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 1pl0_1_A DATA FIRST_RESID 4 DATA SEQUENCE GQLALFSVSD KTGLVEFARN LTALGLNLVA SGGTAKALRD AGLAVRDVSE DATA SEQUENCE LTGFPEMLGG RVKTLHPAVH AGILARNIPE DNADMARLDF NLIRVVACNL DATA SEQUENCE YPFVKTVASP GVTVEEAVEQ IDIGGVTLLR AAAKNHARVT VVCEPEDYVV DATA SEQUENCE VSTEMQSSES KDTSLETRRQ LALKAFTHTA QYDEAISDYF RKQYSKGVSQ DATA SEQUENCE MPLRYGMNPH QTPAQLYTLQ PKLPITVLNG APGFINLCDA LNAWQLVKEL DATA SEQUENCE KEALGIPAAA SFKHVSPAGA AVGIPLSEDE AKVCMVYDLY KTLTPISAAY DATA SEQUENCE ARARGADRMS SFGDFVALSD VCDVPTAKII SREVSDGIIA PGYEEEALTI DATA SEQUENCE LSKKKNGNYC VLQMDQSYKP DENEVRTLFG LHLSQKRNNG VVDKSLFSNV DATA SEQUENCE VTKNKDLPES ALRDLIVATI AVKYTQSNSV CYAKNGQVIG IGAGQQSRIH DATA SEQUENCE CTRLAGDKAN YWWLRHHPQV LSMKFKTGVK RAEISNAIDQ YVTGTIGEDE DATA SEQUENCE DLIKWKALFE EVPELLTEAE KKEWVEKLTE VSISSDAFFP FRDNVDRAKR DATA SEQUENCE SGVAYIAAPS GSAADKVVIE ACDELGIILA HTNLRLFHH 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 4.042 3.960 0.136 0.000 0.244 4 G C 0.000 174.904 174.900 0.006 0.000 0.946 4 G CA 0.000 45.102 45.100 0.003 0.000 0.502 5 Q N 0.787 120.589 119.800 0.003 0.000 2.340 5 Q HA 0.628 5.049 4.340 0.136 0.000 0.249 5 Q C 0.189 176.189 176.000 0.001 0.000 0.957 5 Q CA -0.121 55.684 55.803 0.004 0.000 0.882 5 Q CB 0.992 29.730 28.738 -0.000 0.000 1.235 5 Q HN 0.558 nan 8.270 nan 0.000 0.439 6 L N 1.521 122.746 121.223 0.003 0.000 2.375 6 L HA 0.758 5.180 4.340 0.136 0.000 0.268 6 L C -0.669 176.199 176.870 -0.003 0.000 1.058 6 L CA -0.920 53.923 54.840 0.005 0.000 0.803 6 L CB 1.578 43.642 42.059 0.008 0.000 1.212 6 L HN 0.692 nan 8.230 nan 0.000 0.451 7 A N 2.839 125.675 122.820 0.027 0.000 2.457 7 A HA 0.534 4.936 4.320 0.136 0.000 0.283 7 A C -1.233 176.420 177.584 0.116 0.000 1.166 7 A CA -0.428 51.623 52.037 0.023 0.000 0.740 7 A CB 1.028 20.073 19.000 0.076 0.000 1.181 7 A HN 0.456 nan 8.150 nan 0.000 0.446 8 L N 3.226 124.432 121.223 -0.029 0.000 2.281 8 L HA 0.745 5.167 4.340 0.136 0.000 0.285 8 L C -1.459 175.364 176.870 -0.079 0.000 1.074 8 L CA -0.195 54.657 54.840 0.020 0.000 0.817 8 L CB -0.267 41.760 42.059 -0.053 0.000 1.168 8 L HN 0.478 nan 8.230 nan 0.000 0.434 9 F N 3.461 123.365 119.950 -0.076 0.000 2.469 9 F HA 0.654 5.263 4.527 0.136 0.000 0.332 9 F C 0.495 176.278 175.800 -0.027 0.000 1.103 9 F CA -0.621 57.348 58.000 -0.051 0.000 0.979 9 F CB 1.994 40.954 39.000 -0.066 0.000 1.137 9 F HN 0.456 nan 8.300 nan 0.000 0.463 10 S N 2.652 118.430 115.700 0.130 0.000 2.666 10 S HA 0.491 5.043 4.470 0.136 0.000 0.165 10 S C -1.652 172.983 174.600 0.059 0.000 0.865 10 S CA -0.579 57.668 58.200 0.079 0.000 1.038 10 S CB -0.128 63.086 63.200 0.023 0.000 1.507 10 S HN 0.686 nan 8.310 nan 0.000 0.422 11 V N 1.593 121.568 119.914 0.102 0.000 2.680 11 V HA 0.769 4.971 4.120 0.136 0.000 0.309 11 V C 0.744 176.902 176.094 0.107 0.000 1.052 11 V CA -0.541 61.816 62.300 0.095 