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 3c1g_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAVADKADNA FMMICTALVL FMTIPGIALF YGGLIRGKNV LSMLTQVTVT DATA SEQUENCE FALVCILWVV YGYSLAFGEG NNFFGNINWL MLKNIELTAV MGSIYQYIHV DATA SEQUENCE AFQGSFACIT VGLIVGALAE RIRFSAVLIF VVVWLTLSYI PIAHMVWGGG DATA SEQUENCE LLASHGALDF AGGTVVHINA AIAGLVGAYL XXXXXXXXXX XXKPHNLPMV DATA SEQUENCE FTGTAILYIG WFGFNAGSAG TANEIAALAF VNTVVATAAA ILGWIFGEWA DATA SEQUENCE LRGKPSLLGA CSGAIAGLVG VTPACGYIGV GGALIIGVVA GLAGLWGVTM DATA SEQUENCE XXXXXXXXXP CDVFGVHGVC GIVGCIMTGI FAASSLGGVG FAEGVTMGHQ DATA SEQUENCE LLVQLESIAI TIVWSGVVAF IGYKLADLTV GLRVP 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.294 177.300 -0.009 0.000 1.155 2 P CA 0.000 63.101 63.100 0.001 0.000 0.800 2 P CB 0.000 31.703 31.700 0.006 0.000 0.726 3 A N 1.500 124.312 122.820 -0.014 0.000 2.540 3 A HA 0.494 4.814 4.320 0.001 0.000 0.239 3 A C 0.170 177.724 177.584 -0.050 0.000 1.061 3 A CA 0.164 52.182 52.037 -0.032 0.000 0.758 3 A CB 0.224 19.203 19.000 -0.035 0.000 0.991 3 A HN 0.360 nan 8.150 nan 0.000 0.502 4 V N 2.207 122.078 119.914 -0.072 0.000 2.604 4 V HA 0.585 4.706 4.120 0.001 0.000 0.305 4 V C 0.674 176.667 176.094 -0.169 0.000 1.043 4 V CA -0.315 61.927 62.300 -0.096 0.000 0.888 4 V CB 1.605 33.392 31.823 -0.060 0.000 0.995 4 V HN 1.234 nan 8.190 nan 0.000 0.429 5 A N 2.862 125.505 122.820 -0.295 0.000 2.440 5 A HA 0.381 4.702 4.320 0.001 0.000 0.251 5 A C -0.009 177.411 177.584 -0.273 0.000 1.089 5 A CA -0.073 51.689 52.037 -0.459 0.000 0.779 5 A CB 0.145 18.432 19.000 -1.188 0.000 1.022 5 A HN 0.824 nan 8.150 nan 0.000 0.492 6 D N 2.191 122.466 120.400 -0.208 0.000 2.359 6 D HA 0.179 4.819 4.640 0.001 0.000 0.230 6 D C 0.766 177.014 176.300 -0.087 0.000 1.118 6 D CA -0.293 53.637 54.000 -0.118 0.000 0.844 6 D CB 0.848 41.593 40.800 -0.091 0.000 1.059 6 D HN 0.547 nan 8.370 nan 0.000 0.493 7 K N 2.331 122.703 120.400 -0.046 0.000 2.211 7 K HA -0.147 4.174 4.320 0.001 0.000 0.204 7 K C 1.727 178.332 176.600 0.010 0.000 1.047 7 K CA 1.078 57.366 56.287 0.001 0.000 0.935 7 K CB 0.104 32.616 32.500 0.021 0.000 0.728 7 K HN 0.419 nan 8.250 nan 0.000 0.452 8 A N 1.994 124.809 122.820 -0.007 0.000 1.933 8 A HA -0.195 4.126 4.320 0.001 0.000 0.218 8 A C 1.606 179.208 177.584 0.031 0.000 1.175 8 A CA 1.778 53.815 52.037 0.001 0.000 0.628 8 A CB -0.235 18.744 19.000 -0.033 0.000 0.814 8 A HN 0.162 nan 8.150 nan 0.000 0.444 9 D N -0.053 120.352 120.400 0.010 0.000 2.137 9 D HA -0.093 4.548 4.640 0.001 0.000 0.202 9 D C 1.644 177.982 176.300 0.063 0.000 0.970 9 D CA 0.887 54.915 54.000 0.046 0.000 0.837 9 D CB -0.406 40.385 40.800 -0.015 0.000 0.981 9 D HN 0.327 nan 8.370 nan 0.000 0.475 10 N N 1.392 120.105 118.700 0.022 0.000 2.036 10 N HA -0.175 4.565 4.740 0.001 0.000 0.195 10 N C 1.825 177.373 175.510 0.064 0.000 1.037 10 N CA 1.611 54.688 53.050 0.045 0.000 0.855 10 N CB -0.582 37.955 38.487 0.084 0.000 1.033 10 N HN 0.132 nan 8.380 nan 0.000 0.423 11 A N 0.792 123.658 122.820 0.076 0.000 1.883 11 A HA -0.170 4.150 4.320 0.001 0.000 0.217 11 A C 2.188 179.842 177.584 0.118 0.000 1.186 11 A CA 1.348 53.435 52.037 0.084 0.000 0.624 11 A CB -1.082 17.965 19.000 0.078 0.000 0.822 11 A HN 0.296 nan 8.150 nan 0.000 0.444 12 F N 0.126 120.065 119.950 -0.018 0.000 2.095 12 F HA -0.194 4.333 4.527 0.001 0.000 0.298 12 F C 2.249 178.028 175.800 -0.034 0.000 1.104 12 F CA 2.004 59.994 58.000 -0.016 0.000 1.232 12 F CB -0.230 38.752 39.000 -0.030 0.000 0.987 12 F HN 0.103 nan 8.300 nan 0.000 0.475 13 M N -0.461 119.081 119.600 -0.095 0.000 2.200 13 M HA -0.174 4.306 4.480 0.001 0.000 0.265 13 M C 2.252 178.453 176.300 -0.164 0.000 1.066 13 M CA 1.425 56.553 55.300 -0.288 0.000 1.127 13 M CB -1.227 31.224 32.600 -0.249 0.000 1.379 13 M HN 0.281 nan 8.290 nan 0.000 0.420 14 M N -0.218 119.352 119.600 -0.051 0.000 2.086 14 M HA -0.187 4.293 4.480 0.001 0.000 0.261 14 M C 2.025 178.322 176.300 -0.004 0.000 1.067 14 M CA 1.259 56.559 55.300 0.001 0.000 1.116 14 M CB -0.474 32.142 32.600 0.027 0.000 1.348 14 M HN 0.120 nan 8.290 nan 0.000 0.407 15 I N 0.079 120.635 120.570 -0.023 0.000 2.264 15 I HA -0.285 3.886 4.170 0.001 0.000 0.248 15 I C 2.542 178.640 176.117 -0.031 0.000 1.111 15 I CA 1.325 62.616 61.300 -0.014 0.000 1.382 15 I CB -1.562 36.446 38.000 0.012 0.000 1.060 15 I HN 0.432 nan 8.210 nan 0.000 0.418 16 C N 0.570 119.783 119.300 -0.145 0.000 2.440 16 C HA -0.133 4.327 4.460 0.001 0.000 0.278 16 C C 2.977 178.061 174.990 0.156 0.000 1.295 16 C CA 1.356 60.325 59.018 -0.081 0.000 1.738 16 C CB -1.107 26.425 27.740 -0.347 0.000 1.987 16 C HN 0.526 nan 8.230 nan 0.000 0.492 17 T N 1.161 115.822 114.554 0.178 0.000 2.746 17 T HA -0.116 4.235 4.350 0.001 0.000 0.267 17 T C 2.117 176.897 174.700 0.135 0.000 1.039 17 T CA 1.581 63.825 62.100 0.241 0.000 1.142 17 T CB -0.387 68.599 68.868 0.196 0.000 0.866 17 T HN 0.643 nan 8.240 nan 0.000 0.444 18 A N 1.483 124.357 122.820 0.091 0.000 1.877 18 A HA -0.002 4.318 4.320 0.001 0.000 0.216 18 A C 2.322 179.968 177.584 0.104 0.000 1.186 18 A CA 1.205 53.283 52.037 0.069 0.000 0.620 18 A CB -0.926 18.086 19.000 0.020 0.000 0.822 18 A HN 0.464 nan 8.150 nan 0.000 0.443 19 L N -0.490 120.805 121.223 0.120 0.000 2.013 19 L HA -0.212 4.128 4.340 0.001 0.000 0.212 19 L C 2.568 179.542 176.870 0.173 0.000 1.073 19 L CA 1.444 56.397 54.840 0.189 0.000 0.753 19 L CB -0.730 41.436 42.059 0.178 0.000 0.890 19 L HN 0.268 nan 8.230 nan 0.000 0.432 20 V N 0.040 120.025 119.914 0.119 0.000 2.295 20 V HA -0.290 3.831 4.120 0.001 0.000 0.246 20 V C 2.456 178.568 176.094 0.029 0.000 1.049 20 V CA 1.596 63.910 62.300 0.023 0.000 1.024 20 V CB -0.401 31.392 31.823 -0.050 0.000 0.648 20 V HN 0.338 nan 8.190 nan 0.000 0.447 21 L N -1.134 120.144 121.223 0.092 0.000 2.013 21 L HA -0.249 4.091 4.340 0.001 0.000 0.212 21 L C 2.446 179.397 176.870 0.134 0.000 1.073 21 L CA 1.969 56.893 54.840 0.140 0.000 0.753 21 L CB -0.735 41.426 42.059 0.170 0.000 0.890 21 L HN 0.341 nan 8.230 nan 0.000 0.432 22 F N 0.763 120.696 119.950 -0.029 0.000 2.202 22 F HA -0.240 4.287 4.527 0.001 0.000 0.301 22 F C 2.487 178.242 175.800 -0.074 0.000 1.082 22 F CA 1.283 59.254 58.000 -0.049 0.000 1.313 22 F CB -0.416 38.575 39.000 -0.016 0.000 1.024 22 F HN 0.019 nan 8.300 nan 0.000 0.495 23 M N -0.975 118.577 119.600 -0.079 0.000 2.143 23 M HA -0.260 4.220 4.480 0.001 0.000 0.258 23 M C 1.786 177.964 176.300 -0.204 0.000 1.071 23 M CA 2.324 57.492 55.300 -0.220 0.000 1.088 23 M CB -1.020 31.415 32.600 -0.275 0.000 1.360 23 M HN 0.055 nan 8.290 nan 0.000 0.404 24 T N -0.085 114.389 114.554 -0.133 0.000 2.983 24 T HA 0.194 4.545 4.350 0.001 0.000 0.250 24 T C 0.856 175.447 174.700 -0.183 0.000 1.037 24 T CA 0.496 62.525 62.100 -0.119 0.000 1.142 24 T CB 0.429 69.281 68.868 -0.027 0.000 0.876 24 T HN 0.060 nan 8.240 nan 0.000 0.455 25 I N 3.377 123.824 120.570 -0.206 0.000 2.388 25 I HA 0.296 4.466 4.170 0.001 0.000 0.281 25 I C -2.302 173.806 176.117 -0.015 0.000 1.046 25 I CA -2.711 58.468 61.300 -0.202 0.000 1.187 25 I CB 1.200 38.964 38.000 -0.394 0.000 1.351 25 I HN 0.007 nan 8.210 nan 0.000 0.472 26 P HA 0.199 nan 4.420 nan 0.000 0.280 26 P C 1.294 178.500 177.300 -0.157 0.000 1.431 26 P CA 0.072 63.102 63.100 -0.116 0.000 1.058 26 P CB 0.902 32.570 31.700 -0.053 0.000 1.521 27 G N 1.661 110.302 108.800 -0.264 0.000 2.586 27 G HA2 -0.299 3.661 3.960 0.001 0.000 0.218 27 G HA3 -0.299 3.661 3.960 0.001 0.000 0.218 27 G C 1.305 176.131 174.900 -0.124 0.000 1.216 27 G CA 0.860 45.804 45.100 -0.260 0.000 0.786 27 G HN 0.277 nan 8.290 nan 0.000 0.583 28 I N 1.550 122.056 120.570 -0.106 0.000 2.394 28 I HA 0.052 4.222 4.170 0.001 0.000 0.251 28 I C 3.031 179.232 176.117 0.140 0.000 1.136 28 I CA 1.321 62.610 61.300 -0.018 0.000 1.425 28 I CB -0.261 37.738 38.000 -0.002 0.000 1.079 28 I HN 0.219 nan 8.210 nan 0.000 0.425 29 A N 0.190 123.055 122.820 0.076 0.000 1.883 29 A HA -0.185 4.135 4.320 0.001 0.000 0.217 29 A C 2.287 179.927 177.584 0.093 0.000 1.186 29 A CA 1.882 53.975 52.037 0.093 0.000 0.624 29 A CB -0.980 18.029 19.000 0.014 0.000 0.822 29 A HN 0.469 nan 8.150 nan 0.000 0.444 30 L N -2.351 118.896 121.223 0.040 0.000 2.156 30 L HA -0.082 4.258 4.340 0.001 0.000 0.208 30 L C 2.437 179.320 176.870 0.020 0.000 1.095 30 L CA 1.102 55.951 54.840 0.016 0.000 0.770 30 L CB -0.463 41.582 42.059 -0.023 0.000 0.914 30 L HN 0.501 nan 8.230 nan 0.000 0.439 31 F N 0.193 120.067 119.950 -0.127 0.000 2.046 31 F HA -0.309 4.219 4.527 0.000 0.000 0.297 31 F C 2.355 178.047 175.800 -0.180 0.000 1.123 31 F CA 1.781 59.657 58.000 -0.207 0.000 1.199 31 F CB -0.411 38.397 39.000 -0.321 0.000 0.972 31 F HN -0.065 nan 8.300 nan 0.000 0.474 32 Y N 0.467 120.789 120.300 0.038 0.000 2.242 32 Y HA 0.005 4.555 4.550 0.001 0.000 0.291 32 Y C 2.713 178.569 175.900 -0.073 0.000 1.137 32 Y CA 1.079 59.147 58.100 -0.053 0.000 1.181 32 Y CB -1.334 37.144 38.460 0.030 0.000 0.989 32 Y HN 0.152 nan 8.280 nan 0.000 0.527 33 G N -0.420 108.449 108.800 0.115 0.000 2.469 33 G HA2 -0.276 3.684 3.960 0.001 0.000 0.219 33 G HA3 -0.276 3.684 3.960 0.001 0.000 0.219 33 G C 1.998 176.916 174.900 0.030 0.000 1.150 33 G CA 1.103 46.253 45.100 0.084 0.000 0.763 33 G HN 0.523 nan 8.290 nan 0.000 0.561 34 G N -0.270 108.434 108.800 -0.160 0.000 2.712 34 G HA2 0.147 4.108 3.960 0.001 0.000 0.212 34 G HA3 0.147 4.108 3.960 0.001 0.000 0.212 34 G C 1.619 176.309 174.900 -0.350 0.000 1.142 34 G CA 0.170 45.028 45.100 -0.403 0.000 0.789 34 G HN 0.427 nan 8.290 nan 0.000 0.535 35 L N 0.318 121.438 121.223 -0.172 0.000 2.316 35 L HA 0.359 4.700 4.340 0.001 0.000 0.207 35 L C 1.433 178.338 176.870 0.058 0.000 1.070 35 L CA -0.001 54.776 54.840 -0.105 0.000 0.820 35 L CB -0.054 41.892 42.059 -0.188 0.000 0.992 35 L HN 0.264 nan 8.230 nan 0.000 0.466 36 I N -1.712 118.931 120.570 0.122 0.000 2.764 36 I HA 0.291 4.461 4.170 0.001 0.000 0.294 36 I C 0.659 176.833 176.117 0.094 0.000 1.045 36 I CA -0.875 60.482 61.300 0.095 0.000 1.340 36 I CB 0.540 38.571 38.000 0.051 0.000 1.436 36 I HN -0.038 nan 8.210 nan 0.000 0.567 37 R N 3.567 124.063 120.500 -0.007 0.000 2.566 37 R HA 0.046 4.387 4.340 0.001 0.000 0.273 37 R C 1.204 177.349 176.300 -0.259 0.000 0.981 37 R CA 1.105 57.141 56.100 -0.107 0.000 1.091 37 R CB 0.307 30.560 30.300 -0.078 0.000 0.924 37 R HN 0.915 nan 8.270 nan 0.000 0.411 38 G N 4.493 112.991 108.800 -0.504 0.000 2.450 38 G HA2 -0.338 3.623 3.960 0.001 0.000 0.220 38 G HA3 -0.338 3.623 3.960 0.001 0.000 0.220 38 G C 0.847 175.593 174.900 -0.258 0.000 1.130 38 G CA 1.110 45.846 45.100 -0.606 0.000 0.760 38 G HN 0.797 nan 8.290 nan 0.000 0.557 39 K N -0.155 120.142 120.400 -0.172 0.000 2.504 39 K HA 0.078 4.398 4.320 0.001 0.000 0.195 39 K C 1.133 177.684 176.600 -0.082 0.000 1.036 39 K CA 0.891 57.116 56.287 -0.103 0.000 0.984 39 K CB 0.006 32.459 32.500 -0.079 0.000 0.788 39 K HN 0.150 nan 8.250 nan 0.000 0.488 40 N N 0.607 119.253 118.700 -0.090 0.000 2.197 40 N HA 0.032 4.772 4.740 0.001 0.000 0.201 40 N C 1.455 176.931 175.510 -0.056 0.000 1.148 40 N CA 0.140 53.148 53.050 -0.070 0.000 0.883 40 N CB 0.716 39.163 38.487 -0.067 0.000 1.012 40 N HN -0.036 nan 8.380 nan 0.000 0.507 41 V N 1.785 121.672 119.914 -0.046 0.000 2.261 41 V HA -0.173 3.948 4.120 0.001 0.000 0.246 41 V C 2.442 178.529 176.094 -0.012 0.000 1.047 41 V CA 1.333 63.632 62.300 -0.002 0.000 1.015 41 V CB -0.497 31.350 31.823 0.039 0.000 0.642 41 V HN 0.226 nan 8.190 nan 0.000 0.446 42 L N -0.068 121.144 121.223 -0.018 0.000 2.012 42 L HA -0.215 4.126 4.340 0.001 0.000 0.210 42 L C 2.718 179.569 176.870 -0.032 0.000 1.073 42 L CA 2.081 56.912 54.840 -0.014 0.000 0.748 42 L CB -0.746 41.307 42.059 -0.010 0.000 0.891 42 L HN 0.396 nan 8.230 nan 0.000 0.431 43 S N -0.621 115.047 115.700 -0.054 0.000 2.383 43 S HA -0.181 4.289 4.470 0.001 0.000 0.227 43 S C 2.000 176.511 174.600 -0.148 0.000 1.026 43 S CA 1.015 59.157 58.200 -0.097 0.000 0.981 43 S CB -0.108 63.034 63.200 -0.097 0.000 0.818 43 S HN 0.288 nan 8.310 nan 0.000 0.472 44 M N 1.199 120.732 119.600 -0.111 0.000 2.086 44 M HA -0.037 4.443 4.480 0.001 0.000 0.261 44 M C 1.913 178.163 176.300 -0.084 0.000 1.067 44 M CA 1.606 56.836 55.300 -0.116 0.000 1.116 44 M CB -1.124 31.428 32.600 -0.080 0.000 1.348 44 M HN 0.389 nan 8.290 nan 0.000 0.407 45 L N -0.337 120.862 121.223 -0.041 0.000 2.042 45 L HA -0.247 4.094 4.340 0.001 0.000 0.210 45 L C 2.322 179.180 176.870 -0.021 0.000 1.076 45 L CA 1.866 56.696 54.840 -0.017 0.000 0.749 45 L CB -1.255 40.804 42.059 0.000 0.000 0.893 45 L HN 0.322 nan 8.230 nan 0.000 0.432 46 T N -0.961 113.573 114.554 -0.035 