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 2npc_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 AGGTVVAINA AIAGLVGAYL XXXXXXXXXX XXXPHNLPMV 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 0.000 177.295 177.300 -0.008 0.000 1.155 2 P CA 0.000 63.101 63.100 0.002 0.000 0.800 2 P CB 0.000 31.706 31.700 0.009 0.000 0.726 3 A N 0.297 123.108 122.820 -0.014 0.000 2.567 3 A HA 0.442 4.762 4.320 0.001 0.000 0.240 3 A C 0.251 177.804 177.584 -0.051 0.000 1.053 3 A CA 0.153 52.170 52.037 -0.033 0.000 0.755 3 A CB 0.049 19.027 19.000 -0.037 0.000 0.978 3 A HN 0.519 nan 8.150 nan 0.000 0.507 4 V N 2.480 122.353 119.914 -0.069 0.000 2.667 4 V HA 0.676 4.797 4.120 0.001 0.000 0.308 4 V C 0.656 176.648 176.094 -0.170 0.000 1.048 4 V CA -0.107 62.136 62.300 -0.095 0.000 0.928 4 V CB 1.687 33.475 31.823 -0.058 0.000 1.004 4 V HN 1.409 nan 8.190 nan 0.000 0.444 5 A N 4.063 126.702 122.820 -0.301 0.000 2.440 5 A HA 0.355 4.676 4.320 0.001 0.000 0.251 5 A C -0.017 177.420 177.584 -0.244 0.000 1.089 5 A CA -0.170 51.604 52.037 -0.439 0.000 0.779 5 A CB 0.164 18.501 19.000 -1.104 0.000 1.022 5 A HN 0.863 nan 8.150 nan 0.000 0.492 6 D N 1.982 122.272 120.400 -0.184 0.000 2.317 6 D HA 0.190 4.831 4.640 0.001 0.000 0.234 6 D C 0.728 176.983 176.300 -0.075 0.000 1.112 6 D CA -0.211 53.727 54.000 -0.103 0.000 0.840 6 D CB 0.944 41.696 40.800 -0.080 0.000 1.078 6 D HN 0.536 nan 8.370 nan 0.000 0.486 7 K N 2.291 122.669 120.400 -0.036 0.000 2.147 7 K HA -0.126 4.194 4.320 0.001 0.000 0.205 7 K C 1.862 178.472 176.600 0.017 0.000 1.049 7 K CA 1.200 57.492 56.287 0.008 0.000 0.936 7 K CB 0.129 32.643 32.500 0.024 0.000 0.722 7 K HN 0.457 nan 8.250 nan 0.000 0.446 8 A N 1.709 124.528 122.820 -0.001 0.000 1.902 8 A HA -0.214 4.107 4.320 0.001 0.000 0.217 8 A C 1.532 179.137 177.584 0.036 0.000 1.181 8 A CA 1.959 53.998 52.037 0.005 0.000 0.623 8 A CB -0.366 18.614 19.000 -0.032 0.000 0.818 8 A HN 0.174 nan 8.150 nan 0.000 0.443 9 D N -0.080 120.329 120.400 0.014 0.000 2.149 9 D HA -0.095 4.546 4.640 0.001 0.000 0.201 9 D C 1.655 177.997 176.300 0.071 0.000 0.972 9 D CA 0.909 54.940 54.000 0.052 0.000 0.835 9 D CB -0.370 40.423 40.800 -0.011 0.000 0.966 9 D HN 0.339 nan 8.370 nan 0.000 0.476 10 N N 1.057 119.777 118.700 0.033 0.000 2.058 10 N HA -0.119 4.622 4.740 0.001 0.000 0.191 10 N C 1.806 177.362 175.510 0.075 0.000 1.037 10 N CA 1.412 54.495 53.050 0.055 0.000 0.848 10 N CB -0.498 38.043 38.487 0.090 0.000 1.021 10 N HN 0.113 nan 8.380 nan 0.000 0.422 11 A N 0.824 123.696 122.820 0.087 0.000 1.892 11 A HA -0.180 4.140 4.320 0.001 0.000 0.218 11 A C 2.162 179.824 177.584 0.129 0.000 1.188 11 A CA 1.315 53.408 52.037 0.093 0.000 0.631 11 A CB -1.096 17.956 19.000 0.087 0.000 0.822 11 A HN 0.302 nan 8.150 nan 0.000 0.447 12 F N -0.035 119.909 119.950 -0.010 0.000 2.134 12 F HA -0.163 4.365 4.527 0.001 0.000 0.299 12 F C 2.175 177.969 175.800 -0.010 0.000 1.097 12 F CA 1.890 59.887 58.000 -0.005 0.000 1.264 12 F CB -0.176 38.812 39.000 -0.020 0.000 1.001 12 F HN 0.107 nan 8.300 nan 0.000 0.479 13 M N -0.861 118.671 119.600 -0.113 0.000 2.388 13 M HA -0.068 4.413 4.480 0.001 0.000 0.265 13 M C 2.191 178.413 176.300 -0.129 0.000 1.088 13 M CA 1.048 56.178 55.300 -0.283 0.000 1.134 13 M CB -1.008 31.442 32.600 -0.249 0.000 1.384 13 M HN 0.265 nan 8.290 nan 0.000 0.447 14 M N -0.067 119.511 119.600 -0.036 0.000 2.099 14 M HA -0.171 4.310 4.480 0.001 0.000 0.262 14 M C 1.959 178.259 176.300 0.001 0.000 1.067 14 M CA 1.183 56.490 55.300 0.011 0.000 1.124 14 M CB -0.282 32.338 32.600 0.033 0.000 1.353 14 M HN 0.100 nan 8.290 nan 0.000 0.410 15 I N 0.132 120.688 120.570 -0.023 0.000 2.163 15 I HA -0.307 3.864 4.170 0.001 0.000 0.243 15 I C 2.583 178.675 176.117 -0.042 0.000 1.085 15 I CA 1.378 62.662 61.300 -0.026 0.000 1.347 15 I CB -1.731 36.266 38.000 -0.005 0.000 1.044 15 I HN 0.409 nan 8.210 nan 0.000 0.408 16 C N 0.665 119.879 119.300 -0.143 0.000 2.413 16 C HA -0.191 4.270 4.460 0.001 0.000 0.276 16 C C 3.010 178.088 174.990 0.146 0.000 1.248 16 C CA 1.625 60.609 59.018 -0.057 0.000 1.742 16 C CB -1.276 26.322 27.740 -0.237 0.000 2.017 16 C HN 0.553 nan 8.230 nan 0.000 0.481 17 T N 1.226 115.898 114.554 0.197 0.000 2.684 17 T HA -0.182 4.169 4.350 0.001 0.000 0.267 17 T C 2.101 176.855 174.700 0.090 0.000 1.036 17 T CA 1.795 64.015 62.100 0.199 0.000 1.148 17 T CB -0.502 68.479 68.868 0.188 0.000 0.863 17 T HN 0.668 nan 8.240 nan 0.000 0.436 18 A N 1.085 123.941 122.820 0.059 0.000 1.940 18 A HA -0.012 4.309 4.320 0.001 0.000 0.219 18 A C 2.322 179.936 177.584 0.050 0.000 1.176 18 A CA 1.254 53.310 52.037 0.032 0.000 0.631 18 A CB -0.855 18.138 19.000 -0.011 0.000 0.814 18 A HN 0.488 nan 8.150 nan 0.000 0.446 19 L N -0.673 120.591 121.223 0.069 0.000 2.093 19 L HA -0.129 4.211 4.340 0.001 0.000 0.208 19 L C 2.441 179.392 176.870 0.134 0.000 1.085 19 L CA 0.866 55.789 54.840 0.139 0.000 0.755 19 L CB -0.326 41.817 42.059 0.139 0.000 0.904 19 L HN 0.263 nan 8.230 nan 0.000 0.435 20 V N -0.219 119.725 119.914 0.049 0.000 2.453 20 V HA -0.227 3.894 4.120 0.001 0.000 0.247 20 V C 2.320 178.386 176.094 -0.048 0.000 1.048 20 V CA 1.196 63.451 62.300 -0.075 0.000 1.049 20 V CB -0.271 31.422 31.823 -0.217 0.000 0.672 20 V HN 0.338 nan 8.190 nan 0.000 0.457 21 L N -1.083 120.160 121.223 0.034 0.000 2.083 21 L HA -0.184 4.156 4.340 0.001 0.000 0.209 21 L C 2.406 179.318 176.870 0.069 0.000 1.083 21 L CA 1.567 56.460 54.840 0.089 0.000 0.752 21 L CB -0.615 41.529 42.059 0.143 0.000 0.899 21 L HN 0.335 nan 8.230 nan 0.000 0.433 22 F N 0.775 120.676 119.950 -0.083 0.000 2.216 22 F HA -0.224 4.304 4.527 0.001 0.000 0.300 22 F C 2.390 178.115 175.800 -0.124 0.000 1.085 22 F CA 1.331 59.274 58.000 -0.094 0.000 1.326 22 F CB -0.334 38.633 39.000 -0.055 0.000 1.027 22 F HN 0.002 nan 8.300 nan 0.000 0.497 23 M N -0.966 118.553 119.600 -0.135 0.000 2.202 23 M HA -0.211 4.269 4.480 0.001 0.000 0.262 23 M C 1.796 177.942 176.300 -0.258 0.000 1.063 23 M CA 2.116 57.244 55.300 -0.288 0.000 1.097 23 M CB -0.695 31.694 32.600 -0.351 0.000 1.382 23 M HN 0.048 nan 8.290 nan 0.000 0.413 24 T N 0.009 114.448 114.554 -0.192 0.000 2.925 24 T HA 0.177 4.528 4.350 0.001 0.000 0.245 24 T C 0.845 175.400 174.700 -0.241 0.000 1.025 24 T CA 0.544 62.537 62.100 -0.178 0.000 1.149 24 T CB 0.381 69.188 68.868 -0.102 0.000 0.866 24 T HN 0.042 nan 8.240 nan 0.000 0.437 25 I N 3.497 123.883 120.570 -0.306 0.000 2.388 25 I HA 0.279 4.450 4.170 0.001 0.000 0.281 25 I C -2.118 173.942 176.117 -0.094 0.000 1.046 25 I CA -2.504 58.619 61.300 -0.294 0.000 1.187 25 I CB 1.149 38.817 38.000 -0.553 0.000 1.351 25 I HN 0.086 nan 8.210 nan 0.000 0.472 26 P HA 0.182 nan 4.420 nan 0.000 0.282 26 P C 1.273 178.470 177.300 -0.172 0.000 1.373 26 P CA 0.136 63.158 63.100 -0.131 0.000 1.001 26 P CB 0.984 32.644 31.700 -0.068 0.000 1.489 27 G N 1.879 110.511 108.800 -0.280 0.000 2.628 27 G HA2 -0.299 3.662 3.960 0.001 0.000 0.217 27 G HA3 -0.299 3.662 3.960 0.001 0.000 0.217 27 G C 1.300 176.105 174.900 -0.159 0.000 1.240 27 G CA 0.968 45.893 45.100 -0.292 0.000 0.792 27 G HN 0.280 nan 8.290 nan 0.000 0.593 28 I N 1.583 122.066 120.570 -0.144 0.000 2.546 28 I HA 0.110 4.281 4.170 0.001 0.000 0.255 28 I C 2.926 179.101 176.117 0.096 0.000 1.163 28 I CA 1.179 62.437 61.300 -0.069 0.000 1.457 28 I CB -0.210 37.752 38.000 -0.062 0.000 1.092 28 I HN 0.208 nan 8.210 nan 0.000 0.434 29 A N 0.048 122.898 122.820 0.049 0.000 1.930 29 A HA -0.119 4.202 4.320 0.001 0.000 0.217 29 A C 2.260 179.890 177.584 0.076 0.000 1.175 29 A CA 1.532 53.618 52.037 0.081 0.000 0.627 29 A CB -0.808 18.195 19.000 0.005 0.000 0.815 29 A HN 0.457 nan 8.150 nan 0.000 0.443 30 L N -2.240 118.998 121.223 0.025 0.000 2.156 30 L HA -0.070 4.271 4.340 0.001 0.000 0.208 30 L C 2.420 179.300 176.870 0.017 0.000 1.095 30 L CA 1.015 55.859 54.840 0.007 0.000 0.770 30 L CB -0.446 41.594 42.059 -0.033 0.000 0.914 30 L HN 0.501 nan 8.230 nan 0.000 0.439 31 F N 0.156 120.023 119.950 -0.139 0.000 2.075 31 F HA -0.287 4.240 4.527 0.001 0.000 0.297 31 F C 2.373 178.069 175.800 -0.174 0.000 1.113 31 F CA 1.715 59.589 58.000 -0.210 0.000 1.218 31 F CB -0.402 38.395 39.000 -0.339 0.000 0.984 31 F HN -0.070 nan 8.300 nan 0.000 0.472 32 Y N 0.496 120.809 120.300 0.023 0.000 2.242 32 Y HA -0.001 4.550 4.550 0.002 0.000 0.291 32 Y C 2.741 178.588 175.900 -0.089 0.000 1.137 32 Y CA 1.142 59.196 58.100 -0.076 0.000 1.181 32 Y CB -1.363 37.102 38.460 0.008 0.000 0.989 32 Y HN 0.142 nan 8.280 nan 0.000 0.527 33 G N -0.712 108.158 108.800 0.118 0.000 2.462 33 G HA2 -0.230 3.731 3.960 0.001 0.000 0.220 33 G HA3 -0.230 3.731 3.960 0.001 0.000 0.220 33 G C 1.974 176.905 174.900 0.051 0.000 1.121 33 G CA 1.040 46.191 45.100 0.085 0.000 0.758 33 G HN 0.532 nan 8.290 nan 0.000 0.559 34 G N -0.036 108.701 108.800 -0.105 0.000 2.551 34 G HA2 0.140 4.100 3.960 0.001 0.000 0.216 34 G HA3 0.140 4.100 3.960 0.001 0.000 0.216 34 G C 1.661 176.404 174.900 -0.261 0.000 1.137 34 G CA 0.220 45.153 45.100 -0.278 0.000 0.798 34 G HN 0.422 nan 8.290 nan 0.000 0.536 35 L N 0.536 121.658 121.223 -0.168 0.000 2.145 35 L HA 0.314 4.655 4.340 0.001 0.000 0.201 35 L C 1.699 178.591 176.870 0.037 0.000 1.075 35 L CA -0.017 54.754 54.840 -0.116 0.000 0.773 35 L CB -0.360 41.578 42.059 -0.201 0.000 0.936 35 L HN 0.270 nan 8.230 nan 0.000 0.451 36 I N -1.119 119.499 120.570 0.080 0.000 3.138 36 I HA 0.139 4.310 4.170 0.001 0.000 0.288 36 I C 0.754 176.918 176.117 0.079 0.000 1.148 36 I CA -0.714 60.622 61.300 0.060 0.000 1.315 36 I CB 0.321 38.332 38.000 0.018 0.000 1.426 36 I HN 0.008 nan 8.210 nan 0.000 0.615 37 R N 2.669 123.157 120.500 -0.021 0.000 2.570 37 R HA 0.156 4.497 4.340 0.001 0.000 0.277 37 R C 1.197 177.335 176.300 -0.271 0.000 1.039 37 R CA 1.129 57.158 56.100 -0.117 0.000 1.065 37 R CB 0.716 30.962 30.300 -0.090 0.000 0.964 37 R HN 0.880 nan 8.270 nan 0.000 0.428 38 G N 4.454 112.910 108.800 -0.574 0.000 2.513 38 G HA2 -0.401 3.560 3.960 0.001 0.000 0.219 38 G HA3 -0.401 3.560 3.960 0.001 0.000 0.219 38 G C 0.911 175.654 174.900 -0.262 0.000 1.160 38 G CA 1.298 46.011 45.100 -0.644 0.000 0.767 38 G HN 0.834 nan 8.290 nan 0.000 0.571 39 K N -0.061 120.230 120.400 -0.182 0.000 2.360 39 K HA -0.019 4.302 4.320 0.001 0.000 0.201 39 K C 1.418 177.967 176.600 -0.084 0.000 1.046 39 K CA 1.421 57.645 56.287 -0.106 0.000 0.940 39 K CB -0.092 32.358 32.500 -0.083 0.000 0.748 39 K HN 0.174 nan 8.250 nan 0.000 0.465 40 N N 0.481 119.125 118.700 -0.094 0.000 2.236 40 N HA 0.038 4.778 4.740 0.001 0.000 0.196 40 N C 1.320 176.794 175.510 -0.060 0.000 1.114 40 N CA 0.170 53.176 53.050 -0.073 0.000 0.859 40 N CB 0.613 39.056 38.487 -0.073 0.000 0.982 40 N HN 0.007 nan 8.380 nan 0.000 0.493 41 V N 1.320 121.202 119.914 -0.053 0.000 2.307 41 V HA -0.143 3.978 4.120 0.001 0.000 0.245 41 V C 2.341 178.427 176.094 -0.012 0.000 1.045 41 V CA 1.237 63.529 62.300 -0.013 0.000 1.024 41 V CB -0.439 31.397 31.823 0.022 0.000 0.651 41 V HN 0.232 nan 8.190 nan 0.000 0.449 42 L N -0.180 121.034 121.223 -0.014 0.000 2.042 42 L HA -0.192 4.149 4.340 0.001 0.000 0.210 42 L C 2.714 179.574 176.870 -0.016 0.000 1.076 42 L CA 1.948 56.785 54.840 -0.005 0.000 0.749 42 L CB -0.785 41.274 42.059 0.001 0.000 0.893 42 L HN 0.367 nan 8.230 nan 0.000 0.432 43 S N -0.360 115.320 115.700 -0.034 0.000 2.368 43 S HA -0.204 4.267 4.470 0.001 0.000 0.225 43 S C 2.023 176.551 174.600 -0.120 0.000 1.030 43 S CA 1.253 59.414 58.200 -0.065 0.000 0.999 43 S CB -0.160 63.002 63.200 -0.065 0.000 0.844 43 S HN 0.312 nan 8.310 nan 0.000 0.459 44 M N 1.019 120.559 119.600 -0.100 0.000 2.159 44 M HA -0.051 4.430 4.480 0.001 0.000 0.263 44 M C 1.800 178.051 176.300 -0.081 0.000 1.063 44 M CA 1.565 56.797 55.300 -0.113 0.000 1.110 44 M CB -0.950 31.598 32.600 -0.087 0.000 1.374 44 M HN 0.384 nan 8.290 nan 0.000 0.411 45 L N -0.577 120.623 121.223 -0.040 0.000 2.093 45 L HA -0.183 4.158 4.340 0.001 0.000 0.208 45 L C 2.300 179.163 176.870 -0.011 0.000 1.085 45 L CA 1.571 56.403 54.840 -0.014 0.000 0.755 45 L CB -1.199 40.861 42.059 0.003 0.000 0.904 45 L HN 0.276 nan 8.230 nan 0.000 0.435 46 T N -0.829 113.716 114.554 -0.015 0.000 2.708 46 T HA -0.234 4.116 4.350 0.001 0.000 0.266 46 T C 1.903 176.592 174.700 -0.018 0.000 1.037 46 T CA 1.348 63.465 62.100 0.028 0.000 1.146 46 T CB -0.219 68.693 68.868 0.074 0.000 0.865 46 T HN 0.380 nan 8.240 nan 0.000 0.435 47 Q N 0.183 119.843 119.800 -0.232 0.000 2.119 47 Q HA -0.048 4.293 4.340 0.001 0.000 0.201 47 Q C 2.604 178.556 176.000 -0.080 0.000 0.972 47 Q CA 1.021 