1.465 96 Y CB 0.510 38.973 38.460 0.004 0.000 1.283 96 Y HN 0.693 nan 8.280 nan 0.000 0.563 97 Q N 1.953 121.909 119.800 0.260 0.000 2.197 97 Q HA -0.259 4.081 4.340 -0.000 0.000 0.207 97 Q C 1.206 177.254 176.000 0.081 0.000 0.984 97 Q CA 1.752 57.644 55.803 0.147 0.000 0.869 97 Q CB -0.195 28.546 28.738 0.005 0.000 0.906 97 Q HN 0.852 nan 8.270 nan 0.000 0.426 98 Y N 0.324 120.590 120.300 -0.056 0.000 2.207 98 Y HA -0.233 4.317 4.550 0.000 0.000 0.287 98 Y C 1.895 177.755 175.900 -0.066 0.000 1.156 98 Y CA 1.327 59.361 58.100 -0.110 0.000 1.182 98 Y CB -0.108 38.297 38.460 -0.092 0.000 0.979 98 Y HN 0.191 nan 8.280 nan 0.000 0.521 99 I N -1.543 119.104 120.570 0.129 0.000 2.252 99 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 99 I C 2.386 178.498 176.117 -0.009 0.000 1.102 99 I CA 1.180 62.502 61.300 0.038 0.000 1.385 99 I CB -0.525 37.472 38.000 -0.005 0.000 1.064 99 I HN 0.269 nan 8.210 nan 0.000 0.414 100 H N 0.491 119.540 119.070 -0.035 0.000 2.352 100 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 100 H C 2.498 177.799 175.328 -0.045 0.000 1.097 100 H CA 1.735 57.756 56.048 -0.046 0.000 1.311 100 H CB -0.070 29.650 29.762 -0.070 0.000 1.377 100 H HN 0.156 nan 8.280 nan 0.000 0.504 101 V N 1.001 120.832 119.914 -0.137 0.000 2.287 101 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 101 V C 2.847 178.993 176.094 0.087 0.000 1.053 101 V CA 1.768 63.870 62.300 -0.330 0.000 1.027 101 V CB -1.038 30.344 31.823 -0.736 0.000 0.646 101 V HN 0.478 nan 8.190 nan 0.000 0.447 102 A N -0.773 122.063 122.820 0.028 0.000 1.898 102 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 102 A C 2.110 179.737 177.584 0.071 0.000 1.181 102 A CA 1.896 53.966 52.037 0.055 0.000 0.620 102 A CB -0.697 18.333 19.000 0.050 0.000 0.819 102 A HN 0.501 nan 8.150 nan 0.000 0.442 103 F N 0.709 120.630 119.950 -0.049 0.000 2.102 103 F HA -0.206 4.321 4.527 0.000 0.000 0.298 103 F C 2.540 178.327 175.800 -0.022 0.000 1.105 103 F CA 2.192 60.159 58.000 -0.055 0.000 1.239 103 F CB -0.200 38.705 39.000 -0.158 0.000 0.991 103 F HN 0.204 nan 8.300 nan 0.000 0.474 104 Q N 0.171 119.966 119.800 -0.009 0.000 2.124 104 Q HA -0.096 4.243 4.340 -0.000 0.000 0.202 104 Q C 2.542 178.333 176.000 -0.348 0.000 0.977 104 Q CA 1.390 57.152 55.803 -0.068 0.000 0.850 104 Q CB -1.326 27.583 28.738 0.286 0.000 0.901 104 Q HN 0.574 nan 8.270 nan 0.000 0.429 105 G N 1.081 109.557 108.800 -0.540 0.000 2.422 105 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 105 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 105 G C 1.660 176.169 174.900 -0.652 0.000 1.140 105 G CA 1.268 45.598 45.100 -1.284 0.000 0.775 105 G HN 0.511 nan 8.290 nan 0.000 0.545 106 S N 0.282 115.783 115.700 -0.331 0.000 2.399 106 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 106 S C 2.042 176.493 174.600 -0.248 0.000 1.022 106 S CA 0.968 59.037 58.200 -0.218 0.000 0.983 106 S CB -0.498 62.606 63.200 -0.160 0.000 0.803 106 S HN 0.178 nan 8.310 nan 0.000 0.480 107 F N 2.422 122.110 119.950 -0.437 0.000 2.206 107 F HA 0.252 4.779 4.527 -0.000 0.000 0.298 107 F C 2.842 178.469 175.800 -0.287 0.000 1.090 107 F CA 0.401 58.245 58.000 -0.260 0.000 1.323 107 F CB -0.984 37.901 39.000 -0.190 0.000 1.028 107 F HN 0.310 nan 8.300 nan 0.000 0.492 108 A N -1.035 121.490 122.820 -0.491 0.000 1.933 108 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 108 A C 2.334 179.656 177.584 -0.436 0.000 1.175 108 A CA 1.757 53.211 52.037 -0.971 0.000 0.628 108 A CB -1.471 16.861 19.000 -1.113 0.000 0.814 108 A HN 0.463 nan 8.150 nan 0.000 0.444 109 C N -1.242 117.884 119.300 -0.290 0.000 2.436 109 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 109 C C 2.478 177.474 174.990 0.010 0.000 1.241 109 C CA 1.151 60.125 59.018 -0.073 0.000 1.721 109 C CB -1.239 26.526 27.740 0.042 0.000 2.043 109 C HN 0.696 nan 8.230 nan 0.000 0.472 110 I N 1.155 121.693 120.570 -0.054 0.000 2.286 110 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 110 I C 2.336 178.460 176.117 0.011 0.000 1.115 110 I CA 1.869 63.130 61.300 -0.064 0.000 1.392 110 I CB -0.661 37.212 38.000 -0.212 0.000 1.065 110 I HN 0.310 nan 8.210 nan 0.000 0.418 111 T N -0.141 114.448 114.554 0.059 0.000 2.684 111 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 111 T C 2.012 176.824 174.700 0.187 0.000 1.036 111 T CA 1.959 64.179 62.100 0.200 0.000 1.148 111 T CB -0.570 68.504 68.868 0.343 0.000 0.863 111 T HN 0.218 nan 8.240 nan 0.000 0.436 112 V N 1.356 121.359 119.914 0.147 0.000 2.427 112 V HA -0.064 4.056 4.120 -0.000 0.000 0.248 112 V C 2.879 179.042 176.094 0.115 0.000 1.051 112 V CA 1.849 64.233 62.300 0.139 0.000 1.048 112 V CB -1.352 30.556 31.823 0.142 0.000 0.666 112 V HN 0.612 nan 8.190 nan 0.000 0.456 113 G N -0.188 108.681 108.800 0.114 0.000 2.442 113 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 113 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 113 G C 1.594 176.601 174.900 0.178 0.000 1.141 113 G CA 0.893 46.066 45.100 0.121 0.000 0.763 113 G HN 0.458 nan 8.290 nan 0.000 0.554 114 L N -0.045 121.295 121.223 0.196 0.000 2.042 114 L HA -0.095 4.244 4.340 -0.000 0.000 0.210 114 L C 2.858 179.973 176.870 0.408 0.000 1.076 114 L CA 0.956 55.990 54.840 0.323 0.000 0.749 114 L CB -0.336 41.882 42.059 0.264 0.000 0.893 114 L HN 0.252 nan 8.230 nan 0.000 0.432 115 I N -1.375 119.347 120.570 0.254 0.000 2.193 115 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 115 I C 2.426 178.592 176.117 0.083 0.000 1.084 115 I CA 0.796 62.212 61.300 0.193 0.000 1.365 115 I CB -0.359 37.598 38.000 -0.071 0.000 1.064 115 I HN -0.043 nan 8.210 nan 0.000 0.410 116 V N 1.409 121.336 119.914 0.021 0.000 2.332 116 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 116 V C 2.644 178.644 176.094 -0.158 0.000 1.055 116 V CA 2.216 64.487 62.300 -0.047 0.000 1.038 116 V CB -1.587 30.233 31.823 -0.005 0.000 0.651 116 V HN 0.598 nan 8.190 nan 0.000 0.450 117 G N -0.463 108.199 108.800 -0.229 0.000 2.442 117 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 117 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 117 G C 1.708 175.978 174.900 -1.050 0.000 1.141 117 G CA 1.165 45.959 45.100 -0.510 0.000 0.763 117 G HN 0.628 nan 8.290 nan 0.000 0.554 118 A N 0.192 122.265 122.820 -1.244 0.000 1.898 118 A HA 0.302 4.622 4.320 -0.000 0.000 0.214 118 A C 2.278 179.685 177.584 -0.295 0.000 1.183 118 A CA 0.845 52.384 52.037 -0.830 0.000 0.622 118 A CB -0.214 18.414 19.000 -0.619 0.000 0.824 118 A HN 0.320 nan 8.150 nan 0.000 0.444 119 L N -0.697 120.428 121.223 -0.163 0.000 2.558 119 L HA 0.089 4.429 4.340 -0.000 0.000 0.225 119 L C 2.753 179.552 176.870 -0.119 0.000 1.128 119 L CA 0.428 55.206 54.840 -0.103 0.000 0.868 119 L CB -0.307 41.702 42.059 -0.083 0.000 1.006 119 L HN 0.400 nan 8.230 nan 0.000 0.454 120 A N 0.523 123.263 122.820 -0.134 0.000 1.917 120 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 120 A C 2.174 179.715 177.584 -0.071 0.000 1.182 120 A CA 1.854 53.834 52.037 -0.096 0.000 0.633 120 A CB -0.383 18.566 19.000 -0.084 0.000 0.819 120 A HN 0.451 nan 8.150 nan 0.000 0.448 121 E N -1.299 118.849 120.200 -0.086 0.000 2.130 121 E HA -0.228 4.122 4.350 -0.000 0.000 0.196 121 E C 2.010 178.569 176.600 -0.070 0.000 0.998 121 E CA 1.408 57.761 56.400 -0.078 0.000 0.806 121 E CB -0.060 29.582 29.700 -0.097 0.000 0.738 121 E HN 0.415 nan 8.360 nan 0.000 0.459 122 R N -0.345 120.109 120.500 -0.077 0.000 2.362 122 R HA 0.306 4.646 4.340 -0.000 0.000 0.227 122 R C 0.239 176.495 176.300 -0.072 0.000 0.905 122 R CA -0.033 56.020 56.100 -0.077 0.000 1.067 122 R CB 0.541 30.786 30.300 -0.093 0.000 1.078 122 R HN 0.072 nan 8.270 nan 0.000 0.516 123 I N 0.181 120.714 120.570 -0.062 0.000 2.530 123 I HA 0.329 4.499 4.170 -0.000 0.000 0.297 123 I C -0.314 175.798 176.117 -0.008 0.000 1.011 123 I CA -1.303 59.969 61.300 -0.047 0.000 1.107 123 I CB 1.194 39.155 38.000 -0.065 0.000 1.285 123 I HN -0.030 nan 8.210 nan 0.000 0.436 124 R N 4.660 125.169 120.500 0.015 0.000 2.623 124 R HA -0.003 4.336 4.340 -0.000 0.000 0.271 124 R C 0.420 176.775 176.300 0.091 0.000 1.043 124 R CA 0.224 56.361 56.100 0.062 0.000 1.083 124 R CB 0.471 30.805 30.300 0.057 0.000 0.974 124 R HN 0.725 nan 8.270 nan 0.000 0.436 125 F N 2.443 122.402 119.950 0.015 0.000 2.065 125 F HA -0.312 4.215 4.527 -0.000 0.000 0.298 125 F C 2.497 178.321 175.800 0.041 0.000 1.112 125 F CA 2.635 60.650 58.000 0.026 0.000 1.212 125 F CB -0.225 38.788 39.000 0.022 0.000 0.975 125 F HN 0.744 nan 8.300 nan 0.000 0.476 126 S N 0.186 116.046 115.700 0.266 0.000 2.399 126 S HA -0.176 4.294 4.470 -0.000 0.000 0.231 126 S C 2.159 176.810 174.600 0.084 0.000 1.022 126 S CA 0.851 59.155 58.200 0.173 0.000 0.983 126 S CB -1.143 62.145 63.200 0.146 0.000 0.803 126 S HN 0.424 nan 8.310 nan 0.000 0.480 127 A N 1.033 123.894 122.820 0.068 0.000 1.930 127 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 127 A C 2.386 180.012 177.584 0.070 0.000 1.175 127 A CA 1.282 53.358 52.037 0.066 0.000 0.627 127 A CB -1.022 18.012 19.000 0.058 0.000 0.815 127 A HN 0.521 nan 8.150 nan 0.000 0.443 128 V N -0.041 119.871 119.914 -0.004 0.000 2.548 128 V HA -0.136 3.984 4.120 -0.000 0.000 0.249 128 V C 2.299 178.413 176.094 0.033 0.000 1.055 128 V CA 1.702 64.000 62.300 -0.003 0.000 1.065 128 V CB -0.394 31.351 31.823 -0.130 0.000 0.681 128 V HN 0.583 nan 8.190 nan 0.000 0.462 129 L N -0.675 120.528 121.223 -0.033 0.000 2.027 129 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 129 L C 2.374 179.282 176.870 0.062 0.000 1.074 129 L CA 1.890 56.734 54.840 0.008 0.000 0.745 129 L CB -0.503 41.569 42.059 0.021 0.000 0.898 129 L HN 0.260 nan 8.230 nan 0.000 0.433 130 I N -0.721 119.895 120.570 0.075 0.000 2.179 130 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 130 I C 2.523 178.684 176.117 0.074 0.000 1.088 130 I CA 1.562 62.906 61.300 0.073 0.000 1.357 130 I CB -0.309 37.735 38.000 0.073 0.000 1.051 130 I HN 0.151 nan 8.210 nan 0.000 0.409 131 F N 1.226 121.161 119.950 -0.025 0.000 2.095 131 F HA -0.239 4.287 4.527 -0.001 0.000 0.298 131 F C 2.359 178.165 175.800 0.009 0.000 1.104 131 F CA 1.718 59.674 58.000 -0.073 0.000 1.232 131 F CB -0.450 38.446 39.000 -0.175 0.000 0.987 131 F HN -0.227 nan 8.300 nan 0.000 0.475 132 V N -0.146 119.800 119.914 0.052 0.000 2.332 132 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 132 V C 2.412 178.509 176.094 0.005 0.000 1.055 132 V CA 1.712 64.032 62.300 0.032 0.000 1.038 132 V CB -0.769 31.127 31.823 0.122 0.000 0.651 132 V HN 0.323 nan 8.190 nan 0.000 0.450 133 V N -0.334 119.592 119.914 0.020 0.000 2.255 133 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 133 V C 2.404 178.507 176.094 0.015 0.000 1.051 133 V CA 2.165 64.497 62.300 0.053 0.000 1.018 133 V CB -0.516 31.346 31.823 0.065 0.000 0.641 133 V HN 0.405 nan 8.190 nan 0.000 0.445 134 V N -1.473 118.404 119.914 -0.062 0.000 2.295 134 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 134 V C 1.980 178.009 176.094 -0.109 0.000 1.049 134 V CA 2.495 64.741 62.300 -0.090 0.000 1.024 134 V CB -0.722 31.032 31.823 -0.115 0.000 0.648 134 V HN 0.773 nan 8.190 nan 0.000 0.447 135 W N 0.093 121.115 121.300 -0.464 0.000 2.409 135 W HA -0.101 4.558 4.660 -0.001 0.000 0.299 135 W C 2.186 178.640 176.519 -0.107 0.000 1.203 135 W CA 1.516 58.610 57.345 -0.418 0.000 1.298 135 W CB -0.165 28.733 29.460 -0.937 0.000 1.127 135 W HN 0.200 nan 8.180 nan 0.000 0.528 136 L N 0.344 121.621 121.223 0.090 0.000 2.017 136 L HA -0.171 4.168 4.340 -0.000 0.000 0.208 136 L C 2.289 179.199 176.870 0.067 0.000 1.073 136 L CA 2.735 57.633 54.840 0.097 0.000 0.745 136 L CB -1.193 40.969 42.059 0.172 0.000 0.894 136 L HN -0.113 nan 8.230 nan 0.000 0.432 137 T N -0.208 114.399 114.554 0.088 0.000 2.737 137 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 137 T C 1.788 176.501 174.700 0.022 0.000 1.038 137 T CA 1.885 64.060 62.100 0.125 0.000 1.144 137 T CB -0.251 68.688 68.868 0.118 0.000 0.866 137 T HN 0.298 nan 8.240 nan 0.000 0.434 138 L N -0.012 121.185 121.223 -0.043 0.000 2.529 138 L HA 0.252 4.592 4.340 -0.000 0.000 0.223 138 L C 2.413 179.331 176.870 0.081 0.000 1.113 138 L CA 0.370 55.208 54.840 -0.004 0.000 0.861 138 L CB -0.061 41.971 42.059 -0.046 0.000 1.012 138 L HN 0.216 nan 8.230 nan 0.000 0.461 139 S N -1.309 114.263 115.700 -0.215 0.000 3.066 139 S HA -0.021 4.449 4.470 -0.000 0.000 0.235 139 S C 1.772 176.063 174.600 -0.514 0.000 0.995 139 S CA -0.144 57.842 58.200 -0.357 0.000 0.835 139 S CB -0.278 62.345 63.200 -0.961 0.000 0.814 139 S HN 0.310 nan 8.310 nan 0.000 0.594 140 Y N 2.472 122.278 120.300 -0.824 0.000 2.097 140 Y HA -0.114 4.436 4.550 -0.000 0.000 0.282 140 Y C 1.976 177.775 175.900 -0.168 0.000 1.152 140 Y CA 2.133 59.955 58.100 -0.463 0.000 1.136 140 Y CB -0.419 37.864 38.460 -0.295 0.000 0.975 140 Y HN 0.309 nan 8.280 nan 0.000 0.498 141 I N 0.081 120.685 120.570 0.056 0.000 2.099 141 I HA -0.290 3.880 4.170 -0.000 0.000 0.239 141 I C -0.626 175.426 176.117 -0.108 0.000 1.066 141 I CA 1.703 63.049 61.300 0.076 0.000 1.324 141 I CB -1.546 36.549 38.000 0.158 0.000 1.037 141 I HN 0.219 nan 8.210 nan 0.000 0.401 142 P HA -0.151 nan 4.420 nan 0.000 0.215 142 P C 1.847 178.884 177.300 -0.438 0.000 1.153 142 P CA 1.624 64.621 63.100 -0.171 0.000 0.853 142 P CB -0.035 31.625 31.700 -0.068 0.000 0.788 143 I N -0.751 119.453 120.570 -0.610 0.000 2.226 143 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 143 I C 2.334 178.083 176.117 -0.613 0.000 1.100 143 I CA 1.436 62.344 61.300 -0.653 0.000 1.374 143 I CB -0.792 36.843 38.000 -0.608 0.000 1.057 143 I HN -0.087 nan 8.210 nan 0.000 0.413 144 A N 0.102 122.538 122.820 -0.641 0.000 1.902 144 A HA -0.300 4.020 4.320 -0.000 0.000 0.217 144 A C 2.192 179.518 177.584 -0.429 0.000 1.181 144 A CA 2.070 53.777 52.037 -0.550 0.000 0.623 144 A CB -0.952 17.818 19.000 -0.384 0.000 0.818 144 A HN 0.511 nan 8.150 nan 0.000 0.443 145 H N -0.609 118.180 119.070 -0.467 0.000 2.353 145 H HA 0.004 4.560 4.556 -0.000 0.000 0.300 145 H C 1.959 177.083 175.328 -0.340 0.000 1.090 145 H CA 2.147 57.946 56.048 -0.414 0.000 1.327 145 H CB -0.220 29.360 29.762 -0.303 0.000 1.383 145 H HN 0.412 nan 8.280 nan 0.000 0.508 146 M N -0.860 118.517 119.600 -0.372 0.000 2.229 146 M HA -0.122 4.357 4.480 -0.000 0.000 0.264 146 M C 1.917 177.997 176.300 -0.366 0.000 1.063 146 M CA 1.147 56.208 55.300 -0.398 0.000 1.114 146 M CB 0.268 32.628 32.600 -0.400 0.000 1.387 146 M HN 0.203 nan 8.290 nan 0.000 0.420 147 V N -2.271 117.394 119.914 -0.416 0.000 2.492 147 V HA -0.089 4.031 4.120 -0.000 0.000 0.241 147 V C 1.400 177.366 176.094 -0.213 0.000 1.041 147 V CA 1.060 63.115 62.300 -0.409 0.000 1.057 147 V CB -0.172 31.228 31.823 -0.705 0.000 0.711 147 V HN 0.550 nan 8.190 nan 0.000 0.468 148 W N 0.123 121.335 121.300 -0.148 0.000 2.998 148 W HA 0.484 5.145 4.660 0.000 0.000 0.336 148 W C 1.681 178.187 176.519 -0.022 0.000 1.112 148 W CA 0.318 57.648 57.345 -0.024 0.000 1.682 148 W CB -0.143 29.391 29.460 0.124 0.000 1.065 148 W HN 0.323 nan 8.180 nan 0.000 0.570 149 G N -0.337 108.387 108.800 -0.127 0.000 3.605 149 G HA2 0.370 4.329 3.960 -0.000 0.000 0.277 149 G HA3 0.370 4.329 3.960 -0.000 0.000 0.277 149 G C 1.199 175.801 174.900 -0.498 0.000 1.093 149 G CA 0.189 45.100 45.100 -0.315 0.000 0.821 149 G HN 0.242 nan 8.290 nan 0.000 0.532 150 G N -0.875 107.740 108.800 -0.308 0.000 2.143 150 G HA2 -0.062 3.897 3.960 -0.000 0.000 0.248 150 G HA3 -0.062 3.897 3.960 -0.000 0.000 0.248 150 G C 0.871 175.552 174.900 -0.365 0.000 0.991 150 G CA 0.350 45.292 45.100 -0.263 0.000 0.689 150 G HN 0.997 nan 8.290 nan 0.000 0.522 151 G N -1.010 107.471 108.800 -0.532 0.000 2.494 151 G HA2 0.537 4.497 3.960 -0.000 0.000 0.270 151 G HA3 0.537 4.497 3.960 -0.000 0.000 0.270 151 G C 1.343 176.050 174.900 -0.321 0.000 1.423 151 G CA 0.168 44.996 45.100 -0.454 0.000 1.055 151 G HN 0.848 nan 8.290 nan 0.000 0.536 152 L N -0.425 120.575 121.223 -0.371 0.000 1.976 152 L HA -0.184 4.156 4.340 -0.000 0.000 0.223 152 L C 2.876 179.728 176.870 -0.031 0.000 1.081 152 L CA 1.888 56.589 54.840 -0.232 0.000 0.784 152 L CB -0.696 41.161 42.059 -0.337 0.000 0.896 152 L HN 0.508 nan 8.230 nan 0.000 0.438 153 L N -1.252 119.905 121.223 -0.111 0.000 2.017 153 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 153 L C 2.664 179.520 176.870 -0.023 0.000 1.073 153 L CA 1.296 56.100 54.840 -0.059 0.000 0.745 153 L CB -1.101 40.877 42.059 -0.134 0.000 0.894 153 L HN 0.416 nan 8.230 nan 0.000 0.432 154 A N 0.415 123.186 122.820 -0.080 0.000 1.883 154 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 154 A C 2.531 180.091 177.584 -0.040 0.000 1.186 154 A CA 2.131 54.143 52.037 -0.042 0.000 0.624 154 A CB -0.856 18.105 19.000 -0.064 0.000 0.822 154 A HN 0.518 nan 8.150 nan 0.000 0.444 155 S N -1.009 114.635 115.700 -0.093 0.000 2.469 155 S HA -0.204 4.266 4.470 -0.000 0.000 0.238 155 S C 1.346 175.815 174.600 -0.218 0.000 0.998 155 S CA 1.637 59.742 58.200 -0.158 0.000 0.957 155 S CB -0.660 62.408 63.200 -0.220 0.000 0.764 155 S HN 0.714 nan 8.310 nan 0.000 0.514 156 H N 0.307 119.350 119.070 -0.045 0.000 2.549 156 H HA 0.434 4.990 4.556 -0.000 0.000 0.279 156 H C 1.417 176.758 175.328 0.022 0.000 1.018 156 H CA 0.204 56.246 56.048 -0.009 0.000 1.175 156 H CB 0.387 30.131 29.762 -0.029 0.000 1.485 156 H HN 0.524 nan 8.280 nan 0.000 0.543 157 G N 0.624 109.475 108.800 0.086 0.000 2.182 157 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 157 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 157 G C 0.316 175.257 174.900 0.067 0.000 1.042 157 G CA 0.085 45.231 45.100 0.076 0.000 0.775 157 G HN 0.639 nan 8.290 nan 0.000 0.501 158 A N -0.259 122.594 122.820 0.054 0.000 2.477 158 A HA 0.656 4.976 4.320 -0.000 0.000 0.246 158 A C 0.596 178.215 177.584 0.059 0.000 1.078 158 A CA 0.145 52.204 52.037 0.037 0.000 0.770 158 A CB 0.385 19.388 19.000 0.006 0.000 1.011 158 A HN 0.931 nan 8.150 nan 0.000 0.494 159 L N 2.573 123.830 121.223 0.057 0.000 2.287 159 L HA 0.455 4.794 4.340 -0.000 0.000 0.287 159 L C -0.536 176.489 176.870 0.259 0.000 1.022 159 L CA -0.296 54.586 54.840 0.070 0.000 0.814 159 L CB 1.327 43.293 42.059 -0.156 0.000 1.217 159 L HN 0.725 nan 8.230 nan 0.000 0.420 160 D N 2.268 122.942 120.400 0.457 0.000 2.445 160 D HA 0.063 4.703 4.640 -0.000 0.000 0.236 160 D C 0.223 176.941 176.300 0.697 0.000 1.315 160 D CA -0.427 53.866 54.000 0.488 0.000 0.924 160 D CB 0.637 41.585 40.800 0.247 0.000 1.447 160 D HN 0.285 nan 8.370 nan 0.000 0.532 161 F N 2.859 123.149 119.950 0.567 0.000 2.069 161 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 161 F C 1.802 177.807 175.800 0.342 0.000 1.113 161 F CA 2.250 60.443 58.000 0.323 0.000 1.214 161 F CB 0.419 39.397 39.000 -0.036 0.000 0.978 161 F HN 0.423 nan 8.300 nan 0.000 0.474 162 A N -1.631 121.539 122.820 0.583 0.000 2.545 162 A HA 0.556 4.875 4.320 -0.000 0.000 0.263 162 A C 0.976 179.047 177.584 0.811 0.000 1.202 162 A CA 0.447 52.786 52.037 0.503 0.000 0.959 162 A CB -0.218 19.135 19.000 0.587 0.000 1.124 162 A HN 0.893 nan 8.150 nan 0.000 0.543 163 G N -1.202 108.117 108.800 0.866 0.000 2.189 163 G HA2 0.030 3.990 3.960 -0.000 0.000 0.113 163 G HA3 0.030 3.990 3.960 -0.000 0.000 0.113 163 G C 1.012 176.195 174.900 0.472 0.000 1.038 163 G CA 0.255 45.761 45.100 0.676 0.000 0.704 163 G HN 1.084 nan 8.290 nan 0.000 0.490 164 G N 0.246 109.287 108.800 0.402 0.000 2.442 164 G HA2 0.029 3.989 3.960 -0.000 0.000 0.219 164 G HA3 0.029 3.989 3.960 -0.000 0.000 0.219 164 G C 1.822 176.855 174.900 0.222 0.000 1.141 164 G CA 2.654 47.944 45.100 0.318 0.000 0.763 164 G HN 1.383 nan 8.290 nan 0.000 0.554 165 T N -1.004 113.625 114.554 0.125 0.000 2.818 165 T HA -0.011 4.339 4.350 -0.000 0.000 0.246 165 T C 2.319 177.021 174.700 0.003 0.000 1.036 165 T CA 1.260 63.383 62.100 0.038 0.000 1.160 165 T CB -0.727 68.102 68.868 -0.064 0.000 0.869 165 T HN -0.000 nan 8.240 nan 0.000 0.419 166 V N 1.833 121.639 119.914 -0.180 0.000 2.317 166 V HA -0.152 3.968 4.120 -0.000 0.000 0.251 166 V C 2.702 178.882 176.094 