0.000 2.708 46 T HA -0.236 4.115 4.350 0.001 0.000 0.266 46 T C 1.872 176.549 174.700 -0.038 0.000 1.037 46 T CA 1.338 63.432 62.100 -0.009 0.000 1.146 46 T CB -0.211 68.660 68.868 0.005 0.000 0.865 46 T HN 0.412 nan 8.240 nan 0.000 0.435 47 Q N 0.218 119.882 119.800 -0.227 0.000 2.167 47 Q HA -0.031 4.310 4.340 0.001 0.000 0.202 47 Q C 2.543 178.521 176.000 -0.036 0.000 0.970 47 Q CA 0.887 56.498 55.803 -0.319 0.000 0.855 47 Q CB -0.312 28.114 28.738 -0.520 0.000 0.911 47 Q HN 0.368 nan 8.270 nan 0.000 0.438 48 V N 0.526 120.430 119.914 -0.018 0.000 2.323 48 V HA -0.218 3.902 4.120 0.001 0.000 0.244 48 V C 2.166 178.329 176.094 0.115 0.000 1.041 48 V CA 2.127 64.455 62.300 0.047 0.000 1.025 48 V CB -0.712 31.124 31.823 0.022 0.000 0.656 48 V HN 0.399 nan 8.190 nan 0.000 0.451 49 T N -0.045 114.561 114.554 0.087 0.000 2.746 49 T HA -0.156 4.195 4.350 0.001 0.000 0.267 49 T C 1.914 176.759 174.700 0.241 0.000 1.039 49 T CA 1.640 63.811 62.100 0.119 0.000 1.142 49 T CB -0.220 68.689 68.868 0.068 0.000 0.866 49 T HN 0.271 nan 8.240 nan 0.000 0.444 50 V N 2.184 122.239 119.914 0.235 0.000 2.453 50 V HA -0.133 3.988 4.120 0.001 0.000 0.247 50 V C 2.954 179.198 176.094 0.251 0.000 1.048 50 V CA 2.011 64.471 62.300 0.267 0.000 1.049 50 V CB -1.090 30.968 31.823 0.392 0.000 0.672 50 V HN 0.727 nan 8.190 nan 0.000 0.457 51 T N -2.079 112.629 114.554 0.257 0.000 2.942 51 T HA -0.132 4.218 4.350 0.001 0.000 0.265 51 T C 1.779 176.588 174.700 0.182 0.000 1.062 51 T CA 1.102 63.329 62.100 0.211 0.000 1.139 51 T CB -0.518 68.472 68.868 0.203 0.000 0.883 51 T HN 0.380 nan 8.240 nan 0.000 0.468 52 F N 3.179 123.165 119.950 0.059 0.000 2.025 52 F HA 0.001 4.528 4.527 0.001 0.000 0.297 52 F C 2.675 178.495 175.800 0.033 0.000 1.132 52 F CA 1.526 59.543 58.000 0.029 0.000 1.191 52 F CB -1.002 38.011 39.000 0.022 0.000 0.963 52 F HN 0.244 nan 8.300 nan 0.000 0.481 53 A N 0.701 123.607 122.820 0.142 0.000 1.915 53 A HA -0.286 4.034 4.320 0.001 0.000 0.220 53 A C 2.171 179.717 177.584 -0.064 0.000 1.198 53 A CA 2.248 54.287 52.037 0.004 0.000 0.647 53 A CB -1.551 17.531 19.000 0.136 0.000 0.825 53 A HN 0.625 nan 8.150 nan 0.000 0.456 54 L N -0.258 120.972 121.223 0.011 0.000 2.046 54 L HA -0.112 4.228 4.340 0.001 0.000 0.208 54 L C 2.369 179.223 176.870 -0.025 0.000 1.077 54 L CA 2.071 56.920 54.840 0.016 0.000 0.747 54 L CB -0.455 41.644 42.059 0.066 0.000 0.896 54 L HN 0.151 nan 8.230 nan 0.000 0.432 55 V N -1.125 118.750 119.914 -0.065 0.000 2.427 55 V HA -0.326 3.795 4.120 0.001 0.000 0.248 55 V C 2.633 178.647 176.094 -0.134 0.000 1.051 55 V CA 1.732 63.979 62.300 -0.088 0.000 1.048 55 V CB -0.759 30.993 31.823 -0.119 0.000 0.666 55 V HN 0.660 nan 8.190 nan 0.000 0.456 56 C N -0.090 119.044 119.300 -0.276 0.000 2.413 56 C HA -0.166 4.295 4.460 0.001 0.000 0.276 56 C C 2.586 177.541 174.990 -0.058 0.000 1.236 56 C CA 0.662 59.538 59.018 -0.235 0.000 1.735 56 C CB -0.967 26.548 27.740 -0.374 0.000 2.031 56 C HN 0.467 nan 8.230 nan 0.000 0.474 57 I N 0.889 121.424 120.570 -0.058 0.000 2.202 57 I HA -0.133 4.037 4.170 0.001 0.000 0.242 57 I C 2.412 178.510 176.117 -0.031 0.000 1.091 57 I CA 1.674 62.962 61.300 -0.020 0.000 1.368 57 I CB -1.518 36.480 38.000 -0.004 0.000 1.058 57 I HN 0.354 nan 8.210 nan 0.000 0.410 58 L N -0.695 120.496 121.223 -0.054 0.000 2.081 58 L HA -0.264 4.076 4.340 0.001 0.000 0.212 58 L C 2.636 179.280 176.870 -0.377 0.000 1.080 58 L CA 1.571 56.272 54.840 -0.232 0.000 0.754 58 L CB -0.646 41.319 42.059 -0.157 0.000 0.893 58 L HN 0.441 nan 8.230 nan 0.000 0.433 59 W N -0.003 121.123 121.300 -0.290 0.000 2.378 59 W HA -0.201 4.459 4.660 0.000 0.000 0.313 59 W C 2.442 178.893 176.519 -0.113 0.000 1.197 59 W CA 1.785 59.021 57.345 -0.181 0.000 1.304 59 W CB -0.133 29.266 29.460 -0.102 0.000 1.148 59 W HN -0.032 nan 8.180 nan 0.000 0.494 60 V N 0.573 120.504 119.914 0.028 0.000 2.626 60 V HA -0.238 3.882 4.120 0.001 0.000 0.252 60 V C 1.976 178.033 176.094 -0.061 0.000 1.067 60 V CA 1.653 63.925 62.300 -0.047 0.000 1.081 60 V CB -0.442 31.371 31.823 -0.015 0.000 0.686 60 V HN 0.033 nan 8.190 nan 0.000 0.468 61 V N 0.005 119.875 119.914 -0.073 0.000 2.346 61 V HA -0.131 3.989 4.120 0.001 0.000 0.244 61 V C 1.798 177.947 176.094 0.091 0.000 1.037 61 V CA 2.548 64.861 62.300 0.022 0.000 1.029 61 V CB -0.422 31.459 31.823 0.098 0.000 0.663 61 V HN 0.903 nan 8.190 nan 0.000 0.454 62 Y N -2.931 117.355 120.300 -0.024 0.000 2.580 62 Y HA 0.497 5.048 4.550 0.001 0.000 0.290 62 Y C 1.795 177.618 175.900 -0.129 0.000 0.981 62 Y CA 0.335 58.405 58.100 -0.050 0.000 1.120 62 Y CB -0.615 37.818 38.460 -0.045 0.000 1.415 62 Y HN -0.047 nan 8.280 nan 0.000 0.588 63 G N 1.360 109.764 108.800 -0.659 0.000 2.459 63 G HA2 -0.362 3.599 3.960 0.001 0.000 0.217 63 G HA3 -0.362 3.599 3.960 0.001 0.000 0.217 63 G C 1.405 175.742 174.900 -0.938 0.000 1.183 63 G CA 1.682 46.428 45.100 -0.590 0.000 0.776 63 G HN 0.530 nan 8.290 nan 0.000 0.552 64 Y N 1.557 121.024 120.300 -1.389 0.000 2.163 64 Y HA -0.090 4.460 4.550 0.001 0.000 0.288 64 Y C 3.128 178.923 175.900 -0.175 0.000 1.136 64 Y CA 1.831 59.241 58.100 -1.150 0.000 1.147 64 Y CB -0.630 37.337 38.460 -0.823 0.000 0.987 64 Y HN 0.233 nan 8.280 nan 0.000 0.509 65 S N -0.283 115.386 115.700 -0.051 0.000 2.370 65 S HA -0.189 4.281 4.470 0.001 0.000 0.226 65 S C 1.967 176.497 174.600 -0.117 0.000 1.033 65 S CA 1.570 59.826 58.200 0.094 0.000 1.011 65 S CB -0.701 62.618 63.200 0.198 0.000 0.852 65 S HN 0.462 nan 8.310 nan 0.000 0.457 66 L N 0.854 122.010 121.223 -0.111 0.000 2.240 66 L HA 0.332 4.672 4.340 0.001 0.000 0.211 66 L C 2.304 179.095 176.870 -0.131 0.000 1.106 66 L CA 1.419 56.204 54.840 -0.092 0.000 0.793 66 L CB -0.727 41.332 42.059 0.001 0.000 0.927 66 L HN 0.361 nan 8.230 nan 0.000 0.446 67 A N -1.757 120.944 122.820 -0.198 0.000 1.911 67 A HA 0.026 4.347 4.320 0.001 0.000 0.212 67 A C 1.513 178.843 177.584 -0.423 0.000 1.189 67 A CA 1.078 52.940 52.037 -0.293 0.000 0.639 67 A CB -0.390 18.444 19.000 -0.277 0.000 0.839 67 A HN 0.378 nan 8.150 nan 0.000 0.449 68 F N -0.527 119.360 119.950 -0.106 0.000 2.706 68 F HA 0.342 4.870 4.527 0.001 0.000 0.313 68 F C 1.416 177.217 175.800 0.002 0.000 1.096 68 F CA -0.356 57.614 58.000 -0.051 0.000 1.219 68 F CB 0.203 39.087 39.000 -0.194 0.000 1.051 68 F HN 0.212 nan 8.300 nan 0.000 0.568 69 G N 0.145 108.879 108.800 -0.110 0.000 2.562 69 G HA2 0.275 4.236 3.960 0.001 0.000 0.275 69 G HA3 0.275 4.236 3.960 0.001 0.000 0.275 69 G C -0.615 174.130 174.900 -0.258 0.000 1.196 69 G CA -0.400 44.341 45.100 -0.598 0.000 0.908 69 G HN 0.152 nan 8.290 nan 0.000 0.524 70 E N -0.483 119.510 120.200 -0.345 0.000 2.493 70 E HA 0.422 4.773 4.350 0.001 0.000 0.255 70 E C 0.683 177.211 176.600 -0.121 0.000 0.999 70 E CA 0.976 57.285 56.400 -0.152 0.000 0.934 70 E CB 0.108 29.714 29.700 -0.156 0.000 0.940 70 E HN 0.625 nan 8.360 nan 0.000 0.473 71 G N 3.811 112.587 108.800 -0.039 0.000 2.933 71 G HA2 0.306 4.267 3.960 0.001 0.000 0.203 71 G HA3 0.306 4.267 3.960 0.001 0.000 0.203 71 G C -0.778 174.054 174.900 -0.114 0.000 1.170 71 G CA -0.241 44.792 45.100 -0.111 0.000 0.880 71 G HN 0.691 nan 8.290 nan 0.000 0.573 72 N N -0.923 117.632 118.700 -0.242 0.000 2.938 72 N HA 0.256 4.997 4.740 0.001 0.000 0.335 72 N C 0.613 176.017 175.510 -0.175 0.000 1.358 72 N CA -0.757 52.160 53.050 -0.222 0.000 0.812 72 N CB 0.237 38.536 38.487 -0.312 0.000 1.233 72 N HN 0.224 nan 8.380 nan 0.000 0.593 73 N N -1.125 117.388 118.700 -0.312 0.000 2.443 73 N HA -0.001 4.739 4.740 0.001 0.000 0.184 73 N C 0.109 175.217 175.510 -0.671 0.000 1.037 73 N CA 1.011 53.727 53.050 -0.558 0.000 0.896 73 N CB -0.233 37.735 38.487 -0.865 0.000 0.959 73 N HN 0.456 nan 8.380 nan 0.000 0.442 74 F N -1.206 118.651 119.950 -0.155 0.000 2.619 74 F HA 0.244 4.772 4.527 0.002 0.000 0.281 74 F C 0.250 175.933 175.800 -0.195 0.000 1.065 74 F CA -0.447 57.469 58.000 -0.140 0.000 1.304 74 F CB 0.218 39.204 39.000 -0.024 0.000 1.059 74 F HN -0.195 nan 8.300 nan 0.000 0.648 75 F N -1.527 118.244 119.950 -0.298 0.000 2.645 75 F HA 0.832 5.359 4.527 0.000 0.000 0.310 75 F C 0.360 175.535 175.800 -1.040 0.000 1.102 75 F CA -1.814 55.756 58.000 -0.717 0.000 0.952 75 F CB 0.336 39.180 39.000 -0.260 0.000 1.326 75 F HN -0.034 nan 8.300 nan 0.000 0.456 76 G N 0.880 109.295 108.800 -0.641 0.000 3.107 76 G HA2 0.374 4.335 3.960 0.001 0.000 0.155 76 G HA3 0.374 4.335 3.960 0.001 0.000 0.155 76 G C -0.773 174.059 174.900 -0.113 0.000 1.875 76 G CA 0.314 45.217 45.100 -0.329 0.000 1.004 76 G HN 1.039 nan 8.290 nan 0.000 0.480 77 N N -1.790 116.816 118.700 -0.157 0.000 2.902 77 N HA 0.421 5.161 4.740 0.001 0.000 0.268 77 N C -0.610 174.827 175.510 -0.122 0.000 1.450 77 N CA -0.875 52.097 53.050 -0.130 0.000 0.819 77 N CB 1.015 39.383 38.487 -0.199 0.000 1.540 77 N HN 0.489 nan 8.380 nan 0.000 0.545 78 I N -3.453 117.062 120.570 -0.092 0.000 3.376 78 I HA 0.522 4.693 4.170 0.001 0.000 0.347 78 I C -0.451 175.644 176.117 -0.036 0.000 1.453 78 I CA -0.398 60.873 61.300 -0.048 0.000 1.044 78 I CB -0.553 37.416 38.000 -0.053 0.000 1.668 78 I HN 0.471 nan 8.210 nan 0.000 0.490 79 N N 0.287 118.928 118.700 -0.098 0.000 2.184 79 N HA 0.151 4.891 4.740 0.001 0.000 0.206 79 N C -0.369 175.177 175.510 0.060 0.000 1.151 79 N CA -0.101 52.906 53.050 -0.071 0.000 0.878 79 N CB 0.396 38.791 38.487 -0.154 0.000 1.014 79 N HN 0.390 nan 8.380 nan 0.000 0.512 80 W N 1.435 122.765 121.300 0.049 0.000 1.710 80 W HA 0.419 5.079 4.660 0.001 0.000 0.326 80 W C -0.562 175.988 176.519 0.051 0.000 0.801 80 W CA -1.230 56.157 57.345 0.069 0.000 2.715 80 W CB -0.823 28.709 29.460 0.121 0.000 1.934 80 W HN -0.053 nan 8.180 nan 0.000 0.609 81 L N 2.292 123.646 121.223 0.220 0.000 2.477 81 L HA 0.054 4.394 4.340 0.001 0.000 0.272 81 L C 1.216 178.161 176.870 0.124 0.000 1.157 81 L CA 0.689 55.620 54.840 0.152 0.000 0.889 81 L CB 0.296 42.423 42.059 0.112 0.000 1.158 81 L HN 0.076 nan 8.230 nan 0.000 0.473 82 M N 5.285 124.938 119.600 0.089 0.000 2.682 82 M HA -0.265 4.216 4.480 0.001 0.000 0.196 82 M C 0.649 176.974 176.300 0.041 0.000 0.542 82 M CA 0.768 56.099 55.300 0.052 0.000 0.593 82 M CB -1.790 30.845 32.600 0.057 0.000 2.183 82 M HN 0.755 nan 8.290 nan 0.000 0.663 83 L N -1.774 119.477 121.223 0.048 0.000 4.232 83 L HA -0.257 4.083 4.340 0.001 0.000 0.415 83 L C 0.980 177.893 176.870 0.071 0.000 1.168 83 L CA 1.426 56.263 54.840 -0.004 0.000 0.966 83 L CB -1.804 40.127 42.059 -0.213 0.000 2.052 83 L HN 0.699 nan 8.230 nan 0.000 0.887 84 K N 0.593 121.080 120.400 0.145 0.000 2.469 84 K HA 0.031 4.351 4.320 0.001 0.000 0.274 84 K C 1.081 177.823 176.600 0.236 0.000 0.983 84 K CA 0.542 56.926 56.287 0.161 0.000 0.974 84 K CB 0.311 32.900 32.500 0.149 0.000 0.913 84 K HN 0.250 nan 8.250 nan 0.000 0.493 85 N N 0.287 119.098 118.700 0.186 0.000 2.753 85 N HA -0.197 4.544 4.740 0.001 0.000 0.251 85 N C -1.011 174.597 175.510 0.164 0.000 1.097 85 N CA 1.403 54.585 53.050 0.221 0.000 0.786 85 N CB -1.352 37.325 38.487 0.316 0.000 1.137 85 N HN 0.642 nan 8.380 nan 0.000 0.566 86 I N 1.458 122.035 120.570 0.012 0.000 2.347 86 I HA 0.086 4.256 4.170 0.001 0.000 0.283 86 I C 0.527 176.671 176.117 0.046 0.000 1.058 86 I CA -0.566 60.675 61.300 -0.097 0.000 1.202 86 I CB 0.692 38.522 38.000 -0.284 0.000 1.386 86 I HN -0.125 nan 8.210 nan 0.000 0.475 87 E N 4.238 124.456 120.200 0.030 0.000 2.534 87 E HA -0.117 4.233 4.350 0.001 0.000 0.264 87 E C 0.957 177.524 176.600 -0.056 0.000 0.981 87 E CA -0.025 56.376 56.400 0.002 0.000 0.948 87 E CB 1.317 31.024 29.700 0.012 0.000 0.934 87 E HN 0.484 nan 8.360 nan 0.000 0.459 88 L N 4.007 125.124 121.223 -0.177 0.000 2.127 88 L HA -0.187 4.154 4.340 0.001 0.000 0.211 88 L C 1.950 178.606 176.870 -0.357 0.000 1.089 88 L CA 2.601 57.184 54.840 -0.428 0.000 0.757 88 L CB -0.866 40.936 42.059 -0.429 0.000 0.899 88 L HN 0.668 nan 8.230 nan 0.000 0.434 89 T N -2.780 111.670 114.554 -0.173 0.000 3.086 89 T HA 0.438 4.789 4.350 0.001 0.000 0.250 89 T C 0.943 175.757 174.700 0.190 0.000 1.074 89 T CA 0.074 62.154 62.100 -0.033 0.000 0.988 89 T CB -0.683 68.191 68.868 0.010 0.000 0.988 89 T HN 0.458 nan 8.240 nan 0.000 0.530 90 A N 1.547 124.425 122.820 0.097 0.000 2.584 90 A HA 0.462 4.783 4.320 0.001 0.000 0.239 90 A C 0.319 177.992 177.584 0.148 0.000 1.043 90 A CA -0.161 51.935 52.037 0.098 0.000 0.756 90 A CB -0.137 18.890 19.000 0.045 0.000 0.963 90 A HN 0.383 nan 8.150 nan 0.000 0.511 91 V N 3.584 123.537 119.914 0.065 0.000 2.612 91 V HA 0.636 4.756 4.120 0.001 0.000 0.301 91 V C 0.112 176.181 176.094 -0.043 0.000 1.046 91 V CA -0.348 61.937 62.300 -0.025 0.000 0.946 91 V CB 