0.000 0.908 11 V CB 1.741 33.654 31.823 0.151 0.000 1.001 11 V HN 0.418 nan 8.190 nan 0.000 0.431 12 S N 1.157 116.917 115.700 0.100 0.000 2.503 12 S HA 0.103 4.655 4.470 0.136 0.000 0.217 12 S C 0.379 175.043 174.600 0.107 0.000 0.999 12 S CA 0.919 59.204 58.200 0.141 0.000 0.914 12 S CB -0.163 63.155 63.200 0.197 0.000 0.782 12 S HN 1.017 nan 8.310 nan 0.000 0.520 13 D N 0.781 121.233 120.400 0.087 0.000 2.454 13 D HA 0.348 5.070 4.640 0.136 0.000 0.247 13 D C 0.086 176.445 176.300 0.100 0.000 1.129 13 D CA -0.403 53.641 54.000 0.072 0.000 0.877 13 D CB 0.833 41.656 40.800 0.038 0.000 1.082 13 D HN -0.272 nan 8.370 nan 0.000 0.537 14 K N 0.916 121.379 120.400 0.105 0.000 2.525 14 K HA 0.100 4.502 4.320 0.136 0.000 0.192 14 K C 0.384 177.072 176.600 0.147 0.000 1.029 14 K CA 0.177 56.544 56.287 0.135 0.000 1.029 14 K CB -0.117 32.443 32.500 0.101 0.000 0.814 14 K HN 0.331 nan 8.250 nan 0.000 0.503 15 T N 1.420 116.038 114.554 0.105 0.000 2.738 15 T HA 0.153 4.585 4.350 0.136 0.000 0.277 15 T C 1.253 176.040 174.700 0.145 0.000 0.981 15 T CA 1.193 63.344 62.100 0.085 0.000 1.211 15 T CB -0.092 68.789 68.868 0.023 0.000 0.932 15 T HN 0.616 nan 8.240 nan 0.000 0.522 16 G N 2.952 111.852 108.800 0.167 0.000 2.184 16 G HA2 -0.293 3.749 3.960 0.136 0.000 0.264 16 G HA3 -0.293 3.749 3.960 0.136 0.000 0.264 16 G C 0.834 175.969 174.900 0.392 0.000 0.975 16 G CA 0.442 45.692 45.100 0.249 0.000 0.642 16 G HN 0.712 nan 8.290 nan 0.000 0.536 17 L N 0.674 122.109 121.223 0.353 0.000 2.017 17 L HA 0.118 4.540 4.340 0.136 0.000 0.208 17 L C 2.796 179.773 176.870 0.179 0.000 1.073 17 L CA 2.761 57.791 54.840 0.317 0.000 0.745 17 L CB -0.730 41.491 42.059 0.270 0.000 0.894 17 L HN 0.219 nan 8.230 nan 0.000 0.432 18 V N 0.583 120.563 119.914 0.110 0.000 2.231 18 V HA -0.353 3.849 4.120 0.136 0.000 0.248 18 V C 3.094 179.221 176.094 0.055 0.000 1.054 18 V CA 2.600 64.922 62.300 0.038 0.000 1.015 18 V CB -1.554 30.286 31.823 0.029 0.000 0.638 18 V HN 0.710 nan 8.190 nan 0.000 0.444 19 E N -0.885 119.376 120.200 0.102 0.000 2.086 19 E HA -0.367 4.065 4.350 0.136 0.000 0.200 19 E C 2.058 178.762 176.600 0.174 0.000 1.012 19 E CA 2.184 58.654 56.400 0.116 0.000 0.812 19 E CB -1.105 28.670 29.700 0.126 0.000 0.743 19 E HN 0.704 nan 8.360 nan 0.000 0.453 20 F N 0.596 120.544 119.950 -0.003 0.000 2.171 20 F HA -0.011 4.598 4.527 0.136 0.000 0.300 20 F C 2.731 178.537 175.800 0.010 0.000 1.090 20 F CA 1.143 59.102 58.000 -0.068 0.000 1.293 20 F CB -0.042 38.718 39.000 -0.401 0.000 1.013 20 F HN 0.358 nan 8.300 nan 0.000 0.486 21 A N 0.841 123.665 122.820 0.006 0.000 1.877 21 A HA -0.196 4.206 4.320 0.136 0.000 0.216 21 A C 2.173 179.668 177.584 -0.149 0.000 1.186 21 A CA 1.580 53.483 52.037 -0.224 0.000 0.620 21 A CB -0.721 18.049 19.000 -0.384 0.000 0.822 21 A HN 0.401 nan 8.150 nan 0.000 0.443 22 R N -0.246 120.215 120.500 -0.065 