0.145 0.000 1.065 166 V CA 1.801 63.939 62.300 -0.269 0.000 1.049 166 V CB -0.998 30.333 31.823 -0.820 0.000 0.651 166 V HN 0.443 nan 8.190 nan 0.000 0.450 167 V N -0.771 119.343 119.914 0.332 0.000 2.635 167 V HA 0.176 4.296 4.120 -0.000 0.000 0.233 167 V C 2.509 178.835 176.094 0.386 0.000 1.097 167 V CA 1.193 63.779 62.300 0.478 0.000 1.134 167 V CB -0.739 31.449 31.823 0.609 0.000 0.841 167 V HN 0.433 nan 8.190 nan 0.000 0.496 168 A N 0.457 123.490 122.820 0.355 0.000 1.841 168 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 168 A C 2.151 179.900 177.584 0.275 0.000 1.199 168 A CA 2.266 54.487 52.037 0.307 0.000 0.621 168 A CB -0.754 18.431 19.000 0.308 0.000 0.835 168 A HN 0.463 nan 8.150 nan 0.000 0.445 169 I N -0.367 120.348 120.570 0.243 0.000 2.226 169 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 169 I C 2.472 178.732 176.117 0.239 0.000 1.100 169 I CA 1.459 62.887 61.300 0.213 0.000 1.374 169 I CB -0.519 37.584 38.000 0.171 0.000 1.057 169 I HN 0.393 nan 8.210 nan 0.000 0.413 170 N N 1.442 120.307 118.700 0.274 0.000 2.036 170 N HA -0.208 4.532 4.740 -0.000 0.000 0.195 170 N C 1.800 177.611 175.510 0.501 0.000 1.037 170 N CA 2.213 55.502 53.050 0.398 0.000 0.855 170 N CB -0.202 38.515 38.487 0.384 0.000 1.033 170 N HN 0.371 nan 8.380 nan 0.000 0.423 171 A N 0.082 123.142 122.820 0.401 0.000 1.929 171 A HA 0.172 4.492 4.320 -0.000 0.000 0.216 171 A C 2.349 179.962 177.584 0.047 0.000 1.176 171 A CA 1.787 53.945 52.037 0.201 0.000 0.628 171 A CB -0.975 18.175 19.000 0.250 0.000 0.816 171 A HN 0.418 nan 8.150 nan 0.000 0.444 172 A N 0.168 123.079 122.820 0.153 0.000 1.902 172 A HA -0.071 4.248 4.320 -0.000 0.000 0.217 172 A C 2.003 179.553 177.584 -0.056 0.000 1.181 172 A CA 1.643 53.744 52.037 0.106 0.000 0.623 172 A CB -0.466 18.672 19.000 0.230 0.000 0.818 172 A HN 0.403 nan 8.150 nan 0.000 0.443 173 I N -0.080 120.526 120.570 0.059 0.000 2.202 173 I HA -0.206 3.963 4.170 -0.000 0.000 0.242 173 I C 2.966 179.099 176.117 0.026 0.000 1.091 173 I CA 1.413 62.758 61.300 0.076 0.000 1.368 173 I CB -1.680 36.421 38.000 0.169 0.000 1.058 173 I HN 0.359 nan 8.210 nan 0.000 0.410 174 A N 1.092 123.926 122.820 0.022 0.000 1.908 174 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 174 A C 2.503 179.961 177.584 -0.209 0.000 1.181 174 A CA 2.010 54.021 52.037 -0.044 0.000 0.627 174 A CB -1.340 17.410 19.000 -0.416 0.000 0.818 174 A HN 0.439 nan 8.150 nan 0.000 0.445 175 G N -0.373 108.041 108.800 -0.643 0.000 2.402 175 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 175 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 175 G C 1.535 175.982 174.900 -0.755 0.000 1.162 175 G CA 0.961 45.281 45.100 -1.301 0.000 0.777 175 G HN 0.433 nan 8.290 nan 0.000 0.539 176 L N 0.256 121.205 121.223 -0.458 0.000 2.141 176 L HA -0.044 4.296 4.340 -0.000 0.000 0.209 176 L C 2.917 179.790 176.870 0.005 0.000 1.094 176 L CA 0.200 54.994 54.840 -0.077 0.000 0.763 176 L CB -0.296 41.773 42.059 0.017 0.000 0.908 176 L HN 0.080 nan 8.230 nan 0.000 0.437 177 V N 0.032 119.959 119.914 0.022 0.000 2.358 177 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 177 V C 2.583 178.652 176.094 -0.042 0.000 1.047 177 V CA 1.971 64.353 62.300 0.136 0.000 1.035 177 V CB -1.014 30.995 31.823 0.310 0.000 0.658 177 V HN 0.552 nan 8.190 nan 0.000 0.452 178 G N -0.396 108.234 108.800 -0.284 0.000 2.418 178 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 178 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 178 G C 1.764 176.447 174.900 -0.362 0.000 1.158 178 G CA 0.964 45.598 45.100 -0.776 0.000 0.771 178 G HN 0.595 nan 8.290 nan 0.000 0.545 179 A N -0.241 122.503 122.820 -0.126 0.000 1.972 179 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 179 A C 2.197 179.789 177.584 0.014 0.000 1.169 179 A CA 1.727 53.763 52.037 -0.002 0.000 0.635 179 A CB -0.556 18.524 19.000 0.134 0.000 0.810 179 A HN 0.507 nan 8.150 nan 0.000 0.446 180 Y N 0.202 120.456 120.300 -0.076 0.000 2.243 180 Y HA -0.008 4.542 4.550 -0.001 0.000 0.293 180 Y C 1.876 177.737 175.900 -0.065 0.000 1.124 180 Y CA 1.471 59.546 58.100 -0.043 0.000 1.159 180 Y CB -0.220 38.236 38.460 -0.006 0.000 1.008 180 Y HN 0.198 nan 8.280 nan 0.000 0.527 181 L N 0.097 121.190 121.223 -0.216 0.000 2.023 181 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 181 L C 0.911 177.606 176.870 -0.293 0.000 1.073 181 L CA 1.288 55.950 54.840 -0.296 0.000 0.745 181 L CB -0.444 41.457 42.059 -0.264 0.000 0.900 181 L HN 0.249 nan 8.230 nan 0.000 0.435 182 I N -3.527 116.875 120.570 -0.280 0.000 3.264 182 I HA 0.845 5.015 4.170 -0.000 0.000 0.309 182 I C -0.216 175.802 176.117 -0.166 0.000 1.099 182 I CA -0.809 60.362 61.300 -0.214 0.000 0.989 182 I CB 1.874 39.743 38.000 -0.218 0.000 1.250 182 I HN 0.021 nan 8.210 nan 0.000 0.478 183 G N 1.622 110.349 108.800 -0.122 0.000 3.400 183 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.679 183 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.679 183 G C -0.972 173.889 174.900 -0.065 0.000 1.239 183 G CA -0.817 44.234 45.100 -0.081 0.000 1.049 183 G HN 0.955 nan 8.290 nan 0.000 0.539 184 K N 1.746 122.115 120.400 -0.052 0.000 2.447 184 K HA 0.228 4.548 4.320 -0.000 0.000 0.281 184 K C 0.720 177.305 176.600 -0.025 0.000 1.031 184 K CA -0.189 56.073 56.287 -0.042 0.000 1.019 184 K CB 0.315 32.791 32.500 -0.041 0.000 0.918 184 K HN 0.405 nan 8.250 nan 0.000 0.476 185 R N 2.815 123.299 120.500 -0.026 0.000 2.357 185 R HA 0.207 4.547 4.340 -0.000 0.000 0.296 185 R C -0.114 176.183 176.300 -0.004 0.000 1.052 185 R CA -0.532 55.560 56.100 -0.014 0.000 0.988 185 R CB 0.896 31.184 30.300 -0.021 0.000 1.025 185 R HN 0.359 nan 8.270 nan 0.000 0.469 194 K N 6.645 126.546 120.400 -0.833 0.000 2.211 194 K HA 0.419 4.739 4.320 -0.000 0.000 0.275 194 K C -2.562 173.370 176.600 -1.113 0.000 1.024 194 K CA -1.838 54.035 56.287 -0.690 0.000 0.887 194 K CB 1.372 33.645 32.500 -0.379 0.000 1.084 194 K HN 0.354 nan 8.250 nan 0.000 0.463 195 P HA -0.125 nan 4.420 nan 0.000 0.261 195 P C 0.599 177.804 177.300 -0.159 0.000 1.158 195 P CA 0.575 63.538 63.100 -0.229 0.000 0.758 195 P CB 0.272 31.893 31.700 -0.132 0.000 0.763 196 H N 1.801 120.886 119.070 0.025 0.000 2.497 196 H HA 0.090 4.645 4.556 -0.000 0.000 0.282 196 H C 0.052 175.396 175.328 0.027 0.000 1.003 196 H CA 0.799 56.895 56.048 0.080 0.000 1.307 196 H CB 0.249 30.189 29.762 0.297 0.000 1.437 196 H HN 0.235 nan 8.280 nan 0.000 0.544 197 N N 0.815 119.185 118.700 -0.550 0.000 2.750 197 N HA 0.156 4.895 4.740 -0.000 0.000 0.253 197 N C 0.638 175.992 175.510 -0.260 0.000 1.408 197 N CA -0.198 52.604 53.050 -0.412 0.000 0.780 197 N CB 0.599 38.736 38.487 -0.583 0.000 1.191 197 N HN 0.179 nan 8.380 nan 0.000 0.511 198 L N 1.418 122.536 121.223 -0.175 0.000 2.093 198 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 198 L C -0.686 176.138 176.870 -0.076 0.000 1.085 198 L CA 1.113 55.871 54.840 -0.137 0.000 0.755 198 L CB -0.933 41.054 42.059 -0.120 0.000 0.904 198 L HN 0.304 nan 8.230 nan 0.000 0.435 199 P HA -0.235 nan 4.420 nan 0.000 0.217 199 P C 1.769 179.101 177.300 0.053 0.000 1.148 199 P CA 1.589 64.693 63.100 0.007 0.000 0.828 199 P CB 0.000 31.686 31.700 -0.023 0.000 0.783 200 M N -0.944 118.633 119.600 -0.038 0.000 2.200 200 M HA -0.114 4.365 4.480 -0.000 0.000 0.265 200 M C 1.618 177.876 176.300 -0.070 0.000 1.066 200 M CA 1.655 56.925 55.300 -0.049 0.000 1.127 200 M CB -0.343 32.198 32.600 -0.097 0.000 1.379 200 M HN -0.236 nan 8.290 nan 0.000 0.420 201 V N 0.536 120.368 119.914 -0.135 0.000 2.343 201 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 201 V C 2.164 178.208 176.094 -0.084 0.000 1.051 201 V CA 2.048 64.196 62.300 -0.254 0.000 1.036 201 V CB -1.090 30.492 31.823 -0.401 0.000 0.654 201 V HN 0.590 nan 8.190 nan 0.000 0.451 202 F N 1.660 121.532 119.950 -0.130 0.000 2.134 202 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 202 F C 2.393 178.172 175.800 -0.035 0.000 1.097 202 F CA 2.315 60.270 58.000 -0.075 0.000 1.264 202 F CB -0.710 38.243 39.000 -0.079 0.000 1.001 202 F HN 0.125 nan 8.300 nan 0.000 0.479 203 T N 0.035 114.525 114.554 -0.107 0.000 2.708 203 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 203 T C 2.177 176.755 174.700 -0.203 0.000 1.037 203 T CA 1.473 63.461 62.100 -0.186 0.000 1.146 203 T CB -1.266 67.594 68.868 -0.013 0.000 0.865 203 T HN 0.475 nan 8.240 nan 0.000 0.435 204 G N 1.138 109.877 108.800 -0.102 0.000 2.418 204 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 204 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 204 G C 1.725 176.594 174.900 -0.052 0.000 1.158 204 G CA 1.447 46.519 45.100 -0.047 0.000 0.771 204 G HN 0.454 nan 8.290 nan 0.000 0.545 205 T N 1.710 116.265 114.554 0.002 0.000 2.708 205 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 205 T C 2.824 177.421 174.700 -0.172 0.000 1.037 205 T CA 1.605 63.674 62.100 -0.052 0.000 1.146 205 T CB -0.415 68.434 68.868 -0.032 0.000 0.865 205 T HN 0.379 nan 8.240 nan 0.000 0.435 206 A N 1.085 123.700 122.820 -0.342 0.000 1.877 206 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 206 A C 2.303 179.825 177.584 -0.103 0.000 1.186 206 A CA 1.330 53.197 52.037 -0.283 0.000 0.620 206 A CB -0.811 17.873 19.000 -0.527 0.000 0.822 206 A HN 0.524 nan 8.150 nan 0.000 0.443 207 I N -0.536 119.901 120.570 -0.222 0.000 2.252 207 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 207 I C 2.380 178.314 176.117 -0.305 0.000 1.102 207 I CA 0.958 62.025 61.300 -0.389 0.000 1.385 207 I CB -0.278 37.326 38.000 -0.659 0.000 1.064 207 I HN 0.292 nan 8.210 nan 0.000 0.414 208 L N -0.551 120.554 121.223 -0.197 0.000 2.046 208 L HA -0.273 4.067 4.340 -0.000 0.000 0.208 208 L C 2.674 179.602 176.870 0.095 0.000 1.077 208 L CA 1.550 56.331 54.840 -0.098 0.000 0.747 208 L CB -0.741 41.268 42.059 -0.084 0.000 0.896 208 L HN 0.259 nan 8.230 nan 0.000 0.432 209 Y N 0.581 120.853 120.300 -0.046 0.000 2.114 209 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 209 Y C 2.465 178.409 175.900 0.073 0.000 