1.622 33.383 31.823 -0.104 0.000 1.003 91 V HN 0.989 nan 8.190 nan 0.000 0.459 92 M N 3.673 123.222 119.600 -0.087 0.000 2.183 92 M HA 0.654 5.134 4.480 0.001 0.000 0.277 92 M C 0.248 176.456 176.300 -0.153 0.000 0.995 92 M CA 0.928 56.148 55.300 -0.133 0.000 0.969 92 M CB 1.219 33.685 32.600 -0.224 0.000 1.659 92 M HN 1.021 nan 8.290 nan 0.000 0.462 93 G N 2.918 111.643 108.800 -0.126 0.000 2.609 93 G HA2 -0.307 3.653 3.960 0.001 0.000 0.288 93 G HA3 -0.307 3.653 3.960 0.001 0.000 0.288 93 G C 0.314 175.153 174.900 -0.102 0.000 1.211 93 G CA 0.655 45.690 45.100 -0.108 0.000 0.963 93 G HN 1.563 nan 8.290 nan 0.000 0.541 94 S N 0.213 115.846 115.700 -0.111 0.000 2.819 94 S HA 0.617 5.088 4.470 0.001 0.000 0.249 94 S C 0.548 175.047 174.600 -0.168 0.000 1.030 94 S CA 0.541 58.667 58.200 -0.124 0.000 1.052 94 S CB -0.234 62.910 63.200 -0.093 0.000 1.017 94 S HN 1.710 nan 8.310 nan 0.000 0.576 95 I N -2.251 118.217 120.570 -0.169 0.000 2.957 95 I HA 0.718 4.889 4.170 0.001 0.000 0.310 95 I C -1.026 174.977 176.117 -0.190 0.000 1.063 95 I CA -1.746 59.444 61.300 -0.182 0.000 1.033 95 I CB 0.938 38.887 38.000 -0.086 0.000 1.230 95 I HN -0.111 nan 8.210 nan 0.000 0.447 96 Y N 1.769 122.055 120.300 -0.024 0.000 2.497 96 Y HA 0.045 4.595 4.550 0.001 0.000 0.334 96 Y C 1.685 177.589 175.900 0.007 0.000 1.199 96 Y CA 0.388 58.479 58.100 -0.015 0.000 1.425 96 Y CB 0.623 39.071 38.460 -0.020 0.000 1.291 96 Y HN 0.670 nan 8.280 nan 0.000 0.562 97 Q N 1.814 121.716 119.800 0.171 0.000 2.135 97 Q HA -0.256 4.084 4.340 0.001 0.000 0.204 97 Q C 1.230 177.263 176.000 0.056 0.000 0.981 97 Q CA 1.772 57.617 55.803 0.071 0.000 0.856 97 Q CB -0.226 28.503 28.738 -0.015 0.000 0.902 97 Q HN 0.855 nan 8.270 nan 0.000 0.425 98 Y N 0.442 120.691 120.300 -0.086 0.000 2.181 98 Y HA -0.260 4.290 4.550 0.001 0.000 0.284 98 Y C 1.903 177.754 175.900 -0.081 0.000 1.179 98 Y CA 1.474 59.499 58.100 -0.124 0.000 1.179 98 Y CB -0.145 38.255 38.460 -0.100 0.000 0.973 98 Y HN 0.211 nan 8.280 nan 0.000 0.519 99 I N -1.616 119.034 120.570 0.133 0.000 2.439 99 I HA -0.285 3.886 4.170 0.001 0.000 0.251 99 I C 2.555 178.700 176.117 0.048 0.000 1.139 99 I CA 1.207 62.554 61.300 0.078 0.000 1.438 99 I CB -0.523 37.523 38.000 0.076 0.000 1.085 99 I HN 0.317 nan 8.210 nan 0.000 0.427 100 H N 1.093 120.116 119.070 -0.078 0.000 2.353 100 H HA -0.124 4.432 4.556 0.001 0.000 0.300 100 H C 2.290 177.531 175.328 -0.146 0.000 1.090 100 H CA 1.790 57.774 56.048 -0.105 0.000 1.327 100 H CB 0.304 29.995 29.762 -0.119 0.000 1.383 100 H HN 0.111 nan 8.280 nan 0.000 0.508 101 V N 1.343 121.020 119.914 -0.394 0.000 2.255 101 V HA -0.295 3.826 4.120 0.001 0.000 0.247 101 V C 3.029 179.076 176.094 -0.078 0.000 1.051 101 V CA 1.809 63.768 62.300 -0.568 0.000 1.018 101 V CB -1.191 30.140 31.823 -0.820 0.000 0.641 101 V HN 0.581 nan 8.190 nan 0.000 0.445 102 A N -0.616 122.158 122.820 -0.077 0.000 1.855 102 A HA -0.188 4.133 4.320 0.001 0.000 0.215 102 A C 2.109 179.684 177.584 -0.015 0.000 1.191 102 A CA 1.840 53.866 52.037 -0.019 0.000 0.613 102 A CB -0.741 18.267 19.000 0.015 0.000 0.829 102 A HN 0.472 nan 8.150 nan 0.000 0.442 103 F N 0.875 120.738 119.950 -0.144 0.000 2.043 103 F HA -0.273 4.254 4.527 0.001 0.000 0.297 103 F C 2.614 178.292 175.800 -0.202 0.000 1.121 103 F CA 2.438 60.346 58.000 -0.154 0.000 1.199 103 F CB -0.374 38.503 39.000 -0.205 0.000 0.968 103 F HN 0.220 nan 8.300 nan 0.000 0.478 104 Q N 0.440 120.044 119.800 -0.326 0.000 2.061 104 Q HA -0.158 4.182 4.340 0.001 0.000 0.204 104 Q C 2.586 178.284 176.000 -0.504 0.000 0.984 104 Q CA 1.583 57.158 55.803 -0.381 0.000 0.846 104 Q CB -1.608 27.056 28.738 -0.124 0.000 0.902 104 Q HN 0.604 nan 8.270 nan 0.000 0.421 105 G N 1.330 109.721 108.800 -0.681 0.000 2.476 105 G HA2 -0.340 3.620 3.960 0.001 0.000 0.218 105 G HA3 -0.340 3.620 3.960 0.001 0.000 0.218 105 G C 1.686 176.146 174.900 -0.732 0.000 1.164 105 G CA 2.031 46.275 45.100 -1.426 0.000 0.768 105 G HN 0.539 nan 8.290 nan 0.000 0.560 106 S N 0.407 115.880 115.700 -0.379 0.000 2.383 106 S HA -0.116 4.354 4.470 0.001 0.000 0.229 106 S C 2.114 176.602 174.600 -0.185 0.000 1.030 106 S CA 1.461 59.536 58.200 -0.208 0.000 1.002 106 S CB -0.581 62.562 63.200 -0.094 0.000 0.829 106 S HN 0.178 nan 8.310 nan 0.000 0.467 107 F N 2.664 122.337 119.950 -0.463 0.000 2.171 107 F HA 0.125 4.652 4.527 0.000 0.000 0.300 107 F C 2.860 178.461 175.800 -0.331 0.000 1.090 107 F CA 0.344 58.160 58.000 -0.307 0.000 1.293 107 F CB -1.088 37.761 39.000 -0.252 0.000 1.013 107 F HN 0.331 nan 8.300 nan 0.000 0.486 108 A N -1.248 121.308 122.820 -0.439 0.000 1.933 108 A HA -0.188 4.132 4.320 0.001 0.000 0.218 108 A C 2.350 179.629 177.584 -0.509 0.000 1.175 108 A CA 1.731 53.215 52.037 -0.922 0.000 0.628 108 A CB -1.445 16.936 19.000 -1.032 0.000 0.814 108 A HN 0.466 nan 8.150 nan 0.000 0.444 109 C N -1.379 117.720 119.300 -0.334 0.000 2.453 109 C HA -0.047 4.413 4.460 0.001 0.000 0.277 109 C C 2.459 177.418 174.990 -0.053 0.000 1.262 109 C CA 1.048 59.982 59.018 -0.140 0.000 1.718 109 C CB -1.164 26.552 27.740 -0.040 0.000 2.031 109 C HN 0.690 nan 8.230 nan 0.000 0.480 110 I N 1.149 121.661 120.570 -0.096 0.000 2.394 110 I HA -0.141 4.029 4.170 0.001 0.000 0.251 110 I C 2.340 178.412 176.117 -0.074 0.000 1.136 110 I CA 1.802 63.041 61.300 -0.102 0.000 1.425 110 I CB -0.643 37.229 38.000 -0.214 0.000 1.079 110 I HN 0.293 nan 8.210 nan 0.000 0.425 111 T N -0.155 114.362 114.554 -0.061 0.000 2.652 111 T HA -0.180 4.171 4.350 0.001 0.000 0.267 111 T C 2.025 176.763 174.700 0.063 0.000 1.039 111 T CA 2.005 64.132 62.100 0.046 0.000 1.153 111 T CB -0.597 68.341 68.868 0.117 0.000 0.863 111 T HN 0.207 nan 8.240 nan 0.000 0.428 112 V N 1.287 121.226 119.914 0.041 0.000 2.307 112 V HA -0.080 4.041 4.120 0.001 0.000 0.245 112 V C 2.878 179.012 176.094 0.068 0.000 1.045 112 V CA 1.994 64.340 62.300 0.076 0.000 1.024 112 V CB -1.285 30.588 31.823 0.083 0.000 0.651 112 V HN 0.628 nan 8.190 nan 0.000 0.449 113 G N -0.903 107.938 108.800 0.067 0.000 2.448 113 G HA2 -0.224 3.737 3.960 0.001 0.000 0.219 113 G HA3 -0.224 3.737 3.960 0.001 0.000 0.219 113 G C 1.631 176.596 174.900 0.109 0.000 1.127 113 G CA 0.776 45.925 45.100 0.083 0.000 0.766 113 G HN 0.464 nan 8.290 nan 0.000 0.552 114 L N -0.037 121.242 121.223 0.093 0.000 2.093 114 L HA 0.063 4.403 4.340 0.001 0.000 0.208 114 L C 2.645 179.656 176.870 0.234 0.000 1.085 114 L CA 0.886 55.813 54.840 0.146 0.000 0.755 114 L CB -0.080 41.982 42.059 0.005 0.000 0.904 114 L HN 0.254 nan 8.230 nan 0.000 0.435 115 I N -2.078 118.584 120.570 0.153 0.000 2.339 115 I HA -0.177 3.994 4.170 0.001 0.000 0.245 115 I C 2.352 178.497 176.117 0.047 0.000 1.096 115 I CA 0.509 61.896 61.300 0.144 0.000 1.408 115 I CB -0.335 37.628 38.000 -0.062 0.000 1.092 115 I HN -0.055 nan 8.210 nan 0.000 0.423 116 V N 1.608 121.530 119.914 0.014 0.000 2.295 116 V HA -0.222 3.899 4.120 0.001 0.000 0.246 116 V C 2.695 178.691 176.094 -0.163 0.000 1.049 116 V CA 2.304 64.584 62.300 -0.035 0.000 1.024 116 V CB -1.500 30.335 31.823 0.020 0.000 0.648 116 V HN 0.583 nan 8.190 nan 0.000 0.447 117 G N -0.324 108.341 108.800 -0.226 0.000 2.469 117 G HA2 -0.278 3.683 3.960 0.001 0.000 0.219 117 G HA3 -0.278 3.683 3.960 0.001 0.000 0.219 117 G C 1.727 175.926 174.900 -1.169 0.000 1.150 117 G CA 1.210 45.945 45.100 -0.608 0.000 0.763 117 G HN 0.638 nan 8.290 nan 0.000 0.561 118 A N -0.022 122.184 122.820 -1.024 0.000 1.968 118 A HA 0.280 4.601 4.320 0.001 0.000 0.217 118 A C 2.207 179.657 177.584 -0.224 0.000 1.169 118 A CA 1.010 52.681 52.037 -0.611 0.000 0.638 118 A CB -0.154 18.776 19.000 -0.116 0.000 0.812 118 A HN 0.365 nan 8.150 nan 0.000 0.446 119 L N -1.376 119.753 121.223 -0.157 0.000 2.693 119 L HA 0.217 4.557 4.340 0.001 0.000 0.235 119 L C 2.465 179.256 176.870 -0.130 0.000 1.127 119 L CA 0.432 55.206 54.840 -0.110 0.000 0.914 119 L CB -0.040 41.958 42.059 -0.103 0.000 1.193 119 L HN 0.339 nan 8.230 nan 0.000 0.502 120 A N 0.394 123.113 122.820 -0.168 0.000 1.972 120 A HA -0.190 4.130 4.320 0.001 0.000 0.219 120 A C 2.129 179.629 177.584 -0.141 0.000 1.169 120 A CA 1.372 53.309 52.037 -0.168 0.000 0.635 120 A CB -0.189 18.695 19.000 -0.194 0.000 0.810 120 A HN 0.419 nan 8.150 nan 0.000 0.446 121 E N -0.864 119.261 120.200 -0.124 0.000 2.021 121 E HA -0.200 4.151 4.350 0.001 0.000 0.200 121 E C 1.844 178.397 176.600 -0.078 0.000 1.015 121 E CA 1.340 57.685 56.400 -0.092 0.000 0.824 121 E CB -0.092 29.563 29.700 -0.076 0.000 0.762 121 E HN 0.499 nan 8.360 nan 0.000 0.454 122 R N 0.005 120.459 120.500 -0.076 0.000 2.546 122 R HA 0.298 4.638 4.340 0.001 0.000 0.320 122 R C -0.185 176.077 176.300 -0.063 0.000 1.021 122 R CA -0.187 55.874 56.100 -0.065 0.000 1.088 122 R CB 0.418 30.680 30.300 -0.064 0.000 1.278 122 R HN 0.085 nan 8.270 nan 0.000 0.557 123 I N 0.977 121.509 120.570 -0.063 0.000 2.404 123 I HA 0.271 4.441 4.170 0.001 0.000 0.293 123 I C -0.100 176.015 176.117 -0.004 0.000 0.992 123 I CA -1.078 60.201 61.300 -0.034 0.000 1.149 123 I CB 1.183 39.164 38.000 -0.032 0.000 1.315 123 I HN 0.040 nan 8.210 nan 0.000 0.446 124 R N 4.720 125.240 120.500 0.033 0.000 2.638 124 R HA -0.088 4.253 4.340 0.001 0.000 0.268 124 R C 0.462 176.860 176.300 0.162 0.000 1.006 124 R CA 0.225 56.374 56.100 0.083 0.000 1.088 124 R CB 0.363 30.710 30.300 0.078 0.000 0.950 124 R HN 0.654 nan 8.270 nan 0.000 0.419 125 F N 2.595 122.559 119.950 0.022 0.000 2.046 125 F HA -0.233 4.295 4.527 0.000 0.000 0.297 125 F C 2.413 178.240 175.800 0.046 0.000 1.123 125 F CA 2.383 60.402 58.000 0.032 0.000 1.199 125 F CB -0.867 38.150 39.000 0.028 0.000 0.972 125 F HN 0.714 nan 8.300 nan 0.000 0.474 126 S N 0.519 116.364 115.700 0.242 0.000 2.400 126 S HA -0.174 4.296 4.470 0.001 0.000 0.232 126 S C 2.256 176.938 174.600 0.138 0.000 1.025 126 S CA 0.981 59.241 58.200 0.100 0.000 0.993 126 S CB -1.264 61.957 63.200 0.036 0.000 0.808 126 S HN 0.433 nan 8.310 nan 0.000 0.478 127 A N 1.511 124.424 122.820 0.155 0.000 1.877 127 A HA 0.037 4.357 4.320 0.001 0.000 0.216 127 A C 2.440 180.148 177.584 0.205 0.000 1.186 127 A CA 1.544 53.673 52.037 0.153 0.000 0.620 127 A CB -1.277 17.796 19.000 0.123 0.000 0.822 127 A HN 0.537 nan 8.150 nan 0.000 0.443 128 V N 0.094 120.140 119.914 0.220 0.000 2.343 128 V HA -0.204 3.916 4.120 0.001 0.000 0.247 128 V C 2.382 178.655 176.094 0.299 0.000 1.051 128 V CA 2.071 64.519 62.300 0.245 0.000 1.036 128 V CB -0.453 31.470 31.823 0.167 0.000 0.654 128 V HN 0.573 nan 8.190 nan 0.000 0.451 129 L N -0.631 120.761 121.223 0.282 0.000 1.989 129 L HA -0.208 4.133 4.340 0.001 0.000 0.211 129 L C 2.448 179.414 176.870 0.159 0.000 1.071 129 L CA 2.307 57.273 54.840 0.211 0.000 0.749 129 L CB -0.541 41.594 42.059 0.127 0.000 0.890 129 L HN 0.291 nan 8.230 nan 0.000 0.431 130 I N -0.848 119.807 120.570 0.143 0.000 2.151 130 I HA -0.388 3.783 4.170 0.001 0.000 0.243 130 I C 2.502 178.683 176.117 0.107 0.000 1.080 130 I CA 1.678 63.040 61.300 0.105 0.000 1.339 130 I CB -0.332 37.726 38.000 0.096 0.000 1.039 130 I HN 0.166 nan 8.210 nan 0.000 0.409 131 F N 1.201 121.162 119.950 0.018 0.000 2.069 131 F HA -0.249 4.277 4.527 -0.000 0.000 0.298 131 F C 2.390 178.214 175.800 0.040 0.000 1.113 131 F CA 1.858 59.831 58.000 -0.045 0.000 1.214 131 F CB -0.595 38.326 39.000 -0.132 0.000 0.978 131 F HN -0.219 nan 8.300 nan 0.000 0.474 132 V N 0.142 120.107 119.914 0.086 0.000 2.231 132 V HA -0.382 3.738 4.120 0.001 0.000 0.250 132 V C 2.442 178.544 176.094 0.014 0.000 1.058 132 V CA 1.961 64.299 62.300 0.063 0.000 1.022 132 V CB -1.117 30.806 31.823 0.167 0.000 0.640 132 V HN 0.336 nan 8.190 nan 0.000 0.445 133 V N -0.275 119.664 119.914 0.041 0.000 2.231 133 V HA -0.305 3.815 4.120 0.001 0.000 0.250 133 V C 2.385 178.486 176.094 0.011 0.000 1.058 133 V CA 2.393 64.727 62.300 0.058 0.000 1.022 133 V CB -0.762 31.098 31.823 0.063 0.000 0.640 133 V HN 0.409 nan 8.190 nan 0.000 0.445 134 V N -1.405 118.467 119.914 -0.069 0.000 2.252 134 V HA -0.322 3.799 4.120 0.001 0.000 0.249 134 V C 1.982 178.013 176.094 -0.106 0.000 1.056 134 V CA 2.695 64.935 62.300 -0.100 0.000 1.022 134 V CB -0.778 30.963 31.823 -0.136 0.000 0.641 134 V HN 0.789 nan 8.190 nan 0.000 0.445 135 W N -0.014 121.002 121.300 -0.474 0.000 2.436 135 W HA -0.056 4.604 4.660 -0.000 0.000 0.284 135 W C 2.153 178.612 176.519 -0.099 0.000 1.225 135 W CA 1.344 58.452 57.345 -0.395 0.000 1.271 135 W CB -0.081 28.875 29.460 -0.841 0.000 1.114 135 W HN 0.212 nan 8.180 nan 0.000 0.559 136 L N 0.224 121.517 121.223 0.117 0.000 2.056 136 L HA -0.151 4.190 4.340 0.001 0.000 0.207 136 L C 2.274 179.191 176.870 0.078 0.000 