56.610 55.803 -0.356 0.000 0.847 47 Q CB -0.362 28.057 28.738 -0.531 0.000 0.903 47 Q HN 0.351 nan 8.270 nan 0.000 0.433 48 V N 0.484 120.372 119.914 -0.043 0.000 2.358 48 V HA -0.228 3.893 4.120 0.001 0.000 0.246 48 V C 2.178 178.327 176.094 0.092 0.000 1.047 48 V CA 2.050 64.366 62.300 0.027 0.000 1.035 48 V CB -0.657 31.174 31.823 0.013 0.000 0.658 48 V HN 0.410 nan 8.190 nan 0.000 0.452 49 T N -0.021 114.578 114.554 0.076 0.000 2.674 49 T HA -0.164 4.187 4.350 0.001 0.000 0.265 49 T C 1.950 176.787 174.700 0.229 0.000 1.039 49 T CA 1.756 63.929 62.100 0.122 0.000 1.150 49 T CB -0.218 68.699 68.868 0.082 0.000 0.864 49 T HN 0.268 nan 8.240 nan 0.000 0.427 50 V N 2.169 122.216 119.914 0.222 0.000 2.343 50 V HA -0.176 3.944 4.120 0.001 0.000 0.247 50 V C 3.001 179.240 176.094 0.243 0.000 1.051 50 V CA 2.175 64.632 62.300 0.262 0.000 1.036 50 V CB -1.276 30.788 31.823 0.403 0.000 0.654 50 V HN 0.746 nan 8.190 nan 0.000 0.451 51 T N -2.020 112.673 114.554 0.232 0.000 2.904 51 T HA -0.182 4.169 4.350 0.001 0.000 0.267 51 T C 1.802 176.609 174.700 0.179 0.000 1.059 51 T CA 1.292 63.510 62.100 0.195 0.000 1.137 51 T CB -0.584 68.388 68.868 0.173 0.000 0.879 51 T HN 0.366 nan 8.240 nan 0.000 0.467 52 F N 3.044 123.027 119.950 0.056 0.000 2.091 52 F HA -0.010 4.518 4.527 0.001 0.000 0.299 52 F C 2.611 178.432 175.800 0.036 0.000 1.103 52 F CA 1.249 59.266 58.000 0.029 0.000 1.228 52 F CB -0.963 38.049 39.000 0.020 0.000 0.984 52 F HN 0.271 nan 8.300 nan 0.000 0.477 53 A N 0.476 123.356 122.820 0.100 0.000 1.883 53 A HA -0.207 4.114 4.320 0.001 0.000 0.217 53 A C 2.147 179.694 177.584 -0.063 0.000 1.186 53 A CA 1.853 53.884 52.037 -0.011 0.000 0.624 53 A CB -1.427 17.643 19.000 0.117 0.000 0.822 53 A HN 0.539 nan 8.150 nan 0.000 0.444 54 L N -0.057 121.177 121.223 0.018 0.000 2.042 54 L HA -0.138 4.202 4.340 0.001 0.000 0.210 54 L C 2.369 179.233 176.870 -0.009 0.000 1.076 54 L CA 2.081 56.940 54.840 0.032 0.000 0.749 54 L CB -0.504 41.609 42.059 0.091 0.000 0.893 54 L HN 0.157 nan 8.230 nan 0.000 0.432 55 V N -1.405 118.478 119.914 -0.053 0.000 2.427 55 V HA -0.304 3.817 4.120 0.001 0.000 0.248 55 V C 2.624 178.655 176.094 -0.105 0.000 1.051 55 V CA 1.663 63.924 62.300 -0.065 0.000 1.048 55 V CB -0.670 31.093 31.823 -0.100 0.000 0.666 55 V HN 0.641 nan 8.190 nan 0.000 0.456 56 C N -0.110 119.039 119.300 -0.251 0.000 2.413 56 C HA -0.161 4.300 4.460 0.001 0.000 0.276 56 C C 2.565 177.525 174.990 -0.049 0.000 1.248 56 C CA 0.642 59.531 59.018 -0.215 0.000 1.742 56 C CB -0.951 26.570 27.740 -0.364 0.000 2.017 56 C HN 0.462 nan 8.230 nan 0.000 0.481 57 I N 0.709 121.249 120.570 -0.050 0.000 2.235 57 I HA -0.084 4.086 4.170 0.001 0.000 0.241 57 I C 2.424 178.521 176.117 -0.033 0.000 1.085 57 I CA 1.515 62.804 61.300 -0.019 0.000 1.378 57 I CB -1.583 36.415 38.000 -0.003 0.000 1.076 57 I HN 0.316 nan 8.210 nan 0.000 0.415 58 L N -0.526 120.664 121.223 -0.056 0.000 2.051 58 L HA -0.292 4.049 4.340 0.001 0.000 0.214 58 L C 2.657 179.332 176.870 -0.325 0.000 1.076 58 L CA 1.750 56.443 54.840 -0.244 0.000 0.758 58 L CB -0.796 41.156 42.059 -0.178 0.000 0.890 58 L HN 0.441 nan 8.230 nan 0.000 0.433 59 W N 0.630 121.777 121.300 -0.254 0.000 2.317 59 W HA -0.241 4.420 4.660 0.001 0.000 0.318 59 W C 2.328 178.798 176.519 -0.083 0.000 1.227 59 W CA 2.001 59.262 57.345 -0.141 0.000 1.269 59 W CB -0.097 29.316 29.460 -0.079 0.000 1.155 59 W HN -0.049 nan 8.180 nan 0.000 0.484 60 V N 0.379 120.291 119.914 -0.003 0.000 2.358 60 V HA -0.297 3.823 4.120 0.001 0.000 0.246 60 V C 2.158 178.200 176.094 -0.086 0.000 1.047 60 V CA 1.611 63.863 62.300 -0.080 0.000 1.035 60 V CB -0.988 30.811 31.823 -0.040 0.000 0.658 60 V HN 0.043 nan 8.190 nan 0.000 0.452 61 V N 0.173 120.035 119.914 -0.088 0.000 2.237 61 V HA -0.239 3.882 4.120 0.001 0.000 0.245 61 V C 1.951 178.077 176.094 0.054 0.000 1.046 61 V CA 2.909 65.203 62.300 -0.009 0.000 1.007 61 V CB -0.601 31.248 31.823 0.043 0.000 0.638 61 V HN 0.867 nan 8.190 nan 0.000 0.445 62 Y N -1.991 118.316 120.300 0.012 0.000 2.563 62 Y HA 0.582 5.133 4.550 0.002 0.000 0.273 62 Y C 1.860 177.728 175.900 -0.052 0.000 1.034 62 Y CA 0.328 58.429 58.100 0.002 0.000 1.217 62 Y CB -0.505 37.962 38.460 0.011 0.000 1.380 62 Y HN -0.012 nan 8.280 nan 0.000 0.568 63 G N 0.818 109.336 108.800 -0.469 0.000 2.394 63 G HA2 -0.284 3.676 3.960 0.001 0.000 0.214 63 G HA3 -0.284 3.676 3.960 0.001 0.000 0.214 63 G C 1.387 175.850 174.900 -0.728 0.000 1.176 63 G CA 1.198 46.051 45.100 -0.411 0.000 0.786 63 G HN 0.461 nan 8.290 nan 0.000 0.533 64 Y N 1.812 121.327 120.300 -1.309 0.000 2.128 64 Y HA -0.188 4.363 4.550 0.001 0.000 0.284 64 Y C 3.139 178.990 175.900 -0.081 0.000 1.154 64 Y CA 1.943 59.456 58.100 -0.980 0.000 1.149 64 Y CB -0.578 37.443 38.460 -0.732 0.000 0.976 64 Y HN 0.242 nan 8.280 nan 0.000 0.505 65 S N -0.283 115.459 115.700 0.070 0.000 2.383 65 S HA -0.184 4.287 4.470 0.001 0.000 0.229 65 S C 2.056 176.632 174.600 -0.041 0.000 1.030 65 S CA 1.616 59.920 58.200 0.174 0.000 1.002 65 S CB -0.577 62.767 63.200 0.239 0.000 0.829 65 S HN 0.550 nan 8.310 nan 0.000 0.467 66 L N 0.223 121.433 121.223 -0.021 0.000 2.240 66 L HA 0.081 4.422 4.340 0.001 0.000 0.211 66 L C 2.651 179.471 176.870 -0.083 0.000 1.106 66 L CA 0.934 55.778 54.840 0.006 0.000 0.793 66 L CB -0.461 41.704 42.059 0.177 0.000 0.927 66 L HN 0.434 nan 8.230 nan 0.000 0.446 67 A N -0.633 122.097 122.820 -0.151 0.000 1.887 67 A HA -0.038 4.283 4.320 0.001 0.000 0.212 67 A C 1.604 178.916 177.584 -0.454 0.000 1.198 67 A CA 0.953 52.813 52.037 -0.295 0.000 0.628 67 A CB -0.327 18.536 19.000 -0.229 0.000 0.847 67 A HN 0.338 nan 8.150 nan 0.000 0.449 68 F N 0.128 120.017 119.950 -0.102 0.000 2.704 68 F HA 0.313 4.841 4.527 0.002 0.000 0.304 68 F C 1.647 177.462 175.800 0.025 0.000 1.094 68 F CA -0.300 57.684 58.000 -0.027 0.000 1.275 68 F CB -0.122 38.805 39.000 -0.122 0.000 1.073 68 F HN 0.219 nan 8.300 nan 0.000 0.586 69 G N 0.690 109.431 108.800 -0.099 0.000 2.636 69 G HA2 0.093 4.054 3.960 0.001 0.000 0.246 69 G HA3 0.093 4.054 3.960 0.001 0.000 0.246 69 G C -0.534 174.238 174.900 -0.212 0.000 1.216 69 G CA -0.402 44.374 45.100 -0.538 0.000 0.854 69 G HN 0.238 nan 8.290 nan 0.000 0.572 70 E N 0.212 120.262 120.200 -0.250 0.000 2.229 70 E HA 0.478 4.829 4.350 0.001 0.000 0.283 70 E C 0.660 177.207 176.600 -0.087 0.000 1.030 70 E CA -0.010 56.347 56.400 -0.072 0.000 0.836 70 E CB 0.585 30.247 29.700 -0.062 0.000 1.068 70 E HN 0.473 nan 8.360 nan 0.000 0.401 71 G N 4.118 112.908 108.800 -0.017 0.000 3.009 71 G HA2 0.129 4.090 3.960 0.001 0.000 0.193 71 G HA3 0.129 4.090 3.960 0.001 0.000 0.193 71 G C -0.324 174.581 174.900 0.009 0.000 1.636 71 G CA 0.108 45.171 45.100 -0.063 0.000 0.832 71 G HN 0.661 nan 8.290 nan 0.000 0.795 72 N N -1.149 117.571 118.700 0.034 0.000 3.369 72 N HA 0.266 5.007 4.740 0.001 0.000 0.362 72 N C 0.512 176.069 175.510 0.078 0.000 1.523 72 N CA -0.632 52.464 53.050 0.078 0.000 0.684 72 N CB 0.312 38.884 38.487 0.142 0.000 1.796 72 N HN 0.080 nan 8.380 nan 0.000 0.641 73 N N -1.186 117.470 118.700 -0.072 0.000 2.453 73 N HA 0.048 4.789 4.740 0.001 0.000 0.183 73 N C -0.003 175.151 175.510 -0.594 0.000 1.041 73 N CA 1.048 53.828 53.050 -0.451 0.000 0.900 73 N CB -0.210 37.774 38.487 -0.838 0.000 0.961 73 N HN 0.458 nan 8.380 nan 0.000 0.443 74 F N -2.114 117.876 119.950 0.066 0.000 2.699 74 F HA 0.341 4.869 4.527 0.003 0.000 0.295 74 F C 0.162 175.670 175.800 -0.487 0.000 1.052 74 F CA -0.237 57.678 58.000 -0.142 0.000 1.239 74 F CB 0.423 39.427 39.000 0.007 0.000 1.018 74 F HN -0.247 nan 8.300 nan 0.000 0.627 75 F N -0.306 119.502 119.950 -0.236 0.000 2.565 75 F HA 0.606 5.133 4.527 0.001 0.000 0.313 75 F C 0.942 176.214 175.800 -0.880 0.000 1.091 75 F CA -1.156 56.543 58.000 -0.502 0.000 0.915 75 F CB 1.406 40.300 39.000 -0.176 0.000 1.208 75 F HN -0.060 nan 8.300 nan 0.000 0.453 76 G N 1.478 109.902 108.800 -0.627 0.000 3.048 76 G HA2 0.290 4.251 3.960 0.001 0.000 0.151 76 G HA3 0.290 4.251 3.960 0.001 0.000 0.151 76 G C -0.642 174.138 174.900 -0.199 0.000 1.803 76 G CA 0.193 45.062 45.100 -0.384 0.000 1.047 76 G HN 0.737 nan 8.290 nan 0.000 0.513 77 N N -2.168 116.416 118.700 -0.195 0.000 3.204 77 N HA 0.397 5.138 4.740 0.001 0.000 0.285 77 N C -0.172 175.257 175.510 -0.135 0.000 1.536 77 N CA -0.556 52.387 53.050 -0.178 0.000 0.832 77 N CB 0.978 39.325 38.487 -0.233 0.000 1.645 77 N HN 0.592 nan 8.380 nan 0.000 0.586 78 I N -3.771 116.733 120.570 -0.111 0.000 3.736 78 I HA 0.450 4.621 4.170 0.001 0.000 0.338 78 I C -0.196 175.901 176.117 -0.034 0.000 1.558 78 I CA -0.567 60.706 61.300 -0.044 0.000 1.147 78 I CB -0.536 37.444 38.000 -0.032 0.000 1.275 78 I HN 0.396 nan 8.210 nan 0.000 0.454 79 N N 0.790 119.412 118.700 -0.130 0.000 2.396 79 N HA -0.049 4.692 4.740 0.001 0.000 0.180 79 N C 0.149 175.734 175.510 0.125 0.000 1.028 79 N CA 0.769 53.755 53.050 -0.108 0.000 0.893 79 N CB 0.071 38.362 38.487 -0.328 0.000 0.967 79 N HN 0.511 nan 8.380 nan 0.000 0.440 80 W N 1.413 122.751 121.300 0.063 0.000 2.616 80 W HA 0.367 5.028 4.660 0.002 0.000 0.419 80 W C -0.615 175.944 176.519 0.066 0.000 0.835 80 W CA -1.194 56.203 57.345 0.087 0.000 2.483 80 W CB -1.087 28.465 29.460 0.154 0.000 1.289 80 W HN -0.062 nan 8.180 nan 0.000 0.755 81 L N 2.178 123.539 121.223 0.231 0.000 2.615 81 L HA -0.081 4.260 4.340 0.001 0.000 0.271 81 L C 1.286 178.229 176.870 0.122 0.000 1.183 81 L CA 0.873 55.807 54.840 0.158 0.000 0.933 81 L CB 0.110 42.240 42.059 0.119 0.000 1.199 81 L HN 0.056 nan 8.230 nan 0.000 0.487 82 M N 5.244 124.895 119.600 0.084 0.000 2.393 82 M HA -0.270 4.211 4.480 0.001 0.000 0.201 82 M C 0.708 177.024 176.300 0.026 0.000 0.403 82 M CA 0.677 56.000 55.300 0.038 0.000 0.471 82 M CB -1.609 31.019 32.600 0.047 0.000 1.669 82 M HN 0.754 nan 8.290 nan 0.000 0.864 83 L N -2.511 118.733 121.223 0.035 0.000 4.291 83 L HA -0.262 4.079 4.340 0.001 0.000 0.413 83 L C 0.901 177.806 176.870 0.057 0.000 1.162 83 L CA 0.939 55.764 54.840 -0.026 0.000 0.961 83 L CB -1.404 40.519 42.059 -0.226 0.000 2.095 83 L HN 0.533 nan 8.230 nan 0.000 0.838 84 K N 1.469 121.948 120.400 0.131 0.000 2.485 84 K HA 0.002 4.323 4.320 0.001 0.000 0.277 84 K C 1.150 177.885 176.600 0.225 0.000 0.990 84 K CA 0.788 57.166 56.287 0.151 0.000 0.994 84 K CB 0.355 32.943 32.500 0.146 0.000 0.906 84 K HN 0.335 nan 8.250 nan 0.000 0.488 85 N N 0.776 119.583 118.700 0.177 0.000 2.936 85 N HA -0.216 4.525 4.740 0.001 0.000 0.236 85 N C -0.652 174.953 175.510 0.159 0.000 0.930 85 N CA 1.153 54.333 53.050 0.217 0.000 0.966 85 N CB -1.313 37.382 38.487 0.346 0.000 1.090 85 N HN 0.538 nan 8.380 nan 0.000 0.592 86 I N 1.821 122.405 120.570 0.024 0.000 2.282 86 I HA 0.074 4.245 4.170 0.001 0.000 0.290 86 I C 0.613 176.756 176.117 0.044 0.000 1.090 86 I CA -0.435 60.831 61.300 -0.058 0.000 1.231 86 I CB 0.488 38.372 38.000 -0.193 0.000 1.434 86 I HN -0.112 nan 8.210 nan 0.000 0.487 87 E N 3.951 124.164 120.200 0.022 0.000 2.534 87 E HA -0.115 4.236 4.350 0.001 0.000 0.264 87 E C 0.868 177.408 176.600 -0.101 0.000 0.981 87 E CA 0.030 56.419 56.400 -0.018 0.000 0.948 87 E CB 1.200 30.900 29.700 0.000 0.000 0.934 87 E HN 0.467 nan 8.360 nan 0.000 0.459 88 L N 3.942 125.034 121.223 -0.218 0.000 2.079 88 L HA -0.187 4.153 4.340 0.001 0.000 0.210 88 L C 2.021 178.673 176.870 -0.363 0.000 1.081 88 L CA 2.445 57.008 54.840 -0.460 0.000 0.752 88 L CB -0.727 41.070 42.059 -0.437 0.000 0.896 88 L HN 0.667 nan 8.230 nan 0.000 0.433 89 T N -2.424 112.022 114.554 -0.179 0.000 3.169 89 T HA 0.406 4.757 4.350 0.001 0.000 0.250 89 T C 0.843 175.652 174.700 0.183 0.000 1.111 89 T CA 0.108 62.199 62.100 -0.014 0.000 1.010 89 T CB -0.745 68.138 68.868 0.026 0.000 0.984 89 T HN 0.400 nan 8.240 nan 0.000 0.537 90 A N 1.454 124.329 122.820 0.092 0.000 2.520 90 A HA 0.514 4.834 4.320 0.001 0.000 0.245 90 A C 0.252 177.918 177.584 0.136 0.000 1.072 90 A CA -0.331 51.761 52.037 0.092 0.000 0.761 90 A CB 0.026 19.049 19.000 0.039 0.000 1.004 90 A HN 0.381 nan 8.150 nan 0.000 0.499 91 V N 3.469 123.411 119.914 0.047 0.000 2.547 91 V HA 0.611 4.732 4.120 0.001 0.000 0.299 91 V C 0.028 176.089 176.094 -0.055 0.000 1.040 91 V CA -0.373 61.898 62.300 -0.047 0.000 0.913 91 V CB 1.487 33.238 31.823 -0.120 0.000 0.992 91 V HN 0.991 nan 8.190 nan 0.000 0.449 92 M N 4.208 123.750 119.600 -0.095 0.000 2.151 92 M HA 0.709 5.190 4.480 0.001 0.000 0.290 92 M C 0.264 176.478 176.300 -0.143 0.000 0.965 92 M CA 1.023 56.239 55.300 -0.139 0.000 0.930 92 M CB 1.123 33.567 32.600 -0.260 0.000 1.560 92 M HN 1.070 nan 