1.143 209 Y CA 1.577 59.651 58.100 -0.044 0.000 1.135 209 Y CB -0.114 38.301 38.460 -0.075 0.000 0.980 209 Y HN -0.036 nan 8.280 nan 0.000 0.499 210 I N 0.422 121.036 120.570 0.073 0.000 2.179 210 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 210 I C 2.702 178.941 176.117 0.203 0.000 1.088 210 I CA 1.678 63.078 61.300 0.168 0.000 1.357 210 I CB -2.086 36.060 38.000 0.243 0.000 1.051 210 I HN 0.429 nan 8.210 nan 0.000 0.409 211 G N -0.444 108.431 108.800 0.124 0.000 2.432 211 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 211 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 211 G C 1.539 176.462 174.900 0.037 0.000 1.135 211 G CA 0.014 45.179 45.100 0.109 0.000 0.767 211 G HN 0.380 nan 8.290 nan 0.000 0.550 212 W N 0.551 121.710 121.300 -0.236 0.000 2.468 212 W HA 0.048 4.708 4.660 -0.000 0.000 0.262 212 W C 1.638 177.952 176.519 -0.341 0.000 1.241 212 W CA 0.287 57.422 57.345 -0.350 0.000 1.232 212 W CB -0.327 28.812 29.460 -0.535 0.000 1.124 212 W HN 0.264 nan 8.180 nan 0.000 0.597 213 F N -0.063 119.887 119.950 -0.001 0.000 2.206 213 F HA -0.027 4.500 4.527 0.000 0.000 0.298 213 F C 2.633 178.476 175.800 0.071 0.000 1.090 213 F CA 1.717 59.630 58.000 -0.145 0.000 1.323 213 F CB -1.207 37.524 39.000 -0.449 0.000 1.028 213 F HN -0.195 nan 8.300 nan 0.000 0.492 214 G N -0.837 108.110 108.800 0.244 0.000 2.394 214 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.215 214 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.215 214 G C 1.637 176.726 174.900 0.316 0.000 1.165 214 G CA 0.444 45.660 45.100 0.193 0.000 0.784 214 G HN 0.313 nan 8.290 nan 0.000 0.535 215 F N 2.033 122.013 119.950 0.050 0.000 2.046 215 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 215 F C 2.481 178.482 175.800 0.336 0.000 1.123 215 F CA 2.005 59.992 58.000 -0.023 0.000 1.199 215 F CB -0.085 38.563 39.000 -0.587 0.000 0.972 215 F HN 0.054 nan 8.300 nan 0.000 0.474 216 N N 0.439 119.506 118.700 0.611 0.000 2.132 216 N HA -0.043 4.697 4.740 -0.000 0.000 0.187 216 N C 1.950 177.765 175.510 0.509 0.000 1.038 216 N CA 1.650 55.045 53.050 0.576 0.000 0.846 216 N CB -1.113 37.654 38.487 0.465 0.000 1.012 216 N HN 0.356 nan 8.380 nan 0.000 0.429 217 A N 0.450 123.534 122.820 0.441 0.000 1.902 217 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 217 A C 2.263 180.134 177.584 0.478 0.000 1.181 217 A CA 1.918 54.270 52.037 0.524 0.000 0.623 217 A CB -1.242 18.178 19.000 0.700 0.000 0.818 217 A HN 0.372 nan 8.150 nan 0.000 0.443 218 G N -0.988 107.966 108.800 0.257 0.000 2.470 218 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.220 218 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.220 218 G C 1.559 176.355 174.900 -0.173 0.000 1.121 218 G CA 1.103 46.138 45.100 -0.108 0.000 0.766 218 G HN 0.473 nan 8.290 nan 0.000 0.553 219 S N 0.539 116.311 115.700 0.120 0.000 2.547 219 S HA 0.123 4.593 4.470 -0.000 0.000 0.235 219 S C 2.490 176.832 174.600 -0.430 0.000 0.980 219 S CA 0.687 58.756 58.200 -0.219 0.000 0.941 219 S CB -0.047 62.952 63.200 -0.335 0.000 0.763 219 S HN 0.576 nan 8.310 nan 0.000 0.532 220 A N 0.640 123.466 122.820 0.009 0.000 2.067 220 A HA 0.415 4.735 4.320 -0.000 0.000 0.217 220 A C 1.895 179.463 177.584 -0.027 0.000 1.156 220 A CA 0.996 53.114 52.037 0.135 0.000 0.683 220 A CB -0.811 18.386 19.000 0.328 0.000 0.808 220 A HN 0.845 nan 8.150 nan 0.000 0.455 221 G N -2.044 106.677 108.800 -0.132 0.000 2.162 221 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.260 221 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.260 221 G C 0.403 175.256 174.900 -0.078 0.000 0.976 221 G CA 1.246 46.222 45.100 -0.206 0.000 0.655 221 G HN 1.697 nan 8.290 nan 0.000 0.533 222 T N -2.131 112.450 114.554 0.045 0.000 2.893 222 T HA 0.664 5.014 4.350 -0.000 0.000 0.337 222 T C -0.216 174.430 174.700 -0.090 0.000 1.587 222 T CA 0.591 62.702 62.100 0.018 0.000 1.066 222 T CB 0.986 69.838 68.868 -0.027 0.000 1.414 222 T HN 1.715 nan 8.240 nan 0.000 0.488 223 A N 4.079 126.700 122.820 -0.331 0.000 3.091 223 A HA 0.461 4.781 4.320 -0.000 0.000 0.264 223 A C 0.675 178.049 177.584 -0.350 0.000 1.673 223 A CA -0.464 51.138 52.037 -0.725 0.000 1.362 223 A CB -1.219 17.244 19.000 -0.894 0.000 1.137 223 A HN 0.782 nan 8.150 nan 0.000 0.617 224 N N -0.323 118.253 118.700 -0.207 0.000 2.823 224 N HA 0.115 4.854 4.740 -0.000 0.000 0.324 224 N C 0.912 176.372 175.510 -0.083 0.000 1.336 224 N CA -0.083 52.899 53.050 -0.113 0.000 0.861 224 N CB 0.166 38.621 38.487 -0.053 0.000 1.157 224 N HN 0.238 nan 8.380 nan 0.000 0.585 225 E N -0.212 119.961 120.200 -0.045 0.000 2.268 225 E HA -0.101 4.248 4.350 -0.000 0.000 0.195 225 E C 1.388 177.982 176.600 -0.009 0.000 0.995 225 E CA 0.791 57.173 56.400 -0.030 0.000 0.836 225 E CB -0.221 29.467 29.700 -0.021 0.000 0.763 225 E HN 0.550 nan 8.360 nan 0.000 0.491 226 I N 1.844 122.419 120.570 0.009 0.000 2.406 226 I HA -0.048 4.122 4.170 -0.000 0.000 0.249 226 I C 2.656 178.806 176.117 0.054 0.000 1.122 226 I CA 0.997 62.304 61.300 0.012 0.000 1.431 226 I CB -1.538 36.499 38.000 0.062 0.000 1.087 226 I HN 0.120 nan 8.210 nan 0.000 0.424 227 A N 1.207 124.091 122.820 0.106 0.000 1.902 227 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 227 A C 2.584 180.286 177.584 0.197 0.000 1.181 227 A CA 2.078 54.237 52.037 0.203 0.000 0.623 227 A CB -0.784 18.273 19.000 0.095 0.000 0.818 227 A HN 0.394 nan 8.150 nan 0.000 0.443 228 A N -0.516 122.349 122.820 0.075 0.000 1.902 228 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 228 A C 2.157 179.814 177.584 0.121 0.000 1.181 228 A CA 1.768 53.847 52.037 0.069 0.000 0.623 228 A CB -0.635 18.351 19.000 -0.024 0.000 0.818 228 A HN 0.747 nan 8.150 nan 0.000 0.443 229 L N -0.248 121.011 121.223 0.060 0.000 2.017 229 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 229 L C 2.657 179.558 176.870 0.052 0.000 1.073 229 L CA 2.292 57.151 54.840 0.033 0.000 0.745 229 L CB -0.772 41.265 42.059 -0.036 0.000 0.894 229 L HN 0.326 nan 8.230 nan 0.000 0.432 230 A N -1.048 121.790 122.820 0.029 0.000 1.902 230 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 230 A C 2.246 179.954 177.584 0.206 0.000 1.181 230 A CA 1.845 53.907 52.037 0.042 0.000 0.623 230 A CB -1.166 17.866 19.000 0.054 0.000 0.818 230 A HN 0.529 nan 8.150 nan 0.000 0.443 231 F N 0.559 120.624 119.950 0.190 0.000 2.046 231 F HA -0.176 4.351 4.527 0.000 0.000 0.297 231 F C 2.409 178.372 175.800 0.271 0.000 1.123 231 F CA 2.053 60.239 58.000 0.309 0.000 1.199 231 F CB -0.467 38.676 39.000 0.239 0.000 0.972 231 F HN 0.034 nan 8.300 nan 0.000 0.474 232 V N 0.694 120.887 119.914 0.464 0.000 2.332 232 V HA -0.340 3.779 4.120 -0.000 0.000 0.248 232 V C 2.144 178.356 176.094 0.196 0.000 1.055 232 V CA 2.160 64.644 62.300 0.306 0.000 1.038 232 V CB -0.822 31.105 31.823 0.175 0.000 0.651 232 V HN 0.361 nan 8.190 nan 0.000 0.450 233 N N -0.111 118.667 118.700 0.129 0.000 2.289 233 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 233 N C 1.870 177.403 175.510 0.038 0.000 1.016 233 N CA 1.748 54.834 53.050 0.059 0.000 0.872 233 N CB -0.467 38.030 38.487 0.016 0.000 0.973 233 N HN 0.472 nan 8.380 nan 0.000 0.433 234 T N 0.517 115.094 114.554 0.039 0.000 2.777 234 T HA -0.016 4.334 4.350 -0.000 0.000 0.266 234 T C 2.161 176.858 174.700 -0.004 0.000 1.040 234 T CA 0.675 62.710 62.100 -0.108 0.000 1.141 234 T CB -0.212 68.437 68.868 -0.365 0.000 0.868 234 T HN -0.040 nan 8.240 nan 0.000 0.444 235 V N 1.312 121.359 119.914 0.222 0.000 2.295 235 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 235 V C 2.652 178.856 176.094 0.184 0.000 1.049 235 V CA 1.397 63.897 62.300 0.334 0.000 1.024 235 V CB -0.702 31.337 31.823 0.361 0.000 0.648 235 V HN 0.306 nan 8.190 nan 0.000 0.447 236 V N 0.222 120.209 119.914 0.121 0.000 2.270 236 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 236 V C 2.700 178.805 176.094 0.019 0.000 1.043 236 V CA 2.053 64.390 62.300 0.062 0.000 1.014 236 V CB -1.145 30.704 31.823 0.044 0.000 0.645 236 V HN 0.549 nan 8.190 nan 0.000 0.447 237 A N -0.234 122.583 122.820 -0.006 0.000 1.933 237 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 237 A C 2.382 179.936 177.584 -0.049 0.000 1.175 237 A CA 2.414 54.428 52.037 -0.039 0.000 0.628 237 A CB -0.947 18.017 19.000 -0.060 0.000 0.814 237 A HN 0.519 nan 8.150 nan 0.000 0.444 238 T N 0.378 114.902 114.554 -0.051 0.000 2.746 238 T HA -0.024 4.326 4.350 -0.000 0.000 0.267 238 T C 2.235 176.900 174.700 -0.057 0.000 1.039 238 T CA 1.589 63.644 62.100 -0.076 0.000 1.142 238 T CB -0.457 68.403 68.868 -0.013 0.000 0.866 238 T HN 0.592 nan 8.240 nan 0.000 0.444 239 A N 1.529 124.341 122.820 -0.013 0.000 1.877 239 A HA 0.168 4.488 4.320 -0.000 0.000 0.216 239 A C 2.661 180.242 177.584 -0.004 0.000 1.186 239 A CA 1.822 53.852 52.037 -0.011 0.000 0.620 239 A CB -1.145 17.868 19.000 0.021 0.000 0.822 239 A HN 0.506 nan 8.150 nan 0.000 0.443 240 A N -0.309 122.510 122.820 -0.002 0.000 1.933 240 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 240 A C 2.441 180.040 177.584 0.025 0.000 1.175 240 A CA 1.998 54.035 52.037 0.000 0.000 0.628 240 A CB -0.846 18.144 19.000 -0.017 0.000 0.814 240 A HN 1.028 nan 8.150 nan 0.000 0.444 241 A N -0.370 122.465 122.820 0.024 0.000 1.968 241 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 241 A C 2.070 179.723 177.584 0.116 0.000 1.169 241 A CA 1.217 53.298 52.037 0.073 0.000 0.638 241 A CB -0.484 18.540 19.000 0.039 0.000 0.812 241 A HN 0.471 nan 8.150 nan 0.000 0.446 242 I N -0.187 120.409 120.570 0.043 0.000 2.202 242 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 242 I C 2.301 178.485 176.117 0.112 0.000 1.091 242 I CA 1.114 62.437 61.300 0.039 0.000 1.368 242 I CB -0.248 37.733 38.000 -0.032 0.000 1.058 242 I HN 0.291 nan 8.210 nan 0.000 0.410 243 L N 0.079 121.354 121.223 0.086 0.000 2.093 243 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 243 L C 2.658 179.634 176.870 0.176 0.000 1.085 243 L CA 1.469 56.371 54.840 0.103 0.000 0.755 243 L CB -1.229 40.855 42.059 0.042 0.000 0.904 243 L HN 0.320 