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 1cc2_1_A DATA FIRST_RESID 9 DATA SEQUENCE GYVPAVVIGT GYGAAVSALR LGEAGVQTLM LEMGQLWNQP GPDGNIFCGM DATA SEQUENCE LNPDKRSSWF KNRTEAPLGS FLWLDVVNRN IDPYAGVLDR VNYDQMSVYV DATA SEQUENCE GRGVGGGSLV NGGMAVEPKR SYFEEILPRV DSSEMYDRYF PRANSMLRVN DATA SEQUENCE HIDTKWFEDT EWYKFARVSR EQAGKAGLGT VFVPNVYDFG YMQREAAGEV DATA SEQUENCE PKSALATEVI YGNNHGKQSL DKTYLAAALG TGKVTIQTLH QVKTIRQTKD DATA SEQUENCE GGYALTVEQK DTDGKLLATK EISCRYLFLG AGSLGSTELL VRARDTGTLP DATA SEQUENCE NLNSEVGAGW GPNGNIMTAR ANHMWNPTGA HQSSIPALGI DAWDNSDSSV DATA SEQUENCE FAEIAPMPAG LETWVSLYLA ITKNPQRGTF VYDAATDRAK LNWTRDQNAP DATA SEQUENCE AVNAAKALFD RINKANGTIY RYDLFGTQLK AFADDFCYQP LGGCVLGKAT DATA SEQUENCE DDYGRVAGYK NLYVTDGSLI PGSVGVNPFV TITALAERNV ERIIKQDV 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.613 3.960 -0.578 0.000 0.244 9 G C 0.000 174.965 174.900 0.109 0.000 0.946 9 G CA 0.000 45.145 45.100 0.076 0.000 0.502 10 Y N 1.350 121.657 120.300 0.013 0.000 2.342 10 Y HA 0.706 4.910 4.550 -0.578 0.000 0.334 10 Y C -0.701 175.212 175.900 0.022 0.000 1.067 10 Y CA -0.942 57.167 58.100 0.015 0.000 1.128 10 Y CB 1.877 40.342 38.460 0.009 0.000 1.200 10 Y HN 0.076 nan 8.280 nan 0.000 0.464 11 V N 8.896 128.291 119.914 -0.866 0.000 2.733 11 V HA 0.253 4.026 4.120 -0.578 0.000 0.306 11 V C -2.050 173.539 176.094 -0.841 0.000 1.084 11 V CA -1.741 60.169 62.300 -0.651 0.000 0.905 11 V CB 1.950 33.616 31.823 -0.262 0.000 1.010 11 V HN 0.655 nan 8.190 nan 0.000 0.424 12 P HA -0.108 nan 4.420 nan 0.000 0.215 12 P C 0.158 177.504 177.300 0.076 0.000 1.163 12 P CA 1.804 64.814 63.100 -0.149 0.000 0.894 12 P CB 0.318 32.065 31.700 0.079 0.000 0.791 13 A N -1.467 121.409 122.820 0.094 0.000 2.386 13 A HA 0.588 4.561 4.320 -0.578 0.000 0.311 13 A C -1.242 176.401 177.584 0.097 0.000 1.068 13 A CA -0.458 51.712 52.037 0.221 0.000 0.743 13 A CB 1.575 20.727 19.000 0.254 0.000 1.258 13 A HN -0.133 nan 8.150 nan 0.000 0.429 14 V N 2.372 122.380 119.914 0.157 0.000 2.531 14 V HA 0.482 4.255 4.120 -0.578 0.000 0.301 14 V C -0.597 175.582 176.094 0.142 0.000 1.034 14 V CA -0.498 61.853 62.300 0.085 0.000 0.865 14 V CB 1.786 33.640 31.823 0.051 0.000 0.995 14 V HN 0.709 nan 8.190 nan 0.000 0.424 15 V N 6.153 126.108 119.914 0.067 0.000 2.459 15 V HA 0.510 4.283 4.120 -0.578 0.000 0.295 15 V C -0.130 175.989 176.094 0.042 0.000 1.029 15 V CA -0.491 61.855 62.300 0.077 0.000 0.874 15 V CB 1.880 33.693 31.823 -0.017 0.000 0.985 15 V HN 0.672 nan 8.190 nan 0.000 0.438 16 I N 4.755 125.356 120.570 0.052 0.000 2.304 16 I HA 0.690 4.513 4.170 -0.578 0.000 0.291 16 I C 0.818 176.944 176.117 0.014 0.000 1.018 16 I CA 0.294 61.608 61.300 0.024 0.000 1.260 16 I CB 0.942 38.950 38.000 0.014 0.000 1.390 16 I HN 0.919 nan 8.210 nan 0.000 0.475 17 G N 4.168 112.970 108.800 0.004 0.000 2.663 17 G HA2 -0.128 3.485 3.960 -0.578 0.000 0.686 17 G HA3 -0.128 3.485 3.960 -0.578 0.000 0.686 17 G C -0.055 174.833 174.900 -0.019 0.000 1.288 17 G CA -0.248 44.848 45.100 -0.007 0.000 0.836 17 G HN 0.776 nan 8.290 nan 0.000 0.584 18 T N -1.852 112.684 114.554 -0.031 0.000 3.516 18 T HA 0.655 4.658 4.350 -0.578 0.000 0.300 18 T C 1.113 175.754 174.700 -0.099 0.000 0.995 18 T CA 0.964 63.030 62.100 -0.057 0.000 0.982 18 T CB 0.389 69.234 68.868 -0.039 0.000 1.199 18 T HN 1.926 nan 8.240 nan 0.000 0.481 19 G N 0.461 109.211 108.800 -0.083 0.000 2.504 19 G HA2 0.442 4.055 3.960 -0.578 0.000 0.257 19 G HA3 0.442 4.055 3.960 -0.578 0.000 0.257 19 G C 0.287 175.073 174.900 -0.190 0.000 1.451 19 G CA -0.742 44.290 45.100 -0.113 0.000 1.059 19 G HN 0.226 nan 8.290 nan 0.000 0.550 20 Y N 0.545 120.785 120.300 -0.100 0.000 2.070 20 Y HA -0.078 4.125 4.550 -0.579 0.000 0.280 20 Y C 3.074 178.864 175.900 -0.184 0.000 1.148 20 Y CA 1.903 59.913 58.100 -0.150 0.000 1.125 20 Y CB -0.721 37.691 38.460 -0.079 0.000 0.975 20 Y HN 0.444 nan 8.280 nan 0.000 0.492 21 G N -0.680 108.154 108.800 0.057 0.000 2.422 21 G HA2 -0.221 3.392 3.960 -0.578 0.000 0.218 21 G HA3 -0.221 3.392 3.960 -0.578 0.000 0.218 21 G C 1.856 176.723 174.900 -0.055 0.000 1.146 21 G CA 1.012 46.107 45.100 -0.007 0.000 0.769 21 G HN 0.491 nan 8.290 nan 0.000 0.547 22 A N 0.982 123.771 122.820 -0.051 0.000 1.929 22 A HA 0.388 4.361 4.320 -0.578 0.000 0.216 22 A C 2.781 180.285 177.584 -0.134 0.000 1.176 22 A CA 1.956 53.952 52.037 -0.068 0.000 0.628 22 A CB -0.632 18.343 19.000 -0.043 0.000 0.816 22 A HN 0.692 nan 8.150 nan 0.000 0.444 23 A N -0.447 122.264 122.820 -0.182 0.000 1.877 23 A HA 0.003 3.976 4.320 -0.578 0.000 0.216 23 A C 2.220 179.646 177.584 -0.264 0.000 1.186 23 A CA 1.756 53.667 52.037 -0.210 0.000 0.620 23 A CB -0.944 17.895 19.000 -0.268 0.000 0.822 23 A HN 0.355 nan 8.150 nan 0.000 0.443 24 V N 0.152 119.803 119.914 -0.439 0.000 2.295 24 V HA -0.244 3.529 4.120 -0.578 0.000 0.246 24 V C 2.825 178.807 176.094 -0.187 0.000 1.049 24 V CA 2.383 64.443 62.300 -0.399 0.000 1.024 24 V CB -0.882 30.716 31.823 -0.375 0.000 0.648 24 V HN 0.583 nan 8.190 nan 0.000 0.447 25 S N 0.449 116.023 115.700 -0.210 0.000 2.359 25 S HA -0.234 3.889 4.470 -0.578 0.000 0.224 25 S C 2.218 176.618 174.600 -0.334 0.000 1.035 25 S CA 1.576 59.595 58.200 -0.302 0.000 1.018 25 S CB -0.614 62.383 63.200 -0.338 0.000 0.876 25 S HN 0.669 nan 8.310 nan 0.000 0.448 26 A N 1.293 123.969 122.820 -0.239 0.000 1.902 26 A HA -0.039 3.934 4.320 -0.578 0.000 0.217 26 A C 2.137 179.645 177.584 -0.126 0.000 1.181 26 A CA 1.413 53.338 52.037 -0.187 0.000 0.623 26 A CB -0.702 18.224 19.000 -0.125 0.000 0.818 26 A HN 0.399 nan 8.150 nan 0.000 0.443 27 L N -0.275 120.911 121.223 -0.062 0.000 1.976 27 L HA -0.134 3.859 4.340 -0.578 0.000 0.209 27 L C 2.396 179.242 176.870 -0.039 0.000 1.071 27 L CA 1.952 56.789 54.840 -0.005 0.000 0.746 27 L CB -0.597 41.536 42.059 0.123 0.000 0.890 27 L HN 0.238 nan 8.230 nan 0.000 0.432 28 R N -0.178 120.290 120.500 -0.054 0.000 2.105 28 R HA -0.099 3.894 4.340 -0.578 0.000 0.239 28 R C 2.303 178.532 176.300 -0.118 0.000 1.135 28 R CA 1.566 57.623 56.100 -0.072 0.000 0.967 28 R CB -1.217 29.038 30.300 -0.075 0.000 0.861 28 R HN 0.439 nan 8.270 nan 0.000 0.442 29 L N -0.459 120.653 121.223 -0.184 0.000 2.109 29 L HA -0.033 3.960 4.340 -0.578 0.000 0.207 29 L C 2.509 179.305 176.870 -0.123 0.000 1.086 29 L CA 1.397 56.116 54.840 -0.201 0.000 0.760 29 L CB -0.788 41.084 42.059 -0.310 0.000 0.910 29 L HN 0.275 nan 8.230 nan 0.000 0.437 30 G N -0.444 108.294 108.800 -0.102 0.000 2.421 30 G HA2 -0.226 3.387 3.960 -0.578 0.000 0.216 30 G HA3 -0.226 3.387 3.960 -0.578 0.000 0.216 30 G C 1.413 176.283 174.900 -0.051 0.000 1.171 30 G CA 0.479 45.538 45.100 -0.067 0.000 0.775 30 G HN 0.385 nan 8.290 nan 0.000 0.543 31 E N 0.488 120.659 120.200 -0.049 0.000 2.153 31 E HA -0.022 3.981 4.350 -0.578 0.000 0.194 31 E C 2.653 179.231 176.600 -0.036 0.000 0.988 31 E CA 0.693 57.071 56.400 -0.036 0.000 0.811 31 E CB -0.120 29.562 29.700 -0.029 0.000 0.746 31 E HN 0.429 nan 8.360 nan 0.000 0.466 32 A N 0.155 122.945 122.820 -0.050 0.000 2.238 32 A HA 0.223 4.196 4.320 -0.578 0.000 0.208 32 A C 1.683 179.246 177.584 -0.035 0.000 1.177 32 A CA 0.817 52.826 52.037 -0.047 0.000 0.804 32 A CB -0.266 18.692 19.000 -0.069 0.000 0.823 32 A HN 0.333 nan 8.150 nan 0.000 0.482 33 G N -1.625 107.156 108.800 -0.032 0.000 2.141 33 G HA2 -0.187 3.426 3.960 -0.578 0.000 0.242 33 G HA3 -0.187 3.426 3.960 -0.578 0.000 0.242 33 G C 0.080 174.975 174.900 -0.009 0.000 0.982 33 G CA 0.106 45.196 45.100 -0.017 0.000 0.662 33 G HN 0.801 nan 8.290 nan 0.000 0.527 34 V N 0.925 120.824 119.914 -0.025 0.000 2.406 34 V HA 0.472 4.245 4.120 -0.578 0.000 0.272 34 V C 0.791 176.878 176.094 -0.012 0.000 1.043 34 V CA -0.486 61.811 62.300 -0.005 0.000 0.915 34 V CB 1.652 33.455 31.823 -0.033 0.000 0.988 34 V HN 0.421 nan 8.190 nan 0.000 0.466 35 Q N 3.690 123.495 119.800 0.008 0.000 2.262 35 Q HA 0.224 4.217 4.340 -0.578 0.000 0.272 35 Q C -0.142 175.842 176.000 -0.026 0.000 1.076 35 Q CA 0.678 56.473 55.803 -0.013 0.000 0.905 35 Q CB 0.505 29.238 28.738 -0.008 0.000 1.182 35 Q HN 0.886 nan 8.270 nan 0.000 0.390 36 T N 4.432 118.958 114.554 -0.045 0.000 2.863 36 T HA 0.575 4.578 4.350 -0.578 0.000 0.285 36 T C -1.362 173.302 174.700 -0.060 0.000 1.009 36 T CA -0.651 61.415 62.100 -0.056 0.000 0.989 36 T CB 0.949 69.763 68.868 -0.090 0.000 1.004 36 T HN 0.529 nan 8.240 nan 0.000 0.455 37 L N 3.631 124.821 121.223 -0.056 0.000 2.333 37 L HA 0.669 4.662 4.340 -0.578 0.000 0.280 37 L C -0.958 175.880 176.870 -0.053 0.000 1.004 37 L CA -0.531 54.271 54.840 -0.063 0.000 0.820 37 L CB 1.151 43.167 42.059 -0.072 0.000 1.247 37 L HN 0.663 nan 8.230 nan 0.000 0.416 38 M N 6.239 125.803 119.600 -0.060 0.000 2.238 38 M HA 0.460 4.593 4.480 -0.578 0.000 0.350 38 M C -1.146 175.123 176.300 -0.052 0.000 1.138 38 M CA -0.392 54.879 55.300 -0.048 0.000 1.040 38 M CB 1.575 34.146 32.600 -0.049 0.000 1.639 38 M HN 0.460 nan 8.290 nan 0.000 0.451 39 L N 2.697 123.903 121.223 -0.028 0.000 2.305 39 L HA 0.518 4.511 4.340 -0.578 0.000 0.284 39 L C -0.474 176.409 176.870 0.022 0.000 1.013 39 L CA -0.534 54.299 54.840 -0.011 0.000 0.819 39 L CB 1.576 43.643 42.059 0.013 0.000 1.227 39 L HN 0.575 nan 8.230 nan 0.000 0.417 40 E N 3.256 123.484 120.200 0.047 0.000 2.224 40 E HA 0.300 4.303 4.350 -0.578 0.000 0.265 40 E C 0.323 176.986 176.600 0.104 0.000 0.878 40 E CA -0.676 55.757 56.400 0.055 0.000 0.759 40 E CB 1.693 31.418 29.700 0.042 0.000 1.164 40 E HN 0.598 nan 8.360 nan 0.000 0.414 41 M N 2.020 121.671 119.600 0.085 0.000 2.254 41 M HA 0.288 4.421 4.480 -0.578 0.000 0.265 41 M C 0.989 177.434 176.300 0.241 0.000 1.066 41 M CA 1.061 56.449 55.300 0.146 0.000 1.123 41 M CB -0.101 32.558 32.600 0.097 0.000 1.388 41 M HN 0.351 nan 8.290 nan 0.000 0.425 42 G N 0.852 109.737 108.800 0.142 0.000 2.535 42 G HA2 0.360 3.973 3.960 -0.578 0.000 0.282 42 G HA3 0.360 3.973 3.960 -0.578 0.000 0.282 42 G C -0.775 174.241 174.900 0.193 0.000 1.350 42 G CA -0.695 44.567 45.100 0.269 0.000 1.039 42 G HN 0.471 nan 8.290 nan 0.000 0.509 43 Q N -1.463 118.417 119.800 0.134 0.000 2.199 43 Q HA 0.419 4.412 4.340 -0.578 0.000 0.232 43 Q C -0.870 175.039 176.000 -0.153 0.000 0.969 43 Q CA -0.836 54.863 55.803 -0.174 0.000 0.925 43 Q CB 1.988 30.323 28.738 -0.671 0.000 1.198 43 Q HN 0.309 nan 8.270 nan 0.000 0.494 44 L N 1.183 122.285 121.223 -0.201 0.000 2.261 44 L HA 0.249 4.242 4.340 -0.578 0.000 0.289 44 L C -1.497 175.260 176.870 -0.187 0.000 1.059 44 L CA -0.017 54.777 54.840 -0.075 0.000 0.816 44 L CB 0.154 42.178 42.059 -0.057 0.000 1.191 44 L HN 0.509 nan 8.230 nan 0.000 0.431 45 W N 6.138 127.449 121.300 0.018 0.000 1.836 45 W HA 0.290 4.605 4.660 -0.575 0.000 0.449 45 W C 0.928 177.363 176.519 -0.140 0.000 0.787 45 W CA -0.127 57.182 57.345 -0.059 0.000 1.729 45 W CB -0.143 29.333 29.460 0.026 0.000 1.802 45 W HN 0.804 nan 8.180 nan 0.000 0.257 46 N N -0.651 118.025 118.700 -0.039 0.000 2.143 46 N HA 0.022 4.415 4.740 -0.578 0.000 0.229 46 N C -0.048 175.416 175.510 -0.077 0.000 1.294 46 N CA -0.421 52.600 53.050 -0.049 0.000 0.883 46 N CB 0.361 38.830 38.487 -0.029 0.000 1.148 46 N HN 0.011 nan 8.380 nan 0.000 0.511 47 Q N 2.297 122.033 119.800 -0.107 0.000 2.290 47 Q HA 0.385 4.378 4.340 -0.578 0.000 0.259 47 Q C -2.552 173.402 176.000 -0.076 0.000 0.941 47 Q CA -1.802 53.946 55.803 -0.091 0.000 0.912 47 Q CB 1.995 30.668 28.738 -0.110 0.000 1.244 47 Q HN 0.272 nan 8.270 nan 0.000 0.441 48 P HA 0.104 nan 4.420 nan 0.000 0.276 48 P C 0.126 177.410 177.300 -0.026 0.000 1.235 48 P CA 0.013 63.088 63.100 -0.041 0.000 0.772 48 P CB 0.988 32.672 31.700 -0.027 0.000 0.871 49 G N 3.892 112.685 108.800 -0.011 0.000 2.525 49 G HA2 0.168 3.781 3.960 -0.578 0.000 0.276 49 G HA3 0.168 3.781 3.960 -0.578 0.000 0.276 49 G C -1.489 173.402 174.900 -0.015 0.000 1.388 49 G CA -0.917 44.179 45.100 -0.007 0.000 1.050 49 G HN 0.275 nan 8.290 nan 0.000 0.520 50 P HA -0.006 nan 4.420 nan 0.000 0.222 50 P C 0.788 178.083 177.300 -0.008 0.000 1.147 50 P CA 1.401 64.487 63.100 -0.023 0.000 0.790 50 P CB 0.157 31.834 31.700 -0.037 0.000 0.780 51 D N -2.577 117.824 120.400 0.003 0.000 2.340 51 D HA 0.147 4.440 4.640 -0.578 0.000 0.217 51 D C 1.448 177.761 176.300 0.021 0.000 1.081 51 D CA 0.360 54.369 54.000 0.015 0.000 0.842 51 D CB -0.653 40.162 40.800 0.026 0.000 0.934 51 D HN 0.189 nan 8.370 nan 0.000 0.511 52 G N -0.067 108.741 108.800 0.013 0.000 2.253 52 G HA2 -0.285 3.328 3.960 -0.578 0.000 0.251 52 G HA3 -0.285 3.328 3.960 -0.578 0.000 0.251 52 G C 0.240 175.149 174.900 0.015 0.000 0.998 52 G CA -0.045 45.065 45.100 0.015 0.000 0.621 52 G HN 0.417 nan 8.290 nan 0.000 0.524 53 N N -0.201 118.510 118.700 0.019 0.000 2.476 53 N HA 0.633 5.026 4.740 -0.578 0.000 0.275 53 N C 1.654 177.148 175.510 -0.026 0.000 1.190 53 N CA -0.306 52.750 53.050 0.009 0.000 0.977 53 N CB 1.161 39.674 38.487 0.044 0.000 1.200 53 N HN 0.099 nan 8.380 nan 0.000 0.515 54 I N -0.131 120.375 120.570 -0.106 0.000 2.339 54 I HA 0.007 3.830 4.170 -0.578 0.000 0.245 54 I C 0.045 176.010 176.117 -0.254 0.000 1.096 54 I CA 1.019 62.171 61.300 -0.245 0.000 1.408 54 I CB 0.088 37.782 38.000 -0.510 0.000 1.092 54 I HN 0.261 nan 8.210 nan 0.000 0.423 55 F N 0.523 120.519 119.950 0.078 0.000 2.507 55 F HA 0.346 4.527 4.527 -0.578 0.000 0.327 55 F C 0.485 176.308 175.800 0.039 0.000 1.068 55 F CA -1.792 56.219 58.000 0.018 0.000 0.965 55 F CB 0.706 39.665 39.000 -0.068 0.000 1.192 55 F HN 0.052 nan 8.300 nan 0.000 0.476 56 C N 0.139 119.590 119.300 0.253 0.000 2.398 56 C HA 0.901 5.014 4.460 -0.578 0.000 0.364 56 C C 0.693 175.825 174.990 0.237 0.000 1.219 56 C CA -0.742 58.380 59.018 0.173 0.000 2.312 56 C CB 0.341 28.128 27.740 0.078 0.000 2.428 56 C HN 1.028 nan 8.230 nan 0.000 0.564 57 G N 1.336 110.251 108.800 0.191 0.000 2.580 57 G HA2 0.449 4.062 3.960 -0.578 0.000 0.278 57 G HA3 0.449 4.062 3.960 -0.578 0.000 0.278 57 G C 0.443 175.506 174.900 0.272 0.000 1.212 57 G CA -0.945 44.266 45.100 0.186 0.000 0.939 57 G HN 0.864 nan 8.290 nan 0.000 0.513 58 M N -0.348 119.351 119.600 0.164 0.000 2.492 58 M HA 0.070 4.203 4.480 -0.578 0.000 0.262 58 M C 1.798 178.198 176.300 0.166 0.000 1.090 58 M CA 0.585 55.989 55.300 0.173 0.000 1.110 58 M CB -0.092 32.482 32.600 -0.044 0.000 1.407 58 M HN 0.243 nan 8.290 nan 0.000 0.470 59 L N 0.278 121.569 121.223 0.114 0.000 2.529 59 L HA 0.011 4.004 4.340 -0.578 0.000 0.223 59 L C 0.676 177.594 176.870 0.081 0.000 1.113 59 L CA 1.102 55.992 54.840 0.084 0.000 0.861 59 L CB -0.351 41.746 42.059 0.062 0.000 1.012 59 L HN 0.437 nan 8.230 nan 0.000 0.461 60 N N -1.526 117.231 118.700 0.096 0.000 2.646 60 N HA 0.234 4.627 4.740 -0.578 0.000 0.303 60 N C -2.788 172.753 175.510 0.052 0.000 1.921 60 N CA -1.104 51.985 53.050 0.065 0.000 0.872 60 N CB 0.394 38.915 38.487 0.057 0.000 1.327 60 N HN -0.089 nan 8.380 nan 0.000 0.492 61 P HA 0.126 nan 4.420 nan 0.000 0.268 61 P C -0.891 176.353 177.300 -0.093 0.000 1.205 61 P CA 0.452 63.506 63.100 -0.077 0.000 0.771 61 P CB 1.281 32.925 31.700 -0.093 0.000 0.858 62 D N 1.260 121.577 120.400 -0.138 0.000 2.958 62 D HA 0.127 4.420 4.640 -0.578 0.000 0.306 62 D C 1.038 177.266 176.300 -0.120 0.000 1.226 62 D CA -0.724 53.214 54.000 -0.104 0.000 1.032 62 D CB 0.187 40.939 40.800 -0.079 0.000 1.400 62 D HN 0.294 nan 8.370 nan 0.000 0.587 63 K N -0.149 120.177 120.400 -0.123 0.000 2.281 63 K HA -0.098 3.875 4.320 -0.578 0.000 0.203 63 K C 1.579 178.200 176.600 0.035 0.000 1.046 63 K CA 0.907 57.128 56.287 -0.110 0.000 0.938 63 K CB -0.130 32.215 32.500 -0.259 0.000 0.737 63 K HN 0.183 nan 8.250 nan 0.000 0.458 64 R N 1.126 121.656 120.500 0.050 0.000 2.189 64 R HA -0.040 3.953 4.340 -0.578 0.000 0.223 64 R C 2.395 178.790 176.300 0.157 0.000 1.092 64 R CA 1.370 57.664 56.100 0.324 0.000 0.989 64 R CB -0.124 30.373 30.300 0.327 0.000 0.876 64 R HN 0.492 nan 8.270 nan 0.000 0.457 65 S N -0.305 115.331 115.700 -0.107 0.000 2.461 65 S HA -0.023 4.100 4.470 -0.578 0.000 0.228 65 S C 0.840 175.384 174.600 -0.092 0.000 1.005 65 S CA 0.210 58.179 58.200 -0.385 0.000 0.942 65 S CB 0.136 62.592 63.200 -1.239 0.000 0.776 65 S HN 0.182 nan 8.310 nan 0.000 0.514 66 S N -0.229 115.492 115.700 0.035 0.000 2.548 66 S HA 0.508 4.631 4.470 -0.578 0.000 0.286 66 S C -1.124 173.592 174.600 0.193 0.000 1.098 66 S CA -0.882 57.404 58.200 0.143 0.000 0.930 66 S CB 0.932 64.195 63.200 0.104 0.000 1.070 66 S HN 0.506 nan 8.310 nan 0.000 0.480 67 W N 4.405 125.742 121.300 0.062 0.000 2.433 67 W HA 0.336 4.648 4.660 -0.580 0.000 0.331 67 W C -1.257 175.341 176.519 0.131 0.000 1.110 67 W CA -0.971 56.404 57.345 0.050 0.000 1.450 67 W CB -0.473 29.076 29.460 0.149 0.000 1.348 67 W HN 0.853 nan 8.180 nan 0.000 0.415 68 F N 3.745 123.542 119.950 -0.255 0.000 2.738 68 F HA -0.340 3.841 4.527 -0.578 0.000 0.232 68 F C 0.428 176.202 175.800 -0.043 0.000 1.025 68 F CA 1.119 58.987 58.000 -0.220 0.000 0.895 68 F CB -0.972 37.785 39.000 -0.405 0.000 0.839 68 F HN 0.153 nan 8.300 nan 0.000 0.850 69 K N 0.594 121.051 120.400 0.095 0.000 2.350 69 K HA 0.482 4.455 4.320 -0.578 0.000 0.241 69 K C 0.650 177.289 176.600 0.065 0.000 0.994 69 K CA -0.727 55.618 56.287 0.097 0.000 0.839 69 K CB 1.193 33.753 32.500 0.101 0.000 1.244 69 K HN 0.145 nan 8.250 nan 0.000 0.443 70 N N 0.031 118.767 118.700 0.061 0.000 2.203 70 N HA 0.072 4.465 4.740 -0.578 0.000 0.207 70 N C -0.205 175.327 175.510 0.037 0.000 1.130 70 N CA -0.304 52.772 