8.290 nan 0.000 0.438 93 G N 3.138 111.872 108.800 -0.109 0.000 2.609 93 G HA2 -0.296 3.665 3.960 0.001 0.000 0.288 93 G HA3 -0.296 3.665 3.960 0.001 0.000 0.288 93 G C 0.301 175.147 174.900 -0.090 0.000 1.211 93 G CA 0.647 45.694 45.100 -0.088 0.000 0.963 93 G HN 1.679 nan 8.290 nan 0.000 0.541 94 S N 0.254 115.895 115.700 -0.099 0.000 2.846 94 S HA 0.625 5.095 4.470 0.001 0.000 0.249 94 S C 0.456 174.960 174.600 -0.161 0.000 1.028 94 S CA 0.532 58.663 58.200 -0.116 0.000 1.043 94 S CB -0.312 62.838 63.200 -0.083 0.000 0.990 94 S HN 1.715 nan 8.310 nan 0.000 0.564 95 I N -2.441 118.029 120.570 -0.167 0.000 2.892 95 I HA 0.699 4.870 4.170 0.001 0.000 0.306 95 I C -1.016 174.982 176.117 -0.197 0.000 1.078 95 I CA -1.753 59.437 61.300 -0.184 0.000 1.032 95 I CB 0.895 38.847 38.000 -0.079 0.000 1.229 95 I HN -0.126 nan 8.210 nan 0.000 0.435 96 Y N 2.112 122.400 120.300 -0.019 0.000 2.712 96 Y HA -0.015 4.536 4.550 0.001 0.000 0.333 96 Y C 1.712 177.619 175.900 0.010 0.000 1.225 96 Y CA 0.512 58.603 58.100 -0.015 0.000 1.499 96 Y CB 0.398 38.845 38.460 -0.021 0.000 1.288 96 Y HN 0.688 nan 8.280 nan 0.000 0.575 97 Q N 1.838 121.741 119.800 0.172 0.000 2.135 97 Q HA -0.244 4.097 4.340 0.001 0.000 0.204 97 Q C 1.310 177.366 176.000 0.093 0.000 0.981 97 Q CA 1.640 57.490 55.803 0.077 0.000 0.856 97 Q CB -0.207 28.518 28.738 -0.021 0.000 0.902 97 Q HN 0.848 nan 8.270 nan 0.000 0.425 98 Y N 0.567 120.821 120.300 -0.077 0.000 2.132 98 Y HA -0.303 4.248 4.550 0.002 0.000 0.280 98 Y C 1.970 177.834 175.900 -0.060 0.000 1.193 98 Y CA 1.559 59.595 58.100 -0.107 0.000 1.157 98 Y CB -0.333 38.074 38.460 -0.088 0.000 0.966 98 Y HN 0.203 nan 8.280 nan 0.000 0.511 99 I N -1.511 119.156 120.570 0.161 0.000 2.252 99 I HA -0.334 3.837 4.170 0.001 0.000 0.245 99 I C 2.618 178.779 176.117 0.073 0.000 1.102 99 I CA 1.562 62.922 61.300 0.101 0.000 1.385 99 I CB -0.598 37.462 38.000 0.100 0.000 1.064 99 I HN 0.331 nan 8.210 nan 0.000 0.414 100 H N 1.090 120.134 119.070 -0.044 0.000 2.319 100 H HA -0.158 4.398 4.556 0.001 0.000 0.299 100 H C 2.338 177.622 175.328 -0.075 0.000 1.092 100 H CA 2.146 58.156 56.048 -0.065 0.000 1.302 100 H CB 0.148 29.864 29.762 -0.077 0.000 1.373 100 H HN 0.116 nan 8.280 nan 0.000 0.497 101 V N 1.311 121.078 119.914 -0.244 0.000 2.287 101 V HA -0.308 3.813 4.120 0.001 0.000 0.248 101 V C 3.038 179.117 176.094 -0.025 0.000 1.053 101 V CA 1.841 63.868 62.300 -0.455 0.000 1.027 101 V CB -1.197 30.161 31.823 -0.776 0.000 0.646 101 V HN 0.599 nan 8.190 nan 0.000 0.447 102 A N -0.810 121.981 122.820 -0.049 0.000 1.873 102 A HA -0.187 4.134 4.320 0.001 0.000 0.215 102 A C 2.105 179.687 177.584 -0.004 0.000 1.186 102 A CA 1.767 53.801 52.037 -0.005 0.000 0.616 102 A CB -0.708 18.300 19.000 0.014 0.000 0.823 102 A HN 0.482 nan 8.150 nan 0.000 0.442 103 F N 0.782 120.651 119.950 -0.135 0.000 2.095 103 F HA -0.237 4.291 4.527 0.001 0.000 0.298 103 F C 2.572 178.248 175.800 -0.207 0.000 1.104 103 F CA 2.266 60.173 58.000 -0.155 0.000 1.232 103 F CB -0.164 38.704 39.000 -0.220 0.000 0.987 103 F HN 0.213 nan 8.300 nan 0.000 0.475 104 Q N 0.064 119.705 119.800 -0.264 0.000 2.079 104 Q HA -0.087 4.254 4.340 0.001 0.000 0.200 104 Q C 2.588 178.290 176.000 -0.498 0.000 0.974 104 Q CA 1.432 57.030 55.803 -0.341 0.000 0.840 104 Q CB -1.380 27.269 28.738 -0.148 0.000 0.898 104 Q HN 0.557 nan 8.270 nan 0.000 0.430 105 G N 1.138 109.515 108.800 -0.705 0.000 2.432 105 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 105 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 105 G C 1.655 176.108 174.900 -0.745 0.000 1.135 105 G CA 1.392 45.586 45.100 -1.510 0.000 0.767 105 G HN 0.508 nan 8.290 nan 0.000 0.550 106 S N 0.102 115.566 115.700 -0.393 0.000 2.419 106 S HA -0.027 4.444 4.470 0.001 0.000 0.233 106 S C 2.035 176.498 174.600 -0.229 0.000 1.016 106 S CA 0.950 59.011 58.200 -0.233 0.000 0.974 106 S CB -0.473 62.633 63.200 -0.158 0.000 0.786 106 S HN 0.176 nan 8.310 nan 0.000 0.492 107 F N 2.341 122.016 119.950 -0.459 0.000 2.206 107 F HA 0.318 4.845 4.527 0.001 0.000 0.298 107 F C 2.824 178.447 175.800 -0.294 0.000 1.090 107 F CA 0.176 58.009 58.000 -0.278 0.000 1.323 107 F CB -1.031 37.834 39.000 -0.225 0.000 1.028 107 F HN 0.306 nan 8.300 nan 0.000 0.492 108 A N -0.806 121.739 122.820 -0.458 0.000 1.908 108 A HA -0.219 4.102 4.320 0.001 0.000 0.218 108 A C 2.367 179.686 177.584 -0.441 0.000 1.181 108 A CA 1.927 53.418 52.037 -0.910 0.000 0.627 108 A CB -1.504 16.900 19.000 -0.993 0.000 0.818 108 A HN 0.461 nan 8.150 nan 0.000 0.445 109 C N -1.281 117.836 119.300 -0.305 0.000 2.413 109 C HA -0.116 4.344 4.460 0.001 0.000 0.277 109 C C 2.487 177.470 174.990 -0.013 0.000 1.228 109 C CA 1.205 60.163 59.018 -0.100 0.000 1.731 109 C CB -1.262 26.483 27.740 0.008 0.000 2.042 109 C HN 0.701 nan 8.230 nan 0.000 0.468 110 I N 1.072 121.601 120.570 -0.069 0.000 2.493 110 I HA -0.128 4.043 4.170 0.001 0.000 0.254 110 I C 2.271 178.374 176.117 -0.024 0.000 1.160 110 I CA 1.785 63.039 61.300 -0.078 0.000 1.445 110 I CB -0.639 37.237 38.000 -0.206 0.000 1.086 110 I HN 0.306 nan 8.210 nan 0.000 0.433 111 T N -0.217 114.345 114.554 0.014 0.000 2.674 111 T HA -0.136 4.214 4.350 0.001 0.000 0.265 111 T C 2.030 176.808 174.700 0.129 0.000 1.039 111 T CA 1.864 64.044 62.100 0.134 0.000 1.150 111 T CB -0.570 68.443 68.868 0.242 0.000 0.864 111 T HN 0.200 nan 8.240 nan 0.000 0.427 112 V N 1.528 121.504 119.914 0.103 0.000 2.343 112 V HA -0.098 4.023 4.120 0.001 0.000 0.247 112 V C 2.901 179.051 176.094 0.093 0.000 1.051 112 V CA 1.905 64.270 62.300 0.108 0.000 1.036 112 V CB -1.447 30.448 31.823 0.119 0.000 0.654 112 V HN 0.621 nan 8.190 nan 0.000 0.451 113 G N -0.002 108.853 108.800 0.091 0.000 2.505 113 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 113 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 113 G C 1.574 176.561 174.900 0.144 0.000 1.145 113 G CA 1.240 46.399 45.100 0.099 0.000 0.761 113 G HN 0.473 nan 8.290 nan 0.000 0.571 114 L N 0.085 121.390 121.223 0.136 0.000 2.042 114 L HA -0.071 4.270 4.340 0.001 0.000 0.210 114 L C 2.905 179.974 176.870 0.332 0.000 1.076 114 L CA 0.886 55.857 54.840 0.217 0.000 0.749 114 L CB -0.384 41.713 42.059 0.064 0.000 0.893 114 L HN 0.259 nan 8.230 nan 0.000 0.432 115 I N -1.207 119.492 120.570 0.216 0.000 2.233 115 I HA -0.204 3.966 4.170 0.001 0.000 0.243 115 I C 2.397 178.565 176.117 0.085 0.000 1.093 115 I CA 0.897 62.303 61.300 0.177 0.000 1.380 115 I CB -0.312 37.641 38.000 -0.077 0.000 1.067 115 I HN 0.012 nan 8.210 nan 0.000 0.413 116 V N 1.219 121.144 119.914 0.018 0.000 2.488 116 V HA -0.082 4.038 4.120 0.001 0.000 0.246 116 V C 2.617 178.600 176.094 -0.184 0.000 1.046 116 V CA 1.846 64.116 62.300 -0.050 0.000 1.053 116 V CB -1.074 30.750 31.823 0.003 0.000 0.679 116 V HN 0.538 nan 8.190 nan 0.000 0.458 117 G N -0.219 108.417 108.800 -0.274 0.000 2.450 117 G HA2 -0.196 3.765 3.960 0.001 0.000 0.220 117 G HA3 -0.196 3.765 3.960 0.001 0.000 0.220 117 G C 1.645 175.883 174.900 -1.104 0.000 1.130 117 G CA 1.156 45.882 45.100 -0.622 0.000 0.760 117 G HN 0.599 nan 8.290 nan 0.000 0.557 118 A N 0.029 122.228 122.820 -1.035 0.000 1.911 118 A HA 0.384 4.705 4.320 0.001 0.000 0.212 118 A C 2.167 179.601 177.584 -0.249 0.000 1.189 118 A CA 0.576 52.208 52.037 -0.675 0.000 0.639 118 A CB -0.081 18.665 19.000 -0.423 0.000 0.839 118 A HN 0.299 nan 8.150 nan 0.000 0.449 119 L N -0.662 120.472 121.223 -0.148 0.000 2.607 119 L HA 0.174 4.515 4.340 0.001 0.000 0.228 119 L C 2.608 179.394 176.870 -0.140 0.000 1.123 119 L CA 0.428 55.199 54.840 -0.114 0.000 0.890 119 L CB -0.174 41.822 42.059 -0.106 0.000 1.103 119 L HN 0.365 nan 8.230 nan 0.000 0.468 120 A N 0.612 123.328 122.820 -0.173 0.000 1.917 120 A HA -0.256 4.064 4.320 0.001 0.000 0.219 120 A C 2.135 179.632 177.584 -0.146 0.000 1.182 120 A CA 1.790 53.722 52.037 -0.175 0.000 0.633 120 A CB -0.380 18.499 19.000 -0.202 0.000 0.819 120 A HN 0.455 nan 8.150 nan 0.000 0.448 121 E N -0.922 119.198 120.200 -0.133 0.000 2.164 121 E HA -0.280 4.071 4.350 0.001 0.000 0.206 121 E C 1.867 178.415 176.600 -0.086 0.000 1.032 121 E CA 1.863 58.203 56.400 -0.101 0.000 0.832 121 E CB -0.133 29.512 29.700 -0.091 0.000 0.742 121 E HN 0.666 nan 8.360 nan 0.000 0.460 122 R N -0.886 119.558 120.500 -0.092 0.000 2.446 122 R HA 0.342 4.682 4.340 0.001 0.000 0.254 122 R C 0.396 176.647 176.300 -0.082 0.000 0.918 122 R CA -0.157 55.892 56.100 -0.084 0.000 1.069 122 R CB 1.006 31.250 30.300 -0.093 0.000 1.194 122 R HN 0.034 nan 8.270 nan 0.000 0.534 123 I N 1.441 121.963 120.570 -0.081 0.000 2.404 123 I HA 0.274 4.444 4.170 0.001 0.000 0.293 123 I C -0.147 175.959 176.117 -0.018 0.000 0.992 123 I CA -1.289 59.978 61.300 -0.055 0.000 1.149 123 I CB 1.175 39.139 38.000 -0.061 0.000 1.315 123 I HN 0.024 nan 8.210 nan 0.000 0.446 124 R N 5.808 126.321 120.500 0.021 0.000 2.640 124 R HA -0.061 4.280 4.340 0.001 0.000 0.270 124 R C 0.475 176.863 176.300 0.147 0.000 1.024 124 R CA 0.457 56.602 56.100 0.074 0.000 1.085 124 R CB 0.371 30.715 30.300 0.073 0.000 0.963 124 R HN 0.782 nan 8.270 nan 0.000 0.426 125 F N 2.513 122.476 119.950 0.023 0.000 2.069 125 F HA -0.309 4.219 4.527 0.001 0.000 0.298 125 F C 2.461 178.290 175.800 0.049 0.000 1.113 125 F CA 1.866 59.886 58.000 0.034 0.000 1.214 125 F CB 0.002 39.019 39.000 0.029 0.000 0.978 125 F HN 0.779 nan 8.300 nan 0.000 0.474 126 S N 0.497 116.373 115.700 0.294 0.000 2.399 126 S HA -0.196 4.275 4.470 0.001 0.000 0.231 126 S C 2.014 176.719 174.600 0.175 0.000 1.022 126 S CA 0.804 59.101 58.200 0.162 0.000 0.983 126 S CB -0.922 62.325 63.200 0.078 0.000 0.803 126 S HN 0.420 nan 8.310 nan 0.000 0.480 127 A N 0.987 123.909 122.820 0.170 0.000 1.969 127 A HA 0.140 4.460 4.320 0.001 0.000 0.218 127 A C 2.370 180.081 177.584 0.212 0.000 1.169 127 A CA 1.233 53.368 52.037 0.164 0.000 0.635 127 A CB -0.962 18.112 19.000 0.123 0.000 0.810 127 A HN 0.484 nan 8.150 nan 0.000 0.445 128 V N -0.016 120.026 119.914 0.213 0.000 2.453 128 V HA -0.155 3.966 4.120 0.001 0.000 0.247 128 V C 2.352 178.616 176.094 0.283 0.000 1.048 128 V CA 1.843 64.275 62.300 0.221 0.000 1.049 128 V CB -0.390 31.501 31.823 0.114 0.000 0.672 128 V HN 0.594 nan 8.190 nan 0.000 0.457 129 L N -0.610 120.782 121.223 0.282 0.000 2.017 129 L HA -0.163 4.177 4.340 0.001 0.000 0.208 129 L C 2.386 179.369 176.870 0.189 0.000 1.073 129 L CA 1.906 56.888 54.840 0.236 0.000 0.745 129 L CB -0.581 41.602 42.059 0.206 0.000 0.894 129 L HN 0.256 nan 8.230 nan 0.000 0.432 130 I N -0.713 119.964 120.570 0.178 0.000 2.163 130 I HA -0.356 3.815 4.170 0.001 0.000 0.243 130 I C 2.541 178.746 176.117 0.147 0.000 1.085 130 I CA 1.621 63.007 61.300 0.142 0.000 1.347 130 I CB -0.338 37.740 38.000 0.130 0.000 1.044 130 I HN 0.147 nan 8.210 nan 0.000 0.408 131 F N 1.272 121.257 119.950 0.058 0.000 2.095 131 F HA -0.230 4.298 4.527 0.000 0.000 0.298 131 F C 2.389 178.237 175.800 0.081 0.000 1.104 131 F CA 1.731 59.732 58.000 0.002 0.000 1.232 131 F CB -0.468 38.486 39.000 -0.076 0.000 0.987 131 F HN -0.230 nan 8.300 nan 0.000 0.475 132 V N -0.187 119.807 119.914 0.135 0.000 2.287 132 V HA -0.332 3.789 4.120 0.001 0.000 0.248 132 V C 2.396 178.542 176.094 0.086 0.000 1.053 132 V CA 1.758 64.128 62.300 0.116 0.000 1.027 132 V CB -0.907 31.035 31.823 0.198 0.000 0.646 132 V HN 0.307 nan 8.190 nan 0.000 0.447 133 V N -0.311 119.660 119.914 0.095 0.000 2.261 133 V HA -0.244 3.877 4.120 0.001 0.000 0.246 133 V C 2.409 178.550 176.094 0.078 0.000 1.047 133 V CA 2.091 64.462 62.300 0.118 0.000 1.015 133 V CB -0.623 31.271 31.823 0.118 0.000 0.642 133 V HN 0.399 nan 8.190 nan 0.000 0.446 134 V N -1.245 118.667 119.914 -0.004 0.000 2.255 134 V HA -0.320 3.801 4.120 0.001 0.000 0.247 134 V C 2.013 178.082 176.094 -0.041 0.000 1.051 134 V CA 2.668 64.947 62.300 -0.036 0.000 1.018 134 V CB -0.779 30.993 31.823 -0.085 0.000 0.641 134 V HN 0.766 nan 8.190 nan 0.000 0.445 135 W N 0.077 121.132 121.300 -0.409 0.000 2.409 135 W HA -0.108 4.553 4.660 0.000 0.000 0.299 135 W C 2.221 178.708 176.519 -0.055 0.000 1.203 135 W CA 1.562 58.691 57.345 -0.360 0.000 1.298 135 W CB -0.218 28.741 29.460 -0.836 0.000 1.127 135 W HN 0.202 nan 8.180 nan 0.000 0.528 136 L N 0.316 121.645 121.223 0.176 0.000 2.042 136 L HA -0.194 4.147 4.340 0.001 0.000 0.210 136 L C 2.240 179.193 176.870 0.139 0.000 1.076 136 L CA 2.704 57.644 54.840 0.167 0.000 0.749 136 L CB -1.131 41.066 42.059 0.230 0.000 0.893 136 L HN -0.118 nan 8.230 nan 0.000 0.432 137 T N -0.553 114.106 114.554 0.174 0.000 2.812 137 T HA -0.021 4.330 4.350 0.001 