1.078 136 L CA 2.589 57.502 54.840 0.122 0.000 0.749 136 L CB -1.097 41.068 42.059 0.176 0.000 0.901 136 L HN -0.155 nan 8.230 nan 0.000 0.433 137 T N -0.440 114.164 114.554 0.083 0.000 2.812 137 T HA -0.029 4.321 4.350 0.001 0.000 0.264 137 T C 1.682 176.397 174.700 0.025 0.000 1.042 137 T CA 1.658 63.829 62.100 0.118 0.000 1.140 137 T CB -0.112 68.830 68.868 0.124 0.000 0.870 137 T HN 0.270 nan 8.240 nan 0.000 0.445 138 L N -0.224 120.980 121.223 -0.033 0.000 2.616 138 L HA 0.327 4.668 4.340 0.001 0.000 0.229 138 L C 2.149 179.080 176.870 0.101 0.000 1.110 138 L CA 0.215 55.061 54.840 0.011 0.000 0.884 138 L CB 0.227 42.269 42.059 -0.029 0.000 1.115 138 L HN 0.185 nan 8.230 nan 0.000 0.481 139 S N -1.484 114.100 115.700 -0.193 0.000 3.313 139 S HA -0.021 4.449 4.470 0.001 0.000 0.247 139 S C 1.642 175.917 174.600 -0.542 0.000 1.058 139 S CA -0.168 57.823 58.200 -0.347 0.000 0.794 139 S CB -0.277 62.369 63.200 -0.922 0.000 0.842 139 S HN 0.306 nan 8.310 nan 0.000 0.526 140 Y N 2.359 122.161 120.300 -0.830 0.000 2.181 140 Y HA 0.037 4.587 4.550 0.000 0.000 0.288 140 Y C 1.858 177.634 175.900 -0.207 0.000 1.146 140 Y CA 2.008 59.807 58.100 -0.500 0.000 1.164 140 Y CB -0.292 37.974 38.460 -0.323 0.000 0.982 140 Y HN 0.324 nan 8.280 nan 0.000 0.515 141 I N 0.146 120.686 120.570 -0.050 0.000 2.163 141 I HA -0.205 3.965 4.170 0.001 0.000 0.240 141 I C -0.723 175.304 176.117 -0.150 0.000 1.081 141 I CA 1.099 62.393 61.300 -0.010 0.000 1.353 141 I CB -1.376 36.698 38.000 0.123 0.000 1.054 141 I HN 0.187 nan 8.210 nan 0.000 0.407 142 P HA -0.117 nan 4.420 nan 0.000 0.216 142 P C 1.854 178.897 177.300 -0.430 0.000 1.153 142 P CA 1.530 64.525 63.100 -0.175 0.000 0.848 142 P CB 0.005 31.651 31.700 -0.089 0.000 0.787 143 I N -0.396 119.794 120.570 -0.633 0.000 2.226 143 I HA -0.258 3.913 4.170 0.001 0.000 0.245 143 I C 2.389 178.158 176.117 -0.580 0.000 1.100 143 I CA 1.541 62.453 61.300 -0.647 0.000 1.374 143 I CB -0.882 36.749 38.000 -0.615 0.000 1.057 143 I HN -0.098 nan 8.210 nan 0.000 0.413 144 A N 0.001 122.441 122.820 -0.632 0.000 1.908 144 A HA -0.327 3.993 4.320 0.001 0.000 0.218 144 A C 2.188 179.505 177.584 -0.444 0.000 1.181 144 A CA 2.261 53.959 52.037 -0.565 0.000 0.627 144 A CB -1.049 17.635 19.000 -0.527 0.000 0.818 144 A HN 0.535 nan 8.150 nan 0.000 0.445 145 H N -0.826 117.961 119.070 -0.472 0.000 2.353 145 H HA -0.010 4.547 4.556 0.001 0.000 0.300 145 H C 2.017 177.155 175.328 -0.317 0.000 1.090 145 H CA 2.166 57.979 56.048 -0.393 0.000 1.327 145 H CB -0.184 29.412 29.762 -0.278 0.000 1.383 145 H HN 0.436 nan 8.280 nan 0.000 0.508 146 M N -1.020 118.400 119.600 -0.300 0.000 2.132 146 M HA -0.136 4.345 4.480 0.001 0.000 0.263 146 M C 2.131 178.244 176.300 -0.311 0.000 1.065 146 M CA 1.224 56.331 55.300 -0.321 0.000 1.122 146 M CB 0.161 32.554 32.600 -0.346 0.000 1.365 146 M HN 0.188 nan 8.290 nan 0.000 0.411 147 V N -1.896 117.787 119.914 -0.385 0.000 2.379 147 V HA -0.152 3.969 4.120 0.001 0.000 0.243 147 V C 1.478 177.436 176.094 -0.227 0.000 1.035 147 V CA 1.274 63.329 62.300 -0.407 0.000 1.035 147 V CB -0.231 31.166 31.823 -0.711 0.000 0.673 147 V HN 0.572 nan 8.190 nan 0.000 0.457 148 W N -0.306 120.923 121.300 -0.119 0.000 2.998 148 W HA 0.464 5.125 4.660 0.001 0.000 0.336 148 W C 1.724 178.255 176.519 0.019 0.000 1.112 148 W CA 0.316 57.667 57.345 0.010 0.000 1.682 148 W CB -0.166 29.394 29.460 0.166 0.000 1.065 148 W HN 0.308 nan 8.180 nan 0.000 0.570 149 G N -0.256 108.487 108.800 -0.094 0.000 3.605 149 G HA2 0.358 4.319 3.960 0.001 0.000 0.277 149 G HA3 0.358 4.319 3.960 0.001 0.000 0.277 149 G C 1.149 175.791 174.900 -0.430 0.000 1.093 149 G CA 0.121 45.043 45.100 -0.297 0.000 0.821 149 G HN 0.226 nan 8.290 nan 0.000 0.532 150 G N -0.474 108.195 108.800 -0.218 0.000 2.273 150 G HA2 0.008 3.968 3.960 0.001 0.000 0.280 150 G HA3 0.008 3.968 3.960 0.001 0.000 0.280 150 G C 0.776 175.509 174.900 -0.279 0.000 1.047 150 G CA 0.425 45.414 45.100 -0.185 0.000 0.869 150 G HN 0.956 nan 8.290 nan 0.000 0.502 151 G N -1.455 107.118 108.800 -0.378 0.000 2.531 151 G HA2 0.589 4.549 3.960 0.001 0.000 0.281 151 G HA3 0.589 4.549 3.960 0.001 0.000 0.281 151 G C 1.297 176.050 174.900 -0.245 0.000 1.382 151 G CA -0.010 44.899 45.100 -0.318 0.000 1.045 151 G HN 0.895 nan 8.290 nan 0.000 0.533 152 L N -0.682 120.349 121.223 -0.319 0.000 2.058 152 L HA -0.222 4.118 4.340 0.001 0.000 0.226 152 L C 2.742 179.624 176.870 0.020 0.000 1.089 152 L CA 1.982 56.705 54.840 -0.197 0.000 0.799 152 L CB -0.453 41.388 42.059 -0.364 0.000 0.900 152 L HN 0.504 nan 8.230 nan 0.000 0.442 153 L N -1.722 119.450 121.223 -0.085 0.000 2.095 153 L HA -0.086 4.254 4.340 0.001 0.000 0.204 153 L C 2.635 179.503 176.870 -0.003 0.000 1.080 153 L CA 0.931 55.746 54.840 -0.042 0.000 0.759 153 L CB -0.844 41.142 42.059 -0.120 0.000 0.914 153 L HN 0.375 nan 8.230 nan 0.000 0.439 154 A N 0.396 123.186 122.820 -0.051 0.000 1.877 154 A HA -0.228 4.093 4.320 0.001 0.000 0.216 154 A C 2.425 180.002 177.584 -0.013 0.000 1.186 154 A CA 2.047 54.075 52.037 -0.016 0.000 0.620 154 A CB -0.811 18.170 19.000 -0.032 0.000 0.822 154 A HN 0.495 nan 8.150 nan 0.000 0.443 155 S N -1.459 114.207 115.700 -0.058 0.000 2.603 155 S HA -0.077 4.394 4.470 0.001 0.000 0.229 155 S C 1.008 175.464 174.600 -0.240 0.000 0.972 155 S CA 1.200 59.320 58.200 -0.133 0.000 0.935 155 S CB -0.638 62.453 63.200 -0.182 0.000 0.769 155 S HN 0.698 nan 8.310 nan 0.000 0.536 156 H N 0.283 119.333 119.070 -0.032 0.000 2.755 156 H HA 0.447 5.003 4.556 0.001 0.000 0.273 156 H C 1.329 176.676 175.328 0.032 0.000 1.055 156 H CA 0.122 56.170 56.048 -0.000 0.000 1.191 156 H CB 0.703 30.451 29.762 -0.024 0.000 1.536 156 H HN 0.488 nan 8.280 nan 0.000 0.529 157 G N 0.721 109.579 108.800 0.097 0.000 2.203 157 G HA2 -0.171 3.789 3.960 0.001 0.000 0.231 157 G HA3 -0.171 3.789 3.960 0.001 0.000 0.231 157 G C 0.119 175.064 174.900 0.075 0.000 1.058 157 G CA 0.010 45.162 45.100 0.087 0.000 0.781 157 G HN 0.607 nan 8.290 nan 0.000 0.496 158 A N 0.244 123.101 122.820 0.062 0.000 2.362 158 A HA 0.687 5.008 4.320 0.001 0.000 0.276 158 A C 0.677 178.297 177.584 0.061 0.000 1.153 158 A CA -0.192 51.871 52.037 0.044 0.000 0.813 158 A CB 0.337 19.347 19.000 0.016 0.000 1.081 158 A HN 0.922 nan 8.150 nan 0.000 0.507 159 L N 3.291 124.534 121.223 0.033 0.000 2.295 159 L HA 0.325 4.666 4.340 0.001 0.000 0.288 159 L C -0.244 176.757 176.870 0.217 0.000 1.079 159 L CA -0.138 54.693 54.840 -0.015 0.000 0.830 159 L CB 0.397 42.287 42.059 -0.283 0.000 1.200 159 L HN 0.669 nan 8.230 nan 0.000 0.438 160 D N 2.471 123.116 120.400 0.408 0.000 2.328 160 D HA 0.069 4.710 4.640 0.001 0.000 0.243 160 D C 0.319 177.055 176.300 0.726 0.000 1.324 160 D CA -0.493 53.800 54.000 0.489 0.000 0.966 160 D CB 0.719 41.663 40.800 0.239 0.000 1.324 160 D HN 0.240 nan 8.370 nan 0.000 0.549 161 F N 3.083 123.433 119.950 0.666 0.000 2.069 161 F HA -0.009 4.519 4.527 0.001 0.000 0.298 161 F C 1.807 177.916 175.800 0.514 0.000 1.113 161 F CA 2.134 60.423 58.000 0.481 0.000 1.214 161 F CB 0.399 39.501 39.000 0.169 0.000 0.978 161 F HN 0.453 nan 8.300 nan 0.000 0.474 162 A N -1.576 121.686 122.820 0.737 0.000 2.603 162 A HA 0.552 4.873 4.320 0.001 0.000 0.277 162 A C 0.886 179.018 177.584 0.914 0.000 1.158 162 A CA 0.393 52.825 52.037 0.657 0.000 0.962 162 A CB -0.338 19.042 19.000 0.633 0.000 1.189 162 A HN 0.914 nan 8.150 nan 0.000 0.552 163 G N -1.024 108.326 108.800 0.917 0.000 2.237 163 G HA2 0.016 3.976 3.960 0.001 0.000 0.153 163 G HA3 0.016 3.976 3.960 0.001 0.000 0.153 163 G C 1.045 176.222 174.900 0.463 0.000 1.039 163 G CA 0.297 45.744 45.100 0.578 0.000 0.719 163 G HN 1.170 nan 8.290 nan 0.000 0.491 164 G N 0.241 109.344 108.800 0.503 0.000 2.440 164 G HA2 -0.027 3.934 3.960 0.001 0.000 0.218 164 G HA3 -0.027 3.934 3.960 0.001 0.000 0.218 164 G C 1.894 177.008 174.900 0.356 0.000 1.154 164 G CA 2.617 48.018 45.100 0.502 0.000 0.767 164 G HN 1.496 nan 8.290 nan 0.000 0.552 165 T N -1.443 113.228 114.554 0.195 0.000 2.901 165 T HA 0.042 4.392 4.350 0.001 0.000 0.252 165 T C 2.347 177.077 174.700 0.049 0.000 1.035 165 T CA 1.175 63.338 62.100 0.105 0.000 1.142 165 T CB -0.386 68.480 68.868 -0.004 0.000 0.869 165 T HN 0.016 nan 8.240 nan 0.000 0.442 166 V N 1.728 121.584 119.914 -0.097 0.000 2.307 166 V HA -0.084 4.037 4.120 0.001 0.000 0.245 166 V C 2.862 179.037 176.094 0.135 0.000 1.045 166 V CA 1.429 63.607 62.300 -0.203 0.000 1.024 166 V CB -0.758 30.672 31.823 -0.654 0.000 0.651 166 V HN 0.395 nan 8.190 nan 0.000 0.449 167 V N -0.965 119.081 119.914 0.221 0.000 2.374 167 V HA -0.066 4.054 4.120 0.001 0.000 0.241 167 V C 2.349 178.541 176.094 0.164 0.000 1.034 167 V CA 1.502 63.927 62.300 0.207 0.000 1.037 167 V CB -0.749 31.064 31.823 -0.017 0.000 0.682 167 V HN 0.509 nan 8.190 nan 0.000 0.463 168 H N -0.187 119.117 119.070 0.391 0.000 2.273 168 H HA 0.133 4.689 4.556 0.001 0.000 0.311 168 H C 2.358 177.904 175.328 0.362 0.000 1.057 168 H CA 1.774 58.068 56.048 0.410 0.000 1.360 168 H CB -0.317 29.713 29.762 0.447 0.000 1.414 168 H HN 0.261 nan 8.280 nan 0.000 0.516 169 I N 1.307 122.138 120.570 0.435 0.000 2.208 169 I HA -0.284 3.887 4.170 0.001 0.000 0.245 169 I C 2.449 178.763 176.117 0.328 0.000 1.097 169 I CA 1.111 62.612 61.300 0.336 0.000 1.363 169 I CB -0.352 37.803 38.000 0.258 0.000 1.051 169 I HN 0.180 nan 8.210 nan 0.000 0.413 170 N N 1.064 119.969 118.700 0.341 0.000 2.011 170 N HA -0.246 4.495 4.740 0.001 0.000 0.199 170 N C 1.836 177.686 175.510 0.566 0.000 1.047 170 N CA 2.313 55.638 53.050 0.458 0.000 0.863 170 N CB -0.367 38.385 38.487 0.441 0.000 1.056 170 N HN 0.392 nan 8.380 nan 0.000 0.427 171 A N 0.064 123.154 122.820 0.450 0.000 1.898 171 A HA 0.107 4.427 4.320 0.001 0.000 0.216 171 A C 2.350 179.980 177.584 0.076 0.000 1.181 171 A CA 2.029 54.177 52.037 0.184 0.000 0.620 171 A CB -1.123 17.990 19.000 0.187 0.000 0.819 171 A HN 0.447 nan 8.150 nan 0.000 0.442 172 A N 0.086 123.060 122.820 0.257 0.000 1.908 172 A HA -0.097 4.224 4.320 0.001 0.000 0.218 172 A C 1.999 179.594 177.584 0.017 0.000 1.181 172 A CA 1.724 53.927 52.037 0.276 0.000 0.627 172 A CB -0.477 18.778 19.000 0.425 0.000 0.818 172 A HN 0.418 nan 8.150 nan 0.000 0.445 173 I N -0.139 120.497 120.570 0.110 0.000 2.202 173 I HA -0.188 3.982 4.170 0.001 0.000 0.242 173 I C 2.984 179.113 176.117 0.020 0.000 1.091 173 I CA 1.343 62.701 61.300 0.097 0.000 1.368 173 I CB -1.763 36.359 38.000 0.203 0.000 1.058 173 I HN 0.350 nan 8.210 nan 0.000 0.410 174 A N 1.153 123.989 122.820 0.027 0.000 1.917 174 A HA -0.163 4.157 4.320 0.001 0.000 0.219 174 A C 2.497 179.924 177.584 -0.261 0.000 1.182 174 A CA 2.123 54.114 52.037 -0.075 0.000 0.633 174 A CB -1.385 17.278 19.000 -0.563 0.000 0.819 174 A HN 0.455 nan 8.150 nan 0.000 0.448 175 G N -0.593 107.790 108.800 -0.694 0.000 2.402 175 G HA2 -0.080 3.881 3.960 0.001 0.000 0.216 175 G HA3 -0.080 3.881 3.960 0.001 0.000 0.216 175 G C 1.507 175.926 174.900 -0.803 0.000 1.162 175 G CA 0.987 45.282 45.100 -1.341 0.000 0.777 175 G HN 0.437 nan 8.290 nan 0.000 0.539 176 L N 0.219 121.152 121.223 -0.484 0.000 2.240 176 L HA 0.044 4.384 4.340 0.001 0.000 0.211 176 L C 2.846 179.698 176.870 -0.029 0.000 1.106 176 L CA 0.006 54.777 54.840 -0.114 0.000 0.793 176 L CB -0.045 42.025 42.059 0.018 0.000 0.927 176 L HN 0.064 nan 8.230 nan 0.000 0.446 177 V N -0.057 119.837 119.914 -0.034 0.000 2.358 177 V HA -0.173 3.947 4.120 0.001 0.000 0.246 177 V C 2.574 178.577 176.094 -0.151 0.000 1.047 177 V CA 1.869 64.196 62.300 0.045 0.000 1.035 177 V CB -1.156 30.797 31.823 0.216 0.000 0.658 177 V HN 0.551 nan 8.190 nan 0.000 0.452 178 G N 0.144 108.702 108.800 -0.403 0.000 2.628 178 G HA2 -0.338 3.622 3.960 0.001 0.000 0.217 178 G HA3 -0.338 3.622 3.960 0.001 0.000 0.217 178 G C 1.827 176.513 174.900 -0.358 0.000 1.240 178 G CA 1.597 46.255 45.100 -0.736 0.000 0.792 178 G HN 0.621 nan 8.290 nan 0.000 0.593 179 A N -0.151 122.573 122.820 -0.161 0.000 1.915 179 A HA -0.235 4.085 4.320 0.001 0.000 0.220 179 A C 2.307 179.874 177.584 -0.027 0.000 1.198 179 A CA 2.244 54.254 52.037 -0.045 0.000 0.647 179 A CB -0.946 18.088 19.000 0.056 0.000 0.825 179 A HN 0.589 nan 8.150 nan 0.000 0.456 180 Y N -0.290 119.949 120.300 -0.103 0.000 2.274 180 Y HA 0.062 4.611 4.550 -0.000 0.000 0.290 180 Y C 0.930 176.785 175.900 -0.076 0.000 1.145 180 Y CA 1.081 59.146 58.100 -0.059 0.000 1.203 180 Y CB -0.017 38.433 38.460 -0.017 0.000 0.984 180 Y HN 0.219 nan 8.280 nan 0.000 0.533 195 P HA 0.026 nan 4.420 nan 0.000 0.254 195 P C 0.241 177.542 177.300 0.002 0.000 1.186 195 P CA 0.336 63.428 63.100 -0.014 0.000 0.868 