53.050 0.044 0.000 0.861 70 N CB 0.730 39.243 38.487 0.043 0.000 1.005 70 N HN 0.410 nan 8.380 nan 0.000 0.507 71 R N -0.199 120.328 120.500 0.045 0.000 2.644 71 R HA 0.209 4.202 4.340 -0.578 0.000 0.257 71 R C -1.233 175.100 176.300 0.054 0.000 1.082 71 R CA -0.426 55.700 56.100 0.044 0.000 0.927 71 R CB 0.854 31.187 30.300 0.055 0.000 1.258 71 R HN 0.224 nan 8.270 nan 0.000 0.459 72 T N -0.255 114.323 114.554 0.040 0.000 2.828 72 T HA 0.380 4.383 4.350 -0.578 0.000 0.290 72 T C -0.106 174.659 174.700 0.108 0.000 1.019 72 T CA -0.483 61.645 62.100 0.046 0.000 1.031 72 T CB 1.179 70.045 68.868 -0.003 0.000 1.001 72 T HN 0.548 nan 8.240 nan 0.000 0.531 73 E N -0.228 120.070 120.200 0.164 0.000 2.317 73 E HA 0.562 4.565 4.350 -0.578 0.000 0.270 73 E C -0.755 176.002 176.600 0.261 0.000 0.885 73 E CA -1.287 55.249 56.400 0.227 0.000 0.760 73 E CB 2.215 32.075 29.700 0.266 0.000 1.227 73 E HN 0.922 nan 8.360 nan 0.000 0.434 74 A N 3.169 126.138 122.820 0.249 0.000 2.425 74 A HA 0.390 4.364 4.320 -0.578 0.000 0.249 74 A C -2.236 175.487 177.584 0.232 0.000 1.084 74 A CA -1.039 51.126 52.037 0.214 0.000 0.781 74 A CB -0.312 18.780 19.000 0.152 0.000 1.019 74 A HN 0.296 nan 8.150 nan 0.000 0.490 75 P HA 0.125 nan 4.420 nan 0.000 0.266 75 P C -0.244 177.122 177.300 0.109 0.000 1.195 75 P CA -0.320 62.830 63.100 0.083 0.000 0.768 75 P CB 0.298 31.986 31.700 -0.019 0.000 0.838 76 L N 3.388 124.649 121.223 0.064 0.000 2.628 76 L HA 0.161 4.154 4.340 -0.578 0.000 0.274 76 L C 1.419 178.350 176.870 0.102 0.000 1.209 76 L CA 2.188 57.056 54.840 0.048 0.000 0.930 76 L CB -1.161 40.774 42.059 -0.207 0.000 1.183 76 L HN 0.800 nan 8.230 nan 0.000 0.492 77 G N 2.205 111.133 108.800 0.213 0.000 2.213 77 G HA2 -0.266 3.347 3.960 -0.578 0.000 0.226 77 G HA3 -0.266 3.347 3.960 -0.578 0.000 0.226 77 G C 0.608 175.609 174.900 0.169 0.000 0.992 77 G CA 0.415 45.611 45.100 0.160 0.000 0.632 77 G HN 1.181 nan 8.290 nan 0.000 0.511 78 S N -0.498 115.332 115.700 0.216 0.000 2.663 78 S HA 0.481 4.604 4.470 -0.578 0.000 0.243 78 S C 1.391 176.160 174.600 0.282 0.000 1.009 78 S CA 0.579 58.974 58.200 0.325 0.000 0.988 78 S CB -0.048 63.271 63.200 0.199 0.000 0.896 78 S HN 0.661 nan 8.310 nan 0.000 0.502 79 F N 2.639 122.626 119.950 0.062 0.000 2.120 79 F HA 0.016 4.194 4.527 -0.580 0.000 0.300 79 F C 1.693 177.419 175.800 -0.123 0.000 1.095 79 F CA 1.610 59.606 58.000 -0.006 0.000 1.249 79 F CB -0.261 38.727 39.000 -0.019 0.000 0.995 79 F HN 0.239 nan 8.300 nan 0.000 0.480 80 L N -1.229 119.869 121.223 -0.208 0.000 2.349 80 L HA -0.233 3.760 4.340 -0.578 0.000 0.220 80 L C 1.711 178.097 176.870 -0.807 0.000 1.130 80 L CA 0.847 55.286 54.840 -0.669 0.000 0.791 80 L CB -0.534 40.783 42.059 -1.237 0.000 0.918 80 L HN 0.411 nan 8.230 nan 0.000 0.444 81 W N -2.461 118.784 121.300 -0.093 0.000 3.097 81 W HA 0.159 4.656 4.660 -0.271 0.000 0.245 81 W C 1.372 177.823 176.519 -0.113 0.000 1.120 81 W CA -0.222 57.068 57.345 -0.093 0.000 1.468 81 W CB 0.248 29.664 29.460 -0.074 0.000 0.851 81 W HN 0.015 nan 8.180 nan 0.000 0.692 82 L N 0.732 122.009 121.223 0.091 0.000 2.607 82 L HA 0.054 4.047 4.340 -0.578 0.000 0.228 82 L C 1.602 178.411 176.870 -0.101 0.000 1.123 82 L CA 1.235 56.087 54.840 0.021 0.000 0.890 82 L CB -0.810 41.292 42.059 0.072 0.000 1.103 82 L HN -0.185 nan 8.230 nan 0.000 0.468 83 D N -0.909 119.305 120.400 -0.311 0.000 2.219 83 D HA -0.162 4.131 4.640 -0.578 0.000 0.205 83 D C 2.255 178.416 176.300 -0.232 0.000 0.970 83 D CA 0.758 54.485 54.000 -0.454 0.000 0.851 83 D CB 0.315 40.460 40.800 -1.093 0.000 0.943 83 D HN 0.074 nan 8.370 nan 0.000 0.488 84 V N 0.181 119.995 119.914 -0.165 0.000 2.720 84 V HA -0.146 3.627 4.120 -0.578 0.000 0.256 84 V C 2.101 178.169 176.094 -0.044 0.000 1.082 84 V CA 1.819 64.066 62.300 -0.088 0.000 1.101 84 V CB -0.109 31.680 31.823 -0.057 0.000 0.693 84 V HN 0.369 nan 8.190 nan 0.000 0.479 85 V N -2.089 117.808 119.914 -0.029 0.000 3.649 85 V HA 0.228 4.001 4.120 -0.578 0.000 0.275 85 V C 0.873 176.968 176.094 0.002 0.000 1.281 85 V CA 0.028 62.328 62.300 -0.001 0.000 1.143 85 V CB -1.531 30.306 31.823 0.023 0.000 0.892 85 V HN 0.579 nan 8.190 nan 0.000 0.441 86 N N 1.906 120.600 118.700 -0.010 0.000 2.479 86 N HA 0.385 4.778 4.740 -0.578 0.000 0.257 86 N C -0.267 175.245 175.510 0.002 0.000 1.232 86 N CA -0.039 53.014 53.050 0.004 0.000 0.920 86 N CB 0.364 38.855 38.487 0.008 0.000 1.105 86 N HN 0.299 nan 8.380 nan 0.000 0.444 87 R N 0.931 121.434 120.500 0.005 0.000 2.764 87 R HA 0.356 4.349 4.340 -0.578 0.000 0.270 87 R C -1.115 175.188 176.300 0.004 0.000 1.014 87 R CA -0.896 55.205 56.100 0.001 0.000 0.904 87 R CB 0.635 30.930 30.300 -0.008 0.000 1.236 87 R HN 0.554 nan 8.270 nan 0.000 0.466 88 N N 1.638 120.340 118.700 0.003 0.000 2.525 88 N HA 0.435 4.828 4.740 -0.578 0.000 0.271 88 N C 0.136 175.642 175.510 -0.008 0.000 1.194 88 N CA -0.032 53.022 53.050 0.006 0.000 0.964 88 N CB 0.869 39.361 38.487 0.008 0.000 1.126 88 N HN 0.442 nan 8.380 nan 0.000 0.452 89 I N -2.491 118.075 120.570 -0.007 0.000 2.994 89 I HA 0.480 4.303 4.170 -0.578 0.000 0.306 89 I C -1.005 175.103 176.117 -0.015 0.000 1.195 89 I CA -1.113 60.172 61.300 -0.025 0.000 1.001 89 I CB 2.203 40.180 38.000 -0.039 0.000 1.244 89 I HN 0.018 nan 8.210 nan 0.000 0.437 90 D N 4.138 124.520 120.400 -0.030 0.000 2.350 90 D HA 0.302 4.595 4.640 -0.578 0.000 0.249 90 D C -2.417 173.887 176.300 0.007 0.000 1.119 90 D CA -1.052 52.944 54.000 -0.007 0.000 0.886 90 D CB 0.906 41.695 40.800 -0.018 0.000 1.195 90 D HN 0.353 nan 8.370 nan 0.000 0.437 91 P HA 0.026 nan 4.420 nan 0.000 0.263 91 P C -1.019 176.243 177.300 -0.064 0.000 1.195 91 P CA 0.448 63.583 63.100 0.059 0.000 0.762 91 P CB 0.134 31.971 31.700 0.228 0.000 0.799 92 Y N 2.442 122.341 120.300 -0.669 0.000 2.615 92 Y HA 0.575 4.778 4.550 -0.579 0.000 0.341 92 Y C -0.627 174.382 175.900 -1.485 0.000 1.089 92 Y CA -1.445 56.152 58.100 -0.839 0.000 1.049 92 Y CB 1.398 39.643 38.460 -0.358 0.000 1.296 92 Y HN 0.329 nan 8.280 nan 0.000 0.470 93 A N 2.777 124.563 122.820 -1.723 0.000 3.051 93 A HA 0.443 4.416 4.320 -0.578 0.000 0.257 93 A C 0.655 178.037 177.584 -0.336 0.000 1.785 93 A CA 0.421 51.717 52.037 -1.236 0.000 1.420 93 A CB -1.669 16.892 19.000 -0.732 0.000 1.063 93 A HN 0.949 nan 8.150 nan 0.000 0.630 94 G N -0.904 107.898 108.800 0.004 0.000 2.683 94 G HA2 0.279 3.892 3.960 -0.578 0.000 0.260 94 G HA3 0.279 3.892 3.960 -0.578 0.000 0.260 94 G C 0.995 176.263 174.900 0.615 0.000 1.238 94 G CA 0.243 45.622 45.100 0.466 0.000 0.934 94 G HN 0.599 nan 8.290 nan 0.000 0.534 95 V N -0.525 119.598 119.914 0.348 0.000 2.878 95 V HA 0.255 4.028 4.120 -0.578 0.000 0.250 95 V C 0.713 176.883 176.094 0.127 0.000 1.075 95 V CA 0.623 62.995 62.300 0.120 0.000 1.096 95 V CB -0.239 31.314 31.823 -0.450 0.000 0.724 95 V HN 0.410 nan 8.190 nan 0.000 0.467 96 L N 1.135 122.474 121.223 0.194 0.000 2.313 96 L HA 0.614 4.607 4.340 -0.578 0.000 0.283 96 L C -1.022 176.005 176.870 0.263 0.000 1.013 96 L CA -0.123 54.844 54.840 0.212 0.000 0.816 96 L CB 1.468 43.697 42.059 0.285 0.000 1.236 96 L HN 0.085 nan 8.230 nan 0.000 0.419 97 D N 3.876 124.394 120.400 0.196 0.000 2.391 97 D HA 0.313 4.606 4.640 -0.578 0.000 0.245 97 D C -0.910 175.443 176.300 0.089 0.000 1.069 97 D CA -0.361 53.745 54.000 0.177 0.000 0.831 97 D CB 1.338 42.151 40.800 0.023 0.000 1.204 97 D HN 0.519 nan 8.370 nan 0.000 0.503 98 R N 4.059 124.572 120.500 0.022 0.000 2.215 98 R HA 0.423 4.416 4.340 -0.578 0.000 0.337 98 R C -1.300 174.901 176.300 -0.165 0.000 1.010 98 R CA -0.602 55.346 56.100 -0.254 0.000 0.871 98 R CB 0.634 30.749 30.300 -0.309 0.000 1.134 98 R HN 0.202 nan 8.270 nan 0.000 0.477 99 V N 5.612 125.410 119.914 -0.193 0.000 2.364 99 V HA 0.200 3.973 4.120 -0.578 0.000 0.272 99 V C -0.192 175.674 176.094 -0.379 0.000 1.036 99 V CA -0.785 61.366 62.300 -0.249 0.000 0.880 99 V CB 1.197 32.876 31.823 -0.239 0.000 0.991 99 V HN 0.738 nan 8.190 nan 0.000 0.460 100 N N 4.924 123.414 118.700 -0.351 0.000 2.422 100 N HA 0.433 4.826 4.740 -0.578 0.000 0.266 100 N C -0.769 174.519 175.510 -0.371 0.000 1.007 100 N CA -0.139 52.747 53.050 -0.273 0.000 0.941 100 N CB 1.554 39.971 38.487 -0.116 0.000 1.115 100 N HN 0.554 nan 8.380 nan 0.000 0.492 101 Y N -0.081 120.210 120.300 -0.014 0.000 2.679 101 Y HA 0.068 4.271 4.550 -0.579 0.000 0.331 101 Y C 1.759 177.661 175.900 0.002 0.000 1.183 101 Y CA -0.874 57.211 58.100 -0.025 0.000 1.290 101 Y CB 0.632 39.039 38.460 -0.089 0.000 1.489 101 Y HN 0.415 nan 8.280 nan 0.000 0.583 102 D N -0.016 120.503 120.400 0.199 0.000 2.137 102 D HA -0.224 4.069 4.640 -0.578 0.000 0.189 102 D C 0.490 176.866 176.300 0.126 0.000 0.998 102 D CA 2.130 56.202 54.000 0.120 0.000 0.839 102 D CB 0.088 40.939 40.800 0.086 0.000 0.962 102 D HN 0.572 nan 8.370 nan 0.000 0.446 103 Q N -1.346 118.558 119.800 0.173 0.000 2.158 103 Q HA 0.319 4.312 4.340 -0.578 0.000 0.306 103 Q C -0.996 175.169 176.000 0.274 0.000 0.878 103 Q CA -0.366 55.558 55.803 0.201 0.000 1.136 103 Q CB 1.249 30.099 28.738 0.187 0.000 1.253 103 Q HN 0.201 nan 8.270 nan 0.000 0.441 104 M N 0.137 119.867 119.600 0.216 0.000 2.294 104 M HA 0.337 4.470 4.480 -0.578 0.000 0.280 104 M C -1.841 174.548 176.300 0.148 0.000 1.085 104 M CA -0.093 55.307 55.300 0.167 0.000 0.969 104 M CB 2.317 34.937 32.600 0.033 0.000 1.770 104 M HN -0.164 nan 8.290 nan 0.000 0.485 105 S N 3.211 118.993 115.700 0.137 0.000 2.474 105 S HA 0.795 4.918 4.470 -0.578 0.000 0.321 105 S C -1.087 173.576 174.600 0.106 0.000 1.080 105 S CA -0.652 57.580 58.200 0.053 0.000 1.106 105 S CB 1.152 64.372 63.200 0.034 0.000 0.984 105 S HN 0.561 nan 8.310 nan 0.000 0.464 106 V N 4.772 124.716 119.914 0.049 0.000 2.370 106 V HA 0.368 4.141 4.120 -0.578 0.000 0.283 106 V C -1.158 175.002 176.094 0.110 0.000 1.023 106 V CA -0.712 61.709 62.300 0.201 0.000 0.857 106 V CB 0.509 32.504 31.823 0.286 0.000 0.985 106 V HN 0.772 nan 8.190 nan 0.000 0.443 107 Y N 4.377 124.860 120.300 0.305 0.000 2.327 107 Y HA 0.605 4.810 4.550 -0.575 0.000 0.336 107 Y C 0.301 176.300 175.900 0.165 0.000 1.035 107 Y CA -0.645 57.603 58.100 0.246 0.000 1.165 107 Y CB 1.675 40.324 38.460 0.314 0.000 1.181 107 Y HN 0.541 nan 8.280 nan 0.000 0.494 108 V N 0.139 120.181 119.914 0.213 0.000 2.925 108 V HA 0.981 4.754 4.120 -0.578 0.000 0.311 108 V C 0.026 176.156 176.094 0.058 0.000 1.104 108 V CA -1.062 61.311 62.300 0.122 0.000 0.954 108 V CB 1.576 33.445 31.823 0.076 0.000 1.022 108 V HN 0.849 nan 8.190 nan 0.000 0.427 109 G N 2.543 111.359 108.800 0.027 0.000 2.476 109 G HA2 0.647 4.260 3.960 -0.578 0.000 0.269 109 G HA3 0.647 4.260 3.960 -0.578 0.000 0.269 109 G C -0.477 174.391 174.900 -0.053 0.000 1.195 109 G CA -0.809 44.287 45.100 -0.008 0.000 0.843 109 G HN 0.754 nan 8.290 nan 0.000 0.545 110 R N 0.601 121.078 120.500 -0.038 0.000 2.483 110 R HA 0.681 4.674 4.340 -0.578 0.000 0.303 110 R C 0.005 176.400 176.300 0.159 0.000 0.987 110 R CA -0.180 55.859 56.100 -0.102 0.000 0.881 110 R CB 1.445 31.496 30.300 -0.414 0.000 1.177 110 R HN 1.160 nan 8.270 nan 0.000 0.451 111 G N 0.286 109.178 108.800 0.152 0.000 2.368 111 G HA2 -0.047 3.566 3.960 -0.578 0.000 0.302 111 G HA3 -0.047 3.566 3.960 -0.578 0.000 0.302 111 G C -1.411 173.602 174.900 0.188 0.000 1.329 111 G CA -1.015 44.276 45.100 0.319 0.000 0.935 111 G HN 0.199 nan 8.290 nan 0.000 0.590 112 V N 1.640 121.678 119.914 0.207 0.000 2.409 112 V HA 0.460 4.233 4.120 -0.578 0.000 0.270 112 V C 1.598 177.737 176.094 0.075 0.000 1.019 112 V CA 2.238 64.600 62.300 0.103 0.000 1.066 112 V CB 0.095 31.970 31.823 0.086 0.000 1.021 112 V HN 2.578 nan 8.190 nan 0.000 0.476 113 G N 3.272 112.064 108.800 -0.014 0.000 2.296 113 G HA2 0.102 3.715 3.960 -0.578 0.000 0.188 113 G HA3 0.102 3.715 3.960 -0.578 0.000 0.188 113 G C 0.829 175.644 174.900 -0.141 0.000 1.000 113 G CA 0.136 45.175 45.100 -0.102 0.000 0.672 113 G HN 1.770 nan 8.290 nan 0.000 0.483 114 G N 0.018 108.783 108.800 -0.059 0.000 2.634 114 G HA2 0.064 3.677 3.960 -0.578 0.000 0.309 114 G HA3 0.064 3.677 3.960 -0.578 0.000 0.309 114 G C 1.744 176.622 174.900 -0.036 0.000 1.265 114 G CA 2.003 47.077 45.100 -0.043 0.000 0.998 114 G HN 1.840 nan 8.290 nan 0.000 0.551 115 G N 0.024 108.837 108.800 0.022 0.000 2.509 115 G HA2 0.157 3.770 3.960 -0.578 0.000 0.218 115 G HA3 0.157 3.770 3.960 -0.578 0.000 0.218 115 G C 2.141 177.064 174.900 0.039 0.000 1.124 115 G CA 2.097 47.234 45.100 0.061 0.000 0.776 115 G HN 1.910 nan 8.290 nan 0.000 0.547 116 S N 0.328 116.007 115.700 -0.036 0.000 2.442 116 S HA 0.025 4.148 4.470 -0.578 0.000 0.236 116 S C 2.227 176.735 174.600 -0.152 0.000 1.007 116 S CA 0.681 58.802 58.200 -0.133 0.000 0.965 116 S CB -0.271 62.678 63.200 -0.418 0.000 0.773 116 S HN 0.313 nan 8.310 nan 0.000 0.504 117 L N 1.271 122.394 121.223 -0.166 0.000 2.109 117 L HA 0.039 4.032 4.340 -0.578 0.000 0.207 117 L C 2.487 179.158 176.870 -0.331 0.000 1.086 117 L CA 1.198 55.882 54.840 -0.259 0.000 0.760 117 L CB -0.414 41.494 42.059 -0.252 0.000 0.910 117 L HN 0.498 nan 8.230 nan 0.000 0.437 118 V N -3.827 115.953 119.914 -0.223 0.000 3.578 118 V HA 0.152 3.925 4.120 -0.578 0.000 0.290 118 V C 0.871 176.864 176.094 -0.168 0.000 1.376 118 V CA -0.468 61.700 62.300 -0.220 0.000 1.083 118 V CB -1.062 30.661 31.823 -0.167 0.000 0.911 118 V HN 0.467 nan 8.190 nan 0.000 0.433 119 N N 0.796 119.443 118.700 -0.088 0.000 2.408 119 N HA 0.271 4.664 4.740 -0.578 0.000 0.260 119 N C 1.058 176.574 175.510 0.011 0.000 1.242 119 N CA 0.017 53.056 53.050 -0.019 0.000 0.959 119 N CB 1.570 40.124 38.487 0.111 0.000 1.201 119 N HN 0.135 nan 8.380 nan 0.000 0.511 120 G N -1.751 107.086 108.800 0.061 0.000 3.124 120 G HA2 0.228 3.841 3.960 -0.578 0.000 0.212 120 G HA3 0.228 3.841 3.960 -0.578 0.000 0.212 120 G C 1.063 176.059 174.900 0.161 0.000 1.181 120 G CA 0.067 45.217 45.100 0.082 0.000 0.803 120 G HN 1.050 nan 8.290 nan 0.000 0.529 121 G N -0.004 108.948 108.800 0.252 0.000 2.186 121 G HA2 -0.352 3.261 3.960 -0.578 0.000 0.266 121 G HA3 -0.352 3.261 3.960 -0.578 0.000 0.266 121 G C 0.600 175.729 174.900 0.382 0.000 0.982 121 G CA 0.462 45.782 45.100 0.368 0.000 0.670 121 G HN 0.469 nan 8.290 nan 0.000 0.533 122 M N 1.028 120.763 119.600 0.225 0.000 2.364 122 M HA 0.390 4.523 4.480 -0.578 0.000 0.342 122 M C 0.740 176.856 176.300 -0.307 0.000 1.601 122 M CA 0.707 56.030 55.300 0.037 0.000 1.156 122 M CB 0.700 33.329 32.600 0.048 0.000 1.912 122 M HN 0.416 nan 8.290 nan 0.000 0.460 123 A N 5.381 128.066 122.820 -0.226 0.000 2.273 123 A HA 0.654 4.628 4.320 -0.578 0.000 0.320 123 A C -0.551 176.871 177.584 -0.271 0.000 1.358 123 A CA -0.593 51.207 52.037 -0.395 0.000 0.910 123 A CB 0.363 19.330 19.000 -0.054 0.000 1.159 123 A HN 0.617 nan 8.150 nan 0.000 0.526 124 V N 2.300 121.999 119.914 -0.359 0.000 2.735 124 V HA 0.398 4.171 4.120 -0.578 0.000 0.310 124 V C -0.151 175.736 176.094 -0.345 0.000 1.061 124 V CA -0.796 61.326 62.300 -0.297 0.000 0.913 124 V CB 1.983 33.604 31.823 -0.337 0.000 1.005 124 V HN 0.913 nan 8.190 nan 0.000 0.428 125 E N 4.634 124.620 120.200 -0.356 0.000 2.216 125 E HA 0.401 4.404 4.350 -0.578 0.000 0.279 125 E C -2.418 173.937 176.600 -0.409 0.000 0.997 125 E CA -1.653 54.427 56.400 -0.533 0.000 0.817 125 E CB 1.786 31.093 29.700 -0.654 0.000 1.096 125 E HN 0.514 nan 8.360 nan 0.000 0.393 126 P HA 0.078 nan 4.420 nan 0.000 0.274 126 P C -0.830 176.447 177.300 -0.038 0.000 1.231 126 P CA -0.410 62.586 63.100 -0.173 0.000 0.790 126 P CB 0.782 32.516 31.700 0.055 0.000 0.951 127 K N 1.284 121.652 120.400 -0.054 0.000 2.448 127 K HA -0.000 3.973 4.320 -0.578 0.000 0.278 127 K C 1.738 178.417 176.600 0.132 0.000 1.009 127 K CA 0.157 56.455 56.287 0.018 0.000 0.995 127 K CB 0.175 32.703 32.500 0.047 0.000 0.917 127 K HN 0.341 nan 8.250 nan 0.000 0.481 128 R N 1.648 122.110 120.500 -0.065 0.000 2.081 128 R HA -0.184 3.809 4.340 -0.578 0.000 0.235 128 R C 1.706 178.064 176.300 0.095 0.000 1.131 128 R CA 2.161 58.149 56.100 -0.187 0.000 0.960 128 R CB -0.174 29.732 30.300 -0.658 0.000 0.856 128 R HN 0.838 nan 8.270 nan 0.000 0.436 129 S N -0.636 115.117 115.700 0.087 0.000 2.400 129 S HA -0.216 3.907 4.470 -0.578 0.000 0.232 129 S C 1.886 176.624 174.600 0.231 0.000 1.025 129 S CA 1.095 59.379 58.200 0.141 0.000 0.993 129 S CB -0.644 62.634 63.200 0.130 0.000 0.808 129 S HN 0.519 nan 8.310 nan 0.000 0.478 130 Y N 1.260 121.659 120.300 0.166 0.000 2.243 130 Y HA 0.124 4.328 4.550 -0.577 0.000 0.293 130 Y C 1.987 177.997 175.900 0.183 0.000 1.124 130 Y CA 0.455 58.670 58.100 0.192 0.000 1.159 130 Y CB -0.750 37.826 38.460 0.195 0.000 1.008 130 Y HN 0.290 nan 8.280 nan 0.000 0.527 131 F N 1.236 121.240 119.950 0.090 0.000 2.126 131 F HA -0.227 3.952 4.527 -0.579 0.000 0.299 131 F C 2.089 177.890 175.800 0.003 0.000 1.096 131 F CA 2.257 60.296 58.000 0.065 0.000 1.255 131 F CB -0.264 38.909 39.000 0.288 0.000 0.997 131 F HN 0.115 nan 8.300 nan 0.000 0.479 132 E N -0.339 119.974 120.200 0.189 0.000 2.150 132 E HA -0.242 3.761 4.350 -0.578 0.000 0.193 132 E C 2.118 178.678 176.600 -0.067 0.000 0.985 132 E CA 1.168 57.614 56.400 0.076 0.000 0.814 132 E CB -0.258 29.517 29.700 0.126 0.000 0.752 132 E HN 0.599 nan 8.360 nan 0.000 0.466 133 E N 1.105 121.241 120.200 -0.106 0.000 2.046 133 E HA -0.171 3.832 4.350 -0.578 0.000 0.190 133 E C 2.264 178.719 176.600 -0.242 0.000 0.982 133 E CA 1.168 57.481 56.400 -0.145 0.000 0.800 133 E