0.000 0.264 137 T C 1.724 176.553 174.700 0.215 0.000 1.042 137 T CA 1.536 63.795 62.100 0.264 0.000 1.140 137 T CB -0.090 68.922 68.868 0.241 0.000 0.870 137 T HN 0.262 nan 8.240 nan 0.000 0.445 138 L N -0.101 121.185 121.223 0.105 0.000 2.590 138 L HA 0.303 4.644 4.340 0.001 0.000 0.227 138 L C 2.224 179.183 176.870 0.148 0.000 1.099 138 L CA 0.331 55.276 54.840 0.176 0.000 0.872 138 L CB 0.122 42.248 42.059 0.112 0.000 1.088 138 L HN 0.231 nan 8.230 nan 0.000 0.479 139 S N -1.312 114.282 115.700 -0.176 0.000 3.148 139 S HA -0.033 4.438 4.470 0.001 0.000 0.246 139 S C 1.702 175.959 174.600 -0.571 0.000 1.041 139 S CA -0.150 57.830 58.200 -0.366 0.000 0.813 139 S CB -0.233 62.406 63.200 -0.934 0.000 0.813 139 S HN 0.298 nan 8.310 nan 0.000 0.546 140 Y N 2.353 122.169 120.300 -0.806 0.000 2.114 140 Y HA 0.052 4.602 4.550 0.001 0.000 0.284 140 Y C 1.963 177.728 175.900 -0.224 0.000 1.143 140 Y CA 1.999 59.805 58.100 -0.489 0.000 1.135 140 Y CB -0.394 37.887 38.460 -0.298 0.000 0.980 140 Y HN 0.311 nan 8.280 nan 0.000 0.499 141 I N 0.365 120.945 120.570 0.016 0.000 2.091 141 I HA -0.289 3.882 4.170 0.001 0.000 0.239 141 I C -0.658 175.265 176.117 -0.324 0.000 1.061 141 I CA 1.744 63.047 61.300 0.006 0.000 1.317 141 I CB -1.483 36.633 38.000 0.194 0.000 1.031 141 I HN 0.224 nan 8.210 nan 0.000 0.401 142 P HA -0.139 nan 4.420 nan 0.000 0.216 142 P C 1.830 178.685 177.300 -0.741 0.000 1.153 142 P CA 1.596 64.235 63.100 -0.770 0.000 0.848 142 P CB -0.020 31.145 31.700 -0.893 0.000 0.787 143 I N -0.789 119.296 120.570 -0.808 0.000 2.252 143 I HA -0.201 3.970 4.170 0.001 0.000 0.245 143 I C 2.334 178.021 176.117 -0.717 0.000 1.102 143 I CA 1.219 62.055 61.300 -0.773 0.000 1.385 143 I CB -0.816 36.767 38.000 -0.695 0.000 1.064 143 I HN -0.093 nan 8.210 nan 0.000 0.414 144 A N 0.398 122.758 122.820 -0.768 0.000 1.908 144 A HA -0.332 3.989 4.320 0.001 0.000 0.218 144 A C 2.186 179.453 177.584 -0.528 0.000 1.181 144 A CA 2.320 53.965 52.037 -0.654 0.000 0.627 144 A CB -1.057 17.651 19.000 -0.488 0.000 0.818 144 A HN 0.523 nan 8.150 nan 0.000 0.445 145 H N -0.715 118.002 119.070 -0.588 0.000 2.321 145 H HA -0.029 4.528 4.556 0.001 0.000 0.300 145 H C 2.002 177.073 175.328 -0.430 0.000 1.087 145 H CA 2.209 57.947 56.048 -0.517 0.000 1.319 145 H CB -0.234 29.253 29.762 -0.458 0.000 1.379 145 H HN 0.429 nan 8.280 nan 0.000 0.501 146 M N -0.888 118.435 119.600 -0.462 0.000 2.213 146 M HA -0.144 4.337 4.480 0.001 0.000 0.263 146 M C 1.955 178.013 176.300 -0.404 0.000 1.062 146 M CA 1.244 56.270 55.300 -0.456 0.000 1.105 146 M CB 0.204 32.523 32.600 -0.468 0.000 1.385 146 M HN 0.212 nan 8.290 nan 0.000 0.417 147 V N -2.328 117.313 119.914 -0.454 0.000 2.581 147 V HA -0.085 4.036 4.120 0.001 0.000 0.240 147 V C 1.378 177.336 176.094 -0.226 0.000 1.054 147 V CA 1.060 63.103 62.300 -0.427 0.000 1.076 147 V CB -0.098 31.297 31.823 -0.714 0.000 0.748 147 V HN 0.547 nan 8.190 nan 0.000 0.474 148 W N 0.071 121.264 121.300 -0.179 0.000 2.998 148 W HA 0.492 5.153 4.660 0.002 0.000 0.336 148 W C 1.548 178.041 176.519 -0.042 0.000 1.112 148 W CA 0.376 57.699 57.345 -0.037 0.000 1.682 148 W CB -0.066 29.469 29.460 0.126 0.000 1.065 148 W HN 0.327 nan 8.180 nan 0.000 0.570 149 G N -0.513 108.184 108.800 -0.171 0.000 3.899 149 G HA2 0.376 4.336 3.960 0.001 0.000 0.293 149 G HA3 0.376 4.336 3.960 0.001 0.000 0.293 149 G C 1.111 175.701 174.900 -0.517 0.000 1.054 149 G CA 0.091 44.990 45.100 -0.336 0.000 0.846 149 G HN 0.208 nan 8.290 nan 0.000 0.525 150 G N -0.566 108.049 108.800 -0.309 0.000 2.179 150 G HA2 -0.059 3.902 3.960 0.001 0.000 0.257 150 G HA3 -0.059 3.902 3.960 0.001 0.000 0.257 150 G C 0.912 175.587 174.900 -0.375 0.000 1.010 150 G CA 0.462 45.406 45.100 -0.260 0.000 0.736 150 G HN 1.016 nan 8.290 nan 0.000 0.513 151 G N -0.961 107.499 108.800 -0.567 0.000 2.514 151 G HA2 0.505 4.465 3.960 0.001 0.000 0.245 151 G HA3 0.505 4.465 3.960 0.001 0.000 0.245 151 G C 1.366 176.056 174.900 -0.350 0.000 1.488 151 G CA 0.211 45.034 45.100 -0.462 0.000 1.063 151 G HN 0.900 nan 8.290 nan 0.000 0.557 152 L N -0.490 120.484 121.223 -0.415 0.000 1.990 152 L HA -0.111 4.230 4.340 0.001 0.000 0.213 152 L C 2.765 179.582 176.870 -0.088 0.000 1.072 152 L CA 1.851 56.513 54.840 -0.297 0.000 0.755 152 L CB -0.543 41.268 42.059 -0.412 0.000 0.889 152 L HN 0.471 nan 8.230 nan 0.000 0.432 153 L N -1.184 119.959 121.223 -0.134 0.000 2.109 153 L HA -0.075 4.266 4.340 0.001 0.000 0.207 153 L C 2.686 179.533 176.870 -0.039 0.000 1.086 153 L CA 0.897 55.705 54.840 -0.054 0.000 0.760 153 L CB -1.048 40.935 42.059 -0.127 0.000 0.910 153 L HN 0.365 nan 8.230 nan 0.000 0.437 154 A N 0.826 123.585 122.820 -0.103 0.000 1.883 154 A HA -0.249 4.071 4.320 0.001 0.000 0.217 154 A C 2.515 180.058 177.584 -0.068 0.000 1.186 154 A CA 2.286 54.285 52.037 -0.063 0.000 0.624 154 A CB -0.828 18.119 19.000 -0.088 0.000 0.822 154 A HN 0.524 nan 8.150 nan 0.000 0.444 155 S N -1.157 114.457 115.700 -0.145 0.000 2.474 155 S HA -0.143 4.327 4.470 0.001 0.000 0.235 155 S C 1.307 175.734 174.600 -0.290 0.000 0.997 155 S CA 1.371 59.441 58.200 -0.216 0.000 0.949 155 S CB -0.688 62.338 63.200 -0.289 0.000 0.766 155 S HN 0.744 nan 8.310 nan 0.000 0.517 156 H N 0.621 119.667 119.070 -0.039 0.000 2.551 156 H HA 0.432 4.989 4.556 0.001 0.000 0.271 156 H C 1.474 176.819 175.328 0.029 0.000 0.984 156 H CA 0.253 56.299 56.048 -0.002 0.000 1.164 156 H CB 0.421 30.169 29.762 -0.023 0.000 1.437 156 H HN 0.542 nan 8.280 nan 0.000 0.550 157 G N 0.348 109.206 108.800 0.097 0.000 2.131 157 G HA2 -0.205 3.756 3.960 0.001 0.000 0.201 157 G HA3 -0.205 3.756 3.960 0.001 0.000 0.201 157 G C 0.331 175.275 174.900 0.073 0.000 1.000 157 G CA -0.095 45.058 45.100 0.088 0.000 0.680 157 G HN 0.613 nan 8.290 nan 0.000 0.514 158 A N -0.090 122.765 122.820 0.058 0.000 2.498 158 A HA 0.609 4.930 4.320 0.001 0.000 0.239 158 A C 0.609 178.236 177.584 0.073 0.000 1.068 158 A CA 0.374 52.437 52.037 0.043 0.000 0.766 158 A CB 0.301 19.308 19.000 0.011 0.000 1.003 158 A HN 0.964 nan 8.150 nan 0.000 0.497 159 L N 2.473 123.741 121.223 0.075 0.000 2.287 159 L HA 0.458 4.798 4.340 0.001 0.000 0.287 159 L C -0.583 176.461 176.870 0.289 0.000 1.022 159 L CA -0.294 54.611 54.840 0.108 0.000 0.814 159 L CB 1.373 43.363 42.059 -0.115 0.000 1.217 159 L HN 0.760 nan 8.230 nan 0.000 0.420 160 D N 2.142 122.831 120.400 0.481 0.000 2.351 160 D HA 0.068 4.709 4.640 0.001 0.000 0.235 160 D C 0.141 176.847 176.300 0.676 0.000 1.331 160 D CA -0.442 53.855 54.000 0.495 0.000 0.959 160 D CB 0.679 41.637 40.800 0.262 0.000 1.432 160 D HN 0.282 nan 8.370 nan 0.000 0.544 161 F N 3.085 123.343 119.950 0.513 0.000 2.102 161 F HA 0.080 4.607 4.527 0.001 0.000 0.298 161 F C 1.657 177.653 175.800 0.327 0.000 1.105 161 F CA 2.007 60.176 58.000 0.282 0.000 1.239 161 F CB 0.462 39.429 39.000 -0.055 0.000 0.991 161 F HN 0.420 nan 8.300 nan 0.000 0.474 162 A N -1.556 121.590 122.820 0.544 0.000 2.628 162 A HA 0.562 4.883 4.320 0.001 0.000 0.267 162 A C 0.867 178.925 177.584 0.790 0.000 1.159 162 A CA 0.402 52.715 52.037 0.461 0.000 0.972 162 A CB -0.218 19.090 19.000 0.513 0.000 1.211 162 A HN 0.864 nan 8.150 nan 0.000 0.576 163 G N -0.901 108.393 108.800 0.824 0.000 2.338 163 G HA2 0.095 4.056 3.960 0.001 0.000 0.115 163 G HA3 0.095 4.056 3.960 0.001 0.000 0.115 163 G C 0.978 176.176 174.900 0.496 0.000 1.053 163 G CA 0.299 45.805 45.100 0.677 0.000 0.733 163 G HN 1.120 nan 8.290 nan 0.000 0.482 164 G N 0.383 109.431 108.800 0.412 0.000 2.446 164 G HA2 -0.009 3.952 3.960 0.001 0.000 0.217 164 G HA3 -0.009 3.952 3.960 0.001 0.000 0.217 164 G C 1.943 176.988 174.900 0.242 0.000 1.168 164 G CA 2.676 47.973 45.100 0.329 0.000 0.771 164 G HN 1.474 nan 8.290 nan 0.000 0.551 165 T N -0.911 113.727 114.554 0.140 0.000 2.735 165 T HA -0.033 4.317 4.350 0.001 0.000 0.256 165 T C 2.351 177.052 174.700 0.001 0.000 1.042 165 T CA 1.481 63.609 62.100 0.047 0.000 1.147 165 T CB -0.637 68.198 68.868 -0.055 0.000 0.865 165 T HN 0.018 nan 8.240 nan 0.000 0.421 166 V N 1.524 121.341 119.914 -0.162 0.000 2.407 166 V HA -0.089 4.031 4.120 0.001 0.000 0.248 166 V C 2.752 178.943 176.094 0.163 0.000 1.055 166 V CA 1.437 63.578 62.300 -0.266 0.000 1.049 166 V CB -0.770 30.546 31.823 -0.845 0.000 0.662 166 V HN 0.416 nan 8.190 nan 0.000 0.455 167 V N -0.392 119.736 119.914 0.356 0.000 2.502 167 V HA 0.134 4.255 4.120 0.001 0.000 0.234 167 V C 2.576 178.920 176.094 0.417 0.000 1.072 167 V CA 1.325 63.920 62.300 0.492 0.000 1.094 167 V CB -0.849 31.339 31.823 0.609 0.000 0.761 167 V HN 0.426 nan 8.190 nan 0.000 0.489 168 A N 0.107 123.178 122.820 0.418 0.000 1.858 168 A HA -0.149 4.171 4.320 0.001 0.000 0.216 168 A C 2.148 179.953 177.584 0.369 0.000 1.190 168 A CA 2.119 54.416 52.037 0.434 0.000 0.617 168 A CB -0.620 18.643 19.000 0.439 0.000 0.827 168 A HN 0.489 nan 8.150 nan 0.000 0.443 169 I N -0.750 120.002 120.570 0.303 0.000 2.333 169 I HA -0.179 3.992 4.170 0.001 0.000 0.246 169 I C 2.395 178.676 176.117 0.272 0.000 1.106 169 I CA 1.076 62.532 61.300 0.260 0.000 1.411 169 I CB -0.466 37.655 38.000 0.201 0.000 1.082 169 I HN 0.337 nan 8.210 nan 0.000 0.420 170 N N 1.666 120.542 118.700 0.294 0.000 2.036 170 N HA -0.247 4.493 4.740 0.001 0.000 0.199 170 N C 1.787 177.600 175.510 0.505 0.000 1.036 170 N CA 2.420 55.721 53.050 0.418 0.000 0.870 170 N CB -0.230 38.499 38.487 0.403 0.000 1.055 170 N HN 0.378 nan 8.380 nan 0.000 0.436 171 A N -0.102 122.959 122.820 0.401 0.000 1.968 171 A HA 0.204 4.525 4.320 0.001 0.000 0.217 171 A C 2.346 179.970 177.584 0.067 0.000 1.169 171 A CA 1.749 53.900 52.037 0.190 0.000 0.638 171 A CB -0.947 18.178 19.000 0.208 0.000 0.812 171 A HN 0.440 nan 8.150 nan 0.000 0.446 172 A N 0.434 123.381 122.820 0.211 0.000 1.883 172 A HA -0.099 4.222 4.320 0.001 0.000 0.217 172 A C 2.019 179.618 177.584 0.026 0.000 1.186 172 A CA 1.734 53.902 52.037 0.218 0.000 0.624 172 A CB -0.512 18.677 19.000 0.315 0.000 0.822 172 A HN 0.402 nan 8.150 nan 0.000 0.444 173 I N -0.045 120.590 120.570 0.108 0.000 2.113 173 I HA -0.229 3.942 4.170 0.001 0.000 0.238 173 I C 3.036 179.180 176.117 0.045 0.000 1.070 173 I CA 1.488 62.853 61.300 0.109 0.000 1.332 173 I CB -1.821 36.299 38.000 0.199 0.000 1.044 173 I HN 0.361 nan 8.210 nan 0.000 0.402 174 A N 1.152 124.011 122.820 0.066 0.000 1.927 174 A HA -0.208 4.112 4.320 0.001 0.000 0.220 174 A C 2.488 179.937 177.584 -0.225 0.000 1.185 174 A CA 2.346 54.354 52.037 -0.048 0.000 0.639 174 A CB -1.460 17.222 19.000 -0.529 0.000 0.820 174 A HN 0.492 nan 8.150 nan 0.000 0.451 175 G N -0.731 107.691 108.800 -0.630 0.000 2.402 175 G HA2 -0.061 3.900 3.960 0.001 0.000 0.216 175 G HA3 -0.061 3.900 3.960 0.001 0.000 0.216 175 G C 1.540 175.965 174.900 -0.793 0.000 1.162 175 G CA 0.948 45.220 45.100 -1.380 0.000 0.777 175 G HN 0.446 nan 8.290 nan 0.000 0.539 176 L N 0.240 121.224 121.223 -0.398 0.000 2.156 176 L HA 0.006 4.346 4.340 0.001 0.000 0.208 176 L C 2.910 179.782 176.870 0.004 0.000 1.095 176 L CA 0.107 54.905 54.840 -0.071 0.000 0.770 176 L CB -0.265 41.819 42.059 0.040 0.000 0.914 176 L HN 0.053 nan 8.230 nan 0.000 0.439 177 V N 0.250 120.188 119.914 0.039 0.000 2.407 177 V HA -0.217 3.904 4.120 0.001 0.000 0.248 177 V C 2.561 178.651 176.094 -0.006 0.000 1.055 177 V CA 1.998 64.388 62.300 0.149 0.000 1.049 177 V CB -1.148 30.867 31.823 0.322 0.000 0.662 177 V HN 0.572 nan 8.190 nan 0.000 0.455 178 G N -0.407 108.261 108.800 -0.219 0.000 2.414 178 G HA2 -0.192 3.769 3.960 0.001 0.000 0.215 178 G HA3 -0.192 3.769 3.960 0.001 0.000 0.215 178 G C 1.817 176.500 174.900 -0.361 0.000 1.188 178 G CA 0.970 45.641 45.100 -0.714 0.000 0.783 178 G HN 0.590 nan 8.290 nan 0.000 0.537 179 A N 0.031 122.766 122.820 -0.143 0.000 1.917 179 A HA -0.165 4.156 4.320 0.001 0.000 0.219 179 A C 2.255 179.839 177.584 -0.000 0.000 1.182 179 A CA 1.997 54.020 52.037 -0.022 0.000 0.633 179 A CB -0.795 18.263 19.000 0.096 0.000 0.819 179 A HN 0.503 nan 8.150 nan 0.000 0.448 180 Y N 0.224 120.475 120.300 -0.082 0.000 2.181 180 Y HA 0.019 4.570 4.550 0.000 0.000 0.288 180 Y C 1.051 176.909 175.900 -0.070 0.000 1.146 180 Y CA 0.850 58.920 58.100 -0.049 0.000 1.164 180 Y CB -0.277 38.175 38.460 -0.012 0.000 0.982 180 Y HN 0.228 nan 8.280 nan 0.000 0.515 196 H N 0.143 119.179 119.070 -0.055 0.000 2.512 196 H HA 0.158 4.715 4.556 0.001 0.000 0.279 196 H C -0.244 175.059 175.328 -0.041 0.000 0.999 196 H CA 0.739 56.761 56.048 -0.043 0.000 1.283 196 H CB 0.645 30.385 29.762 -0.037 0.000 1.421 196 H HN 0.215 nan 8.280 nan 0.000 0.554 197 N N 0.784 