0.000 2.082 22 R HA -0.139 4.283 4.340 0.136 0.000 0.234 22 R C 2.054 178.343 176.300 -0.018 0.000 1.136 22 R CA 1.526 57.603 56.100 -0.040 0.000 0.935 22 R CB -0.554 29.743 30.300 -0.006 0.000 0.842 22 R HN 0.551 nan 8.270 nan 0.000 0.430 23 N N 1.052 119.770 118.700 0.030 0.000 2.037 23 N HA -0.204 4.618 4.740 0.136 0.000 0.196 23 N C 1.961 177.475 175.510 0.007 0.000 1.034 23 N CA 1.448 54.530 53.050 0.052 0.000 0.861 23 N CB -0.385 38.190 38.487 0.146 0.000 1.039 23 N HN 0.221 nan 8.380 nan 0.000 0.427 24 L N 0.749 121.936 121.223 -0.059 0.000 2.141 24 L HA -0.105 4.317 4.340 0.136 0.000 0.209 24 L C 2.232 179.061 176.870 -0.069 0.000 1.094 24 L CA 0.950 55.731 54.840 -0.099 0.000 0.763 24 L CB -0.701 41.224 42.059 -0.224 0.000 0.908 24 L HN 0.176 nan 8.230 nan 0.000 0.437 25 T N -0.036 114.473 114.554 -0.075 0.000 2.737 25 T HA -0.153 4.279 4.350 0.136 0.000 0.265 25 T C 2.094 176.770 174.700 -0.039 0.000 1.038 25 T CA 1.275 63.336 62.100 -0.066 0.000 1.144 25 T CB -0.262 68.559 68.868 -0.079 0.000 0.866 25 T HN 0.435 nan 8.240 nan 0.000 0.434 26 A N 1.491 124.295 122.820 -0.028 0.000 1.883 26 A HA -0.007 4.395 4.320 0.136 0.000 0.217 26 A C 1.933 179.512 177.584 -0.009 0.000 1.186 26 A CA 1.261 53.290 52.037 -0.013 0.000 0.624 26 A CB -0.992 18.006 19.000 -0.003 0.000 0.822 26 A HN 0.454 nan 8.150 nan 0.000 0.444 27 L N 0.236 121.454 121.223 -0.007 0.000 2.821 27 L HA 0.143 4.565 4.340 0.136 0.000 0.254 27 L C 1.333 178.198 176.870 -0.008 0.000 1.151 27 L CA 0.725 55.564 54.840 -0.002 0.000 0.937 27 L CB -1.023 41.039 42.059 0.005 0.000 1.141 27 L HN 0.583 nan 8.230 nan 0.000 0.425 28 G N 0.442 109.234 108.800 -0.013 0.000 2.351 28 G HA2 -0.267 3.774 3.960 0.136 0.000 0.297 28 G HA3 -0.267 3.774 3.960 0.136 0.000 0.297 28 G C -0.280 174.610 174.900 -0.017 0.000 1.054 28 G CA -0.107 44.985 45.100 -0.014 0.000 1.123 28 G HN 0.265 nan 8.290 nan 0.000 0.512 29 L N 0.247 121.455 121.223 -0.025 0.000 2.410 29 L HA 0.392 4.814 4.340 0.136 0.000 0.270 29 L C -0.360 176.493 176.870 -0.028 0.000 0.983 29 L CA -1.194 53.632 54.840 -0.024 0.000 0.822 29 L CB 1.690 43.731 42.059 -0.028 0.000 1.285 29 L HN 0.144 nan 8.230 nan 0.000 0.409 30 N N 3.565 122.253 118.700 -0.019 0.000 2.488 30 N HA 0.334 5.155 4.740 0.136 0.000 0.274 30 N C -0.759 174.740 175.510 -0.018 0.000 1.111 30 N CA -0.546 52.489 53.050 -0.025 0.000 0.974 30 N CB 1.647 40.125 38.487 -0.015 0.000 1.089 30 N HN 0.208 nan 8.380 nan 0.000 0.465 31 L N 2.108 123.297 121.223 -0.056 0.000 2.312 31 L HA 0.423 4.845 4.340 0.136 0.000 0.281 31 L C 0.149 176.990 176.870 -0.048 0.000 1.070 31 L CA -0.574 54.222 54.840 -0.074 0.000 0.805 31 L CB 1.277 43.171 42.059 -0.276 0.000 1.174 31 L HN 0.197 nan 8.230 nan 0.000 0.434 32 V N 2.386 122.319 119.914 0.032 0.000 2.638 32 V HA 0.939 5.141 4.120 0.136 0.000 0.306 32 V C -0.170 175.972 176.094 0.080 0.000 