CB -0.064 29.561 29.700 -0.125 0.000 0.756 133 E HN 0.393 nan 8.360 nan 0.000 0.449 134 I N -1.642 118.684 120.570 -0.407 0.000 2.617 134 I HA 0.000 3.823 4.170 -0.578 0.000 0.256 134 I C 0.807 176.723 176.117 -0.336 0.000 1.167 134 I CA 0.806 61.873 61.300 -0.390 0.000 1.469 134 I CB 0.150 37.853 38.000 -0.494 0.000 1.098 134 I HN -0.052 nan 8.210 nan 0.000 0.436 135 L N 2.587 123.564 121.223 -0.409 0.000 2.551 135 L HA 0.379 4.372 4.340 -0.578 0.000 0.248 135 L C -1.742 174.976 176.870 -0.253 0.000 1.509 135 L CA -1.091 53.526 54.840 -0.371 0.000 0.842 135 L CB 1.070 42.786 42.059 -0.572 0.000 1.087 135 L HN -0.095 nan 8.230 nan 0.000 0.512 136 P HA -0.146 nan 4.420 nan 0.000 0.223 136 P C 1.058 178.329 177.300 -0.048 0.000 1.144 136 P CA 1.106 64.160 63.100 -0.076 0.000 0.783 136 P CB 0.249 31.913 31.700 -0.059 0.000 0.771 137 R N -0.588 119.869 120.500 -0.072 0.000 2.276 137 R HA 0.146 4.139 4.340 -0.578 0.000 0.196 137 R C 0.593 176.862 176.300 -0.052 0.000 0.961 137 R CA 0.059 56.127 56.100 -0.053 0.000 1.024 137 R CB 0.026 30.286 30.300 -0.067 0.000 0.940 137 R HN 0.089 nan 8.270 nan 0.000 0.480 138 V N 1.721 121.601 119.914 -0.057 0.000 2.567 138 V HA 0.033 3.806 4.120 -0.578 0.000 0.289 138 V C -0.104 176.054 176.094 0.106 0.000 1.049 138 V CA -0.848 61.445 62.300 -0.012 0.000 0.969 138 V CB 1.577 33.395 31.823 -0.007 0.000 0.995 138 V HN 0.017 nan 8.190 nan 0.000 0.471 139 D N 2.785 123.258 120.400 0.122 0.000 2.344 139 D HA 0.090 4.383 4.640 -0.578 0.000 0.253 139 D C 1.361 177.797 176.300 0.228 0.000 1.255 139 D CA 0.431 54.525 54.000 0.157 0.000 0.894 139 D CB 1.270 42.153 40.800 0.138 0.000 1.067 139 D HN 0.632 nan 8.370 nan 0.000 0.492 140 S N 1.805 117.673 115.700 0.280 0.000 2.423 140 S HA -0.147 3.976 4.470 -0.578 0.000 0.231 140 S C 1.859 176.639 174.600 0.299 0.000 1.014 140 S CA 0.713 59.127 58.200 0.357 0.000 0.965 140 S CB -0.070 63.371 63.200 0.402 0.000 0.785 140 S HN 0.322 nan 8.310 nan 0.000 0.495 141 S N 2.171 117.991 115.700 0.201 0.000 2.356 141 S HA -0.095 4.028 4.470 -0.578 0.000 0.223 141 S C 1.891 176.571 174.600 0.134 0.000 1.032 141 S CA 1.402 59.697 58.200 0.158 0.000 1.005 141 S CB -0.418 62.844 63.200 0.102 0.000 0.867 141 S HN 0.677 nan 8.310 nan 0.000 0.449 142 E N 0.517 120.791 120.200 0.124 0.000 2.110 142 E HA -0.104 3.899 4.350 -0.578 0.000 0.193 142 E C 2.059 178.694 176.600 0.059 0.000 0.988 142 E CA 0.905 57.358 56.400 0.088 0.000 0.804 142 E CB -0.124 29.700 29.700 0.207 0.000 0.745 142 E HN 0.363 nan 8.360 nan 0.000 0.458 143 M N -0.413 119.234 119.600 0.079 0.000 2.077 143 M HA -0.133 4.000 4.480 -0.578 0.000 0.261 143 M C 2.014 178.183 176.300 -0.219 0.000 1.070 143 M CA 1.624 56.818 55.300 -0.177 0.000 1.125 143 M CB -0.927 31.352 32.600 -0.535 0.000 1.339 143 M HN 0.173 nan 8.290 nan 0.000 0.409 144 Y N 0.753 121.100 120.300 0.079 0.000 2.373 144 Y HA -0.173 4.029 4.550 -0.579 0.000 0.293 144 Y C 2.143 178.089 175.900 0.077 0.000 1.129 144 Y CA 0.998 59.200 58.100 0.171 0.000 1.226 144 Y CB -0.316 38.192 38.460 0.079 0.000 1.000 144 Y HN 0.317 nan 8.280 nan 0.000 0.549 145 D N -1.155 119.311 120.400 0.110 0.000 2.262 145 D HA 0.001 4.294 4.640 -0.578 0.000 0.212 145 D C 2.039 178.301 176.300 -0.063 0.000 0.964 145 D CA 0.847 54.867 54.000 0.032 0.000 0.875 145 D CB 0.049 40.860 40.800 0.019 0.000 0.996 145 D HN 0.252 nan 8.370 nan 0.000 0.497 146 R N -1.151 119.233 120.500 -0.194 0.000 2.144 146 R HA 0.028 4.021 4.340 -0.578 0.000 0.195 146 R C 1.912 177.978 176.300 -0.390 0.000 1.077 146 R CA 0.149 56.025 56.100 -0.372 0.000 1.120 146 R CB -0.030 29.877 30.300 -0.657 0.000 1.060 146 R HN -0.001 nan 8.270 nan 0.000 0.520 147 Y N -0.094 120.145 120.300 -0.100 0.000 2.220 147 Y HA -0.037 4.166 4.550 -0.579 0.000 0.291 147 Y C 1.928 177.736 175.900 -0.154 0.000 1.129 147 Y CA 0.990 58.992 58.100 -0.163 0.000 1.161 147 Y CB -0.481 37.819 38.460 -0.267 0.000 0.997 147 Y HN 0.010 nan 8.280 nan 0.000 0.522 148 F N -0.126 119.794 119.950 -0.049 0.000 2.102 148 F HA -0.082 4.098 4.527 -0.578 0.000 0.298 148 F C -0.435 175.345 175.800 -0.034 0.000 1.105 148 F CA 0.944 58.879 58.000 -0.107 0.000 1.239 148 F CB -2.077 36.754 39.000 -0.283 0.000 0.991 148 F HN 0.041 nan 8.300 nan 0.000 0.474 149 P HA -0.165 nan 4.420 nan 0.000 0.217 149 P C 1.614 178.965 177.300 0.086 0.000 1.150 149 P CA 1.617 64.775 63.100 0.096 0.000 0.832 149 P CB -0.111 31.618 31.700 0.048 0.000 0.787 150 R N -0.160 120.385 120.500 0.075 0.000 2.092 150 R HA -0.078 3.915 4.340 -0.578 0.000 0.231 150 R C 2.017 178.403 176.300 0.143 0.000 1.119 150 R CA 1.539 57.691 56.100 0.087 0.000 0.970 150 R CB -0.737 29.620 30.300 0.096 0.000 0.864 150 R HN 0.055 nan 8.270 nan 0.000 0.440 151 A N 1.343 124.277 122.820 0.189 0.000 1.873 151 A HA -0.162 3.811 4.320 -0.578 0.000 0.215 151 A C 1.783 179.507 177.584 0.235 0.000 1.186 151 A CA 1.515 53.707 52.037 0.258 0.000 0.616 151 A CB -0.595 18.558 19.000 0.255 0.000 0.823 151 A HN 0.397 nan 8.150 nan 0.000 0.442 152 N N 0.069 118.880 118.700 0.186 0.000 2.104 152 N HA -0.139 4.254 4.740 -0.578 0.000 0.190 152 N C 2.069 177.646 175.510 0.113 0.000 1.024 152 N CA 1.589 54.728 53.050 0.150 0.000 0.853 152 N CB -0.463 38.096 38.487 0.120 0.000 1.008 152 N HN 0.507 nan 8.380 nan 0.000 0.424 153 S N 0.348 116.098 115.700 0.084 0.000 2.355 153 S HA -0.003 4.120 4.470 -0.578 0.000 0.222 153 S C 1.875 176.468 174.600 -0.011 0.000 1.031 153 S CA 0.758 58.981 58.200 0.038 0.000 0.993 153 S CB -0.004 63.210 63.200 0.023 0.000 0.859 153 S HN 0.104 nan 8.310 nan 0.000 0.453 154 M N 0.882 120.455 119.600 -0.045 0.000 2.296 154 M HA 0.104 4.237 4.480 -0.578 0.000 0.265 154 M C 1.930 178.108 176.300 -0.203 0.000 1.064 154 M CA 0.987 56.143 55.300 -0.240 0.000 1.109 154 M CB -1.184 31.103 32.600 -0.520 0.000 1.396 154 M HN 0.364 nan 8.290 nan 0.000 0.430 155 L N -0.686 120.559 121.223 0.036 0.000 2.478 155 L HA -0.039 3.954 4.340 -0.578 0.000 0.223 155 L C 0.568 177.476 176.870 0.064 0.000 1.140 155 L CA 0.203 55.124 54.840 0.134 0.000 0.842 155 L CB -0.226 42.017 42.059 0.305 0.000 0.953 155 L HN 0.359 nan 8.230 nan 0.000 0.452 156 R N -0.891 119.627 120.500 0.030 0.000 3.527 156 R HA -0.115 3.878 4.340 -0.578 0.000 0.288 156 R C -0.325 176.002 176.300 0.044 0.000 1.146 156 R CA -0.154 55.956 56.100 0.016 0.000 0.778 156 R CB -2.364 27.922 30.300 -0.024 0.000 1.289 156 R HN 0.063 nan 8.270 nan 0.000 0.454 157 V N 1.691 121.652 119.914 0.078 0.000 2.673 157 V HA 0.049 3.822 4.120 -0.578 0.000 0.303 157 V C 0.899 177.030 176.094 0.061 0.000 1.046 157 V CA 0.844 63.186 62.300 0.070 0.000 1.126 157 V CB 0.942 32.809 31.823 0.072 0.000 0.934 157 V HN 0.581 nan 8.190 nan 0.000 0.487 158 N N 2.104 120.830 118.700 0.043 0.000 2.647 158 N HA 0.496 4.889 4.740 -0.578 0.000 0.266 158 N C -1.233 174.359 175.510 0.136 0.000 1.373 158 N CA -1.059 52.081 53.050 0.149 0.000 0.807 158 N CB 1.723 40.320 38.487 0.184 0.000 1.513 158 N HN 0.620 nan 8.380 nan 0.000 0.505 159 H N -0.082 119.136 119.070 0.248 0.000 2.529 159 H HA 0.390 4.599 4.556 -0.578 0.000 0.348 159 H C -0.505 174.823 175.328 -0.000 0.000 1.152 159 H CA -0.756 55.379 56.048 0.146 0.000 1.202 159 H CB 2.339 32.101 29.762 -0.001 0.000 1.562 159 H HN 0.462 nan 8.280 nan 0.000 0.515 160 I N 1.314 121.632 120.570 -0.420 0.000 2.638 160 I HA -0.059 3.764 4.170 -0.578 0.000 0.286 160 I C 0.149 176.063 176.117 -0.339 0.000 1.088 160 I CA -0.112 60.708 61.300 -0.801 0.000 1.397 160 I CB 0.606 37.834 38.000 -1.286 0.000 1.414 160 I HN 0.622 nan 8.210 nan 0.000 0.566 161 D N 3.793 124.112 120.400 -0.135 0.000 2.339 161 D HA 0.011 4.304 4.640 -0.578 0.000 0.256 161 D C 1.327 177.613 176.300 -0.022 0.000 1.214 161 D CA 0.122 54.100 54.000 -0.037 0.000 0.877 161 D CB 1.001 41.843 40.800 0.071 0.000 1.111 161 D HN 0.650 nan 8.370 nan 0.000 0.478 162 T N 1.267 115.712 114.554 -0.182 0.000 2.881 162 T HA -0.219 3.784 4.350 -0.578 0.000 0.270 162 T C 1.693 176.438 174.700 0.075 0.000 1.068 162 T CA 0.951 62.934 62.100 -0.196 0.000 1.131 162 T CB -0.082 68.568 68.868 -0.363 0.000 0.871 162 T HN 0.415 nan 8.240 nan 0.000 0.479 163 K N -0.557 119.898 120.400 0.091 0.000 2.076 163 K HA -0.032 3.941 4.320 -0.578 0.000 0.204 163 K C 2.084 178.798 176.600 0.190 0.000 1.051 163 K CA 0.858 57.219 56.287 0.124 0.000 0.949 163 K CB -0.344 32.215 32.500 0.097 0.000 0.726 163 K HN 0.516 nan 8.250 nan 0.000 0.443 164 W N 0.878 122.217 121.300 0.064 0.000 2.358 164 W HA -0.216 4.100 4.660 -0.574 0.000 0.303 164 W C 1.690 178.293 176.519 0.141 0.000 1.208 164 W CA 1.556 58.958 57.345 0.095 0.000 1.274 164 W CB -0.564 28.955 29.460 0.099 0.000 1.138 164 W HN 0.136 nan 8.180 nan 0.000 0.515 165 F N 1.821 121.786 119.950 0.024 0.000 2.126 165 F HA -0.234 3.948 4.527 -0.576 0.000 0.299 165 F C 2.167 177.884 175.800 -0.137 0.000 1.096 165 F CA 2.448 60.356 58.000 -0.154 0.000 1.255 165 F CB -0.626 38.324 39.000 -0.083 0.000 0.997 165 F HN -0.111 nan 8.300 nan 0.000 0.479 166 E N 0.237 120.420 120.200 -0.029 0.000 2.268 166 E HA -0.145 3.858 4.350 -0.578 0.000 0.195 166 E C 1.383 177.870 176.600 -0.188 0.000 0.995 166 E CA 1.603 57.943 56.400 -0.100 0.000 0.836 166 E CB -0.260 29.489 29.700 0.082 0.000 0.763 166 E HN 0.533 nan 8.360 nan 0.000 0.491 167 D N -1.305 118.978 120.400 -0.194 0.000 2.454 167 D HA 0.003 4.296 4.640 -0.578 0.000 0.214 167 D C 0.198 176.352 176.300 -0.242 0.000 1.088 167 D CA 0.174 54.072 54.000 -0.170 0.000 0.855 167 D CB 0.196 40.954 40.800 -0.070 0.000 1.025 167 D HN 0.018 nan 8.370 nan 0.000 0.502 168 T N 1.318 115.616 114.554 -0.426 0.000 2.901 168 T HA 0.022 4.025 4.350 -0.578 0.000 0.301 168 T C 1.441 175.963 174.700 -0.298 0.000 1.012 168 T CA -0.117 61.727 62.100 -0.426 0.000 1.135 168 T CB 1.386 69.704 68.868 -0.916 0.000 0.936 168 T HN 0.141 nan 8.240 nan 0.000 0.539 169 E N 3.094 123.153 120.200 -0.236 0.000 2.268 169 E HA -0.115 3.888 4.350 -0.578 0.000 0.195 169 E C 1.189 177.605 176.600 -0.307 0.000 0.995 169 E CA 0.837 57.061 56.400 -0.293 0.000 0.836 169 E CB -0.255 29.233 29.700 -0.354 0.000 0.763 169 E HN 0.851 nan 8.360 nan 0.000 0.491 170 W N -0.021 121.157 121.300 -0.202 0.000 2.468 170 W HA -0.026 4.293 4.660 -0.568 0.000 0.262 170 W C 0.690 177.010 176.519 -0.330 0.000 1.241 170 W CA 0.420 57.628 57.345 -0.229 0.000 1.232 170 W CB -0.061 29.255 29.460 -0.241 0.000 1.124 170 W HN 0.105 nan 8.180 nan 0.000 0.597 171 Y N -0.322 119.948 120.300 -0.050 0.000 2.716 171 Y HA 0.194 4.400 4.550 -0.572 0.000 0.260 171 Y C 1.865 177.445 175.900 -0.534 0.000 1.141 171 Y CA -0.368 57.548 58.100 -0.306 0.000 1.168 171 Y CB -0.149 38.028 38.460 -0.472 0.000 1.189 171 Y HN -0.176 nan 8.280 nan 0.000 0.549 172 K N 0.726 121.007 120.400 -0.198 0.000 2.103 172 K HA -0.161 3.812 4.320 -0.578 0.000 0.204 172 K C 1.758 178.252 176.600 -0.177 0.000 1.052 172 K CA 1.812 57.974 56.287 -0.209 0.000 0.945 172 K CB -0.214 32.192 32.500 -0.157 0.000 0.722 172 K HN 0.488 nan 8.250 nan 0.000 0.443 173 F N -0.213 119.670 119.950 -0.111 0.000 2.202 173 F HA -0.053 4.130 4.527 -0.573 0.000 0.301 173 F C 1.864 177.650 175.800 -0.023 0.000 1.082 173 F CA 0.841 58.783 58.000 -0.097 0.000 1.313 173 F CB -0.753 38.174 39.000 -0.121 0.000 1.024 173 F HN -0.047 nan 8.300 nan 0.000 0.495 174 A N 1.269 123.444 122.820 -1.076 0.000 1.897 174 A HA -0.034 3.939 4.320 -0.578 0.000 0.215 174 A C 2.369 179.830 177.584 -0.204 0.000 1.181 174 A CA 1.123 52.791 52.037 -0.615 0.000 0.620 174 A CB -0.672 18.029 19.000 -0.499 0.000 0.821 174 A HN 0.444 nan 8.150 nan 0.000 0.443 175 R N -0.498 119.862 120.500 -0.233 0.000 2.115 175 R HA -0.049 3.944 4.340 -0.578 0.000 0.230 175 R C 1.960 178.223 176.300 -0.063 0.000 1.111 175 R CA 1.254 57.281 56.100 -0.122 0.000 0.976 175 R CB -0.493 29.687 30.300 -0.200 0.000 0.870 175 R HN 0.394 nan 8.270 nan 0.000 0.445 176 V N 0.380 120.253 119.914 -0.069 0.000 2.295 176 V HA -0.234 3.539 4.120 -0.578 0.000 0.246 176 V C 2.142 178.253 176.094 0.028 0.000 1.049 176 V CA 1.956 64.248 62.300 -0.012 0.000 1.024 176 V CB -0.355 31.461 31.823 -0.012 0.000 0.648 176 V HN 0.269 nan 8.190 nan 0.000 0.447 177 S N -0.883 114.842 115.700 0.041 0.000 2.402 177 S HA -0.185 3.938 4.470 -0.578 0.000 0.229 177 S C 2.106 176.762 174.600 0.093 0.000 1.021 177 S CA 1.433 59.707 58.200 0.124 0.000 0.974 177 S CB -0.359 62.959 63.200 0.196 0.000 0.800 177 S HN 0.519 nan 8.310 nan 0.000 0.484 178 R N 1.292 121.814 120.500 0.036 0.000 2.092 178 R HA -0.058 3.935 4.340 -0.578 0.000 0.231 178 R C 2.288 178.597 176.300 0.016 0.000 1.119 178 R CA 1.230 57.335 56.100 0.008 0.000 0.970 178 R CB -0.155 30.137 30.300 -0.013 0.000 0.864 178 R HN 0.328 nan 8.270 nan 0.000 0.440 179 E N 0.331 120.547 120.200 0.027 0.000 2.072 179 E HA -0.192 3.811 4.350 -0.578 0.000 0.191 179 E C 1.708 178.336 176.600 0.046 0.000 0.985 179 E CA 1.139 57.560 56.400 0.036 0.000 0.801 179 E CB 0.129 29.855 29.700 0.044 0.000 0.750 179 E HN 0.396 nan 8.360 nan 0.000 0.452 180 Q N 0.184 120.019 119.800 0.058 0.000 2.020 180 Q HA -0.102 3.891 4.340 -0.578 0.000 0.202 180 Q C 2.194 178.216 176.000 0.036 0.000 0.982 180 Q CA 1.433 57.273 55.803 0.061 0.000 0.838 180 Q CB -0.537 28.250 28.738 0.081 0.000 0.899 180 Q HN 0.324 nan 8.270 nan 0.000 0.423 181 A N 1.081 123.919 122.820 0.030 0.000 1.940 181 A HA -0.106 3.867 4.320 -0.578 0.000 0.219 181 A C 2.369 179.940 177.584 -0.021 0.000 1.176 181 A CA 1.830 53.858 52.037 -0.014 0.000 0.631 181 A CB -1.136 17.849 19.000 -0.024 0.000 0.814 181 A HN 0.470 nan 8.150 nan 0.000 0.446 182 G N -0.341 108.455 108.800 -0.006 0.000 2.440 182 G HA2 -0.253 3.360 3.960 -0.578 0.000 0.218 182 G HA3 -0.253 3.360 3.960 -0.578 0.000 0.218 182 G C 1.644 176.544 174.900 -0.000 0.000 1.154 182 G CA 1.083 46.179 45.100 -0.006 0.000 0.767 182 G HN 0.573 nan 8.290 nan 0.000 0.552 183 K N 0.486 120.893 120.400 0.013 0.000 2.209 183 K HA 0.047 4.020 4.320 -0.578 0.000 0.204 183 K C 2.390 178.994 176.600 0.007 0.000 1.048 183 K CA 0.876 57.174 56.287 0.019 0.000 0.940 183 K CB -0.076 32.447 32.500 0.040 0.000 0.729 183 K HN 0.301 nan 8.250 nan 0.000 0.451 184 A N 0.303 123.118 122.820 -0.008 0.000 2.337 184 A HA 0.256 4.229 4.320 -0.578 0.000 0.227 184 A C 1.159 178.724 177.584 -0.032 0.000 1.259 184 A CA 0.578 52.602 52.037 -0.023 0.000 0.870 184 A CB -0.240 18.734 19.000 -0.043 0.000 0.927 184 A HN 0.378 nan 8.150 nan 0.000 0.497 185 G N -0.992 107.793 108.800 -0.025 0.000 2.153 185 G HA2 -0.234 3.379 3.960 -0.578 0.000 0.252 185 G HA3 -0.234 3.379 3.960 -0.578 0.000 0.252 185 G C 0.037 174.913 174.900 -0.039 0.000 0.994 185 G CA 0.601 45.685 45.100 -0.027 0.000 0.698 185 G HN 0.483 nan 8.290 nan 0.000 0.521 186 L N 0.017 121.209 121.223 -0.052 0.000 2.344 186 L HA 0.767 4.760 4.340 -0.578 0.000 0.272 186 L C 1.033 177.864 176.870 -0.064 0.000 1.035 186 L CA -0.446 54.351 54.840 -0.071 0.000 0.807 186 L CB 1.738 43.732 42.059 -0.109 0.000 1.237 186 L HN 0.181 nan 8.230 nan 0.000 0.442 187 G N -0.224 108.534 108.800 -0.070 0.000 2.454 187 G HA2 0.658 4.271 3.960 -0.578 0.000 0.329 187 G HA3 0.658 4.271 3.960 -0.578 0.000 0.329 187 G C -0.653 174.184 174.900 -0.106 0.000 1.177 187 G CA -0.340 44.717 45.100 -0.071 0.000 0.951 187 G HN 0.550 nan 8.290 nan 0.000 0.485 188 T N -2.425 112.053 114.554 -0.127 0.000 2.950 188 T HA 0.723 4.726 4.350 -0.578 0.000 0.288 188 T C -0.760 173.809 174.700 -0.218 0.000 1.035 188 T CA -0.979 61.007 62.100 -0.191 0.000 1.028 188 T CB 1.963 70.696 68.868 -0.225 0.000 1.109 188 T HN 0.991 nan 8.240 nan 0.000 0.514 189 V N 1.411 121.173 119.914 -0.253 0.000 2.841 189 V HA 0.602 4.375 4.120 -0.578 0.000 0.310 189 V C -1.464 174.476 176.094 -0.257 0.000 1.090 189 V CA -1.302 60.890 62.300 -0.179 0.000 0.930 189 V CB 1.601 33.422 31.823 -0.002 0.000 1.014 189 V HN 0.913 nan 8.190 nan 0.000 0.425 190 F N 4.709 124.603 119.950 -0.093 0.000 2.484 190 F HA 0.468 4.648 4.527 -0.579 0.000 0.360 190 F C 0.407 176.186 175.800 -0.036 0.000 1.101 190 F CA 0.104 58.016 58.000 -0.147 0.000 1.251 190 F CB 1.374 40.256 39.000 -0.197 0.000 1.132 190 F HN 0.225 nan 8.300 nan 0.000 0.570 191 V N 5.213 125.218 119.914 0.151 0.000 2.384 191 V HA 0.322 4.095 4.120 -0.578 0.000 0.287 191 V C -2.042 174.133 176.094 0.134 0.000 1.020 191 V CA -2.030 60.354 62.300 0.139 0.000 0.850 191 V CB 1.475 33.392 31.823 0.158 0.000 0.987 191 V HN 0.543 nan 8.190 nan 0.000 0.436 192 P HA 0.199 nan 4.420 nan 0.000 0.271 192 P C -0.533 176.827 177.300 0.099 0.000 1.233 192 P CA -0.110 62.956 63.100 -0.057 0.000 0.789 192 P CB 0.547 32.086 31.700 -0.269 0.000 0.951 193 N N -0.566 118.215 118.700 0.136 0.000 2.708 193 N HA 0.178 4.571 4.740 -0.578 0.000 0.257 193 N C -0.152 175.379 175.510 0.034 0.000 1.373 193 N CA -0.432 52.678 53.050 0.100 0.000 0.843 193 N CB 1.874 40.383 38.487 0.036 0.000 1.503 193 N HN 0.095 nan 8.380 nan 0.000 0.504 194 V N -0.405 119.564 119.914 0.091 0.000 3.647 194 V HA 0.342 4.115 4.120 -0.578 0.000 0.279 194 V C 0.313 176.372 176.094 -0.059 0.000 1.314 194 V CA 0.094 62.422 62.300 0.047 0.000 1.125 194 V CB -1.125 30.765 31.823 0.112 0.000 0.907 194 V HN 0.541 nan 8.190 nan 0.000 0.434 195 Y N 2.198 122.352 120.300 -0.243 0.000 2.359 195 Y HA 0.400 4.606 4.550 -0.573 0.000 0.334 195 Y C 0.570 176.222 175.900 -0.413 0.000 1.058 195 Y CA -0.834 57.090 58.100 -0.293 0.000 1.244 195 Y CB 0.686 38.968 38.460 -0.296 0.000 1.187 195 Y HN 0.257 nan 8.280 nan 0.000 0.510 196 D N 5.652 