195 P CB -0.137 31.525 31.700 -0.063 0.000 0.856 196 H N 1.327 120.365 119.070 -0.053 0.000 2.639 196 H HA 0.182 4.738 4.556 0.001 0.000 0.267 196 H C -0.122 175.182 175.328 -0.039 0.000 0.958 196 H CA 0.201 56.224 56.048 -0.041 0.000 1.221 196 H CB 0.555 30.297 29.762 -0.034 0.000 1.446 196 H HN 0.194 nan 8.280 nan 0.000 0.512 197 N N 1.212 119.550 118.700 -0.602 0.000 2.727 197 N HA 0.151 4.892 4.740 0.001 0.000 0.252 197 N C 0.645 175.994 175.510 -0.268 0.000 1.283 197 N CA -0.204 52.621 53.050 -0.374 0.000 0.782 197 N CB 0.753 38.999 38.487 -0.401 0.000 1.199 197 N HN 0.169 nan 8.380 nan 0.000 0.520 198 L N 1.706 122.825 121.223 -0.173 0.000 2.046 198 L HA -0.012 4.329 4.340 0.001 0.000 0.208 198 L C -0.671 176.165 176.870 -0.057 0.000 1.077 198 L CA 1.223 55.987 54.840 -0.127 0.000 0.747 198 L CB -1.215 40.786 42.059 -0.098 0.000 0.896 198 L HN 0.321 nan 8.230 nan 0.000 0.432 199 P HA -0.274 nan 4.420 nan 0.000 0.216 199 P C 1.839 179.178 177.300 0.063 0.000 1.154 199 P CA 1.799 64.916 63.100 0.028 0.000 0.865 199 P CB -0.064 31.631 31.700 -0.008 0.000 0.789 200 M N -0.828 118.753 119.600 -0.030 0.000 2.117 200 M HA -0.142 4.338 4.480 0.001 0.000 0.262 200 M C 1.637 177.895 176.300 -0.070 0.000 1.065 200 M CA 1.867 57.138 55.300 -0.050 0.000 1.114 200 M CB -0.464 32.076 32.600 -0.100 0.000 1.361 200 M HN -0.237 nan 8.290 nan 0.000 0.408 201 V N 0.577 120.411 119.914 -0.133 0.000 2.332 201 V HA -0.291 3.829 4.120 0.001 0.000 0.248 201 V C 2.198 178.270 176.094 -0.037 0.000 1.055 201 V CA 2.159 64.334 62.300 -0.209 0.000 1.038 201 V CB -1.222 30.399 31.823 -0.337 0.000 0.651 201 V HN 0.585 nan 8.190 nan 0.000 0.450 202 F N 1.670 121.558 119.950 -0.104 0.000 2.095 202 F HA -0.228 4.299 4.527 0.001 0.000 0.298 202 F C 2.431 178.214 175.800 -0.027 0.000 1.104 202 F CA 2.376 60.340 58.000 -0.060 0.000 1.232 202 F CB -0.767 38.193 39.000 -0.066 0.000 0.987 202 F HN 0.123 nan 8.300 nan 0.000 0.475 203 T N 0.010 114.518 114.554 -0.076 0.000 2.652 203 T HA -0.145 4.206 4.350 0.001 0.000 0.267 203 T C 2.173 176.760 174.700 -0.188 0.000 1.039 203 T CA 1.612 63.623 62.100 -0.149 0.000 1.153 203 T CB -1.334 67.530 68.868 -0.007 0.000 0.863 203 T HN 0.471 nan 8.240 nan 0.000 0.428 204 G N 1.221 109.963 108.800 -0.096 0.000 2.440 204 G HA2 -0.243 3.718 3.960 0.001 0.000 0.218 204 G HA3 -0.243 3.718 3.960 0.001 0.000 0.218 204 G C 1.729 176.575 174.900 -0.091 0.000 1.154 204 G CA 1.580 46.642 45.100 -0.064 0.000 0.767 204 G HN 0.481 nan 8.290 nan 0.000 0.552 205 T N 1.910 116.447 114.554 -0.028 0.000 2.652 205 T HA -0.063 4.287 4.350 0.001 0.000 0.267 205 T C 2.827 177.392 174.700 -0.225 0.000 1.039 205 T CA 1.823 63.852 62.100 -0.119 0.000 1.153 205 T CB -0.604 68.210 68.868 -0.090 0.000 0.863 205 T HN 0.405 nan 8.240 nan 0.000 0.428 206 A N 1.304 123.888 122.820 -0.393 0.000 1.903 206 A HA -0.139 4.182 4.320 0.001 0.000 0.219 206 A C 2.340 179.848 177.584 -0.126 0.000 1.191 206 A CA 1.742 53.589 52.037 -0.316 0.000 0.638 206 A CB -0.985 17.715 19.000 -0.500 0.000 0.823 206 A HN 0.556 nan 8.150 nan 0.000 0.451 207 I N -0.630 119.810 120.570 -0.217 0.000 2.315 207 I HA -0.244 3.926 4.170 0.001 0.000 0.248 207 I C 2.367 178.333 176.117 -0.251 0.000 1.117 207 I CA 1.018 62.123 61.300 -0.325 0.000 1.404 207 I CB -0.334 37.293 38.000 -0.622 0.000 1.071 207 I HN 0.299 nan 8.210 nan 0.000 0.419 208 L N -0.442 120.665 121.223 -0.193 0.000 2.079 208 L HA -0.271 4.069 4.340 0.001 0.000 0.210 208 L C 2.678 179.589 176.870 0.068 0.000 1.081 208 L CA 1.564 56.340 54.840 -0.107 0.000 0.752 208 L CB -0.711 41.274 42.059 -0.124 0.000 0.896 208 L HN 0.282 nan 8.230 nan 0.000 0.433 209 Y N 0.389 120.632 120.300 -0.095 0.000 2.163 209 Y HA -0.221 4.329 4.550 0.001 0.000 0.288 209 Y C 2.439 178.299 175.900 -0.067 0.000 1.136 209 Y CA 1.325 59.342 58.100 -0.138 0.000 1.147 209 Y CB 0.024 38.382 38.460 -0.169 0.000 0.987 209 Y HN -0.051 nan 8.280 nan 0.000 0.509 210 I N 0.399 120.993 120.570 0.039 0.000 2.142 210 I HA -0.244 3.926 4.170 0.001 0.000 0.240 210 I C 2.697 178.926 176.117 0.187 0.000 1.078 210 I CA 1.715 63.116 61.300 0.168 0.000 1.343 210 I CB -1.978 36.169 38.000 0.245 0.000 1.046 210 I HN 0.418 nan 8.210 nan 0.000 0.405 211 G N 0.107 108.979 108.800 0.119 0.000 2.469 211 G HA2 -0.286 3.675 3.960 0.001 0.000 0.219 211 G HA3 -0.286 3.675 3.960 0.001 0.000 0.219 211 G C 1.561 176.504 174.900 0.071 0.000 1.150 211 G CA 0.306 45.476 45.100 0.116 0.000 0.763 211 G HN 0.393 nan 8.290 nan 0.000 0.561 212 W N 0.854 122.002 121.300 -0.253 0.000 2.341 212 W HA -0.063 4.597 4.660 0.001 0.000 0.283 212 W C 2.012 178.361 176.519 -0.283 0.000 1.215 212 W CA 0.744 57.886 57.345 -0.337 0.000 1.211 212 W CB -0.520 28.620 29.460 -0.534 0.000 1.131 212 W HN 0.273 nan 8.180 nan 0.000 0.552 213 F N 0.286 120.267 119.950 0.052 0.000 2.134 213 F HA -0.114 4.413 4.527 0.001 0.000 0.299 213 F C 2.732 178.610 175.800 0.130 0.000 1.097 213 F CA 1.794 59.751 58.000 -0.071 0.000 1.264 213 F CB -1.467 37.317 39.000 -0.360 0.000 1.001 213 F HN -0.157 nan 8.300 nan 0.000 0.479 214 G N -0.791 108.186 108.800 0.295 0.000 2.442 214 G HA2 -0.310 3.650 3.960 0.001 0.000 0.219 214 G HA3 -0.310 3.650 3.960 0.001 0.000 0.219 214 G C 1.621 176.739 174.900 0.363 0.000 1.141 214 G CA 0.831 46.073 45.100 0.238 0.000 0.763 214 G HN 0.349 nan 8.290 nan 0.000 0.554 215 F N 1.947 121.977 119.950 0.134 0.000 2.053 215 F HA 0.016 4.543 4.527 0.000 0.000 0.292 215 F C 2.456 178.473 175.800 0.362 0.000 1.125 215 F CA 1.698 59.717 58.000 0.032 0.000 1.193 215 F CB -0.178 38.514 39.000 -0.513 0.000 0.996 215 F HN 0.035 nan 8.300 nan 0.000 0.470 216 N N 0.653 119.773 118.700 0.700 0.000 2.171 216 N HA -0.069 4.671 4.740 0.001 0.000 0.184 216 N C 1.853 177.701 175.510 0.564 0.000 1.021 216 N CA 1.552 54.994 53.050 0.653 0.000 0.854 216 N CB -0.861 37.971 38.487 0.576 0.000 0.994 216 N HN 0.424 nan 8.380 nan 0.000 0.426 217 A N 0.448 123.565 122.820 0.494 0.000 1.874 217 A HA 0.153 4.473 4.320 0.001 0.000 0.214 217 A C 2.309 180.181 177.584 0.480 0.000 1.189 217 A CA 1.476 53.837 52.037 0.540 0.000 0.615 217 A CB -1.168 18.235 19.000 0.673 0.000 0.830 217 A HN 0.309 nan 8.150 nan 0.000 0.443 218 G N -0.297 108.640 108.800 0.228 0.000 2.499 218 G HA2 -0.180 3.781 3.960 0.001 0.000 0.221 218 G HA3 -0.180 3.781 3.960 0.001 0.000 0.221 218 G C 1.507 176.327 174.900 -0.133 0.000 1.109 218 G CA 1.296 46.288 45.100 -0.179 0.000 0.749 218 G HN 0.473 nan 8.290 nan 0.000 0.568 219 S N 0.536 116.368 115.700 0.220 0.000 2.595 219 S HA 0.165 4.635 4.470 0.001 0.000 0.235 219 S C 2.436 176.899 174.600 -0.229 0.000 0.974 219 S CA 0.631 58.803 58.200 -0.047 0.000 0.942 219 S CB -0.019 63.114 63.200 -0.111 0.000 0.766 219 S HN 0.604 nan 8.310 nan 0.000 0.536 220 A N 0.795 123.692 122.820 0.127 0.000 2.119 220 A HA 0.421 4.742 4.320 0.001 0.000 0.216 220 A C 1.950 179.540 177.584 0.011 0.000 1.152 220 A CA 0.933 53.073 52.037 0.171 0.000 0.708 220 A CB -0.853 18.330 19.000 0.304 0.000 0.805 220 A HN 0.823 nan 8.150 nan 0.000 0.460 221 G N -2.025 106.728 108.800 -0.078 0.000 2.189 221 G HA2 -0.186 3.774 3.960 0.001 0.000 0.267 221 G HA3 -0.186 3.774 3.960 0.001 0.000 0.267 221 G C 0.431 175.317 174.900 -0.024 0.000 0.975 221 G CA 1.278 46.299 45.100 -0.132 0.000 0.644 221 G HN 1.656 nan 8.290 nan 0.000 0.537 222 T N -2.023 112.582 114.554 0.085 0.000 2.893 222 T HA 0.651 5.001 4.350 0.001 0.000 0.337 222 T C -0.141 174.511 174.700 -0.081 0.000 1.587 222 T CA 0.583 62.707 62.100 0.040 0.000 1.066 222 T CB 0.967 69.821 68.868 -0.024 0.000 1.414 222 T HN 1.689 nan 8.240 nan 0.000 0.488 223 A N 4.044 126.671 122.820 -0.322 0.000 3.077 223 A HA 0.445 4.765 4.320 0.001 0.000 0.255 223 A C 0.650 178.014 177.584 -0.366 0.000 1.728 223 A CA -0.381 51.213 52.037 -0.739 0.000 1.383 223 A CB -1.321 17.206 19.000 -0.789 0.000 1.097 223 A HN 0.781 nan 8.150 nan 0.000 0.634 224 N N -0.539 118.028 118.700 -0.221 0.000 2.879 224 N HA 0.136 4.876 4.740 0.001 0.000 0.329 224 N C 0.943 176.396 175.510 -0.095 0.000 1.337 224 N CA -0.133 52.843 53.050 -0.124 0.000 0.844 224 N CB 0.174 38.625 38.487 -0.061 0.000 1.236 224 N HN 0.216 nan 8.380 nan 0.000 0.601 225 E N -0.219 119.948 120.200 -0.055 0.000 2.204 225 E HA -0.109 4.241 4.350 0.001 0.000 0.194 225 E C 1.388 177.978 176.600 -0.016 0.000 0.989 225 E CA 0.817 57.193 56.400 -0.039 0.000 0.824 225 E CB -0.239 29.443 29.700 -0.029 0.000 0.756 225 E HN 0.560 nan 8.360 nan 0.000 0.477 226 I N 1.911 122.483 120.570 0.004 0.000 2.286 226 I HA -0.096 4.074 4.170 0.001 0.000 0.245 226 I C 2.661 178.806 176.117 0.047 0.000 1.104 226 I CA 1.115 62.422 61.300 0.013 0.000 1.397 226 I CB -1.459 36.583 38.000 0.070 0.000 1.072 226 I HN 0.129 nan 8.210 nan 0.000 0.417 227 A N 1.028 123.908 122.820 0.100 0.000 1.933 227 A HA -0.110 4.210 4.320 0.001 0.000 0.218 227 A C 2.573 180.265 177.584 0.179 0.000 1.175 227 A CA 1.880 54.032 52.037 0.192 0.000 0.628 227 A CB -0.644 18.433 19.000 0.129 0.000 0.814 227 A HN 0.407 nan 8.150 nan 0.000 0.444 228 A N -0.398 122.454 122.820 0.053 0.000 1.877 228 A HA -0.016 4.304 4.320 0.001 0.000 0.216 228 A C 2.120 179.763 177.584 0.099 0.000 1.186 228 A CA 1.709 53.767 52.037 0.034 0.000 0.620 228 A CB -0.673 18.299 19.000 -0.047 0.000 0.822 228 A HN 0.678 nan 8.150 nan 0.000 0.443 229 L N -0.049 121.204 121.223 0.049 0.000 1.989 229 L HA -0.113 4.227 4.340 0.001 0.000 0.211 229 L C 2.668 179.571 176.870 0.056 0.000 1.071 229 L CA 2.447 57.304 54.840 0.028 0.000 0.749 229 L CB -0.924 41.115 42.059 -0.034 0.000 0.890 229 L HN 0.348 nan 8.230 nan 0.000 0.431 230 A N -1.410 121.432 122.820 0.038 0.000 1.972 230 A HA -0.222 4.098 4.320 0.001 0.000 0.219 230 A C 2.220 179.938 177.584 0.223 0.000 1.169 230 A CA 1.668 53.732 52.037 0.044 0.000 0.635 230 A CB -1.048 17.952 19.000 -0.000 0.000 0.810 230 A HN 0.523 nan 8.150 nan 0.000 0.446 231 F N 0.658 120.714 119.950 0.177 0.000 2.031 231 F HA -0.155 4.372 4.527 0.001 0.000 0.295 231 F C 2.381 178.312 175.800 0.219 0.000 1.133 231 F CA 2.006 60.168 58.000 0.270 0.000 1.188 231 F CB -0.633 38.483 39.000 0.194 0.000 0.974 231 F HN 0.029 nan 8.300 nan 0.000 0.473 232 V N 1.141 121.361 119.914 0.509 0.000 2.231 232 V HA -0.422 3.698 4.120 0.001 0.000 0.250 232 V C 2.263 178.484 176.094 0.211 0.000 1.058 232 V CA 2.360 64.854 62.300 0.324 0.000 1.022 232 V CB -0.984 30.942 31.823 0.173 0.000 0.640 232 V HN 0.394 nan 8.190 nan 0.000 0.445 233 N N -0.125 118.659 118.700 0.140 0.000 2.192 233 N HA -0.162 4.579 4.740 0.001 0.000 0.188 233 N C 1.865 177.410 175.510 0.059 0.000 1.013 233 N CA 1.965 55.058 53.050 0.071 0.000 0.863 233 N CB -0.663 37.844 38.487 0.033 0.000 0.990 233 N HN 0.530 nan 8.380 nan 0.000 0.430 234 T N 0.920 115.521 114.554 0.079 0.000 2.708 234 T HA -0.063 4.287 4.350 0.001 0.000 0.266 234 T C 2.170 176.894 174.700 0.040 0.000 1.037 234 T CA 1.029 63.112 62.100 -0.028 0.000 1.146 234 T CB -0.353 68.421 68.868 -0.157 0.000 0.865 234 T HN -0.018 nan 8.240 nan 0.000 0.435 235 V N 1.303 121.352 119.914 0.225 0.000 2.287 235 V HA -0.172 3.948 4.120 0.001 0.000 0.248 235 V C 2.662 178.850 176.094 0.156 0.000 1.053 235 V CA 1.491 63.969 62.300 0.297 0.000 1.027 235 V CB -0.799 31.215 31.823 0.318 0.000 0.646 235 V HN 0.320 nan 8.190 nan 0.000 0.447 236 V N 0.235 120.210 119.914 0.103 0.000 2.261 236 V HA -0.245 3.876 4.120 0.001 0.000 0.246 236 V C 2.692 178.788 176.094 0.003 0.000 1.047 236 V CA 2.126 64.453 62.300 0.045 0.000 1.015 236 V CB -1.187 30.654 31.823 0.030 0.000 0.642 236 V HN 0.559 nan 8.190 nan 0.000 0.446 237 A N -0.073 122.735 122.820 -0.020 0.000 1.898 237 A HA -0.189 4.131 4.320 0.001 0.000 0.216 237 A C 2.396 179.931 177.584 -0.082 0.000 1.181 237 A CA 2.362 54.362 52.037 -0.061 0.000 0.620 237 A CB -0.972 17.980 19.000 -0.080 0.000 0.819 237 A HN 0.526 nan 8.150 nan 0.000 0.442 238 T N 0.653 115.152 114.554 -0.091 0.000 2.674 238 T HA -0.069 4.282 4.350 0.001 0.000 0.265 238 T C 2.254 176.890 174.700 -0.107 0.000 1.039 238 T CA 1.757 63.777 62.100 -0.133 0.000 1.150 238 T CB -0.636 68.180 68.868 -0.087 0.000 0.864 238 T HN 0.605 nan 8.240 nan 0.000 0.427 239 A N 1.806 124.595 122.820 -0.052 0.000 1.892 239 A HA 0.012 4.332 4.320 0.001 0.000 0.218 239 A C 2.702 180.268 177.584 -0.030 0.000 1.188 239 A CA 2.246 54.259 52.037 -0.040 0.000 0.631 239 A CB -1.345 17.654 19.000 -0.002 0.000 0.822 239 A HN 0.545 nan 8.150 nan 0.000 0.447 240 A N -0.298 122.506 122.820 -0.027 0.000 1.883 240 A HA 0.112 4.432 4.320 0.001 0.000 0.217 240 A C 2.569 180.155 177.584 0.003 0.000 1.186 240 A CA 2.504 54.528 52.037 -0.021 0.000 0.624 240 A CB -1.217 17.762 19.000 -0.035 0.000 0.822 240 A HN 1.198 nan 8.150 nan 0.000 0.444 241 A N -0.035 122.782 122.820 -0.006 0.000 1.883 241 A HA -0.150 4.170 4.320 0.001 0.000 0.217 241 A C 2.126 179.763 177.584 0.087 0.000 1.186 241 A CA 1.666 53.726 52.037 0.039 0.000 0.624 241 A CB -0.755 18.237 19.000 -0.014 0.000 0.822 241 A HN 0.514 nan 8.150 nan 0.000 0.444 242 I N -0.167 120.406 120.570 0.006 0.000 2.087 242 I HA -0.356 3.814 4.170 0.001 0.000 0.240 242 I C 2.469 178.651 176.117 0.109 0.000 1.054 242 I CA 1.873 63.180 61.300 0.012 0.000 1.311 242 I CB -0.474 37.490 38.000 -0.060 0.000 1.024 242 I HN 0.339 nan 8.210 nan 0.000 0.402 243 L N 0.103 121.372 121.223 0.077 0.000 2.046 243 L HA -0.136 4.204 4.340 0.001 0.000 0.208 243 L C 2.699 179.677 176.870 0.179 0.000 1.077 243 L CA 1.558 56.459 54.840 0.101 0.000 0.747 243 L CB -1.388 40.690 42.059 0.032 0.000 0.896 243 L HN 0.368 nan 8.230 nan 0.000 0.432 244 G N -0.588 108.309 108.800 0.162 0.000 2.422 244 G HA2 -0.279 3.681 3.960 0.001 0.000 0.218 244 G HA3 -0.279 3.681 3.960 0.001 0.000 0.218 244 G C 1.368 176.440 174.900 0.286 0.000 1.146 244 G CA 0.281 45.498 45.100 0.196 0.000 0.769 244 G HN 0.421 nan 8.290 nan 0.000 0.547 245 W N 1.051 122.413 121.300 0.102 0.000 2.378 245 W HA -0.021 4.639 4.660 0.000 0.000 0.313 245 W C 2.140 178.726 176.519 0.111 0.000 1.197 245 W CA 0.698 58.098 57.345 0.092 0.000 1.304 245 W CB -0.445 29.041 29.460 0.043 0.000 1.148 245 W HN 0.092 nan 8.180 nan 0.000 0.494 246 I N 0.626 121.487 120.570 0.485 0.000 2.286 246 I HA -0.282 3.888 4.170 0.001 0.000 0.248 246 I C 2.456 178.768 176.117 0.325 0.000 1.115 246 I CA 1.397 62.915 61.300 0.364 0.000 1.392 246 I CB -1.812 36.324 38.000 0.226 0.000 1.065 246 I HN -0.071 nan 8.210 nan 0.000 0.418 247 F N 1.807 121.866 119.950 0.181 0.000 2.186 247 F HA -0.039 4.488 4.527 0.001 0.000 0.299 247 F C 2.319 178.281 175.800 0.269 0.000 1.090 247 F CA 1.480 59.592 58.000 0.186 0.000 1.307 247 F CB -0.615 38.432 39.000 0.078 0.000 1.019 247 F HN 0.024 nan 8.300 nan 0.000 0.489 248 G N -0.257 108.578 108.800 0.060 0.000 2.402 248 G HA2 -0.283 3.677 3.960 0.001 0.000 0.216 248 G HA3 -0.283 3.677 3.960 0.001 0.000 0.216 248 G C 1.540 176.364 174.900 -0.126 0.000 1.162 248 G CA 0.790 45.821 45.100 -0.115 0.000 0.777 248 G HN 0.477 nan 8.290 nan 0.000 0.539 249 E N -0.636 119.567 120.200 0.005 0.000 2.077 249 E HA -0.166 4.185 4.350 0.001 0.000 0.193 249 E C 2.029 178.647 176.600 0.031 0.000 0.989 249 E CA 1.060 57.492 56.400 0.052 0.000 0.800 249 E CB -0.310 29.528 29.700 0.230 0.000 0.746 249 E HN 0.593 nan 8.360 nan 0.000 0.452 250 W N 0.995 122.231 121.300 -0.107 0.000 2.335 250 W HA -0.205 4.455 4.660 0.001 0.000 0.311 250 W C 2.106 178.498 176.519 -0.212 0.000 1.213 250 W CA 2.339 59.607 57.345 -0.128 0.000 1.274 250 W CB -0.464 28.937 29.460 -0.098 0.000 1.148 250 W HN 0.138 nan 8.180 nan 0.000 0.498 251 A N 0.302 122.925 122.820 -0.328 0.000 1.930 251 A HA -0.125 4.195 4.320 0.001 0.000 0.217 251 A C 2.099 179.393 177.584 -0.483 0.000 1.175 251 A CA 1.783 53.439 52.037 -0.635 0.000 0.627 251 A CB -0.896 17.816 19.000 -0.481 0.000 0.815 251 A HN 0.436 nan 8.150 nan 0.000 0.443 252 L N -1.756 119.280 121.223 -0.311 0.000 2.084 252 L HA 0.005 4.345 4.340 0.001 0.000 0.202 252 L C 2.520 179.262 176.870 -0.214 0.000 1.074 252 L CA 0.931 55.639 54.840 -0.220 0.000 0.757 252 L CB -0.294 41.674 42.059 -0.151 0.000 0.918 252 L HN 0.255 nan 8.230 nan 0.000 0.444 253 R N -0.470 119.913 120.500 -0.196 0.000 2.362 253 R HA 0.166 4.507 4.340 0.001 0.000 0.227 253 R C 1.200 177.386 176.300 -0.191 0.000 0.905 253 R CA 0.673 56.684 56.100 -0.148 0.000 1.067 253 R CB 0.809 31.068 30.300 -0.069 0.000 1.078 253 R HN 0.496 nan 8.270 nan 0.000 0.516 254 G N 2.331 110.921 108.800 -0.351 0.000 2.234 254 G HA2 -0.346 3.614 3.960 0.001 0.000 0.260 254 G HA3 -0.346 3.614 3.960 0.001 0.000 0.260 254 G C 0.020 174.784 174.900 -0.227 0.000 0.987 254 G CA 0.896 45.748 45.100 -0.415 0.000 0.625 254 G HN 0.434 nan 8.290 nan 0.000 0.532 255 K N -1.064 119.307 120.400 -0.049 0.000 2.587 255 K HA 0.635 4.956 4.320 0.001 0.000 0.276 255 K C -3.576 173.116 176.600 0.153 0.000 0.956 255 K CA -1.944 54.427 56.287 0.141 0.000 0.857 255 K CB 1.820 34.371 32.500 0.086 0.000 1.431 255 K HN 0.019 nan 8.250 nan 0.000 0.420 256 P HA 0.140 nan 4.420 nan 0.000 0.274 256 P C -0.944 176.410 177.300 0.091 0.000 1.237 256 P CA -0.483 62.707 63.100 0.150 0.000 0.793 256 P CB 1.042 32.821 31.700 0.131 0.000 0.977 257 S N 0.546 116.295 115.700 0.081 0.000 2.599 257 S HA 0.347 4.817 4.470 0.001 0.000 0.294 257 S C 0.639 175.239 174.600 0.000 0.000 1.094 257 S CA -0.650 57.571 58.200 0.034 0.000 0.931 257 S CB 0.883 64.106 63.200 0.038 0.000 1.093 257 S HN 0.254 nan 8.310 nan 0.000 0.488 258 L N 1.070 122.275 121.223 -0.029 0.000 2.046 258 L HA 0.071 4.411 4.340 0.001 0.000 0.208 258 L C 2.043 178.877 176.870 -0.061 0.000 1.077 258 L CA 1.693 56.503 54.840 -0.050 0.000 0.747 258 L CB -1.071 40.948 42.059 -0.068 0.000 0.896 258 L HN 0.832 nan 8.230 nan 0.000 0.432 259 L N -0.269 120.914 121.223 -0.067 0.000 2.083 259 L HA -0.019 4.321 4.340 0.001 0.000 0.209 259 L C 2.300 179.059 176.870 -0.186 0.000 1.083 259 L CA 1.975 56.752 54.840 -0.105 0.000 0.752 259 L CB -1.409 40.604 42.059 -0.076 0.000 0.899 259 L HN 0.331 nan 8.230 nan 0.000 0.433 260 G N -1.282 107.442 108.800 -0.127 0.000 2.404 260 G HA2 -0.218 3.743 3.960 0.001 0.000 0.215 260 G HA3 -0.218 3.743 3.960 0.001 0.000 0.215 260 G C 1.625 176.158 174.900 -0.612 0.000 1.174 260 G CA 0.808 45.744 45.100 -0.275 0.000 0.780 260 G HN 0.600 nan 8.290 nan 0.000 0.537 261 A N 0.285 122.956 122.820 -0.247 0.000 1.873 261 A HA -0.154 4.167 4.320 0.001 0.000 0.218 261 A C 2.626 180.047 177.584 -0.272 0.000 1.193 261 A CA 2.024 53.946 52.037 -0.192 0.000 0.629 261 A CB -1.185 17.773 19.000 -0.069 0.000 0.826 261 A HN 0.446 nan 8.150 nan 0.000 0.447 262 C N -0.696 118.477 119.300 -0.212 0.000 2.413 262 C HA -0.077 4.384 4.460 0.001 0.000 0.276 262 C C 3.264 178.060 174.990 -0.323 0.000 1.236 262 C CA 1.270 60.181 59.018 -0.178 0.000 1.735 262 C CB -1.430 26.286 27.740 -0.039 0.000 2.031 262 C HN 0.631 nan 8.230 nan 0.000 0.474 263 S N 0.826 116.208 115.700 -0.530 0.000 2.370 263 S HA -0.094 4.377 4.470 0.001 0.000 0.226 263 S C 2.125 176.180 174.600 -0.909 0.000 1.033 263 S CA 1.620 59.349 58.200 -0.784 0.000 1.011 263 S CB -0.868 61.606 63.200 -1.210 0.000 0.852 263 S HN 0.768 nan 8.310 nan 0.000 0.457 264 G N 1.687 109.866 108.800 -1.035 0.000 2.491 264 G HA2 -0.168 3.792 3.960 0.001 0.000 0.218 264 G HA3 -0.168 3.792 3.960 0.001 0.000 0.218 264 G C 1.616 176.365 174.900 -0.251 0.000 1.180 264 G CA 1.145 46.025 45.100 -0.367 0.000 0.774 264 G HN 0.601 nan 8.290 nan 0.000 0.562 265 A N 0.902 123.538 122.820 -0.307 0.000 1.903 265 A HA -0.122 4.199 4.320 0.001 0.000 0.219 265 A C 2.378 179.739 177.584 -0.371 0.000 1.191 265 A CA 1.815 53.660 52.037 -0.320 0.000 0.638 265 A CB -0.370 18.424 19.000 -0.343 0.000 0.823 265 A HN 0.331 nan 8.150 nan 0.000 0.451 266 I N -0.482 119.861 120.570 -0.379 0.000 2.315 266 I HA -0.204 3.967 4.170 0.001 0.000 0.248 266 I C 2.981 178.847 176.117 -0.419 0.000 1.117 266 I CA 1.297 62.337 61.300 -0.433 0.000 1.404 266 I CB -1.592 36.176 38.000 -0.386 0.000 1.071 266 I HN 0.389 nan 8.210 nan 0.000 0.419 267 A N 1.346 124.012 122.820 -0.257 0.000 1.892 267 A HA -0.178 4.143 4.320 0.001 0.000 0.218 267 A C 2.502 179.981 177.584 -0.175 0.000 1.188 267 A CA 2.218 54.187 52.037 -0.114 0.000 0.631 267 A CB -1.403 17.689 19.000 0.153 0.000 0.822 267 A HN 0.430 nan 8.150 nan 0.000 0.447 268 G N -0.666 108.014 108.800 -0.199 0.000 2.408 268 G HA2 -0.089 3.872 3.960 0.001 0.000 0.217 268 G HA3 -0.089 3.872 3.960 0.001 0.000 0.217 268 G C 1.584 176.274 174.900 -0.351 0.000 1.150 268 G CA 0.968 45.944 45.100 -0.207 0.000 0.776 268 G HN 0.423 nan 8.290 nan 0.000 0.542 269 L N 0.087 120.938 121.223 -0.620 0.000 2.005 269 L HA -0.074 4.266 4.340 0.001 0.000 0.207 269 L C 3.026 179.394 176.870 -0.838 0.000 1.072 269 L CA 0.550 54.695 54.840 -1.159 0.000 0.744 269 L CB -0.507 40.302 42.059 -2.083 0.000 0.895 269 L HN 0.085 nan 8.230 nan 0.000 0.433 270 V N 0.166 119.707 119.914 -0.622 0.000 2.233 270 V HA -0.260 3.860 4.120 0.001 0.000 0.247 270 V C 2.617 178.652 176.094 -0.097 0.000 1.050 270 V CA 2.168 64.252 62.300 -0.360 0.000 1.010 270 V CB -1.415 30.058 31.823 -0.585 0.000 0.637 270 V HN 0.595 nan 8.190 nan 0.000 0.444 271 G N -1.066 107.670 108.800 -0.106 0.000 2.475 271 G HA2 -0.232 3.728 3.960 0.001 0.000 0.220 271 G HA3 -0.232 3.728 3.960 0.001 0.000 0.220 271 G C 1.682 176.622 174.900 0.066 0.000 1.125 271 G CA 1.243 46.348 45.100 0.008 0.000 0.755 271 G HN 0.406 nan 8.290 nan 0.000 0.565 272 V N 0.304 120.229 119.914 0.018 0.000 3.235 272 V HA -0.018 4.102 4.120 0.001 0.000 0.259 272 V C 2.870 179.100 176.094 0.227 0.000 1.133 272 V CA 1.997 64.343 62.300 0.076 0.000 1.128 272 V CB -0.435 31.377 31.823 -0.017 0.000 0.757 272 V HN 0.384 nan 8.190 nan 0.000 0.469 273 T N 2.081 116.843 114.554 0.347 0.000 2.592 273 T HA -0.151 4.199 4.350 0.001 0.000 0.267 273 T C -0.223 174.847 174.700 0.618 0.000 1.060 273 T CA 2.461 64.949 62.100 0.647 0.000 1.167 273 T CB -1.266 68.160 68.868 0.929 0.000 0.863 273 T HN 0.558 nan 8.240 nan 0.000 0.431 274 P HA 0.189 nan 4.420 nan 0.000 0.225 274 P C 0.908 178.543 177.300 0.558 0.000 1.156 274 P CA 0.984 64.415 63.100 0.550 0.000 0.787 274 P CB -0.032 31.928 31.700 0.434 0.000 0.802 275 A N -0.104 122.961 122.820 0.408 0.000 2.115 275 A HA 0.001 4.321 4.320 0.001 0.000 0.211 275 A C 2.355 180.034 177.584 0.158 0.000 1.169 275 A CA 0.735 52.982 52.037 0.349 0.000 0.787 275 A CB -1.660 17.498 19.000 0.264 0.000 0.858 275 A HN 0.382 nan 8.150 nan 0.000 0.474 276 C N -1.246 118.108 119.300 0.090 0.000 2.396 276 C HA -0.035 4.425 4.460 0.001 0.000 0.277 276 C C 2.444 177.192 174.990 -0.403 0.000 1.231 276 C CA 0.867 59.842 59.018 -0.070 0.000 1.775 276 C CB -1.725 26.046 27.740 0.052 0.000 2.036 276 C HN 0.511 nan 8.230 nan 0.000 0.484 277 G N -2.134 106.016 108.800 -1.083 0.000 2.985 277 G HA2 0.241 4.201 3.960 0.001 0.000 0.209 277 G HA3 0.241 4.201 3.960 0.001 0.000 0.209 277 G C 0.883 175.237 174.900 -0.909 0.000 1.165 277 G CA 0.409 44.503 45.100 -1.677 0.000 0.776 277 G HN 0.674 nan 8.290 nan 0.000 0.541 278 Y N -0.036 120.153 120.300 -0.185 0.000 2.453 278 Y HA 0.388 4.938 4.550 0.001 0.000 0.247 278 Y C 0.942 176.833 175.900 -0.014 0.000 1.124 278 Y CA -1.445 56.640 58.100 -0.025 0.000 1.243 278 Y CB 0.286 38.793 38.460 0.078 0.000 1.213 278 Y HN 0.197 nan 8.280 nan 0.000 0.523 279 I N -2.231 118.403 120.570 0.107 0.000 2.846 279 I HA 0.896 5.066 4.170 0.001 0.000 0.307 279 I C 0.572 176.718 176.117 0.048 0.000 1.053 279 I CA -1.387 59.977 61.300 0.106 0.000 1.050 279 I CB 1.644 39.728 38.000 0.141 0.000 1.239 279 I HN -0.028 nan 8.210 nan 0.000 0.439 280 G N 1.871 110.705 108.800 0.057 0.000 2.539 280 G HA2 0.364 4.324 3.960 0.001 0.000 0.258 280 G HA3 0.364 4.324 3.960 0.001 0.000 0.258 280 G C 1.032 175.936 174.900 0.007 0.000 1.202 280 G CA -0.160 44.958 45.100 0.031 0.000 0.851 280 G HN 0.990 nan 8.290 nan 0.000 0.556 281 V N 0.570 120.487 119.914 0.004 0.000 2.453 281 V HA -0.128 3.992 4.120 0.001 0.000 0.252 281 V C 2.567 178.641 176.094 -0.033 0.000 1.068 281 V CA 2.346 64.642 62.300 -0.006 0.000 1.070 281 V CB -1.442 30.385 31.823 0.008 0.000 0.664 281 V HN 0.777 nan 8.190 nan 0.000 0.461 282 G N 1.014 109.797 108.800 -0.027 0.000 2.511 282 G HA2 -0.136 3.824 3.960 0.001 0.000 0.216 282 G HA3 -0.136 3.824 3.960 0.001 0.000 0.216 282 G C 1.627 176.436 174.900 -0.152 0.000 1.218 282 G CA 1.174 46.244 45.100 -0.050 0.000 0.788 282 G HN 0.806 nan 8.290 nan 0.000 0.560 283 G N 1.240 109.942 108.800 -0.164 0.000 2.513 283 G HA2 -0.075 3.885 3.960 0.001 0.000 0.219 283 G HA3 -0.075 3.885 3.960 0.001 0.000 0.219 283 G C 2.091 176.775 174.900 -0.360 0.000 1.160 283 G CA 1.910 46.754 45.100 -0.428 0.000 0.767 283 G HN 0.777 nan 8.290 nan 0.000 0.571 284 A N 0.408 123.133 122.820 -0.157 0.000 1.883 284 A HA -0.006 4.314 4.320 0.001 0.000 0.217 284 A C 2.437 179.948 177.584 -0.123 0.000 1.186 284 A CA 1.749 53.724 52.037 -0.104 0.000 0.624 284 A CB -0.523 18.452 19.000 -0.041 0.000 0.822 284 A HN 0.481 nan 8.150 nan 0.000 0.444 285 L N -0.143 121.008 121.223 -0.121 0.000 1.976 285 L HA -0.143 4.197 4.340 0.001 0.000 0.209 285 L C 2.418 179.208 176.870 -0.133 0.000 1.071 285 L CA 1.785 56.564 54.840 -0.102 0.000 0.746 285 L CB -0.303 41.710 42.059 -0.078 0.000 0.890 285 L HN 0.464 nan 8.230 nan 0.000 0.432 286 I N -0.109 120.338 