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 3c1j_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF MMICTALVLF MTIPGIALFY GGLIRGKNVL SMLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLAFGEGN NFFGNINWLM LKNIELTAVM GSIYQYIHVA DATA SEQUENCE FQGSAACITV GLIVGALAER IRFSAVLIFV VVWLTLSYIP IAHMVWGGGL DATA SEQUENCE LASHGALDFA GGTVVHINAA IAGLVGAYLI XXXXXXXXXX XXPHNLPMVF DATA SEQUENCE TGTAILYIGW FGANAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGKPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTMX DATA SEQUENCE XXXXXXXDPC DVFGVHGVCG 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 0.000 177.556 177.584 -0.046 0.000 1.274 3 A CA 0.000 52.019 52.037 -0.029 0.000 0.836 3 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 4 V N 2.017 121.894 119.914 -0.063 0.000 2.483 4 V HA 0.735 4.854 4.120 -0.001 0.000 0.295 4 V C 0.974 176.972 176.094 -0.160 0.000 1.035 4 V CA -0.025 62.222 62.300 -0.088 0.000 0.896 4 V CB 1.779 33.570 31.823 -0.054 0.000 0.986 4 V HN 1.658 nan 8.190 nan 0.000 0.447 5 A N 3.148 125.792 122.820 -0.293 0.000 2.477 5 A HA 0.259 4.578 4.320 -0.001 0.000 0.246 5 A C 0.144 177.579 177.584 -0.248 0.000 1.078 5 A CA -0.077 51.701 52.037 -0.432 0.000 0.770 5 A CB 0.065 18.412 19.000 -1.087 0.000 1.011 5 A HN 0.860 nan 8.150 nan 0.000 0.494 6 D N 2.149 122.439 120.400 -0.182 0.000 2.313 6 D HA 0.153 4.792 4.640 -0.001 0.000 0.239 6 D C 0.690 176.944 176.300 -0.076 0.000 1.142 6 D CA -0.286 53.652 54.000 -0.103 0.000 0.847 6 D CB 0.784 41.536 40.800 -0.079 0.000 1.082 6 D HN 0.552 nan 8.370 nan 0.000 0.480 7 K N 2.409 122.786 120.400 -0.039 0.000 2.209 7 K HA -0.127 4.192 4.320 -0.001 0.000 0.204 7 K C 1.732 178.341 176.600 0.014 0.000 1.048 7 K CA 0.959 57.249 56.287 0.004 0.000 0.940 7 K CB 0.133 32.646 32.500 0.022 0.000 0.729 7 K HN 0.441 nan 8.250 nan 0.000 0.451 8 A N 1.935 124.754 122.820 -0.002 0.000 1.930 8 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 8 A C 1.586 179.195 177.584 0.041 0.000 1.175 8 A CA 1.674 53.716 52.037 0.007 0.000 0.627 8 A CB -0.229 18.753 19.000 -0.029 0.000 0.815 8 A HN 0.154 nan 8.150 nan 0.000 0.443 9 D N 0.189 120.600 120.400 0.018 0.000 2.123 9 D HA -0.113 4.527 4.640 -0.001 0.000 0.200 9 D C 1.600 177.946 176.300 0.076 0.000 0.976 9 D CA 1.010 55.043 54.000 0.056 0.000 0.831 9 D CB -0.444 40.352 40.800 -0.006 0.000 0.974 9 D HN 0.318 nan 8.370 nan 0.000 0.469 10 N N 1.205 119.925 118.700 0.033 0.000 2.061 10 N HA -0.170 4.570 4.740 -0.001 0.000 0.193 10 N C 1.776 177.330 175.510 0.074 0.000 1.030 10 N CA 1.572 54.657 53.050 0.058 0.000 0.856 10 N CB -0.485 38.055 38.487 0.087 0.000 1.023 10 N HN 0.152 nan 8.380 nan 0.000 0.424 11 A N 0.578 123.448 122.820 0.084 0.000 1.858 11 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 11 A C 2.180 179.833 177.584 0.114 0.000 1.190 11 A CA 1.156 53.245 52.037 0.085 0.000 0.617 11 A CB -1.066 17.982 19.000 0.080 0.000 0.827 11 A HN 0.282 nan 8.150 nan 0.000 0.443 12 F N 0.114 120.054 119.950 -0.016 0.000 2.095 12 F HA -0.197 4.330 4.527 -0.001 0.000 0.298 12 F C 2.223 178.008 175.800 -0.025 0.000 1.104 12 F CA 1.984 59.974 58.000 -0.016 0.000 1.232 12 F CB -0.185 38.798 39.000 -0.029 0.000 0.987 12 F HN 0.096 nan 8.300 nan 0.000 0.475 13 M N -0.612 118.936 119.600 -0.087 0.000 2.254 13 M HA -0.156 4.324 4.480 -0.001 0.000 0.265 13 M C 2.247 178.467 176.300 -0.133 0.000 1.066 13 M CA 1.363 56.521 55.300 -0.238 0.000 1.123 13 M CB -1.156 31.344 32.600 -0.167 0.000 1.388 13 M HN 0.286 nan 8.290 nan 0.000 0.425 14 M N -0.365 119.209 119.600 -0.044 0.000 2.132 14 M HA -0.166 4.313 4.480 -0.001 0.000 0.263 14 M C 1.911 178.199 176.300 -0.020 0.000 1.065 14 M CA 1.108 56.407 55.300 -0.002 0.000 1.122 14 M CB -0.247 32.366 32.600 0.022 0.000 1.365 14 M HN 0.112 nan 8.290 nan 0.000 0.411 15 I N -0.310 120.228 120.570 -0.052 0.000 2.252 15 I HA -0.258 3.911 4.170 -0.001 0.000 0.245 15 I C 2.489 178.561 176.117 -0.075 0.000 1.102 15 I CA 1.224 62.492 61.300 -0.054 0.000 1.385 15 I CB -1.560 36.419 38.000 -0.034 0.000 1.064 15 I HN 0.392 nan 8.210 nan 0.000 0.414 16 C N 0.759 119.949 119.300 -0.183 0.000 2.425 16 C HA -0.148 4.312 4.460 -0.001 0.000 0.277 16 C C 3.003 178.055 174.990 0.104 0.000 1.280 16 C CA 1.422 60.370 59.018 -0.117 0.000 1.744 16 C CB -1.132 26.398 27.740 -0.350 0.000 1.989 16 C HN 0.529 nan 8.230 nan 0.000 0.491 17 T N 1.028 115.665 114.554 0.139 0.000 2.777 17 T HA -0.090 4.259 4.350 -0.001 0.000 0.266 17 T C 2.134 176.861 174.700 0.046 0.000 1.040 17 T CA 1.527 63.715 62.100 0.147 0.000 1.141 17 T CB -0.383 68.564 68.868 0.133 0.000 0.868 17 T HN 0.637 nan 8.240 nan 0.000 0.444 18 A N 1.347 124.185 122.820 0.030 0.000 1.902 18 A HA 0.004 4.323 4.320 -0.001 0.000 0.217 18 A C 2.298 179.907 177.584 0.041 0.000 1.181 18 A CA 1.193 53.239 52.037 0.014 0.000 0.623 18 A CB -0.899 18.088 19.000 -0.023 0.000 0.818 18 A HN 0.467 nan 8.150 nan 0.000 0.443 19 L N -0.489 120.768 121.223 0.057 0.000 2.042 19 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 19 L C 2.498 179.441 176.870 0.122 0.000 1.076 19 L CA 1.226 56.147 54.840 0.135 0.000 0.749 19 L CB -0.501 41.633 42.059 0.125 0.000 0.893 19 L HN 0.272 nan 8.230 nan 0.000 0.432 20 V N -0.261 119.668 119.914 0.025 0.000 2.453 20 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 20 V C 2.343 178.401 176.094 -0.060 0.000 1.048 20 V CA 1.333 63.581 62.300 -0.085 0.000 1.049 20 V CB -0.372 31.315 31.823 -0.225 0.000 0.672 20 V HN 0.331 nan 8.190 nan 0.000 0.457 21 L N -1.074 120.151 121.223 0.004 0.000 2.042 21 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 21 L C 2.426 179.324 176.870 0.046 0.000 1.076 21 L CA 1.637 56.507 54.840 0.049 0.000 0.749 21 L CB -0.694 41.427 42.059 0.103 0.000 0.893 21 L HN 0.310 nan 8.230 nan 0.000 0.432 22 F N 0.716 120.612 119.950 -0.090 0.000 2.161 22 F HA -0.258 4.269 4.527 -0.001 0.000 0.300 22 F C 2.421 178.161 175.800 -0.101 0.000 1.089 22 F CA 1.385 59.333 58.000 -0.087 0.000 1.282 22 F CB -0.375 38.598 39.000 -0.045 0.000 1.010 22 F HN 0.007 nan 8.300 nan 0.000 0.485 23 M N -0.949 118.591 119.600 -0.101 0.000 2.149 23 M HA -0.242 4.237 4.480 -0.001 0.000 0.261 23 M C 1.886 178.057 176.300 -0.215 0.000 1.064 23 M CA 2.325 57.492 55.300 -0.221 0.000 1.102 23 M CB -0.808 31.647 32.600 -0.242 0.000 1.369 23 M HN 0.050 nan 8.290 nan 0.000 0.408 24 T N 0.065 114.511 114.554 -0.180 0.000 2.901 24 T HA 0.140 4.490 4.350 -0.001 0.000 0.252 24 T C 0.883 175.438 174.700 -0.242 0.000 1.035 24 T CA 0.656 62.645 62.100 -0.184 0.000 1.142 24 T CB 0.312 69.093 68.868 -0.145 0.000 0.869 24 T HN 0.069 nan 8.240 nan 0.000 0.442 25 I N 3.147 123.541 120.570 -0.293 0.000 2.428 25 I HA 0.276 4.446 4.170 -0.001 0.000 0.279 25 I C -2.183 173.895 176.117 -0.064 0.000 1.040 25 I CA -2.437 58.696 61.300 -0.279 0.000 1.171 25 I CB 1.367 39.030 38.000 -0.561 0.000 1.312 25 I HN 0.052 nan 8.210 nan 0.000 0.470 26 P HA 0.180 nan 4.420 nan 0.000 0.282 26 P C 1.312 178.524 177.300 -0.147 0.000 1.327 26 P CA 0.147 63.183 63.100 -0.106 0.000 0.949 26 P CB 0.946 32.621 31.700 -0.042 0.000 1.445 27 G N 1.883 110.530 108.800 -0.255 0.000 2.672 27 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.218 27 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.218 27 G C 1.312 176.142 174.900 -0.116 0.000 1.238 27 G CA 1.017 45.966 45.100 -0.252 0.000 0.791 27 G HN 0.269 nan 8.290 nan 0.000 0.606 28 I N 1.682 122.190 120.570 -0.103 0.000 2.394 28 I HA 0.085 4.255 4.170 -0.001 0.000 0.251 28 I C 2.977 179.165 176.117 0.120 0.000 1.136 28 I CA 1.138 62.416 61.300 -0.036 0.000 1.425 28 I CB -0.364 37.620 38.000 -0.027 0.000 1.079 28 I HN 0.217 nan 8.210 nan 0.000 0.425 29 A N 0.089 122.953 122.820 0.074 0.000 1.902 29 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 29 A C 2.276 179.924 177.584 0.107 0.000 1.181 29 A CA 1.689 53.789 52.037 0.105 0.000 0.623 29 A CB -0.869 18.146 19.000 0.026 0.000 0.818 29 A HN 0.464 nan 8.150 nan 0.000 0.443 30 L N -2.298 118.957 121.223 0.054 0.000 2.109 30 L HA -0.079 4.261 4.340 -0.001 0.000 0.207 30 L C 2.438 179.333 176.870 0.042 0.000 1.086 30 L CA 1.199 56.060 54.840 0.035 0.000 0.760 30 L CB -0.516 41.539 42.059 -0.006 0.000 0.910 30 L HN 0.505 nan 8.230 nan 0.000 0.437 31 F N 0.217 120.103 119.950 -0.107 0.000 2.069 31 F HA -0.318 4.208 4.527 -0.001 0.000 0.298 31 F C 2.376 178.087 175.800 -0.147 0.000 1.113 31 F CA 1.783 59.679 58.000 -0.174 0.000 1.214 31 F CB -0.329 38.503 39.000 -0.280 0.000 0.978 31 F HN -0.069 nan 8.300 nan 0.000 0.474 32 Y N 0.495 120.914 120.300 0.200 0.000 2.293 32 Y HA 0.002 4.552 4.550 -0.000 0.000 0.291 32 Y C 2.669 178.570 175.900 0.001 0.000 1.137 32 Y CA 0.999 59.148 58.100 0.083 0.000 1.202 32 Y CB -1.359 37.177 38.460 0.126 0.000 0.990 32 Y HN 0.155 nan 8.280 nan 0.000 0.537 33 G N -0.521 108.370 108.800 0.152 0.000 2.442 33 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.219 33 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.219 33 G C 2.013 176.932 174.900 0.031 0.000 1.141 33 G CA 0.990 46.153 45.100 0.105 0.000 0.763 33 G HN 0.516 nan 8.290 nan 0.000 0.554 34 G N 0.060 108.782 108.800 -0.129 0.000 2.511 34 G HA2 0.094 4.053 3.960 -0.001 0.000 0.217 34 G HA3 0.094 4.053 3.960 -0.001 0.000 0.217 34 G C 1.686 176.385 174.900 -0.334 0.000 1.133 34 G CA 0.277 45.166 45.100 -0.353 0.000 0.792 34 G HN 0.425 nan 8.290 nan 0.000 0.539 35 L N 0.530 121.663 121.223 -0.151 0.000 2.145 35 L HA 0.295 4.635 4.340 -0.001 0.000 0.201 35 L C 1.708 178.625 176.870 0.079 0.000 1.075 35 L CA 0.002 54.800 54.840 -0.069 0.000 0.773 35 L CB -0.350 41.660 42.059 -0.083 0.000 0.936 35 L HN 0.275 nan 8.230 nan 0.000 0.451 36 I N -1.386 119.268 120.570 0.140 0.000 3.138 36 I HA 0.114 4.283 4.170 -0.001 0.000 0.288 36 I C 0.772 176.989 176.117 0.166 0.000 1.148 36 I CA -0.582 60.798 61.300 0.134 0.000 1.315 36 I CB 0.367 38.425 38.000 0.097 0.000 1.426 36 I HN 0.038 nan 8.210 nan 0.000 0.615 37 R N 2.199 122.730 120.500 0.052 0.000 2.623 37 R HA 0.090 4.430 4.340 -0.001 0.000 0.271 37 R C 1.384 177.576 176.300 -0.180 0.000 1.043 37 R CA 0.946 57.021 56.100 -0.042 0.000 1.083 37 R CB 0.827 31.102 30.300 -0.042 0.000 0.974 37 R HN 0.958 nan 8.270 nan 0.000 0.436 38 G N 3.900 112.427 108.800 -0.455 0.000 2.469 38 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.219 38 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.219 38 G C 1.018 175.784 174.900 -0.224 0.000 1.150 38 G CA 1.227 45.979 45.100 -0.580 0.000 0.763 38 G HN 0.797 nan 8.290 nan 0.000 0.561 39 K N -0.050 120.262 120.400 -0.146 0.000 2.442 39 K HA 0.017 4.337 4.320 -0.001 0.000 0.198 39 K C 1.366 177.936 176.600 -0.051 0.000 1.044 39 K CA 1.248 57.488 56.287 -0.078 0.000 0.948 39 K CB -0.064 32.401 32.500 -0.059 0.000 0.762 39 K HN 0.173 nan 8.250 nan 0.000 0.472 40 N N 0.602 119.271 118.700 -0.051 0.000 2.220 40 N HA 0.027 4.767 4.740 -0.001 0.000 0.195 40 N C 1.465 176.970 175.510 -0.008 0.000 1.123 40 N CA 0.187 53.221 53.050 -0.027 0.000 0.874 40 N CB 0.584 39.054 38.487 -0.028 0.000 0.995 40 N HN -0.014 nan 8.380 nan 0.000 0.498 41 V N 1.766 121.680 119.914 0.001 0.000 2.255 41 V HA -0.196 3.923 4.120 -0.001 0.000 0.247 41 V C 2.388 178.503 176.094 0.035 0.000 1.051 41 V CA 1.415 63.741 62.300 0.043 0.000 1.018 41 V CB -0.457 31.414 31.823 0.080 0.000 0.641 41 V HN 0.243 nan 8.190 nan 0.000 0.445 42 L N -0.248 120.991 121.223 0.027 0.000 2.046 42 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 42 L C 2.725 179.618 176.870 0.038 0.000 1.077 42 L CA 1.861 56.722 54.840 0.035 0.000 0.747 42 L CB -0.774 41.305 42.059 0.033 0.000 0.896 42 L HN 0.398 nan 8.230 nan 0.000 0.432 43 S N -0.161 115.555 115.700 0.027 0.000 2.356 43 S HA -0.235 4.234 4.470 -0.001 0.000 0.223 43 S C 2.076 176.654 174.600 -0.037 0.000 1.032 43 S CA 1.374 59.587 58.200 0.021 0.000 1.005 43 S CB -0.180 63.026 63.200 0.011 0.000 0.867 43 S HN 0.309 nan 8.310 nan 0.000 0.449 44 M N 1.072 120.646 119.600 -0.042 0.000 2.080 44 M HA -0.074 4.405 4.480 -0.001 0.000 0.260 44 M C 1.938 178.215 176.300 -0.038 0.000 1.068 44 M CA 1.671 56.931 55.300 -0.066 0.000 1.109 44 M CB -1.059 31.520 32.600 -0.035 0.000 1.342 44 M HN 0.419 nan 8.290 nan 0.000 0.405 45 L N -0.577 120.651 121.223 0.007 0.000 2.083 45 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 45 L C 2.278 179.168 176.870 0.032 0.000 1.083 45 L CA 1.593 56.448 54.840 0.025 0.000 0.752 45 L CB -1.116 40.966 42.059 0.039 0.000 0.899 45 L HN 0.319 nan 8.230 nan 0.000 0.433 46 T N -1.049 113.534 114.554 0.049 0.000 2.737 46 T HA -0.211 4.139 4.350 -0.001 0.000 0.265 46 T C 1.902 176.656 174.700 0.089 0.000 1.038 46 T CA 1.193 63.365 62.100 0.119 0.000 1.144 46 T CB -0.182 68.812 68.868 0.211 0.000 0.866 46 T HN 0.360 nan 8.240 nan 0.000 0.434 47 Q N 0.250 119.964 119.800 -0.144 0.000 2.096 47 Q HA -0.084 4.255 4.340 -0.001 0.000 0.204 47 Q C 2.586 178.517 176.000 -0.115 