119.076 118.700 -0.680 0.000 2.675 197 N HA 0.124 4.865 4.740 0.001 0.000 0.254 197 N C 0.406 175.746 175.510 -0.284 0.000 1.224 197 N CA -0.279 52.499 53.050 -0.453 0.000 0.777 197 N CB 0.613 38.766 38.487 -0.557 0.000 1.256 197 N HN 0.183 nan 8.380 nan 0.000 0.531 198 L N 2.140 123.257 121.223 -0.178 0.000 2.093 198 L HA 0.078 4.419 4.340 0.001 0.000 0.208 198 L C -0.724 176.109 176.870 -0.061 0.000 1.085 198 L CA 0.996 55.760 54.840 -0.127 0.000 0.755 198 L CB -0.878 41.121 42.059 -0.100 0.000 0.904 198 L HN 0.354 nan 8.230 nan 0.000 0.435 199 P HA -0.247 nan 4.420 nan 0.000 0.216 199 P C 1.806 179.143 177.300 0.062 0.000 1.150 199 P CA 1.651 64.763 63.100 0.021 0.000 0.843 199 P CB -0.001 31.692 31.700 -0.012 0.000 0.787 200 M N -1.085 118.497 119.600 -0.030 0.000 2.200 200 M HA -0.109 4.372 4.480 0.001 0.000 0.265 200 M C 1.608 177.875 176.300 -0.055 0.000 1.066 200 M CA 1.616 56.890 55.300 -0.043 0.000 1.127 200 M CB -0.342 32.201 32.600 -0.094 0.000 1.379 200 M HN -0.238 nan 8.290 nan 0.000 0.420 201 V N 0.657 120.507 119.914 -0.107 0.000 2.343 201 V HA -0.286 3.835 4.120 0.001 0.000 0.247 201 V C 2.179 178.280 176.094 0.011 0.000 1.051 201 V CA 2.131 64.337 62.300 -0.156 0.000 1.036 201 V CB -1.090 30.563 31.823 -0.284 0.000 0.654 201 V HN 0.617 nan 8.190 nan 0.000 0.451 202 F N 1.617 121.517 119.950 -0.083 0.000 2.134 202 F HA -0.216 4.311 4.527 0.001 0.000 0.299 202 F C 2.396 178.185 175.800 -0.020 0.000 1.097 202 F CA 2.296 60.268 58.000 -0.046 0.000 1.264 202 F CB -0.707 38.257 39.000 -0.060 0.000 1.001 202 F HN 0.125 nan 8.300 nan 0.000 0.479 203 T N -0.016 114.480 114.554 -0.096 0.000 2.720 203 T HA -0.131 4.220 4.350 0.001 0.000 0.268 203 T C 2.133 176.705 174.700 -0.213 0.000 1.037 203 T CA 1.499 63.482 62.100 -0.196 0.000 1.144 203 T CB -1.206 67.648 68.868 -0.023 0.000 0.864 203 T HN 0.483 nan 8.240 nan 0.000 0.444 204 G N 0.888 109.624 108.800 -0.106 0.000 2.421 204 G HA2 -0.153 3.808 3.960 0.001 0.000 0.217 204 G HA3 -0.153 3.808 3.960 0.001 0.000 0.217 204 G C 1.696 176.531 174.900 -0.109 0.000 1.143 204 G CA 1.217 46.267 45.100 -0.084 0.000 0.784 204 G HN 0.453 nan 8.290 nan 0.000 0.541 205 T N 1.810 116.331 114.554 -0.055 0.000 2.708 205 T HA 0.004 4.354 4.350 0.001 0.000 0.266 205 T C 2.840 177.419 174.700 -0.201 0.000 1.037 205 T CA 1.463 63.488 62.100 -0.125 0.000 1.146 205 T CB -0.397 68.426 68.868 -0.075 0.000 0.865 205 T HN 0.354 nan 8.240 nan 0.000 0.435 206 A N 1.355 123.958 122.820 -0.363 0.000 1.865 206 A HA -0.090 4.231 4.320 0.001 0.000 0.217 206 A C 2.297 179.811 177.584 -0.117 0.000 1.191 206 A CA 1.559 53.420 52.037 -0.292 0.000 0.623 206 A CB -0.929 17.755 19.000 -0.526 0.000 0.826 206 A HN 0.515 nan 8.150 nan 0.000 0.444 207 I N -0.440 119.988 120.570 -0.238 0.000 2.286 207 I HA -0.255 3.916 4.170 0.001 0.000 0.248 207 I C 2.354 178.276 176.117 -0.325 0.000 1.115 207 I CA 1.002 62.062 61.300 -0.400 0.000 1.392 207 I CB -0.283 37.300 38.000 -0.695 0.000 1.065 207 I HN 0.290 nan 8.210 nan 0.000 0.418 208 L N -0.738 120.352 121.223 -0.222 0.000 2.046 208 L HA -0.254 4.087 4.340 0.001 0.000 0.208 208 L C 2.641 179.555 176.870 0.073 0.000 1.077 208 L CA 1.428 56.190 54.840 -0.129 0.000 0.747 208 L CB -0.738 41.248 42.059 -0.121 0.000 0.896 208 L HN 0.264 nan 8.230 nan 0.000 0.432 209 Y N 0.734 121.000 120.300 -0.055 0.000 2.089 209 Y HA -0.276 4.275 4.550 0.001 0.000 0.282 209 Y C 2.468 178.405 175.900 0.062 0.000 1.139 209 Y CA 1.530 59.598 58.100 -0.054 0.000 1.123 209 Y CB -0.128 38.279 38.460 -0.089 0.000 0.980 209 Y HN -0.055 nan 8.280 nan 0.000 0.493 210 I N 0.689 121.292 120.570 0.057 0.000 2.127 210 I HA -0.251 3.920 4.170 0.001 0.000 0.241 210 I C 2.761 179.009 176.117 0.219 0.000 1.075 210 I CA 1.708 63.114 61.300 0.177 0.000 1.334 210 I CB -2.165 35.989 38.000 0.257 0.000 1.040 210 I HN 0.432 nan 8.210 nan 0.000 0.405 211 G N -0.297 108.588 108.800 0.142 0.000 2.450 211 G HA2 -0.277 3.684 3.960 0.001 0.000 0.220 211 G HA3 -0.277 3.684 3.960 0.001 0.000 0.220 211 G C 1.537 176.465 174.900 0.047 0.000 1.130 211 G CA 0.190 45.368 45.100 0.129 0.000 0.760 211 G HN 0.399 nan 8.290 nan 0.000 0.557 212 W N 0.637 121.786 121.300 -0.252 0.000 2.525 212 W HA 0.073 4.733 4.660 0.001 0.000 0.259 212 W C 1.663 177.953 176.519 -0.382 0.000 1.253 212 W CA 0.220 57.334 57.345 -0.384 0.000 1.262 212 W CB -0.364 28.750 29.460 -0.575 0.000 1.122 212 W HN 0.275 nan 8.180 nan 0.000 0.607 213 F N -0.061 119.888 119.950 -0.002 0.000 2.259 213 F HA -0.034 4.494 4.527 0.002 0.000 0.298 213 F C 2.626 178.489 175.800 0.104 0.000 1.088 213 F CA 1.638 59.572 58.000 -0.110 0.000 1.358 213 F CB -1.227 37.525 39.000 -0.413 0.000 1.040 213 F HN -0.186 nan 8.300 nan 0.000 0.505 214 G N -0.888 108.075 108.800 0.271 0.000 2.421 214 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 214 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 214 G C 1.581 176.686 174.900 0.340 0.000 1.143 214 G CA 0.333 45.566 45.100 0.221 0.000 0.784 214 G HN 0.318 nan 8.290 nan 0.000 0.541 215 F N 2.126 122.122 119.950 0.076 0.000 2.051 215 F HA -0.070 4.457 4.527 0.001 0.000 0.296 215 F C 2.427 178.431 175.800 0.341 0.000 1.122 215 F CA 1.871 59.876 58.000 0.007 0.000 1.201 215 F CB -0.127 38.562 39.000 -0.517 0.000 0.978 215 F HN 0.043 nan 8.300 nan 0.000 0.472 216 N N 0.617 119.709 118.700 0.654 0.000 2.092 216 N HA -0.065 4.676 4.740 0.001 0.000 0.189 216 N C 1.970 177.789 175.510 0.515 0.000 1.040 216 N CA 1.736 55.137 53.050 0.586 0.000 0.845 216 N CB -1.161 37.605 38.487 0.464 0.000 1.017 216 N HN 0.368 nan 8.380 nan 0.000 0.426 217 A N 0.378 123.473 122.820 0.458 0.000 1.933 217 A HA -0.010 4.311 4.320 0.001 0.000 0.218 217 A C 2.249 180.119 177.584 0.478 0.000 1.175 217 A CA 1.931 54.292 52.037 0.540 0.000 0.628 217 A CB -1.200 18.234 19.000 0.723 0.000 0.814 217 A HN 0.381 nan 8.150 nan 0.000 0.444 218 G N -1.147 107.819 108.800 0.277 0.000 2.509 218 G HA2 -0.019 3.941 3.960 0.001 0.000 0.218 218 G HA3 -0.019 3.941 3.960 0.001 0.000 0.218 218 G C 1.507 176.328 174.900 -0.133 0.000 1.124 218 G CA 1.009 46.071 45.100 -0.064 0.000 0.776 218 G HN 0.473 nan 8.290 nan 0.000 0.547 219 S N 0.677 116.455 115.700 0.130 0.000 2.547 219 S HA 0.108 4.579 4.470 0.001 0.000 0.235 219 S C 2.502 176.861 174.600 -0.402 0.000 0.980 219 S CA 0.659 58.736 58.200 -0.205 0.000 0.941 219 S CB -0.027 62.969 63.200 -0.341 0.000 0.763 219 S HN 0.561 nan 8.310 nan 0.000 0.532 220 A N 0.767 123.600 122.820 0.023 0.000 2.066 220 A HA 0.389 4.710 4.320 0.001 0.000 0.218 220 A C 1.930 179.502 177.584 -0.019 0.000 1.157 220 A CA 1.048 53.161 52.037 0.126 0.000 0.670 220 A CB -0.860 18.325 19.000 0.308 0.000 0.804 220 A HN 0.866 nan 8.150 nan 0.000 0.453 221 G N -2.238 106.497 108.800 -0.107 0.000 2.162 221 G HA2 -0.147 3.814 3.960 0.001 0.000 0.260 221 G HA3 -0.147 3.814 3.960 0.001 0.000 0.260 221 G C 0.411 175.292 174.900 -0.031 0.000 0.976 221 G CA 1.218 46.227 45.100 -0.151 0.000 0.655 221 G HN 1.710 nan 8.290 nan 0.000 0.533 222 T N -2.044 112.559 114.554 0.081 0.000 2.893 222 T HA 0.659 5.010 4.350 0.001 0.000 0.337 222 T C -0.290 174.379 174.700 -0.051 0.000 1.587 222 T CA 0.604 62.734 62.100 0.050 0.000 1.066 222 T CB 0.943 69.802 68.868 -0.014 0.000 1.414 222 T HN 1.731 nan 8.240 nan 0.000 0.488 223 A N 4.042 126.688 122.820 -0.290 0.000 3.091 223 A HA 0.497 4.818 4.320 0.001 0.000 0.264 223 A C 0.581 177.961 177.584 -0.339 0.000 1.673 223 A CA -0.421 51.197 52.037 -0.698 0.000 1.362 223 A CB -1.240 17.249 19.000 -0.852 0.000 1.137 223 A HN 0.791 nan 8.150 nan 0.000 0.617 224 N N -0.393 118.191 118.700 -0.193 0.000 2.938 224 N HA 0.155 4.896 4.740 0.001 0.000 0.335 224 N C 0.926 176.390 175.510 -0.076 0.000 1.358 224 N CA -0.123 52.862 53.050 -0.109 0.000 0.812 224 N CB 0.131 38.587 38.487 -0.051 0.000 1.233 224 N HN 0.187 nan 8.380 nan 0.000 0.593 225 E N -0.105 120.070 120.200 -0.041 0.000 2.268 225 E HA -0.102 4.249 4.350 0.001 0.000 0.195 225 E C 1.397 177.996 176.600 -0.001 0.000 0.995 225 E CA 0.822 57.207 56.400 -0.025 0.000 0.836 225 E CB -0.273 29.416 29.700 -0.019 0.000 0.763 225 E HN 0.572 nan 8.360 nan 0.000 0.491 226 I N 1.896 122.477 120.570 0.018 0.000 2.286 226 I HA -0.091 4.080 4.170 0.001 0.000 0.245 226 I C 2.703 178.870 176.117 0.082 0.000 1.104 226 I CA 1.059 62.378 61.300 0.030 0.000 1.397 226 I CB -1.601 36.447 38.000 0.080 0.000 1.072 226 I HN 0.126 nan 8.210 nan 0.000 0.417 227 A N 1.408 124.309 122.820 0.135 0.000 1.892 227 A HA -0.219 4.102 4.320 0.001 0.000 0.218 227 A C 2.608 180.319 177.584 0.211 0.000 1.188 227 A CA 2.531 54.705 52.037 0.229 0.000 0.631 227 A CB -0.947 18.135 19.000 0.137 0.000 0.822 227 A HN 0.422 nan 8.150 nan 0.000 0.447 228 A N -0.666 122.203 122.820 0.082 0.000 1.883 228 A HA -0.091 4.230 4.320 0.001 0.000 0.217 228 A C 2.198 179.859 177.584 0.128 0.000 1.186 228 A CA 1.881 53.958 52.037 0.067 0.000 0.624 228 A CB -0.671 18.315 19.000 -0.023 0.000 0.822 228 A HN 0.838 nan 8.150 nan 0.000 0.444 229 L N -0.510 120.756 121.223 0.071 0.000 2.056 229 L HA -0.002 4.339 4.340 0.001 0.000 0.207 229 L C 2.643 179.550 176.870 0.061 0.000 1.078 229 L CA 2.129 56.995 54.840 0.044 0.000 0.749 229 L CB -0.612 41.434 42.059 -0.022 0.000 0.901 229 L HN 0.326 nan 8.230 nan 0.000 0.433 230 A N -0.930 121.924 122.820 0.057 0.000 1.902 230 A HA -0.228 4.092 4.320 0.001 0.000 0.217 230 A C 2.221 179.934 177.584 0.216 0.000 1.181 230 A CA 1.720 53.798 52.037 0.068 0.000 0.623 230 A CB -1.152 17.925 19.000 0.129 0.000 0.818 230 A HN 0.504 nan 8.150 nan 0.000 0.443 231 F N 0.561 120.631 119.950 0.199 0.000 2.043 231 F HA -0.221 4.306 4.527 0.001 0.000 0.297 231 F C 2.432 178.382 175.800 0.251 0.000 1.121 231 F CA 2.280 60.459 58.000 0.299 0.000 1.199 231 F CB -0.419 38.716 39.000 0.225 0.000 0.968 231 F HN 0.043 nan 8.300 nan 0.000 0.478 232 V N 0.503 120.682 119.914 0.442 0.000 2.343 232 V HA -0.317 3.804 4.120 0.001 0.000 0.247 232 V C 2.121 178.326 176.094 0.185 0.000 1.051 232 V CA 2.070 64.552 62.300 0.304 0.000 1.036 232 V CB -0.796 31.134 31.823 0.179 0.000 0.654 232 V HN 0.357 nan 8.190 nan 0.000 0.451 233 N N 0.092 118.863 118.700 0.119 0.000 2.223 233 N HA -0.139 4.602 4.740 0.001 0.000 0.185 233 N C 1.878 177.400 175.510 0.020 0.000 1.016 233 N CA 1.861 54.938 53.050 0.046 0.000 0.863 233 N CB -0.571 37.920 38.487 0.007 0.000 0.983 233 N HN 0.469 nan 8.380 nan 0.000 0.429 234 T N 0.565 115.131 114.554 0.021 0.000 2.746 234 T HA -0.041 4.310 4.350 0.001 0.000 0.267 234 T C 2.145 176.835 174.700 -0.018 0.000 1.039 234 T CA 0.771 62.799 62.100 -0.119 0.000 1.142 234 T CB -0.271 68.385 68.868 -0.353 0.000 0.866 234 T HN -0.017 nan 8.240 nan 0.000 0.444 235 V N 1.062 121.088 119.914 0.188 0.000 2.358 235 V HA -0.122 3.998 4.120 0.001 0.000 0.246 235 V C 2.616 178.803 176.094 0.154 0.000 1.047 235 V CA 1.286 63.764 62.300 0.298 0.000 1.035 235 V CB -0.525 31.493 31.823 0.325 0.000 0.658 235 V HN 0.313 nan 8.190 nan 0.000 0.452 236 V N 0.029 119.999 119.914 0.092 0.000 2.323 236 V HA -0.147 3.973 4.120 0.001 0.000 0.244 236 V C 2.655 178.744 176.094 -0.007 0.000 1.041 236 V CA 1.822 64.145 62.300 0.038 0.000 1.025 236 V CB -0.979 30.858 31.823 0.024 0.000 0.656 236 V HN 0.531 nan 8.190 nan 0.000 0.451 237 A N 0.119 122.919 122.820 -0.034 0.000 1.877 237 A HA -0.212 4.109 4.320 0.001 0.000 0.216 237 A C 2.400 179.932 177.584 -0.086 0.000 1.186 237 A CA 2.484 54.478 52.037 -0.071 0.000 0.620 237 A CB -1.089 17.854 19.000 -0.094 0.000 0.822 237 A HN 0.504 nan 8.150 nan 0.000 0.443 238 T N 0.651 115.145 114.554 -0.100 0.000 2.665 238 T HA -0.125 4.225 4.350 0.001 0.000 0.268 238 T C 2.181 176.824 174.700 -0.094 0.000 1.035 238 T CA 1.861 63.886 62.100 -0.126 0.000 1.151 238 T CB -0.548 68.273 68.868 -0.079 0.000 0.862 238 T HN 0.616 nan 8.240 nan 0.000 0.438 239 A N 1.428 124.220 122.820 -0.046 0.000 1.902 239 A HA 0.197 4.518 4.320 0.001 0.000 0.217 239 A C 2.664 180.231 177.584 -0.029 0.000 1.181 239 A CA 1.803 53.817 52.037 -0.039 0.000 0.623 239 A CB -1.103 17.895 19.000 -0.003 0.000 0.818 239 A HN 0.528 nan 8.150 nan 0.000 0.443 240 A N -0.368 122.436 122.820 -0.027 0.000 1.930 240 A HA 0.247 4.567 4.320 0.001 0.000 0.217 240 A C 2.445 180.030 177.584 0.002 0.000 1.175 240 A CA 1.844 53.868 52.037 -0.021 0.000 0.627 240 A CB -0.820 18.157 19.000 -0.037 0.000 0.815 240 A HN 0.958 nan 8.150 nan 0.000 0.443 241 A N 0.031 122.848 122.820 -0.004 0.000 1.897 241 A HA -0.003 4.318 4.320 0.001 0.000 0.215 241 A C 2.075 179.717 177.584 0.097 0.000 1.181 241 A CA 1.283 53.347 52.037 0.045 0.000 0.620 241 