120.570 -0.205 0.000 2.185 286 I HA -0.386 3.784 4.170 0.001 0.000 0.246 286 I C 2.484 178.479 176.117 -0.203 0.000 1.088 286 I CA 1.828 62.991 61.300 -0.228 0.000 1.347 286 I CB -0.529 37.245 38.000 -0.377 0.000 1.041 286 I HN 0.349 nan 8.210 nan 0.000 0.415 287 I N 0.731 121.147 120.570 -0.256 0.000 2.315 287 I HA -0.176 3.994 4.170 0.001 0.000 0.248 287 I C 2.688 178.767 176.117 -0.063 0.000 1.117 287 I CA 1.425 62.646 61.300 -0.131 0.000 1.404 287 I CB -0.736 37.201 38.000 -0.106 0.000 1.071 287 I HN 0.259 nan 8.210 nan 0.000 0.419 288 G N 0.610 109.366 108.800 -0.074 0.000 2.453 288 G HA2 -0.201 3.760 3.960 0.001 0.000 0.215 288 G HA3 -0.201 3.760 3.960 0.001 0.000 0.215 288 G C 1.694 176.586 174.900 -0.014 0.000 1.201 288 G CA 0.948 46.019 45.100 -0.048 0.000 0.784 288 G HN 0.212 nan 8.290 nan 0.000 0.545 289 V N 0.664 120.566 119.914 -0.021 0.000 2.252 289 V HA -0.218 3.902 4.120 0.001 0.000 0.249 289 V C 3.084 179.193 176.094 0.025 0.000 1.056 289 V CA 1.804 64.108 62.300 0.005 0.000 1.022 289 V CB -0.687 31.125 31.823 -0.020 0.000 0.641 289 V HN 0.246 nan 8.190 nan 0.000 0.445 290 V N 0.164 120.083 119.914 0.008 0.000 2.407 290 V HA -0.223 3.897 4.120 0.001 0.000 0.248 290 V C 2.616 178.734 176.094 0.039 0.000 1.055 290 V CA 1.897 64.209 62.300 0.021 0.000 1.049 290 V CB -1.128 30.708 31.823 0.022 0.000 0.662 290 V HN 0.566 nan 8.190 nan 0.000 0.455 291 A N 0.520 123.365 122.820 0.042 0.000 1.929 291 A HA 0.031 4.351 4.320 0.001 0.000 0.216 291 A C 2.408 180.063 177.584 0.119 0.000 1.176 291 A CA 1.608 53.683 52.037 0.064 0.000 0.628 291 A CB -1.074 17.943 19.000 0.028 0.000 0.816 291 A HN 0.493 nan 8.150 nan 0.000 0.444 292 G N 0.186 109.069 108.800 0.138 0.000 2.459 292 G HA2 -0.187 3.773 3.960 0.001 0.000 0.217 292 G HA3 -0.187 3.773 3.960 0.001 0.000 0.217 292 G C 1.553 176.537 174.900 0.139 0.000 1.183 292 G CA 1.160 46.425 45.100 0.275 0.000 0.776 292 G HN 0.418 nan 8.290 nan 0.000 0.552 293 L N 0.779 122.038 121.223 0.059 0.000 2.046 293 L HA -0.014 4.326 4.340 0.001 0.000 0.208 293 L C 3.401 180.268 176.870 -0.006 0.000 1.077 293 L CA 1.145 55.975 54.840 -0.017 0.000 0.747 293 L CB -0.399 41.680 42.059 0.033 0.000 0.896 293 L HN 0.294 nan 8.230 nan 0.000 0.432 294 A N 0.215 123.067 122.820 0.054 0.000 1.930 294 A HA -0.084 4.236 4.320 0.001 0.000 0.217 294 A C 2.415 180.125 177.584 0.211 0.000 1.175 294 A CA 1.566 53.686 52.037 0.138 0.000 0.627 294 A CB -1.297 17.755 19.000 0.087 0.000 0.815 294 A HN 0.430 nan 8.150 nan 0.000 0.443 295 G N 0.218 109.100 108.800 0.137 0.000 2.514 295 G HA2 -0.238 3.722 3.960 0.001 0.000 0.217 295 G HA3 -0.238 3.722 3.960 0.001 0.000 0.217 295 G C 1.512 176.306 174.900 -0.177 0.000 1.198 295 G CA 1.367 46.572 45.100 0.175 0.000 0.780 295 G HN 0.562 nan 8.290 nan 0.000 0.565 296 L N -0.374 120.335 121.223 -0.857 0.000 2.012 296 L HA -0.018 4.322 4.340 0.001 0.000 0.210 296 L C 2.487 179.112 176.870 -0.407 0.000 1.073 296 L CA 2.115 56.232 54.840 -1.205 0.000 0.748 296 L CB -0.811 40.369 42.059 -1.465 0.000 0.891 296 L HN 0.481 nan 8.230 nan 0.000 0.431 297 W N 0.475 121.579 121.300 -0.327 0.000 2.335 297 W HA -0.119 4.541 4.660 0.000 0.000 0.311 297 W C 2.224 178.682 176.519 -0.102 0.000 1.213 297 W CA 2.529 59.773 57.345 -0.168 0.000 1.274 297 W CB -0.858 28.540 29.460 -0.104 0.000 1.148 297 W HN 0.227 nan 8.180 nan 0.000 0.498 298 G N 0.724 109.503 108.800 -0.034 0.000 2.480 298 G HA2 -0.340 3.620 3.960 0.001 0.000 0.216 298 G HA3 -0.340 3.620 3.960 0.001 0.000 0.216 298 G C 1.493 176.252 174.900 -0.235 0.000 1.200 298 G CA 2.582 47.572 45.100 -0.182 0.000 0.782 298 G HN 0.557 nan 8.290 nan 0.000 0.554 299 V N -1.102 118.758 119.914 -0.090 0.000 2.469 299 V HA -0.147 3.974 4.120 0.001 0.000 0.251 299 V C 2.614 178.634 176.094 -0.124 0.000 1.064 299 V CA 2.627 64.907 62.300 -0.032 0.000 1.066 299 V CB -1.414 30.479 31.823 0.116 0.000 0.667 299 V HN 0.284 nan 8.190 nan 0.000 0.461 300 T N 0.775 115.191 114.554 -0.230 0.000 2.737 300 T HA 0.047 4.397 4.350 0.001 0.000 0.265 300 T C 1.075 175.591 174.700 -0.307 0.000 1.038 300 T CA 1.542 63.492 62.100 -0.249 0.000 1.144 300 T CB -0.301 68.403 68.868 -0.274 0.000 0.866 300 T HN 0.341 nan 8.240 nan 0.000 0.434 312 C N 1.156 120.510 119.300 0.090 0.000 5.885 312 C HA -0.283 4.177 4.460 0.001 0.000 0.328 312 C C 2.016 177.113 174.990 0.179 0.000 2.431 312 C CA 2.626 61.794 59.018 0.251 0.000 2.195 312 C CB -1.694 26.158 27.740 0.186 0.000 3.233 312 C HN 0.973 nan 8.230 nan 0.000 0.262 313 D N 0.084 120.541 120.400 0.095 0.000 2.117 313 D HA -0.080 4.560 4.640 0.001 0.000 0.197 313 D C 1.894 178.252 176.300 0.097 0.000 0.987 313 D CA 1.938 55.998 54.000 0.100 0.000 0.829 313 D CB -0.051 40.801 40.800 0.088 0.000 0.961 313 D HN 0.609 nan 8.370 nan 0.000 0.460 314 V N 0.438 120.348 119.914 -0.007 0.000 2.324 314 V HA -0.284 3.836 4.120 0.001 0.000 0.250 314 V C 1.859 177.987 176.094 0.056 0.000 1.060 314 V CA 1.476 63.757 62.300 -0.031 0.000 1.042 314 V CB -0.801 30.904 31.823 -0.196 0.000 0.650 314 V HN 0.158 nan 8.190 nan 0.000 0.450 315 F N 1.714 121.815 119.950 0.252 0.000 2.325 315 F HA 0.168 4.696 4.527 0.002 0.000 0.299 315 F C 2.410 178.343 175.800 0.221 0.000 1.090 315 F CA 0.814 58.953 58.000 0.233 0.000 1.392 315 F CB -1.391 37.706 39.000 0.162 0.000 1.053 315 F HN 0.187 nan 8.300 nan 0.000 0.521 316 G N -0.195 108.797 108.800 0.321 0.000 2.422 316 G HA2 -0.121 3.839 3.960 0.001 0.000 0.218 316 G HA3 -0.121 3.839 3.960 0.001 0.000 0.218 316 G C 1.784 176.821 174.900 0.228 0.000 1.140 316 G CA 1.054 46.296 45.100 0.237 0.000 0.775 316 G HN 0.261 nan 8.290 nan 0.000 0.545 317 V N 0.085 120.131 119.914 0.220 0.000 2.302 317 V HA -0.093 4.027 4.120 0.001 0.000 0.243 317 V C 2.460 178.604 176.094 0.084 0.000 1.036 317 V CA 1.406 63.799 62.300 0.155 0.000 1.020 317 V CB -0.638 31.243 31.823 0.097 0.000 0.657 317 V HN 0.405 nan 8.190 nan 0.000 0.453 318 H N 0.235 119.397 119.070 0.152 0.000 2.387 318 H HA -0.124 4.432 4.556 0.001 0.000 0.299 318 H C 2.287 177.754 175.328 0.231 0.000 1.099 318 H CA 1.832 57.987 56.048 0.179 0.000 1.315 318 H CB -0.366 29.575 29.762 0.299 0.000 1.380 318 H HN 0.499 nan 8.280 nan 0.000 0.513 319 G N 0.208 109.229 108.800 0.368 0.000 2.424 319 G HA2 -0.142 3.818 3.960 0.001 0.000 0.214 319 G HA3 -0.142 3.818 3.960 0.001 0.000 0.214 319 G C 1.973 177.017 174.900 0.241 0.000 1.202 319 G CA 0.878 46.161 45.100 0.306 0.000 0.793 319 G HN 0.218 nan 8.290 nan 0.000 0.534 320 V N 0.890 120.940 119.914 0.227 0.000 2.233 320 V HA -0.250 3.870 4.120 0.001 0.000 0.247 320 V C 3.113 179.310 176.094 0.171 0.000 1.050 320 V CA 2.036 64.464 62.300 0.212 0.000 1.010 320 V CB -0.862 31.113 31.823 0.253 0.000 0.637 320 V HN 0.516 nan 8.190 nan 0.000 0.444 321 C N 0.777 120.161 119.300 0.140 0.000 2.422 321 C HA -0.031 4.429 4.460 0.001 0.000 0.279 321 C C 2.869 177.917 174.990 0.097 0.000 1.305 321 C CA 0.443 59.513 59.018 0.088 0.000 1.757 321 C CB -1.854 25.895 27.740 0.015 0.000 1.962 321 C HN 0.723 nan 8.230 nan 0.000 0.499 322 G N 0.953 109.837 108.800 0.141 0.000 2.446 322 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 322 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 322 G C 1.458 176.482 174.900 0.208 0.000 1.168 322 G CA 0.881 46.113 45.100 0.220 0.000 0.771 322 G HN 0.537 nan 8.290 nan 0.000 0.551 323 I N 0.259 120.940 120.570 0.186 0.000 2.179 323 I HA -0.150 4.020 4.170 0.001 0.000 0.242 323 I C 2.803 179.004 176.117 0.141 0.000 1.088 323 I CA 0.485 61.880 61.300 0.159 0.000 1.357 323 I CB -0.348 37.740 38.000 0.147 0.000 1.051 323 I HN 0.024 nan 8.210 nan 0.000 0.409 324 V N 1.201 121.194 119.914 0.132 0.000 2.287 324 V HA -0.249 3.872 4.120 0.001 0.000 0.248 324 V C 2.620 178.796 176.094 0.137 0.000 1.053 324 V CA 2.292 64.661 62.300 0.116 0.000 1.027 324 V CB -1.454 30.427 31.823 0.097 0.000 0.646 324 V HN 0.589 nan 8.190 nan 0.000 0.447 325 G N -1.209 107.679 108.800 0.147 0.000 2.446 325 G HA2 -0.287 3.673 3.960 0.001 0.000 0.217 325 G HA3 -0.287 3.673 3.960 0.001 0.000 0.217 325 G C 1.734 176.759 174.900 0.207 0.000 1.168 325 G CA 1.400 46.605 45.100 0.176 0.000 0.771 325 G HN 0.546 nan 8.290 nan 0.000 0.551 326 C N 0.220 119.640 119.300 0.201 0.000 2.440 326 C HA 0.120 4.580 4.460 0.001 0.000 0.278 326 C C 2.826 177.912 174.990 0.160 0.000 1.295 326 C CA 0.253 59.386 59.018 0.192 0.000 1.738 326 C CB -0.925 26.919 27.740 0.172 0.000 1.987 326 C HN 0.460 nan 8.230 nan 0.000 0.492 327 I N 0.278 120.933 120.570 0.141 0.000 2.202 327 I HA -0.225 3.945 4.170 0.001 0.000 0.242 327 I C 2.519 178.725 176.117 0.147 0.000 1.091 327 I CA 1.658 63.028 61.300 0.117 0.000 1.368 327 I CB -0.335 37.721 38.000 0.094 0.000 1.058 327 I HN 0.323 nan 8.210 nan 0.000 0.410 328 M N -0.374 119.343 119.600 0.195 0.000 2.319 328 M HA -0.121 4.360 4.480 0.001 0.000 0.265 328 M C 2.224 178.735 176.300 0.351 0.000 1.068 328 M CA 1.324 56.800 55.300 0.292 0.000 1.118 328 M CB -0.393 32.407 32.600 0.333 0.000 1.395 328 M HN 0.201 nan 8.290 nan 0.000 0.435 329 T N 0.501 115.227 114.554 0.287 0.000 2.684 329 T HA -0.150 4.200 4.350 0.001 0.000 0.267 329 T C 1.759 176.617 174.700 0.264 0.000 1.036 329 T CA 1.790 64.065 62.100 0.292 0.000 1.148 329 T CB -0.793 68.245 68.868 0.283 0.000 0.863 329 T HN 0.646 nan 8.240 nan 0.000 0.436 330 G N 0.180 109.111 108.800 0.219 0.000 2.537 330 G HA2 -0.098 3.863 3.960 0.001 0.000 0.220 330 G HA3 -0.098 3.863 3.960 0.001 0.000 0.220 330 G C 1.306 176.372 174.900 0.277 0.000 1.111 330 G CA 0.544 45.776 45.100 0.219 0.000 0.748 330 G HN 0.506 nan 8.290 nan 0.000 0.564 331 I N -1.652 119.023 120.570 0.175 0.000 3.196 331 I HA 0.216 4.387 4.170 0.001 0.000 0.248 331 I C 1.602 177.621 176.117 -0.162 0.000 1.105 331 I CA 0.006 61.284 61.300 -0.035 0.000 1.482 331 I CB 0.038 37.835 38.000 -0.339 0.000 1.400 331 I HN -0.001 nan 8.210 nan 0.000 0.464 332 F N 1.410 121.423 119.950 0.105 0.000 2.802 332 F HA 0.098 4.625 4.527 0.001 0.000 0.300 332 F C 2.354 178.134 175.800 -0.033 0.000 1.168 332 F CA 0.608 58.630 58.000 0.038 0.000 1.433 332 F CB -0.653 38.378 39.000 0.052 0.000 1.115 332 F HN -0.000 nan 8.300 nan 0.000 0.582 333 A N 0.552 123.381 122.820 0.015 0.000 2.015 333 A HA 0.179 4.499 4.320 0.001 0.000 0.219 333 A C 1.724 178.957 177.584 -0.586 0.000 1.163 333 A CA 0.673 52.586 52.037 -0.207 0.000 0.646 333 A CB -1.010 17.851 19.000 -0.232 0.000 0.806 333 A HN 0.182 nan 8.150 nan 0.000 0.448 334 A N -0.038 122.334 122.820 -0.747 0.000 2.567 334 A HA 0.318 4.638 4.320 0.001 0.000 0.240 334 A C 1.458 178.884 177.584 -0.263 0.000 1.053 334 A CA 0.542 52.197 52.037 -0.637 0.000 0.755 334 A CB -0.021 18.860 19.000 -0.199 0.000 0.978 334 A HN 0.383 nan 8.150 nan 0.000 0.507 335 S N 1.927 117.507 115.700 -0.201 0.000 2.387 335 S HA -0.178 4.292 4.470 0.001 0.000 0.230 335 S C 2.314 176.894 174.600 -0.033 0.000 1.035 335 S CA 1.833 59.986 58.200 -0.078 0.000 1.014 335 S CB -0.305 62.868 63.200 -0.044 0.000 0.836 335 S HN 0.917 nan 8.310 nan 0.000 0.466 336 S N 1.967 117.651 115.700 -0.026 0.000 2.380 336 S HA -0.119 4.351 4.470 0.001 0.000 0.229 336 S C 1.354 175.963 174.600 0.015 0.000 1.043 336 S CA 1.226 59.427 58.200 0.002 0.000 1.038 336 S CB -0.471 62.736 63.200 0.012 0.000 0.872 336 S HN 0.483 nan 8.310 nan 0.000 0.456 337 L N 0.771 122.002 121.223 0.015 0.000 2.791 337 L HA 0.468 4.808 4.340 0.001 0.000 0.239 337 L C 1.403 178.346 176.870 0.121 0.000 1.203 337 L CA 0.143 55.036 54.840 0.088 0.000 1.002 337 L CB -0.365 41.758 42.059 0.106 0.000 1.295 337 L HN 0.446 nan 8.230 nan 0.000 0.504 338 G N -0.242 108.593 108.800 0.058 0.000 2.141 338 G HA2 -0.217 3.743 3.960 0.001 0.000 0.242 338 G HA3 -0.217 3.743 3.960 0.001 0.000 0.242 338 G C 0.526 175.450 174.900 0.039 0.000 0.982 338 G CA -0.200 44.929 45.100 0.048 0.000 0.662 338 G HN 0.571 nan 8.290 nan 0.000 0.527 339 G N -0.961 107.850 108.800 0.019 0.000 2.580 339 G HA2 0.578 4.538 3.960 0.001 0.000 0.278 339 G HA3 0.578 4.538 3.960 0.001 0.000 0.278 339 G C 1.448 176.337 174.900 -0.017 0.000 1.212 339 G CA 0.641 45.742 45.100 0.002 0.000 0.939 339 G HN 1.337 nan 8.290 nan 0.000 0.513 340 V N -2.023 117.899 119.914 0.013 0.000 2.970 340 V HA 0.449 4.569 4.120 0.001 0.000 0.260 340 V C 1.186 177.274 176.094 -0.010 0.000 1.100 340 V CA 0.875 63.193 62.300 0.031 0.000 1.122 340 V CB -1.437 30.449 31.823 0.105 0.000 0.721 340 V HN 2.219 nan 8.190 nan 0.000 0.483 341 G N -0.676 108.054 108.800 -0.116 0.000 2.674 341 G HA2 -0.030 3.930 3.960 0.001 0.000 0.686 341 G HA3 -0.030 3.930 3.960 0.001 0.000 0.686 341 G C -0.828 173.957 174.900 -0.192 0.000 1.195 341 G CA -0.491 44.501 45.100 -0.181 