0.000 0.982 47 Q CA 1.163 56.738 55.803 -0.380 0.000 0.850 47 Q CB -0.424 27.971 28.738 -0.573 0.000 0.901 47 Q HN 0.341 nan 8.270 nan 0.000 0.422 48 V N 0.464 120.347 119.914 -0.052 0.000 2.343 48 V HA -0.246 3.874 4.120 -0.001 0.000 0.247 48 V C 2.184 178.328 176.094 0.083 0.000 1.051 48 V CA 2.142 64.449 62.300 0.012 0.000 1.036 48 V CB -0.738 31.091 31.823 0.010 0.000 0.654 48 V HN 0.433 nan 8.190 nan 0.000 0.451 49 T N -0.147 114.457 114.554 0.083 0.000 2.708 49 T HA -0.148 4.202 4.350 -0.001 0.000 0.266 49 T C 1.924 176.759 174.700 0.225 0.000 1.037 49 T CA 1.653 63.834 62.100 0.134 0.000 1.146 49 T CB -0.190 68.739 68.868 0.101 0.000 0.865 49 T HN 0.283 nan 8.240 nan 0.000 0.435 50 V N 2.206 122.248 119.914 0.214 0.000 2.379 50 V HA -0.148 3.972 4.120 -0.001 0.000 0.245 50 V C 3.010 179.225 176.094 0.202 0.000 1.044 50 V CA 2.070 64.516 62.300 0.243 0.000 1.036 50 V CB -1.208 30.853 31.823 0.396 0.000 0.664 50 V HN 0.725 nan 8.190 nan 0.000 0.453 51 T N -1.843 112.814 114.554 0.171 0.000 2.904 51 T HA -0.182 4.168 4.350 -0.001 0.000 0.267 51 T C 1.812 176.578 174.700 0.110 0.000 1.059 51 T CA 1.321 63.495 62.100 0.124 0.000 1.137 51 T CB -0.582 68.336 68.868 0.084 0.000 0.879 51 T HN 0.374 nan 8.240 nan 0.000 0.467 52 F N 2.994 122.949 119.950 0.009 0.000 2.095 52 F HA 0.036 4.562 4.527 -0.001 0.000 0.298 52 F C 2.589 178.386 175.800 -0.004 0.000 1.104 52 F CA 1.176 59.167 58.000 -0.015 0.000 1.232 52 F CB -0.897 38.094 39.000 -0.016 0.000 0.987 52 F HN 0.263 nan 8.300 nan 0.000 0.475 53 A N 0.502 123.333 122.820 0.018 0.000 1.877 53 A HA -0.175 4.145 4.320 -0.001 0.000 0.216 53 A C 2.135 179.650 177.584 -0.114 0.000 1.186 53 A CA 1.758 53.747 52.037 -0.080 0.000 0.620 53 A CB -1.367 17.681 19.000 0.080 0.000 0.822 53 A HN 0.541 nan 8.150 nan 0.000 0.443 54 L N 0.053 121.258 121.223 -0.030 0.000 2.012 54 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 54 L C 2.377 179.212 176.870 -0.059 0.000 1.073 54 L CA 2.093 56.925 54.840 -0.013 0.000 0.748 54 L CB -0.623 41.464 42.059 0.046 0.000 0.891 54 L HN 0.154 nan 8.230 nan 0.000 0.431 55 V N -0.972 118.880 119.914 -0.103 0.000 2.287 55 V HA -0.378 3.742 4.120 -0.001 0.000 0.248 55 V C 2.679 178.680 176.094 -0.155 0.000 1.053 55 V CA 1.950 64.173 62.300 -0.127 0.000 1.027 55 V CB -0.941 30.776 31.823 -0.177 0.000 0.646 55 V HN 0.675 nan 8.190 nan 0.000 0.447 56 C N -0.200 118.916 119.300 -0.306 0.000 2.401 56 C HA -0.184 4.276 4.460 -0.001 0.000 0.276 56 C C 2.592 177.533 174.990 -0.081 0.000 1.233 56 C CA 0.789 59.650 59.018 -0.262 0.000 1.753 56 C CB -1.025 26.463 27.740 -0.420 0.000 2.029 56 C HN 0.481 nan 8.230 nan 0.000 0.478 57 I N 0.445 120.965 120.570 -0.084 0.000 2.233 57 I HA -0.098 4.071 4.170 -0.001 0.000 0.243 57 I C 2.409 178.490 176.117 -0.059 0.000 1.093 57 I CA 1.581 62.855 61.300 -0.044 0.000 1.380 57 I CB -1.312 36.672 38.000 -0.026 0.000 1.067 57 I HN 0.357 nan 8.210 nan 0.000 0.413 58 L N -0.640 120.529 121.223 -0.090 0.000 2.127 58 L HA -0.253 4.087 4.340 -0.001 0.000 0.211 58 L C 2.606 179.236 176.870 -0.401 0.000 1.089 58 L CA 1.414 56.087 54.840 -0.278 0.000 0.757 58 L CB -0.568 41.370 42.059 -0.203 0.000 0.899 58 L HN 0.465 nan 8.230 nan 0.000 0.434 59 W N 0.351 121.466 121.300 -0.308 0.000 2.358 59 W HA -0.180 4.479 4.660 -0.001 0.000 0.303 59 W C 2.155 178.601 176.519 -0.121 0.000 1.208 59 W CA 1.587 58.815 57.345 -0.196 0.000 1.274 59 W CB 0.096 29.478 29.460 -0.131 0.000 1.138 59 W HN -0.059 nan 8.180 nan 0.000 0.515 60 V N 0.325 120.218 119.914 -0.035 0.000 2.379 60 V HA -0.276 3.844 4.120 -0.001 0.000 0.245 60 V C 2.203 178.243 176.094 -0.090 0.000 1.044 60 V CA 1.504 63.752 62.300 -0.086 0.000 1.036 60 V CB -1.043 30.758 31.823 -0.037 0.000 0.664 60 V HN -0.019 nan 8.190 nan 0.000 0.453 61 V N 0.336 120.202 119.914 -0.080 0.000 2.255 61 V HA -0.270 3.850 4.120 -0.001 0.000 0.247 61 V C 1.957 178.102 176.094 0.085 0.000 1.051 61 V CA 3.045 65.355 62.300 0.017 0.000 1.018 61 V CB -0.631 31.247 31.823 0.092 0.000 0.641 61 V HN 0.902 nan 8.190 nan 0.000 0.445 62 Y N -2.707 117.573 120.300 -0.034 0.000 2.580 62 Y HA 0.529 5.079 4.550 -0.000 0.000 0.290 62 Y C 1.839 177.661 175.900 -0.130 0.000 0.981 62 Y CA 0.378 58.447 58.100 -0.052 0.000 1.120 62 Y CB -0.555 37.881 38.460 -0.040 0.000 1.415 62 Y HN -0.027 nan 8.280 nan 0.000 0.588 63 G N 1.228 109.679 108.800 -0.582 0.000 2.459 63 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.217 63 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.217 63 G C 1.415 175.778 174.900 -0.895 0.000 1.183 63 G CA 1.555 46.317 45.100 -0.564 0.000 0.776 63 G HN 0.523 nan 8.290 nan 0.000 0.552 64 Y N 1.515 120.972 120.300 -1.405 0.000 2.181 64 Y HA -0.120 4.430 4.550 -0.001 0.000 0.288 64 Y C 3.149 178.992 175.900 -0.094 0.000 1.146 64 Y CA 1.843 59.365 58.100 -0.964 0.000 1.164 64 Y CB -0.492 37.530 38.460 -0.729 0.000 0.982 64 Y HN 0.242 nan 8.280 nan 0.000 0.515 65 S N -0.058 115.663 115.700 0.035 0.000 2.359 65 S HA -0.201 4.269 4.470 -0.001 0.000 0.224 65 S C 2.031 176.588 174.600 -0.071 0.000 1.035 65 S CA 1.775 60.053 58.200 0.130 0.000 1.018 65 S CB -0.624 62.684 63.200 0.179 0.000 0.876 65 S HN 0.551 nan 8.310 nan 0.000 0.448 66 L N 0.404 121.586 121.223 -0.068 0.000 2.217 66 L HA 0.038 4.378 4.340 -0.001 0.000 0.211 66 L C 2.656 179.443 176.870 -0.138 0.000 1.107 66 L CA 0.978 55.777 54.840 -0.069 0.000 0.783 66 L CB -0.436 41.628 42.059 0.009 0.000 0.919 66 L HN 0.432 nan 8.230 nan 0.000 0.442 67 A N -1.123 121.589 122.820 -0.180 0.000 1.943 67 A HA 0.015 4.334 4.320 -0.001 0.000 0.213 67 A C 1.547 178.875 177.584 -0.428 0.000 1.181 67 A CA 0.840 52.709 52.037 -0.280 0.000 0.653 67 A CB -0.129 18.736 19.000 -0.225 0.000 0.833 67 A HN 0.345 nan 8.150 nan 0.000 0.451 68 F N -0.473 119.437 119.950 -0.068 0.000 2.728 68 F HA 0.318 4.845 4.527 -0.000 0.000 0.314 68 F C 1.546 177.380 175.800 0.057 0.000 1.094 68 F CA -0.396 57.596 58.000 -0.012 0.000 1.217 68 F CB 0.045 38.922 39.000 -0.204 0.000 1.056 68 F HN 0.194 nan 8.300 nan 0.000 0.577 69 G N 0.684 109.465 108.800 -0.032 0.000 2.594 69 G HA2 0.138 4.097 3.960 -0.001 0.000 0.243 69 G HA3 0.138 4.097 3.960 -0.001 0.000 0.243 69 G C -0.478 174.328 174.900 -0.158 0.000 1.229 69 G CA -0.360 44.471 45.100 -0.449 0.000 0.843 69 G HN 0.245 nan 8.290 nan 0.000 0.578 70 E N 0.284 120.357 120.200 -0.212 0.000 2.257 70 E HA 0.473 4.823 4.350 -0.001 0.000 0.278 70 E C 0.770 177.304 176.600 -0.110 0.000 1.049 70 E CA 0.182 56.540 56.400 -0.071 0.000 0.876 70 E CB 0.399 30.061 29.700 -0.062 0.000 1.035 70 E HN 0.477 nan 8.360 nan 0.000 0.419 71 G N 4.116 112.873 108.800 -0.072 0.000 3.193 71 G HA2 0.123 4.083 3.960 -0.001 0.000 0.186 71 G HA3 0.123 4.083 3.960 -0.001 0.000 0.186 71 G C -0.423 174.368 174.900 -0.182 0.000 1.536 71 G CA 0.110 45.099 45.100 -0.186 0.000 0.943 71 G HN 0.657 nan 8.290 nan 0.000 0.781 72 N N -0.938 117.588 118.700 -0.290 0.000 3.255 72 N HA 0.282 5.021 4.740 -0.001 0.000 0.359 72 N C 0.481 175.925 175.510 -0.110 0.000 1.463 72 N CA -0.647 52.276 53.050 -0.212 0.000 0.695 72 N CB 0.305 38.615 38.487 -0.295 0.000 1.581 72 N HN 0.078 nan 8.380 nan 0.000 0.622 73 N N -1.146 117.429 118.700 -0.209 0.000 2.381 73 N HA 0.047 4.786 4.740 -0.001 0.000 0.182 73 N C 0.216 175.392 175.510 -0.556 0.000 1.025 73 N CA 0.998 53.782 53.050 -0.442 0.000 0.888 73 N CB -0.261 37.806 38.487 -0.701 0.000 0.965 73 N HN 0.443 nan 8.380 nan 0.000 0.438 74 F N -1.000 118.931 119.950 -0.031 0.000 2.592 74 F HA 0.248 4.776 4.527 0.001 0.000 0.280 74 F C 0.481 176.274 175.800 -0.011 0.000 1.083 74 F CA -0.361 57.655 58.000 0.027 0.000 1.365 74 F CB 0.124 39.247 39.000 0.205 0.000 1.100 74 F HN -0.182 nan 8.300 nan 0.000 0.633 75 F N -1.583 118.252 119.950 -0.193 0.000 2.643 75 F HA 0.844 5.370 4.527 -0.001 0.000 0.314 75 F C 0.417 175.620 175.800 -0.995 0.000 1.096 75 F CA -1.658 55.957 58.000 -0.642 0.000 0.953 75 F CB 0.388 39.243 39.000 -0.241 0.000 1.345 75 F HN -0.046 nan 8.300 nan 0.000 0.468 76 G N 0.758 109.141 108.800 -0.696 0.000 3.152 76 G HA2 0.397 4.356 3.960 -0.001 0.000 0.157 76 G HA3 0.397 4.356 3.960 -0.001 0.000 0.157 76 G C -0.984 173.844 174.900 -0.119 0.000 1.786 76 G CA 0.131 45.001 45.100 -0.384 0.000 1.055 76 G HN 1.046 nan 8.290 nan 0.000 0.528 77 N N -2.011 116.609 118.700 -0.133 0.000 3.031 77 N HA 0.418 5.158 4.740 -0.001 0.000 0.277 77 N C -0.226 175.229 175.510 -0.092 0.000 1.482 77 N CA -0.724 52.268 53.050 -0.097 0.000 0.816 77 N CB 1.159 39.537 38.487 -0.182 0.000 1.594 77 N HN 0.552 nan 8.380 nan 0.000 0.569 78 I N -3.690 116.838 120.570 -0.070 0.000 3.731 78 I HA 0.458 4.628 4.170 -0.001 0.000 0.341 78 I C -0.347 175.750 176.117 -0.034 0.000 1.532 78 I CA -0.552 60.727 61.300 -0.035 0.000 1.163 78 I CB -0.604 37.380 38.000 -0.027 0.000 1.339 78 I HN 0.407 nan 8.210 nan 0.000 0.449 79 N N 0.574 119.201 118.700 -0.122 0.000 2.415 79 N HA 0.036 4.776 4.740 -0.001 0.000 0.176 79 N C 0.122 175.684 175.510 0.086 0.000 1.042 79 N CA 0.332 53.317 53.050 -0.108 0.000 0.902 79 N CB 0.179 38.499 38.487 -0.279 0.000 0.986 79 N HN 0.476 nan 8.380 nan 0.000 0.447 80 W N 1.650 122.989 121.300 0.065 0.000 2.637 80 W HA 0.375 5.034 4.660 -0.000 0.000 0.420 80 W C -0.679 175.874 176.519 0.056 0.000 0.766 80 W CA -1.114 56.279 57.345 0.080 0.000 2.499 80 W CB -1.026 28.518 29.460 0.141 0.000 1.395 80 W HN -0.051 nan 8.180 nan 0.000 0.802 81 L N 1.902 123.260 121.223 0.225 0.000 2.462 81 L HA 0.000 4.340 4.340 -0.001 0.000 0.272 81 L C 1.315 178.258 176.870 0.121 0.000 1.166 81 L CA 0.539 55.471 54.840 0.153 0.000 0.880 81 L CB 0.179 42.306 42.059 0.113 0.000 1.142 81 L HN 0.063 nan 8.230 nan 0.000 0.473 82 M N 4.950 124.600 119.600 0.084 0.000 2.545 82 M HA -0.269 4.210 4.480 -0.001 0.000 0.192 82 M C 0.726 177.041 176.300 0.025 0.000 0.512 82 M CA 0.653 55.978 55.300 0.042 0.000 0.508 82 M CB -1.604 31.025 32.600 0.048 0.000 1.844 82 M HN 0.740 nan 8.290 nan 0.000 0.756 83 L N -2.364 118.882 121.223 0.037 0.000 4.232 83 L HA -0.264 4.076 4.340 -0.001 0.000 0.415 83 L C 0.853 177.756 176.870 0.055 0.000 1.168 83 L CA 1.068 55.895 54.840 -0.020 0.000 0.966 83 L CB -1.501 40.409 42.059 -0.249 0.000 2.052 83 L HN 0.550 nan 8.230 nan 0.000 0.887 84 K N 1.578 122.057 120.400 0.132 0.000 2.469 84 K HA -0.011 4.308 4.320 -0.001 0.000 0.274 84 K C 1.210 177.948 176.600 0.230 0.000 0.983 84 K CA 0.762 57.140 56.287 0.152 0.000 0.974 84 K CB 0.305 32.890 32.500 0.143 0.000 0.913 84 K HN 0.350 nan 8.250 nan 0.000 0.493 85 N N 0.687 119.497 118.700 0.184 0.000 2.936 85 N HA -0.224 4.516 4.740 -0.001 0.000 0.236 85 N C -0.669 174.936 175.510 0.157 0.000 0.930 85 N CA 1.316 54.501 53.050 0.224 0.000 0.966 85 N CB -1.212 37.485 38.487 0.350 0.000 1.090 85 N HN 0.533 nan 8.380 nan 0.000 0.592 86 I N 2.123 122.699 120.570 0.010 0.000 2.291 86 I HA 0.114 4.284 4.170 -0.001 0.000 0.290 86 I C 0.808 176.959 176.117 0.056 0.000 1.050 86 I CA -0.231 61.015 61.300 -0.091 0.000 1.245 86 I CB 0.746 38.569 38.000 -0.294 0.000 1.405 86 I HN -0.100 nan 8.210 nan 0.000 0.478 87 E N 3.847 124.072 120.200 0.041 0.000 2.398 87 E HA -0.024 4.326 4.350 -0.001 0.000 0.263 87 E C 0.815 177.396 176.600 -0.032 0.000 1.046 87 E CA -0.371 56.039 56.400 0.017 0.000 0.908 87 E CB 1.381 31.091 29.700 0.017 0.000 0.963 87 E HN 0.463 nan 8.360 nan 0.000 0.431 88 L N 3.438 124.565 121.223 -0.159 0.000 2.079 88 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 88 L C 2.189 178.860 176.870 -0.332 0.000 1.081 88 L CA 2.391 56.984 54.840 -0.412 0.000 0.752 88 L CB -0.744 41.052 42.059 -0.438 0.000 0.896 88 L HN 0.706 nan 8.230 nan 0.000 0.433 89 T N -2.846 111.613 114.554 -0.158 0.000 3.169 89 T HA 0.388 4.737 4.350 -0.001 0.000 0.250 89 T C 0.837 175.671 174.700 0.222 0.000 1.111 89 T CA 0.114 62.216 62.100 0.003 0.000 1.010 89 T CB -0.678 68.209 68.868 0.032 0.000 0.984 89 T HN 0.377 nan 8.240 nan 0.000 0.537 90 A N 1.435 124.334 122.820 0.132 0.000 2.520 90 A HA 0.521 4.841 4.320 -0.001 0.000 0.245 90 A C 0.196 177.873 177.584 0.156 0.000 1.072 90 A CA -0.340 51.768 52.037 0.118 0.000 0.761 90 A CB 0.043 19.077 19.000 0.057 0.000 1.004 90 A HN 0.391 nan 8.150 nan 0.000 0.499 91 V N 3.756 123.709 119.914 0.065 0.000 2.483 91 V HA 0.524 4.643 4.120 -0.001 0.000 0.295 91 V C 0.002 176.076 176.094 -0.034 0.000 1.035 91 V CA -0.338 61.947 62.300 -0.025 0.000 0.896 91 V CB 1.389 33.152 31.823 -0.100 0.000 0.986 91 V HN 0.968 nan 8.190 nan 0.000 0.447 92 M N 4.902 124.462 119.600 -0.067 0.000 2.085 92 M HA 0.710 5.190 4.480 -0.001 0.000 0.309 92 M C 0.453 176.675 176.300 -0.129 0.000 0.947 92 M CA 1.052 56.285 55.300 -0.111 0.000 0.918 92 M CB 0.769 33.250 32.600 -0.198 0.000 1.504 92 M HN 1.026 nan 8.290 nan 0.000 0.420 93 G N 3.186 111.927 108.800 -0.098 0.000 2.595 93 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.297 93 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.297 