125.792 120.400 -0.433 0.000 2.368 196 D HA -0.101 4.192 4.640 -0.578 0.000 0.268 196 D C 0.488 176.818 176.300 0.051 0.000 1.298 196 D CA 0.568 54.460 54.000 -0.180 0.000 0.938 196 D CB 0.073 40.767 40.800 -0.176 0.000 1.101 196 D HN 0.599 nan 8.370 nan 0.000 0.509 197 F N 2.182 122.240 119.950 0.180 0.000 2.293 197 F HA 0.036 4.214 4.527 -0.581 0.000 0.300 197 F C 2.487 178.277 175.800 -0.017 0.000 1.086 197 F CA 0.867 58.956 58.000 0.148 0.000 1.375 197 F CB -0.378 38.695 39.000 0.121 0.000 1.045 197 F HN 0.501 nan 8.300 nan 0.000 0.516 198 G N -1.597 107.298 108.800 0.158 0.000 2.394 198 G HA2 -0.312 3.301 3.960 -0.578 0.000 0.215 198 G HA3 -0.312 3.301 3.960 -0.578 0.000 0.215 198 G C 1.617 176.507 174.900 -0.017 0.000 1.165 198 G CA 0.505 45.616 45.100 0.019 0.000 0.784 198 G HN 0.402 nan 8.290 nan 0.000 0.535 199 Y N 0.501 120.772 120.300 -0.050 0.000 2.224 199 Y HA -0.004 4.197 4.550 -0.580 0.000 0.289 199 Y C 2.759 178.647 175.900 -0.021 0.000 1.146 199 Y CA 1.892 59.957 58.100 -0.058 0.000 1.182 199 Y CB -0.067 38.332 38.460 -0.102 0.000 0.983 199 Y HN 0.182 nan 8.280 nan 0.000 0.524 200 M N -0.206 119.525 119.600 0.217 0.000 2.159 200 M HA -0.298 3.835 4.480 -0.578 0.000 0.263 200 M C 2.047 178.196 176.300 -0.251 0.000 1.063 200 M CA 1.852 57.239 55.300 0.144 0.000 1.110 200 M CB -0.118 32.689 32.600 0.346 0.000 1.374 200 M HN 0.387 nan 8.290 nan 0.000 0.411 201 Q N -0.412 119.061 119.800 -0.545 0.000 2.124 201 Q HA -0.196 3.797 4.340 -0.578 0.000 0.202 201 Q C 1.937 177.735 176.000 -0.337 0.000 0.977 201 Q CA 1.483 56.812 55.803 -0.791 0.000 0.850 201 Q CB -0.080 28.173 28.738 -0.808 0.000 0.901 201 Q HN 0.503 nan 8.270 nan 0.000 0.429 202 R N 0.373 120.688 120.500 -0.308 0.000 2.235 202 R HA -0.074 3.919 4.340 -0.578 0.000 0.213 202 R C 1.832 177.969 176.300 -0.271 0.000 1.059 202 R CA 0.763 56.698 56.100 -0.275 0.000 0.997 202 R CB 0.144 30.238 30.300 -0.345 0.000 0.884 202 R HN 0.303 nan 8.270 nan 0.000 0.462 203 E N -0.009 120.021 120.200 -0.283 0.000 2.046 203 E HA -0.105 3.898 4.350 -0.578 0.000 0.190 203 E C 1.989 178.514 176.600 -0.125 0.000 0.982 203 E CA 1.018 57.287 56.400 -0.219 0.000 0.800 203 E CB -0.051 29.547 29.700 -0.170 0.000 0.756 203 E HN 0.353 nan 8.360 nan 0.000 0.449 204 A N 1.243 124.032 122.820 -0.051 0.000 1.972 204 A HA -0.092 3.881 4.320 -0.578 0.000 0.219 204 A C 2.201 179.883 177.584 0.163 0.000 1.169 204 A CA 1.598 53.717 52.037 0.137 0.000 0.635 204 A CB -0.373 18.906 19.000 0.466 0.000 0.810 204 A HN 0.264 nan 8.150 nan 0.000 0.446 205 A N -1.628 121.236 122.820 0.073 0.000 2.251 205 A HA 0.422 4.395 4.320 -0.578 0.000 0.209 205 A C 1.745 179.335 177.584 0.010 0.000 1.187 205 A CA 1.071 53.139 52.037 0.051 0.000 0.823 205 A CB -1.075 17.934 19.000 0.017 0.000 0.846 205 A HN 1.840 nan 8.150 nan 0.000 0.486 206 G N -0.208 108.587 108.800 -0.009 0.000 2.187 206 G HA2 -0.325 3.288 3.960 -0.578 0.000 0.261 206 G HA3 -0.325 3.288 3.960 -0.578 0.000 0.261 206 G C 0.547 175.413 174.900 -0.056 0.000 1.000 206 G CA 0.860 45.945 45.100 -0.025 0.000 0.718 206 G HN 0.663 nan 8.290 nan 0.000 0.519 207 E N -1.099 119.045 120.200 -0.093 0.000 2.170 207 E HA 0.232 4.235 4.350 -0.578 0.000 0.191 207 E C 1.364 177.876 176.600 -0.147 0.000 0.981 207 E CA 1.130 57.465 56.400 -0.108 0.000 0.830 207 E CB 0.257 29.887 29.700 -0.116 0.000 0.775 207 E HN 0.872 nan 8.360 nan 0.000 0.470 208 V N -1.726 118.054 119.914 -0.223 0.000 3.074 208 V HA 0.479 4.252 4.120 -0.578 0.000 0.314 208 V C -2.836 173.130 176.094 -0.212 0.000 1.117 208 V CA -3.153 58.990 62.300 -0.263 0.000 1.014 208 V CB 1.274 32.785 31.823 -0.521 0.000 1.057 208 V HN -0.219 nan 8.190 nan 0.000 0.438 209 P HA 0.214 nan 4.420 nan 0.000 0.264 209 P C -0.552 176.715 177.300 -0.054 0.000 1.193 209 P CA 0.161 63.156 63.100 -0.175 0.000 0.763 209 P CB 0.206 31.650 31.700 -0.426 0.000 0.810 210 K N 1.515 121.941 120.400 0.043 0.000 2.202 210 K HA 0.299 4.272 4.320 -0.578 0.000 0.264 210 K C 0.856 177.604 176.600 0.246 0.000 1.010 210 K CA -0.071 56.277 56.287 0.103 0.000 0.940 210 K CB 0.817 33.322 32.500 0.008 0.000 0.983 210 K HN 0.351 nan 8.250 nan 0.000 0.475 211 S N 0.622 116.474 115.700 0.254 0.000 4.198 211 S HA 0.101 4.224 4.470 -0.578 0.000 0.202 211 S C 1.539 176.206 174.600 0.112 0.000 1.124 211 S CA 0.438 58.790 58.200 0.253 0.000 1.050 211 S CB -0.347 63.072 63.200 0.365 0.000 1.401 211 S HN 0.607 nan 8.310 nan 0.000 0.589 212 A N 1.593 124.461 122.820 0.080 0.000 2.019 212 A HA 0.256 4.229 4.320 -0.578 0.000 0.219 212 A C 1.577 179.038 177.584 -0.205 0.000 1.164 212 A CA 1.074 52.999 52.037 -0.186 0.000 0.644 212 A CB -0.644 17.995 19.000 -0.602 0.000 0.805 212 A HN 0.562 nan 8.150 nan 0.000 0.449 213 L N -1.411 119.655 121.223 -0.263 0.000 2.653 213 L HA 0.264 4.257 4.340 -0.578 0.000 0.231 213 L C 1.278 178.009 176.870 -0.232 0.000 1.153 213 L CA 0.444 54.942 54.840 -0.571 0.000 0.933 213 L CB 0.056 41.449 42.059 -1.111 0.000 1.175 213 L HN 0.365 nan 8.230 nan 0.000 0.473 214 A N -0.783 122.004 122.820 -0.054 0.000 2.676 214 A HA 0.309 4.282 4.320 -0.578 0.000 0.297 214 A C 0.800 178.415 177.584 0.053 0.000 1.132 214 A CA -0.218 51.845 52.037 0.044 0.000 0.972 214 A CB -0.070 18.974 19.000 0.074 0.000 1.197 214 A HN 0.251 nan 8.150 nan 0.000 0.524 215 T N 0.870 115.443 114.554 0.030 0.000 3.626 215 T HA -0.160 3.843 4.350 -0.578 0.000 0.393 215 T C -0.348 174.348 174.700 -0.007 0.000 0.765 215 T CA 1.744 63.848 62.100 0.006 0.000 2.006 215 T CB -1.636 67.246 68.868 0.024 0.000 1.739 215 T HN 0.759 nan 8.240 nan 0.000 0.720 216 E N -0.926 119.258 120.200 -0.026 0.000 2.272 216 E HA 0.691 4.694 4.350 -0.578 0.000 0.269 216 E C 0.274 176.818 176.600 -0.093 0.000 0.877 216 E CA -0.695 55.684 56.400 -0.034 0.000 0.755 216 E CB 2.765 32.480 29.700 0.026 0.000 1.192 216 E HN 0.109 nan 8.360 nan 0.000 0.422 217 V N 3.199 123.015 119.914 -0.164 0.000 5.311 217 V HA -0.026 3.747 4.120 -0.578 0.000 0.119 217 V C 0.735 176.659 176.094 -0.283 0.000 1.232 217 V CA 0.177 62.361 62.300 -0.194 0.000 0.820 217 V CB -0.488 31.240 31.823 -0.158 0.000 0.965 217 V HN 0.725 nan 8.190 nan 0.000 0.675 218 I N 0.469 120.804 120.570 -0.392 0.000 2.614 218 I HA -0.124 3.699 4.170 -0.578 0.000 0.258 218 I C 1.170 177.039 176.117 -0.414 0.000 1.189 218 I CA 1.868 62.885 61.300 -0.472 0.000 1.462 218 I CB 0.168 37.822 38.000 -0.576 0.000 1.092 218 I HN 0.647 nan 8.210 nan 0.000 0.442 219 Y N 0.717 120.904 120.300 -0.188 0.000 2.636 219 Y HA 0.550 4.753 4.550 -0.578 0.000 0.260 219 Y C 0.811 176.426 175.900 -0.476 0.000 1.177 219 Y CA -0.351 57.616 58.100 -0.221 0.000 1.209 219 Y CB -0.230 38.178 38.460 -0.086 0.000 1.166 219 Y HN 0.098 nan 8.280 nan 0.000 0.531 220 G N 0.771 109.249 108.800 -0.537 0.000 2.629 220 G HA2 -0.164 3.449 3.960 -0.578 0.000 0.686 220 G HA3 -0.164 3.449 3.960 -0.578 0.000 0.686 220 G C -1.200 173.313 174.900 -0.645 0.000 1.232 220 G CA -1.232 43.191 45.100 -1.129 0.000 0.803 220 G HN 0.259 nan 8.290 nan 0.000 0.638 221 N N 0.606 118.989 118.700 -0.528 0.000 2.372 221 N HA 0.415 4.808 4.740 -0.578 0.000 0.285 221 N C 1.079 176.625 175.510 0.060 0.000 1.008 221 N CA -1.011 51.975 53.050 -0.106 0.000 0.880 221 N CB 1.286 39.771 38.487 -0.003 0.000 1.239 221 N HN 0.478 nan 8.380 nan 0.000 0.484 222 N N 1.038 119.776 118.700 0.063 0.000 2.396 222 N HA -0.048 4.345 4.740 -0.578 0.000 0.180 222 N C -0.447 174.689 175.510 -0.624 0.000 1.028 222 N CA 1.109 54.053 53.050 -0.178 0.000 0.893 222 N CB 0.107 38.428 38.487 -0.276 0.000 0.967 222 N HN 0.602 nan 8.380 nan 0.000 0.440 223 H N -3.002 116.064 119.070 -0.006 0.000 2.990 223 H HA 0.310 4.518 4.556 -0.580 0.000 0.343 223 H C 1.020 176.056 175.328 -0.487 0.000 1.270 223 H CA 0.023 55.922 56.048 -0.248 0.000 1.118 223 H CB 1.436 31.080 29.762 -0.196 0.000 1.861 223 H HN 0.065 nan 8.280 nan 0.000 0.544 224 G N 0.883 109.151 108.800 -0.886 0.000 2.562 224 G HA2 -0.336 3.277 3.960 -0.578 0.000 0.241 224 G HA3 -0.336 3.277 3.960 -0.578 0.000 0.241 224 G C 0.568 174.710 174.900 -1.264 0.000 1.120 224 G CA 0.934 45.241 45.100 -1.322 0.000 0.673 224 G HN 0.586 nan 8.290 nan 0.000 0.519 225 K N 1.421 121.359 120.400 -0.770 0.000 2.312 225 K HA 0.373 4.346 4.320 -0.578 0.000 0.287 225 K C -0.000 176.447 176.600 -0.255 0.000 1.062 225 K CA -0.307 55.758 56.287 -0.370 0.000 0.934 225 K CB 0.332 32.813 32.500 -0.031 0.000 1.027 225 K HN 0.106 nan 8.250 nan 0.000 0.478 226 Q N 2.816 122.491 119.800 -0.208 0.000 2.678 226 Q HA 0.071 4.064 4.340 -0.578 0.000 0.222 226 Q C -0.263 175.667 176.000 -0.116 0.000 1.281 226 Q CA -0.068 55.646 55.803 -0.149 0.000 0.994 226 Q CB 0.459 29.123 28.738 -0.123 0.000 1.452 226 Q HN 0.673 nan 8.270 nan 0.000 0.570 227 S N -0.188 115.439 115.700 -0.121 0.000 2.634 227 S HA 0.282 4.405 4.470 -0.578 0.000 0.261 227 S C 1.465 175.979 174.600 -0.142 0.000 1.271 227 S CA -0.717 57.397 58.200 -0.144 0.000 0.985 227 S CB 0.889 64.013 63.200 -0.127 0.000 0.968 227 S HN 0.572 nan 8.310 nan 0.000 0.568 228 L N 0.796 121.891 121.223 -0.214 0.000 2.187 228 L HA -0.151 3.842 4.340 -0.578 0.000 0.213 228 L C 2.144 178.964 176.870 -0.083 0.000 1.100 228 L CA 1.538 56.273 54.840 -0.176 0.000 0.765 228 L CB -0.917 40.945 42.059 -0.328 0.000 0.904 228 L HN 0.795 nan 8.230 nan 0.000 0.437 229 D N -0.092 120.270 120.400 -0.065 0.000 2.310 229 D HA -0.189 4.104 4.640 -0.578 0.000 0.212 229 D C 1.690 177.973 176.300 -0.028 0.000 0.965 229 D CA 1.107 55.092 54.000 -0.024 0.000 0.879 229 D CB -0.139 40.672 40.800 0.017 0.000 0.921 229 D HN 0.300 nan 8.370 nan 0.000 0.510 230 K N -0.363 120.010 120.400 -0.045 0.000 2.308 230 K HA 0.073 4.046 4.320 -0.578 0.000 0.197 230 K C 1.842 178.403 176.600 -0.065 0.000 1.049 230 K CA 1.094 57.349 56.287 -0.054 0.000 0.991 230 K CB 0.447 32.905 32.500 -0.069 0.000 0.836 230 K HN 0.344 nan 8.250 nan 0.000 0.500 231 T N -1.991 112.524 114.554 -0.066 0.000 3.274 231 T HA 0.027 4.030 4.350 -0.578 0.000 0.186 231 T C 1.671 176.314 174.700 -0.096 0.000 0.799 231 T CA -0.060 61.981 62.100 -0.099 0.000 1.611 231 T CB -0.916 67.889 68.868 -0.104 0.000 2.155 231 T HN -0.032 nan 8.240 nan 0.000 0.427 232 Y N 1.878 122.130 120.300 -0.081 0.000 2.114 232 Y HA 0.003 4.205 4.550 -0.579 0.000 0.282 232 Y C 2.602 178.454 175.900 -0.080 0.000 1.165 232 Y CA 1.501 59.555 58.100 -0.077 0.000 1.148 232 Y CB -0.661 37.745 38.460 -0.089 0.000 0.972 232 Y HN 0.185 nan 8.280 nan 0.000 0.504 233 L N -1.209 120.058 121.223 0.074 0.000 2.141 233 L HA -0.201 3.792 4.340 -0.578 0.000 0.209 233 L C 2.625 179.490 176.870 -0.007 0.000 1.094 233 L CA 0.878 55.725 54.840 0.012 0.000 0.763 233 L CB -0.762 41.287 42.059 -0.017 0.000 0.908 233 L HN 0.227 nan 8.230 nan 0.000 0.437 234 A N 0.085 122.895 122.820 -0.018 0.000 1.898 234 A HA -0.085 3.888 4.320 -0.578 0.000 0.216 234 A C 2.537 180.102 177.584 -0.032 0.000 1.181 234 A CA 1.536 53.556 52.037 -0.028 0.000 0.620 234 A CB -0.551 18.427 19.000 -0.037 0.000 0.819 234 A HN 0.369 nan 8.150 nan 0.000 0.442 235 A N -0.066 122.731 122.820 -0.039 0.000 1.898 235 A HA 0.220 4.193 4.320 -0.578 0.000 0.216 235 A C 2.508 180.076 177.584 -0.026 0.000 1.181 235 A CA 1.906 53.917 52.037 -0.043 0.000 0.620 235 A CB -1.043 17.914 19.000 -0.072 0.000 0.819 235 A HN 1.017 nan 8.150 nan 0.000 0.442 236 A N -0.155 122.659 122.820 -0.010 0.000 1.908 236 A HA -0.103 3.870 4.320 -0.578 0.000 0.218 236 A C 2.158 179.726 177.584 -0.027 0.000 1.181 236 A CA 1.607 53.635 52.037 -0.015 0.000 0.627 236 A CB -0.659 18.334 19.000 -0.011 0.000 0.818 236 A HN 0.476 nan 8.150 nan 0.000 0.445 237 L N -0.776 120.431 121.223 -0.025 0.000 2.141 237 L HA -0.109 3.884 4.340 -0.578 0.000 0.209 237 L C 2.701 179.555 176.870 -0.026 0.000 1.094 237 L CA 0.881 55.705 54.840 -0.027 0.000 0.763 237 L CB -0.594 41.450 42.059 -0.025 0.000 0.908 237 L HN 0.506 nan 8.230 nan 0.000 0.437 238 G N -0.651 108.133 108.800 -0.026 0.000 2.509 238 G HA2 -0.237 3.376 3.960 -0.578 0.000 0.218 238 G HA3 -0.237 3.376 3.960 -0.578 0.000 0.218 238 G C 1.654 176.540 174.900 -0.025 0.000 1.124 238 G CA 1.089 46.173 45.100 -0.026 0.000 0.776 238 G HN 0.462 nan 8.290 nan 0.000 0.547 239 T N -2.456 112.083 114.554 -0.026 0.000 2.995 239 T HA 0.262 4.265 4.350 -0.578 0.000 0.269 239 T C 2.116 176.802 174.700 -0.023 0.000 1.091 239 T CA 1.100 63.185 62.100 -0.026 0.000 1.128 239 T CB -0.258 68.592 68.868 -0.030 0.000 0.891 239 T HN 1.299 nan 8.240 nan 0.000 0.492 240 G N 1.254 110.040 108.800 -0.023 0.000 2.162 240 G HA2 -0.245 3.368 3.960 -0.578 0.000 0.260 240 G HA3 -0.245 3.368 3.960 -0.578 0.000 0.260 240 G C 0.855 175.742 174.900 -0.022 0.000 0.976 240 G CA 0.441 45.529 45.100 -0.021 0.000 0.655 240 G HN 0.518 nan 8.290 nan 0.000 0.533 241 K N -0.560 119.824 120.400 -0.027 0.000 2.373 241 K HA 0.409 4.382 4.320 -0.578 0.000 0.200 241 K C 0.532 177.109 176.600 -0.038 0.000 1.054 241 K CA 0.324 56.594 56.287 -0.029 0.000 1.065 241 K CB 1.397 33.879 32.500 -0.030 0.000 0.886 241 K HN 0.356 nan 8.250 nan 0.000 0.546 242 V N 2.221 122.111 119.914 -0.041 0.000 2.495 242 V HA 0.351 4.124 4.120 -0.578 0.000 0.298 242 V C 0.007 176.074 176.094 -0.044 0.000 1.031 242 V CA -0.835 61.436 62.300 -0.049 0.000 0.871 242 V CB 1.657 33.448 31.823 -0.053 0.000 0.988 242 V HN 0.246 nan 8.190 nan 0.000 0.432 243 T N 2.541 117.065 114.554 -0.050 0.000 2.887 243 T HA 0.830 4.833 4.350 -0.578 0.000 0.288 243 T C -0.824 173.840 174.700 -0.059 0.000 1.021 243 T CA -0.646 61.423 62.100 -0.051 0.000 1.000 243 T CB 1.847 70.683 68.868 -0.053 0.000 1.034 243 T HN 0.358 nan 8.240 nan 0.000 0.467 244 I N 1.830 122.366 120.570 -0.056 0.000 2.436 244 I HA 0.341 4.164 4.170 -0.578 0.000 0.289 244 I C -0.236 175.836 176.117 -0.074 0.000 1.010 244 I CA -0.783 60.482 61.300 -0.058 0.000 1.098 244 I CB 2.139 40.117 38.000 -0.037 0.000 1.266 244 I HN 0.591 nan 8.210 nan 0.000 0.434 245 Q N 4.788 124.519 119.800 -0.115 0.000 2.333 245 Q HA 0.391 4.384 4.340 -0.578 0.000 0.265 245 Q C -0.257 175.715 176.000 -0.047 0.000 0.989 245 Q CA -0.682 55.014 55.803 -0.179 0.000 0.842 245 Q CB 2.358 30.797 28.738 -0.498 0.000 1.262 245 Q HN 0.731 nan 8.270 nan 0.000 0.451 246 T N -1.198 113.399 114.554 0.072 0.000 2.912 246 T HA 0.466 4.469 4.350 -0.578 0.000 0.280 246 T C 0.671 175.532 174.700 0.269 0.000 0.989 246 T CA -0.732 61.449 62.100 0.134 0.000 0.995 246 T CB 0.541 69.440 68.868 0.053 0.000 1.077 246 T HN 0.727 nan 8.240 nan 0.000 0.531 247 L N -0.178 121.154 121.223 0.181 0.000 3.843 247 L HA -0.167 3.826 4.340 -0.578 0.000 0.411 247 L C -0.750 176.150 176.870 0.050 0.000 1.205 247 L CA 0.456 55.376 54.840 0.132 0.000 0.945 247 L CB -2.223 39.863 42.059 0.046 0.000 1.929 247 L HN 0.823 nan 8.230 nan 0.000 0.934 248 H N -0.219 118.887 119.070 0.061 0.000 2.762 248 H HA 0.451 4.659 4.556 -0.579 0.000 0.310 248 H C 0.026 175.384 175.328 0.050 0.000 1.004 248 H CA -0.175 55.900 56.048 0.045 0.000 1.267 248 H CB 1.303 31.080 29.762 0.026 0.000 1.437 248 H HN 0.207 nan 8.280 nan 0.000 0.498 249 Q N 3.401 123.268 119.800 0.113 0.000 2.290 249 Q HA 0.412 4.405 4.340 -0.578 0.000 0.259 249 Q C -0.925 175.117 176.000 0.070 0.000 0.941 249 Q CA -0.950 54.908 55.803 0.092 0.000 0.912 249 Q CB 1.125 29.919 28.738 0.094 0.000 1.244 249 Q HN 0.410 nan 8.270 nan 0.000 0.441 250 V N 5.608 125.556 119.914 0.057 0.000 2.488 250 V HA 0.061 3.834 4.120 -0.578 0.000 0.277 250 V C 0.641 176.751 176.094 0.026 0.000 1.046 250 V CA -0.108 62.216 62.300 0.040 0.000 0.986 250 V CB 1.010 32.848 31.823 0.025 0.000 0.989 250 V HN 0.830 nan 8.190 nan 0.000 0.475 251 K N 2.564 122.978 120.400 0.024 0.000 2.172 251 K HA 0.162 4.135 4.320 -0.578 0.000 0.203 251 K C 0.893 177.497 176.600 0.007 0.000 1.040 251 K CA 0.907 57.206 56.287 0.020 0.000 0.974 251 K CB 0.113 32.627 32.500 0.023 0.000 0.857 251 K HN 0.800 nan 8.250 nan 0.000 0.464 252 T N -1.089 113.467 114.554 0.003 0.000 2.916 252 T HA 0.746 4.749 4.350 -0.578 0.000 0.292 252 T C -0.251 174.439 174.700 -0.016 0.000 1.055 252 T CA -0.830 61.262 62.100 -0.013 0.000 1.009 252 T CB 1.710 70.573 68.868 -0.009 0.000 1.118 252 T HN -0.035 nan 8.240 nan 0.000 0.497 253 I N 1.966 122.516 120.570 -0.034 0.000 2.498 253 I HA 0.636 4.459 4.170 -0.578 0.000 0.290 253 I C -0.103 176.002 176.117 -0.021 0.000 1.032 253 I CA -1.076 60.207 61.300 -0.028 0.000 1.073 253 I CB 2.171 40.124 38.000 -0.079 0.000 1.251 253 I HN 0.863 nan 8.210 nan 0.000 0.426 254 R N 4.479 124.993 120.500 0.024 0.000 2.799 254 R HA 0.581 4.574 4.340 -0.578 0.000 0.270 254 R C -1.530 174.785 176.300 0.025 0.000 1.010 254 R CA -0.976 55.129 56.100 0.008 0.000 0.916 254 R CB 1.994 32.291 30.300 -0.005 0.000 1.228 254 R HN 0.577 nan 8.270 nan 0.000 0.469 255 Q N 1.829 121.593 119.800 -0.060 0.000 2.307 255 Q HA 0.240 4.233 4.340 -0.578 0.000 0.262 255 Q C -0.559 175.341 176.000 -0.167 0.000 0.961 255 Q CA -0.693 54.967 55.803 -0.238 0.000 0.882 255 Q CB 1.752 30.331 28.738 -0.264 0.000 1.264 255 Q HN 0.786 nan 8.270 nan 0.000 0.446 256 T N 0.857 115.294 114.554 -0.195 0.000 2.734 256 T HA 0.105 4.108 4.350 -0.578 0.000 0.314 256 T C 0.822 175.455 174.700 -0.112 0.000 1.057 256 T CA -0.228 61.800 62.100 -0.120 0.000 1.047 256 T CB 0.678 69.482 68.868 -0.106 0.000 0.991 256 T HN 0.705 nan 8.240 nan 0.000 0.540 257 K N 0.500 120.855 120.400 -0.076 0.000 2.280 257 K HA -0.075 3.898 4.320 -0.578 0.000 0.202 257 K C 1.605 178.162 176.600 -0.072 0.000 1.047 257 K CA 1.501 57.750 