1.052 32 V CA -0.497 61.821 62.300 0.029 0.000 0.885 32 V CB 1.562 33.402 31.823 0.028 0.000 0.999 32 V HN 0.953 nan 8.190 nan 0.000 0.424 33 A N 3.324 126.164 122.820 0.032 0.000 2.564 33 A HA 0.985 5.387 4.320 0.136 0.000 0.288 33 A C -0.259 177.346 177.584 0.035 0.000 1.164 33 A CA -0.261 51.812 52.037 0.060 0.000 0.712 33 A CB 1.967 20.985 19.000 0.029 0.000 1.303 33 A HN 1.027 nan 8.150 nan 0.000 0.418 34 S N -0.655 115.074 115.700 0.048 0.000 2.687 34 S HA 0.591 5.142 4.470 0.136 0.000 0.283 34 S C 1.350 175.974 174.600 0.041 0.000 1.170 34 S CA 0.008 58.233 58.200 0.043 0.000 1.008 34 S CB 0.920 64.153 63.200 0.053 0.000 1.026 34 S HN 2.111 nan 8.310 nan 0.000 0.541 35 G N 1.472 110.296 108.800 0.041 0.000 2.870 35 G HA2 -0.306 3.736 3.960 0.136 0.000 0.237 35 G HA3 -0.306 3.736 3.960 0.136 0.000 0.237 35 G C 1.406 176.328 174.900 0.035 0.000 1.209 35 G CA 1.307 46.429 45.100 0.036 0.000 0.769 35 G HN 1.241 nan 8.290 nan 0.000 0.704 36 G N -0.725 108.105 108.800 0.049 0.000 2.476 36 G HA2 -0.162 3.880 3.960 0.136 0.000 0.218 36 G HA3 -0.162 3.880 3.960 0.136 0.000 0.218 36 G C 1.894 176.820 174.900 0.043 0.000 1.164 36 G CA 2.068 47.196 45.100 0.048 0.000 0.768 36 G HN 0.508 nan 8.290 nan 0.000 0.560 37 T N 1.543 116.130 114.554 0.055 0.000 2.708 37 T HA 0.040 4.472 4.350 0.136 0.000 0.266 37 T C 2.835 177.540 174.700 0.007 0.000 1.037 37 T CA 1.558 63.690 62.100 0.052 0.000 1.146 37 T CB -0.416 68.505 68.868 0.089 0.000 0.865 37 T HN 0.393 nan 8.240 nan 0.000 0.435 38 A N 1.632 124.451 122.820 -0.002 0.000 1.908 38 A HA -0.152 4.250 4.320 0.136 0.000 0.218 38 A C 2.210 179.773 177.584 -0.035 0.000 1.181 38 A CA 2.059 54.075 52.037 -0.035 0.000 0.627 38 A CB -0.572 18.414 19.000 -0.023 0.000 0.818 38 A HN 0.490 nan 8.150 nan 0.000 0.445 39 K N -0.420 119.972 120.400 -0.013 0.000 2.147 39 K HA -0.052 4.350 4.320 0.136 0.000 0.205 39 K C 2.036 178.627 176.600 -0.014 0.000 1.049 39 K CA 1.126 57.406 56.287 -0.012 0.000 0.936 39 K CB -0.283 32.218 32.500 0.000 0.000 0.722 39 K HN 0.388 nan 8.250 nan 0.000 0.446 40 A N 0.980 123.795 122.820 -0.009 0.000 1.929 40 A HA -0.050 4.352 4.320 0.136 0.000 0.216 40 A C 2.015 179.581 177.584 -0.030 0.000 1.176 40 A CA 0.931 52.964 52.037 -0.006 0.000 0.628 40 A CB -0.393 18.616 19.000 0.016 0.000 0.816 40 A HN 0.284 nan 8.150 nan 0.000 0.444 41 L N -1.231 119.954 121.223 -0.063 0.000 2.109 41 L HA -0.122 4.300 4.340 0.136 0.000 0.207 41 L C 2.796 179.615 176.870 -0.084 0.000 1.086 41 L CA 1.179 55.955 54.840 -0.107 0.000 0.760 41 L CB -0.430 41.511 42.059 -0.196 0.000 0.910 41 L HN 0.314 nan 8.230 nan 0.000 0.437 42 R N 0.085 120.544 120.500 -0.067 0.000 2.096 42 R HA -0.135 4.287 4.340 0.136 0.000 0.235 42 R C 1.392 177.670 176.300 -0.038 0.000 1.127 42 R CA 1.266 57.334 56.100 -0.052 0.000 0.968 42 R CB -0.252 30.023 30.300 -0.042 0.000 0.861 42 R HN 0.335 nan 