93 G C 0.369 175.219 174.900 -0.084 0.000 1.181 93 G CA 0.646 45.697 45.100 -0.082 0.000 0.963 93 G HN 1.542 nan 8.290 nan 0.000 0.541 94 S N 0.338 115.982 115.700 -0.093 0.000 2.749 94 S HA 0.630 5.100 4.470 -0.001 0.000 0.246 94 S C 0.518 175.025 174.600 -0.154 0.000 1.023 94 S CA 0.556 58.690 58.200 -0.110 0.000 1.012 94 S CB -0.320 62.832 63.200 -0.080 0.000 0.942 94 S HN 1.710 nan 8.310 nan 0.000 0.531 95 I N -2.753 117.722 120.570 -0.158 0.000 3.042 95 I HA 0.697 4.867 4.170 -0.001 0.000 0.310 95 I C -1.115 174.889 176.117 -0.188 0.000 1.117 95 I CA -1.828 59.366 61.300 -0.177 0.000 1.003 95 I CB 0.875 38.837 38.000 -0.064 0.000 1.228 95 I HN -0.135 nan 8.210 nan 0.000 0.443 96 Y N 1.982 122.280 120.300 -0.004 0.000 2.610 96 Y HA 0.003 4.553 4.550 -0.001 0.000 0.332 96 Y C 1.719 177.637 175.900 0.031 0.000 1.201 96 Y CA 0.488 58.590 58.100 0.004 0.000 1.465 96 Y CB 0.458 38.915 38.460 -0.005 0.000 1.283 96 Y HN 0.696 nan 8.280 nan 0.000 0.563 97 Q N 2.294 122.208 119.800 0.190 0.000 2.135 97 Q HA -0.254 4.085 4.340 -0.001 0.000 0.204 97 Q C 1.366 177.409 176.000 0.072 0.000 0.981 97 Q CA 1.804 57.662 55.803 0.091 0.000 0.856 97 Q CB -0.284 28.449 28.738 -0.007 0.000 0.902 97 Q HN 0.910 nan 8.270 nan 0.000 0.425 98 Y N 0.311 120.571 120.300 -0.066 0.000 2.139 98 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 98 Y C 2.040 177.907 175.900 -0.055 0.000 1.179 98 Y CA 1.472 59.511 58.100 -0.102 0.000 1.161 98 Y CB -0.030 38.380 38.460 -0.083 0.000 0.970 98 Y HN 0.206 nan 8.280 nan 0.000 0.511 99 I N -1.277 119.396 120.570 0.171 0.000 2.315 99 I HA -0.334 3.836 4.170 -0.001 0.000 0.248 99 I C 2.501 178.674 176.117 0.093 0.000 1.117 99 I CA 1.409 62.778 61.300 0.114 0.000 1.404 99 I CB -0.627 37.441 38.000 0.114 0.000 1.071 99 I HN 0.374 nan 8.210 nan 0.000 0.419 100 H N 1.197 120.257 119.070 -0.017 0.000 2.387 100 H HA -0.133 4.422 4.556 -0.001 0.000 0.299 100 H C 2.292 177.599 175.328 -0.036 0.000 1.090 100 H CA 1.870 57.907 56.048 -0.019 0.000 1.332 100 H CB 0.255 29.999 29.762 -0.029 0.000 1.386 100 H HN 0.121 nan 8.280 nan 0.000 0.516 101 V N 1.380 121.130 119.914 -0.274 0.000 2.255 101 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 101 V C 3.076 179.149 176.094 -0.035 0.000 1.051 101 V CA 1.862 63.891 62.300 -0.452 0.000 1.018 101 V CB -1.273 30.107 31.823 -0.738 0.000 0.641 101 V HN 0.589 nan 8.190 nan 0.000 0.445 102 A N -0.769 122.019 122.820 -0.054 0.000 1.902 102 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 102 A C 2.119 179.676 177.584 -0.046 0.000 1.181 102 A CA 2.070 54.092 52.037 -0.026 0.000 0.623 102 A CB -0.716 18.289 19.000 0.008 0.000 0.818 102 A HN 0.517 nan 8.150 nan 0.000 0.443 103 F N 0.480 120.335 119.950 -0.158 0.000 2.102 103 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 103 F C 2.521 178.172 175.800 -0.249 0.000 1.105 103 F CA 2.109 59.993 58.000 -0.193 0.000 1.239 103 F CB -0.185 38.700 39.000 -0.192 0.000 0.991 103 F HN 0.182 nan 8.300 nan 0.000 0.474 104 Q N 0.292 119.955 119.800 -0.228 0.000 2.119 104 Q HA -0.080 4.260 4.340 -0.001 0.000 0.201 104 Q C 2.557 178.213 176.000 -0.573 0.000 0.972 104 Q CA 1.348 57.004 55.803 -0.245 0.000 0.847 104 Q CB -1.366 27.365 28.738 -0.012 0.000 0.903 104 Q HN 0.567 nan 8.270 nan 0.000 0.433 105 G N 1.018 109.360 108.800 -0.764 0.000 2.440 105 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.218 105 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.218 105 G C 1.665 176.062 174.900 -0.838 0.000 1.154 105 G CA 1.510 45.736 45.100 -1.457 0.000 0.767 105 G HN 0.525 nan 8.290 nan 0.000 0.552 106 S N 1.042 116.416 115.700 -0.545 0.000 2.402 106 S HA 0.201 4.670 4.470 -0.001 0.000 0.229 106 S C 2.564 176.909 174.600 -0.425 0.000 1.021 106 S CA 1.390 59.357 58.200 -0.388 0.000 0.974 106 S CB -0.346 62.677 63.200 -0.295 0.000 0.800 106 S HN 0.575 nan 8.310 nan 0.000 0.484 107 A N 1.976 124.486 122.820 -0.517 0.000 1.930 107 A HA 0.356 4.676 4.320 -0.001 0.000 0.217 107 A C 2.529 179.896 177.584 -0.361 0.000 1.175 107 A CA 1.573 53.396 52.037 -0.355 0.000 0.627 107 A CB -1.412 17.467 19.000 -0.202 0.000 0.815 107 A HN 0.869 nan 8.150 nan 0.000 0.443 108 A N -0.955 121.471 122.820 -0.658 0.000 1.933 108 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 108 A C 2.290 179.515 177.584 -0.598 0.000 1.175 108 A CA 1.634 53.029 52.037 -1.070 0.000 0.628 108 A CB -1.240 17.054 19.000 -1.177 0.000 0.814 108 A HN 0.587 nan 8.150 nan 0.000 0.444 109 C N -1.247 117.796 119.300 -0.428 0.000 2.432 109 C HA -0.096 4.363 4.460 -0.001 0.000 0.277 109 C C 2.469 177.396 174.990 -0.105 0.000 1.249 109 C CA 1.115 60.020 59.018 -0.188 0.000 1.725 109 C CB -1.260 26.454 27.740 -0.044 0.000 2.028 109 C HN 0.689 nan 8.230 nan 0.000 0.477 110 I N 1.252 121.719 120.570 -0.171 0.000 2.315 110 I HA -0.149 4.021 4.170 -0.001 0.000 0.248 110 I C 2.361 178.379 176.117 -0.165 0.000 1.117 110 I CA 1.855 63.050 61.300 -0.175 0.000 1.404 110 I CB -0.632 37.209 38.000 -0.265 0.000 1.071 110 I HN 0.303 nan 8.210 nan 0.000 0.419 111 T N -0.259 114.194 114.554 -0.169 0.000 2.684 111 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 111 T C 2.015 176.690 174.700 -0.041 0.000 1.036 111 T CA 1.923 63.980 62.100 -0.071 0.000 1.148 111 T CB -0.635 68.269 68.868 0.060 0.000 0.863 111 T HN 0.208 nan 8.240 nan 0.000 0.436 112 V N 1.391 121.280 119.914 -0.042 0.000 2.427 112 V HA -0.049 4.070 4.120 -0.001 0.000 0.248 112 V C 2.888 178.969 176.094 -0.022 0.000 1.051 112 V CA 1.806 64.097 62.300 -0.015 0.000 1.048 112 V CB -1.356 30.475 31.823 0.013 0.000 0.666 112 V HN 0.620 nan 8.190 nan 0.000 0.456 113 G N -0.026 108.767 108.800 -0.011 0.000 2.440 113 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.218 113 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.218 113 G C 1.577 176.502 174.900 0.042 0.000 1.154 113 G CA 1.007 46.117 45.100 0.015 0.000 0.767 113 G HN 0.474 nan 8.290 nan 0.000 0.552 114 L N -0.081 121.145 121.223 0.006 0.000 2.079 114 L HA -0.069 4.271 4.340 -0.001 0.000 0.210 114 L C 2.835 179.706 176.870 0.001 0.000 1.081 114 L CA 0.811 55.678 54.840 0.044 0.000 0.752 114 L CB -0.343 41.622 42.059 -0.157 0.000 0.896 114 L HN 0.239 nan 8.230 nan 0.000 0.433 115 I N -1.326 119.193 120.570 -0.084 0.000 2.193 115 I HA -0.202 3.968 4.170 -0.001 0.000 0.240 115 I C 2.409 178.426 176.117 -0.166 0.000 1.084 115 I CA 0.804 62.025 61.300 -0.131 0.000 1.365 115 I CB -0.289 37.609 38.000 -0.170 0.000 1.064 115 I HN -0.051 nan 8.210 nan 0.000 0.410 116 V N 1.199 121.037 119.914 -0.126 0.000 2.358 116 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 116 V C 2.621 178.562 176.094 -0.255 0.000 1.047 116 V CA 2.158 64.371 62.300 -0.145 0.000 1.035 116 V CB -1.467 30.310 31.823 -0.077 0.000 0.658 116 V HN 0.581 nan 8.190 nan 0.000 0.452 117 G N -0.311 108.301 108.800 -0.313 0.000 2.442 117 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.219 117 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.219 117 G C 1.723 175.936 174.900 -1.144 0.000 1.141 117 G CA 1.127 45.877 45.100 -0.585 0.000 0.763 117 G HN 0.617 nan 8.290 nan 0.000 0.554 118 A N -0.064 122.046 122.820 -1.184 0.000 1.929 118 A HA 0.303 4.622 4.320 -0.001 0.000 0.216 118 A C 2.235 179.606 177.584 -0.355 0.000 1.176 118 A CA 0.948 52.529 52.037 -0.761 0.000 0.628 118 A CB -0.157 18.644 19.000 -0.332 0.000 0.816 118 A HN 0.349 nan 8.150 nan 0.000 0.444 119 L N -1.392 119.651 121.223 -0.300 0.000 2.664 119 L HA 0.193 4.533 4.340 -0.001 0.000 0.233 119 L C 2.599 179.355 176.870 -0.191 0.000 1.113 119 L CA 0.474 55.185 54.840 -0.215 0.000 0.896 119 L CB -0.014 41.919 42.059 -0.210 0.000 1.163 119 L HN 0.361 nan 8.230 nan 0.000 0.497 120 A N 0.441 123.135 122.820 -0.209 0.000 1.948 120 A HA -0.259 4.060 4.320 -0.001 0.000 0.220 120 A C 2.104 179.603 177.584 -0.141 0.000 1.177 120 A CA 1.804 53.729 52.037 -0.187 0.000 0.636 120 A CB -0.314 18.569 19.000 -0.196 0.000 0.815 120 A HN 0.450 nan 8.150 nan 0.000 0.449 121 E N -0.746 119.381 120.200 -0.121 0.000 2.070 121 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 121 E C 2.199 178.749 176.600 -0.082 0.000 1.004 121 E CA 1.627 57.976 56.400 -0.085 0.000 0.805 121 E CB -0.138 29.521 29.700 -0.070 0.000 0.744 121 E HN 0.658 nan 8.360 nan 0.000 0.451 122 R N -0.402 120.038 120.500 -0.101 0.000 2.265 122 R HA 0.260 4.600 4.340 -0.001 0.000 0.194 122 R C 0.911 177.152 176.300 -0.099 0.000 0.931 122 R CA -0.011 56.029 56.100 -0.100 0.000 1.032 122 R CB 0.530 30.757 30.300 -0.122 0.000 0.980 122 R HN 0.112 nan 8.270 nan 0.000 0.497 123 I N 1.325 121.834 120.570 -0.102 0.000 2.441 123 I HA 0.206 4.376 4.170 -0.001 0.000 0.295 123 I C -0.011 176.078 176.117 -0.046 0.000 0.994 123 I CA -1.215 60.037 61.300 -0.080 0.000 1.144 123 I CB 1.434 39.381 38.000 -0.089 0.000 1.314 123 I HN -0.025 nan 8.210 nan 0.000 0.445 124 R N 4.611 125.109 120.500 -0.004 0.000 2.623 124 R HA -0.035 4.305 4.340 -0.001 0.000 0.271 124 R C 0.428 176.787 176.300 0.100 0.000 1.043 124 R CA 0.132 56.262 56.100 0.050 0.000 1.083 124 R CB 0.435 30.770 30.300 0.057 0.000 0.974 124 R HN 0.687 nan 8.270 nan 0.000 0.436 125 F N 2.296 122.254 119.950 0.013 0.000 2.069 125 F HA -0.262 4.264 4.527 -0.001 0.000 0.298 125 F C 2.495 178.316 175.800 0.035 0.000 1.113 125 F CA 2.468 60.482 58.000 0.023 0.000 1.214 125 F CB -0.499 38.513 39.000 0.020 0.000 0.978 125 F HN 0.724 nan 8.300 nan 0.000 0.474 126 S N 0.110 116.002 115.700 0.320 0.000 2.399 126 S HA -0.142 4.327 4.470 -0.001 0.000 0.231 126 S C 2.243 176.943 174.600 0.167 0.000 1.022 126 S CA 0.863 59.183 58.200 0.200 0.000 0.983 126 S CB -1.171 62.093 63.200 0.107 0.000 0.803 126 S HN 0.379 nan 8.310 nan 0.000 0.480 127 A N 1.205 124.111 122.820 0.144 0.000 1.898 127 A HA 0.090 4.410 4.320 -0.001 0.000 0.216 127 A C 2.415 180.096 177.584 0.161 0.000 1.181 127 A CA 1.414 53.527 52.037 0.128 0.000 0.620 127 A CB -1.135 17.921 19.000 0.094 0.000 0.819 127 A HN 0.515 nan 8.150 nan 0.000 0.442 128 V N -0.039 119.959 119.914 0.140 0.000 2.548 128 V HA -0.152 3.968 4.120 -0.001 0.000 0.249 128 V C 2.340 178.550 176.094 0.192 0.000 1.055 128 V CA 1.779 64.166 62.300 0.145 0.000 1.065 128 V CB -0.402 31.427 31.823 0.010 0.000 0.681 128 V HN 0.581 nan 8.190 nan 0.000 0.462 129 L N -0.701 120.638 121.223 0.194 0.000 2.056 129 L HA -0.154 4.186 4.340 -0.001 0.000 0.207 129 L C 2.338 179.293 176.870 0.142 0.000 1.078 129 L CA 1.863 56.813 54.840 0.183 0.000 0.749 129 L CB -0.461 41.726 42.059 0.213 0.000 0.901 129 L HN 0.274 nan 8.230 nan 0.000 0.433 130 I N -0.884 119.770 120.570 0.140 0.000 2.179 130 I HA -0.330 3.839 4.170 -0.001 0.000 0.242 130 I C 2.490 178.668 176.117 0.101 0.000 1.088 130 I CA 1.406 62.770 61.300 0.108 0.000 1.357 130 I CB -0.345 37.716 38.000 0.101 0.000 1.051 130 I HN 0.134 nan 8.210 nan 0.000 0.409 131 F N 1.398 121.345 119.950 -0.004 0.000 2.091 131 F HA -0.248 4.278 4.527 -0.002 0.000 0.299 131 F C 2.367 178.171 175.800 0.006 0.000 1.103 131 F CA 1.747 59.697 58.000 -0.084 0.000 1.228 131 F CB -0.575 38.283 39.000 -0.238 0.000 0.984 131 F HN -0.218 nan 8.300 nan 0.000 0.477 132 V N -0.001 119.884 119.914 -0.048 0.000 2.287 132 V HA -0.340 3.780 4.120 -0.001 0.000 0.248 132 V C 2.447 178.511 176.094 -0.050 0.000 1.053 132 V CA 1.834 64.092 62.300 -0.070 0.000 1.027 132 V CB -0.860 31.012 31.823 0.082 0.000 0.646 132 V HN 0.338 nan 8.190 nan 0.000 0.447 133 V N -0.385 119.531 119.914 0.003 0.000 2.255 133 V HA -0.250 3.869 4.120 -0.001 0.000 0.247 133 V C 2.389 178.489 176.094 0.011 0.000 1.051 133 V CA 2.145 64.472 62.300 0.044 0.000 1.018 133 V CB -0.550 31.312 31.823 0.066 0.000 0.641 133 V HN 0.407 nan 8.190 nan 0.000 0.445 134 V N -1.405 118.477 119.914 -0.052 0.000 2.261 134 V HA -0.294 3.826 4.120 -0.001 0.000 0.246 134 V C 1.983 178.026 176.094 -0.086 0.000 1.047 134 V CA 2.534 64.796 62.300 -0.064 0.000 1.015 134 V CB -0.723 31.063 31.823 -0.061 0.000 0.642 134 V HN 0.776 nan 8.190 nan 0.000 0.446 135 W N 0.098 121.125 121.300 -0.454 0.000 2.418 135 W HA -0.096 4.563 4.660 -0.002 0.000 0.292 135 W C 2.182 178.610 176.519 -0.152 0.000 1.213 135 W CA 1.446 58.533 57.345 -0.430 0.000 1.283 135 W CB -0.162 28.687 29.460 -1.017 0.000 1.119 135 W HN 0.195 nan 8.180 nan 0.000 0.542 136 L N 0.424 121.689 121.223 0.070 0.000 2.046 136 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 136 L C 2.272 179.159 176.870 0.028 0.000 1.077 136 L CA 2.716 57.592 54.840 0.060 0.000 0.747 136 L CB -1.124 41.008 42.059 0.121 0.000 0.896 136 L HN -0.105 nan 8.230 nan 0.000 0.432 137 T N -0.564 114.022 114.554 0.053 0.000 2.812 137 T HA -0.055 4.294 4.350 -0.001 0.000 0.264 137 T C 1.726 176.431 174.700 0.008 0.000 1.042 137 T CA 1.731 63.892 62.100 0.101 0.000 1.140 137 T CB -0.135 68.802 68.868 0.114 0.000 0.870 137 T HN 0.283 nan 8.240 nan 0.000 0.445 138 L N -0.259 120.934 121.223 -0.050 0.000 2.638 138 L HA 0.316 4.655 4.340 -0.001 0.000 0.232 138 L C 2.308 179.223 176.870 0.075 0.000 1.099 138 L CA 0.210 55.053 54.840 0.005 0.000 0.883 138 L CB 0.142 42.194 42.059 -0.011 0.000 1.136 138 L HN 0.184 nan 8.230 nan 0.000 0.492 139 S N -1.203 114.343 115.700 -0.257 0.000 2.877 139 S HA -0.023 4.446 4.470 -0.001 0.000 0.230 139 S C 1.762 176.020 174.600 -0.571 0.000 0.999 139 S CA -0.038 57.906 58.200 -0.426 0.000 0.866 139 S CB -0.206 62.370 63.200 -1.041 0.000 0.819 139 S HN 0.327 nan 8.310 nan 0.000 0.607 140 Y N 2.357 122.139 120.300 -0.865 0.000 2.128 140 Y HA -0.049 4.501 4.550 -0.001 0.000 0.284 140 Y C 1.924 177.688 175.900 -0.227 0.000 1.154 140 Y CA 1.978 59.772 58.100 -0.512 0.000 1.149 140 Y CB -0.321 37.927 38.460 -0.353 0.000 0.976 140 Y HN 0.300 nan 8.280 nan 0.000 0.505 141 I N 0.138 120.701 120.570 -0.012 0.000 2.142 141 I HA -0.245 3.925 4.170 -0.001 0.000 0.240 141 I C -0.652 175.378 176.117 -0.145 0.000 1.078 141 I CA 1.348 62.660 61.300 0.021 0.000 1.343 141 I CB -1.531 36.535 38.000 0.110 0.000 1.046 141 I HN 0.193 nan 8.210 nan 0.000 0.405 142 P HA -0.137 nan 4.420 nan 0.000 0.216 142 P C 1.826 178.855 177.300 -0.451 0.000 1.150 142 P CA 1.582 64.553 63.100 -0.215 0.000 0.837 142 P CB -0.018 31.587 31.700 -0.158 0.000 0.786 143 I N -0.803 119.392 120.570 -0.625 0.000 2.315 143 I HA -0.200 3.970 4.170 -0.001 0.000 0.248 143 I C 2.320 178.077 176.117 -0.599 0.000 1.117 143 I CA 1.239 62.152 61.300 -0.645 0.000 1.404 143 I CB -0.728 36.903 38.000 -0.614 0.000 1.071 143 I HN -0.094 nan 8.210 nan 0.000 0.419 144 A N 0.127 122.563 122.820 -0.640 0.000 1.933 144 A HA -0.301 4.019 4.320 -0.001 0.000 0.218 144 A C 2.179 179.519 177.584 -0.407 0.000 1.175 144 A CA 2.054 53.766 52.037 -0.542 0.000 0.628 144 A CB -0.935 17.816 19.000 -0.414 0.000 0.814 144 A HN 0.511 nan 8.150 nan 0.000 0.444 145 H N -0.824 117.966 119.070 -0.468 0.000 2.357 145 H HA 0.042 4.598 4.556 -0.001 0.000 0.301 145 H C 1.971 177.117 175.328 -0.302 0.000 1.082 145 H CA 2.021 57.831 56.048 -0.396 0.000 1.342 145 H CB -0.196 29.389 29.762 -0.296 0.000 1.389 145 H HN 0.401 nan 8.280 nan 0.000 0.511 146 M N -0.819 118.597 119.600 -0.308 0.000 2.229 146 M HA -0.126 4.354 4.480 -0.001 0.000 0.264 146 M C 1.831 177.950 176.300 -0.301 0.000 1.063 146 M CA 1.150 56.250 55.300 -0.334 0.000 1.114 146 M CB 0.300 32.683 32.600 -0.362 0.000 1.387 146 M HN 0.217 nan 8.290 nan 0.000 0.420 147 V N -2.549 117.158 119.914 -0.346 0.000 2.672 147 V HA -0.081 4.039 4.120 -0.001 0.000 0.242 147 V C 1.332 177.358 176.094 -0.114 0.000 1.059 147 V CA 1.004 63.105 62.300 -0.331 0.000 1.081 147 V CB -0.061 31.395 31.823 -0.611 0.000 0.752 147 V HN 0.548 nan 8.190 nan 0.000 0.472 148 W N 0.007 121.268 121.300 -0.064 0.000 2.868 148 W HA 0.483 5.143 4.660 -0.000 0.000 0.320 148 W C 1.693 178.288 176.519 0.127 0.000 1.076 148 W CA 0.304 57.710 57.345 0.103 0.000 1.576 148 W CB -0.054 29.588 29.460 0.302 0.000 1.030 148 W HN 0.300 nan 8.180 nan 0.000 0.558 149 G N -0.442 108.355 108.800 -0.005 0.000 3.605 149 G HA2 0.381 4.341 3.960 -0.001 0.000 0.277 149 G HA3 0.381 4.341 3.960 -0.001 0.000 0.277 149 G C 1.167 175.830 174.900 -0.396 0.000 1.093 149 G CA 0.206 45.190 45.100 -0.193 0.000 0.821 149 G HN 0.253 nan 8.290 nan 0.000 0.532 150 G N -0.886 107.781 108.800 -0.222 0.000 2.148 150 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.254 150 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.254 150 G C 0.877 175.599 174.900 -0.297 0.000 0.981 150 G CA 0.327 45.310 45.100 -0.195 0.000 0.670 150 G HN 1.001 nan 8.290 nan 0.000 0.528 151 G N -0.873 107.657 108.800 -0.450 0.000 2.504 151 G HA2 0.527 4.486 3.960 -0.001 0.000 0.257 151 G HA3 0.527 4.486 3.960 -0.001 0.000 0.257 151 G C 1.347 176.086 174.900 -0.268 0.000 1.451 151 G CA 0.193 45.063 45.100 -0.383 0.000 1.059 151 G HN 0.909 nan 8.290 nan 0.000 0.550 152 L N -0.620 120.403 121.223 -0.332 0.000 2.021 152 L HA -0.105 4.234 4.340 -0.001 0.000 0.215 152 L C 2.702 179.561 176.870 -0.017 0.000 1.074 152 L CA 1.792 56.496 54.840 -0.226 0.000 0.760 152 L CB -0.492 41.325 42.059 -0.403 0.000 0.889 152 L HN 0.470 nan 8.230 nan 0.000 0.433 153 L N -1.330 119.835 121.223 -0.096 0.000 2.095 153 L HA -0.052 4.288 4.340 -0.001 0.000 0.204 153 L C 2.637 179.508 176.870 0.001 0.000 1.080 153 L CA 0.890 55.708 54.840 -0.037 0.000 0.759 153 L CB -0.875 41.121 42.059 -0.103 0.000 0.914 153 L HN 0.345 nan 8.230 nan 0.000 0.439 154 A N 0.401 123.195 122.820 -0.043 0.000 1.933 154 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 154 A C 2.506 180.087 177.584 -0.005 0.000 1.175 154 A CA 2.033 54.068 52.037 -0.003 0.000 0.628 154 A CB -0.625 18.369 19.000 -0.011 0.000 0.814 154 A HN 0.519 nan 8.150 nan 0.000 0.444 155 S N -1.129 114.541 115.700 -0.051 0.000 2.453 155 S HA -0.125 4.345 4.470 -0.001 0.000 0.231 155 S C 1.400 175.889 174.600 -0.185 0.000 1.005 155 S CA 1.238 59.367 58.200 -0.120 0.000 0.949 155 S CB -0.662 62.428 63.200 -0.183 0.000 0.774 155 S HN 0.704 nan 8.310 nan 0.000 0.510 156 H N 1.027 120.084 119.070 -0.022 0.000 2.539 156 H HA 0.428 4.984 4.556 -0.001 0.000 0.269 156 H C 1.465 176.817 175.328 0.039 0.000 0.980 156 H CA 0.255 56.311 56.048 0.014 0.000 1.152 156 H CB 0.144 29.903 29.762 -0.005 0.000 1.407 156 H HN 0.565 nan 8.280 nan 0.000 0.564 157 G N 0.311 109.173 108.800 0.102 0.000 2.142 157 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.225 157 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.225 157 G C 0.316 175.256 174.900 0.066 0.000 1.015 157 G CA -0.026 45.126 45.100 0.087 0.000 0.716 157 G HN 0.648 nan 8.290 nan 0.000 0.508 158 A N -0.111 122.743 122.820 0.056 0.000 2.520 158 A HA 0.586 4.906 4.320 -0.001 0.000 0.245 158 A C 0.681 178.297 177.584 0.054 0.000 1.072 158 A CA 0.311 52.368 52.037 0.035 0.000 0.761 158 A CB 0.273 19.281 19.000 0.013 0.000 1.004 158 A HN 0.973 nan 8.150 nan 0.000 0.499 159 L N 2.956 124.198 121.223 0.031 0.000 2.257 159 L HA 0.416 4.756 4.340 -0.001 0.000 0.290 159 L C -0.408 176.594 176.870 0.221 0.000 1.044 159 L CA -0.222 54.624 54.840 0.010 0.000 0.810 159 L CB 1.042 42.945 42.059 -0.261 0.000 1.193 159 L HN 0.732 nan 8.230 nan 0.000 0.425 160 D N 2.333 122.991 120.400 0.431 0.000 2.351 160 D HA 0.073 4.713 4.640 -0.001 0.000 0.235 160 D C 0.130 176.850 176.300 0.700 0.000 1.331 160 D CA -0.441 53.845 54.000 0.476 0.000 0.959 160 D CB 0.731 41.669 40.800 0.230 0.000 1.432 160 D HN 0.251 nan 8.370 nan 0.000 0.544 161 F N 3.042 123.335 119.950 0.573 0.000 2.084 161 F HA 0.096 4.623 4.527 -0.001 0.000 0.296 161 F C 1.801 177.851 175.800 0.417 0.000 1.111 161 F CA 1.948 60.170 58.000 0.370 0.000 1.224 161 F CB 0.424 39.432 39.000 0.014 0.000 0.991 161 F HN 0.440 nan 8.300 nan 0.000 0.471 162 A N -1.462 121.709 122.820 0.584 0.000 2.571 162 A HA 0.557 4.876 4.320 -0.001 0.000 0.274 162 A C 0.880 178.890 177.584 0.709 0.000 1.196 162 A CA 0.395 52.736 52.037 0.507 0.000 0.957 162 A CB -0.358 18.913 19.000 0.451 0.000 1.150 162 A HN 0.877 nan 8.150 nan 0.000 0.539 163 G N -1.062 108.199 108.800 0.768 0.000 2.337 163 G HA2 0.035 3.994 3.960 -0.001 0.000 0.134 163 G HA3 0.035 3.994 3.960 -0.001 0.000 0.134 163 G C 0.983 176.119 174.900 0.393 0.000 1.052 163 G CA 0.233 45.633 45.100 0.500 0.000 0.737 163 G HN 1.113 nan 8.290 nan 0.000 0.485 164 G N 0.165 109.194 108.800 0.382 0.000 2.440 164 G HA2 0.027 3.987 3.960 -0.001 0.000 0.218 164 G HA3 0.027 3.987 3.960 -0.001 0.000 0.218 164 G C 1.871 176.925 174.900 0.256 0.000 1.154 164 G CA 2.621 47.935 45.100 0.357 0.000 0.767 164 G HN 1.462 nan 8.290 nan 0.000 0.552 165 T N -1.237 113.388 114.554 0.119 0.000 2.837 165 T HA -0.000 4.349 4.350 -0.001 0.000 0.248 165 T C 2.326 177.006 174.700 -0.033 0.000 1.033 165 T CA 1.256 63.379 62.100 0.038 0.000 1.150 165 T CB -0.614 68.225 68.868 -0.047 0.000 0.865 165 T HN -0.016 nan 8.240 nan 0.000 0.425 166 V N 1.652 121.426 119.914 -0.234 0.000 2.332 166 V HA -0.116 4.003 4.120 -0.001 0.000 0.248 166 V C 2.801 178.864 176.094 -0.051 0.000 1.055 166 V CA 1.608 63.680 62.300 -0.381 0.000 1.038 166 V CB -0.754 30.506 31.823 -0.939 0.000 0.651 166 V HN 0.419 nan 8.190 nan 0.000 0.450 167 V N -1.368 118.570 119.914 0.040 0.000 2.490 167 V HA -0.030 4.090 4.120 -0.001 0.000 0.238 167 V C 2.285 178.351 176.094 -0.047 0.000 1.056 167 V CA 1.281 63.586 62.300 0.008 0.000 1.075 167 V CB -0.633 31.060 31.823 -0.215 0.000 0.746 167 V HN 0.510 nan 8.190 nan 0.000 0.479 168 H N -0.271 118.947 119.070 0.246 0.000 2.329 168 H HA 0.136 4.692 4.556 -0.001 0.000 0.306 168 H C 2.363 177.853 175.328 0.270 0.000 1.062 168 H CA 1.725 57.945 56.048 0.287 0.000 1.364 168 H CB 0.030 30.005 29.762 0.356 0.000 1.409 168 H HN 0.289 nan 8.280 nan 0.000 0.519 169 I N 1.231 122.008 120.570 0.345 0.000 2.226 169 I HA -0.261 3.909 4.170 -0.001 0.000 0.245 169 I C 2.511 178.826 176.117 0.331 0.000 1.100 169 I CA 0.882 62.368 61.300 0.309 0.000 1.374 169 I CB -0.268 37.879 38.000 0.245 0.000 1.057 169 I HN 0.157 nan 8.210 nan 0.000 0.413 170 N N 1.442 120.326 118.700 0.307 0.000 2.036 170 N HA -0.206 4.533 4.740 -0.001 0.000 0.195 170 N C 1.787 177.625 175.510 0.547 0.000 1.037 170 N CA 2.241 55.544 53.050 0.423 0.000 0.855 170 N CB -0.202 38.502 38.487 0.361 0.000 1.033 170 N HN 0.372 nan 8.380 nan 0.000 0.423 171 A N -0.133 122.915 122.820 0.381 0.000 2.016 171 A HA 0.247 4.566 4.320 -0.001 0.000 0.217 171 A C 2.281 179.954 177.584 0.149 0.000 1.162 171 A CA 1.532 53.664 52.037 0.157 0.000 0.662 171 A CB -0.754 18.273 19.000 0.045 0.000 0.812 171 A HN 0.407 nan 8.150 nan 0.000 0.450 172 A N 0.137 123.119 122.820 0.271 0.000 1.930 172 A HA -0.024 4.296 4.320 -0.001 0.000 0.217 172 A C 1.958 179.769 177.584 0.378 0.000 1.175 172 A CA 1.497 53.753 52.037 0.365 0.000 0.627 172 A CB -0.393 18.895 19.000 0.481 0.000 0.815 172 A HN 0.409 nan 8.150 nan 0.000 0.443 173 I N -0.233 120.552 120.570 0.359 0.000 2.286 173 I HA -0.154 4.016 4.170 -0.001 0.000 0.245 173 I C 2.911 179.172 176.117 0.239 0.000 1.104 173 I CA 1.319 62.785 61.300 0.277 0.000 1.397 173 I CB -1.598 36.585 38.000 0.306 0.000 1.072 173 I HN 0.346 nan 8.210 nan 0.000 0.417 174 A N 1.324 124.290 122.820 0.243 0.000 1.908 174 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 174 A C 2.494 180.136 177.584 0.097 0.000 1.181 174 A CA 1.931 54.058 52.037 0.150 0.000 0.627 174 A CB -1.311 17.512 19.000 -0.294 0.000 0.818 174 A HN 0.429 nan 8.150 nan 0.000 0.445 175 G N -0.651 108.177 108.800 0.045 0.000 2.422 175 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.218 175 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.218 175 G C 1.462 176.372 174.900 0.016 0.000 1.146 175 G CA 0.872 45.980 45.100 0.013 0.000 0.769 175 G HN 0.354 nan 8.290 nan 0.000 0.547 176 L N 0.519 121.777 121.223 0.060 0.000 2.093 176 L HA -0.015 4.324 4.340 -0.001 0.000 0.208 176 L C 3.073 179.952 176.870 0.015 0.000 1.085 176 L CA 1.005 55.848 54.840 0.005 0.000 0.755 176 L CB -0.582 41.413 42.059 -0.107 0.000 0.904 176 L HN 0.128 nan 8.230 nan 0.000 0.435 177 V N -0.071 119.889 119.914 0.076 0.000 2.343 177 V HA -0.194 3.926 4.120 -0.001 0.000 0.247 177 V C 2.678 178.719 176.094 -0.089 0.000 1.051 177 V CA 1.738 64.120 62.300 0.138 0.000 1.036 177 V CB -1.144 30.875 31.823 0.328 0.000 0.654 177 V HN 0.550 nan 8.190 nan 0.000 0.451 178 G N -0.098 108.511 108.800 -0.319 0.000 2.514 178 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.217 178 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.217 178 G C 1.814 176.439 174.900 -0.458 0.000 1.198 178 G CA 1.303 45.889 45.100 -0.857 0.000 0.780 178 G HN 0.616 nan 8.290 nan 0.000 0.565 179 A N -0.169 122.521 122.820 -0.217 0.000 1.917 179 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 179 A C 2.292 179.830 177.584 -0.077 0.000 1.182 179 A CA 1.999 53.963 52.037 -0.121 0.000 0.633 179 A CB -0.774 18.203 19.000 -0.038 0.000 0.819 179 A HN 0.545 nan 8.150 nan 0.000 0.448 180 Y N 0.170 120.383 120.300 -0.145 0.000 2.293 180 Y HA -0.057 4.492 4.550 -0.002 0.000 0.291 180 Y C 1.860 177.696 175.900 -0.107 0.000 1.137 180 Y CA 1.635 59.677 58.100 -0.096 0.000 1.202 180 Y CB -0.120 38.309 38.460 -0.052 0.000 0.990 180 Y HN 0.221 nan 8.280 nan 0.000 0.537 181 L N -0.665 120.424 121.223 -0.224 0.000 2.209 181 L HA 0.041 4.380 4.340 -0.001 0.000 0.207 181 L C 0.659 177.349 176.870 -0.300 0.000 1.094 181 L CA 0.262 54.922 54.840 -0.299 0.000 0.790 181 L CB -0.108 41.777 42.059 -0.290 0.000 0.932 181 L HN 0.032 nan 8.230 nan 0.000 0.447 196 H N -0.203 118.851 119.070 -0.026 0.000 2.544 196 H HA 0.207 4.762 4.556 -0.001 0.000 0.269 196 H C -0.239 175.077 175.328 -0.019 0.000 0.970 196 H CA 0.416 56.453 56.048 -0.018 0.000 1.219 196 H CB 0.693 30.448 29.762 -0.012 0.000 1.421 196 H HN 0.177 nan 8.280 nan 0.000 0.555 197 N N 0.886 119.246 118.700 -0.567 0.000 2.750 197 N HA 0.154 4.893 4.740 -0.001 0.000 0.253 197 N C 0.508 175.873 175.510 -0.242 