nan 8.230 nan 0.000 0.435 244 G N -0.574 108.327 108.800 0.169 0.000 2.421 244 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 244 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 244 G C 1.361 176.441 174.900 0.299 0.000 1.171 244 G CA 0.271 45.494 45.100 0.205 0.000 0.775 244 G HN 0.394 nan 8.290 nan 0.000 0.543 245 W N 1.266 122.634 121.300 0.113 0.000 2.354 245 W HA -0.081 4.578 4.660 -0.000 0.000 0.315 245 W C 2.203 178.794 176.519 0.120 0.000 1.206 245 W CA 0.945 58.354 57.345 0.107 0.000 1.290 245 W CB -0.467 29.034 29.460 0.068 0.000 1.152 245 W HN 0.109 nan 8.180 nan 0.000 0.489 246 I N 0.431 121.281 120.570 0.466 0.000 2.286 246 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 246 I C 2.438 178.742 176.117 0.312 0.000 1.115 246 I CA 1.470 62.976 61.300 0.342 0.000 1.392 246 I CB -1.782 36.347 38.000 0.216 0.000 1.065 246 I HN -0.076 nan 8.210 nan 0.000 0.418 247 F N 1.942 122.000 119.950 0.181 0.000 2.146 247 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 247 F C 2.378 178.335 175.800 0.260 0.000 1.096 247 F CA 1.616 59.728 58.000 0.187 0.000 1.275 247 F CB -0.703 38.357 39.000 0.099 0.000 1.008 247 F HN 0.023 nan 8.300 nan 0.000 0.480 248 G N -0.421 108.424 108.800 0.075 0.000 2.408 248 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 248 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 248 G C 1.573 176.409 174.900 -0.107 0.000 1.150 248 G CA 0.762 45.809 45.100 -0.089 0.000 0.776 248 G HN 0.485 nan 8.290 nan 0.000 0.542 249 E N -0.683 119.529 120.200 0.021 0.000 2.072 249 E HA -0.140 4.209 4.350 -0.000 0.000 0.191 249 E C 2.034 178.653 176.600 0.031 0.000 0.985 249 E CA 0.819 57.254 56.400 0.058 0.000 0.801 249 E CB -0.257 29.576 29.700 0.221 0.000 0.750 249 E HN 0.608 nan 8.360 nan 0.000 0.452 250 W N 1.034 122.262 121.300 -0.119 0.000 2.358 250 W HA -0.135 4.525 4.660 -0.000 0.000 0.303 250 W C 2.048 178.439 176.519 -0.213 0.000 1.208 250 W CA 2.132 59.397 57.345 -0.134 0.000 1.274 250 W CB -0.367 29.027 29.460 -0.111 0.000 1.138 250 W HN 0.111 nan 8.180 nan 0.000 0.515 251 A N 0.327 122.944 122.820 -0.339 0.000 1.898 251 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 251 A C 2.051 179.379 177.584 -0.427 0.000 1.181 251 A CA 1.821 53.511 52.037 -0.578 0.000 0.620 251 A CB -0.890 17.801 19.000 -0.515 0.000 0.819 251 A HN 0.404 nan 8.150 nan 0.000 0.442 252 L N -2.320 118.739 121.223 -0.274 0.000 2.354 252 L HA 0.120 4.460 4.340 -0.000 0.000 0.212 252 L C 2.349 179.116 176.870 -0.171 0.000 1.091 252 L CA 0.641 55.367 54.840 -0.189 0.000 0.828 252 L CB -0.058 41.925 42.059 -0.125 0.000 0.973 252 L HN 0.227 nan 8.230 nan 0.000 0.461 253 R N -0.818 119.580 120.500 -0.170 0.000 2.446 253 R HA 0.256 4.596 4.340 -0.000 0.000 0.254 253 R C 1.281 177.482 176.300 -0.166 0.000 0.918 253 R CA 0.576 56.600 56.100 -0.127 0.000 1.069 253 R CB 0.972 31.238 30.300 -0.057 0.000 1.194 253 R HN 0.273 nan 8.270 nan 0.000 0.534 254 G N 1.856 110.479 108.800 -0.295 0.000 2.253 254 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.251 254 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.251 254 G C -0.013 174.759 174.900 -0.212 0.000 0.998 254 G CA 0.752 45.636 45.100 -0.360 0.000 0.621 254 G HN 0.385 nan 8.290 nan 0.000 0.524 255 K N -0.342 120.031 120.400 -0.045 0.000 2.575 255 K HA 0.674 4.994 4.320 -0.000 0.000 0.279 255 K C -3.431 173.249 176.600 0.133 0.000 0.969 255 K CA -1.781 54.573 56.287 0.112 0.000 0.868 255 K CB 2.895 35.434 32.500 0.064 0.000 1.457 255 K HN 0.075 nan 8.250 nan 0.000 0.426 256 P HA 0.142 nan 4.420 nan 0.000 0.279 256 P C -0.825 176.525 177.300 0.082 0.000 1.276 256 P CA -0.418 62.767 63.100 0.141 0.000 0.801 256 P CB 1.271 33.050 31.700 0.132 0.000 1.127 257 S N -0.649 115.093 115.700 0.070 0.000 2.595 257 S HA 0.280 4.750 4.470 -0.000 0.000 0.281 257 S C 0.647 175.238 174.600 -0.016 0.000 1.117 257 S CA -0.679 57.533 58.200 0.021 0.000 0.873 257 S CB 1.056 64.272 63.200 0.026 0.000 1.108 257 S HN 0.251 nan 8.310 nan 0.000 0.477 258 L N 1.392 122.587 121.223 -0.047 0.000 2.046 258 L HA 0.129 4.469 4.340 -0.000 0.000 0.208 258 L C 2.058 178.879 176.870 -0.083 0.000 1.077 258 L CA 1.765 56.564 54.840 -0.069 0.000 0.747 258 L CB -1.108 40.896 42.059 -0.090 0.000 0.896 258 L HN 0.844 nan 8.230 nan 0.000 0.432 259 L N -0.143 121.025 121.223 -0.091 0.000 2.083 259 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 259 L C 2.300 179.044 176.870 -0.210 0.000 1.083 259 L CA 2.021 56.783 54.840 -0.130 0.000 0.752 259 L CB -1.474 40.524 42.059 -0.101 0.000 0.899 259 L HN 0.325 nan 8.230 nan 0.000 0.433 260 G N -1.202 107.507 108.800 -0.151 0.000 2.402 260 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 260 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 260 G C 1.606 176.153 174.900 -0.588 0.000 1.162 260 G CA 0.759 45.672 45.100 -0.312 0.000 0.777 260 G HN 0.613 nan 8.290 nan 0.000 0.539 261 A N 0.004 122.678 122.820 -0.242 0.000 1.902 261 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 261 A C 2.572 180.014 177.584 -0.236 0.000 1.181 261 A CA 1.805 53.734 52.037 -0.180 0.000 0.623 261 A CB -0.971 17.990 19.000 -0.065 0.000 0.818 261 A HN 0.421 nan 8.150 nan 0.000 0.443 262 C N -0.635 118.544 119.300 -0.201 0.000 2.440 262 C HA -0.027 4.433 4.460 -0.000 0.000 0.278 262 C C 3.237 178.070 174.990 -0.263 0.000 1.295 262 C CA 1.210 60.142 59.018 -0.144 0.000 1.738 262 C CB -1.177 26.548 27.740 -0.024 0.000 1.987 262 C HN 0.619 nan 8.230 nan 0.000 0.492 263 S N 0.846 116.236 115.700 -0.516 0.000 2.383 263 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 263 S C 2.095 176.188 174.600 -0.844 0.000 1.026 263 S CA 1.383 59.121 58.200 -0.770 0.000 0.981 263 S CB -0.635 61.807 63.200 -1.264 0.000 0.818 263 S HN 0.756 nan 8.310 nan 0.000 0.472 264 G N 1.617 109.884 108.800 -0.889 0.000 2.418 264 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.217 264 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.217 264 G C 1.573 176.382 174.900 -0.152 0.000 1.158 264 G CA 0.907 45.861 45.100 -0.244 0.000 0.771 264 G HN 0.571 nan 8.290 nan 0.000 0.545 265 A N 1.159 123.842 122.820 -0.229 0.000 1.865 265 A HA -0.025 4.294 4.320 -0.000 0.000 0.217 265 A C 2.335 179.755 177.584 -0.274 0.000 1.191 265 A CA 1.608 53.505 52.037 -0.233 0.000 0.623 265 A CB -0.348 18.497 19.000 -0.258 0.000 0.826 265 A HN 0.271 nan 8.150 nan 0.000 0.444 266 I N 0.113 120.515 120.570 -0.280 0.000 2.286 266 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 266 I C 2.902 178.874 176.117 -0.242 0.000 1.115 266 I CA 1.368 62.478 61.300 -0.317 0.000 1.392 266 I CB -1.767 36.062 38.000 -0.284 0.000 1.065 266 I HN 0.368 nan 8.210 nan 0.000 0.418 267 A N 1.079 123.838 122.820 -0.102 0.000 1.902 267 A HA -0.099 4.220 4.320 -0.000 0.000 0.217 267 A C 2.535 180.099 177.584 -0.034 0.000 1.181 267 A CA 1.942 54.004 52.037 0.043 0.000 0.623 267 A CB -1.316 17.845 19.000 0.269 0.000 0.818 267 A HN 0.423 nan 8.150 nan 0.000 0.443 268 G N -0.396 108.347 108.800 -0.095 0.000 2.402 268 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.216 268 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.216 268 G C 1.571 176.314 174.900 -0.262 0.000 1.162 268 G CA 0.943 45.967 45.100 -0.126 0.000 0.777 268 G HN 0.416 nan 8.290 nan 0.000 0.539 269 L N 0.169 121.094 121.223 -0.496 0.000 2.017 269 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 269 L C 3.010 179.428 176.870 -0.754 0.000 1.073 269 L CA 0.646 54.887 54.840 -0.997 0.000 0.745 269 L CB -0.495 40.488 42.059 -1.793 0.000 0.894 269 L HN 0.091 nan 8.230 nan 0.000 0.432 270 V N -0.036 119.612 119.914 -0.443 0.000 2.307 270 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 270 V C 2.610 178.748 176.094 0.073 0.000 1.045 270 V CA 1.988 64.281 62.300 -0.011 0.000 1.024 270 V CB -1.260 30.613 31.823 0.083 0.000 0.651 270 V HN 0.574 nan 8.190 nan 0.000 0.449 271 G N -0.846 107.966 108.800 0.020 0.000 2.440 271 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 271 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 271 G C 1.693 176.642 174.900 0.082 0.000 1.154 271 G CA 1.206 46.347 45.100 0.068 0.000 0.767 271 G HN 0.391 nan 8.290 nan 0.000 0.552 272 V N 0.555 120.484 119.914 0.025 0.000 3.306 272 V HA -0.025 4.095 4.120 -0.000 0.000 0.264 272 V C 2.877 179.076 176.094 0.175 0.000 1.149 272 V CA 2.008 64.344 62.300 0.059 0.000 1.143 272 V CB -0.476 31.336 31.823 -0.020 0.000 0.767 272 V HN 0.384 nan 8.190 nan 0.000 0.476 273 T N 1.921 116.629 114.554 0.256 0.000 2.624 273 T HA -0.126 4.223 4.350 -0.000 0.000 0.268 273 T C -0.213 174.790 174.700 0.506 0.000 1.041 273 T CA 2.359 64.755 62.100 0.494 0.000 1.159 273 T CB -1.128 68.132 68.868 0.653 0.000 0.863 273 T HN 0.552 nan 8.240 nan 0.000 0.434 274 P HA 0.184 nan 4.420 nan 0.000 0.225 274 P C 0.908 178.501 177.300 0.488 0.000 1.156 274 P CA 0.913 64.290 63.100 0.462 0.000 0.787 274 P CB -0.020 31.897 31.700 0.361 0.000 0.802 275 A N -0.054 122.982 122.820 0.360 0.000 2.115 275 A HA -0.010 4.309 4.320 -0.000 0.000 0.211 275 A C 2.398 180.056 177.584 0.124 0.000 1.169 275 A CA 0.789 53.011 52.037 0.308 0.000 0.787 275 A CB -1.704 17.433 19.000 0.227 0.000 0.858 275 A HN 0.378 nan 8.150 nan 0.000 0.474 276 C N -0.983 118.353 119.300 0.061 0.000 2.375 276 C HA -0.105 4.355 4.460 -0.000 0.000 0.274 276 C C 2.459 177.181 174.990 -0.446 0.000 1.190 276 C CA 0.996 59.952 59.018 -0.103 0.000 1.775 276 C CB -1.737 26.019 27.740 0.027 0.000 2.067 276 C HN 0.534 nan 8.230 nan 0.000 0.463 277 G N -2.223 105.860 108.800 -1.195 0.000 2.985 277 G HA2 0.293 4.253 3.960 -0.000 0.000 0.209 277 G HA3 0.293 4.253 3.960 -0.000 0.000 0.209 277 G C 0.854 175.227 174.900 -0.878 0.000 1.165 277 G CA 0.431 44.564 45.100 -1.612 0.000 0.776 277 G HN 0.690 nan 8.290 nan 0.000 0.541 278 Y N -0.051 120.113 120.300 -0.227 0.000 2.430 278 Y HA 0.365 4.915 4.550 -0.000 0.000 0.254 278 Y C 1.275 177.154 175.900 -0.036 0.000 1.088 278 Y CA -1.533 56.532 58.100 -0.059 0.000 1.267 278 Y CB 0.201 38.688 38.460 0.045 0.000 1.204 278 Y HN 