A CB -0.583 18.418 19.000 0.001 0.000 0.821 241 A HN 0.455 nan 8.150 nan 0.000 0.443 242 I N 0.015 120.597 120.570 0.021 0.000 2.087 242 I HA -0.338 3.833 4.170 0.001 0.000 0.240 242 I C 2.390 178.567 176.117 0.100 0.000 1.054 242 I CA 1.646 62.962 61.300 0.026 0.000 1.311 242 I CB -0.412 37.561 38.000 -0.045 0.000 1.024 242 I HN 0.310 nan 8.210 nan 0.000 0.402 243 L N 0.105 121.370 121.223 0.071 0.000 2.083 243 L HA -0.144 4.197 4.340 0.001 0.000 0.209 243 L C 2.636 179.605 176.870 0.165 0.000 1.083 243 L CA 1.482 56.378 54.840 0.094 0.000 0.752 243 L CB -1.215 40.864 42.059 0.033 0.000 0.899 243 L HN 0.359 nan 8.230 nan 0.000 0.433 244 G N -0.808 108.083 108.800 0.152 0.000 2.402 244 G HA2 -0.261 3.699 3.960 0.001 0.000 0.216 244 G HA3 -0.261 3.699 3.960 0.001 0.000 0.216 244 G C 1.357 176.423 174.900 0.277 0.000 1.162 244 G CA 0.112 45.318 45.100 0.176 0.000 0.777 244 G HN 0.377 nan 8.290 nan 0.000 0.539 245 W N 1.245 122.606 121.300 0.102 0.000 2.353 245 W HA -0.077 4.584 4.660 0.001 0.000 0.319 245 W C 2.189 178.782 176.519 0.124 0.000 1.207 245 W CA 0.804 58.210 57.345 0.102 0.000 1.291 245 W CB -0.524 28.970 29.460 0.057 0.000 1.159 245 W HN 0.088 nan 8.180 nan 0.000 0.478 246 I N 0.604 121.457 120.570 0.471 0.000 2.194 246 I HA -0.316 3.855 4.170 0.001 0.000 0.246 246 I C 2.481 178.783 176.117 0.309 0.000 1.093 246 I CA 1.553 63.055 61.300 0.336 0.000 1.355 246 I CB -1.938 36.188 38.000 0.210 0.000 1.046 246 I HN -0.061 nan 8.210 nan 0.000 0.413 247 F N 1.649 121.703 119.950 0.173 0.000 2.171 247 F HA -0.101 4.427 4.527 0.001 0.000 0.300 247 F C 2.359 178.310 175.800 0.253 0.000 1.090 247 F CA 1.695 59.800 58.000 0.175 0.000 1.293 247 F CB -0.566 38.486 39.000 0.087 0.000 1.013 247 F HN 0.046 nan 8.300 nan 0.000 0.486 248 G N -0.711 108.217 108.800 0.213 0.000 2.421 248 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 248 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 248 G C 1.535 176.416 174.900 -0.032 0.000 1.143 248 G CA 0.598 45.726 45.100 0.048 0.000 0.784 248 G HN 0.459 nan 8.290 nan 0.000 0.541 249 E N -0.637 119.599 120.200 0.060 0.000 2.106 249 E HA -0.137 4.214 4.350 0.001 0.000 0.192 249 E C 2.000 178.628 176.600 0.047 0.000 0.984 249 E CA 0.750 57.197 56.400 0.080 0.000 0.806 249 E CB -0.228 29.611 29.700 0.232 0.000 0.750 249 E HN 0.601 nan 8.360 nan 0.000 0.458 250 W N 0.937 122.164 121.300 -0.121 0.000 2.381 250 W HA -0.111 4.550 4.660 0.001 0.000 0.301 250 W C 2.044 178.422 176.519 -0.236 0.000 1.205 250 W CA 2.040 59.289 57.345 -0.160 0.000 1.285 250 W CB -0.324 29.029 29.460 -0.177 0.000 1.133 250 W HN 0.101 nan 8.180 nan 0.000 0.521 251 A N 0.281 122.921 122.820 -0.300 0.000 1.898 251 A HA -0.097 4.224 4.320 0.001 0.000 0.216 251 A C 2.039 179.384 177.584 -0.399 0.000 1.181 251 A CA 1.796 53.515 52.037 -0.530 0.000 0.620 251 A CB -0.862 17.907 19.000 -0.387 0.000 0.819 251 A HN 0.400 nan 8.150 nan 0.000 0.442 252 L N -2.239 118.839 121.223 -0.241 0.000 2.202 252 L HA 0.093 4.434 4.340 0.001 0.000 0.205 252 L C 2.371 179.139 176.870 -0.170 0.000 1.083 252 L CA 0.848 55.584 54.840 -0.172 0.000 0.790 252 L CB -0.119 41.877 42.059 -0.106 0.000 0.942 252 L HN 0.188 nan 8.230 nan 0.000 0.452 253 R N -0.708 119.696 120.500 -0.160 0.000 2.437 253 R HA 0.256 4.596 4.340 0.001 0.000 0.257 253 R C 1.180 177.388 176.300 -0.153 0.000 0.927 253 R CA 0.583 56.613 56.100 -0.117 0.000 1.078 253 R CB 0.954 31.228 30.300 -0.043 0.000 1.161 253 R HN 0.320 nan 8.270 nan 0.000 0.529 254 G N 1.642 110.272 108.800 -0.283 0.000 2.268 254 G HA2 -0.333 3.628 3.960 0.001 0.000 0.240 254 G HA3 -0.333 3.628 3.960 0.001 0.000 0.240 254 G C -0.042 174.729 174.900 -0.215 0.000 1.010 254 G CA 0.541 45.441 45.100 -0.333 0.000 0.618 254 G HN 0.371 nan 8.290 nan 0.000 0.516 255 K N -0.533 119.837 120.400 -0.049 0.000 2.610 255 K HA 0.587 4.908 4.320 0.001 0.000 0.278 255 K C -3.583 173.097 176.600 0.133 0.000 0.964 255 K CA -1.667 54.689 56.287 0.116 0.000 0.859 255 K CB 2.186 34.728 32.500 0.071 0.000 1.434 255 K HN 0.030 nan 8.250 nan 0.000 0.410 256 P HA 0.154 nan 4.420 nan 0.000 0.274 256 P C -0.949 176.401 177.300 0.083 0.000 1.246 256 P CA -0.370 62.814 63.100 0.140 0.000 0.795 256 P CB 0.962 32.735 31.700 0.121 0.000 1.006 257 S N 0.129 115.872 115.700 0.071 0.000 2.627 257 S HA 0.356 4.826 4.470 0.001 0.000 0.283 257 S C 0.444 175.040 174.600 -0.007 0.000 1.127 257 S CA -0.634 57.582 58.200 0.028 0.000 0.863 257 S CB 0.876 64.098 63.200 0.036 0.000 1.121 257 S HN 0.240 nan 8.310 nan 0.000 0.479 258 L N 1.177 122.379 121.223 -0.035 0.000 2.027 258 L HA 0.161 4.502 4.340 0.001 0.000 0.206 258 L C 2.075 178.907 176.870 -0.064 0.000 1.074 258 L CA 1.759 56.564 54.840 -0.058 0.000 0.745 258 L CB -1.152 40.860 42.059 -0.080 0.000 0.898 258 L HN 0.848 nan 8.230 nan 0.000 0.433 259 L N -0.121 121.061 121.223 -0.070 0.000 2.083 259 L HA -0.005 4.335 4.340 0.001 0.000 0.209 259 L C 2.299 179.055 176.870 -0.190 0.000 1.083 259 L CA 1.955 56.732 54.840 -0.106 0.000 0.752 259 L CB -1.369 40.641 42.059 -0.083 0.000 0.899 259 L HN 0.329 nan 8.230 nan 0.000 0.433 260 G N -0.995 107.726 108.800 -0.131 0.000 2.459 260 G HA2 -0.299 3.662 3.960 0.001 0.000 0.217 260 G HA3 -0.299 3.662 3.960 0.001 0.000 0.217 260 G C 1.628 176.225 174.900 -0.505 0.000 1.183 260 G CA 0.963 45.919 45.100 -0.241 0.000 0.776 260 G HN 0.625 nan 8.290 nan 0.000 0.552 261 A N 0.087 122.781 122.820 -0.209 0.000 1.865 261 A HA -0.150 4.170 4.320 0.001 0.000 0.217 261 A C 2.631 180.074 177.584 -0.235 0.000 1.191 261 A CA 2.035 53.972 52.037 -0.166 0.000 0.623 261 A CB -1.149 17.814 19.000 -0.061 0.000 0.826 261 A HN 0.457 nan 8.150 nan 0.000 0.444 262 C N -0.682 118.508 119.300 -0.185 0.000 2.429 262 C HA -0.060 4.401 4.460 0.001 0.000 0.277 262 C C 3.265 178.088 174.990 -0.277 0.000 1.262 262 C CA 1.239 60.172 59.018 -0.141 0.000 1.733 262 C CB -1.363 26.376 27.740 -0.003 0.000 2.010 262 C HN 0.631 nan 8.230 nan 0.000 0.483 263 S N 0.839 116.238 115.700 -0.502 0.000 2.368 263 S HA -0.080 4.390 4.470 0.001 0.000 0.225 263 S C 2.103 176.167 174.600 -0.894 0.000 1.030 263 S CA 1.569 59.296 58.200 -0.788 0.000 0.999 263 S CB -0.756 61.641 63.200 -1.339 0.000 0.844 263 S HN 0.768 nan 8.310 nan 0.000 0.459 264 G N 1.531 109.772 108.800 -0.932 0.000 2.421 264 G HA2 -0.086 3.875 3.960 0.001 0.000 0.216 264 G HA3 -0.086 3.875 3.960 0.001 0.000 0.216 264 G C 1.598 176.383 174.900 -0.192 0.000 1.171 264 G CA 0.951 45.884 45.100 -0.278 0.000 0.775 264 G HN 0.582 nan 8.290 nan 0.000 0.543 265 A N 1.073 123.739 122.820 -0.257 0.000 1.892 265 A HA -0.062 4.258 4.320 0.001 0.000 0.218 265 A C 2.352 179.740 177.584 -0.326 0.000 1.188 265 A CA 1.655 53.532 52.037 -0.267 0.000 0.631 265 A CB -0.346 18.487 19.000 -0.278 0.000 0.822 265 A HN 0.299 nan 8.150 nan 0.000 0.447 266 I N -0.146 120.223 120.570 -0.335 0.000 2.286 266 I HA -0.228 3.943 4.170 0.001 0.000 0.248 266 I C 2.947 178.838 176.117 -0.376 0.000 1.115 266 I CA 1.347 62.410 61.300 -0.395 0.000 1.392 266 I CB -1.716 36.080 38.000 -0.340 0.000 1.065 266 I HN 0.377 nan 8.210 nan 0.000 0.418 267 A N 1.318 124.012 122.820 -0.209 0.000 1.865 267 A HA -0.157 4.164 4.320 0.001 0.000 0.217 267 A C 2.528 180.037 177.584 -0.124 0.000 1.191 267 A CA 2.166 54.166 52.037 -0.062 0.000 0.623 267 A CB -1.418 17.705 19.000 0.206 0.000 0.826 267 A HN 0.423 nan 8.150 nan 0.000 0.444 268 G N -0.621 108.085 108.800 -0.157 0.000 2.408 268 G HA2 -0.095 3.865 3.960 0.001 0.000 0.217 268 G HA3 -0.095 3.865 3.960 0.001 0.000 0.217 268 G C 1.575 176.276 174.900 -0.332 0.000 1.150 268 G CA 0.985 45.977 45.100 -0.181 0.000 0.776 268 G HN 0.423 nan 8.290 nan 0.000 0.542 269 L N 0.073 120.947 121.223 -0.583 0.000 1.988 269 L HA -0.077 4.264 4.340 0.001 0.000 0.207 269 L C 3.022 179.415 176.870 -0.795 0.000 1.071 269 L CA 0.604 54.782 54.840 -1.102 0.000 0.744 269 L CB -0.630 40.202 42.059 -2.044 0.000 0.893 269 L HN 0.074 nan 8.230 nan 0.000 0.433 270 V N 0.332 119.924 119.914 -0.537 0.000 2.282 270 V HA -0.286 3.835 4.120 0.001 0.000 0.249 270 V C 2.579 178.681 176.094 0.013 0.000 1.057 270 V CA 2.205 64.460 62.300 -0.075 0.000 1.032 270 V CB -1.383 30.358 31.823 -0.136 0.000 0.645 270 V HN 0.620 nan 8.190 nan 0.000 0.447 271 G N -1.306 107.463 108.800 -0.052 0.000 2.432 271 G HA2 -0.189 3.772 3.960 0.001 0.000 0.219 271 G HA3 -0.189 3.772 3.960 0.001 0.000 0.219 271 G C 1.635 176.560 174.900 0.042 0.000 1.135 271 G CA 1.084 46.197 45.100 0.021 0.000 0.767 271 G HN 0.410 nan 8.290 nan 0.000 0.550 272 V N 0.403 120.305 119.914 -0.020 0.000 3.406 272 V HA 0.004 4.125 4.120 0.001 0.000 0.263 272 V C 2.808 178.990 176.094 0.146 0.000 1.172 272 V CA 1.858 64.171 62.300 0.023 0.000 1.140 272 V CB -0.377 31.410 31.823 -0.060 0.000 0.784 272 V HN 0.357 nan 8.190 nan 0.000 0.467 273 T N 2.155 116.843 114.554 0.223 0.000 2.597 273 T HA -0.130 4.221 4.350 0.001 0.000 0.267 273 T C -0.232 174.761 174.700 0.487 0.000 1.053 273 T CA 2.374 64.756 62.100 0.470 0.000 1.165 273 T CB -1.242 68.004 68.868 0.629 0.000 0.863 273 T HN 0.539 nan 8.240 nan 0.000 0.427 274 P HA 0.120 nan 4.420 nan 0.000 0.226 274 P C 0.772 178.356 177.300 0.473 0.000 1.153 274 P CA 1.037 64.408 63.100 0.452 0.000 0.777 274 P CB -0.035 31.878 31.700 0.354 0.000 0.794 275 A N -0.379 122.649 122.820 0.345 0.000 2.167 275 A HA 0.025 4.346 4.320 0.001 0.000 0.208 275 A C 2.353 180.002 177.584 0.108 0.000 1.198 275 A CA 0.620 52.831 52.037 0.291 0.000 0.863 275 A CB -1.497 17.632 19.000 0.215 0.000 0.904 275 A HN 0.366 nan 8.150 nan 0.000 0.484 276 C N -1.061 118.270 119.300 0.053 0.000 2.391 276 C HA -0.025 4.436 4.460 0.001 0.000 0.276 276 C C 2.468 177.201 174.990 -0.429 0.000 1.217 276 C CA 0.915 59.877 59.018 -0.093 0.000 1.766 276 C CB -1.746 26.017 27.740 0.038 0.000 2.046 276 C HN 0.514 nan 8.230 nan 0.000 0.475 277 G N -2.111 105.972 108.800 -1.195 0.000 2.920 277 G HA2 0.216 4.176 3.960 0.001 0.000 0.208 277 G HA3 0.216 4.176 3.960 0.001 0.000 0.208 277 G C 0.946 175.286 174.900 -0.932 0.000 1.159 277 G CA 0.430 44.464 45.100 -1.777 0.000 0.784 277 G HN 0.659 nan 8.290 nan 0.000 0.535 278 Y N -0.058 120.078 120.300 -0.274 0.000 2.483 278 Y HA 0.368 4.918 4.550 0.001 0.000 0.258 278 Y C 1.291 177.161 175.900 -0.050 0.000 1.083 278 Y CA -1.541 56.511 58.100 -0.081 0.000 1.283 278 Y CB 0.228 38.705 38.460 0.029 0.000 1.178 278 Y HN 0.221 nan 8.280 nan 0.000 0.515 279 I N -1.895 118.732 120.570 0.094 0.000 2.947 279 I HA 0.879 5.050 4.170 0.001 0.000 0.314 279 I C 0.604 176.743 176.117 0.037 0.000 1.028 279 I CA -1.232 60.124 61.300 0.092 0.000 1.077 279 I CB 1.418 39.486 38.000 0.115 0.000 1.274 279 I HN -0.007 nan 8.210 nan 0.000 0.485 280 G N 0.918 109.746 108.800 0.048 0.000 2.477 280 G HA2 0.410 4.371 3.960 0.001 0.000 0.304 280 G HA3 0.410 4.371 3.960 0.001 0.000 0.304 280 G C 0.893 175.790 174.900 -0.005 0.000 1.175 280 G CA -0.189 44.925 45.100 0.023 0.000 0.907 280 G HN 0.936 nan 8.290 nan 0.000 0.509 281 V N -0.217 119.694 119.914 -0.004 0.000 2.469 281 V HA -0.061 4.059 4.120 0.001 0.000 0.251 281 V C 2.533 178.601 176.094 -0.044 0.000 1.064 281 V CA 2.334 64.625 62.300 -0.015 0.000 1.066 281 V CB -1.284 30.541 31.823 0.004 0.000 0.667 281 V HN 0.760 nan 8.190 nan 0.000 0.461 282 G N 0.818 109.597 108.800 -0.034 0.000 2.446 282 G HA2 -0.117 3.844 3.960 0.001 0.000 0.217 282 G HA3 -0.117 3.844 3.960 0.001 0.000 0.217 282 G C 1.551 176.354 174.900 -0.160 0.000 1.168 282 G CA 0.965 46.032 45.100 -0.053 0.000 0.771 282 G HN 0.784 nan 8.290 nan 0.000 0.551 283 G N 0.866 109.542 108.800 -0.208 0.000 2.403 283 G HA2 0.124 4.085 3.960 0.001 0.000 0.216 283 G HA3 0.124 4.085 3.960 0.001 0.000 0.216 283 G C 2.049 176.670 174.900 -0.465 0.000 1.154 283 G CA 1.383 46.116 45.100 -0.612 0.000 0.784 283 G HN 0.638 nan 8.290 nan 0.000 0.538 284 A N 0.612 123.304 122.820 -0.212 0.000 1.908 284 A HA -0.015 4.306 4.320 0.001 0.000 0.218 284 A C 2.373 179.869 177.584 -0.147 0.000 1.181 284 A CA 1.572 53.525 52.037 -0.139 0.000 0.627 284 A CB -0.488 18.473 19.000 -0.066 0.000 0.818 284 A HN 0.399 nan 8.150 nan 0.000 0.445 285 L N -0.439 120.699 121.223 -0.142 0.000 1.994 285 L HA -0.160 4.181 4.340 0.001 0.000 0.208 285 L C 2.453 179.235 176.870 -0.146 0.000 1.071 285 L CA 1.697 56.467 54.840 -0.116 0.000 0.745 285 L CB -0.266 41.741 42.059 -0.087 0.000 0.892 285 L HN 0.452 nan 8.230 nan 0.000 0.431 286 I N -0.301 120.134 120.570 -0.226 0.000 2.151 286 I HA -0.378 3.793 4.170 0.001 0.000 0.243 286 I C 2.391 178.391 176.117 -0.196 0.000 1.080 286 I CA 1.701 62.862 61.300 -0.231 0.000 