8.270 nan 0.000 0.440 43 D N -0.130 120.253 120.400 -0.029 0.000 2.378 43 D HA -0.035 4.686 4.640 0.136 0.000 0.227 43 D C 0.695 176.983 176.300 -0.020 0.000 1.012 43 D CA 0.611 54.599 54.000 -0.019 0.000 0.905 43 D CB 0.397 41.191 40.800 -0.011 0.000 0.895 43 D HN 0.266 nan 8.370 nan 0.000 0.532 44 A N -0.552 122.250 122.820 -0.030 0.000 2.470 44 A HA 0.513 4.915 4.320 0.136 0.000 0.251 44 A C 1.633 179.195 177.584 -0.035 0.000 1.245 44 A CA 0.420 52.439 52.037 -0.029 0.000 0.932 44 A CB 0.231 19.211 19.000 -0.034 0.000 1.037 44 A HN 0.130 nan 8.150 nan 0.000 0.522 45 G N -0.511 108.267 108.800 -0.037 0.000 2.148 45 G HA2 -0.224 3.818 3.960 0.136 0.000 0.254 45 G HA3 -0.224 3.818 3.960 0.136 0.000 0.254 45 G C 0.113 174.983 174.900 -0.051 0.000 0.981 45 G CA 0.517 45.594 45.100 -0.038 0.000 0.670 45 G HN 0.463 nan 8.290 nan 0.000 0.528 46 L N 0.357 121.538 121.223 -0.070 0.000 2.399 46 L HA 0.690 5.112 4.340 0.136 0.000 0.266 46 L C 1.051 177.866 176.870 -0.092 0.000 1.114 46 L CA -0.387 54.397 54.840 -0.093 0.000 0.804 46 L CB 1.378 43.355 42.059 -0.137 0.000 1.146 46 L HN 0.285 nan 8.230 nan 0.000 0.451 47 A N 2.269 125.034 122.820 -0.092 0.000 2.331 47 A HA 0.624 5.026 4.320 0.136 0.000 0.283 47 A C -0.669 176.851 177.584 -0.105 0.000 1.142 47 A CA -0.361 51.628 52.037 -0.081 0.000 0.812 47 A CB 1.239 20.200 19.000 -0.064 0.000 1.074 47 A HN 0.489 nan 8.150 nan 0.000 0.497 48 V N 4.014 123.874 119.914 -0.090 0.000 2.809 48 V HA 0.434 4.636 4.120 0.136 0.000 0.290 48 V C -0.780 175.275 176.094 -0.065 0.000 1.305 48 V CA -0.652 61.588 62.300 -0.100 0.000 0.939 48 V CB 1.614 33.350 31.823 -0.144 0.000 1.081 48 V HN 1.088 nan 8.190 nan 0.000 0.439 49 R N 3.404 123.874 120.500 -0.050 0.000 2.500 49 R HA 0.648 5.069 4.340 0.136 0.000 0.275 49 R C 0.249 176.534 176.300 -0.025 0.000 1.051 49 R CA 0.358 56.439 56.100 -0.031 0.000 1.088 49 R CB 0.777 31.065 30.300 -0.020 0.000 1.063 49 R HN 0.915 nan 8.270 nan 0.000 0.511 50 D N 0.488 120.878 120.400 -0.017 0.000 2.313 50 D HA 0.178 4.900 4.640 0.136 0.000 0.247 50 D C 1.088 177.384 176.300 -0.006 0.000 1.094 50 D CA -0.637 53.357 54.000 -0.009 0.000 0.925 50 D CB 0.913 41.711 40.800 -0.005 0.000 1.188 50 D HN 0.314 nan 8.370 nan 0.000 0.430 51 V N 0.858 120.772 119.914 -0.001 0.000 2.867 51 V HA -0.159 4.043 4.120 0.136 0.000 0.260 51 V C 2.833 178.918 176.094 -0.016 0.000 1.099 51 V CA 2.071 64.365 62.300 -0.010 0.000 1.122 51 V CB -0.697 31.120 31.823 -0.010 0.000 0.708 51 V HN 0.831 nan 8.190 nan 0.000 0.490 52 S N 0.122 115.820 115.700 -0.002 0.000 2.428 52 S HA -0.186 4.365 4.470 0.136 0.000 0.230 52 S C 1.750 176.339 174.600 -0.018 0.000 1.014 52 S CA 1.250 59.450 58.200 0.001 0.000 0.957 52 S CB -0.329 62.880 63.200 0.015 0.000 0.784 52 S HN 0.740 nan 8.310 nan 0.000 0.499 53 E N 0.029 120.220 120.200 -0.015 0.000 2.494 53 E HA 0.162 4.594 4.350 0.136 0.000 