0.000 1.408 197 N CA -0.208 52.630 53.050 -0.354 0.000 0.780 197 N CB 0.706 38.955 38.487 -0.396 0.000 1.191 197 N HN 0.171 nan 8.380 nan 0.000 0.511 198 L N 1.534 122.666 121.223 -0.151 0.000 2.156 198 L HA 0.066 4.405 4.340 -0.001 0.000 0.208 198 L C -0.717 176.127 176.870 -0.045 0.000 1.095 198 L CA 0.985 55.758 54.840 -0.112 0.000 0.770 198 L CB -0.754 41.251 42.059 -0.090 0.000 0.914 198 L HN 0.308 nan 8.230 nan 0.000 0.439 199 P HA -0.220 nan 4.420 nan 0.000 0.218 199 P C 1.778 179.131 177.300 0.087 0.000 1.148 199 P CA 1.500 64.629 63.100 0.047 0.000 0.822 199 P CB 0.020 31.728 31.700 0.013 0.000 0.784 200 M N -0.747 118.849 119.600 -0.005 0.000 2.099 200 M HA -0.133 4.346 4.480 -0.001 0.000 0.262 200 M C 1.668 177.941 176.300 -0.046 0.000 1.067 200 M CA 1.825 57.110 55.300 -0.025 0.000 1.124 200 M CB -0.501 32.057 32.600 -0.071 0.000 1.353 200 M HN -0.243 nan 8.290 nan 0.000 0.410 201 V N 0.637 120.485 119.914 -0.110 0.000 2.287 201 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 201 V C 2.210 178.276 176.094 -0.048 0.000 1.053 201 V CA 2.284 64.465 62.300 -0.199 0.000 1.027 201 V CB -1.176 30.448 31.823 -0.331 0.000 0.646 201 V HN 0.619 nan 8.190 nan 0.000 0.447 202 F N 1.519 121.408 119.950 -0.102 0.000 2.126 202 F HA -0.220 4.307 4.527 -0.001 0.000 0.299 202 F C 2.391 178.183 175.800 -0.013 0.000 1.096 202 F CA 2.317 60.285 58.000 -0.052 0.000 1.255 202 F CB -0.669 38.295 39.000 -0.059 0.000 0.997 202 F HN 0.117 nan 8.300 nan 0.000 0.479 203 T N 0.066 114.555 114.554 -0.108 0.000 2.746 203 T HA -0.101 4.249 4.350 -0.001 0.000 0.267 203 T C 2.170 176.759 174.700 -0.184 0.000 1.039 203 T CA 1.426 63.419 62.100 -0.178 0.000 1.142 203 T CB -1.223 67.640 68.868 -0.009 0.000 0.866 203 T HN 0.478 nan 8.240 nan 0.000 0.444 204 G N 1.244 109.993 108.800 -0.085 0.000 2.446 204 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 204 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 204 G C 1.732 176.618 174.900 -0.022 0.000 1.168 204 G CA 1.527 46.612 45.100 -0.026 0.000 0.771 204 G HN 0.454 nan 8.290 nan 0.000 0.551 205 T N 1.734 116.307 114.554 0.031 0.000 2.684 205 T HA -0.028 4.322 4.350 -0.001 0.000 0.267 205 T C 2.817 177.447 174.700 -0.116 0.000 1.036 205 T CA 1.674 63.777 62.100 0.005 0.000 1.148 205 T CB -0.448 68.432 68.868 0.019 0.000 0.863 205 T HN 0.391 nan 8.240 nan 0.000 0.436 206 A N 1.106 123.744 122.820 -0.303 0.000 1.883 206 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 206 A C 2.310 179.858 177.584 -0.060 0.000 1.186 206 A CA 1.349 53.245 52.037 -0.235 0.000 0.624 206 A CB -0.818 17.902 19.000 -0.467 0.000 0.822 206 A HN 0.530 nan 8.150 nan 0.000 0.444 207 I N -0.501 119.960 120.570 -0.181 0.000 2.315 207 I HA -0.235 3.934 4.170 -0.001 0.000 0.248 207 I C 2.354 178.324 176.117 -0.245 0.000 1.117 207 I CA 0.891 61.987 61.300 -0.340 0.000 1.404 207 I CB -0.284 37.326 38.000 -0.651 0.000 1.071 207 I HN 0.298 nan 8.210 nan 0.000 0.419 208 L N -0.452 120.695 121.223 -0.125 0.000 2.042 208 L HA -0.279 4.060 4.340 -0.001 0.000 0.210 208 L C 2.689 179.697 176.870 0.230 0.000 1.076 208 L CA 1.613 56.462 54.840 0.016 0.000 0.749 208 L CB -0.759 41.325 42.059 0.043 0.000 0.893 208 L HN 0.270 nan 8.230 nan 0.000 0.432 209 Y N 0.576 120.904 120.300 0.047 0.000 2.114 209 Y HA -0.267 4.283 4.550 -0.001 0.000 0.284 209 Y C 2.469 178.429 175.900 0.100 0.000 1.143 209 Y CA 1.495 59.603 58.100 0.013 0.000 1.135 209 Y CB -0.113 38.322 38.460 -0.042 0.000 0.980 209 Y HN -0.042 nan 8.280 nan 0.000 0.499 210 I N 0.499 121.123 120.570 0.091 0.000 2.179 210 I HA -0.229 3.941 4.170 -0.001 0.000 0.242 210 I C 2.698 178.955 176.117 0.232 0.000 1.088 210 I CA 1.670 63.079 61.300 0.182 0.000 1.357 210 I CB -2.091 36.059 38.000 0.251 0.000 1.051 210 I HN 0.431 nan 8.210 nan 0.000 0.409 211 G N -0.315 108.585 108.800 0.167 0.000 2.422 211 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.218 211 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.218 211 G C 1.568 176.524 174.900 0.094 0.000 1.146 211 G CA 0.092 45.282 45.100 0.151 0.000 0.769 211 G HN 0.364 nan 8.290 nan 0.000 0.547 212 W N 0.744 121.951 121.300 -0.155 0.000 2.364 212 W HA -0.011 4.648 4.660 -0.001 0.000 0.281 212 W C 1.928 178.264 176.519 -0.305 0.000 1.219 212 W CA 0.504 57.706 57.345 -0.238 0.000 1.220 212 W CB -0.465 28.784 29.460 -0.352 0.000 1.127 212 W HN 0.261 nan 8.180 nan 0.000 0.556 213 F N 0.251 120.200 119.950 -0.001 0.000 2.171 213 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 213 F C 2.668 178.483 175.800 0.025 0.000 1.090 213 F CA 1.779 59.687 58.000 -0.153 0.000 1.293 213 F CB -1.315 37.426 39.000 -0.431 0.000 1.013 213 F HN -0.168 nan 8.300 nan 0.000 0.486 214 G N -0.540 108.385 108.800 0.208 0.000 2.422 214 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.218 214 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.218 214 G C 1.890 176.921 174.900 0.217 0.000 1.146 214 G CA 0.820 46.007 45.100 0.144 0.000 0.769 214 G HN 0.454 nan 8.290 nan 0.000 0.547 215 A N 1.155 124.066 122.820 0.151 0.000 1.873 215 A HA -0.051 4.269 4.320 -0.001 0.000 0.215 215 A C 2.312 180.070 177.584 0.290 0.000 1.186 215 A CA 1.924 54.044 52.037 0.138 0.000 0.616 215 A CB -0.391 18.542 19.000 -0.111 0.000 0.823 215 A HN 0.343 nan 8.150 nan 0.000 0.442 216 N N 0.130 119.015 118.700 0.309 0.000 2.148 216 N HA 0.021 4.760 4.740 -0.001 0.000 0.186 216 N C 1.874 177.628 175.510 0.406 0.000 1.031 216 N CA 1.678 54.945 53.050 0.361 0.000 0.848 216 N CB -0.613 38.026 38.487 0.254 0.000 1.005 216 N HN 0.410 nan 8.380 nan 0.000 0.427 217 A N 0.284 123.327 122.820 0.371 0.000 1.929 217 A HA 0.110 4.429 4.320 -0.001 0.000 0.216 217 A C 2.237 180.079 177.584 0.430 0.000 1.176 217 A CA 1.616 53.937 52.037 0.473 0.000 0.628 217 A CB -1.048 18.348 19.000 0.661 0.000 0.816 217 A HN 0.342 nan 8.150 nan 0.000 0.444 218 G N -0.845 108.072 108.800 0.194 0.000 2.471 218 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.219 218 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.219 218 G C 1.547 176.268 174.900 -0.297 0.000 1.125 218 G CA 1.091 46.081 45.100 -0.182 0.000 0.775 218 G HN 0.457 nan 8.290 nan 0.000 0.548 219 S N 0.631 116.345 115.700 0.024 0.000 2.507 219 S HA 0.088 4.557 4.470 -0.001 0.000 0.235 219 S C 2.567 176.939 174.600 -0.379 0.000 0.988 219 S CA 0.732 58.809 58.200 -0.206 0.000 0.944 219 S CB -0.082 62.956 63.200 -0.271 0.000 0.762 219 S HN 0.574 nan 8.310 nan 0.000 0.526 220 A N 0.730 123.563 122.820 0.023 0.000 2.014 220 A HA 0.357 4.676 4.320 -0.001 0.000 0.218 220 A C 1.948 179.533 177.584 0.002 0.000 1.163 220 A CA 1.184 53.308 52.037 0.145 0.000 0.652 220 A CB -0.907 18.278 19.000 0.308 0.000 0.808 220 A HN 0.900 nan 8.150 nan 0.000 0.449 221 G N -2.342 106.413 108.800 -0.074 0.000 2.162 221 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.260 221 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.260 221 G C 0.414 175.309 174.900 -0.008 0.000 0.976 221 G CA 1.218 46.254 45.100 -0.106 0.000 0.655 221 G HN 1.734 nan 8.290 nan 0.000 0.533 222 T N -2.033 112.570 114.554 0.081 0.000 2.977 222 T HA 0.655 5.004 4.350 -0.001 0.000 0.345 222 T C -0.153 174.488 174.700 -0.100 0.000 1.562 222 T CA 0.611 62.730 62.100 0.033 0.000 1.090 222 T CB 0.926 69.781 68.868 -0.023 0.000 1.383 222 T HN 1.733 nan 8.240 nan 0.000 0.484 223 A N 4.187 126.804 122.820 -0.339 0.000 3.077 223 A HA 0.444 4.763 4.320 -0.001 0.000 0.255 223 A C 0.711 178.078 177.584 -0.361 0.000 1.728 223 A CA -0.396 51.204 52.037 -0.729 0.000 1.383 223 A CB -1.258 17.240 19.000 -0.837 0.000 1.097 223 A HN 0.786 nan 8.150 nan 0.000 0.634 224 N N -0.361 118.206 118.700 -0.222 0.000 2.938 224 N HA 0.126 4.865 4.740 -0.001 0.000 0.335 224 N C 0.879 176.328 175.510 -0.102 0.000 1.358 224 N CA -0.097 52.876 53.050 -0.128 0.000 0.812 224 N CB 0.149 38.597 38.487 -0.065 0.000 1.233 224 N HN 0.233 nan 8.380 nan 0.000 0.593 225 E N -0.241 119.922 120.200 -0.062 0.000 2.358 225 E HA -0.066 4.284 4.350 -0.001 0.000 0.195 225 E C 1.351 177.932 176.600 -0.031 0.000 1.010 225 E CA 0.602 56.973 56.400 -0.048 0.000 0.856 225 E CB -0.183 29.494 29.700 -0.038 0.000 0.795 225 E HN 0.544 nan 8.360 nan 0.000 0.504 226 I N 1.942 122.504 120.570 -0.014 0.000 2.333 226 I HA -0.074 4.096 4.170 -0.001 0.000 0.246 226 I C 2.683 178.810 176.117 0.018 0.000 1.106 226 I CA 1.077 62.367 61.300 -0.018 0.000 1.411 226 I CB -1.567 36.455 38.000 0.036 0.000 1.082 226 I HN 0.116 nan 8.210 nan 0.000 0.420 227 A N 1.261 124.129 122.820 0.080 0.000 1.908 227 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 227 A C 2.593 180.274 177.584 0.161 0.000 1.181 227 A CA 2.197 54.335 52.037 0.168 0.000 0.627 227 A CB -0.793 18.259 19.000 0.086 0.000 0.818 227 A HN 0.412 nan 8.150 nan 0.000 0.445 228 A N -0.499 122.345 122.820 0.041 0.000 1.877 228 A HA -0.047 4.273 4.320 -0.001 0.000 0.216 228 A C 2.144 179.783 177.584 0.091 0.000 1.186 228 A CA 1.762 53.819 52.037 0.033 0.000 0.620 228 A CB -0.721 18.248 19.000 -0.051 0.000 0.822 228 A HN 0.726 nan 8.150 nan 0.000 0.443 229 L N -0.094 121.147 121.223 0.030 0.000 2.013 229 L HA -0.161 4.179 4.340 -0.001 0.000 0.212 229 L C 2.682 179.566 176.870 0.023 0.000 1.073 229 L CA 2.500 57.342 54.840 0.003 0.000 0.753 229 L CB -0.781 41.237 42.059 -0.068 0.000 0.890 229 L HN 0.356 nan 8.230 nan 0.000 0.432 230 A N -1.479 121.344 122.820 0.005 0.000 1.930 230 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 230 A C 2.229 179.912 177.584 0.164 0.000 1.175 230 A CA 1.626 53.666 52.037 0.006 0.000 0.627 230 A CB -1.073 17.927 19.000 0.001 0.000 0.815 230 A HN 0.520 nan 8.150 nan 0.000 0.443 231 F N 0.620 120.659 119.950 0.147 0.000 2.075 231 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 231 F C 2.379 178.314 175.800 0.224 0.000 1.113 231 F CA 2.081 60.236 58.000 0.258 0.000 1.218 231 F CB -0.386 38.722 39.000 0.179 0.000 0.984 231 F HN 0.038 nan 8.300 nan 0.000 0.472 232 V N 0.618 120.780 119.914 0.415 0.000 2.343 232 V HA -0.325 3.795 4.120 -0.001 0.000 0.247 232 V C 2.188 178.378 176.094 0.160 0.000 1.051 232 V CA 2.080 64.542 62.300 0.271 0.000 1.036 232 V CB -0.855 31.058 31.823 0.150 0.000 0.654 232 V HN 0.348 nan 8.190 nan 0.000 0.451 233 N N 0.137 118.892 118.700 0.092 0.000 2.149 233 N HA -0.144 4.595 4.740 -0.001 0.000 0.188 233 N C 1.909 177.416 175.510 -0.006 0.000 1.019 233 N CA 1.945 55.006 53.050 0.018 0.000 0.857 233 N CB -0.593 37.879 38.487 -0.024 0.000 0.997 233 N HN 0.472 nan 8.380 nan 0.000 0.426 234 T N 0.828 115.378 114.554 -0.007 0.000 2.708 234 T HA -0.046 4.303 4.350 -0.001 0.000 0.266 234 T C 2.164 176.844 174.700 -0.034 0.000 1.037 234 T CA 0.874 62.888 62.100 -0.143 0.000 1.146 234 T CB -0.308 68.339 68.868 -0.368 0.000 0.865 234 T HN -0.023 nan 8.240 nan 0.000 0.435 235 V N 1.240 121.267 119.914 0.189 0.000 2.295 235 V HA -0.151 3.968 4.120 -0.001 0.000 0.246 235 V C 2.656 178.836 176.094 0.144 0.000 1.049 235 V CA 1.402 63.877 62.300 0.292 0.000 1.024 235 V CB -0.723 31.293 31.823 0.322 0.000 0.648 235 V HN 0.314 nan 8.190 nan 0.000 0.447 236 V N 0.158 120.120 119.914 0.080 0.000 2.307 236 V HA -0.195 3.925 4.120 -0.001 0.000 0.245 236 V C 2.656 178.738 176.094 -0.020 0.000 1.045 236 V CA 1.981 64.296 62.300 0.025 0.000 1.024 236 V CB -1.029 30.798 31.823 0.007 0.000 0.651 236 V HN 0.550 nan 8.190 nan 0.000 0.449 237 A N -0.291 122.500 122.820 -0.049 0.000 1.929 237 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 237 A C 2.379 179.901 177.584 -0.104 0.000 1.176 237 A CA 2.178 54.161 52.037 -0.091 0.000 0.628 237 A CB -0.829 18.099 19.000 -0.120 0.000 0.816 237 A HN 0.503 nan 8.150 nan 0.000 0.444 238 T N 0.482 114.973 114.554 -0.106 0.000 2.708 238 T HA -0.028 4.322 4.350 -0.001 0.000 0.266 238 T C 2.252 176.890 174.700 -0.103 0.000 1.037 238 T CA 1.590 63.612 62.100 -0.131 0.000 1.146 238 T CB -0.474 68.347 68.868 -0.078 0.000 0.865 238 T HN 0.573 nan 8.240 nan 0.000 0.435 239 A N 1.523 124.310 122.820 -0.056 0.000 1.902 239 A HA 0.143 4.462 4.320 -0.001 0.000 0.217 239 A C 2.645 180.208 177.584 -0.035 0.000 1.181 239 A CA 1.862 53.872 52.037 -0.045 0.000 0.623 239 A CB -1.114 17.881 19.000 -0.009 0.000 0.818 239 A HN 0.513 nan 8.150 nan 0.000 0.443 240 A N -0.349 122.450 122.820 -0.035 0.000 1.930 240 A HA 0.214 4.534 4.320 -0.001 0.000 0.217 240 A C 2.451 180.030 177.584 -0.008 0.000 1.175 240 A CA 1.921 53.939 52.037 -0.030 0.000 0.627 240 A CB -0.842 18.128 19.000 -0.049 0.000 0.815 240 A HN 1.004 nan 8.150 nan 0.000 0.443 241 A N -0.108 122.702 122.820 -0.016 0.000 1.929 241 A HA 0.015 4.335 4.320 -0.001 0.000 0.216 241 A C 2.073 179.707 177.584 0.083 0.000 1.176 241 A CA 1.273 53.328 52.037 0.029 0.000 0.628 241 A CB -0.544 18.448 19.000 -0.014 0.000 0.816 241 A HN 0.471 nan 8.150 nan 0.000 0.444 242 I N -0.124 120.454 120.570 0.013 0.000 2.127 242 I HA -0.298 3.872 4.170 -0.001 0.000 0.241 242 I C 2.366 178.541 