1.339 286 I CB -0.296 37.480 38.000 -0.372 0.000 1.039 286 I HN 0.284 nan 8.210 nan 0.000 0.409 287 I N 0.457 120.872 120.570 -0.259 0.000 2.315 287 I HA -0.195 3.975 4.170 0.001 0.000 0.248 287 I C 2.636 178.710 176.117 -0.072 0.000 1.117 287 I CA 1.453 62.670 61.300 -0.138 0.000 1.404 287 I CB -0.770 37.152 38.000 -0.129 0.000 1.071 287 I HN 0.278 nan 8.210 nan 0.000 0.419 288 G N 0.441 109.190 108.800 -0.085 0.000 2.421 288 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 288 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 288 G C 1.712 176.599 174.900 -0.021 0.000 1.171 288 G CA 0.828 45.895 45.100 -0.055 0.000 0.775 288 G HN 0.218 nan 8.290 nan 0.000 0.543 289 V N 0.461 120.355 119.914 -0.032 0.000 2.261 289 V HA -0.187 3.934 4.120 0.001 0.000 0.246 289 V C 3.081 179.182 176.094 0.012 0.000 1.047 289 V CA 1.661 63.956 62.300 -0.010 0.000 1.015 289 V CB -0.467 31.334 31.823 -0.037 0.000 0.642 289 V HN 0.248 nan 8.190 nan 0.000 0.446 290 V N 0.334 120.247 119.914 -0.001 0.000 2.287 290 V HA -0.306 3.815 4.120 0.001 0.000 0.248 290 V C 2.721 178.835 176.094 0.034 0.000 1.053 290 V CA 2.190 64.497 62.300 0.013 0.000 1.027 290 V CB -1.309 30.523 31.823 0.015 0.000 0.646 290 V HN 0.575 nan 8.190 nan 0.000 0.447 291 A N 0.530 123.373 122.820 0.039 0.000 1.908 291 A HA -0.151 4.170 4.320 0.001 0.000 0.218 291 A C 2.433 180.087 177.584 0.118 0.000 1.181 291 A CA 2.187 54.264 52.037 0.067 0.000 0.627 291 A CB -1.333 17.690 19.000 0.038 0.000 0.818 291 A HN 0.554 nan 8.150 nan 0.000 0.445 292 G N -0.236 108.643 108.800 0.132 0.000 2.421 292 G HA2 -0.164 3.797 3.960 0.001 0.000 0.216 292 G HA3 -0.164 3.797 3.960 0.001 0.000 0.216 292 G C 1.565 176.535 174.900 0.116 0.000 1.171 292 G CA 1.105 46.356 45.100 0.253 0.000 0.775 292 G HN 0.449 nan 8.290 nan 0.000 0.543 293 L N 0.625 121.875 121.223 0.046 0.000 2.056 293 L HA 0.019 4.360 4.340 0.001 0.000 0.207 293 L C 3.409 180.268 176.870 -0.020 0.000 1.078 293 L CA 0.980 55.806 54.840 -0.023 0.000 0.749 293 L CB -0.474 41.600 42.059 0.025 0.000 0.901 293 L HN 0.287 nan 8.230 nan 0.000 0.433 294 A N 0.545 123.389 122.820 0.040 0.000 1.902 294 A HA -0.120 4.201 4.320 0.001 0.000 0.217 294 A C 2.426 180.109 177.584 0.164 0.000 1.181 294 A CA 1.734 53.840 52.037 0.114 0.000 0.623 294 A CB -1.348 17.704 19.000 0.086 0.000 0.818 294 A HN 0.432 nan 8.150 nan 0.000 0.443 295 G N -0.013 108.846 108.800 0.099 0.000 2.491 295 G HA2 -0.225 3.736 3.960 0.001 0.000 0.218 295 G HA3 -0.225 3.736 3.960 0.001 0.000 0.218 295 G C 1.505 176.230 174.900 -0.291 0.000 1.180 295 G CA 1.352 46.532 45.100 0.133 0.000 0.774 295 G HN 0.510 nan 8.290 nan 0.000 0.562 296 L N -0.389 120.267 121.223 -0.946 0.000 2.017 296 L HA 0.009 4.350 4.340 0.001 0.000 0.208 296 L C 2.474 179.114 176.870 -0.385 0.000 1.073 296 L CA 2.012 56.149 54.840 -1.170 0.000 0.745 296 L CB -0.854 40.422 42.059 -1.304 0.000 0.894 296 L HN 0.483 nan 8.230 nan 0.000 0.432 297 W N 0.416 121.531 121.300 -0.308 0.000 2.335 297 W HA -0.136 4.525 4.660 0.001 0.000 0.311 297 W C 2.260 178.727 176.519 -0.087 0.000 1.213 297 W CA 2.589 59.843 57.345 -0.151 0.000 1.274 297 W CB -0.884 28.520 29.460 -0.093 0.000 1.148 297 W HN 0.228 nan 8.180 nan 0.000 0.498 298 G N 0.668 109.465 108.800 -0.005 0.000 2.459 298 G HA2 -0.358 3.603 3.960 0.001 0.000 0.217 298 G HA3 -0.358 3.603 3.960 0.001 0.000 0.217 298 G C 1.493 176.253 174.900 -0.232 0.000 1.183 298 G CA 2.583 47.574 45.100 -0.182 0.000 0.776 298 G HN 0.612 nan 8.290 nan 0.000 0.552 299 V N -1.166 118.695 119.914 -0.088 0.000 2.626 299 V HA -0.091 4.030 4.120 0.001 0.000 0.252 299 V C 2.533 178.566 176.094 -0.103 0.000 1.067 299 V CA 2.533 64.823 62.300 -0.018 0.000 1.081 299 V CB -1.254 30.661 31.823 0.152 0.000 0.686 299 V HN 0.268 nan 8.190 nan 0.000 0.468 300 T N 1.009 115.438 114.554 -0.208 0.000 2.962 300 T HA 0.125 4.476 4.350 0.001 0.000 0.270 300 T C 0.953 175.497 174.700 -0.260 0.000 1.088 300 T CA 1.188 63.160 62.100 -0.214 0.000 1.127 300 T CB -0.282 68.442 68.868 -0.240 0.000 0.883 300 T HN 0.394 nan 8.240 nan 0.000 0.493 312 C N 0.280 119.591 119.300 0.018 0.000 2.522 312 C HA -0.020 4.440 4.460 0.001 0.000 0.271 312 C C 2.084 177.122 174.990 0.080 0.000 1.425 312 C CA 0.814 59.859 59.018 0.045 0.000 1.751 312 C CB -0.902 26.972 27.740 0.224 0.000 1.775 312 C HN 0.397 nan 8.230 nan 0.000 0.557 313 D N 0.990 121.433 120.400 0.072 0.000 2.190 313 D HA -0.126 4.515 4.640 0.001 0.000 0.200 313 D C 2.081 178.458 176.300 0.129 0.000 0.992 313 D CA 1.056 55.122 54.000 0.111 0.000 0.854 313 D CB -0.219 40.646 40.800 0.108 0.000 0.936 313 D HN 0.275 nan 8.370 nan 0.000 0.462 314 V N 0.557 120.494 119.914 0.040 0.000 2.324 314 V HA -0.272 3.849 4.120 0.001 0.000 0.250 314 V C 2.055 178.236 176.094 0.145 0.000 1.060 314 V CA 1.435 63.769 62.300 0.056 0.000 1.042 314 V CB -0.628 31.156 31.823 -0.065 0.000 0.650 314 V HN 0.121 nan 8.190 nan 0.000 0.450 315 F N 1.248 121.344 119.950 0.243 0.000 2.365 315 F HA 0.095 4.624 4.527 0.002 0.000 0.300 315 F C 2.294 178.235 175.800 0.234 0.000 1.090 315 F CA 0.823 58.950 58.000 0.210 0.000 1.408 315 F CB -1.476 37.609 39.000 0.141 0.000 1.060 315 F HN 0.169 nan 8.300 nan 0.000 0.534 316 G N 0.303 109.313 108.800 0.351 0.000 2.414 316 G HA2 -0.165 3.796 3.960 0.001 0.000 0.215 316 G HA3 -0.165 3.796 3.960 0.001 0.000 0.215 316 G C 1.865 176.927 174.900 0.270 0.000 1.188 316 G CA 1.157 46.416 45.100 0.265 0.000 0.783 316 G HN 0.213 nan 8.290 nan 0.000 0.537 317 V N 0.867 120.948 119.914 0.280 0.000 2.233 317 V HA -0.256 3.865 4.120 0.001 0.000 0.247 317 V C 2.510 178.719 176.094 0.192 0.000 1.050 317 V CA 2.490 64.937 62.300 0.244 0.000 1.010 317 V CB -0.985 30.965 31.823 0.211 0.000 0.637 317 V HN 0.465 nan 8.190 nan 0.000 0.444 318 H N 0.383 119.577 119.070 0.206 0.000 2.353 318 H HA -0.105 4.452 4.556 0.001 0.000 0.298 318 H C 2.291 177.758 175.328 0.231 0.000 1.103 318 H CA 1.919 58.101 56.048 0.223 0.000 1.293 318 H CB -0.834 29.082 29.762 0.257 0.000 1.372 318 H HN 0.467 nan 8.280 nan 0.000 0.501 319 G N -0.324 108.692 108.800 0.360 0.000 2.414 319 G HA2 -0.198 3.762 3.960 0.001 0.000 0.215 319 G HA3 -0.198 3.762 3.960 0.001 0.000 0.215 319 G C 1.885 176.924 174.900 0.232 0.000 1.188 319 G CA 1.095 46.364 45.100 0.281 0.000 0.783 319 G HN 0.301 nan 8.290 nan 0.000 0.537 320 V N 0.402 120.454 119.914 0.231 0.000 2.307 320 V HA -0.184 3.937 4.120 0.001 0.000 0.245 320 V C 3.034 179.237 176.094 0.181 0.000 1.045 320 V CA 1.816 64.248 62.300 0.219 0.000 1.024 320 V CB -0.499 31.482 31.823 0.263 0.000 0.651 320 V HN 0.494 nan 8.190 nan 0.000 0.449 321 C N 0.561 119.962 119.300 0.168 0.000 2.450 321 C HA 0.043 4.504 4.460 0.001 0.000 0.279 321 C C 2.813 177.881 174.990 0.131 0.000 1.335 321 C CA 0.549 59.643 59.018 0.126 0.000 1.749 321 C CB -1.549 26.240 27.740 0.081 0.000 1.963 321 C HN 0.690 nan 8.230 nan 0.000 0.501 322 G N 0.323 109.223 108.800 0.166 0.000 2.421 322 G HA2 -0.066 3.895 3.960 0.001 0.000 0.217 322 G HA3 -0.066 3.895 3.960 0.001 0.000 0.217 322 G C 1.488 176.492 174.900 0.173 0.000 1.143 322 G CA 0.403 45.618 45.100 0.192 0.000 0.784 322 G HN 0.509 nan 8.290 nan 0.000 0.541 323 I N 0.371 121.037 120.570 0.161 0.000 2.202 323 I HA -0.142 4.028 4.170 0.001 0.000 0.242 323 I C 2.755 178.945 176.117 0.121 0.000 1.091 323 I CA 0.502 61.883 61.300 0.136 0.000 1.368 323 I CB -0.210 37.868 38.000 0.130 0.000 1.058 323 I HN 0.012 nan 8.210 nan 0.000 0.410 324 V N 1.047 121.032 119.914 0.118 0.000 2.295 324 V HA -0.238 3.883 4.120 0.001 0.000 0.246 324 V C 2.607 178.773 176.094 0.120 0.000 1.049 324 V CA 2.283 64.645 62.300 0.102 0.000 1.024 324 V CB -1.429 30.447 31.823 0.089 0.000 0.648 324 V HN 0.577 nan 8.190 nan 0.000 0.447 325 G N -1.251 107.626 108.800 0.129 0.000 2.446 325 G HA2 -0.295 3.666 3.960 0.001 0.000 0.217 325 G HA3 -0.295 3.666 3.960 0.001 0.000 0.217 325 G C 1.766 176.773 174.900 0.177 0.000 1.168 325 G CA 1.399 46.587 45.100 0.148 0.000 0.771 325 G HN 0.530 nan 8.290 nan 0.000 0.551 326 C N 0.261 119.664 119.300 0.171 0.000 2.432 326 C HA 0.031 4.492 4.460 0.001 0.000 0.277 326 C C 2.864 177.941 174.990 0.145 0.000 1.249 326 C CA 0.559 59.677 59.018 0.167 0.000 1.725 326 C CB -0.983 26.842 27.740 0.143 0.000 2.028 326 C HN 0.479 nan 8.230 nan 0.000 0.477 327 I N 0.345 120.989 120.570 0.124 0.000 2.179 327 I HA -0.263 3.908 4.170 0.001 0.000 0.242 327 I C 2.476 178.676 176.117 0.138 0.000 1.088 327 I CA 1.757 63.120 61.300 0.104 0.000 1.357 327 I CB -0.379 37.670 38.000 0.082 0.000 1.051 327 I HN 0.336 nan 8.210 nan 0.000 0.409 328 M N -0.351 119.355 119.600 0.178 0.000 2.476 328 M HA -0.103 4.378 4.480 0.001 0.000 0.262 328 M C 2.123 178.618 176.300 0.325 0.000 1.079 328 M CA 1.173 56.634 55.300 0.267 0.000 1.104 328 M CB -0.460 32.318 32.600 0.296 0.000 1.409 328 M HN 0.230 nan 8.290 nan 0.000 0.467 329 T N 0.477 115.187 114.554 0.261 0.000 2.708 329 T HA -0.118 4.233 4.350 0.001 0.000 0.266 329 T C 1.794 176.645 174.700 0.252 0.000 1.037 329 T CA 1.702 63.964 62.100 0.270 0.000 1.146 329 T CB -0.654 68.379 68.868 0.274 0.000 0.865 329 T HN 0.639 nan 8.240 nan 0.000 0.435 330 G N 0.142 109.072 108.800 0.217 0.000 2.708 330 G HA2 0.018 3.978 3.960 0.001 0.000 0.210 330 G HA3 0.018 3.978 3.960 0.001 0.000 0.210 330 G C 1.276 176.349 174.900 0.288 0.000 1.141 330 G CA 0.272 45.514 45.100 0.236 0.000 0.788 330 G HN 0.496 nan 8.290 nan 0.000 0.531 331 I N -1.801 118.884 120.570 0.192 0.000 3.194 331 I HA 0.237 4.407 4.170 0.001 0.000 0.271 331 I C 1.515 177.538 176.117 -0.156 0.000 1.150 331 I CA 0.115 61.419 61.300 0.006 0.000 1.440 331 I CB 0.182 38.056 38.000 -0.210 0.000 1.276 331 I HN 0.006 nan 8.210 nan 0.000 0.457 332 F N 1.186 121.188 119.950 0.087 0.000 2.789 332 F HA 0.214 4.742 4.527 0.001 0.000 0.300 332 F C 2.344 178.110 175.800 -0.056 0.000 1.132 332 F CA 0.480 58.492 58.000 0.020 0.000 1.404 332 F CB -0.324 38.698 39.000 0.037 0.000 1.114 332 F HN -0.049 nan 8.300 nan 0.000 0.584 333 A N 0.459 123.275 122.820 -0.008 0.000 2.067 333 A HA 0.229 4.550 4.320 0.001 0.000 0.219 333 A C 1.668 178.904 177.584 -0.580 0.000 1.158 333 A CA 0.648 52.552 52.037 -0.222 0.000 0.661 333 A CB -1.016 17.830 19.000 -0.257 0.000 0.801 333 A HN 0.149 nan 8.150 nan 0.000 0.452 334 A N 0.152 122.523 122.820 -0.749 0.000 2.565 334 A HA 0.339 4.660 4.320 0.001 0.000 0.237 334 A C 1.478 178.890 177.584 -0.287 0.000 1.053 334 A CA 0.460 52.089 52.037 -0.680 0.000 0.755 334 A CB 0.043 18.891 19.000 -0.253 0.000 0.980 334 A HN 0.487 nan 8.150 nan 0.000 0.506 335 S N 1.812 117.384 115.700 -0.213 0.000 2.383 335 S HA -0.188 4.282 4.470 0.001 0.000 0.229 335 S C 2.109 176.681 174.600 -0.046 0.000 1.030 335 S CA 1.689 59.833 58.200 -0.093 0.000 1.002 335 S CB -0.448 62.721 63.200 -0.051 0.000 0.829 335 S HN 1.120 nan 8.310 nan 0.000 0.467 336 S N 1.540 117.217 115.700 -0.038 0.000 2.469 336 S HA 0.091 4.562 4.470 0.001 0.000 0.238 336 S C 1.166 175.767 174.600 0.000 0.000 0.998 336 S CA 0.665 58.859 58.200 -0.010 0.000 0.957 336 S CB -0.446 62.754 63.200 -0.000 0.000 0.764 336 S HN 0.456 nan 8.310 nan 0.000 0.514 337 L N 0.701 121.922 121.223 -0.004 0.000 3.066 337 L HA 0.460 4.801 4.340 0.001 0.000 0.265 337 L C 1.446 178.383 176.870 0.111 0.000 1.232 337 L CA 0.137 55.015 54.840 0.063 0.000 1.031 337 L CB 0.098 42.178 42.059 0.034 0.000 1.379 337 L HN 0.494 nan 8.230 nan 0.000 0.563 338 G N -0.194 108.635 108.800 0.049 0.000 2.175 338 G HA2 -0.222 3.739 3.960 0.001 0.000 0.244 338 G HA3 -0.222 3.739 3.960 0.001 0.000 0.244 338 G C 0.556 175.474 174.900 0.031 0.000 0.982 338 G CA -0.181 44.945 45.100 0.044 0.000 0.641 338 G HN 0.514 nan 8.290 nan 0.000 0.527 339 G N -0.762 108.044 108.800 0.009 0.000 2.588 339 G HA2 0.578 4.539 3.960 0.001 0.000 0.281 339 G HA3 0.578 4.539 3.960 0.001 0.000 0.281 339 G C 1.439 176.321 174.900 -0.030 0.000 1.236 339 G CA 0.699 45.794 45.100 -0.008 0.000 0.969 339 G HN 1.321 nan 8.290 nan 0.000 0.504 340 V N -2.159 117.753 119.914 -0.002 0.000 3.141 340 V HA 0.460 4.580 4.120 0.001 0.000 0.265 340 V C 1.155 177.233 176.094 -0.027 0.000 1.126 340 V CA 0.757 63.067 62.300 0.016 0.000 1.141 340 V CB -1.409 30.469 31.823 0.092 0.000 0.743 340 V HN 2.195 nan 8.190 nan 0.000 0.492 341 G N -0.553 108.164 108.800 -0.137 0.000 2.784 341 G HA2 -0.042 3.919 3.960 0.001 0.000 0.686 341 G HA3 -0.042 3.919 3.960 0.001 0.000 0.686 341 G C -0.820 173.953 174.900 -0.213 0.000 1.156 341 G CA -0.523 44.458 45.100 -0.197 0.000 0.757 341 G HN 0.358 nan 8.290 nan 0.000 0.642 342 F N 1.362 121.315 119.950 0.006 0.000 