0.193 53 E C 1.324 177.921 176.600 -0.005 0.000 1.074 53 E CA 0.024 56.416 56.400 -0.014 0.000 0.867 53 E CB 0.056 29.750 29.700 -0.011 0.000 0.924 53 E HN 0.567 nan 8.360 nan 0.000 0.502 54 L N -0.786 120.430 121.223 -0.011 0.000 2.547 54 L HA 0.057 4.478 4.340 0.136 0.000 0.218 54 L C 2.312 179.174 176.870 -0.013 0.000 1.048 54 L CA 1.052 55.901 54.840 0.014 0.000 0.859 54 L CB 0.331 42.392 42.059 0.004 0.000 1.128 54 L HN 0.127 nan 8.230 nan 0.000 0.483 55 T N -4.294 110.179 114.554 -0.136 0.000 2.939 55 T HA 0.274 4.706 4.350 0.136 0.000 0.254 55 T C 1.520 176.070 174.700 -0.249 0.000 1.041 55 T CA 0.678 62.502 62.100 -0.460 0.000 1.142 55 T CB 0.204 68.754 68.868 -0.531 0.000 0.874 55 T HN 0.439 nan 8.240 nan 0.000 0.452 56 G N 0.711 109.448 108.800 -0.105 0.000 2.179 56 G HA2 -0.105 3.937 3.960 0.136 0.000 0.220 56 G HA3 -0.105 3.937 3.960 0.136 0.000 0.220 56 G C -0.166 174.546 174.900 -0.313 0.000 0.990 56 G CA -0.290 44.710 45.100 -0.166 0.000 0.646 56 G HN 0.531 nan 8.290 nan 0.000 0.517 57 F N 1.437 121.334 119.950 -0.088 0.000 2.482 57 F HA 0.630 5.239 4.527 0.138 0.000 0.331 57 F C -1.867 173.918 175.800 -0.025 0.000 1.115 57 F CA -2.315 55.668 58.000 -0.028 0.000 0.955 57 F CB 2.053 41.056 39.000 0.005 0.000 1.136 57 F HN -0.157 nan 8.300 nan 0.000 0.452 58 P HA 0.156 nan 4.420 nan 0.000 0.277 58 P C -0.947 176.422 177.300 0.115 0.000 1.271 58 P CA -0.661 62.494 63.100 0.092 0.000 0.795 58 P CB 0.549 32.285 31.700 0.061 0.000 1.101 59 E N 0.939 121.187 120.200 0.080 0.000 2.344 59 E HA 0.228 4.660 4.350 0.136 0.000 0.270 59 E C 0.084 176.732 176.600 0.079 0.000 1.021 59 E CA 0.217 56.663 56.400 0.077 0.000 0.887 59 E CB 0.263 30.002 29.700 0.063 0.000 0.997 59 E HN 0.421 nan 8.360 nan 0.000 0.429 60 M N 0.274 119.923 119.600 0.081 0.000 2.745 60 M HA 0.401 4.963 4.480 0.136 0.000 0.290 60 M C -0.282 176.056 176.300 0.063 0.000 1.262 60 M CA -0.851 54.494 55.300 0.075 0.000 0.795 60 M CB 1.429 34.085 32.600 0.092 0.000 1.758 60 M HN 0.504 nan 8.290 nan 0.000 0.461 61 L N 0.457 121.713 121.223 0.057 0.000 3.839 61 L HA -0.210 4.211 4.340 0.136 0.000 0.416 61 L C 0.698 177.598 176.870 0.051 0.000 1.195 61 L CA 0.942 55.813 54.840 0.051 0.000 0.946 61 L CB -2.538 39.551 42.059 0.050 0.000 1.891 61 L HN 1.315 nan 8.230 nan 0.000 0.963 62 G N -0.391 108.437 108.800 0.048 0.000 2.367 62 G HA2 0.105 4.147 3.960 0.136 0.000 0.295 62 G HA3 0.105 4.147 3.960 0.136 0.000 0.295 62 G C 1.032 175.963 174.900 0.051 0.000 1.019 62 G CA 0.567 45.692 45.100 0.042 0.000 1.224 62 G HN 1.837 nan 8.290 nan 0.000 0.510 63 G N -0.602 108.238 108.800 0.067 0.000 2.221 63 G HA2 -0.314 3.728 3.960 0.136 0.000 0.265 63 G HA3 -0.314 3.728 3.960 0.136 0.000 0.265 63 G C 1.033 176.013 174.900 0.133 0.000 1.041 63 G CA 1.174 46.334 45.100 0.099 0.000 0.807 63 G HN 0.985 nan 8.290 nan 0.000 0.502 64 R N -1.594 118.969 120.500 