176.117 0.096 0.000 1.075 242 I CA 1.378 62.690 61.300 0.019 0.000 1.334 242 I CB -0.373 37.597 38.000 -0.049 0.000 1.040 242 I HN 0.289 nan 8.210 nan 0.000 0.405 243 L N 0.202 121.465 121.223 0.067 0.000 2.083 243 L HA -0.125 4.214 4.340 -0.001 0.000 0.209 243 L C 2.682 179.643 176.870 0.152 0.000 1.083 243 L CA 1.492 56.383 54.840 0.086 0.000 0.752 243 L CB -1.227 40.849 42.059 0.027 0.000 0.899 243 L HN 0.339 nan 8.230 nan 0.000 0.433 244 G N -0.626 108.258 108.800 0.140 0.000 2.421 244 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.216 244 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.216 244 G C 1.363 176.421 174.900 0.264 0.000 1.171 244 G CA 0.295 45.496 45.100 0.168 0.000 0.775 244 G HN 0.402 nan 8.290 nan 0.000 0.543 245 W N 1.209 122.562 121.300 0.087 0.000 2.354 245 W HA -0.091 4.568 4.660 -0.001 0.000 0.315 245 W C 2.202 178.789 176.519 0.114 0.000 1.206 245 W CA 0.949 58.347 57.345 0.089 0.000 1.290 245 W CB -0.449 29.041 29.460 0.048 0.000 1.152 245 W HN 0.107 nan 8.180 nan 0.000 0.489 246 I N 0.307 121.151 120.570 0.458 0.000 2.264 246 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 246 I C 2.444 178.745 176.117 0.307 0.000 1.111 246 I CA 1.458 62.960 61.300 0.337 0.000 1.382 246 I CB -1.813 36.312 38.000 0.209 0.000 1.060 246 I HN -0.084 nan 8.210 nan 0.000 0.418 247 F N 1.850 121.902 119.950 0.170 0.000 2.146 247 F HA -0.078 4.449 4.527 -0.001 0.000 0.298 247 F C 2.419 178.373 175.800 0.257 0.000 1.096 247 F CA 1.700 59.807 58.000 0.177 0.000 1.275 247 F CB -0.654 38.397 39.000 0.085 0.000 1.008 247 F HN 0.041 nan 8.300 nan 0.000 0.480 248 G N -0.487 108.428 108.800 0.191 0.000 2.422 248 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.218 248 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.218 248 G C 1.552 176.424 174.900 -0.046 0.000 1.146 248 G CA 0.817 45.931 45.100 0.023 0.000 0.769 248 G HN 0.488 nan 8.290 nan 0.000 0.547 249 E N -0.645 119.585 120.200 0.049 0.000 2.047 249 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 249 E C 2.053 178.684 176.600 0.051 0.000 0.987 249 E CA 0.911 57.359 56.400 0.081 0.000 0.799 249 E CB -0.311 29.537 29.700 0.247 0.000 0.752 249 E HN 0.581 nan 8.360 nan 0.000 0.449 250 W N 1.078 122.314 121.300 -0.107 0.000 2.342 250 W HA -0.196 4.464 4.660 -0.001 0.000 0.297 250 W C 2.017 178.397 176.519 -0.232 0.000 1.213 250 W CA 2.252 59.506 57.345 -0.152 0.000 1.251 250 W CB -0.294 29.071 29.460 -0.158 0.000 1.136 250 W HN 0.155 nan 8.180 nan 0.000 0.526 251 A N 0.133 122.758 122.820 -0.324 0.000 1.872 251 A HA -0.091 4.229 4.320 -0.001 0.000 0.214 251 A C 2.073 179.423 177.584 -0.391 0.000 1.187 251 A CA 1.686 53.401 52.037 -0.537 0.000 0.614 251 A CB -0.874 17.894 19.000 -0.386 0.000 0.826 251 A HN 0.387 nan 8.150 nan 0.000 0.442 252 L N -2.089 118.992 121.223 -0.237 0.000 2.162 252 L HA 0.052 4.391 4.340 -0.001 0.000 0.205 252 L C 2.558 179.331 176.870 -0.160 0.000 1.086 252 L CA 0.972 55.714 54.840 -0.164 0.000 0.778 252 L CB -0.143 41.854 42.059 -0.104 0.000 0.928 252 L HN 0.263 nan 8.230 nan 0.000 0.446 253 R N -1.186 119.222 120.500 -0.154 0.000 2.373 253 R HA 0.219 4.559 4.340 -0.001 0.000 0.221 253 R C 1.223 177.434 176.300 -0.149 0.000 0.893 253 R CA 0.586 56.619 56.100 -0.111 0.000 1.049 253 R CB 0.973 31.250 30.300 -0.038 0.000 1.119 253 R HN 0.334 nan 8.270 nan 0.000 0.535 254 G N 1.795 110.433 108.800 -0.271 0.000 2.241 254 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.244 254 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.244 254 G C -0.111 174.681 174.900 -0.180 0.000 0.998 254 G CA 0.513 45.407 45.100 -0.344 0.000 0.621 254 G HN 0.370 nan 8.290 nan 0.000 0.519 255 K N -0.318 120.068 120.400 -0.023 0.000 2.562 255 K HA 0.641 4.960 4.320 -0.001 0.000 0.267 255 K C -3.362 173.318 176.600 0.134 0.000 0.938 255 K CA -1.876 54.480 56.287 0.116 0.000 0.840 255 K CB 2.824 35.365 32.500 0.068 0.000 1.390 255 K HN 0.051 nan 8.250 nan 0.000 0.428 256 P HA 0.035 nan 4.420 nan 0.000 0.272 256 P C -0.715 176.639 177.300 0.089 0.000 1.240 256 P CA -0.270 62.915 63.100 0.142 0.000 0.791 256 P CB 1.097 32.871 31.700 0.123 0.000 0.978 257 S N -0.019 115.729 115.700 0.079 0.000 2.595 257 S HA 0.279 4.748 4.470 -0.001 0.000 0.281 257 S C 0.642 175.240 174.600 -0.004 0.000 1.117 257 S CA -0.714 57.506 58.200 0.034 0.000 0.873 257 S CB 1.107 64.333 63.200 0.043 0.000 1.108 257 S HN 0.240 nan 8.310 nan 0.000 0.477 258 L N 1.242 122.446 121.223 -0.033 0.000 2.046 258 L HA 0.135 4.475 4.340 -0.001 0.000 0.208 258 L C 2.066 178.894 176.870 -0.069 0.000 1.077 258 L CA 1.754 56.560 54.840 -0.056 0.000 0.747 258 L CB -1.063 40.951 42.059 -0.075 0.000 0.896 258 L HN 0.849 nan 8.230 nan 0.000 0.432 259 L N -0.260 120.919 121.223 -0.075 0.000 2.083 259 L HA 0.003 4.343 4.340 -0.001 0.000 0.209 259 L C 2.317 179.061 176.870 -0.209 0.000 1.083 259 L CA 1.963 56.733 54.840 -0.117 0.000 0.752 259 L CB -1.398 40.611 42.059 -0.083 0.000 0.899 259 L HN 0.317 nan 8.230 nan 0.000 0.433 260 G N -0.953 107.756 108.800 -0.152 0.000 2.459 260 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.217 260 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.217 260 G C 1.635 176.180 174.900 -0.592 0.000 1.183 260 G CA 1.049 45.959 45.100 -0.317 0.000 0.776 260 G HN 0.625 nan 8.290 nan 0.000 0.552 261 A N -0.066 122.613 122.820 -0.236 0.000 1.892 261 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 261 A C 2.629 180.073 177.584 -0.234 0.000 1.188 261 A CA 2.060 53.993 52.037 -0.174 0.000 0.631 261 A CB -1.139 17.823 19.000 -0.063 0.000 0.822 261 A HN 0.457 nan 8.150 nan 0.000 0.447 262 C N -0.795 118.388 119.300 -0.194 0.000 2.429 262 C HA -0.044 4.415 4.460 -0.001 0.000 0.277 262 C C 3.277 178.121 174.990 -0.243 0.000 1.262 262 C CA 1.275 60.215 59.018 -0.131 0.000 1.733 262 C CB -1.260 26.466 27.740 -0.023 0.000 2.010 262 C HN 0.637 nan 8.230 nan 0.000 0.483 263 S N 0.753 116.161 115.700 -0.485 0.000 2.383 263 S HA -0.051 4.418 4.470 -0.001 0.000 0.227 263 S C 2.075 176.168 174.600 -0.845 0.000 1.026 263 S CA 1.387 59.153 58.200 -0.722 0.000 0.981 263 S CB -0.671 61.791 63.200 -1.229 0.000 0.818 263 S HN 0.763 nan 8.310 nan 0.000 0.472 264 G N 1.726 109.981 108.800 -0.909 0.000 2.446 264 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.217 264 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.217 264 G C 1.602 176.396 174.900 -0.176 0.000 1.168 264 G CA 0.956 45.893 45.100 -0.273 0.000 0.771 264 G HN 0.578 nan 8.290 nan 0.000 0.551 265 A N 1.070 123.748 122.820 -0.236 0.000 1.873 265 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 265 A C 2.361 179.767 177.584 -0.296 0.000 1.193 265 A CA 1.712 53.601 52.037 -0.246 0.000 0.629 265 A CB -0.375 18.473 19.000 -0.254 0.000 0.826 265 A HN 0.289 nan 8.150 nan 0.000 0.447 266 I N -0.045 120.355 120.570 -0.285 0.000 2.226 266 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 266 I C 2.946 178.843 176.117 -0.367 0.000 1.100 266 I CA 1.419 62.516 61.300 -0.338 0.000 1.374 266 I CB -1.733 36.105 38.000 -0.269 0.000 1.057 266 I HN 0.378 nan 8.210 nan 0.000 0.413 267 A N 1.097 123.784 122.820 -0.221 0.000 1.908 267 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 267 A C 2.526 180.009 177.584 -0.168 0.000 1.181 267 A CA 2.032 54.005 52.037 -0.107 0.000 0.627 267 A CB -1.336 17.760 19.000 0.159 0.000 0.818 267 A HN 0.432 nan 8.150 nan 0.000 0.445 268 G N -0.434 108.251 108.800 -0.192 0.000 2.402 268 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.216 268 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.216 268 G C 1.560 176.246 174.900 -0.357 0.000 1.162 268 G CA 0.952 45.925 45.100 -0.212 0.000 0.777 268 G HN 0.422 nan 8.290 nan 0.000 0.539 269 L N 0.238 121.108 121.223 -0.589 0.000 2.046 269 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 269 L C 3.000 179.351 176.870 -0.865 0.000 1.077 269 L CA 0.565 54.760 54.840 -1.075 0.000 0.747 269 L CB -0.451 40.464 42.059 -1.907 0.000 0.896 269 L HN 0.091 nan 8.230 nan 0.000 0.432 270 V N -0.047 119.499 119.914 -0.614 0.000 2.307 270 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 270 V C 2.628 178.610 176.094 -0.186 0.000 1.045 270 V CA 1.988 64.052 62.300 -0.392 0.000 1.024 270 V CB -1.337 30.221 31.823 -0.442 0.000 0.651 270 V HN 0.565 nan 8.190 nan 0.000 0.449 271 G N -0.847 107.855 108.800 -0.164 0.000 2.442 271 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 271 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 271 G C 1.683 176.565 174.900 -0.028 0.000 1.141 271 G CA 1.275 46.334 45.100 -0.069 0.000 0.763 271 G HN 0.394 nan 8.290 nan 0.000 0.554 272 V N 0.403 120.270 119.914 -0.080 0.000 3.235 272 V HA -0.016 4.104 4.120 -0.001 0.000 0.259 272 V C 2.899 179.034 176.094 0.068 0.000 1.133 272 V CA 1.949 64.227 62.300 -0.036 0.000 1.128 272 V CB -0.367 31.390 31.823 -0.111 0.000 0.757 272 V HN 0.390 nan 8.190 nan 0.000 0.469 273 T N 2.043 116.673 114.554 0.126 0.000 2.624 273 T HA -0.137 4.213 4.350 -0.001 0.000 0.268 273 T C -0.215 174.717 174.700 0.386 0.000 1.041 273 T CA 2.322 64.624 62.100 0.338 0.000 1.159 273 T CB -1.286 67.891 68.868 0.515 0.000 0.863 273 T HN 0.543 nan 8.240 nan 0.000 0.434 274 P HA 0.158 nan 4.420 nan 0.000 0.225 274 P C 0.928 178.494 177.300 0.443 0.000 1.156 274 P CA 1.022 64.364 63.100 0.403 0.000 0.787 274 P CB -0.016 31.869 31.700 0.308 0.000 0.802 275 A N -0.137 122.868 122.820 0.308 0.000 2.085 275 A HA 0.001 4.321 4.320 -0.001 0.000 0.208 275 A C 2.404 180.047 177.584 0.098 0.000 1.191 275 A CA 0.755 52.953 52.037 0.268 0.000 0.799 275 A CB -1.603 17.502 19.000 0.175 0.000 0.877 275 A HN 0.371 nan 8.150 nan 0.000 0.473 276 C N -0.958 118.354 119.300 0.021 0.000 2.391 276 C HA -0.052 4.408 4.460 -0.001 0.000 0.276 276 C C 2.481 177.227 174.990 -0.407 0.000 1.217 276 C CA 0.835 59.780 59.018 -0.122 0.000 1.766 276 C CB -1.796 25.926 27.740 -0.030 0.000 2.046 276 C HN 0.523 nan 8.230 nan 0.000 0.475 277 G N -2.071 106.110 108.800 -1.031 0.000 2.920 277 G HA2 0.218 4.178 3.960 -0.001 0.000 0.208 277 G HA3 0.218 4.178 3.960 -0.001 0.000 0.208 277 G C 0.876 175.186 174.900 -0.982 0.000 1.159 277 G CA 0.483 44.583 45.100 -1.667 0.000 0.784 277 G HN 0.697 nan 8.290 nan 0.000 0.535 278 Y N -0.279 119.875 120.300 -0.243 0.000 2.432 278 Y HA 0.363 4.912 4.550 -0.001 0.000 0.252 278 Y C 1.130 176.996 175.900 -0.056 0.000 1.097 278 Y CA -1.508 56.543 58.100 -0.081 0.000 1.250 278 Y CB 0.293 38.768 38.460 0.025 0.000 1.245 278 Y HN 0.211 nan 8.280 nan 0.000 0.522 279 I N -1.921 118.690 120.570 0.067 0.000 2.982 279 I HA 0.902 5.072 4.170 -0.001 0.000 0.312 279 I C 0.612 176.738 176.117 0.015 0.000 1.041 279 I CA -1.247 60.093 61.300 0.067 0.000 1.053 279 I CB 1.459 39.506 38.000 0.078 0.000 1.248 279 I HN -0.007 nan 8.210 nan 0.000 0.471 280 G N 1.035 109.852 108.800 0.029 0.000 2.528 280 G HA2 0.396 4.355 3.960 -0.001 0.000 0.289 280 G HA3 0.396 4.355 3.960 -0.001 0.000 0.289 280 G C 0.907 175.796 174.900 -0.018 0.000 1.192 280 G CA -0.169 44.935 45.100 0.008 0.000 0.921 280 G HN 0.928 nan 8.290 nan 0.000 0.512 281 V N -0.727 119.177 119.914 -0.017 0.000 2.594 281 V HA -0.014 4.106 4.120 -0.001 0.000 0.253 281 V C 2.450 178.513 176.094 -0.052 0.000 1.069 281 V CA 2.196 64.480 62.300 -0.027 0.000 1.082 281 V CB -1.159 30.660 31.823 -0.007 0.000 0.680 281 V HN 0.738 nan 8.190 nan 0.000 0.469 282 G N 0.837 109.612 108.800 -0.041 0.000 2.418 282 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.217 282 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.217 282 G C 1.544 176.346 174.900 -0.163 0.000 1.158 282 G CA 0.796 45.863 45.100 -0.056 0.000 0.771 282 G HN 0.736 nan 8.290 nan 0.000 0.545 283 G N 0.939 109.615 108.800 -0.207 0.000 2.422 283 G HA2 0.099 4.059 3.960 -0.001 0.000 0.218 283 G HA3 0.099 4.059 3.960 -0.001 0.000 0.218 283 G C 2.008 176.609 174.900 -0.498 0.000 1.140 283 G CA 1.430 46.160 45.100 -0.617 0.000 0.775 283 G HN 0.620 nan 8.290 nan 0.000 0.545 284 A N 0.498 123.175 122.820 -0.240 0.000 1.902 284 A HA 0.091 4.411 4.320 -0.001 0.000 0.217 284 A C 2.361 179.844 177.584 -0.167 0.000 1.181 284 A CA 1.397 53.334 52.037 -0.168 0.000 0.623 284 A CB -0.442 18.503 19.000 -0.092 0.000 0.818 284 A HN 0.380 nan 8.150 nan 0.000 0.443 285 L N -0.463 120.668 121.223 -0.154 0.000 2.046 285 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 285 L C 2.371 179.148 176.870 -0.156 0.000 1.077 285 L CA 1.522 56.287 54.840 -0.124 0.000 0.747 285 L CB -0.215 41.789 42.059 -0.093 0.000 0.896 285 L HN 0.443 nan 8.230 nan 0.000 0.432 286 I N -0.612 119.811 120.570 -0.245 0.000 2.202 286 I HA -0.316 3.853 4.170 -0.001 0.000 0.242 286 I C 2.336 178.313 176.117 -0.234 0.000 1.091 286 I CA 1.350 62.497 61.300 -0.255 0.000 1.368 286 I CB -0.230 37.547 38.000 -0.372 0.000 1.058 286 I HN 0.201 nan 8.210 nan 0.000 0.410 287 I N 0.805 121.187 120.570 -0.313 0.000 2.163 287 I HA -0.248 