2.440 342 F HA 0.615 5.143 4.527 0.001 0.000 0.323 342 F C 1.496 177.294 175.800 -0.002 0.000 1.192 342 F CA 0.486 58.478 58.000 -0.012 0.000 1.252 342 F CB 0.442 39.438 39.000 -0.007 0.000 1.214 342 F HN 0.973 nan 8.300 nan 0.000 0.578 343 A N 0.906 123.849 122.820 0.205 0.000 2.521 343 A HA 0.061 4.381 4.320 0.001 0.000 0.237 343 A C 0.285 177.925 177.584 0.093 0.000 1.087 343 A CA -0.496 51.609 52.037 0.114 0.000 0.777 343 A CB -0.314 18.736 19.000 0.082 0.000 1.035 343 A HN 0.770 nan 8.150 nan 0.000 0.510 344 E N -0.229 120.003 120.200 0.054 0.000 2.442 344 E HA 0.298 4.649 4.350 0.001 0.000 0.262 344 E C 1.180 177.781 176.600 0.002 0.000 1.004 344 E CA 0.962 57.381 56.400 0.032 0.000 0.928 344 E CB 0.123 29.834 29.700 0.018 0.000 0.937 344 E HN 1.355 nan 8.360 nan 0.000 0.446 345 G N 1.624 110.418 108.800 -0.010 0.000 2.166 345 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 345 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 345 G C 0.060 174.889 174.900 -0.118 0.000 0.986 345 G CA 0.249 45.315 45.100 -0.056 0.000 0.683 345 G HN 0.366 nan 8.290 nan 0.000 0.527 346 V N 2.088 121.954 119.914 -0.080 0.000 2.350 346 V HA 0.571 4.692 4.120 0.001 0.000 0.285 346 V C 0.969 176.974 176.094 -0.149 0.000 1.014 346 V CA -0.086 62.118 62.300 -0.160 0.000 0.831 346 V CB 1.291 33.066 31.823 -0.081 0.000 1.000 346 V HN 0.643 nan 8.190 nan 0.000 0.433 347 T N 2.097 116.545 114.554 -0.177 0.000 2.813 347 T HA 0.220 4.570 4.350 0.001 0.000 0.297 347 T C 1.299 175.732 174.700 -0.446 0.000 1.036 347 T CA -0.280 61.709 62.100 -0.185 0.000 1.044 347 T CB 0.941 69.753 68.868 -0.093 0.000 0.993 347 T HN 0.574 nan 8.240 nan 0.000 0.535 348 M N 1.238 120.572 119.600 -0.443 0.000 2.159 348 M HA 0.015 4.496 4.480 0.001 0.000 0.263 348 M C 2.218 178.334 176.300 -0.307 0.000 1.063 348 M CA 2.201 57.167 55.300 -0.556 0.000 1.110 348 M CB -1.012 31.539 32.600 -0.081 0.000 1.374 348 M HN 0.931 nan 8.290 nan 0.000 0.411 349 G N -1.280 107.419 108.800 -0.167 0.000 2.422 349 G HA2 -0.301 3.659 3.960 0.001 0.000 0.218 349 G HA3 -0.301 3.659 3.960 0.001 0.000 0.218 349 G C 1.152 175.987 174.900 -0.109 0.000 1.146 349 G CA 1.396 46.433 45.100 -0.106 0.000 0.769 349 G HN 0.641 nan 8.290 nan 0.000 0.547 350 H N -0.235 118.710 119.070 -0.208 0.000 2.299 350 H HA -0.038 4.519 4.556 0.001 0.000 0.302 350 H C 2.611 177.821 175.328 -0.197 0.000 1.078 350 H CA 1.954 57.897 56.048 -0.175 0.000 1.323 350 H CB -0.061 29.599 29.762 -0.169 0.000 1.381 350 H HN 0.295 nan 8.280 nan 0.000 0.498 351 Q N 0.484 120.150 119.800 -0.223 0.000 2.135 351 Q HA -0.109 4.231 4.340 0.001 0.000 0.204 351 Q C 2.314 178.210 176.000 -0.174 0.000 0.981 351 Q CA 1.656 57.321 55.803 -0.231 0.000 0.856 351 Q CB -0.457 28.037 28.738 -0.407 0.000 0.902 351 Q HN 0.622 nan 8.270 nan 0.000 0.425 352 L N -0.758 120.365 121.223 -0.166 0.000 2.093 352 L HA -0.159 4.181 4.340 0.001 0.000 0.208 352 L C 2.026 178.830 176.870 -0.110 0.000 1.085 352 L CA 0.433 55.217 54.840 -0.094 0.000 0.755 352 L CB -0.399 41.617 42.059 -0.072 0.000 0.904 352 L HN 0.303 nan 8.230 nan 0.000 0.435 353 L N -0.633 120.488 121.223 -0.170 0.000 2.046 353 L HA -0.151 4.190 4.340 0.001 0.000 0.208 353 L C 2.348 179.103 176.870 -0.191 0.000 1.077 353 L CA 1.659 56.392 54.840 -0.179 0.000 0.747 353 L CB -0.461 41.459 42.059 -0.231 0.000 0.896 353 L HN -0.045 nan 8.230 nan 0.000 0.432 354 V N -0.636 119.126 119.914 -0.252 0.000 2.427 354 V HA -0.232 3.889 4.120 0.001 0.000 0.248 354 V C 2.620 178.656 176.094 -0.096 0.000 1.051 354 V CA 1.234 63.415 62.300 -0.197 0.000 1.048 354 V CB -0.574 31.128 31.823 -0.202 0.000 0.666 354 V HN 0.471 nan 8.190 nan 0.000 0.456 355 Q N -0.075 119.686 119.800 -0.064 0.000 2.050 355 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 355 Q C 2.302 178.297 176.000 -0.008 0.000 0.980 355 Q CA 1.598 57.396 55.803 -0.008 0.000 0.840 355 Q CB -0.549 28.204 28.738 0.025 0.000 0.898 355 Q HN 0.536 nan 8.270 nan 0.000 0.424 356 L N 0.594 121.802 121.223 -0.026 0.000 2.083 356 L HA -0.196 4.145 4.340 0.001 0.000 0.209 356 L C 2.283 179.141 176.870 -0.020 0.000 1.083 356 L CA 1.225 56.056 54.840 -0.016 0.000 0.752 356 L CB -0.390 41.653 42.059 -0.026 0.000 0.899 356 L HN 0.261 nan 8.230 nan 0.000 0.433 357 E N -0.380 119.790 120.200 -0.049 0.000 2.106 357 E HA -0.152 4.199 4.350 0.001 0.000 0.192 357 E C 2.318 178.899 176.600 -0.031 0.000 0.984 357 E CA 1.342 57.711 56.400 -0.051 0.000 0.806 357 E CB -0.008 29.631 29.700 -0.101 0.000 0.750 357 E HN 0.360 nan 8.360 nan 0.000 0.458 358 S N 0.865 116.544 115.700 -0.034 0.000 2.368 358 S HA -0.119 4.351 4.470 0.001 0.000 0.225 358 S C 2.043 176.640 174.600 -0.004 0.000 1.030 358 S CA 0.788 58.970 58.200 -0.030 0.000 0.999 358 S CB -0.148 63.032 63.200 -0.033 0.000 0.844 358 S HN 0.192 nan 8.310 nan 0.000 0.459 359 I N 1.696 122.277 120.570 0.018 0.000 2.179 359 I HA -0.208 3.963 4.170 0.001 0.000 0.242 359 I C 2.711 178.863 176.117 0.057 0.000 1.088 359 I CA 1.139 62.467 61.300 0.047 0.000 1.357 359 I CB -0.478 37.557 38.000 0.058 0.000 1.051 359 I HN 0.270 nan 8.210 nan 0.000 0.409 360 A N 0.881 123.729 122.820 0.045 0.000 1.902 360 A HA -0.164 4.157 4.320 0.001 0.000 0.217 360 A C 2.292 179.924 177.584 0.080 0.000 1.181 360 A CA 1.468 53.538 52.037 0.056 0.000 0.623 360 A CB -0.814 18.207 19.000 0.036 0.000 0.818 360 A HN 0.363 nan 8.150 nan 0.000 0.443 361 I N -0.378 120.237 120.570 0.076 0.000 2.226 361 I HA -0.227 3.944 4.170 0.001 0.000 0.245 361 I C 2.576 178.787 176.117 0.157 0.000 1.100 361 I CA 1.755 63.132 61.300 0.128 0.000 1.374 361 I CB -0.380 37.678 38.000 0.097 0.000 1.057 361 I HN 0.272 nan 8.210 nan 0.000 0.413 362 T N 0.916 115.521 114.554 0.084 0.000 2.737 362 T HA -0.101 4.250 4.350 0.001 0.000 0.265 362 T C 1.921 176.722 174.700 0.168 0.000 1.038 362 T CA 1.295 63.446 62.100 0.084 0.000 1.144 362 T CB -0.246 68.642 68.868 0.034 0.000 0.866 362 T HN 0.206 nan 8.240 nan 0.000 0.434 363 I N 0.882 121.541 120.570 0.148 0.000 2.099 363 I HA -0.194 3.977 4.170 0.001 0.000 0.239 363 I C 2.504 178.724 176.117 0.172 0.000 1.066 363 I CA 1.208 62.602 61.300 0.157 0.000 1.324 363 I CB -0.488 37.584 38.000 0.120 0.000 1.037 363 I HN 0.087 nan 8.210 nan 0.000 0.401 364 V N 0.069 120.075 119.914 0.155 0.000 2.295 364 V HA -0.287 3.834 4.120 0.001 0.000 0.246 364 V C 2.090 178.292 176.094 0.179 0.000 1.049 364 V CA 1.740 64.121 62.300 0.135 0.000 1.024 364 V CB -0.775 31.104 31.823 0.093 0.000 0.648 364 V HN 0.615 nan 8.190 nan 0.000 0.447 365 W N 0.750 122.074 121.300 0.041 0.000 2.355 365 W HA -0.210 4.452 4.660 0.004 0.000 0.309 365 W C 2.855 179.408 176.519 0.057 0.000 1.206 365 W CA 2.277 59.635 57.345 0.022 0.000 1.284 365 W CB -0.591 28.860 29.460 -0.016 0.000 1.145 365 W HN 0.357 nan 8.180 nan 0.000 0.502 366 S N 0.152 116.124 115.700 0.454 0.000 2.368 366 S HA -0.089 4.382 4.470 0.001 0.000 0.225 366 S C 2.057 176.925 174.600 0.446 0.000 1.030 366 S CA 1.983 60.465 58.200 0.471 0.000 0.999 366 S CB -0.852 62.640 63.200 0.487 0.000 0.844 366 S HN 0.299 nan 8.310 nan 0.000 0.459 367 G N 0.870 109.855 108.800 0.309 0.000 2.421 367 G HA2 -0.137 3.824 3.960 0.001 0.000 0.216 367 G HA3 -0.137 3.824 3.960 0.001 0.000 0.216 367 G C 1.485 176.544 174.900 0.266 0.000 1.171 367 G CA 1.100 46.357 45.100 0.263 0.000 0.775 367 G HN 0.465 nan 8.290 nan 0.000 0.543 368 V N 0.573 120.588 119.914 0.168 0.000 2.332 368 V HA -0.181 3.940 4.120 0.001 0.000 0.248 368 V C 2.992 179.202 176.094 0.193 0.000 1.055 368 V CA 1.619 63.997 62.300 0.131 0.000 1.038 368 V CB -0.467 31.338 31.823 -0.031 0.000 0.651 368 V HN 0.249 nan 8.190 nan 0.000 0.450 369 V N -0.013 120.003 119.914 0.169 0.000 2.407 369 V HA -0.127 3.994 4.120 0.001 0.000 0.245 369 V C 2.688 178.968 176.094 0.311 0.000 1.041 369 V CA 1.563 63.964 62.300 0.168 0.000 1.040 369 V CB -1.023 30.858 31.823 0.097 0.000 0.671 369 V HN 0.525 nan 8.190 nan 0.000 0.455 370 A N 0.215 123.332 122.820 0.495 0.000 1.859 370 A HA -0.306 4.015 4.320 0.001 0.000 0.217 370 A C 2.134 179.973 177.584 0.424 0.000 1.198 370 A CA 2.366 54.693 52.037 0.484 0.000 0.629 370 A CB -0.934 18.360 19.000 0.490 0.000 0.830 370 A HN 0.509 nan 8.150 nan 0.000 0.446 371 F N 0.451 120.589 119.950 0.314 0.000 2.120 371 F HA -0.212 4.314 4.527 -0.001 0.000 0.300 371 F C 1.961 177.904 175.800 0.238 0.000 1.095 371 F CA 1.920 60.099 58.000 0.299 0.000 1.249 371 F CB -0.252 38.865 39.000 0.195 0.000 0.995 371 F HN 0.205 nan 8.300 nan 0.000 0.480 372 I N -0.244 120.420 120.570 0.156 0.000 2.252 372 I HA -0.179 3.992 4.170 0.001 0.000 0.245 372 I C 2.751 178.866 176.117 -0.003 0.000 1.102 372 I CA 1.266 62.578 61.300 0.019 0.000 1.385 372 I CB -1.201 36.843 38.000 0.074 0.000 1.064 372 I HN 0.271 nan 8.210 nan 0.000 0.414 373 G N 0.149 108.972 108.800 0.038 0.000 2.421 373 G HA2 -0.271 3.689 3.960 0.001 0.000 0.216 373 G HA3 -0.271 3.689 3.960 0.001 0.000 0.216 373 G C 1.436 176.440 174.900 0.174 0.000 1.171 373 G CA 0.729 45.847 45.100 0.030 0.000 0.775 373 G HN 0.258 nan 8.290 nan 0.000 0.543 374 Y N 1.173 121.643 120.300 0.282 0.000 2.242 374 Y HA 0.018 4.568 4.550 0.000 0.000 0.291 374 Y C 2.821 178.683 175.900 -0.064 0.000 1.137 374 Y CA 1.012 59.157 58.100 0.074 0.000 1.181 374 Y CB -0.020 38.417 38.460 -0.039 0.000 0.989 374 Y HN 0.048 nan 8.280 nan 0.000 0.527 375 K N -0.392 119.974 120.400 -0.057 0.000 2.062 375 K HA -0.109 4.212 4.320 0.001 0.000 0.205 375 K C 2.110 178.684 176.600 -0.043 0.000 1.051 375 K CA 0.742 56.941 56.287 -0.147 0.000 0.941 375 K CB -0.830 31.448 32.500 -0.370 0.000 0.719 375 K HN 0.262 nan 8.250 nan 0.000 0.440 376 L N 1.453 122.668 121.223 -0.014 0.000 2.046 376 L HA -0.083 4.258 4.340 0.001 0.000 0.208 376 L C 2.230 179.125 176.870 0.042 0.000 1.077 376 L CA 1.813 56.661 54.840 0.012 0.000 0.747 376 L CB -0.855 41.213 42.059 0.015 0.000 0.896 376 L HN 0.135 nan 8.230 nan 0.000 0.432 377 A N -0.868 122.002 122.820 0.083 0.000 1.883 377 A HA -0.288 4.032 4.320 0.001 0.000 0.217 377 A C 2.138 179.764 177.584 0.070 0.000 1.186 377 A CA 2.005 54.103 52.037 0.102 0.000 0.624 377 A CB -1.004 18.098 19.000 0.170 0.000 0.822 377 A HN 0.538 nan 8.150 nan 0.000 0.444 378 D N -0.319 120.115 120.400 0.056 0.000 2.144 378 D HA -0.070 4.571 4.640 0.001 0.000 0.200 378 D C 1.787 178.098 176.300 0.018 0.000 0.978 378 D CA 0.946 54.963 54.000 0.029 0.000 0.833 378 D CB -0.175 40.630 40.800 0.009 0.000 0.961 378 D HN 0.437 nan 8.370 nan 0.000 0.470 379 L N -0.519 120.712 121.223 0.014 0.000 2.313 379 L HA -0.038 4.303 4.340 0.001 0.000 0.214 379 L C 2.179 179.059 176.870 0.016 0.000 1.119 379 L CA 0.905 55.752 54.840 0.010 0.000 0.809 379 L CB -0.252 41.810 42.059 0.004 0.000 0.933 379 L HN 0.049 nan 8.230 nan 0.000 0.449 380 T N -0.914 113.655 114.554 0.024 0.000 2.866 380 T HA -0.044 4.307 4.350 0.001 0.000 0.250 380 T C 1.581 176.297 174.700 0.027 0.000 1.033 380 T CA 1.533 63.649 62.100 0.026 0.000 1.145 380 T CB 0.206 69.094 68.868 0.033 0.000 0.866 380 T HN 0.278 nan 8.240 nan 0.000 0.434 381 V N -2.355 117.580 119.914 0.036 0.000 3.562 381 V HA 0.688 4.809 4.120 0.001 0.000 0.270 381 V C 0.790 176.904 176.094 0.034 0.000 1.418 381 V CA 0.243 62.565 62.300 0.037 0.000 1.033 381 V CB -0.390 31.463 31.823 0.050 0.000 0.820 381 V HN 0.639 nan 8.190 nan 0.000 0.441 382 G N 0.224 109.043 108.800 0.033 0.000 2.719 382 G HA2 -0.127 3.834 3.960 0.001 0.000 0.686 382 G HA3 -0.127 3.834 3.960 0.001 0.000 0.686 382 G C -0.303 174.616 174.900 0.031 0.000 1.201 382 G CA -0.011 45.104 45.100 0.024 0.000 0.768 382 G HN 0.319 nan 8.290 nan 0.000 0.629 383 L N 0.747 121.979 121.223 0.016 0.000 2.189 383 L HA 0.190 4.531 4.340 0.001 0.000 0.199 383 L C 2.168 179.031 176.870 -0.011 0.000 1.074 383 L CA 0.999 55.845 54.840 0.010 0.000 0.783 383 L CB -0.195 41.855 42.059 -0.016 0.000 0.955 383 L HN 0.808 nan 8.230 nan 0.000 0.460 384 R N 0.622 121.107 120.500 -0.025 0.000 2.491 384 R HA 0.212 4.552 4.340 0.001 0.000 0.283 384 R C -0.137 176.155 176.300 -0.014 0.000 1.072 384 R CA -0.494 55.586 56.100 -0.033 0.000 1.048 384 R CB 0.676 30.949 30.300 -0.044 0.000 0.983 384 R HN -0.077 nan 8.270 nan 0.000 0.450 385 V N 4.901 124.805 119.914 -0.017 0.000 2.557 385 V HA 0.088 4.209 4.120 0.001 0.000 0.301 385 V C -1.433 174.658 176.094 -0.004 0.000 1.026 385 V CA -1.142 61.156 62.300 -0.004 0.000 1.137 385 V CB -0.177 31.637 31.823 -0.014 0.000 0.917 385 V HN 0.954 nan 8.190 nan 0.000 0.484 386 P HA 0.000 nan 4.420 nan 0.000 0.216 386 P CA 0.000 63.102 63.100 0.003 0.000 0.800 386 P CB 0.000 31.707 31.700 0.011 0.000 0.726