0.218 nan 8.280 nan 0.000 0.515 279 I N -1.753 118.883 120.570 0.110 0.000 2.947 279 I HA 0.878 5.048 4.170 -0.000 0.000 0.314 279 I C 0.641 176.785 176.117 0.046 0.000 1.028 279 I CA -1.194 60.167 61.300 0.101 0.000 1.077 279 I CB 1.283 39.361 38.000 0.130 0.000 1.274 279 I HN -0.005 nan 8.210 nan 0.000 0.485 280 G N 0.824 109.660 108.800 0.060 0.000 2.477 280 G HA2 0.414 4.374 3.960 -0.000 0.000 0.304 280 G HA3 0.414 4.374 3.960 -0.000 0.000 0.304 280 G C 0.887 175.795 174.900 0.013 0.000 1.175 280 G CA -0.202 44.919 45.100 0.035 0.000 0.907 280 G HN 0.929 nan 8.290 nan 0.000 0.509 281 V N -0.511 119.409 119.914 0.010 0.000 2.469 281 V HA -0.063 4.057 4.120 -0.000 0.000 0.251 281 V C 2.468 178.549 176.094 -0.023 0.000 1.064 281 V CA 2.332 64.632 62.300 0.001 0.000 1.066 281 V CB -1.227 30.605 31.823 0.016 0.000 0.667 281 V HN 0.746 nan 8.190 nan 0.000 0.461 282 G N 0.717 109.507 108.800 -0.015 0.000 2.402 282 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.216 282 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.216 282 G C 1.556 176.380 174.900 -0.127 0.000 1.162 282 G CA 0.788 45.869 45.100 -0.033 0.000 0.777 282 G HN 0.755 nan 8.290 nan 0.000 0.539 283 G N 0.930 109.645 108.800 -0.141 0.000 2.422 283 G HA2 0.093 4.053 3.960 -0.000 0.000 0.218 283 G HA3 0.093 4.053 3.960 -0.000 0.000 0.218 283 G C 1.989 176.656 174.900 -0.389 0.000 1.140 283 G CA 1.439 46.264 45.100 -0.459 0.000 0.775 283 G HN 0.626 nan 8.290 nan 0.000 0.545 284 A N 0.388 123.106 122.820 -0.170 0.000 1.930 284 A HA 0.150 4.470 4.320 -0.000 0.000 0.217 284 A C 2.340 179.852 177.584 -0.120 0.000 1.175 284 A CA 1.318 53.288 52.037 -0.112 0.000 0.627 284 A CB -0.375 18.598 19.000 -0.044 0.000 0.815 284 A HN 0.384 nan 8.150 nan 0.000 0.443 285 L N -0.416 120.738 121.223 -0.116 0.000 2.056 285 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 285 L C 2.351 179.145 176.870 -0.126 0.000 1.078 285 L CA 1.422 56.207 54.840 -0.092 0.000 0.749 285 L CB -0.209 41.809 42.059 -0.068 0.000 0.901 285 L HN 0.425 nan 8.230 nan 0.000 0.433 286 I N -0.443 119.998 120.570 -0.215 0.000 2.179 286 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 286 I C 2.366 178.360 176.117 -0.204 0.000 1.088 286 I CA 1.494 62.651 61.300 -0.238 0.000 1.357 286 I CB -0.232 37.531 38.000 -0.394 0.000 1.051 286 I HN 0.235 nan 8.210 nan 0.000 0.409 287 I N 0.666 121.079 120.570 -0.261 0.000 2.226 287 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 287 I C 2.666 178.750 176.117 -0.054 0.000 1.100 287 I CA 1.641 62.862 61.300 -0.131 0.000 1.374 287 I CB -0.851 37.084 38.000 -0.108 0.000 1.057 287 I HN 0.275 nan 8.210 nan 0.000 0.413 288 G N 0.436 109.200 108.800 -0.061 0.000 2.446 288 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 288 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 288 G C 1.713 176.615 174.900 0.003 0.000 1.168 288 G CA 0.948 46.031 45.100 -0.027 0.000 0.771 288 G HN 0.233 nan 8.290 nan 0.000 0.551 289 V N 0.466 120.373 119.914 -0.013 0.000 2.255 289 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 289 V C 3.071 179.183 176.094 0.030 0.000 1.051 289 V CA 1.680 63.986 62.300 0.010 0.000 1.018 289 V CB -0.515 31.297 31.823 -0.019 0.000 0.641 289 V HN 0.250 nan 8.190 nan 0.000 0.445 290 V N 0.229 120.150 119.914 0.012 0.000 2.295 290 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 290 V C 2.700 178.823 176.094 0.048 0.000 1.049 290 V CA 2.049 64.364 62.300 0.024 0.000 1.024 290 V CB -1.202 30.634 31.823 0.021 0.000 0.648 290 V HN 0.567 nan 8.190 nan 0.000 0.447 291 A N 0.554 123.408 122.820 0.057 0.000 1.908 291 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 291 A C 2.423 180.093 177.584 0.143 0.000 1.181 291 A CA 2.041 54.133 52.037 0.091 0.000 0.627 291 A CB -1.248 17.794 19.000 0.071 0.000 0.818 291 A HN 0.538 nan 8.150 nan 0.000 0.445 292 G N -0.459 108.435 108.800 0.157 0.000 2.422 292 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.218 292 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.218 292 G C 1.559 176.547 174.900 0.146 0.000 1.146 292 G CA 1.018 46.284 45.100 0.276 0.000 0.769 292 G HN 0.430 nan 8.290 nan 0.000 0.547 293 L N 0.465 121.730 121.223 0.071 0.000 2.072 293 L HA 0.076 4.415 4.340 -0.000 0.000 0.205 293 L C 3.348 180.211 176.870 -0.012 0.000 1.079 293 L CA 0.906 55.745 54.840 -0.002 0.000 0.752 293 L CB -0.284 41.798 42.059 0.039 0.000 0.906 293 L HN 0.281 nan 8.230 nan 0.000 0.436 294 A N 0.125 122.972 122.820 0.045 0.000 1.969 294 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 294 A C 2.359 180.051 177.584 0.179 0.000 1.169 294 A CA 1.542 53.645 52.037 0.111 0.000 0.635 294 A CB -1.092 17.959 19.000 0.085 0.000 0.810 294 A HN 0.435 nan 8.150 nan 0.000 0.445 295 G N -0.039 108.828 108.800 0.111 0.000 2.404 295 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.215 295 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.215 295 G C 1.476 176.212 174.900 -0.273 0.000 1.174 295 G CA 1.150 46.347 45.100 0.161 0.000 0.780 295 G HN 0.494 nan 8.290 nan 0.000 0.537 296 L N -0.343 120.315 121.223 -0.942 0.000 2.046 296 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 296 L C 2.440 179.070 176.870 -0.400 0.000 1.077 296 L CA 1.902 55.989 54.840 -1.255 0.000 0.747 296 L CB -0.787 40.464 42.059 -1.347 0.000 0.896 296 L HN 0.465 nan 8.230 nan 0.000 0.432 297 W N 0.362 121.470 121.300 -0.320 0.000 2.358 297 W HA -0.044 4.616 4.660 -0.000 0.000 0.303 297 W C 2.212 178.677 176.519 -0.089 0.000 1.208 297 W CA 2.307 59.557 57.345 -0.158 0.000 1.274 297 W CB -0.787 28.613 29.460 -0.099 0.000 1.138 297 W HN 0.220 nan 8.180 nan 0.000 0.515 298 G N 0.932 109.764 108.800 0.054 0.000 2.511 298 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.216 298 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.216 298 G C 1.532 176.332 174.900 -0.166 0.000 1.218 298 G CA 2.649 47.701 45.100 -0.080 0.000 0.788 298 G HN 0.603 nan 8.290 nan 0.000 0.560 299 V N -0.894 119.002 119.914 -0.029 0.000 2.469 299 V HA -0.156 3.964 4.120 -0.000 0.000 0.251 299 V C 2.589 178.640 176.094 -0.073 0.000 1.064 299 V CA 2.877 65.192 62.300 0.025 0.000 1.066 299 V CB -1.348 30.593 31.823 0.196 0.000 0.667 299 V HN 0.304 nan 8.190 nan 0.000 0.461 300 T N 0.788 115.241 114.554 -0.169 0.000 2.746 300 T HA -0.085 4.264 4.350 -0.000 0.000 0.267 300 T C 1.983 176.529 174.700 -0.256 0.000 1.039 300 T CA 2.228 64.213 62.100 -0.192 0.000 1.142 300 T CB -0.323 68.411 68.868 -0.223 0.000 0.866 300 T HN 0.374 nan 8.240 nan 0.000 0.444 301 M N 0.530 119.861 119.600 -0.447 0.000 2.156 301 M HA 0.153 4.633 4.480 -0.000 0.000 0.264 301 M C 2.306 178.456 176.300 -0.250 0.000 1.067 301 M CA 0.909 55.935 55.300 -0.457 0.000 1.131 301 M CB -1.383 30.694 32.600 -0.872 0.000 1.368 301 M HN 0.207 nan 8.290 nan 0.000 0.416 302 L N 0.824 121.933 121.223 -0.190 0.000 2.083 302 L HA -0.131 4.208 4.340 -0.000 0.000 0.209 302 L C 2.133 178.986 176.870 -0.029 0.000 1.083 302 L CA 1.888 56.688 54.840 -0.066 0.000 0.752 302 L CB -0.546 41.514 42.059 0.001 0.000 0.899 302 L HN 0.178 nan 8.230 nan 0.000 0.433 303 K N -1.005 119.371 120.400 -0.039 0.000 2.288 303 K HA -0.067 4.253 4.320 -0.000 0.000 0.201 303 K C 1.951 178.536 176.600 -0.025 0.000 1.048 303 K CA 0.464 56.742 56.287 -0.014 0.000 0.956 303 K CB -0.066 32.428 32.500 -0.010 0.000 0.746 303 K HN 0.200 nan 8.250 nan 0.000 0.461 304 R N 0.506 120.973 120.500 -0.055 0.000 2.310 304 R HA 0.030 4.370 4.340 -0.000 0.000 0.202 304 R C 0.488 176.771 176.300 -0.029 0.000 0.933 304 R CA 0.517 56.588 56.100 -0.049 0.000 1.054 304 R CB 0.332 30.585 30.300 -0.078 0.000 0.985 304 R HN 0.081 nan 8.270 nan 0.000 0.489 305 L N -0.686 120.527 121.223 -0.017 0.000 3.128 305 L HA 0.237 4.576 4.340 -0.000 0.000 0.277 305 L C 0.672 177.563 176.870 0.035 0.000 1.171 305 L CA 0.189 55.034 54.840 0.007 0.000 1.008 305 L CB 0.268 42.327 42.059 0.000 0.000 1.442 305 L HN 0.003 nan 8.230 nan 0.000 0.584 310 D N 0.378 120.799 120.400 0.035 0.000 2.732 310 D HA 0.374 5.014 4.640 -0.000 0.000 0.229 310 D C -2.427 173.904 176.300 0.052 0.000 1.152 310 D CA -1.413 52.601 54.000 0.023 0.000 0.854 310 D CB 1.926 42.726 40.800 0.001 0.000 1.590 310 D HN -0.143 nan 8.370 nan 0.000 0.468 311 P HA 0.075 nan 4.420 nan 0.000 0.266 311 P C -0.033 177.275 177.300 0.013 0.000 1.419 311 P CA -0.117 63.036 63.100 0.089 0.000 1.112 311 P CB -0.051 31.761 31.700 0.187 0.000 1.438 312 C N 1.711 121.023 119.300 0.020 0.000 2.754 312 C HA 0.036 4.496 4.460 -0.000 0.000 0.276 312 C C 2.059 177.062 174.990 0.021 0.000 1.264 312 C CA -0.155 58.858 59.018 -0.009 0.000 1.700 312 C CB -1.007 26.829 27.740 0.161 0.000 1.885 312 C HN 0.537 nan 8.230 nan 0.000 0.607 313 D N 1.428 121.858 120.400 0.050 0.000 2.106 313 D HA -0.149 4.491 4.640 -0.000 0.000 0.191 313 D C 2.063 178.421 176.300 0.097 0.000 0.997 313 D CA 1.492 55.556 54.000 0.107 0.000 0.834 313 D CB -0.062 40.810 40.800 0.120 0.000 0.956 313 D HN 0.320 nan 8.370 nan 0.000 0.448 314 V N 1.219 121.137 119.914 0.008 0.000 2.343 314 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 314 V C 2.295 178.457 176.094 0.112 0.000 1.051 314 V CA 1.369 63.653 62.300 -0.027 0.000 1.036 314 V CB -0.650 31.087 31.823 -0.144 0.000 0.654 314 V HN 0.040 nan 8.190 nan 0.000 0.451 315 F N 1.582 121.640 119.950 0.181 0.000 2.171 315 F HA 0.022 4.549 4.527 0.001 0.000 0.300 315 F C 2.421 178.309 175.800 0.145 0.000 1.090 315 F CA 0.990 59.082 58.000 0.153 0.000 1.293 315 F CB -1.699 37.381 39.000 0.134 0.000 1.013 315 F HN 0.189 nan 8.300 nan 0.000 0.486 316 G N 0.073 109.055 108.800 0.303 0.000 2.404 316 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.215 316 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.215 316 G C 1.883 176.923 174.900 0.233 0.000 1.174 316 G CA 1.174 46.410 45.100 0.227 0.000 0.780 316 G HN 0.243 nan 8.290 nan 0.000 0.537 317 V N 1.673 121.730 119.914 0.239 0.000 2.237 317 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 317 V C 3.366 179.587 176.094 0.213 0.000 1.046 317 V CA 2.116 64.562 62.300 