0.104 0.000 2.250 64 R HA 0.307 4.728 4.340 0.136 0.000 0.194 64 R C 0.243 176.595 176.300 0.086 0.000 0.927 64 R CA 0.709 56.874 56.100 0.110 0.000 1.052 64 R CB 0.964 31.316 30.300 0.086 0.000 1.055 64 R HN 0.324 nan 8.270 nan 0.000 0.537 65 V N 1.454 121.409 119.914 0.069 0.000 2.447 65 V HA 0.283 4.484 4.120 0.136 0.000 0.292 65 V C 0.010 176.136 176.094 0.054 0.000 1.021 65 V CA -0.434 61.893 62.300 0.045 0.000 0.850 65 V CB 1.753 33.585 31.823 0.015 0.000 1.005 65 V HN 0.143 nan 8.190 nan 0.000 0.426 66 K N 1.637 122.069 120.400 0.054 0.000 2.665 66 K HA 0.114 4.516 4.320 0.136 0.000 0.197 66 K C 1.283 177.906 176.600 0.038 0.000 1.463 66 K CA 0.877 57.197 56.287 0.054 0.000 1.107 66 K CB 1.264 33.803 32.500 0.065 0.000 1.584 66 K HN 0.718 nan 8.250 nan 0.000 0.558 67 T N -1.431 113.145 114.554 0.036 0.000 3.058 67 T HA 0.302 4.734 4.350 0.136 0.000 0.278 67 T C 0.661 175.398 174.700 0.061 0.000 0.974 67 T CA -0.331 61.775 62.100 0.010 0.000 0.893 67 T CB 0.055 68.903 68.868 -0.034 0.000 1.138 67 T HN -0.083 nan 8.240 nan 0.000 0.529 68 L N 3.189 124.471 121.223 0.099 0.000 2.697 68 L HA 0.314 4.735 4.340 0.136 0.000 0.239 68 L C 0.558 177.501 176.870 0.122 0.000 1.430 68 L CA -0.062 54.863 54.840 0.141 0.000 1.193 68 L CB -0.759 41.333 42.059 0.056 0.000 1.516 68 L HN 0.443 nan 8.230 nan 0.000 0.439 69 H N -0.016 119.077 119.070 0.039 0.000 2.894 69 H HA 0.308 4.946 4.556 0.136 0.000 0.368 69 H C -2.200 173.119 175.328 -0.015 0.000 1.181 69 H CA -1.779 54.253 56.048 -0.025 0.000 1.146 69 H CB 2.811 32.548 29.762 -0.042 0.000 1.839 69 H HN -0.123 nan 8.280 nan 0.000 0.557 70 P HA -0.047 nan 4.420 nan 0.000 0.216 70 P C 1.115 178.156 177.300 -0.431 0.000 1.153 70 P CA 2.119 65.038 63.100 -0.300 0.000 0.848 70 P CB -0.002 31.499 31.700 -0.332 0.000 0.787 71 A N -0.551 122.031 122.820 -0.397 0.000 1.948 71 A HA -0.190 4.212 4.320 0.136 0.000 0.220 71 A C 2.328 179.662 177.584 -0.417 0.000 1.177 71 A CA 1.954 53.460 52.037 -0.885 0.000 0.636 71 A CB -1.715 17.152 19.000 -0.221 0.000 0.815 71 A HN 0.067 nan 8.150 nan 0.000 0.449 72 V N -0.947 118.834 119.914 -0.221 0.000 2.488 72 V HA -0.139 4.063 4.120 0.136 0.000 0.246 72 V C 2.244 178.109 176.094 -0.381 0.000 1.046 72 V CA 1.761 63.887 62.300 -0.290 0.000 1.053 72 V CB -0.813 30.809 31.823 -0.336 0.000 0.679 72 V HN 0.664 nan 8.190 nan 0.000 0.458 73 H N -0.593 118.399 119.070 -0.129 0.000 2.547 73 H HA 0.270 4.908 4.556 0.137 0.000 0.272 73 H C 2.222 177.484 175.328 -0.109 0.000 0.971 73 H CA 1.107 57.092 56.048 -0.105 0.000 1.245 73 H CB 0.210 29.919 29.762 -0.089 0.000 1.440 73 H HN 0.446 nan 8.280 nan 0.000 0.540 74 A N 0.559 123.330 122.820 -0.081 0.000 2.021 74 A HA 0.057 4.459 4.320 0.136 0.000 0.216 74 A C 2.617 180.179 177.584 -0.037 0.000 1.163 74 A CA 1.045 53.048 52.037 -0.056 0.000 0.676 74 A CB -0.607 18.338 19.000 -0.091 0.000 0.818 