56.287 -0.063 0.000 0.942 257 K CB -0.070 32.402 32.500 -0.046 0.000 0.739 257 K HN 0.790 nan 8.250 nan 0.000 0.457 258 D N -1.427 118.920 120.400 -0.088 0.000 2.388 258 D HA 0.061 4.354 4.640 -0.578 0.000 0.221 258 D C 0.842 177.074 176.300 -0.113 0.000 1.133 258 D CA 0.539 54.486 54.000 -0.088 0.000 0.831 258 D CB 0.670 41.419 40.800 -0.085 0.000 0.962 258 D HN 0.236 nan 8.370 nan 0.000 0.502 259 G N 0.183 108.891 108.800 -0.152 0.000 2.176 259 G HA2 -0.217 3.396 3.960 -0.578 0.000 0.253 259 G HA3 -0.217 3.396 3.960 -0.578 0.000 0.253 259 G C 0.662 175.348 174.900 -0.357 0.000 0.979 259 G CA -0.041 44.933 45.100 -0.209 0.000 0.641 259 G HN 0.738 nan 8.290 nan 0.000 0.530 260 G N -1.073 107.542 108.800 -0.307 0.000 2.563 260 G HA2 0.589 4.202 3.960 -0.578 0.000 0.283 260 G HA3 0.589 4.202 3.960 -0.578 0.000 0.283 260 G C -0.605 173.970 174.900 -0.541 0.000 1.309 260 G CA -0.713 44.209 45.100 -0.297 0.000 1.022 260 G HN 0.335 nan 8.290 nan 0.000 0.501 261 Y N -1.207 119.079 120.300 -0.024 0.000 2.485 261 Y HA 0.619 4.823 4.550 -0.578 0.000 0.345 261 Y C 0.452 176.345 175.900 -0.011 0.000 0.998 261 Y CA -0.530 57.545 58.100 -0.042 0.000 1.059 261 Y CB 2.481 40.897 38.460 -0.074 0.000 1.234 261 Y HN 0.707 nan 8.280 nan 0.000 0.461 262 A N 3.547 126.441 122.820 0.124 0.000 2.414 262 A HA 0.907 4.880 4.320 -0.578 0.000 0.306 262 A C -1.665 175.958 177.584 0.065 0.000 1.054 262 A CA -0.697 51.387 52.037 0.077 0.000 0.724 262 A CB 0.986 20.010 19.000 0.039 0.000 1.267 262 A HN 0.726 nan 8.150 nan 0.000 0.418 263 L N 1.229 122.484 121.223 0.053 0.000 2.370 263 L HA 0.694 4.687 4.340 -0.578 0.000 0.266 263 L C 0.094 176.986 176.870 0.036 0.000 1.002 263 L CA -0.816 54.047 54.840 0.038 0.000 0.818 263 L CB 2.555 44.636 42.059 0.036 0.000 1.325 263 L HN 0.804 nan 8.230 nan 0.000 0.418 264 T N -0.500 114.072 114.554 0.029 0.000 2.771 264 T HA 0.717 4.720 4.350 -0.578 0.000 0.281 264 T C -0.446 174.276 174.700 0.037 0.000 0.982 264 T CA -0.674 61.444 62.100 0.030 0.000 0.978 264 T CB 1.429 70.310 68.868 0.021 0.000 0.930 264 T HN 0.239 nan 8.240 nan 0.000 0.447 265 V N 3.008 122.951 119.914 0.049 0.000 2.604 265 V HA 0.479 4.252 4.120 -0.578 0.000 0.305 265 V C -0.156 175.960 176.094 0.036 0.000 1.043 265 V CA -0.976 61.363 62.300 0.065 0.000 0.888 265 V CB 1.859 33.759 31.823 0.128 0.000 0.995 265 V HN 0.945 nan 8.190 nan 0.000 0.429 266 E N 2.909 123.115 120.200 0.011 0.000 2.134 266 E HA 0.327 4.330 4.350 -0.578 0.000 0.278 266 E C -0.704 175.821 176.600 -0.125 0.000 0.959 266 E CA -0.375 56.002 56.400 -0.038 0.000 0.783 266 E CB 1.994 31.680 29.700 -0.023 0.000 1.095 266 E HN 0.640 nan 8.360 nan 0.000 0.399 267 Q N 4.044 123.714 119.800 -0.216 0.000 2.303 267 Q HA 0.215 4.208 4.340 -0.578 0.000 0.257 267 Q C -0.955 174.923 176.000 -0.203 0.000 0.941 267 Q CA -0.174 55.385 55.803 -0.406 0.000 0.931 267 Q CB 0.686 29.122 28.738 -0.503 0.000 1.215 267 Q HN 0.356 nan 8.270 nan 0.000 0.437 268 K N 2.190 122.498 120.400 -0.153 0.000 2.306 268 K HA 0.317 4.290 4.320 -0.578 0.000 0.236 268 K C -0.878 175.687 176.600 -0.059 0.000 1.013 268 K CA -0.908 55.330 56.287 -0.083 0.000 0.857 268 K CB 1.114 33.581 32.500 -0.055 0.000 1.214 268 K HN 0.705 nan 8.250 nan 0.000 0.449 269 D N -1.333 119.044 120.400 -0.038 0.000 2.529 269 D HA 0.021 4.314 4.640 -0.578 0.000 0.273 269 D C 0.921 177.204 176.300 -0.029 0.000 1.197 269 D CA -0.493 53.489 54.000 -0.031 0.000 1.070 269 D CB 0.174 40.962 40.800 -0.020 0.000 1.134 269 D HN 0.570 nan 8.370 nan 0.000 0.590 270 T N -3.549 110.964 114.554 -0.068 0.000 3.007 270 T HA -0.112 3.891 4.350 -0.578 0.000 0.270 270 T C 0.626 175.259 174.700 -0.111 0.000 1.107 270 T CA 0.878 62.855 62.100 -0.203 0.000 1.118 270 T CB -0.304 68.429 68.868 -0.225 0.000 0.889 270 T HN 0.297 nan 8.240 nan 0.000 0.506 271 D N 0.996 121.431 120.400 0.059 0.000 2.339 271 D HA 0.259 4.552 4.640 -0.578 0.000 0.217 271 D C 1.729 178.181 176.300 0.253 0.000 1.050 271 D CA 0.797 54.891 54.000 0.156 0.000 0.856 271 D CB 0.019 40.878 40.800 0.099 0.000 0.922 271 D HN 0.621 nan 8.370 nan 0.000 0.518 272 G N 1.487 110.401 108.800 0.190 0.000 2.175 272 G HA2 -0.302 3.311 3.960 -0.578 0.000 0.244 272 G HA3 -0.302 3.311 3.960 -0.578 0.000 0.244 272 G C 0.463 175.290 174.900 -0.123 0.000 0.982 272 G CA 0.103 45.145 45.100 -0.097 0.000 0.641 272 G HN 0.381 nan 8.290 nan 0.000 0.527 273 K N 0.620 120.993 120.400 -0.046 0.000 2.379 273 K HA 0.486 4.459 4.320 -0.578 0.000 0.284 273 K C 0.492 177.057 176.600 -0.059 0.000 1.044 273 K CA -0.804 55.453 56.287 -0.050 0.000 0.974 273 K CB 0.345 32.830 32.500 -0.025 0.000 0.962 273 K HN 0.223 nan 8.250 nan 0.000 0.474 274 L N 6.563 127.747 121.223 -0.063 0.000 2.433 274 L HA 0.081 4.074 4.340 -0.578 0.000 0.275 274 L C 0.256 177.096 176.870 -0.051 0.000 1.128 274 L CA 0.547 55.350 54.840 -0.061 0.000 0.875 274 L CB 0.394 42.420 42.059 -0.055 0.000 1.171 274 L HN 0.832 nan 8.230 nan 0.000 0.463 275 L N 5.119 126.307 121.223 -0.059 0.000 2.298 275 L HA 0.499 4.492 4.340 -0.578 0.000 0.209 275 L C 0.733 177.578 176.870 -0.042 0.000 1.084 275 L CA 0.505 55.316 54.840 -0.048 0.000 0.816 275 L CB -0.331 41.696 42.059 -0.054 0.000 0.967 275 L HN 0.807 nan 8.230 nan 0.000 0.460 276 A N -1.058 121.730 122.820 -0.053 0.000 2.569 276 A HA 0.586 4.559 4.320 -0.578 0.000 0.292 276 A C -0.959 176.604 177.584 -0.035 0.000 1.032 276 A CA -0.437 51.580 52.037 -0.034 0.000 0.669 276 A CB 0.895 19.883 19.000 -0.020 0.000 1.290 276 A HN -0.134 nan 8.150 nan 0.000 0.422 277 T N 2.039 116.585 114.554 -0.012 0.000 2.791 277 T HA 0.530 4.533 4.350 -0.578 0.000 0.288 277 T C -0.410 174.301 174.700 0.018 0.000 0.999 277 T CA -0.255 61.844 62.100 -0.001 0.000 0.952 277 T CB 0.779 69.647 68.868 0.000 0.000 0.938 277 T HN 0.571 nan 8.240 nan 0.000 0.444 278 K N 2.031 122.453 120.400 0.036 0.000 2.208 278 K HA 0.512 4.485 4.320 -0.578 0.000 0.247 278 K C -0.326 176.305 176.600 0.051 0.000 0.953 278 K CA -1.009 55.310 56.287 0.053 0.000 0.837 278 K CB 1.660 34.214 32.500 0.090 0.000 1.131 278 K HN 0.344 nan 8.250 nan 0.000 0.431 279 E N 2.451 122.679 120.200 0.046 0.000 2.114 279 E HA 0.326 4.329 4.350 -0.578 0.000 0.266 279 E C -1.003 175.627 176.600 0.050 0.000 0.896 279 E CA -0.433 55.993 56.400 0.044 0.000 0.750 279 E CB 1.109 30.831 29.700 0.036 0.000 1.121 279 E HN 0.447 nan 8.360 nan 0.000 0.413 280 I N 2.527 123.128 120.570 0.051 0.000 2.436 280 I HA 0.181 4.004 4.170 -0.578 0.000 0.289 280 I C 0.272 176.426 176.117 0.062 0.000 1.010 280 I CA -0.572 60.757 61.300 0.049 0.000 1.098 280 I CB 1.778 39.796 38.000 0.031 0.000 1.266 280 I HN 0.324 nan 8.210 nan 0.000 0.434 281 S N 5.226 120.979 115.700 0.090 0.000 2.621 281 S HA 0.863 4.986 4.470 -0.578 0.000 0.302 281 S C -0.354 174.326 174.600 0.132 0.000 1.093 281 S CA -0.624 57.658 58.200 0.137 0.000 1.017 281 S CB 2.073 65.378 63.200 0.175 0.000 1.077 281 S HN 0.871 nan 8.310 nan 0.000 0.517 282 C N 0.631 120.029 119.300 0.165 0.000 3.316 282 C HA 0.739 4.852 4.460 -0.578 0.000 0.360 282 C C 0.881 175.993 174.990 0.204 0.000 1.560 282 C CA -0.737 58.332 59.018 0.084 0.000 1.229 282 C CB 0.948 28.709 27.740 0.035 0.000 1.823 282 C HN 1.167 nan 8.230 nan 0.000 0.440 283 R N -1.022 119.535 120.500 0.095 0.000 2.140 283 R HA 0.340 4.333 4.340 -0.578 0.000 0.200 283 R C -0.555 175.628 176.300 -0.196 0.000 1.069 283 R CA 0.328 56.365 56.100 -0.105 0.000 1.088 283 R CB 0.236 30.336 30.300 -0.334 0.000 1.012 283 R HN 0.777 nan 8.270 nan 0.000 0.500 284 Y N 0.937 121.382 120.300 0.242 0.000 2.335 284 Y HA 0.414 4.617 4.550 -0.578 0.000 0.338 284 Y C -0.854 175.165 175.900 0.199 0.000 0.977 284 Y CA -1.210 57.042 58.100 0.254 0.000 1.114 284 Y CB 1.912 40.640 38.460 0.448 0.000 1.182 284 Y HN -0.035 nan 8.280 nan 0.000 0.463 285 L N 5.041 126.296 121.223 0.054 0.000 2.319 285 L HA 0.594 4.587 4.340 -0.578 0.000 0.281 285 L C -1.784 175.018 176.870 -0.113 0.000 1.005 285 L CA -0.776 54.037 54.840 -0.045 0.000 0.828 285 L CB 0.133 41.980 42.059 -0.353 0.000 1.227 285 L HN 0.440 nan 8.230 nan 0.000 0.415 286 F N 5.558 125.552 119.950 0.073 0.000 2.427 286 F HA 0.518 4.698 4.527 -0.579 0.000 0.346 286 F C -0.378 175.427 175.800 0.008 0.000 1.120 286 F CA -0.691 57.365 58.000 0.093 0.000 1.033 286 F CB 1.516 40.565 39.000 0.082 0.000 1.126 286 F HN 0.209 nan 8.300 nan 0.000 0.462 287 L N 2.818 124.116 121.223 0.124 0.000 2.272 287 L HA 0.576 4.569 4.340 -0.578 0.000 0.289 287 L C 0.639 177.551 176.870 0.069 0.000 1.032 287 L CA 0.061 54.933 54.840 0.052 0.000 0.810 287 L CB 1.522 43.570 42.059 -0.017 0.000 1.205 287 L HN 0.794 nan 8.230 nan 0.000 0.422 288 G N 1.928 110.757 108.800 0.049 0.000 4.683 288 G HA2 0.392 4.005 3.960 -0.578 0.000 0.273 288 G HA3 0.392 4.005 3.960 -0.578 0.000 0.273 288 G C 0.559 175.469 174.900 0.018 0.000 1.065 288 G CA 0.398 45.520 45.100 0.037 0.000 0.837 288 G HN 0.696 nan 8.290 nan 0.000 0.526 289 A N 0.079 122.903 122.820 0.007 0.000 2.276 289 A HA 0.607 4.580 4.320 -0.578 0.000 0.212 289 A C 1.515 179.098 177.584 -0.002 0.000 1.230 289 A CA 0.956 52.989 52.037 -0.007 0.000 0.844 289 A CB -0.569 18.418 19.000 -0.021 0.000 0.860 289 A HN 1.931 nan 8.150 nan 0.000 0.486 290 G N -1.335 107.478 108.800 0.021 0.000 2.756 290 G HA2 -0.079 3.534 3.960 -0.578 0.000 0.678 290 G HA3 -0.079 3.534 3.960 -0.578 0.000 0.678 290 G C 0.792 175.716 174.900 0.040 0.000 1.349 290 G CA 0.235 45.362 45.100 0.045 0.000 0.847 290 G HN 1.009 nan 8.290 nan 0.000 0.548 291 S N -0.979 114.773 115.700 0.088 0.000 2.374 291 S HA -0.112 4.011 4.470 -0.578 0.000 0.227 291 S C 2.506 177.122 174.600 0.027 0.000 1.037 291 S CA 2.323 60.598 58.200 0.124 0.000 1.024 291 S CB -0.363 62.990 63.200 0.254 0.000 0.861 291 S HN 0.723 nan 8.310 nan 0.000 0.456 292 L N 0.266 121.501 121.223 0.020 0.000 2.068 292 L HA 0.154 4.147 4.340 -0.578 0.000 0.204 292 L C 2.974 179.729 176.870 -0.191 0.000 1.076 292 L CA 1.075 55.826 54.840 -0.148 0.000 0.753 292 L CB -1.291 40.800 42.059 0.052 0.000 0.910 292 L HN 0.469 nan 8.230 nan 0.000 0.439 293 G N -0.530 108.220 108.800 -0.083 0.000 2.418 293 G HA2 -0.216 3.397 3.960 -0.578 0.000 0.217 293 G HA3 -0.216 3.397 3.960 -0.578 0.000 0.217 293 G C 1.766 176.613 174.900 -0.088 0.000 1.158 293 G CA 0.929 45.984 45.100 -0.074 0.000 0.771 293 G HN 0.283 nan 8.290 nan 0.000 0.545 294 S N 0.181 115.833 115.700 -0.080 0.000 2.371 294 S HA -0.082 4.041 4.470 -0.578 0.000 0.224 294 S C 2.608 177.142 174.600 -0.111 0.000 1.029 294 S CA 1.651 59.807 58.200 -0.074 0.000 0.978 294 S CB -0.407 62.769 63.200 -0.041 0.000 0.833 294 S HN 0.446 nan 8.310 nan 0.000 0.466 295 T N 1.751 116.202 114.554 -0.172 0.000 2.746 295 T HA -0.147 3.857 4.350 -0.578 0.000 0.267 295 T C 1.807 176.370 174.700 -0.228 0.000 1.039 295 T CA 1.506 63.470 62.100 -0.227 0.000 1.142 295 T CB -0.318 68.294 68.868 -0.427 0.000 0.866 295 T HN 0.560 nan 8.240 nan 0.000 0.444 296 E N 0.704 120.746 120.200 -0.262 0.000 2.077 296 E HA -0.103 3.900 4.350 -0.578 0.000 0.193 296 E C 2.172 178.726 176.600 -0.077 0.000 0.989 296 E CA 0.836 57.155 56.400 -0.134 0.000 0.800 296 E CB -0.247 29.401 29.700 -0.086 0.000 0.746 296 E HN 0.429 nan 8.360 nan 0.000 0.452 297 L N 0.554 121.726 121.223 -0.086 0.000 2.046 297 L HA -0.204 3.789 4.340 -0.578 0.000 0.208 297 L C 2.546 179.352 176.870 -0.106 0.000 1.077 297 L CA 0.910 55.701 54.840 -0.081 0.000 0.747 297 L CB -0.257 41.758 42.059 -0.074 0.000 0.896 297 L HN 0.286 nan 8.230 nan 0.000 0.432 298 L N -0.803 120.357 121.223 -0.104 0.000 2.072 298 L HA -0.134 3.859 4.340 -0.578 0.000 0.205 298 L C 2.604 179.415 176.870 -0.099 0.000 1.079 298 L CA 0.990 55.770 54.840 -0.100 0.000 0.752 298 L CB -0.564 41.450 42.059 -0.076 0.000 0.906 298 L HN 0.241 nan 8.230 nan 0.000 0.436 299 V N -1.932 117.931 119.914 -0.086 0.000 2.515 299 V HA -0.221 3.552 4.120 -0.578 0.000 0.250 299 V C 2.580 178.513 176.094 -0.268 0.000 1.058 299 V CA 1.629 63.882 62.300 -0.079 0.000 1.064 299 V CB -0.832 31.013 31.823 0.037 0.000 0.675 299 V HN 0.441 nan 8.190 nan 0.000 0.461 300 R N 1.095 121.393 120.500 -0.337 0.000 2.073 300 R HA -0.066 3.927 4.340 -0.578 0.000 0.234 300 R C 2.362 178.385 176.300 -0.462 0.000 1.134 300 R CA 1.821 57.518 56.100 -0.671 0.000 0.952 300 R CB -0.736 29.379 30.300 -0.308 0.000 0.850 300 R HN 0.552 nan 8.270 nan 0.000 0.433 301 A N 1.430 124.102 122.820 -0.247 0.000 1.883 301 A HA -0.217 3.756 4.320 -0.578 0.000 0.217 301 A C 2.271 179.774 177.584 -0.135 0.000 1.186 301 A CA 1.607 53.545 52.037 -0.165 0.000 0.624 301 A CB -0.681 18.237 19.000 -0.136 0.000 0.822 301 A HN 0.457 nan 8.150 nan 0.000 0.444 302 R N -0.396 120.031 120.500 -0.121 0.000 2.070 302 R HA -0.162 3.831 4.340 -0.578 0.000 0.232 302 R C 1.123 177.380 176.300 -0.073 0.000 1.138 302 R CA 1.929 57.995 56.100 -0.057 0.000 0.936 302 R CB -0.409 29.875 30.300 -0.026 0.000 0.839 302 R HN 0.407 nan 8.270 nan 0.000 0.429 303 D N -0.528 119.786 120.400 -0.143 0.000 2.371 303 D HA -0.073 4.220 4.640 -0.578 0.000 0.221 303 D C 1.328 177.575 176.300 -0.088 0.000 0.986 303 D CA 1.403 55.346 54.000 -0.095 0.000 0.899 303 D CB 0.240 41.026 40.800 -0.023 0.000 0.902 303 D HN 0.482 nan 8.370 nan 0.000 0.530 304 T N -4.250 110.207 114.554 -0.161 0.000 3.054 304 T HA 0.374 4.377 4.350 -0.578 0.000 0.255 304 T C 1.595 176.277 174.700 -0.031 0.000 1.035 304 T CA 0.335 62.394 62.100 -0.069 0.000 0.941 304 T CB 0.637 69.451 68.868 -0.091 0.000 1.026 304 T HN 0.123 nan 8.240 nan 0.000 0.533 305 G N 1.659 110.439 108.800 -0.032 0.000 2.143 305 G HA2 -0.329 3.284 3.960 -0.578 0.000 0.248 305 G HA3 -0.329 3.284 3.960 -0.578 0.000 0.248 305 G C 0.894 175.793 174.900 -0.001 0.000 0.991 305 G CA 0.894 45.991 45.100 -0.004 0.000 0.689 305 G HN 0.926 nan 8.290 nan 0.000 0.522 306 T N -2.138 112.402 114.554 -0.022 0.000 3.054 306 T HA 0.459 4.462 4.350 -0.578 0.000 0.259 306 T C 1.134 175.825 174.700 -0.014 0.000 1.092 306 T CA 0.982 63.070 62.100 -0.020 0.000 1.121 306 T CB 0.250 69.096 68.868 -0.037 0.000 0.912 306 T HN 0.569 nan 8.240 nan 0.000 0.489 307 L N 2.019 123.236 121.223 -0.010 0.000 2.625 307 L HA 0.331 4.324 4.340 -0.578 0.000 0.255 307 L C -1.951 175.009 176.870 0.150 0.000 1.493 307 L CA -1.650 53.204 54.840 0.024 0.000 0.796 307 L CB 1.859 43.806 42.059 -0.187 0.000 1.064 307 L HN -0.035 nan 8.230 nan 0.000 0.516 308 P HA -0.120 nan 4.420 nan 0.000 0.228 308 P C 0.445 177.811 177.300 0.111 0.000 1.151 308 P CA 1.044 64.205 63.100 0.101 0.000 0.770 308 P CB 0.281 32.021 31.700 0.066 0.000 0.786 309 N N -0.276 118.541 118.700 0.195 0.000 2.322 309 N HA 0.104 4.497 4.740 -0.578 0.000 0.194 309 N C 0.702 176.261 175.510 0.083 0.000 1.126 309 N CA 0.071 53.133 53.050 0.020 0.000 0.845 309 N CB 0.176 38.458 38.487 -0.340 0.000 0.976 309 N HN 0.291 nan 8.380 nan 0.000 0.475 310 L N 2.105 123.459 121.223 0.219 0.000 2.426 310 L HA 0.060 4.053 4.340 -0.578 0.000 0.271 310 L C 0.890 177.803 176.870 0.072 0.000 1.169 310 L CA -0.575 54.362 54.840 0.161 0.000 0.836 310 L CB 0.196 42.330 42.059 0.124 0.000 1.112 310 L HN 0.144 nan 8.230 nan 0.000 0.465 311 N N 0.242 118.973 118.700 0.052 0.000 2.364 311 N HA 0.012 4.405 4.740 -0.578 0.000 0.264 311 N C 0.734 176.266 175.510 0.037 0.000 1.263 311 N CA -0.178 52.892 53.050 0.033 0.000 0.959 311 N CB 0.479 38.980 38.487 0.023 0.000 1.204 311 N HN 0.556 nan 8.380 nan 0.000 0.550 312 S N -1.925 113.795 115.700 0.033 0.000 2.555 312 S HA -0.030 4.093 4.470 -0.578 0.000 0.230 312 S C 0.863 175.490 174.600 0.045 0.000 0.978 312 S CA 0.215 58.438 58.200 0.038 0.000 0.934 312 S CB -0.348 62.872 63.200 0.032 0.000 0.766 312 S HN 0.552 nan 8.310 nan 0.000 0.533 313 E N 1.286 121.512 120.200 0.043 0.000 2.285 313 E HA 0.122 4.125 4.350 -0.578 0.000 0.194 313 E C 0.269 176.906 176.600 0.062 0.000 0.997 313 E CA 0.130 56.559 56.400 0.049 0.000 0.845 313 E CB -0.217 29.506 29.700 0.037 0.000 0.782 313 E HN 0.396 nan 8.360 nan 0.000 0.491 314 V N 1.210 121.159 119.914 0.057 0.000 2.493 314 V HA 0.175 3.948 4.120 -0.578 0.000 0.292 314 V C 1.483 177.630 176.094 0.087 0.000 1.016 314 V CA 1.335 63.670 62.300 0.059 0.000 1.097 314 V CB 0.350 32.196 31.823 0.038 0.000 0.947 314 V HN 0.532 nan 8.190 nan 0.000 0.479 315 G N 3.725 112.599 108.800 0.123 0.000 2.232 315 G HA2 -0.081 3.532 3.960 -0.578 0.000 0.226 315 G HA3 -0.081 3.532 3.960 -0.578 0.000 0.226 315 G C 0.361 175.416 174.900 0.258 0.000 0.996 315 G CA 0.190 45.417 45.100 0.213 0.000 0.626 315 G HN 1.355 nan 8.290 nan 0.000 0.509 316 A N -0.371 122.558 122.820 0.181 0.000 2.242 316 A HA 0.831 4.804 4.320 -0.578 0.000 0.304 316 A C 1.950 179.648 177.584 0.191 0.000 1.100 316 A CA 1.073 53.211 52.037 0.167 0.000 0.860 316 A CB 0.333 19.398 19.000 0.108 0.000 1.168 316 A HN 2.235 nan 8.150 nan 0.000 0.503 317 G N -2.243 106.660 108.800 0.171 0.000 2.179 317 G HA2 -0.259 3.354 3.960 -0.578 0.000 0.257 317 G HA3 -0.259 3.354 3.960 -0.578 0.000 0.257 317 G C 0.025 175.036 174.900 0.185 0.000 1.010 317 G CA 0.698 45.887 45.100 0.149 0.000 0.736 317 G HN 1.304 nan 8.290 nan 0.000 0.513 318 W N 0.734 122.088 121.300 0.090 0.000 2.218 318 W HA 0.541 4.854 4.660 -0.580 0.000 0.326 318 W C 0.580 177.116 176.519 0.027 0.000 1.276 318 W CA 0.691 58.081 57.345 0.075 0.000 1.210 318 W CB 1.036 30.536 29.460 0.066 0.000 1.143 318 W HN 0.602 nan 8.180 nan 0.000 0.563 319 G N 5.318 113.435 108.800 -1.138 0.000 2.696 319 G HA2 0.435 4.048 3.960 -0.578 0.000 0.295 319 G