0.244 0.000 1.007 317 V CB -1.035 30.922 31.823 0.222 0.000 0.638 317 V HN 0.465 nan 8.190 nan 0.000 0.445 318 A N 0.414 123.361 122.820 0.212 0.000 1.908 318 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 318 A C 2.370 180.093 177.584 0.233 0.000 1.181 318 A CA 2.233 54.406 52.037 0.226 0.000 0.627 318 A CB -1.262 17.897 19.000 0.264 0.000 0.818 318 A HN 0.554 nan 8.150 nan 0.000 0.445 319 G N -0.835 108.110 108.800 0.241 0.000 2.434 319 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.214 319 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.214 319 G C 1.529 176.549 174.900 0.200 0.000 1.202 319 G CA 1.159 46.387 45.100 0.215 0.000 0.788 319 G HN 0.305 nan 8.290 nan 0.000 0.539 320 V N 0.564 120.604 119.914 0.211 0.000 2.295 320 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 320 V C 3.042 179.250 176.094 0.190 0.000 1.049 320 V CA 1.825 64.255 62.300 0.217 0.000 1.024 320 V CB -0.553 31.429 31.823 0.266 0.000 0.648 320 V HN 0.506 nan 8.190 nan 0.000 0.447 321 C N 0.604 120.018 119.300 0.190 0.000 2.450 321 C HA 0.044 4.504 4.460 -0.000 0.000 0.279 321 C C 2.850 177.937 174.990 0.162 0.000 1.335 321 C CA 0.426 59.542 59.018 0.164 0.000 1.749 321 C CB -1.633 26.199 27.740 0.154 0.000 1.963 321 C HN 0.678 nan 8.230 nan 0.000 0.501 322 G N 0.790 109.698 108.800 0.181 0.000 2.402 322 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 322 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 322 G C 1.477 176.479 174.900 0.170 0.000 1.162 322 G CA 0.646 45.862 45.100 0.193 0.000 0.777 322 G HN 0.514 nan 8.290 nan 0.000 0.539 323 I N 0.265 120.928 120.570 0.156 0.000 2.179 323 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 323 I C 2.795 178.987 176.117 0.124 0.000 1.088 323 I CA 0.490 61.870 61.300 0.133 0.000 1.357 323 I CB -0.307 37.768 38.000 0.126 0.000 1.051 323 I HN 0.016 nan 8.210 nan 0.000 0.409 324 V N 1.102 121.091 119.914 0.125 0.000 2.287 324 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 324 V C 2.590 178.762 176.094 0.130 0.000 1.053 324 V CA 2.343 64.710 62.300 0.112 0.000 1.027 324 V CB -1.423 30.461 31.823 0.102 0.000 0.646 324 V HN 0.593 nan 8.190 nan 0.000 0.447 325 G N -1.471 107.415 108.800 0.142 0.000 2.418 325 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 325 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 325 G C 1.743 176.754 174.900 0.185 0.000 1.158 325 G CA 1.329 46.526 45.100 0.161 0.000 0.771 325 G HN 0.538 nan 8.290 nan 0.000 0.545 326 C N 0.159 119.564 119.300 0.175 0.000 2.440 326 C HA 0.104 4.564 4.460 -0.000 0.000 0.278 326 C C 2.844 177.923 174.990 0.147 0.000 1.295 326 C CA 0.361 59.480 59.018 0.169 0.000 1.738 326 C CB -0.899 26.926 27.740 0.142 0.000 1.987 326 C HN 0.469 nan 8.230 nan 0.000 0.492 327 I N 0.328 120.976 120.570 0.130 0.000 2.163 327 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 327 I C 2.500 178.705 176.117 0.148 0.000 1.081 327 I CA 1.626 62.992 61.300 0.111 0.000 1.353 327 I CB -0.386 37.667 38.000 0.089 0.000 1.054 327 I HN 0.281 nan 8.210 nan 0.000 0.407 328 M N -0.141 119.571 119.600 0.187 0.000 2.358 328 M HA -0.167 4.313 4.480 -0.000 0.000 0.264 328 M C 2.119 178.619 176.300 0.333 0.000 1.064 328 M CA 1.502 56.972 55.300 0.282 0.000 1.093 328 M CB -0.590 32.189 32.600 0.297 0.000 1.401 328 M HN 0.255 nan 8.290 nan 0.000 0.440 329 T N 0.019 114.733 114.554 0.266 0.000 2.821 329 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 329 T C 1.762 176.617 174.700 0.257 0.000 1.046 329 T CA 1.510 63.775 62.100 0.275 0.000 1.139 329 T CB -0.505 68.528 68.868 0.273 0.000 0.871 329 T HN 0.642 nan 8.240 nan 0.000 0.454 330 G N 0.217 109.151 108.800 0.224 0.000 2.679 330 G HA2 0.048 4.008 3.960 -0.000 0.000 0.212 330 G HA3 0.048 4.008 3.960 -0.000 0.000 0.212 330 G C 1.262 176.337 174.900 0.293 0.000 1.137 330 G CA 0.258 45.501 45.100 0.238 0.000 0.787 330 G HN 0.477 nan 8.290 nan 0.000 0.534 331 I N -1.503 119.184 120.570 0.195 0.000 3.132 331 I HA 0.223 4.393 4.170 -0.000 0.000 0.255 331 I C 1.591 177.609 176.117 -0.165 0.000 1.118 331 I CA 0.010 61.311 61.300 0.002 0.000 1.463 331 I CB 0.037 37.901 38.000 -0.226 0.000 1.356 331 I HN -0.020 nan 8.210 nan 0.000 0.463 332 F N 1.482 121.488 119.950 0.094 0.000 2.771 332 F HA 0.050 4.577 4.527 -0.000 0.000 0.299 332 F C 2.329 178.100 175.800 -0.048 0.000 1.177 332 F CA 0.694 58.712 58.000 0.029 0.000 1.450 332 F CB -0.555 38.472 39.000 0.045 0.000 1.114 332 F HN 0.010 nan 8.300 nan 0.000 0.587 333 A N 0.291 123.095 122.820 -0.027 0.000 2.119 333 A HA 0.340 4.660 4.320 -0.000 0.000 0.216 333 A C 1.620 178.833 177.584 -0.619 0.000 1.152 333 A CA 0.492 52.396 52.037 -0.222 0.000 0.708 333 A CB -0.888 17.976 19.000 -0.226 0.000 0.805 333 A HN 0.149 nan 8.150 nan 0.000 0.460 334 A N -0.127 122.228 122.820 -0.774 0.000 2.540 334 A HA 0.339 4.659 4.320 -0.000 0.000 0.239 334 A C 1.464 178.872 177.584 -0.294 0.000 1.061 334 A CA 0.519 52.142 52.037 -0.691 0.000 0.758 334 A CB 0.033 18.892 19.000 -0.234 0.000 0.991 334 A HN 0.334 nan 8.150 nan 0.000 0.502 335 S N 1.315 116.884 115.700 -0.218 0.000 2.370 335 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 335 S C 2.320 176.892 174.600 -0.046 0.000 1.033 335 S CA 1.955 60.099 58.200 -0.093 0.000 1.011 335 S CB -0.388 62.782 63.200 -0.050 0.000 0.852 335 S HN 1.159 nan 8.310 nan 0.000 0.457 336 S N 1.098 116.777 115.700 -0.035 0.000 2.465 336 S HA 0.031 4.501 4.470 -0.000 0.000 0.241 336 S C 1.208 175.808 174.600 -0.001 0.000 1.000 336 S CA 0.775 58.970 58.200 -0.009 0.000 0.964 336 S CB -0.425 62.776 63.200 0.001 0.000 0.763 336 S HN 0.476 nan 8.310 nan 0.000 0.512 337 L N 0.563 121.781 121.223 -0.009 0.000 2.910 337 L HA 0.450 4.790 4.340 -0.000 0.000 0.252 337 L C 1.536 178.466 176.870 0.100 0.000 1.195 337 L CA 0.165 55.037 54.840 0.053 0.000 1.003 337 L CB -0.016 42.049 42.059 0.010 0.000 1.328 337 L HN 0.506 nan 8.230 nan 0.000 0.540 338 G N -0.042 108.785 108.800 0.044 0.000 2.157 338 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.239 338 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.239 338 G C 0.535 175.454 174.900 0.032 0.000 0.982 338 G CA -0.154 44.971 45.100 0.042 0.000 0.650 338 G HN 0.507 nan 8.290 nan 0.000 0.527 339 G N -0.904 107.901 108.800 0.009 0.000 2.588 339 G HA2 0.593 4.553 3.960 -0.000 0.000 0.281 339 G HA3 0.593 4.553 3.960 -0.000 0.000 0.281 339 G C 1.439 176.323 174.900 -0.026 0.000 1.236 339 G CA 0.679 45.776 45.100 -0.005 0.000 0.969 339 G HN 1.306 nan 8.290 nan 0.000 0.504 340 V N -2.283 117.634 119.914 0.004 0.000 2.970 340 V HA 0.457 4.577 4.120 -0.000 0.000 0.260 340 V C 1.172 177.254 176.094 -0.019 0.000 1.100 340 V CA 0.805 63.118 62.300 0.022 0.000 1.122 340 V CB -1.398 30.484 31.823 0.098 0.000 0.721 340 V HN 2.211 nan 8.190 nan 0.000 0.483 341 G N -0.583 108.142 108.800 -0.126 0.000 2.784 341 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.686 341 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.686 341 G C -0.806 173.988 174.900 -0.178 0.000 1.156 341 G CA -0.495 44.490 45.100 -0.192 0.000 0.757 341 G HN 0.357 nan 8.290 nan 0.000 0.642 342 F N 1.222 121.179 119.950 0.012 0.000 2.435 342 F HA 0.610 5.137 4.527 -0.000 0.000 0.316 342 F C 1.497 177.298 175.800 0.002 0.000 1.220 342 F CA 0.557 58.553 58.000 -0.007 0.000 1.241 342 F CB 0.361 39.359 39.000 -0.003 0.000 1.234 342 F HN 0.940 nan 8.300 nan 0.000 0.569 343 A N 0.407 123.354 122.820 0.212 0.000 2.386 343 A HA 0.120 4.440 4.320 -0.000 0.000 0.246 343 A C 0.210 177.849 177.584 0.091 0.000 1.089 343 A CA -0.535 51.571 52.037 0.114 0.000 0.790 343 A CB -0.226 18.821 19.000 0.079 0.000 1.042 343 A HN 0.761 nan 8.150 nan 0.000 0.497 344 E N -0.477 119.754 120.200 0.052 0.000 2.502 344 E HA 0.263 4.613 4.350 -0.000 0.000 0.261 344 E C 1.220 177.821 176.600 0.002 0.000 0.974 344 E CA 1.209 57.627 56.400 0.030 0.000 0.936 344 E CB 0.104 29.814 29.700 0.016 0.000 0.926 344 E HN 1.295 nan 8.360 nan 0.000 0.459 345 G N 2.181 110.978 108.800 -0.006 0.000 2.168 345 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 345 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 345 G C 0.016 174.856 174.900 -0.101 0.000 0.997 345 G CA 0.269 45.340 45.100 -0.048 0.000 0.708 345 G HN 0.392 nan 8.290 nan 0.000 0.520 346 V N 1.739 121.612 119.914 -0.068 0.000 2.384 346 V HA 0.660 4.780 4.120 -0.000 0.000 0.287 346 V C 0.898 176.900 176.094 -0.153 0.000 1.020 346 V CA -0.063 62.154 62.300 -0.138 0.000 0.850 346 V CB 1.493 33.273 31.823 -0.072 0.000 0.987 346 V HN 0.637 nan 8.190 nan 0.000 0.436 347 T N 1.867 116.305 114.554 -0.193 0.000 2.874 347 T HA 0.344 4.694 4.350 -0.000 0.000 0.281 347 T C 1.198 175.592 174.700 -0.510 0.000 0.994 347 T CA -0.451 61.522 62.100 -0.212 0.000 1.015 347 T CB 1.173 69.979 68.868 -0.102 0.000 1.028 347 T HN 0.562 nan 8.240 nan 0.000 0.523 348 M N 1.002 120.318 119.600 -0.473 0.000 2.117 348 M HA 0.028 4.508 4.480 -0.000 0.000 0.262 348 M C 2.250 178.363 176.300 -0.311 0.000 1.065 348 M CA 2.241 57.203 55.300 -0.562 0.000 1.114 348 M CB -1.046 31.506 32.600 -0.080 0.000 1.361 348 M HN 0.934 nan 8.290 nan 0.000 0.408 349 G N -1.089 107.610 108.800 -0.168 0.000 2.446 349 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.217 349 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.217 349 G C 1.187 176.028 174.900 -0.099 0.000 1.168 349 G CA 1.586 46.626 45.100 -0.099 0.000 0.771 349 G HN 0.672 nan 8.290 nan 0.000 0.551 350 H N -0.279 118.680 119.070 -0.185 0.000 2.357 350 H HA -0.050 4.506 4.556 -0.000 0.000 0.301 350 H C 2.592 177.815 175.328 -0.175 0.000 1.082 350 H CA 2.001 57.956 56.048 -0.154 0.000 1.342 350 H CB -0.015 29.663 29.762 -0.141 0.000 1.389 350 H HN 0.354 nan 8.280 nan 0.000 0.511 351 Q N 0.489 120.169 119.800 -0.200 0.000 2.084 351 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 351 Q C 2.337 178.241 176.000 -0.160 0.000 0.978 351 Q CA 1.663 57.338 55.803 -0.213 0.000 0.844 351 Q CB -0.413 28.082 28.738 -0.404 0.000 0.898 351 Q HN 0.614 nan 8.270 nan 0.000 0.426 352 L N -0.441 120.692 