3.922 4.170 -0.001 0.000 0.243 287 I C 2.707 178.759 176.117 -0.108 0.000 1.085 287 I CA 1.720 62.912 61.300 -0.180 0.000 1.347 287 I CB -0.984 36.916 38.000 -0.166 0.000 1.044 287 I HN 0.288 nan 8.210 nan 0.000 0.408 288 G N 0.607 109.338 108.800 -0.115 0.000 2.491 288 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 288 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 288 G C 1.705 176.579 174.900 -0.043 0.000 1.180 288 G CA 1.180 46.231 45.100 -0.081 0.000 0.774 288 G HN 0.248 nan 8.290 nan 0.000 0.562 289 V N 0.381 120.266 119.914 -0.048 0.000 2.287 289 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 289 V C 3.071 179.161 176.094 -0.007 0.000 1.053 289 V CA 1.688 63.975 62.300 -0.021 0.000 1.027 289 V CB -0.504 31.293 31.823 -0.042 0.000 0.646 289 V HN 0.254 nan 8.190 nan 0.000 0.447 290 V N 0.110 120.010 119.914 -0.024 0.000 2.358 290 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 290 V C 2.659 178.750 176.094 -0.004 0.000 1.047 290 V CA 1.915 64.206 62.300 -0.015 0.000 1.035 290 V CB -1.071 30.745 31.823 -0.011 0.000 0.658 290 V HN 0.561 nan 8.190 nan 0.000 0.452 291 A N 0.566 123.383 122.820 -0.003 0.000 1.902 291 A HA -0.070 4.249 4.320 -0.001 0.000 0.217 291 A C 2.437 180.061 177.584 0.068 0.000 1.181 291 A CA 1.890 53.934 52.037 0.013 0.000 0.623 291 A CB -1.254 17.733 19.000 -0.020 0.000 0.818 291 A HN 0.512 nan 8.150 nan 0.000 0.443 292 G N -0.133 108.723 108.800 0.094 0.000 2.446 292 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.217 292 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.217 292 G C 1.567 176.533 174.900 0.110 0.000 1.168 292 G CA 1.133 46.366 45.100 0.222 0.000 0.771 292 G HN 0.432 nan 8.290 nan 0.000 0.551 293 L N 0.507 121.745 121.223 0.026 0.000 2.072 293 L HA 0.030 4.369 4.340 -0.001 0.000 0.205 293 L C 3.400 180.238 176.870 -0.052 0.000 1.079 293 L CA 0.915 55.728 54.840 -0.046 0.000 0.752 293 L CB -0.383 41.677 42.059 0.001 0.000 0.906 293 L HN 0.300 nan 8.230 nan 0.000 0.436 294 A N 0.351 123.170 122.820 -0.002 0.000 1.933 294 A HA -0.105 4.215 4.320 -0.001 0.000 0.218 294 A C 2.398 180.061 177.584 0.132 0.000 1.175 294 A CA 1.623 53.695 52.037 0.059 0.000 0.628 294 A CB -1.214 17.796 19.000 0.016 0.000 0.814 294 A HN 0.434 nan 8.150 nan 0.000 0.444 295 G N -0.019 108.815 108.800 0.057 0.000 2.446 295 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.217 295 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.217 295 G C 1.497 176.231 174.900 -0.276 0.000 1.168 295 G CA 1.287 46.447 45.100 0.099 0.000 0.771 295 G HN 0.537 nan 8.290 nan 0.000 0.551 296 L N -0.555 120.142 121.223 -0.877 0.000 2.056 296 L HA 0.089 4.429 4.340 -0.001 0.000 0.207 296 L C 2.434 179.077 176.870 -0.379 0.000 1.078 296 L CA 1.702 55.836 54.840 -1.177 0.000 0.749 296 L CB -0.688 40.557 42.059 -1.357 0.000 0.901 296 L HN 0.458 nan 8.230 nan 0.000 0.433 297 W N 0.459 121.568 121.300 -0.317 0.000 2.358 297 W HA -0.078 4.582 4.660 -0.001 0.000 0.303 297 W C 2.216 178.684 176.519 -0.086 0.000 1.208 297 W CA 2.289 59.541 57.345 -0.156 0.000 1.274 297 W CB -0.750 28.648 29.460 -0.103 0.000 1.138 297 W HN 0.211 nan 8.180 nan 0.000 0.515 298 G N 0.646 109.446 108.800 -0.001 0.000 2.446 298 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.217 298 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.217 298 G C 1.434 176.227 174.900 -0.178 0.000 1.168 298 G CA 2.417 47.424 45.100 -0.154 0.000 0.771 298 G HN 0.554 nan 8.290 nan 0.000 0.551 299 V N -1.780 118.099 119.914 -0.059 0.000 2.871 299 V HA 0.000 4.120 4.120 -0.001 0.000 0.256 299 V C 2.502 178.556 176.094 -0.066 0.000 1.082 299 V CA 2.329 64.640 62.300 0.019 0.000 1.105 299 V CB -0.813 31.126 31.823 0.194 0.000 0.713 299 V HN 0.229 nan 8.190 nan 0.000 0.473 300 T N 1.106 115.558 114.554 -0.169 0.000 2.809 300 T HA 0.199 4.548 4.350 -0.001 0.000 0.260 300 T C 1.037 175.591 174.700 -0.244 0.000 1.039 300 T CA 1.316 63.310 62.100 -0.177 0.000 1.141 300 T CB -0.198 68.564 68.868 -0.177 0.000 0.869 300 T HN 0.350 nan 8.240 nan 0.000 0.437 311 P HA 0.216 nan 4.420 nan 0.000 0.282 311 P C 0.227 177.613 177.300 0.143 0.000 1.262 311 P CA -0.147 62.989 63.100 0.060 0.000 0.773 311 P CB 0.688 32.380 31.700 -0.013 0.000 0.879 312 C N 2.185 121.584 119.300 0.164 0.000 4.165 312 C HA -0.157 4.303 4.460 -0.001 0.000 0.299 312 C C 0.459 175.637 174.990 0.313 0.000 1.445 312 C CA 0.810 59.989 59.018 0.268 0.000 2.029 312 C CB -3.218 24.795 27.740 0.456 0.000 1.288 312 C HN 0.768 nan 8.230 nan 0.000 0.752 313 D N -1.911 118.635 120.400 0.244 0.000 2.704 313 D HA -0.174 4.466 4.640 -0.001 0.000 0.232 313 D C 0.824 177.321 176.300 0.329 0.000 1.183 313 D CA 1.094 55.250 54.000 0.261 0.000 0.647 313 D CB -0.829 40.116 40.800 0.241 0.000 1.013 313 D HN 0.626 nan 8.370 nan 0.000 0.415 314 V N -0.340 119.779 119.914 0.342 0.000 2.244 314 V HA -0.223 3.896 4.120 -0.001 0.000 0.244 314 V C 1.940 178.279 176.094 0.410 0.000 1.042 314 V CA 2.014 64.544 62.300 0.384 0.000 1.006 314 V CB -0.302 31.690 31.823 0.282 0.000 0.641 314 V HN 0.374 nan 8.190 nan 0.000 0.446 315 F N 1.757 121.840 119.950 0.221 0.000 2.146 315 F HA 0.091 4.618 4.527 0.000 0.000 0.298 315 F C 2.194 178.117 175.800 0.206 0.000 1.096 315 F CA 1.758 59.884 58.000 0.209 0.000 1.275 315 F CB -1.005 38.087 39.000 0.154 0.000 1.008 315 F HN 0.230 nan 8.300 nan 0.000 0.480 316 G N -0.148 108.814 108.800 0.270 0.000 2.545 316 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.222 316 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.222 316 G C 1.470 176.428 174.900 0.096 0.000 1.126 316 G CA 1.776 46.969 45.100 0.156 0.000 0.754 316 G HN 0.390 nan 8.290 nan 0.000 0.583 317 V N -1.335 118.658 119.914 0.132 0.000 2.840 317 V HA 0.099 4.219 4.120 -0.001 0.000 0.234 317 V C 2.223 178.300 176.094 -0.029 0.000 1.159 317 V CA 0.709 63.056 62.300 0.078 0.000 1.194 317 V CB -0.518 31.358 31.823 0.087 0.000 0.971 317 V HN 0.339 nan 8.190 nan 0.000 0.494 318 H N 0.682 119.803 119.070 0.085 0.000 2.389 318 H HA -0.057 4.499 4.556 -0.001 0.000 0.299 318 H C 2.269 177.632 175.328 0.059 0.000 1.081 318 H CA 1.756 57.880 56.048 0.126 0.000 1.345 318 H CB -0.144 29.776 29.762 0.262 0.000 1.393 318 H HN 0.490 nan 8.280 nan 0.000 0.520 319 G N 0.353 109.143 108.800 -0.017 0.000 2.425 319 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.213 319 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.213 319 G C 1.936 176.569 174.900 -0.446 0.000 1.201 319 G CA 0.812 45.700 45.100 -0.353 0.000 0.799 319 G HN 0.207 nan 8.290 nan 0.000 0.534 320 V N 0.863 120.438 119.914 -0.565 0.000 2.255 320 V HA -0.235 3.884 4.120 -0.001 0.000 0.247 320 V C 3.039 179.093 176.094 -0.067 0.000 1.051 320 V CA 1.949 64.111 62.300 -0.230 0.000 1.018 320 V CB -0.787 31.003 31.823 -0.055 0.000 0.641 320 V HN 0.501 nan 8.190 nan 0.000 0.445 321 C N 0.750 120.021 119.300 -0.049 0.000 2.448 321 C HA 0.068 4.527 4.460 -0.001 0.000 0.280 321 C C 2.827 177.815 174.990 -0.004 0.000 1.398 321 C CA 0.323 59.327 59.018 -0.024 0.000 1.774 321 C CB -1.706 26.003 27.740 -0.051 0.000 1.888 321 C HN 0.696 nan 8.230 nan 0.000 0.519 322 G N 0.831 109.646 108.800 0.025 0.000 2.402 322 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.216 322 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.216 322 G C 1.462 176.423 174.900 0.102 0.000 1.162 322 G CA 0.598 45.761 45.100 0.106 0.000 0.777 322 G HN 0.508 nan 8.290 nan 0.000 0.539 323 I N 0.274 120.888 120.570 0.073 0.000 2.202 323 I HA -0.138 4.032 4.170 -0.001 0.000 0.242 323 I C 2.792 178.949 176.117 0.067 0.000 1.091 323 I CA 0.432 61.780 61.300 0.080 0.000 1.368 323 I CB -0.245 37.803 38.000 0.079 0.000 1.058 323 I HN 0.013 nan 8.210 nan 0.000 0.410 324 V N 1.010 120.951 119.914 0.045 0.000 2.287 324 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 324 V C 2.563 178.696 176.094 0.064 0.000 1.053 324 V CA 2.356 64.681 62.300 0.041 0.000 1.027 324 V CB -1.426 30.409 31.823 0.018 0.000 0.646 324 V HN 0.596 nan 8.190 nan 0.000 0.447 325 G N -1.630 107.208 108.800 0.065 0.000 2.422 325 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.218 325 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.218 325 G C 1.728 176.704 174.900 0.128 0.000 1.146 325 G CA 1.275 46.427 45.100 0.087 0.000 0.769 325 G HN 0.538 nan 8.290 nan 0.000 0.547 326 C N 0.224 119.600 119.300 0.126 0.000 2.440 326 C HA 0.119 4.579 4.460 -0.001 0.000 0.278 326 C C 2.847 177.906 174.990 0.116 0.000 1.295 326 C CA 0.302 59.401 59.018 0.134 0.000 1.738 326 C CB -0.886 26.926 27.740 0.120 0.000 1.987 326 C HN 0.473 nan 8.230 nan 0.000 0.492 327 I N 0.471 121.100 120.570 0.099 0.000 2.142 327 I HA -0.261 3.909 4.170 -0.001 0.000 0.240 327 I C 2.526 178.715 176.117 0.120 0.000 1.078 327 I CA 1.740 63.092 61.300 0.086 0.000 1.343 327 I CB -0.415 37.624 38.000 0.065 0.000 1.046 327 I HN 0.297 nan 8.210 nan 0.000 0.405 328 M N -0.143 119.550 119.600 0.155 0.000 2.296 328 M HA -0.146 4.334 4.480 -0.001 0.000 0.265 328 M C 2.241 178.726 176.300 0.309 0.000 1.064 328 M CA 1.493 56.944 55.300 0.253 0.000 1.109 328 M CB -0.593 32.166 32.600 0.265 0.000 1.396 328 M HN 0.259 nan 8.290 nan 0.000 0.430 329 T N 0.388 115.083 114.554 0.235 0.000 2.720 329 T HA -0.141 4.209 4.350 -0.001 0.000 0.268 329 T C 1.787 176.618 174.700 0.218 0.000 1.037 329 T CA 1.701 63.944 62.100 0.237 0.000 1.144 329 T CB -0.757 68.249 68.868 0.229 0.000 0.864 329 T HN 0.657 nan 8.240 nan 0.000 0.444 330 G N 0.360 109.274 108.800 0.190 0.000 2.535 330 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.218 330 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.218 330 G C 1.357 176.415 174.900 0.262 0.000 1.122 330 G CA 0.354 45.583 45.100 0.215 0.000 0.769 330 G HN 0.505 nan 8.290 nan 0.000 0.549 331 I N -1.444 119.221 120.570 0.159 0.000 2.685 331 I HA 0.199 4.368 4.170 -0.001 0.000 0.251 331 I C 1.684 177.718 176.117 -0.138 0.000 1.102 331 I CA 0.313 61.597 61.300 -0.026 0.000 1.442 331 I CB -0.003 37.838 38.000 -0.264 0.000 1.194 331 I HN -0.003 nan 8.210 nan 0.000 0.448 332 F N 1.133 121.122 119.950 0.064 0.000 2.797 332 F HA 0.211 4.738 4.527 -0.001 0.000 0.302 332 F C 2.316 178.076 175.800 -0.067 0.000 1.130 332 F CA 0.391 58.393 58.000 0.003 0.000 1.387 332 F CB -0.367 38.644 39.000 0.019 0.000 1.107 332 F HN -0.039 nan 8.300 nan 0.000 0.577 333 A N 0.430 123.243 122.820 -0.012 0.000 2.121 333 A HA 0.269 4.588 4.320 -0.001 0.000 0.218 333 A C 1.614 178.848 177.584 -0.583 0.000 1.154 333 A CA 0.587 52.495 52.037 -0.215 0.000 0.679 333 A CB -0.942 17.918 19.000 -0.234 0.000 0.795 333 A HN 0.147 nan 8.150 nan 0.000 0.458 334 A N -0.014 122.384 122.820 -0.703 0.000 2.520 334 A HA 0.370 4.690 4.320 -0.001 0.000 0.245 334 A C 1.454 178.878 177.584 -0.268 0.000 1.072 334 A CA 0.451 52.104 52.037 -0.640 0.000 0.761 334 A CB 0.018 18.881 19.000 -0.229 0.000 1.004 334 A HN 0.362 nan 8.150 nan 0.000 0.499 335 S N 1.987 117.564 115.700 -0.204 0.000 2.374 335 S HA -0.187 4.283 4.470 -0.001 0.000 0.227 335 S C 2.267 176.842 174.600 -0.042 0.000 1.037 335 S CA 1.949 60.099 58.200 -0.084 0.000 1.024 335 S CB -0.294 62.878 63.200 -0.046 0.000 0.861 335 S HN 0.908 nan 8.310 nan 0.000 0.456 336 S N 1.616 117.296 115.700 -0.034 0.000 2.402 336 S HA -0.053 4.417 4.470 -0.001 0.000 0.233 336 S C 1.381 175.980 174.600 -0.003 0.000 1.030 336 S CA 1.048 59.242 58.200 -0.010 0.000 1.003 336 S CB -0.327 62.873 63.200 -0.001 0.000 0.813 336 S HN 0.433 nan 8.310 nan 0.000 0.477 337 L N 0.530 121.747 121.223 -0.010 0.000 2.700 337 L HA 0.376 4.715 4.340 -0.001 0.000 0.234 337 L C 1.467 178.394 176.870 0.095 0.000 1.156 337 L CA 0.191 55.062 54.840 0.052 0.000 0.946 337 L CB 0.017 42.089 42.059 0.022 0.000 1.216 337 L HN 0.488 nan 8.230 nan 0.000 0.493 338 G N -0.235 108.587 108.800 0.038 0.000 2.157 338 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.239 338 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.239 338 G C 0.540 175.452 174.900 0.020 0.000 0.982 338 G CA -0.196 44.923 45.100 0.032 0.000 0.650 338 G HN 0.502 nan 8.290 nan 0.000 0.527 339 G N -0.857 107.942 108.800 -0.002 0.000 2.588 339 G HA2 0.580 4.539 3.960 -0.001 0.000 0.281 339 G HA3 0.580 4.539 3.960 -0.001 0.000 0.281 339 G C 1.453 176.333 174.900 -0.034 0.000 1.236 339 G CA 0.719 45.808 45.100 -0.019 0.000 0.969 339 G HN 1.304 nan 8.290 nan 0.000 0.504 340 V N -2.315 117.596 119.914 -0.006 0.000 3.141 340 V HA 0.461 4.580 4.120 -0.001 0.000 0.265 340 V C 1.179 177.262 176.094 -0.018 0.000 1.126 340 V CA 0.720 63.029 62.300 0.015 0.000 1.141 340 V CB -1.427 30.448 31.823 0.087 0.000 0.743 340 V HN 2.189 nan 8.190 nan 0.000 0.492 341 G N -0.517 108.211 108.800 -0.119 0.000 2.784 341 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.686 341 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.686 341 G C -0.788 174.010 174.900 -0.171 0.000 1.156 341 G CA -0.536 44.459 45.100 -0.173 