HA3 0.435 4.048 3.960 -0.578 0.000 0.295 319 G C -2.809 171.053 174.900 -1.730 0.000 1.398 319 G CA -1.226 43.191 45.100 -1.137 0.000 0.920 319 G HN 0.297 nan 8.290 nan 0.000 0.492 320 P HA 0.125 nan 4.420 nan 0.000 0.249 320 P C 0.369 177.414 177.300 -0.426 0.000 1.583 320 P CA -0.422 62.177 63.100 -0.835 0.000 0.988 320 P CB 0.112 31.423 31.700 -0.648 0.000 1.530 321 N N 1.109 119.594 118.700 -0.358 0.000 2.714 321 N HA -0.203 4.190 4.740 -0.578 0.000 0.250 321 N C 0.906 176.376 175.510 -0.067 0.000 1.117 321 N CA 1.401 54.356 53.050 -0.158 0.000 0.719 321 N CB -1.984 36.434 38.487 -0.116 0.000 1.081 321 N HN 0.390 nan 8.380 nan 0.000 0.557 322 G N -0.773 107.977 108.800 -0.084 0.000 2.225 322 G HA2 -0.376 3.237 3.960 -0.578 0.000 0.267 322 G HA3 -0.376 3.237 3.960 -0.578 0.000 0.267 322 G C -0.055 174.839 174.900 -0.008 0.000 1.024 322 G CA 0.376 45.479 45.100 0.005 0.000 0.784 322 G HN 0.797 nan 8.290 nan 0.000 0.507 323 N N 0.078 118.697 118.700 -0.136 0.000 2.440 323 N HA 0.381 4.774 4.740 -0.578 0.000 0.265 323 N C -0.098 175.304 175.510 -0.180 0.000 1.239 323 N CA 0.016 52.945 53.050 -0.201 0.000 0.909 323 N CB 0.472 38.643 38.487 -0.527 0.000 1.066 323 N HN 0.134 nan 8.380 nan 0.000 0.474 324 I N 2.683 123.305 120.570 0.088 0.000 2.607 324 I HA 0.266 4.089 4.170 -0.578 0.000 0.290 324 I C -0.457 175.852 176.117 0.321 0.000 1.129 324 I CA -0.307 61.131 61.300 0.230 0.000 1.042 324 I CB 1.869 40.011 38.000 0.237 0.000 1.242 324 I HN 0.558 nan 8.210 nan 0.000 0.421 325 M N 4.831 124.585 119.600 0.257 0.000 2.311 325 M HA 0.551 4.684 4.480 -0.578 0.000 0.325 325 M C -0.767 175.492 176.300 -0.070 0.000 1.061 325 M CA 0.029 55.346 55.300 0.029 0.000 0.957 325 M CB 1.963 34.385 32.600 -0.295 0.000 1.646 325 M HN 0.768 nan 8.290 nan 0.000 0.434 326 T N 2.802 117.363 114.554 0.012 0.000 2.864 326 T HA 0.952 4.955 4.350 -0.578 0.000 0.289 326 T C -1.942 172.774 174.700 0.026 0.000 1.082 326 T CA -0.509 61.520 62.100 -0.118 0.000 1.009 326 T CB 1.821 70.304 68.868 -0.642 0.000 1.234 326 T HN 0.845 nan 8.240 nan 0.000 0.526 327 A N 1.843 124.630 122.820 -0.054 0.000 2.520 327 A HA 0.815 4.788 4.320 -0.578 0.000 0.298 327 A C -1.012 176.569 177.584 -0.005 0.000 1.051 327 A CA -0.752 51.270 52.037 -0.026 0.000 0.690 327 A CB 1.448 20.374 19.000 -0.123 0.000 1.281 327 A HN 0.793 nan 8.150 nan 0.000 0.402 328 R N 0.608 121.128 120.500 0.032 0.000 2.711 328 R HA 0.713 4.706 4.340 -0.578 0.000 0.284 328 R C -0.266 175.999 176.300 -0.057 0.000 0.968 328 R CA -0.553 55.529 56.100 -0.030 0.000 0.924 328 R CB 2.291 32.614 30.300 0.038 0.000 1.162 328 R HN 0.885 nan 8.270 nan 0.000 0.465 329 A N 2.702 125.460 122.820 -0.103 0.000 2.289 329 A HA 0.316 4.289 4.320 -0.578 0.000 0.298 329 A C -0.496 176.990 177.584 -0.164 0.000 1.208 329 A CA -0.584 51.401 52.037 -0.087 0.000 0.845 329 A CB 0.212 19.162 19.000 -0.082 0.000 1.125 329 A HN 0.808 nan 8.150 nan 0.000 0.517 330 N N 1.088 119.726 118.700 -0.102 0.000 2.493 330 N HA 0.302 4.695 4.740 -0.578 0.000 0.275 330 N C -0.165 175.159 175.510 -0.310 0.000 1.186 330 N CA -0.482 52.456 53.050 -0.187 0.000 0.978 330 N CB 0.433 38.918 38.487 -0.003 0.000 1.184 330 N HN 0.697 nan 8.380 nan 0.000 0.487 331 H N 1.051 119.859 119.070 -0.436 0.000 2.671 331 H HA 0.047 4.256 4.556 -0.578 0.000 0.372 331 H C 1.060 175.965 175.328 -0.706 0.000 1.227 331 H CA 0.098 55.597 56.048 -0.915 0.000 1.426 331 H CB 0.604 29.200 29.762 -1.944 0.000 1.480 331 H HN 0.525 nan 8.280 nan 0.000 0.611 332 M N 0.623 119.875 119.600 -0.579 0.000 2.202 332 M HA -0.158 3.975 4.480 -0.578 0.000 0.262 332 M C 1.721 178.164 176.300 0.238 0.000 1.063 332 M CA 1.340 56.494 55.300 -0.242 0.000 1.097 332 M CB -0.882 31.643 32.600 -0.125 0.000 1.382 332 M HN 0.750 nan 8.290 nan 0.000 0.413 333 W N 0.032 121.440 121.300 0.181 0.000 3.292 333 W HA 0.158 4.481 4.660 -0.563 0.000 0.263 333 W C -0.020 176.602 176.519 0.172 0.000 1.318 333 W CA -0.279 57.158 57.345 0.153 0.000 1.663 333 W CB -0.835 28.667 29.460 0.070 0.000 1.114 333 W HN 0.059 nan 8.180 nan 0.000 0.706 334 N N 2.284 121.066 118.700 0.137 0.000 2.696 334 N HA 0.181 4.574 4.740 -0.578 0.000 0.308 334 N C -2.762 172.808 175.510 0.099 0.000 1.915 334 N CA -1.453 51.662 53.050 0.108 0.000 0.906 334 N CB 0.411 38.910 38.487 0.019 0.000 1.284 334 N HN 0.005 nan 8.380 nan 0.000 0.488 335 P HA 0.063 nan 4.420 nan 0.000 0.269 335 P C 0.806 177.965 177.300 -0.235 0.000 1.209 335 P CA 0.069 63.003 63.100 -0.276 0.000 0.776 335 P CB 1.047 32.577 31.700 -0.283 0.000 0.876 336 T N -1.567 112.791 114.554 -0.327 0.000 3.060 336 T HA 0.387 4.390 4.350 -0.578 0.000 0.249 336 T C 0.840 175.420 174.700 -0.200 0.000 1.079 336 T CA 0.291 62.279 62.100 -0.187 0.000 1.013 336 T CB -0.714 68.071 68.868 -0.139 0.000 0.975 336 T HN 0.851 nan 8.240 nan 0.000 0.518 337 G N 0.214 108.817 108.800 -0.330 0.000 2.788 337 G HA2 0.275 3.888 3.960 -0.578 0.000 0.686 337 G HA3 0.275 3.888 3.960 -0.578 0.000 0.686 337 G C 0.475 175.122 174.900 -0.422 0.000 1.147 337 G CA -0.503 44.395 45.100 -0.337 0.000 0.755 337 G HN 0.760 nan 8.290 nan 0.000 0.634 338 A N 1.475 123.987 122.820 -0.514 0.000 2.072 338 A HA 0.298 4.271 4.320 -0.578 0.000 0.216 338 A C 0.921 178.091 177.584 -0.691 0.000 1.156 338 A CA 1.232 52.898 52.037 -0.619 0.000 0.701 338 A CB -0.043 18.541 19.000 -0.694 0.000 0.816 338 A HN 0.854 nan 8.150 nan 0.000 0.458 339 H N 1.037 119.842 119.070 -0.441 0.000 2.661 339 H HA 0.423 4.653 4.556 -0.543 0.000 0.290 339 H C -0.780 174.319 175.328 -0.382 0.000 1.082 339 H CA -0.089 55.585 56.048 -0.623 0.000 1.234 339 H CB 0.268 29.211 29.762 -1.364 0.000 1.387 339 H HN 0.491 nan 8.280 nan 0.000 0.476 340 Q N 1.527 121.329 119.800 0.003 0.000 2.330 340 Q HA 0.255 4.248 4.340 -0.578 0.000 0.269 340 Q C -0.021 176.051 176.000 0.120 0.000 1.022 340 Q CA -0.719 55.078 55.803 -0.010 0.000 0.796 340 Q CB 2.975 31.451 28.738 -0.436 0.000 1.271 340 Q HN 0.437 nan 8.270 nan 0.000 0.450 341 S N 0.951 116.720 115.700 0.114 0.000 2.549 341 S HA 0.024 4.147 4.470 -0.578 0.000 0.286 341 S C 0.814 175.360 174.600 -0.090 0.000 1.314 341 S CA -0.153 58.009 58.200 -0.062 0.000 1.062 341 S CB 0.559 63.513 63.200 -0.409 0.000 0.865 341 S HN 0.668 nan 8.310 nan 0.000 0.498 342 S N 3.627 119.266 115.700 -0.102 0.000 2.515 342 S HA 0.114 4.237 4.470 -0.578 0.000 0.231 342 S C 0.485 175.059 174.600 -0.044 0.000 0.987 342 S CA 0.316 58.454 58.200 -0.104 0.000 0.936 342 S CB -0.171 62.957 63.200 -0.120 0.000 0.766 342 S HN 0.605 nan 8.310 nan 0.000 0.528 343 I N 2.880 123.462 120.570 0.021 0.000 2.321 343 I HA 0.376 4.199 4.170 -0.578 0.000 0.291 343 I C -2.698 173.675 176.117 0.428 0.000 0.998 343 I CA -3.355 58.025 61.300 0.133 0.000 1.227 343 I CB 0.648 38.636 38.000 -0.019 0.000 1.368 343 I HN -0.173 nan 8.210 nan 0.000 0.466 344 P HA 0.248 nan 4.420 nan 0.000 0.271 344 P C 0.018 177.569 177.300 0.419 0.000 1.218 344 P CA -0.019 63.349 63.100 0.447 0.000 0.780 344 P CB 1.212 33.095 31.700 0.305 0.000 0.901 345 A N 1.963 124.973 122.820 0.317 0.000 2.425 345 A HA 0.285 4.258 4.320 -0.578 0.000 0.201 345 A C -0.189 177.366 177.584 -0.048 0.000 1.431 345 A CA 0.411 52.514 52.037 0.109 0.000 1.066 345 A CB 0.039 18.913 19.000 -0.210 0.000 1.318 345 A HN 0.437 nan 8.150 nan 0.000 0.534 346 L N -0.324 120.872 121.223 -0.045 0.000 2.354 346 L HA 0.816 4.809 4.340 -0.578 0.000 0.269 346 L C -0.003 176.827 176.870 -0.067 0.000 1.005 346 L CA -0.103 54.623 54.840 -0.190 0.000 0.819 346 L CB 1.934 43.844 42.059 -0.247 0.000 1.311 346 L HN 0.219 nan 8.230 nan 0.000 0.423 347 G N 3.519 112.229 108.800 -0.149 0.000 2.659 347 G HA2 0.603 4.216 3.960 -0.578 0.000 0.296 347 G HA3 0.603 4.216 3.960 -0.578 0.000 0.296 347 G C -1.486 173.212 174.900 -0.337 0.000 1.369 347 G CA -0.547 44.423 45.100 -0.217 0.000 0.937 347 G HN 0.499 nan 8.290 nan 0.000 0.485 348 I N 1.357 121.701 120.570 -0.376 0.000 2.315 348 I HA 0.207 4.030 4.170 -0.578 0.000 0.291 348 I C -0.828 174.996 176.117 -0.488 0.000 1.006 348 I CA -0.491 60.621 61.300 -0.313 0.000 1.265 348 I CB 1.751 39.641 38.000 -0.183 0.000 1.387 348 I HN 0.270 nan 8.210 nan 0.000 0.475 349 D N 6.239 126.452 120.400 -0.312 0.000 2.427 349 D HA 0.500 4.793 4.640 -0.578 0.000 0.226 349 D C 0.054 176.342 176.300 -0.020 0.000 1.076 349 D CA -0.245 53.669 54.000 -0.143 0.000 0.849 349 D CB 1.539 42.361 40.800 0.036 0.000 1.052 349 D HN 0.622 nan 8.370 nan 0.000 0.515 350 A N 4.863 127.701 122.820 0.030 0.000 2.616 350 A HA 0.131 4.104 4.320 -0.578 0.000 0.294 350 A C -0.374 177.252 177.584 0.071 0.000 1.091 350 A CA -0.717 51.323 52.037 0.006 0.000 0.971 350 A CB 0.003 18.950 19.000 -0.089 0.000 1.222 350 A HN 0.551 nan 8.150 nan 0.000 0.521 351 W N 2.519 123.825 121.300 0.010 0.000 2.332 351 W HA 0.393 4.705 4.660 -0.580 0.000 0.306 351 W C -0.922 175.587 176.519 -0.017 0.000 1.149 351 W CA 0.093 57.435 57.345 -0.004 0.000 1.271 351 W CB 1.152 30.628 29.460 0.027 0.000 1.243 351 W HN 0.550 nan 8.180 nan 0.000 0.459 352 D N 2.836 123.168 120.400 -0.113 0.000 2.527 352 D HA -0.003 4.290 4.640 -0.578 0.000 0.224 352 D C 0.445 176.718 176.300 -0.045 0.000 1.217 352 D CA -0.100 53.894 54.000 -0.009 0.000 0.819 352 D CB -0.147 40.627 40.800 -0.043 0.000 1.061 352 D HN 0.397 nan 8.370 nan 0.000 0.515 353 N N -0.388 118.152 118.700 -0.267 0.000 2.994 353 N HA -0.156 4.237 4.740 -0.578 0.000 0.221 353 N C 0.203 175.608 175.510 -0.175 0.000 0.900 353 N CA 1.157 54.148 53.050 -0.097 0.000 1.008 353 N CB -1.712 36.900 38.487 0.208 0.000 1.053 353 N HN 0.537 nan 8.380 nan 0.000 0.580 354 S N 0.046 115.596 115.700 -0.251 0.000 2.652 354 S HA 0.310 4.433 4.470 -0.578 0.000 0.267 354 S C 0.925 175.373 174.600 -0.253 0.000 1.201 354 S CA -0.174 57.916 58.200 -0.184 0.000 0.996 354 S CB 1.160 64.272 63.200 -0.147 0.000 1.054 354 S HN 0.028 nan 8.310 nan 0.000 0.561 355 D N 0.739 121.037 120.400 -0.169 0.000 2.269 355 D HA -0.027 4.266 4.640 -0.578 0.000 0.208 355 D C 1.766 177.949 176.300 -0.196 0.000 0.963 355 D CA 1.430 55.334 54.000 -0.160 0.000 0.864 355 D CB -0.304 40.439 40.800 -0.094 0.000 0.936 355 D HN 0.655 nan 8.370 nan 0.000 0.505 356 S N -0.605 114.971 115.700 -0.206 0.000 2.575 356 S HA 0.080 4.203 4.470 -0.578 0.000 0.215 356 S C 0.826 175.264 174.600 -0.270 0.000 0.966 356 S CA -0.476 57.609 58.200 -0.191 0.000 0.911 356 S CB 0.122 63.239 63.200 -0.139 0.000 0.780 356 S HN -0.186 nan 8.310 nan 0.000 0.514 357 S N 1.683 117.103 115.700 -0.466 0.000 2.575 357 S HA 0.340 4.463 4.470 -0.578 0.000 0.295 357 S C -0.318 173.996 174.600 -0.477 0.000 1.267 357 S CA -0.133 57.626 58.200 -0.736 0.000 1.074 357 S CB 0.555 62.698 63.200 -1.762 0.000 0.829 357 S HN 0.391 nan 8.310 nan 0.000 0.497 358 V N 4.669 124.521 119.914 -0.103 0.000 2.777 358 V HA 0.455 4.228 4.120 -0.578 0.000 0.306 358 V C -1.070 175.230 176.094 0.343 0.000 1.112 358 V CA -0.753 61.641 62.300 0.157 0.000 0.917 358 V CB 1.768 33.597 31.823 0.010 0.000 1.018 358 V HN 0.796 nan 8.190 nan 0.000 0.426 359 F N 4.237 124.381 119.950 0.324 0.000 2.434 359 F HA 0.817 4.998 4.527 -0.577 0.000 0.355 359 F C 0.197 176.104 175.800 0.178 0.000 1.115 359 F CA -0.418 57.703 58.000 0.201 0.000 1.010 359 F CB 1.129 40.191 39.000 0.102 0.000 1.234 359 F HN 0.607 nan 8.300 nan 0.000 0.439 360 A N 5.529 128.268 122.820 -0.134 0.000 2.288 360 A HA 0.445 4.418 4.320 -0.578 0.000 0.320 360 A C -0.616 176.995 177.584 0.046 0.000 1.217 360 A CA -0.655 51.448 52.037 0.110 0.000 0.840 360 A CB 0.711 19.883 19.000 0.286 0.000 1.179 360 A HN 0.770 nan 8.150 nan 0.000 0.504 361 E N 2.931 123.264 120.200 0.221 0.000 2.229 361 E HA 0.372 4.375 4.350 -0.578 0.000 0.283 361 E C -1.206 175.552 176.600 0.264 0.000 1.030 361 E CA -0.501 56.030 56.400 0.219 0.000 0.836 361 E CB 0.534 30.393 29.700 0.265 0.000 1.068 361 E HN 0.511 nan 8.360 nan 0.000 0.401 362 I N 4.290 124.998 120.570 0.230 0.000 2.329 362 I HA 0.139 3.962 4.170 -0.578 0.000 0.295 362 I C 0.332 176.611 176.117 0.269 0.000 1.109 362 I CA 0.234 61.666 61.300 0.219 0.000 1.297 362 I CB 0.668 38.782 38.000 0.189 0.000 1.433 362 I HN 0.502 nan 8.210 nan 0.000 0.509 363 A N 9.532 132.431 122.820 0.132 0.000 2.327 363 A HA 0.715 4.688 4.320 -0.578 0.000 0.283 363 A C -2.304 175.230 177.584 -0.083 0.000 1.127 363 A CA -1.329 50.760 52.037 0.085 0.000 0.810 363 A CB 0.037 19.062 19.000 0.042 0.000 1.066 363 A HN 0.424 nan 8.150 nan 0.000 0.492 364 P HA 0.300 nan 4.420 nan 0.000 0.278 364 P C -0.894 176.122 177.300 -0.474 0.000 1.258 364 P CA -0.268 62.359 63.100 -0.788 0.000 0.811 364 P CB 0.874 32.106 31.700 -0.780 0.000 1.063 365 M N 2.784 122.070 119.600 -0.525 0.000 2.114 365 M HA 0.226 4.359 4.480 -0.578 0.000 0.332 365 M C -1.702 174.388 176.300 -0.350 0.000 1.014 365 M CA -2.078 52.989 55.300 -0.389 0.000 0.956 365 M CB 2.049 34.375 32.600 -0.457 0.000 1.551 365 M HN 0.204 nan 8.290 nan 0.000 0.427 366 P HA 0.068 nan 4.420 nan 0.000 0.253 366 P C 0.885 178.091 177.300 -0.157 0.000 1.281 366 P CA 0.389 63.388 63.100 -0.168 0.000 0.792 366 P CB -0.007 31.628 31.700 -0.108 0.000 1.193 367 A N 1.145 123.804 122.820 -0.268 0.000 1.883 367 A HA 0.062 4.035 4.320 -0.578 0.000 0.217 367 A C 2.084 179.541 177.584 -0.212 0.000 1.186 367 A CA 2.317 54.183 52.037 -0.286 0.000 0.624 367 A CB -1.572 16.995 19.000 -0.722 0.000 0.822 367 A HN 0.337 nan 8.150 nan 0.000 0.444 368 G N -2.752 105.892 108.800 -0.260 0.000 2.194 368 G HA2 -0.084 3.529 3.960 -0.578 0.000 0.236 368 G HA3 -0.084 3.529 3.960 -0.578 0.000 0.236 368 G C 0.077 174.799 174.900 -0.297 0.000 0.987 368 G CA 0.619 45.590 45.100 -0.213 0.000 0.635 368 G HN 1.593 nan 8.290 nan 0.000 0.520 369 L N -2.421 118.596 121.223 -0.343 0.000 2.303 369 L HA 1.009 5.002 4.340 -0.578 0.000 0.256 369 L C -0.153 176.446 176.870 -0.451 0.000 1.034 369 L CA -1.855 52.780 54.840 -0.341 0.000 0.832 369 L CB 0.946 42.881 42.059 -0.205 0.000 1.403 369 L HN -0.008 nan 8.230 nan 0.000 0.419 370 E N -0.034 119.887 120.200 -0.466 0.000 2.299 370 E HA 0.301 4.304 4.350 -0.578 0.000 0.272 370 E C 0.519 176.765 176.600 -0.590 0.000 1.043 370 E CA 0.843 56.829 56.400 -0.691 0.000 0.895 370 E CB 0.813 29.933 29.700 -0.966 0.000 1.011 370 E HN 0.813 nan 8.360 nan 0.000 0.432 371 T N 0.960 115.177 114.554 -0.562 0.000 2.959 371 T HA 0.053 4.056 4.350 -0.578 0.000 0.254 371 T C 0.566 175.346 174.700 0.134 0.000 1.003 371 T CA -0.001 61.968 62.100 -0.219 0.000 0.950 371 T CB -0.247 68.217 68.868 -0.672 0.000 1.090 371 T HN 0.634 nan 8.240 nan 0.000 0.503 372 W N 0.792 121.987 121.300 -0.175 0.000 2.589 372 W HA -0.224 4.181 4.660 -0.425 0.000 0.272 372 W C -0.673 175.757 176.519 -0.148 0.000 1.060 372 W CA 0.067 57.325 57.345 -0.144 0.000 0.533 372 W CB -2.069 27.320 29.460 -0.120 0.000 2.084 372 W HN 0.219 nan 8.180 nan 0.000 1.371 373 V N 1.375 121.267 119.914 -0.038 0.000 2.498 373 V HA 0.337 4.110 4.120 -0.578 0.000 0.279 373 V C 0.823 176.831 176.094 -0.143 0.000 1.048 373 V CA 0.122 62.376 62.300 -0.076 0.000 0.967 373 V CB 1.725 33.489 31.823 -0.099 0.000 0.988 373 V HN -0.005 nan 8.190 nan 0.000 0.473 374 S N 5.129 120.746 115.700 -0.138 0.000 2.498 374 S HA 0.554 4.677 4.470 -0.578 0.000 0.324 374 S C -0.594 173.726 174.600 -0.466 0.000 1.071 374 S CA -0.349 57.693 58.200 -0.264 0.000 1.113 374 S CB 0.906 64.020 63.200 -0.143 0.000 0.976 374 S HN 0.534 nan 8.310 nan 0.000 0.462 375 L N 4.922 125.848 121.223 -0.496 0.000 2.307 375 L HA 0.649 4.642 4.340 -0.578 0.000 0.282 375 L C -1.602 174.933 176.870 -0.558 0.000 1.051 375 L CA -0.197 54.410 54.840 -0.388 0.000 0.804 375 L CB 0.472 42.419 42.059 -0.186 0.000 1.197 375 L HN 0.571 nan 8.230 nan 0.000 0.431 376 Y N 4.476 124.757 120.300 -0.032 0.000 2.512 376 Y HA 0.578 4.789 4.550 -0.566 0.000 0.348 376 Y C -0.688 175.245 175.900 0.056 0.000 0.990 376 Y CA -0.797 57.312 58.100 0.016 0.000 1.033 376 Y CB 1.846 40.245 38.460 -0.101 0.000 1.259 376 Y HN 0.414 nan 8.280 nan 0.000 0.461 377 L N 2.843 124.248 121.223 0.304 0.000 2.401 377 L HA 0.782 4.775 4.340 -0.578 0.000 0.263 377 L C -0.603 176.461 176.870 0.323 0.000 1.004 377 L CA -0.584 54.422 54.840 0.277 0.000 0.881 377 L CB 0.411 42.623 42.059 0.255 0.000 1.219 377 L HN 0.871 nan 8.230 nan 0.000 0.441 378 A N 5.538 128.563 122.820 0.341 0.000 2.354 378 A HA 0.621 4.594 4.320 -0.578 0.000 0.269 378 A C -0.399 177.358 177.584 0.288 0.000 1.109 378 A CA -0.251 51.999 52.037 0.355 0.000 0.800 378 A CB 0.390 19.647 19.000 0.429 0.000 1.045 378 A HN 0.689 nan 8.150 nan 0.000 0.489 379 I N 2.542 123.303 120.570 0.319 0.000 2.382 379 I HA 0.345 4.168 4.170 -0.578 0.000 0.286 379 I C 0.508 176.875 176.117 0.416 0.000 1.002 379 I CA -0.202 61.272 61.300 0.291 0.000 1.135 379 I CB 1.923 40.064 38.000 0.236 0.000 1.288 379 I HN 0.849 nan 8.210 nan 0.000 0.448 380 T N 1.923 116.668 114.554 0.319 0.000 2.927 380 T HA 0.440 4.443 4.350 -0.578 0.000 0.286 380 T C -0.409 174.428 174.700 0.229 0.000 1.040 380 T CA -0.982 61.259 62.100 0.236 0.000 1.010 380 T CB 2.112 71.041 68.868 0.101 0.000 1.177 380 T HN 0.469 nan 8.240 nan 0.000 0.546 381 K N 1.522 121.895 120.400 -0.044 0.000 2.357 381 K HA 0.300 4.273 4.320 -0.578 0.000 0.251 381 K C -0.864 175.750 176.600 0.023 0.000 1.069 381 K CA -0.540 55.749 56.287 0.004 0.000 0.994 381 K CB -0.010 32.321 32.500 -0.281 0.000 1.411 381 K HN 0.581 nan 8.250 nan 0.000 0.450 382 N N 4.716 123.469 118.700 0.089 0.000 2.443 382 N HA 0.244 4.637 4.740 -0.578 0.000 0.269 382 N