121.223 -0.151 0.000 2.042 352 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 352 L C 2.171 178.982 176.870 -0.098 0.000 1.076 352 L CA 0.760 55.550 54.840 -0.082 0.000 0.749 352 L CB -0.511 41.509 42.059 -0.064 0.000 0.893 352 L HN 0.313 nan 8.230 nan 0.000 0.432 353 L N -0.738 120.392 121.223 -0.155 0.000 2.046 353 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 353 L C 2.334 179.096 176.870 -0.180 0.000 1.077 353 L CA 1.617 56.357 54.840 -0.167 0.000 0.747 353 L CB -0.377 41.553 42.059 -0.215 0.000 0.896 353 L HN -0.058 nan 8.230 nan 0.000 0.432 354 V N -0.626 119.148 119.914 -0.234 0.000 2.427 354 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 354 V C 2.632 178.673 176.094 -0.087 0.000 1.051 354 V CA 1.355 63.550 62.300 -0.176 0.000 1.048 354 V CB -0.577 31.151 31.823 -0.157 0.000 0.666 354 V HN 0.492 nan 8.190 nan 0.000 0.456 355 Q N -0.192 119.575 119.800 -0.056 0.000 2.050 355 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 355 Q C 2.298 178.295 176.000 -0.006 0.000 0.980 355 Q CA 1.624 57.424 55.803 -0.005 0.000 0.840 355 Q CB -0.555 28.202 28.738 0.031 0.000 0.898 355 Q HN 0.533 nan 8.270 nan 0.000 0.424 356 L N 0.610 121.820 121.223 -0.022 0.000 2.046 356 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 356 L C 2.284 179.142 176.870 -0.020 0.000 1.077 356 L CA 1.248 56.080 54.840 -0.013 0.000 0.747 356 L CB -0.375 41.671 42.059 -0.022 0.000 0.896 356 L HN 0.266 nan 8.230 nan 0.000 0.432 357 E N -0.476 119.694 120.200 -0.051 0.000 2.106 357 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 357 E C 2.298 178.873 176.600 -0.042 0.000 0.984 357 E CA 1.330 57.695 56.400 -0.059 0.000 0.806 357 E CB 0.013 29.646 29.700 -0.111 0.000 0.750 357 E HN 0.374 nan 8.360 nan 0.000 0.458 358 S N 0.704 116.378 115.700 -0.043 0.000 2.383 358 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 358 S C 2.018 176.612 174.600 -0.010 0.000 1.026 358 S CA 0.693 58.869 58.200 -0.039 0.000 0.981 358 S CB -0.084 63.092 63.200 -0.039 0.000 0.818 358 S HN 0.180 nan 8.310 nan 0.000 0.472 359 I N 1.804 122.382 120.570 0.014 0.000 2.202 359 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 359 I C 2.733 178.881 176.117 0.052 0.000 1.091 359 I CA 1.062 62.388 61.300 0.043 0.000 1.368 359 I CB -0.529 37.504 38.000 0.055 0.000 1.058 359 I HN 0.252 nan 8.210 nan 0.000 0.410 360 A N 1.093 123.937 122.820 0.039 0.000 1.883 360 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 360 A C 2.318 179.946 177.584 0.074 0.000 1.186 360 A CA 1.765 53.831 52.037 0.049 0.000 0.624 360 A CB -0.979 18.038 19.000 0.029 0.000 0.822 360 A HN 0.389 nan 8.150 nan 0.000 0.444 361 I N -0.501 120.110 120.570 0.068 0.000 2.226 361 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 361 I C 2.566 178.775 176.117 0.154 0.000 1.100 361 I CA 1.753 63.125 61.300 0.120 0.000 1.374 361 I CB -0.477 37.574 38.000 0.084 0.000 1.057 361 I HN 0.285 nan 8.210 nan 0.000 0.413 362 T N 0.952 115.555 114.554 0.082 0.000 2.777 362 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 362 T C 1.918 176.717 174.700 0.166 0.000 1.040 362 T CA 1.273 63.422 62.100 0.081 0.000 1.141 362 T CB -0.219 68.668 68.868 0.031 0.000 0.868 362 T HN 0.219 nan 8.240 nan 0.000 0.444 363 I N 0.785 121.442 120.570 0.145 0.000 2.142 363 I HA -0.168 4.002 4.170 -0.000 0.000 0.240 363 I C 2.482 178.701 176.117 0.170 0.000 1.078 363 I CA 1.057 62.449 61.300 0.152 0.000 1.343 363 I CB -0.418 37.651 38.000 0.115 0.000 1.046 363 I HN 0.085 nan 8.210 nan 0.000 0.405 364 V N 0.089 120.097 119.914 0.157 0.000 2.307 364 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 364 V C 2.116 178.323 176.094 0.188 0.000 1.045 364 V CA 1.734 64.117 62.300 0.137 0.000 1.024 364 V CB -0.779 31.103 31.823 0.098 0.000 0.651 364 V HN 0.608 nan 8.190 nan 0.000 0.449 365 W N 0.793 122.123 121.300 0.050 0.000 2.335 365 W HA -0.237 4.425 4.660 0.003 0.000 0.311 365 W C 2.901 179.466 176.519 0.078 0.000 1.213 365 W CA 2.449 59.818 57.345 0.040 0.000 1.274 365 W CB -0.643 28.828 29.460 0.018 0.000 1.148 365 W HN 0.366 nan 8.180 nan 0.000 0.498 366 S N 0.082 116.058 115.700 0.460 0.000 2.368 366 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 366 S C 2.059 176.932 174.600 0.455 0.000 1.030 366 S CA 1.996 60.489 58.200 0.488 0.000 0.999 366 S CB -0.867 62.631 63.200 0.496 0.000 0.844 366 S HN 0.286 nan 8.310 nan 0.000 0.459 367 G N 0.838 109.827 108.800 0.314 0.000 2.421 367 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 367 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 367 G C 1.494 176.552 174.900 0.263 0.000 1.171 367 G CA 1.086 46.344 45.100 0.264 0.000 0.775 367 G HN 0.458 nan 8.290 nan 0.000 0.543 368 V N 0.527 120.542 119.914 0.167 0.000 2.261 368 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 368 V C 3.052 179.254 176.094 0.180 0.000 1.047 368 V CA 1.603 63.971 62.300 0.114 0.000 1.015 368 V CB -0.556 31.247 31.823 -0.034 0.000 0.642 368 V HN 0.237 nan 8.190 nan 0.000 0.446 369 V N 0.292 120.289 119.914 0.138 0.000 2.332 369 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 369 V C 2.711 178.976 176.094 0.285 0.000 1.055 369 V CA 2.086 64.472 62.300 0.143 0.000 1.038 369 V CB -1.202 30.671 31.823 0.083 0.000 0.651 369 V HN 0.569 nan 8.190 nan 0.000 0.450 370 A N -0.466 122.632 122.820 0.462 0.000 1.883 370 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 370 A C 2.127 179.952 177.584 0.402 0.000 1.186 370 A CA 2.149 54.466 52.037 0.466 0.000 0.624 370 A CB -0.792 18.501 19.000 0.487 0.000 0.822 370 A HN 0.518 nan 8.150 nan 0.000 0.444 371 F N 0.593 120.731 119.950 0.314 0.000 2.095 371 F HA -0.199 4.327 4.527 -0.002 0.000 0.298 371 F C 1.998 177.932 175.800 0.224 0.000 1.104 371 F CA 1.909 60.090 58.000 0.303 0.000 1.232 371 F CB -0.229 38.889 39.000 0.197 0.000 0.987 371 F HN 0.193 nan 8.300 nan 0.000 0.475 372 I N -0.084 120.639 120.570 0.254 0.000 2.226 372 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 372 I C 2.733 178.868 176.117 0.030 0.000 1.100 372 I CA 1.412 62.774 61.300 0.104 0.000 1.374 372 I CB -1.269 36.787 38.000 0.093 0.000 1.057 372 I HN 0.306 nan 8.210 nan 0.000 0.413 373 G N 0.031 108.857 108.800 0.044 0.000 2.421 373 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 373 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 373 G C 1.436 176.408 174.900 0.120 0.000 1.171 373 G CA 0.652 45.760 45.100 0.013 0.000 0.775 373 G HN 0.249 nan 8.290 nan 0.000 0.543 374 Y N 1.018 121.461 120.300 0.237 0.000 2.181 374 Y HA 0.016 4.565 4.550 -0.001 0.000 0.288 374 Y C 2.848 178.691 175.900 -0.095 0.000 1.146 374 Y CA 1.084 59.205 58.100 0.034 0.000 1.164 374 Y CB -0.090 38.313 38.460 -0.095 0.000 0.982 374 Y HN 0.020 nan 8.280 nan 0.000 0.515 375 K N -0.200 120.163 120.400 -0.063 0.000 2.057 375 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 375 K C 2.113 178.686 176.600 -0.046 0.000 1.050 375 K CA 0.868 57.063 56.287 -0.153 0.000 0.935 375 K CB -0.763 31.538 32.500 -0.332 0.000 0.715 375 K HN 0.270 nan 8.250 nan 0.000 0.439 376 L N 1.100 122.316 121.223 -0.012 0.000 2.056 376 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 376 L C 2.170 179.055 176.870 0.024 0.000 1.078 376 L CA 1.801 56.645 54.840 0.006 0.000 0.749 376 L CB -0.712 41.351 42.059 0.006 0.000 0.901 376 L HN 0.102 nan 8.230 nan 0.000 0.433 377 A N -0.904 121.947 122.820 0.052 0.000 1.902 377 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 377 A C 2.121 179.731 177.584 0.043 0.000 1.181 377 A CA 1.841 53.918 52.037 0.066 0.000 0.623 377 A CB -0.960 18.109 19.000 0.114 0.000 0.818 377 A HN 0.523 nan 8.150 nan 0.000 0.443 378 D N -0.255 120.163 120.400 0.030 0.000 2.144 378 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 378 D C 1.794 178.095 176.300 0.002 0.000 0.984 378 D CA 1.056 55.060 54.000 0.007 0.000 0.834 378 D CB -0.172 40.618 40.800 -0.018 0.000 0.955 378 D HN 0.431 nan 8.370 nan 0.000 0.465 379 L N -0.470 120.753 121.223 0.001 0.000 2.179 379 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 379 L C 2.347 179.222 176.870 0.009 0.000 1.096 379 L CA 1.009 55.851 54.840 0.002 0.000 0.779 379 L CB -0.305 41.754 42.059 0.000 0.000 0.922 379 L HN 0.035 nan 8.230 nan 0.000 0.443 380 T N -0.875 113.688 114.554 0.015 0.000 2.755 380 T HA -0.082 4.268 4.350 -0.000 0.000 0.251 380 T C 1.546 176.260 174.700 0.023 0.000 1.044 380 T CA 1.622 63.734 62.100 0.019 0.000 1.154 380 T CB -0.064 68.819 68.868 0.025 0.000 0.866 380 T HN 0.270 nan 8.240 nan 0.000 0.416 381 V N -2.074 117.857 119.914 0.029 0.000 3.556 381 V HA 0.682 4.801 4.120 -0.000 0.000 0.287 381 V C 0.723 176.833 176.094 0.026 0.000 1.422 381 V CA 0.191 62.510 62.300 0.032 0.000 1.038 381 V CB -0.436 31.414 31.823 0.046 0.000 0.850 381 V HN 0.703 nan 8.190 nan 0.000 0.437 382 G N 0.469 109.282 108.800 0.020 0.000 3.322 382 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.686 382 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.686 382 G C -0.207 174.701 174.900 0.013 0.000 1.015 382 G CA 0.013 45.119 45.100 0.010 0.000 0.826 382 G HN 0.299 nan 8.290 nan 0.000 0.538 383 L N 1.773 122.998 121.223 0.002 0.000 1.973 383 L HA 0.076 4.416 4.340 -0.000 0.000 0.208 383 L C 2.250 179.108 176.870 -0.020 0.000 1.073 383 L CA 1.208 56.047 54.840 -0.002 0.000 0.746 383 L CB -0.217 41.827 42.059 -0.025 0.000 0.891 383 L HN 0.680 nan 8.230 nan 0.000 0.433 384 R N 0.204 120.681 120.500 -0.038 0.000 2.538 384 R HA 0.020 4.360 4.340 -0.000 0.000 0.282 384 R C -0.182 176.104 176.300 -0.022 0.000 1.009 384 R CA -0.272 55.802 56.100 -0.043 0.000 1.063 384 R CB 0.477 30.747 30.300 -0.051 0.000 0.945 384 R HN 0.038 nan 8.270 nan 0.000 0.414 385 V N 6.465 126.366 119.914 -0.022 0.000 2.557 385 V HA 0.031 4.151 4.120 -0.000 0.000 0.301 385 V C -1.255 174.835 176.094 -0.007 0.000 1.026 385 V CA -1.173 61.125 62.300 -0.005 0.000 1.137 385 V CB 0.213 32.032 31.823 -0.007 0.000 0.917 385 V HN 0.741 nan 8.190 nan 0.000 0.484 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 386 P CB 0.000 31.703 31.700 0.005 0.000 0.726