0.000 0.757 341 G HN 0.345 nan 8.290 nan 0.000 0.642 342 F N 1.242 121.208 119.950 0.026 0.000 2.485 342 F HA 0.552 5.078 4.527 -0.001 0.000 0.327 342 F C 1.535 177.349 175.800 0.023 0.000 1.203 342 F CA 0.654 58.662 58.000 0.012 0.000 1.295 342 F CB 0.316 39.324 39.000 0.013 0.000 1.191 342 F HN 0.955 nan 8.300 nan 0.000 0.588 343 A N 0.788 123.750 122.820 0.237 0.000 2.429 343 A HA 0.094 4.413 4.320 -0.001 0.000 0.242 343 A C 0.281 177.935 177.584 0.116 0.000 1.088 343 A CA -0.546 51.574 52.037 0.139 0.000 0.784 343 A CB -0.219 18.846 19.000 0.108 0.000 1.038 343 A HN 0.753 nan 8.150 nan 0.000 0.501 344 E N -0.363 119.881 120.200 0.073 0.000 2.529 344 E HA 0.252 4.602 4.350 -0.001 0.000 0.259 344 E C 1.206 177.818 176.600 0.021 0.000 0.966 344 E CA 1.255 57.683 56.400 0.047 0.000 0.937 344 E CB 0.129 29.847 29.700 0.030 0.000 0.923 344 E HN 1.312 nan 8.360 nan 0.000 0.468 345 G N 2.076 110.882 108.800 0.009 0.000 2.155 345 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.257 345 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.257 345 G C 0.099 174.954 174.900 -0.074 0.000 0.983 345 G CA 0.223 45.303 45.100 -0.034 0.000 0.676 345 G HN 0.399 nan 8.290 nan 0.000 0.528 346 V N 2.014 121.909 119.914 -0.031 0.000 2.370 346 V HA 0.654 4.774 4.120 -0.001 0.000 0.283 346 V C 0.948 176.964 176.094 -0.130 0.000 1.023 346 V CA -0.019 62.237 62.300 -0.074 0.000 0.857 346 V CB 1.414 33.243 31.823 0.010 0.000 0.985 346 V HN 0.654 nan 8.190 nan 0.000 0.443 347 T N 1.961 116.412 114.554 -0.171 0.000 2.874 347 T HA 0.335 4.685 4.350 -0.001 0.000 0.281 347 T C 1.212 175.589 174.700 -0.538 0.000 0.994 347 T CA -0.435 61.530 62.100 -0.225 0.000 1.015 347 T CB 1.151 69.954 68.868 -0.107 0.000 1.028 347 T HN 0.561 nan 8.240 nan 0.000 0.523 348 M N 1.262 120.543 119.600 -0.532 0.000 2.108 348 M HA -0.003 4.477 4.480 -0.001 0.000 0.261 348 M C 2.280 178.396 176.300 -0.308 0.000 1.066 348 M CA 2.368 57.327 55.300 -0.570 0.000 1.107 348 M CB -1.134 31.404 32.600 -0.103 0.000 1.356 348 M HN 0.958 nan 8.290 nan 0.000 0.406 349 G N -0.887 107.811 108.800 -0.170 0.000 2.514 349 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.217 349 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.217 349 G C 1.170 176.013 174.900 -0.095 0.000 1.198 349 G CA 1.758 46.800 45.100 -0.098 0.000 0.780 349 G HN 0.686 nan 8.290 nan 0.000 0.565 350 H N -0.004 118.963 119.070 -0.172 0.000 2.353 350 H HA -0.085 4.471 4.556 -0.001 0.000 0.300 350 H C 2.579 177.813 175.328 -0.158 0.000 1.090 350 H CA 2.195 58.158 56.048 -0.141 0.000 1.327 350 H CB -0.141 29.544 29.762 -0.127 0.000 1.383 350 H HN 0.395 nan 8.280 nan 0.000 0.508 351 Q N 0.394 120.031 119.800 -0.271 0.000 2.084 351 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 351 Q C 2.368 178.247 176.000 -0.201 0.000 0.978 351 Q CA 1.754 57.391 55.803 -0.276 0.000 0.844 351 Q CB -0.421 28.086 28.738 -0.386 0.000 0.898 351 Q HN 0.623 nan 8.270 nan 0.000 0.426 352 L N -0.240 120.882 121.223 -0.169 0.000 2.043 352 L HA -0.215 4.125 4.340 -0.001 0.000 0.212 352 L C 2.279 179.086 176.870 -0.105 0.000 1.075 352 L CA 1.023 55.807 54.840 -0.093 0.000 0.752 352 L CB -0.598 41.419 42.059 -0.071 0.000 0.891 352 L HN 0.341 nan 8.230 nan 0.000 0.432 353 L N -0.730 120.399 121.223 -0.157 0.000 2.046 353 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 353 L C 2.342 179.110 176.870 -0.171 0.000 1.077 353 L CA 1.630 56.377 54.840 -0.154 0.000 0.747 353 L CB -0.352 41.602 42.059 -0.176 0.000 0.896 353 L HN -0.064 nan 8.230 nan 0.000 0.432 354 V N -0.319 119.443 119.914 -0.253 0.000 2.407 354 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 354 V C 2.660 178.697 176.094 -0.095 0.000 1.055 354 V CA 1.574 63.757 62.300 -0.196 0.000 1.049 354 V CB -0.699 30.988 31.823 -0.226 0.000 0.662 354 V HN 0.527 nan 8.190 nan 0.000 0.455 355 Q N -0.299 119.460 119.800 -0.069 0.000 2.084 355 Q HA -0.104 4.236 4.340 -0.001 0.000 0.202 355 Q C 2.303 178.300 176.000 -0.005 0.000 0.978 355 Q CA 1.510 57.305 55.803 -0.013 0.000 0.844 355 Q CB -0.475 28.272 28.738 0.016 0.000 0.898 355 Q HN 0.533 nan 8.270 nan 0.000 0.426 356 L N 0.596 121.808 121.223 -0.019 0.000 2.046 356 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 356 L C 2.313 179.181 176.870 -0.003 0.000 1.077 356 L CA 1.258 56.096 54.840 -0.003 0.000 0.747 356 L CB -0.353 41.698 42.059 -0.014 0.000 0.896 356 L HN 0.257 nan 8.230 nan 0.000 0.432 357 E N -0.475 119.706 120.200 -0.031 0.000 2.110 357 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 357 E C 2.305 178.897 176.600 -0.014 0.000 0.988 357 E CA 1.427 57.809 56.400 -0.032 0.000 0.804 357 E CB -0.011 29.643 29.700 -0.076 0.000 0.745 357 E HN 0.344 nan 8.360 nan 0.000 0.458 358 S N 0.666 116.354 115.700 -0.020 0.000 2.368 358 S HA -0.128 4.342 4.470 -0.001 0.000 0.225 358 S C 2.010 176.620 174.600 0.018 0.000 1.030 358 S CA 0.788 58.980 58.200 -0.014 0.000 0.999 358 S CB -0.149 63.039 63.200 -0.021 0.000 0.844 358 S HN 0.184 nan 8.310 nan 0.000 0.459 359 I N 1.785 122.379 120.570 0.039 0.000 2.113 359 I HA -0.226 3.944 4.170 -0.001 0.000 0.238 359 I C 2.758 178.931 176.117 0.093 0.000 1.070 359 I CA 1.184 62.529 61.300 0.075 0.000 1.332 359 I CB -0.604 37.445 38.000 0.082 0.000 1.044 359 I HN 0.258 nan 8.210 nan 0.000 0.402 360 A N 1.079 123.946 122.820 0.078 0.000 1.892 360 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 360 A C 2.322 179.972 177.584 0.110 0.000 1.188 360 A CA 1.884 53.973 52.037 0.087 0.000 0.631 360 A CB -1.054 17.982 19.000 0.060 0.000 0.822 360 A HN 0.414 nan 8.150 nan 0.000 0.447 361 I N -0.590 120.043 120.570 0.104 0.000 2.163 361 I HA -0.255 3.915 4.170 -0.001 0.000 0.243 361 I C 2.644 178.883 176.117 0.203 0.000 1.085 361 I CA 1.852 63.248 61.300 0.159 0.000 1.347 361 I CB -0.673 37.402 38.000 0.126 0.000 1.044 361 I HN 0.288 nan 8.210 nan 0.000 0.408 362 T N 1.138 115.769 114.554 0.128 0.000 2.708 362 T HA -0.141 4.209 4.350 -0.001 0.000 0.266 362 T C 1.925 176.758 174.700 0.222 0.000 1.037 362 T CA 1.442 63.620 62.100 0.130 0.000 1.146 362 T CB -0.296 68.615 68.868 0.073 0.000 0.865 362 T HN 0.229 nan 8.240 nan 0.000 0.435 363 I N 0.802 121.496 120.570 0.207 0.000 2.127 363 I HA -0.179 3.991 4.170 -0.001 0.000 0.241 363 I C 2.476 178.723 176.117 0.216 0.000 1.075 363 I CA 1.171 62.603 61.300 0.221 0.000 1.334 363 I CB -0.449 37.665 38.000 0.190 0.000 1.040 363 I HN 0.102 nan 8.210 nan 0.000 0.405 364 V N -0.146 119.882 119.914 0.191 0.000 2.379 364 V HA -0.257 3.863 4.120 -0.001 0.000 0.245 364 V C 2.090 178.302 176.094 0.196 0.000 1.044 364 V CA 1.492 63.884 62.300 0.153 0.000 1.036 364 V CB -0.707 31.178 31.823 0.104 0.000 0.664 364 V HN 0.593 nan 8.190 nan 0.000 0.453 365 W N 0.834 122.180 121.300 0.077 0.000 2.354 365 W HA -0.216 4.445 4.660 0.002 0.000 0.315 365 W C 2.907 179.488 176.519 0.103 0.000 1.206 365 W CA 2.352 59.736 57.345 0.065 0.000 1.290 365 W CB -0.637 28.848 29.460 0.041 0.000 1.152 365 W HN 0.362 nan 8.180 nan 0.000 0.489 366 S N 0.142 116.137 115.700 0.490 0.000 2.356 366 S HA -0.111 4.358 4.470 -0.001 0.000 0.223 366 S C 2.083 176.987 174.600 0.506 0.000 1.032 366 S CA 2.181 60.700 58.200 0.532 0.000 1.005 366 S CB -0.952 62.580 63.200 0.553 0.000 0.867 366 S HN 0.283 nan 8.310 nan 0.000 0.449 367 G N 0.872 109.888 108.800 0.359 0.000 2.446 367 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.217 367 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.217 367 G C 1.512 176.585 174.900 0.289 0.000 1.168 367 G CA 1.171 46.449 45.100 0.296 0.000 0.771 367 G HN 0.469 nan 8.290 nan 0.000 0.551 368 V N 0.437 120.461 119.914 0.183 0.000 2.295 368 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 368 V C 3.060 179.270 176.094 0.194 0.000 1.049 368 V CA 1.603 63.973 62.300 0.116 0.000 1.024 368 V CB -0.493 31.302 31.823 -0.046 0.000 0.648 368 V HN 0.244 nan 8.190 nan 0.000 0.447 369 V N 0.261 120.280 119.914 0.175 0.000 2.343 369 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 369 V C 2.685 179.000 176.094 0.369 0.000 1.051 369 V CA 2.015 64.434 62.300 0.198 0.000 1.036 369 V CB -1.128 30.779 31.823 0.140 0.000 0.654 369 V HN 0.565 nan 8.190 nan 0.000 0.451 370 A N -0.664 122.492 122.820 0.559 0.000 1.902 370 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 370 A C 2.108 180.004 177.584 0.519 0.000 1.181 370 A CA 1.895 54.315 52.037 0.638 0.000 0.623 370 A CB -0.704 18.679 19.000 0.638 0.000 0.818 370 A HN 0.506 nan 8.150 nan 0.000 0.443 371 F N 0.639 120.799 119.950 0.351 0.000 2.095 371 F HA -0.187 4.338 4.527 -0.002 0.000 0.298 371 F C 2.008 177.949 175.800 0.236 0.000 1.104 371 F CA 1.901 60.079 58.000 0.297 0.000 1.232 371 F CB -0.227 38.888 39.000 0.191 0.000 0.987 371 F HN 0.185 nan 8.300 nan 0.000 0.475 372 I N -0.011 120.763 120.570 0.340 0.000 2.163 372 I HA -0.291 3.879 4.170 -0.001 0.000 0.243 372 I C 2.764 178.947 176.117 0.109 0.000 1.085 372 I CA 1.523 62.935 61.300 0.186 0.000 1.347 372 I CB -1.360 36.727 38.000 0.146 0.000 1.044 372 I HN 0.305 nan 8.210 nan 0.000 0.408 373 G N 0.068 108.954 108.800 0.144 0.000 2.459 373 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.217 373 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.217 373 G C 1.458 176.454 174.900 0.160 0.000 1.183 373 G CA 0.812 45.989 45.100 0.129 0.000 0.776 373 G HN 0.266 nan 8.290 nan 0.000 0.552 374 Y N 1.126 121.571 120.300 0.241 0.000 2.224 374 Y HA -0.005 4.544 4.550 -0.002 0.000 0.289 374 Y C 2.862 178.707 175.900 -0.091 0.000 1.146 374 Y CA 1.210 59.314 58.100 0.008 0.000 1.182 374 Y CB -0.050 38.320 38.460 -0.150 0.000 0.983 374 Y HN 0.020 nan 8.280 nan 0.000 0.524 375 K N -0.169 120.211 120.400 -0.033 0.000 2.057 375 K HA -0.129 4.191 4.320 -0.001 0.000 0.206 375 K C 2.138 178.726 176.600 -0.019 0.000 1.050 375 K CA 0.775 56.992 56.287 -0.117 0.000 0.935 375 K CB -0.886 31.460 32.500 -0.255 0.000 0.715 375 K HN 0.280 nan 8.250 nan 0.000 0.439 376 L N 1.289 122.523 121.223 0.019 0.000 2.017 376 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 376 L C 2.206 179.101 176.870 0.042 0.000 1.073 376 L CA 2.000 56.858 54.840 0.031 0.000 0.745 376 L CB -0.842 41.239 42.059 0.037 0.000 0.894 376 L HN 0.144 nan 8.230 nan 0.000 0.432 377 A N -0.940 121.922 122.820 0.070 0.000 1.908 377 A HA -0.282 4.038 4.320 -0.001 0.000 0.218 377 A C 2.147 179.763 177.584 0.052 0.000 1.181 377 A CA 1.987 54.073 52.037 0.081 0.000 0.627 377 A CB -1.002 18.078 19.000 0.132 0.000 0.818 377 A HN 0.554 nan 8.150 nan 0.000 0.445 378 D N -0.214 120.207 120.400 0.035 0.000 2.144 378 D HA -0.076 4.564 4.640 -0.001 0.000 0.199 378 D C 1.782 178.084 176.300 0.002 0.000 0.984 378 D CA 0.987 54.990 54.000 0.005 0.000 0.834 378 D CB -0.200 40.584 40.800 -0.028 0.000 0.955 378 D HN 0.432 nan 8.370 nan 0.000 0.465 379 L N -0.439 120.787 121.223 0.004 0.000 2.291 379 L HA -0.037 4.302 4.340 -0.001 0.000 0.214 379 L C 2.144 179.020 176.870 0.011 0.000 1.120 379 L CA 0.862 55.706 54.840 0.006 0.000 0.799 379 L CB -0.111 41.952 42.059 0.007 0.000 0.925 379 L HN 0.030 nan 8.230 nan 0.000 0.446 380 T N -1.310 113.255 114.554 0.018 0.000 2.980 380 T HA -0.024 4.325 4.350 -0.001 0.000 0.239 380 T C 1.527 176.240 174.700 0.022 0.000 1.011 380 T CA 1.323 63.435 62.100 0.021 0.000 1.171 380 T CB 0.182 69.067 68.868 0.028 0.000 0.873 380 T HN 0.237 nan 8.240 nan 0.000 0.431 381 V N -1.963 117.968 119.914 0.028 0.000 3.562 381 V HA 0.687 4.806 4.120 -0.001 0.000 0.270 381 V C 0.757 176.865 176.094 0.024 0.000 1.418 381 V CA 0.235 62.552 62.300 0.029 0.000 1.033 381 V CB -0.383 31.466 31.823 0.043 0.000 0.820 381 V HN 0.663 nan 8.190 nan 0.000 0.441 382 G N 0.526 109.337 108.800 0.019 0.000 3.172 382 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.686 382 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.686 382 G C -0.215 174.690 174.900 0.010 0.000 1.009 382 G CA -0.014 45.090 45.100 0.007 0.000 0.787 382 G HN 0.320 nan 8.290 nan 0.000 0.559 383 L N 1.532 122.751 121.223 -0.007 0.000 2.007 383 L HA 0.100 4.439 4.340 -0.001 0.000 0.205 383 L C 2.276 179.126 176.870 -0.034 0.000 1.073 383 L CA 1.007 55.837 54.840 -0.016 0.000 0.744 383 L CB -0.169 41.857 42.059 -0.054 0.000 0.898 383 L HN 0.622 nan 8.230 nan 0.000 0.435 384 R N 0.387 120.859 120.500 -0.047 0.000 2.489 384 R HA 0.075 4.415 4.340 -0.001 0.000 0.287 384 R C -0.426 175.857 176.300 -0.028 0.000 1.053 384 R CA -0.230 55.839 56.100 -0.051 0.000 1.036 384 R CB 0.920 31.186 30.300 -0.057 0.000 0.966 384 R HN -0.045 nan 8.270 nan 0.000 0.432 385 V N 7.194 127.091 119.914 -0.028 0.000 2.479 385 V HA 0.128 4.247 4.120 -0.001 0.000 0.281 385 V C -1.320 174.768 176.094 -0.009 0.000 1.031 385 V CA -1.319 60.975 62.300 -0.010 0.000 1.038 385 V CB 0.553 32.368 31.823 -0.013 0.000 0.981 385 V HN 0.769 nan 8.190 nan 0.000 0.478 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 386 P CB 0.000 31.703 31.700 0.005 0.000 0.726