C -1.720 173.849 175.510 0.099 0.000 0.985 382 N CA -2.158 50.940 53.050 0.080 0.000 0.921 382 N CB 1.650 40.202 38.487 0.108 0.000 1.195 382 N HN 0.341 nan 8.380 nan 0.000 0.492 383 P HA -0.087 nan 4.420 nan 0.000 0.226 383 P C -0.221 177.127 177.300 0.080 0.000 1.153 383 P CA 0.674 63.815 63.100 0.068 0.000 0.777 383 P CB 0.434 32.157 31.700 0.039 0.000 0.794 384 Q N 1.013 120.869 119.800 0.094 0.000 2.361 384 Q HA 0.111 4.104 4.340 -0.578 0.000 0.276 384 Q C 0.467 176.621 176.000 0.257 0.000 1.022 384 Q CA 0.823 56.687 55.803 0.101 0.000 0.898 384 Q CB 0.573 29.312 28.738 0.002 0.000 1.246 384 Q HN 0.201 nan 8.270 nan 0.000 0.410 385 R N 0.169 120.815 120.500 0.245 0.000 2.771 385 R HA 0.702 4.695 4.340 -0.578 0.000 0.274 385 R C -0.132 176.415 176.300 0.411 0.000 0.987 385 R CA -0.661 55.654 56.100 0.359 0.000 0.908 385 R CB 1.778 32.196 30.300 0.196 0.000 1.213 385 R HN 0.752 nan 8.270 nan 0.000 0.468 386 G N -0.342 108.805 108.800 0.579 0.000 2.667 386 G HA2 0.648 4.261 3.960 -0.578 0.000 0.310 386 G HA3 0.648 4.261 3.960 -0.578 0.000 0.310 386 G C -1.078 173.935 174.900 0.188 0.000 1.259 386 G CA -0.249 45.107 45.100 0.426 0.000 1.019 386 G HN 0.309 nan 8.290 nan 0.000 0.496 387 T N -0.011 114.532 114.554 -0.018 0.000 2.952 387 T HA 0.426 4.429 4.350 -0.578 0.000 0.305 387 T C -1.345 173.225 174.700 -0.215 0.000 1.064 387 T CA -0.198 61.885 62.100 -0.028 0.000 1.008 387 T CB 1.321 70.206 68.868 0.028 0.000 1.078 387 T HN 0.249 nan 8.240 nan 0.000 0.459 388 F N 2.153 122.079 119.950 -0.040 0.000 2.420 388 F HA 0.539 4.719 4.527 -0.579 0.000 0.352 388 F C 0.249 176.039 175.800 -0.016 0.000 1.108 388 F CA -0.455 57.489 58.000 -0.093 0.000 1.162 388 F CB 0.980 39.924 39.000 -0.092 0.000 1.118 388 F HN 0.157 nan 8.300 nan 0.000 0.510 389 V N 4.577 124.572 119.914 0.136 0.000 2.555 389 V HA 0.208 3.981 4.120 -0.578 0.000 0.302 389 V C -0.809 175.394 176.094 0.183 0.000 1.038 389 V CA -1.173 61.206 62.300 0.131 0.000 0.887 389 V CB 1.606 33.461 31.823 0.054 0.000 0.991 389 V HN 0.505 nan 8.190 nan 0.000 0.434 390 Y N 3.396 123.734 120.300 0.063 0.000 2.359 390 Y HA 0.399 4.602 4.550 -0.579 0.000 0.330 390 Y C 0.082 176.009 175.900 0.046 0.000 1.143 390 Y CA -0.519 57.615 58.100 0.056 0.000 1.318 390 Y CB 0.968 39.454 38.460 0.043 0.000 1.234 390 Y HN 0.710 nan 8.280 nan 0.000 0.522 391 D N 4.807 124.839 120.400 -0.612 0.000 2.460 391 D HA 0.343 4.636 4.640 -0.578 0.000 0.232 391 D C 0.364 176.139 176.300 -0.874 0.000 1.079 391 D CA 0.029 53.728 54.000 -0.502 0.000 0.864 391 D CB 1.298 41.956 40.800 -0.237 0.000 1.048 391 D HN 0.748 nan 8.370 nan 0.000 0.523 392 A N 3.529 125.948 122.820 -0.669 0.000 2.067 392 A HA 0.074 4.047 4.320 -0.578 0.000 0.219 392 A C 2.013 179.486 177.584 -0.184 0.000 1.158 392 A CA 1.539 53.337 52.037 -0.399 0.000 0.661 392 A CB -0.243 18.732 19.000 -0.041 0.000 0.801 392 A HN 0.595 nan 8.150 nan 0.000 0.452 393 A N -0.162 122.563 122.820 -0.158 0.000 1.855 393 A HA -0.075 3.898 4.320 -0.578 0.000 0.215 393 A C 2.344 179.884 177.584 -0.073 0.000 1.191 393 A CA 2.320 54.308 52.037 -0.082 0.000 0.613 393 A CB -1.126 17.836 19.000 -0.063 0.000 0.829 393 A HN 0.753 nan 8.150 nan 0.000 0.442 394 T N -4.182 110.313 114.554 -0.099 0.000 3.081 394 T HA 0.217 4.220 4.350 -0.578 0.000 0.250 394 T C 0.419 175.087 174.700 -0.053 0.000 1.100 394 T CA 0.896 62.959 62.100 -0.061 0.000 1.038 394 T CB -0.046 68.795 68.868 -0.044 0.000 0.962 394 T HN 0.459 nan 8.240 nan 0.000 0.516 395 D N 0.938 121.269 120.400 -0.115 0.000 2.716 395 D HA -0.146 4.147 4.640 -0.578 0.000 0.239 395 D C -0.637 175.707 176.300 0.074 0.000 1.125 395 D CA 0.456 54.453 54.000 -0.006 0.000 0.681 395 D CB -0.723 40.134 40.800 0.095 0.000 1.070 395 D HN 0.369 nan 8.370 nan 0.000 0.432 396 R N -0.457 120.022 120.500 -0.036 0.000 2.740 396 R HA 0.832 4.825 4.340 -0.578 0.000 0.273 396 R C -0.510 175.861 176.300 0.119 0.000 0.998 396 R CA -0.310 55.845 56.100 0.091 0.000 0.900 396 R CB 1.412 31.756 30.300 0.072 0.000 1.223 396 R HN 0.119 nan 8.270 nan 0.000 0.466 397 A N 2.298 125.255 122.820 0.229 0.000 2.328 397 A HA 0.492 4.465 4.320 -0.578 0.000 0.284 397 A C -0.433 177.324 177.584 0.289 0.000 1.160 397 A CA -0.289 51.911 52.037 0.271 0.000 0.818 397 A CB 0.355 19.493 19.000 0.230 0.000 1.087 397 A HN 0.502 nan 8.150 nan 0.000 0.504 398 K N 1.790 122.305 120.400 0.191 0.000 2.244 398 K HA 0.434 4.407 4.320 -0.578 0.000 0.260 398 K C -1.099 175.385 176.600 -0.193 0.000 0.951 398 K CA -0.718 55.624 56.287 0.092 0.000 0.826 398 K CB 2.085 34.623 32.500 0.063 0.000 1.108 398 K HN 0.557 nan 8.250 nan 0.000 0.433 399 L N 3.309 124.126 121.223 -0.675 0.000 2.361 399 L HA 0.183 4.176 4.340 -0.578 0.000 0.278 399 L C -0.799 175.767 176.870 -0.507 0.000 1.113 399 L CA 0.030 54.212 54.840 -1.096 0.000 0.849 399 L CB 0.200 41.140 42.059 -1.864 0.000 1.155 399 L HN 0.458 nan 8.230 nan 0.000 0.452 400 N N 6.771 125.254 118.700 -0.361 0.000 2.602 400 N HA 0.219 4.612 4.740 -0.578 0.000 0.238 400 N C -1.560 173.928 175.510 -0.036 0.000 1.084 400 N CA -0.066 52.898 53.050 -0.143 0.000 0.952 400 N CB 0.324 38.753 38.487 -0.097 0.000 1.244 400 N HN 0.625 nan 8.380 nan 0.000 0.512 401 W N 2.609 123.790 121.300 -0.199 0.000 3.259 401 W HA 0.301 4.614 4.660 -0.579 0.000 0.331 401 W C -0.998 175.490 176.519 -0.052 0.000 1.144 401 W CA -0.627 56.653 57.345 -0.109 0.000 1.227 401 W CB 1.598 30.979 29.460 -0.132 0.000 1.371 401 W HN 0.287 nan 8.180 nan 0.000 0.491 402 T N 1.962 116.165 114.554 -0.585 0.000 2.888 402 T HA 0.329 4.332 4.350 -0.578 0.000 0.284 402 T C 0.926 175.366 174.700 -0.432 0.000 1.017 402 T CA -0.649 61.244 62.100 -0.346 0.000 1.022 402 T CB 2.544 71.257 68.868 -0.259 0.000 1.013 402 T HN 0.653 nan 8.240 nan 0.000 0.465 403 R N 1.149 121.599 120.500 -0.083 0.000 2.117 403 R HA -0.160 3.833 4.340 -0.578 0.000 0.243 403 R C 1.865 178.136 176.300 -0.047 0.000 1.143 403 R CA 2.356 58.481 56.100 0.042 0.000 0.968 403 R CB -0.419 29.929 30.300 0.080 0.000 0.863 403 R HN 0.908 nan 8.270 nan 0.000 0.444 404 D N -0.520 119.804 120.400 -0.128 0.000 2.310 404 D HA -0.201 4.092 4.640 -0.578 0.000 0.212 404 D C 1.078 177.263 176.300 -0.191 0.000 0.965 404 D CA 0.803 54.728 54.000 -0.125 0.000 0.879 404 D CB -0.177 40.555 40.800 -0.113 0.000 0.921 404 D HN 0.451 nan 8.370 nan 0.000 0.510 405 Q N 0.062 119.631 119.800 -0.385 0.000 2.436 405 Q HA 0.018 4.011 4.340 -0.578 0.000 0.209 405 Q C 0.987 176.866 176.000 -0.202 0.000 0.965 405 Q CA 0.400 55.894 55.803 -0.515 0.000 0.910 405 Q CB -0.168 27.809 28.738 -1.269 0.000 0.980 405 Q HN 0.424 nan 8.270 nan 0.000 0.491 406 N N -0.521 118.186 118.700 0.012 0.000 2.270 406 N HA 0.121 4.514 4.740 -0.578 0.000 0.198 406 N C 1.143 176.694 175.510 0.069 0.000 1.117 406 N CA -0.020 53.146 53.050 0.195 0.000 0.845 406 N CB 0.373 39.055 38.487 0.325 0.000 0.980 406 N HN 0.150 nan 8.380 nan 0.000 0.486 407 A N 1.753 124.573 122.820 -0.000 0.000 1.902 407 A HA -0.027 3.946 4.320 -0.578 0.000 0.217 407 A C -0.380 177.182 177.584 -0.036 0.000 1.181 407 A CA 1.163 53.182 52.037 -0.030 0.000 0.623 407 A CB -1.144 17.828 19.000 -0.047 0.000 0.818 407 A HN 0.157 nan 8.150 nan 0.000 0.443 408 P HA -0.095 nan 4.420 nan 0.000 0.216 408 P C 1.790 179.080 177.300 -0.017 0.000 1.153 408 P CA 1.859 64.945 63.100 -0.023 0.000 0.848 408 P CB -0.096 31.599 31.700 -0.008 0.000 0.787 409 A N -0.506 122.327 122.820 0.020 0.000 1.883 409 A HA -0.179 3.794 4.320 -0.578 0.000 0.217 409 A C 2.342 179.927 177.584 0.002 0.000 1.186 409 A CA 1.982 54.041 52.037 0.037 0.000 0.624 409 A CB -1.780 17.269 19.000 0.083 0.000 0.822 409 A HN 0.019 nan 8.150 nan 0.000 0.444 410 V N 0.782 120.670 119.914 -0.043 0.000 2.343 410 V HA -0.324 3.449 4.120 -0.578 0.000 0.247 410 V C 2.174 178.092 176.094 -0.293 0.000 1.051 410 V CA 2.366 64.554 62.300 -0.186 0.000 1.036 410 V CB -1.210 30.496 31.823 -0.196 0.000 0.654 410 V HN 0.662 nan 8.190 nan 0.000 0.451 411 N N 0.194 118.787 118.700 -0.178 0.000 2.120 411 N HA -0.126 4.267 4.740 -0.578 0.000 0.188 411 N C 1.933 177.380 175.510 -0.105 0.000 1.024 411 N CA 1.164 54.122 53.050 -0.153 0.000 0.852 411 N CB -0.293 38.136 38.487 -0.098 0.000 1.003 411 N HN 0.492 nan 8.380 nan 0.000 0.424 412 A N 1.243 124.020 122.820 -0.072 0.000 1.873 412 A HA 0.021 3.994 4.320 -0.578 0.000 0.215 412 A C 2.336 179.918 177.584 -0.003 0.000 1.186 412 A CA 1.606 53.611 52.037 -0.052 0.000 0.616 412 A CB -0.852 18.112 19.000 -0.061 0.000 0.823 412 A HN 0.333 nan 8.150 nan 0.000 0.442 413 A N -0.213 122.645 122.820 0.062 0.000 1.902 413 A HA -0.178 3.795 4.320 -0.578 0.000 0.217 413 A C 2.140 179.950 177.584 0.376 0.000 1.181 413 A CA 2.049 54.247 52.037 0.268 0.000 0.623 413 A CB -0.468 18.767 19.000 0.391 0.000 0.818 413 A HN 0.547 nan 8.150 nan 0.000 0.443 414 K N -0.346 120.104 120.400 0.082 0.000 2.097 414 K HA -0.062 3.911 4.320 -0.578 0.000 0.206 414 K C 2.122 178.841 176.600 0.199 0.000 1.049 414 K CA 1.131 57.498 56.287 0.134 0.000 0.933 414 K CB -0.321 31.985 32.500 -0.324 0.000 0.717 414 K HN 0.370 nan 8.250 nan 0.000 0.442 415 A N 1.242 124.098 122.820 0.060 0.000 1.908 415 A HA -0.175 3.798 4.320 -0.578 0.000 0.218 415 A C 2.034 179.618 177.584 -0.000 0.000 1.181 415 A CA 1.460 53.511 52.037 0.023 0.000 0.627 415 A CB -0.632 18.351 19.000 -0.029 0.000 0.818 415 A HN 0.381 nan 8.150 nan 0.000 0.445 416 L N -1.405 119.779 121.223 -0.065 0.000 1.961 416 L HA -0.048 3.945 4.340 -0.578 0.000 0.210 416 L C 2.163 178.856 176.870 -0.295 0.000 1.072 416 L CA 2.067 56.749 54.840 -0.263 0.000 0.749 416 L CB -0.755 41.003 42.059 -0.502 0.000 0.889 416 L HN 0.346 nan 8.230 nan 0.000 0.432 417 F N -0.140 119.855 119.950 0.075 0.000 2.451 417 F HA -0.131 4.052 4.527 -0.573 0.000 0.299 417 F C 2.124 177.958 175.800 0.057 0.000 1.101 417 F CA 0.916 58.947 58.000 0.053 0.000 1.436 417 F CB -0.744 38.363 39.000 0.179 0.000 1.074 417 F HN 0.208 nan 8.300 nan 0.000 0.553 418 D N -0.117 120.442 120.400 0.265 0.000 2.183 418 D HA -0.065 4.228 4.640 -0.578 0.000 0.203 418 D C 2.299 178.636 176.300 0.062 0.000 0.969 418 D CA 0.857 54.970 54.000 0.188 0.000 0.842 418 D CB -0.103 40.815 40.800 0.197 0.000 0.957 418 D HN 0.210 nan 8.370 nan 0.000 0.484 419 R N 0.055 120.565 120.500 0.017 0.000 2.066 419 R HA 0.035 4.028 4.340 -0.578 0.000 0.232 419 R C 2.462 178.745 176.300 -0.030 0.000 1.131 419 R CA 0.721 56.809 56.100 -0.020 0.000 0.955 419 R CB -0.196 30.070 30.300 -0.058 0.000 0.851 419 R HN 0.226 nan 8.270 nan 0.000 0.432 420 I N 1.214 121.753 120.570 -0.051 0.000 2.226 420 I HA -0.268 3.555 4.170 -0.578 0.000 0.245 420 I C 1.748 177.846 176.117 -0.032 0.000 1.100 420 I CA 1.024 62.299 61.300 -0.041 0.000 1.374 420 I CB -0.395 37.579 38.000 -0.042 0.000 1.057 420 I HN 0.172 nan 8.210 nan 0.000 0.413 421 N N 1.107 119.771 118.700 -0.060 0.000 2.120 421 N HA -0.198 4.195 4.740 -0.578 0.000 0.188 421 N C 1.801 177.293 175.510 -0.031 0.000 1.024 421 N CA 1.227 54.217 53.050 -0.101 0.000 0.852 421 N CB -0.266 38.096 38.487 -0.209 0.000 1.003 421 N HN 0.340 nan 8.380 nan 0.000 0.424 422 K N 0.651 121.049 120.400 -0.004 0.000 2.097 422 K HA 0.005 3.978 4.320 -0.578 0.000 0.206 422 K C 1.779 178.397 176.600 0.029 0.000 1.049 422 K CA 1.187 57.486 56.287 0.020 0.000 0.933 422 K CB -0.028 32.486 32.500 0.024 0.000 0.717 422 K HN 0.098 nan 8.250 nan 0.000 0.442 423 A N 1.094 123.928 122.820 0.022 0.000 1.968 423 A HA -0.063 3.910 4.320 -0.578 0.000 0.217 423 A C 1.464 179.085 177.584 0.062 0.000 1.169 423 A CA 1.217 53.274 52.037 0.033 0.000 0.638 423 A CB -0.174 18.837 19.000 0.018 0.000 0.812 423 A HN 0.368 nan 8.150 nan 0.000 0.446 424 N N -0.968 117.772 118.700 0.066 0.000 2.236 424 N HA 0.131 4.524 4.740 -0.578 0.000 0.196 424 N C 0.934 176.565 175.510 0.203 0.000 1.114 424 N CA 0.801 53.928 53.050 0.128 0.000 0.859 424 N CB 0.546 39.081 38.487 0.080 0.000 0.982 424 N HN 0.534 nan 8.380 nan 0.000 0.493 425 G N 2.092 110.966 108.800 0.125 0.000 2.273 425 G HA2 -0.287 3.326 3.960 -0.578 0.000 0.280 425 G HA3 -0.287 3.326 3.960 -0.578 0.000 0.280 425 G C 0.330 175.298 174.900 0.114 0.000 1.047 425 G CA 1.139 46.326 45.100 0.145 0.000 0.869 425 G HN 0.464 nan 8.290 nan 0.000 0.502 426 T N -1.954 112.571 114.554 -0.048 0.000 2.937 426 T HA 0.824 4.827 4.350 -0.578 0.000 0.283 426 T C 0.560 175.162 174.700 -0.163 0.000 1.012 426 T CA -0.444 61.535 62.100 -0.202 0.000 0.997 426 T CB 2.635 71.308 68.868 -0.326 0.000 1.136 426 T HN 1.236 nan 8.240 nan 0.000 0.551 427 I N -2.358 118.105 120.570 -0.179 0.000 3.108 427 I HA 0.691 4.514 4.170 -0.578 0.000 0.312 427 I C -1.181 174.797 176.117 -0.231 0.000 1.095 427 I CA -1.875 59.337 61.300 -0.147 0.000 1.000 427 I CB 1.449 39.463 38.000 0.024 0.000 1.229 427 I HN 0.534 nan 8.210 nan 0.000 0.454 428 Y N 1.125 121.332 120.300 -0.155 0.000 2.316 428 Y HA 0.490 4.691 4.550 -0.582 0.000 0.324 428 Y C 0.417 176.023 175.900 -0.490 0.000 1.267 428 Y CA -0.395 57.468 58.100 -0.396 0.000 1.311 428 Y CB 0.582 38.637 38.460 -0.674 0.000 1.267 428 Y HN 0.279 nan 8.280 nan 0.000 0.516 429 R N 1.386 121.728 120.500 -0.263 0.000 2.312 429 R HA 0.172 4.165 4.340 -0.578 0.000 0.311 429 R C -0.855 175.220 176.300 -0.374 0.000 1.004 429 R CA -0.386 55.585 56.100 -0.215 0.000 0.902 429 R CB 0.466 30.680 30.300 -0.144 0.000 1.073 429 R HN 0.819 nan 8.270 nan 0.000 0.457 430 Y N -0.066 120.212 120.300 -0.037 0.000 2.481 430 Y HA 0.057 4.261 4.550 -0.576 0.000 0.247 430 Y C 0.901 176.756 175.900 -0.074 0.000 1.151 430 Y CA -0.227 57.852 58.100 -0.034 0.000 1.238 430 Y CB 0.668 39.136 38.460 0.013 0.000 1.179 430 Y HN 0.499 nan 8.280 nan 0.000 0.524 431 D N -0.739 119.656 120.400 -0.008 0.000 2.462 431 D HA 0.087 4.380 4.640 -0.578 0.000 0.221 431 D C 1.017 177.204 176.300 -0.190 0.000 1.173 431 D CA 0.193 54.152 54.000 -0.069 0.000 0.831 431 D CB -0.397 40.374 40.800 -0.047 0.000 1.001 431 D HN 0.328 nan 8.370 nan 0.000 0.499 432 L N -1.123 119.875 121.223 -0.376 0.000 2.298 432 L HA 0.222 4.215 4.340 -0.578 0.000 0.209 432 L C 1.389 177.984 176.870 -0.459 0.000 1.084 432 L CA 0.554 55.092 54.840 -0.503 0.000 0.816 432 L CB -0.260 41.354 42.059 -0.742 0.000 0.967 432 L HN -0.063 nan 8.230 nan 0.000 0.460 433 F N 0.037 119.967 119.950 -0.034 0.000 2.749 433 F HA 0.420 4.607 4.527 -0.566 0.000 0.300 433 F C 1.159 176.897 175.800 -0.103 0.000 1.103 433 F CA 0.033 58.000 58.000 -0.056 0.000 1.342 433 F CB 0.605 39.582 39.000 -0.038 0.000 1.098 433 F HN 0.063 nan 8.300 nan 0.000 0.586 434 G N -0.272 108.522 108.800 -0.009 0.000 2.350 434 G HA2 0.119 3.732 3.960 -0.578 0.000 0.304 434 G HA3 0.119 3.732 3.960 -0.578 0.000 0.304 434 G C 0.288 175.159 174.900 -0.048 0.000 1.421 434 G CA -0.305 44.740 45.100 -0.092 0.000 0.934 434 G HN -0.051 nan 8.290 nan 0.000 0.632 435 T N -3.311 111.203 114.554 -0.067 0.000 3.155 435 T HA 0.205 4.208 4.350 -0.578 0.000 0.264 435 T C 2.068 176.770 174.700 0.002 0.000 1.160 435 T CA 2.470 64.552 62.100 -0.030 0.000 1.075 435 T CB -0.113 68.735 68.868 -0.033 0.000 0.921 435 T HN 1.496 nan 8.240 nan 0.000 0.533 436 Q N 0.491 120.303 119.800 0.021 0.000 2.444 436 Q HA 0.560 4.553 4.340 -0.578 0.000 0.206 436 Q C 1.372 177.412 176.000 0.066 0.000 0.948 436 Q CA 0.342 56.171 55.803 0.042 0.000 0.946 436 Q CB -0.798 27.973 28.738 0.055 0.000 1.027 436 Q HN 0.622 nan 8.270 nan 0.000 0.513 437 L N -0.039 121.231 121.223 0.078 0.000 3.601 437 L HA -0.192 3.801 4.340 -0.578 0.000 0.469 437 L C -0.429 176.570 176.870 0.215 0.000 1.294 437 L CA 1.104 56.016 54.840 0.119 0.000 0.829 437 L CB -1.775 40.303 42.059 0.032 0.000 1.628 437 L HN 0.477 nan 8.230 nan 0.000 0.868 438 K N -0.379 120.172 120.400 0.250 0.000 2.235 438 K HA 0.712 4.685 4.320 -0.578 0.000 0.266 438 K C 1.060 177.859 176.600 0.331 0.000 0.980 438 K CA 0.211 56.682 56.287 0.305 0.000 0.849 438 K CB 1.544 34.206 32.500 0.269 0.000 1.098 438 K HN 0.192 nan 8.250 nan 0.000 0.445 439 A N 3.697 126.659 122.820 0.236 0.000 2.072 439 A HA 0.145 4.118 4.320 -0.578 0.000 0.216 439 A C -0.102 177.278 177.584 -0.341 0.000 1.156 439 A CA 0.690 52.595 52.037 -0.221 0.000 0.701 439 A CB 0.033 18.632 19.000 -0.669 0.000 0.816 439 A HN 0.551 nan 8.150 nan 0.000 0.458 440 F N -0.377 119.611 119.950 0.063 0.000 2.477 440 F HA 0.614 4.800 4.527 -0.569 0.000 0.335 440 F C 0.355 176.064 175.800 -0.152 0.000 1.130 440 F CA -1.172 56.804 58.000 -0.041 0.000 0.948 440 F CB 1.601 40.572 39.000 -0.050 0.000 1.154 440 F HN 0.067 nan 8.300 nan 0.000 0.439 441 A N 2.125 124.703 122.820 -0.404 0.000 2.347 441 A HA 0.464 4.437 4.320 -0.578 0.000 0.287 441 A C 0.080 177.704 177.584 0.066 0.000 1.199 441 A CA -0.413 51.368 52.037 -0.427 0.000 0.851 441 A CB -0.100 18.239 19.000 -1.101 0.000 1.118 441 A HN 0.730 nan 8.150 nan 0.000 0.525 442 D N 1.257 121.737 120.400 0.135 0.000 2.535 442 D HA 0.079 4.372 4.640 -0.578 0.000 0.229 442 D C -0.337 176.073 176.300 0.184 0.000 1.238 442 D CA 0.097 54.195 54.000 0.163 0.000 0.824 442 D CB 0.300 41.188 40.800 0.146 0.000 1.045 442 D HN 0.444 nan 8.370 nan 0.000 0.500 443 D N 0.035 120.571 120.400 0.227 0.000 2.650 443 D HA 0.156 4.449 4.640 -0.578 0.000 0.265 443 D C -0.065 176.390 176.300 0.258 0.000 1.339 443 D CA -0.712 53.421 54.000 0.222 0.000 0.816 443 D CB -0.731 40.189 40.800 0.200 0.000 1.091 443 D HN 0.273 nan 8.370 nan 0.000 0.483 444 F N -0.689 119.305 119.950 0.074 0.000 2.631 444 F HA 0.791 4.975 4.527 -0.571 0.000 0.328 444 F C -1.348 