0.000 0.776 341 G HN 0.379 nan 8.290 nan 0.000 0.654 342 F N 1.256 121.226 119.950 0.034 0.000 2.399 342 F HA 0.666 5.194 4.527 0.001 0.000 0.313 342 F C 1.466 177.279 175.800 0.021 0.000 1.202 342 F CA 0.400 58.410 58.000 0.016 0.000 1.192 342 F CB 0.420 39.427 39.000 0.011 0.000 1.256 342 F HN 0.957 nan 8.300 nan 0.000 0.558 343 A N 0.311 123.272 122.820 0.235 0.000 2.475 343 A HA 0.066 4.386 4.320 0.001 0.000 0.239 343 A C 0.231 177.873 177.584 0.097 0.000 1.087 343 A CA -0.471 51.643 52.037 0.127 0.000 0.779 343 A CB -0.270 18.783 19.000 0.090 0.000 1.036 343 A HN 0.753 nan 8.150 nan 0.000 0.506 344 E N -0.316 119.917 120.200 0.056 0.000 2.465 344 E HA 0.300 4.651 4.350 0.001 0.000 0.260 344 E C 1.155 177.755 176.600 -0.000 0.000 0.980 344 E CA 1.089 57.507 56.400 0.031 0.000 0.927 344 E CB 0.187 29.898 29.700 0.018 0.000 0.934 344 E HN 1.303 nan 8.360 nan 0.000 0.459 345 G N 2.139 110.934 108.800 -0.008 0.000 2.155 345 G HA2 -0.278 3.682 3.960 0.001 0.000 0.257 345 G HA3 -0.278 3.682 3.960 0.001 0.000 0.257 345 G C 0.109 174.945 174.900 -0.108 0.000 0.983 345 G CA 0.202 45.272 45.100 -0.050 0.000 0.676 345 G HN 0.390 nan 8.290 nan 0.000 0.528 346 V N 2.281 122.149 119.914 -0.077 0.000 2.328 346 V HA 0.562 4.683 4.120 0.001 0.000 0.278 346 V C 1.097 177.119 176.094 -0.120 0.000 1.021 346 V CA -0.105 62.105 62.300 -0.148 0.000 0.838 346 V CB 1.062 32.840 31.823 -0.075 0.000 0.999 346 V HN 0.634 nan 8.190 nan 0.000 0.447 347 T N 2.022 116.488 114.554 -0.147 0.000 2.766 347 T HA 0.163 4.514 4.350 0.001 0.000 0.295 347 T C 1.218 175.671 174.700 -0.411 0.000 1.024 347 T CA -0.238 61.774 62.100 -0.147 0.000 1.018 347 T CB 0.827 69.648 68.868 -0.078 0.000 1.002 347 T HN 0.573 nan 8.240 nan 0.000 0.532 348 M N 0.747 120.128 119.600 -0.366 0.000 2.288 348 M HA 0.084 4.564 4.480 0.001 0.000 0.266 348 M C 2.176 178.286 176.300 -0.317 0.000 1.072 348 M CA 1.790 56.754 55.300 -0.561 0.000 1.132 348 M CB -1.067 31.512 32.600 -0.034 0.000 1.386 348 M HN 0.927 nan 8.290 nan 0.000 0.432 349 G N -0.436 108.267 108.800 -0.162 0.000 2.480 349 G HA2 -0.342 3.619 3.960 0.001 0.000 0.216 349 G HA3 -0.342 3.619 3.960 0.001 0.000 0.216 349 G C 1.185 176.026 174.900 -0.098 0.000 1.200 349 G CA 1.600 46.642 45.100 -0.096 0.000 0.782 349 G HN 0.666 nan 8.290 nan 0.000 0.554 350 H N -0.122 118.842 119.070 -0.177 0.000 2.319 350 H HA -0.137 4.419 4.556 0.001 0.000 0.297 350 H C 2.605 177.823 175.328 -0.184 0.000 1.097 350 H CA 2.242 58.199 56.048 -0.153 0.000 1.285 350 H CB -0.061 29.620 29.762 -0.134 0.000 1.368 350 H HN 0.355 nan 8.280 nan 0.000 0.495 351 Q N 0.367 120.048 119.800 -0.199 0.000 2.170 351 Q HA -0.089 4.252 4.340 0.001 0.000 0.203 351 Q C 2.309 178.203 176.000 -0.178 0.000 0.976 351 Q CA 1.523 57.182 55.803 -0.240 0.000 0.858 351 Q CB -0.336 28.095 28.738 -0.512 0.000 0.907 351 Q HN 0.632 nan 8.270 nan 0.000 0.433 352 L N -0.404 120.716 121.223 -0.173 0.000 2.109 352 L HA -0.126 4.215 4.340 0.001 0.000 0.207 352 L C 2.306 179.115 176.870 -0.101 0.000 1.086 352 L CA 0.958 55.740 54.840 -0.097 0.000 0.760 352 L CB -0.489 41.525 42.059 -0.074 0.000 0.910 352 L HN 0.363 nan 8.230 nan 0.000 0.437 353 L N -0.704 120.428 121.223 -0.152 0.000 2.012 353 L HA -0.189 4.151 4.340 0.001 0.000 0.210 353 L C 2.428 179.197 176.870 -0.169 0.000 1.073 353 L CA 1.445 56.190 54.840 -0.159 0.000 0.748 353 L CB -0.249 41.688 42.059 -0.202 0.000 0.891 353 L HN -0.085 nan 8.230 nan 0.000 0.431 354 V N 0.327 120.101 119.914 -0.233 0.000 2.287 354 V HA -0.275 3.845 4.120 0.001 0.000 0.248 354 V C 2.774 178.820 176.094 -0.080 0.000 1.053 354 V CA 2.001 64.198 62.300 -0.171 0.000 1.027 354 V CB -0.823 30.906 31.823 -0.157 0.000 0.646 354 V HN 0.573 nan 8.190 nan 0.000 0.447 355 Q N -0.300 119.471 119.800 -0.048 0.000 2.061 355 Q HA -0.157 4.183 4.340 0.001 0.000 0.204 355 Q C 2.333 178.336 176.000 0.005 0.000 0.984 355 Q CA 1.600 57.406 55.803 0.004 0.000 0.846 355 Q CB -0.590 28.172 28.738 0.040 0.000 0.902 355 Q HN 0.549 nan 8.270 nan 0.000 0.421 356 L N 0.760 121.976 121.223 -0.011 0.000 2.042 356 L HA -0.224 4.117 4.340 0.001 0.000 0.210 356 L C 2.313 179.178 176.870 -0.007 0.000 1.076 356 L CA 1.374 56.213 54.840 -0.002 0.000 0.749 356 L CB -0.409 41.642 42.059 -0.015 0.000 0.893 356 L HN 0.288 nan 8.230 nan 0.000 0.432 357 E N -0.597 119.581 120.200 -0.036 0.000 2.106 357 E HA -0.144 4.207 4.350 0.001 0.000 0.192 357 E C 2.299 178.885 176.600 -0.025 0.000 0.984 357 E CA 1.263 57.638 56.400 -0.041 0.000 0.806 357 E CB 0.015 29.663 29.700 -0.086 0.000 0.750 357 E HN 0.387 nan 8.360 nan 0.000 0.458 358 S N 0.958 116.643 115.700 -0.025 0.000 2.368 358 S HA -0.121 4.349 4.470 0.001 0.000 0.224 358 S C 2.060 176.668 174.600 0.014 0.000 1.029 358 S CA 0.756 58.944 58.200 -0.019 0.000 0.988 358 S CB -0.173 63.015 63.200 -0.020 0.000 0.838 358 S HN 0.186 nan 8.310 nan 0.000 0.462 359 I N 2.014 122.607 120.570 0.038 0.000 2.127 359 I HA -0.271 3.900 4.170 0.001 0.000 0.241 359 I C 2.786 178.947 176.117 0.073 0.000 1.075 359 I CA 1.314 62.656 61.300 0.069 0.000 1.334 359 I CB -0.607 37.440 38.000 0.078 0.000 1.040 359 I HN 0.278 nan 8.210 nan 0.000 0.405 360 A N 0.746 123.600 122.820 0.056 0.000 1.940 360 A HA -0.195 4.126 4.320 0.001 0.000 0.219 360 A C 2.304 179.938 177.584 0.083 0.000 1.176 360 A CA 1.663 53.737 52.037 0.061 0.000 0.631 360 A CB -0.842 18.180 19.000 0.038 0.000 0.814 360 A HN 0.420 nan 8.150 nan 0.000 0.446 361 I N -0.746 119.872 120.570 0.081 0.000 2.163 361 I HA -0.207 3.964 4.170 0.001 0.000 0.240 361 I C 2.673 178.893 176.117 0.173 0.000 1.081 361 I CA 1.728 63.107 61.300 0.131 0.000 1.353 361 I CB -0.750 37.308 38.000 0.097 0.000 1.054 361 I HN 0.279 nan 8.210 nan 0.000 0.407 362 T N 1.437 116.053 114.554 0.104 0.000 2.607 362 T HA -0.238 4.112 4.350 0.001 0.000 0.267 362 T C 1.925 176.741 174.700 0.192 0.000 1.049 362 T CA 1.764 63.931 62.100 0.111 0.000 1.162 362 T CB -0.515 68.399 68.868 0.076 0.000 0.863 362 T HN 0.203 nan 8.240 nan 0.000 0.424 363 I N 0.583 121.253 120.570 0.167 0.000 2.113 363 I HA -0.221 3.949 4.170 0.001 0.000 0.242 363 I C 2.522 178.745 176.117 0.175 0.000 1.064 363 I CA 1.314 62.715 61.300 0.168 0.000 1.320 363 I CB -0.419 37.658 38.000 0.129 0.000 1.028 363 I HN 0.110 nan 8.210 nan 0.000 0.406 364 V N -0.263 119.749 119.914 0.163 0.000 2.379 364 V HA -0.264 3.856 4.120 0.001 0.000 0.245 364 V C 2.016 178.219 176.094 0.181 0.000 1.044 364 V CA 1.593 63.974 62.300 0.135 0.000 1.036 364 V CB -0.678 31.203 31.823 0.095 0.000 0.664 364 V HN 0.606 nan 8.190 nan 0.000 0.453 365 W N 0.781 122.110 121.300 0.048 0.000 2.354 365 W HA -0.218 4.444 4.660 0.004 0.000 0.315 365 W C 2.898 179.462 176.519 0.075 0.000 1.206 365 W CA 2.332 59.700 57.345 0.037 0.000 1.290 365 W CB -0.688 28.781 29.460 0.015 0.000 1.152 365 W HN 0.361 nan 8.180 nan 0.000 0.489 366 S N 0.381 116.372 115.700 0.485 0.000 2.383 366 S HA -0.116 4.354 4.470 0.001 0.000 0.229 366 S C 2.048 176.912 174.600 0.440 0.000 1.030 366 S CA 2.132 60.636 58.200 0.506 0.000 1.002 366 S CB -0.944 62.579 63.200 0.538 0.000 0.829 366 S HN 0.311 nan 8.310 nan 0.000 0.467 367 G N 1.273 110.250 108.800 0.296 0.000 2.587 367 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 367 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 367 G C 1.497 176.532 174.900 0.226 0.000 1.240 367 G CA 1.497 46.728 45.100 0.219 0.000 0.794 367 G HN 0.483 nan 8.290 nan 0.000 0.580 368 V N 0.454 120.440 119.914 0.120 0.000 2.324 368 V HA -0.216 3.905 4.120 0.001 0.000 0.250 368 V C 3.024 179.220 176.094 0.170 0.000 1.060 368 V CA 1.756 64.109 62.300 0.087 0.000 1.042 368 V CB -0.805 30.973 31.823 -0.075 0.000 0.650 368 V HN 0.242 nan 8.190 nan 0.000 0.450 369 V N 0.153 120.154 119.914 0.144 0.000 2.270 369 V HA -0.210 3.910 4.120 0.001 0.000 0.245 369 V C 2.753 179.028 176.094 0.301 0.000 1.043 369 V CA 1.982 64.376 62.300 0.157 0.000 1.014 369 V CB -1.147 30.738 31.823 0.103 0.000 0.645 369 V HN 0.553 nan 8.190 nan 0.000 0.447 370 A N -0.341 122.781 122.820 0.503 0.000 1.883 370 A HA -0.280 4.040 4.320 0.001 0.000 0.217 370 A C 2.132 179.973 177.584 0.430 0.000 1.186 370 A CA 2.219 54.564 52.037 0.513 0.000 0.624 370 A CB -0.827 18.502 19.000 0.549 0.000 0.822 370 A HN 0.528 nan 8.150 nan 0.000 0.444 371 F N 0.667 120.806 119.950 0.315 0.000 2.091 371 F HA -0.224 4.303 4.527 -0.002 0.000 0.299 371 F C 1.981 177.913 175.800 0.221 0.000 1.103 371 F CA 1.948 60.119 58.000 0.285 0.000 1.228 371 F CB -0.293 38.804 39.000 0.162 0.000 0.984 371 F HN 0.205 nan 8.300 nan 0.000 0.477 372 I N 0.108 120.798 120.570 0.201 0.000 2.163 372 I HA -0.269 3.901 4.170 0.001 0.000 0.243 372 I C 2.804 178.918 176.117 -0.006 0.000 1.085 372 I CA 1.441 62.771 61.300 0.052 0.000 1.347 372 I CB -1.394 36.656 38.000 0.083 0.000 1.044 372 I HN 0.321 nan 8.210 nan 0.000 0.408 373 G N 0.340 109.158 108.800 0.028 0.000 2.491 373 G HA2 -0.296 3.664 3.960 0.001 0.000 0.218 373 G HA3 -0.296 3.664 3.960 0.001 0.000 0.218 373 G C 1.436 176.391 174.900 0.091 0.000 1.180 373 G CA 1.030 46.132 45.100 0.003 0.000 0.774 373 G HN 0.299 nan 8.290 nan 0.000 0.562 374 Y N 1.016 121.452 120.300 0.228 0.000 2.242 374 Y HA 0.039 4.588 4.550 -0.000 0.000 0.291 374 Y C 2.826 178.672 175.900 -0.090 0.000 1.137 374 Y CA 1.112 59.231 58.100 0.031 0.000 1.181 374 Y CB -0.056 38.357 38.460 -0.080 0.000 0.989 374 Y HN 0.012 nan 8.280 nan 0.000 0.527 375 K N -0.025 120.323 120.400 -0.086 0.000 2.025 375 K HA -0.124 4.197 4.320 0.001 0.000 0.207 375 K C 2.145 178.712 176.600 -0.054 0.000 1.049 375 K CA 0.780 56.968 56.287 -0.166 0.000 0.933 375 K CB -1.002 31.278 32.500 -0.367 0.000 0.714 375 K HN 0.272 nan 8.250 nan 0.000 0.438 376 L N 1.386 122.591 121.223 -0.029 0.000 1.970 376 L HA -0.174 4.166 4.340 0.001 0.000 0.212 376 L C 2.239 179.123 176.870 0.023 0.000 1.071 376 L CA 2.268 57.107 54.840 -0.002 0.000 0.751 376 L CB -1.052 41.007 42.059 -0.000 0.000 0.889 376 L HN 0.186 nan 8.230 nan 0.000 0.432 377 A N -0.798 122.056 122.820 0.056 0.000 1.873 377 A HA -0.335 3.986 4.320 0.001 0.000 0.218 377 A C 2.172 179.790 177.584 0.057 0.000 1.193 377 A CA 2.192 54.276 52.037 0.079 0.000 0.629 377 A CB -1.247 17.836 19.000 0.138 0.000 0.826 377 A HN 0.605 nan 8.150 nan 0.000 0.447 378 D N -0.141 120.289 120.400 0.049 0.000 2.133 378 D HA -0.124 4.516 4.640 0.001 0.000 0.195 378 D C 1.688 177.997 176.300 0.015 0.000 0.997 378 D CA 1.345 55.361 54.000 0.026 0.000 0.840 378 D CB -0.249 40.555 40.800 0.006 0.000 0.947 378 D HN 0.449 nan 8.370 nan 0.000 0.452 379 L N -0.647 120.581 121.223 0.008 0.000 2.554 379 L HA 0.047 4.387 4.340 0.001 0.000 0.226 379 L C 1.987 178.863 176.870 0.010 0.000 1.137 379 L CA 0.591 55.435 54.840 0.006 0.000 0.863 379 L CB 0.022 42.081 42.059 0.000 0.000 0.985 379 L HN -0.009 nan 8.230 nan 0.000 0.451 380 T N -1.261 113.303 114.554 0.016 0.000 3.044 380 T HA 0.009 4.359 4.350 0.001 0.000 0.237 380 T C 1.515 176.227 174.700 0.020 0.000 1.001 380 T CA 1.193 63.303 62.100 0.017 0.000 1.160 380 T CB 0.308 69.188 68.868 0.020 0.000 0.889 380 T HN 0.212 nan 8.240 nan 0.000 0.442 381 V N -1.879 118.053 119.914 0.029 0.000 3.562 381 V HA 0.693 4.814 4.120 0.001 0.000 0.270 381 V C 0.818 176.931 176.094 0.031 0.000 1.418 381 V CA 0.165 62.484 62.300 0.031 0.000 1.033 381 V CB -0.403 31.445 31.823 0.042 0.000 0.820 381 V HN 0.663 nan 8.190 nan 0.000 0.441 382 G N 0.344 109.162 108.800 0.031 0.000 2.721 382 G HA2 -0.132 3.828 3.960 0.001 0.000 0.686 382 G HA3 -0.132 3.828 3.960 0.001 0.000 0.686 382 G C -0.284 174.636 174.900 0.033 0.000 1.236 382 G CA -0.035 45.080 45.100 0.025 0.000 0.786 382 G HN 0.307 nan 8.290 nan 0.000 0.616 383 L N 0.860 122.096 121.223 0.022 0.000 2.130 383 L HA 0.191 4.531 4.340 0.001 0.000 0.200 383 L C 2.168 179.041 176.870 0.005 0.000 1.075 383 L CA 1.058 55.910 54.840 0.021 0.000 0.768 383 L CB -0.267 41.792 42.059 0.000 0.000 0.933 383 L HN 0.786 nan 8.230 nan 0.000 0.451 384 R N 0.486 120.980 120.500 -0.010 0.000 2.490 384 R HA 0.278 4.619 4.340 0.001 0.000 0.280 384 R C -0.393 175.905 176.300 -0.004 0.000 1.077 384 R CA -0.716 55.373 56.100 -0.018 0.000 1.065 384 R CB 0.511 30.794 30.300 -0.027 0.000 1.003 384 R HN -0.213 nan 8.270 nan 0.000 0.470 385 V N 4.703 124.613 119.914 -0.007 0.000 2.720 385 V HA 0.002 4.122 4.120 0.001 0.000 0.307 385 V C -0.910 175.186 176.094 0.004 0.000 1.071 385 V CA -0.618 61.684 62.300 0.003 0.000 1.199 385 V CB -0.054 31.764 31.823 -0.008 0.000 0.900 385 V HN 0.896 nan 8.190 nan 0.000 0.494 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.106 63.100 0.011 0.000 0.800 386 P CB 0.000 31.711 31.700 0.018 0.000 0.726