174.507 175.800 0.092 0.000 1.067 444 F CA -1.860 56.217 58.000 0.128 0.000 0.969 444 F CB 1.768 40.825 39.000 0.095 0.000 1.332 444 F HN -0.018 nan 8.300 nan 0.000 0.490 445 C N 2.778 122.096 119.300 0.031 0.000 2.871 445 C HA 0.527 4.640 4.460 -0.578 0.000 0.378 445 C C -0.570 174.672 174.990 0.421 0.000 1.052 445 C CA -0.367 58.610 59.018 -0.069 0.000 1.250 445 C CB 0.080 27.874 27.740 0.090 0.000 1.689 445 C HN 0.893 nan 8.230 nan 0.000 0.506 446 Y N 1.798 122.209 120.300 0.185 0.000 2.535 446 Y HA 0.309 4.510 4.550 -0.582 0.000 0.266 446 Y C 1.361 177.351 175.900 0.150 0.000 1.088 446 Y CA 0.605 58.843 58.100 0.230 0.000 1.285 446 Y CB 0.074 38.662 38.460 0.214 0.000 1.166 446 Y HN 0.691 nan 8.280 nan 0.000 0.525 447 Q N 1.998 121.937 119.800 0.232 0.000 2.788 447 Q HA 0.248 4.241 4.340 -0.578 0.000 0.285 447 Q C -2.653 173.362 176.000 0.024 0.000 1.063 447 Q CA -2.019 53.851 55.803 0.112 0.000 0.958 447 Q CB 1.102 29.873 28.738 0.055 0.000 1.211 447 Q HN 0.040 nan 8.270 nan 0.000 0.478 448 P HA 0.098 nan 4.420 nan 0.000 0.276 448 P C -0.779 176.514 177.300 -0.011 0.000 1.235 448 P CA 0.148 63.318 63.100 0.117 0.000 0.772 448 P CB 1.136 33.122 31.700 0.477 0.000 0.871 449 L N 2.685 123.733 121.223 -0.292 0.000 2.431 449 L HA 0.761 4.754 4.340 -0.578 0.000 0.266 449 L C 0.617 177.367 176.870 -0.201 0.000 0.978 449 L CA -0.423 54.306 54.840 -0.186 0.000 0.822 449 L CB 2.129 44.075 42.059 -0.187 0.000 1.310 449 L HN 0.745 nan 8.230 nan 0.000 0.409 450 G N 1.034 109.841 108.800 0.011 0.000 2.566 450 G HA2 0.342 3.955 3.960 -0.578 0.000 0.599 450 G HA3 0.342 3.955 3.960 -0.578 0.000 0.599 450 G C 0.343 175.412 174.900 0.280 0.000 1.292 450 G CA -0.282 44.879 45.100 0.103 0.000 0.922 450 G HN 1.412 nan 8.290 nan 0.000 0.514 451 G N -3.019 105.947 108.800 0.276 0.000 2.278 451 G HA2 0.062 3.675 3.960 -0.578 0.000 0.210 451 G HA3 0.062 3.675 3.960 -0.578 0.000 0.210 451 G C 0.626 175.611 174.900 0.141 0.000 1.000 451 G CA 1.126 46.401 45.100 0.292 0.000 0.635 451 G HN 2.161 nan 8.290 nan 0.000 0.495 452 C N 1.879 121.236 119.300 0.094 0.000 3.181 452 C HA 0.534 4.647 4.460 -0.578 0.000 0.216 452 C C 0.813 175.825 174.990 0.036 0.000 1.834 452 C CA -0.701 58.347 59.018 0.051 0.000 1.208 452 C CB -0.374 27.380 27.740 0.024 0.000 2.103 452 C HN 0.546 nan 8.230 nan 0.000 0.579 453 V N 2.062 121.999 119.914 0.039 0.000 2.752 453 V HA -0.090 3.683 4.120 -0.578 0.000 0.306 453 V C 0.651 176.740 176.094 -0.009 0.000 1.099 453 V CA 0.313 62.619 62.300 0.010 0.000 1.240 453 V CB 0.221 32.049 31.823 0.009 0.000 0.887 453 V HN 0.568 nan 8.190 nan 0.000 0.499 454 L N 5.425 126.628 121.223 -0.034 0.000 2.534 454 L HA 0.500 4.493 4.340 -0.578 0.000 0.271 454 L C 1.212 178.046 176.870 -0.061 0.000 1.178 454 L CA 1.793 56.601 54.840 -0.055 0.000 0.907 454 L CB 0.064 42.069 42.059 -0.091 0.000 1.164 454 L HN 1.010 nan 8.230 nan 0.000 0.482 455 G N 2.802 111.574 108.800 -0.047 0.000 2.199 455 G HA2 -0.263 3.350 3.960 -0.578 0.000 0.254 455 G HA3 -0.263 3.350 3.960 -0.578 0.000 0.254 455 G C 1.153 176.041 174.900 -0.020 0.000 0.982 455 G CA 0.442 45.518 45.100 -0.041 0.000 0.632 455 G HN 0.568 nan 8.290 nan 0.000 0.529 456 K N -0.357 120.036 120.400 -0.011 0.000 2.324 456 K HA 0.549 4.522 4.320 -0.578 0.000 0.222 456 K C 2.617 179.225 176.600 0.013 0.000 1.107 456 K CA 0.971 57.260 56.287 0.002 0.000 0.873 456 K CB -0.658 31.846 32.500 0.006 0.000 1.270 456 K HN 0.585 nan 8.250 nan 0.000 0.456 457 A N 1.554 124.385 122.820 0.018 0.000 2.178 457 A HA 0.044 4.017 4.320 -0.578 0.000 0.211 457 A C 1.060 178.659 177.584 0.025 0.000 1.157 457 A CA 1.104 53.157 52.037 0.026 0.000 0.780 457 A CB -0.185 18.834 19.000 0.032 0.000 0.828 457 A HN 0.494 nan 8.150 nan 0.000 0.476 458 T N -2.686 111.879 114.554 0.019 0.000 2.804 458 T HA 0.520 4.523 4.350 -0.578 0.000 0.290 458 T C -0.661 174.053 174.700 0.024 0.000 1.099 458 T CA -0.238 61.877 62.100 0.026 0.000 1.011 458 T CB 1.372 70.256 68.868 0.027 0.000 1.291 458 T HN 0.180 nan 8.240 nan 0.000 0.523 459 D N -0.342 120.086 120.400 0.046 0.000 2.478 459 D HA 0.207 4.500 4.640 -0.578 0.000 0.274 459 D C 0.391 176.692 176.300 0.002 0.000 1.234 459 D CA -0.586 53.442 54.000 0.048 0.000 1.069 459 D CB -0.139 40.723 40.800 0.103 0.000 1.113 459 D HN 0.478 nan 8.370 nan 0.000 0.571 460 D N -1.616 118.759 120.400 -0.043 0.000 2.392 460 D HA -0.110 4.183 4.640 -0.578 0.000 0.228 460 D C 0.112 176.091 176.300 -0.536 0.000 1.003 460 D CA 0.854 54.694 54.000 -0.265 0.000 0.917 460 D CB -0.126 40.475 40.800 -0.331 0.000 0.890 460 D HN 0.407 nan 8.370 nan 0.000 0.532 461 Y N -0.971 119.330 120.300 0.001 0.000 2.719 461 Y HA 0.330 4.533 4.550 -0.578 0.000 0.251 461 Y C 1.618 177.526 175.900 0.014 0.000 1.159 461 Y CA -0.277 57.816 58.100 -0.011 0.000 1.166 461 Y CB 1.055 39.507 38.460 -0.014 0.000 1.219 461 Y HN -0.036 nan 8.280 nan 0.000 0.551 462 G N 0.998 109.855 108.800 0.095 0.000 2.162 462 G HA2 -0.307 3.306 3.960 -0.578 0.000 0.260 462 G HA3 -0.307 3.306 3.960 -0.578 0.000 0.260 462 G C 0.271 175.268 174.900 0.161 0.000 0.976 462 G CA -0.397 44.765 45.100 0.103 0.000 0.655 462 G HN 0.328 nan 8.290 nan 0.000 0.533 463 R N 0.294 120.911 120.500 0.195 0.000 2.296 463 R HA 0.390 4.383 4.340 -0.578 0.000 0.323 463 R C 0.560 176.894 176.300 0.056 0.000 1.067 463 R CA -0.471 55.730 56.100 0.168 0.000 0.946 463 R CB 1.261 31.676 30.300 0.193 0.000 0.991 463 R HN 0.104 nan 8.270 nan 0.000 0.448 464 V N 3.687 123.592 119.914 -0.014 0.000 2.493 464 V HA -0.013 3.760 4.120 -0.578 0.000 0.292 464 V C 0.939 177.067 176.094 0.057 0.000 1.016 464 V CA -0.136 62.171 62.300 0.011 0.000 1.097 464 V CB 0.569 32.377 31.823 -0.027 0.000 0.947 464 V HN 0.863 nan 8.190 nan 0.000 0.479 465 A N 4.733 127.584 122.820 0.051 0.000 2.546 465 A HA 0.483 4.456 4.320 -0.578 0.000 0.243 465 A C 1.565 179.164 177.584 0.025 0.000 1.063 465 A CA 0.647 52.704 52.037 0.033 0.000 0.757 465 A CB -0.396 18.616 19.000 0.021 0.000 0.991 465 A HN 2.098 nan 8.150 nan 0.000 0.503 466 G N 0.769 109.529 108.800 -0.067 0.000 2.232 466 G HA2 -0.215 3.398 3.960 -0.578 0.000 0.226 466 G HA3 -0.215 3.398 3.960 -0.578 0.000 0.226 466 G C -0.034 174.532 174.900 -0.556 0.000 0.996 466 G CA 0.517 45.454 45.100 -0.273 0.000 0.626 466 G HN 0.966 nan 8.290 nan 0.000 0.509 467 Y N -0.014 120.281 120.300 -0.007 0.000 2.605 467 Y HA 0.751 4.954 4.550 -0.578 0.000 0.343 467 Y C 0.082 175.972 175.900 -0.017 0.000 1.036 467 Y CA -1.174 56.933 58.100 0.011 0.000 1.065 467 Y CB 1.575 40.066 38.460 0.052 0.000 1.288 467 Y HN -0.145 nan 8.280 nan 0.000 0.481 468 K N 1.012 121.529 120.400 0.195 0.000 2.207 468 K HA 0.337 4.310 4.320 -0.578 0.000 0.255 468 K C -0.380 176.262 176.600 0.070 0.000 0.941 468 K CA -0.707 55.634 56.287 0.089 0.000 0.825 468 K CB 1.260 33.810 32.500 0.084 0.000 1.119 468 K HN 0.841 nan 8.250 nan 0.000 0.430 469 N N 0.186 118.811 118.700 -0.125 0.000 2.776 469 N HA -0.257 4.136 4.740 -0.578 0.000 0.250 469 N C -0.925 174.107 175.510 -0.797 0.000 1.112 469 N CA 0.163 53.053 53.050 -0.268 0.000 0.733 469 N CB -0.799 37.785 38.487 0.162 0.000 1.097 469 N HN 0.211 nan 8.380 nan 0.000 0.558 470 L N 1.303 121.871 121.223 -1.091 0.000 2.343 470 L HA 0.530 4.523 4.340 -0.578 0.000 0.278 470 L C -1.229 175.029 176.870 -1.020 0.000 0.996 470 L CA -0.868 53.376 54.840 -0.993 0.000 0.831 470 L CB 0.738 42.394 42.059 -0.671 0.000 1.232 470 L HN 0.056 nan 8.230 nan 0.000 0.413 471 Y N 3.397 123.455 120.300 -0.403 0.000 2.536 471 Y HA 0.752 4.955 4.550 -0.579 0.000 0.347 471 Y C -0.403 175.389 175.900 -0.179 0.000 1.000 471 Y CA -1.258 56.657 58.100 -0.308 0.000 1.051 471 Y CB 2.100 40.260 38.460 -0.500 0.000 1.259 471 Y HN 0.207 nan 8.280 nan 0.000 0.468 472 V N 1.252 121.209 119.914 0.072 0.000 2.495 472 V HA 0.352 4.125 4.120 -0.578 0.000 0.298 472 V C 0.274 176.421 176.094 0.087 0.000 1.031 472 V CA -0.248 62.083 62.300 0.053 0.000 0.871 472 V CB 1.692 33.525 31.823 0.016 0.000 0.988 472 V HN 1.028 nan 8.190 nan 0.000 0.432 473 T N -1.181 113.429 114.554 0.092 0.000 3.043 473 T HA 0.198 4.201 4.350 -0.578 0.000 0.272 473 T C 0.213 174.941 174.700 0.047 0.000 0.990 473 T CA 0.142 62.291 62.100 0.081 0.000 0.897 473 T CB 0.066 69.005 68.868 0.117 0.000 1.111 473 T HN 0.686 nan 8.240 nan 0.000 0.529 474 D N 0.995 121.423 120.400 0.047 0.000 2.509 474 D HA 0.479 4.772 4.640 -0.578 0.000 0.275 474 D C 1.882 178.208 176.300 0.043 0.000 1.189 474 D CA -0.058 53.972 54.000 0.049 0.000 1.098 474 D CB -0.357 40.476 40.800 0.055 0.000 1.177 474 D HN -0.014 nan 8.370 nan 0.000 0.599 475 G N -1.228 107.605 108.800 0.055 0.000 2.509 475 G HA2 -0.174 3.439 3.960 -0.578 0.000 0.218 475 G HA3 -0.174 3.439 3.960 -0.578 0.000 0.218 475 G C 1.322 176.251 174.900 0.048 0.000 1.124 475 G CA 1.085 46.214 45.100 0.048 0.000 0.776 475 G HN 0.500 nan 8.290 nan 0.000 0.547 476 S N 0.164 115.897 115.700 0.055 0.000 2.474 476 S HA 0.088 4.211 4.470 -0.578 0.000 0.235 476 S C 2.124 176.750 174.600 0.043 0.000 0.997 476 S CA 0.415 58.654 58.200 0.066 0.000 0.949 476 S CB -0.196 63.031 63.200 0.046 0.000 0.766 476 S HN 0.316 nan 8.310 nan 0.000 0.517 477 L N 0.664 121.900 121.223 0.021 0.000 2.240 477 L HA 0.183 4.176 4.340 -0.578 0.000 0.211 477 L C 0.561 177.418 176.870 -0.022 0.000 1.106 477 L CA 0.264 55.103 54.840 -0.001 0.000 0.793 477 L CB -0.342 41.712 42.059 -0.009 0.000 0.927 477 L HN 0.305 nan 8.230 nan 0.000 0.446 478 I N 2.351 122.909 120.570 -0.021 0.000 2.471 478 I HA 0.073 3.896 4.170 -0.578 0.000 0.286 478 I C -1.731 174.354 176.117 -0.053 0.000 1.079 478 I CA -2.146 59.126 61.300 -0.047 0.000 1.398 478 I CB 0.427 38.404 38.000 -0.038 0.000 1.403 478 I HN -0.110 nan 8.210 nan 0.000 0.530 479 P HA 0.061 nan 4.420 nan 0.000 0.238 479 P C 0.975 178.238 177.300 -0.063 0.000 1.729 479 P CA 0.330 63.395 63.100 -0.058 0.000 1.055 479 P CB -0.059 31.594 31.700 -0.078 0.000 1.980 480 G N 0.599 109.338 108.800 -0.101 0.000 2.238 480 G HA2 -0.295 3.318 3.960 -0.578 0.000 0.270 480 G HA3 -0.295 3.318 3.960 -0.578 0.000 0.270 480 G C 0.215 175.030 174.900 -0.141 0.000 0.977 480 G CA 0.628 45.617 45.100 -0.185 0.000 0.639 480 G HN 0.814 nan 8.290 nan 0.000 0.544 481 S N -2.132 113.542 115.700 -0.043 0.000 2.537 481 S HA 0.602 4.725 4.470 -0.578 0.000 0.271 481 S C 0.406 175.078 174.600 0.120 0.000 1.148 481 S CA 0.561 58.794 58.200 0.055 0.000 0.868 481 S CB 1.738 65.052 63.200 0.190 0.000 1.115 481 S HN 1.525 nan 8.310 nan 0.000 0.461 482 V N 0.647 120.634 119.914 0.123 0.000 3.359 482 V HA 0.627 4.400 4.120 -0.578 0.000 0.270 482 V C 1.425 177.481 176.094 -0.063 0.000 1.583 482 V CA 0.531 62.910 62.300 0.132 0.000 1.019 482 V CB -0.162 31.670 31.823 0.015 0.000 0.831 482 V HN 2.005 nan 8.190 nan 0.000 0.426 483 G N 1.112 109.676 108.800 -0.395 0.000 2.176 483 G HA2 -0.133 3.480 3.960 -0.578 0.000 0.253 483 G HA3 -0.133 3.480 3.960 -0.578 0.000 0.253 483 G C 0.253 174.557 174.900 -0.993 0.000 0.979 483 G CA 0.792 45.097 45.100 -1.325 0.000 0.641 483 G HN 1.897 nan 8.290 nan 0.000 0.530 484 V N -4.466 115.087 119.914 -0.603 0.000 3.203 484 V HA 0.652 4.425 4.120 -0.578 0.000 0.305 484 V C -0.010 175.876 176.094 -0.347 0.000 1.361 484 V CA -1.541 60.382 62.300 -0.629 0.000 1.066 484 V CB 1.186 32.565 31.823 -0.740 0.000 1.085 484 V HN 0.137 nan 8.190 nan 0.000 0.456 485 N N 3.071 121.588 118.700 -0.305 0.000 2.411 485 N HA 0.155 4.548 4.740 -0.578 0.000 0.265 485 N C -1.587 173.754 175.510 -0.282 0.000 1.266 485 N CA -0.133 52.789 53.050 -0.212 0.000 0.889 485 N CB 1.505 39.871 38.487 -0.202 0.000 1.069 485 N HN 0.677 nan 8.380 nan 0.000 0.476 486 P HA -0.158 nan 4.420 nan 0.000 0.222 486 P C 1.392 178.595 177.300 -0.161 0.000 1.147 486 P CA 1.063 64.075 63.100 -0.146 0.000 0.790 486 P CB -0.059 31.600 31.700 -0.068 0.000 0.780 487 F N 0.030 119.811 119.950 -0.282 0.000 2.269 487 F HA -0.080 4.100 4.527 -0.580 0.000 0.301 487 F C 1.718 177.307 175.800 -0.352 0.000 1.082 487 F CA 0.571 58.237 58.000 -0.557 0.000 1.360 487 F CB -1.930 36.324 39.000 -1.242 0.000 1.041 487 F HN -0.293 nan 8.300 nan 0.000 0.512 488 V N 0.684 120.492 119.914 -0.177 0.000 2.379 488 V HA -0.225 3.548 4.120 -0.578 0.000 0.245 488 V C 2.432 178.627 176.094 0.168 0.000 1.044 488 V CA 2.306 64.641 62.300 0.058 0.000 1.036 488 V CB -1.086 30.697 31.823 -0.067 0.000 0.664 488 V HN 0.491 nan 8.190 nan 0.000 0.453 489 T N 0.445 115.082 114.554 0.137 0.000 2.746 489 T HA -0.111 3.892 4.350 -0.578 0.000 0.267 489 T C 1.836 176.586 174.700 0.083 0.000 1.039 489 T CA 1.678 63.917 62.100 0.231 0.000 1.142 489 T CB -0.257 68.729 68.868 0.196 0.000 0.866 489 T HN 0.329 nan 8.240 nan 0.000 0.444 490 I N 1.186 121.780 120.570 0.040 0.000 2.226 490 I HA -0.182 3.641 4.170 -0.578 0.000 0.245 490 I C 2.646 178.780 176.117 0.027 0.000 1.100 490 I CA 1.161 62.475 61.300 0.024 0.000 1.374 490 I CB -0.676 37.332 38.000 0.014 0.000 1.057 490 I HN 0.273 nan 8.210 nan 0.000 0.413 491 T N 0.703 115.296 114.554 0.066 0.000 2.770 491 T HA -0.068 3.935 4.350 -0.578 0.000 0.263 491 T C 2.090 176.797 174.700 0.012 0.000 1.039 491 T CA 1.325 63.466 62.100 0.069 0.000 1.142 491 T CB -0.279 68.715 68.868 0.210 0.000 0.868 491 T HN 0.451 nan 8.240 nan 0.000 0.435 492 A N 1.154 123.970 122.820 -0.007 0.000 1.933 492 A HA 0.025 3.998 4.320 -0.578 0.000 0.218 492 A C 2.220 179.661 177.584 -0.238 0.000 1.175 492 A CA 1.076 53.026 52.037 -0.144 0.000 0.628 492 A CB -0.762 17.956 19.000 -0.469 0.000 0.814 492 A HN 0.368 nan 8.150 nan 0.000 0.444 493 L N -0.372 120.731 121.223 -0.201 0.000 2.093 493 L HA -0.022 3.971 4.340 -0.578 0.000 0.208 493 L C 2.712 179.482 176.870 -0.166 0.000 1.085 493 L CA 1.918 56.648 54.840 -0.183 0.000 0.755 493 L CB -0.697 41.312 42.059 -0.082 0.000 0.904 493 L HN 0.349 nan 8.230 nan 0.000 0.435 494 A N -1.177 121.577 122.820 -0.110 0.000 1.930 494 A HA -0.152 3.821 4.320 -0.578 0.000 0.217 494 A C 2.150 179.661 177.584 -0.123 0.000 1.175 494 A CA 1.419 53.402 52.037 -0.090 0.000 0.627 494 A CB -0.436 18.517 19.000 -0.078 0.000 0.815 494 A HN 0.473 nan 8.150 nan 0.000 0.443 495 E N -0.269 119.850 120.200 -0.135 0.000 2.051 495 E HA -0.208 3.795 4.350 -0.578 0.000 0.192 495 E C 2.218 178.626 176.600 -0.320 0.000 0.991 495 E CA 1.276 57.616 56.400 -0.100 0.000 0.799 495 E CB -0.383 29.358 29.700 0.069 0.000 0.748 495 E HN 0.707 nan 8.360 nan 0.000 0.449 496 R N 0.871 120.938 120.500 -0.722 0.000 2.083 496 R HA -0.146 3.847 4.340 -0.578 0.000 0.237 496 R C 1.854 177.954 176.300 -0.333 0.000 1.137 496 R CA 1.721 57.165 56.100 -1.093 0.000 0.951 496 R CB -0.055 29.649 30.300 -0.994 0.000 0.851 496 R HN 0.081 nan 8.270 nan 0.000 0.434 497 N N 0.400 119.010 118.700 -0.151 0.000 2.080 497 N HA -0.151 4.242 4.740 -0.578 0.000 0.189 497 N C 1.757 177.251 175.510 -0.027 0.000 1.036 497 N CA 1.285 54.358 53.050 0.039 0.000 0.846 497 N CB -0.731 37.776 38.487 0.033 0.000 1.015 497 N HN 0.089 nan 8.380 nan 0.000 0.423 498 V N 1.704 121.582 119.914 -0.061 0.000 2.407 498 V HA -0.213 3.560 4.120 -0.578 0.000 0.248 498 V C 2.328 178.369 176.094 -0.088 0.000 1.055 498 V CA 1.866 64.125 62.300 -0.068 0.000 1.049 498 V CB -0.312 31.460 31.823 -0.085 0.000 0.662 498 V HN 0.347 nan 8.190 nan 0.000 0.455 499 E N -0.115 120.041 120.200 -0.074 0.000 2.051 499 E HA -0.315 3.688 4.350 -0.578 0.000 0.192 499 E C 2.355 178.910 176.600 -0.075 0.000 0.991 499 E CA 1.640 58.015 56.400 -0.041 0.000 0.799 499 E CB -0.214 29.508 29.700 0.037 0.000 0.748 499 E HN 0.485 nan 8.360 nan 0.000 0.449 500 R N 0.853 121.283 120.500 -0.116 0.000 2.081 500 R HA -0.071 3.922 4.340 -0.578 0.000 0.235 500 R C 2.193 178.368 176.300 -0.209 0.000 1.131 500 R CA 1.565 57.532 56.100 -0.220 0.000 0.960 500 R CB -0.655 29.353 30.300 -0.487 0.000 0.856 500 R HN 0.317 nan 8.270 nan 0.000 0.436 501 I N -0.005 120.452 120.570 -0.189 0.000 2.179 501 I HA -0.269 3.554 4.170 -0.578 0.000 0.242 501 I C 2.136 178.153 176.117 -0.167 0.000 1.088 501 I CA 1.405 62.578 61.300 -0.210 0.000 1.357 501 I CB -0.241 37.534 38.000 -0.376 0.000 1.051 501 I HN 0.160 nan 8.210 nan 0.000 0.409 502 I N 0.533 121.017 120.570 -0.143 0.000 2.286 502 I HA -0.293 3.530 4.170 -0.578 0.000 0.248 502 I C 2.485 178.546 176.117 -0.094 0.000 1.115 502 I CA 1.455 62.679 61.300 -0.128 0.000 1.392 502 I CB -0.354 37.578 38.000 -0.113 0.000 1.065 502 I HN 0.193 nan 8.210 nan 0.000 0.418 503 K N 0.219 120.569 120.400 -0.084 0.000 2.001 503 K HA -0.160 3.813 4.320 -0.578 0.000 0.208 503 K C 2.225 178.794 176.600 -0.051 0.000 1.048 503 K CA 1.145 57.395 56.287 -0.061 0.000 0.932 503 K CB -0.054 32.408 32.500 -0.063 0.000 0.715 503 K HN 0.282 nan 8.250 nan 0.000 0.437 504 Q N 0.492 120.252 119.800 -0.066 0.000 2.165 504 Q HA -0.059 3.934 4.340 -0.578 0.000 0.197 504 Q C 1.386 177.389 176.000 0.005 0.000 0.952 504 Q CA 1.280 57.060 55.803 -0.038 0.000 0.848 504 Q CB 0.008 28.709 28.738 -0.062 0.000 0.931 504 Q HN 0.315 nan 8.270 nan 0.000 0.470 505 D N 0.229 120.634 120.400 0.009 0.000 2.269 505 D HA 0.030 4.323 4.640 -0.578 0.000 0.220 505 D C 1.029 177.384 176.300 0.091 0.000 0.962 505 D CA 0.290 54.345 54.000 0.091 0.000 0.884 505 D CB 0.264 41.166 40.800 0.170 0.000 1.023 505 D HN -0.057 nan 8.370 nan 0.000 0.484 506 V N 0.000 119.878 119.914 -0.060 0.000 2.409 506 V HA 0.000 3.773 4.120 -0.578 0.000 0.244 506 V CA 0.000 62.200 62.300 -0.166 0.000 1.235 506 V CB 0.000 31.585 31.823 -0.396 0.000 1.184 506 V HN 0.000 nan 8.190 nan 0.000 0.556