74 A HN 0.386 nan 8.150 nan 0.000 0.453 75 G N -0.448 108.295 108.800 -0.095 0.000 2.534 75 G HA2 0.017 4.059 3.960 0.136 0.000 0.217 75 G HA3 0.017 4.059 3.960 0.136 0.000 0.217 75 G C 1.342 176.225 174.900 -0.029 0.000 1.128 75 G CA 0.982 46.059 45.100 -0.039 0.000 0.784 75 G HN 0.471 nan 8.290 nan 0.000 0.542 76 I N -0.593 119.956 120.570 -0.036 0.000 2.947 76 I HA 0.172 4.424 4.170 0.136 0.000 0.263 76 I C 2.127 178.249 176.117 0.008 0.000 1.130 76 I CA 0.242 61.530 61.300 -0.019 0.000 1.448 76 I CB 0.113 38.101 38.000 -0.020 0.000 1.222 76 I HN 0.008 nan 8.210 nan 0.000 0.453 77 L N 1.167 122.406 121.223 0.027 0.000 2.552 77 L HA 0.147 4.568 4.340 0.136 0.000 0.227 77 L C 1.149 178.030 176.870 0.020 0.000 1.146 77 L CA -0.308 54.549 54.840 0.029 0.000 0.858 77 L CB -0.322 41.761 42.059 0.040 0.000 0.969 77 L HN 0.118 nan 8.230 nan 0.000 0.451 78 A N 0.764 123.596 122.820 0.020 0.000 2.409 78 A HA 0.453 4.855 4.320 0.136 0.000 0.262 78 A C 0.194 177.786 177.584 0.013 0.000 1.113 78 A CA -0.207 51.844 52.037 0.024 0.000 0.790 78 A CB 0.225 19.248 19.000 0.040 0.000 1.046 78 A HN 0.255 nan 8.150 nan 0.000 0.496 79 R N 1.437 121.943 120.500 0.010 0.000 2.674 79 R HA 0.292 4.714 4.340 0.136 0.000 0.266 79 R C -0.139 176.165 176.300 0.006 0.000 1.016 79 R CA -0.866 55.234 56.100 0.000 0.000 1.062 79 R CB 0.733 31.030 30.300 -0.005 0.000 1.142 79 R HN 0.775 nan 8.270 nan 0.000 0.517 80 N N 2.881 121.582 118.700 0.002 0.000 2.521 80 N HA 0.211 5.032 4.740 0.136 0.000 0.236 80 N C -0.986 174.527 175.510 0.006 0.000 1.067 80 N CA 0.048 53.102 53.050 0.006 0.000 0.939 80 N CB 0.131 38.621 38.487 0.004 0.000 1.201 80 N HN 0.488 nan 8.380 nan 0.000 0.511 81 I N 0.119 120.695 120.570 0.009 0.000 3.149 81 I HA 0.498 4.749 4.170 0.136 0.000 0.310 81 I C -2.147 173.977 176.117 0.011 0.000 1.343 81 I CA -1.828 59.477 61.300 0.008 0.000 0.955 81 I CB 2.089 40.093 38.000 0.007 0.000 1.309 81 I HN 0.014 nan 8.210 nan 0.000 0.478 82 P HA -0.249 nan 4.420 nan 0.000 0.211 82 P C 1.193 178.501 177.300 0.013 0.000 1.181 82 P CA 2.141 65.247 63.100 0.010 0.000 0.929 82 P CB -0.212 31.492 31.700 0.008 0.000 0.789 83 E N 0.730 120.938 120.200 0.013 0.000 2.070 83 E HA -0.235 4.197 4.350 0.136 0.000 0.197 83 E C 1.631 178.245 176.600 0.023 0.000 1.004 83 E CA 1.716 58.126 56.400 0.016 0.000 0.805 83 E CB -1.637 28.072 29.700 0.015 0.000 0.744 83 E HN 0.237 nan 8.360 nan 0.000 0.451 84 D N 1.471 121.886 120.400 0.025 0.000 2.087 84 D HA -0.129 4.592 4.640 0.136 0.000 0.192 84 D C 1.793 178.118 176.300 0.041 0.000 0.993 84 D CA 1.394 55.416 54.000 0.036 0.000 0.828 84 D CB -0.437 40.382 40.800 0.031 0.000 0.968 84 D HN 0.171 nan 8.370 nan 0.000 0.448 85 N N 0.399 119.118 118.700 0.031 0.000 2.192 85 N HA -0.160 4.661 4.740 0.136 0.000 0.188 85 N C 1.627 177.151 175.510 0.024 0.000 1.013 85 N CA 1.170 54.238 53.050 0.029 0.000 0.863 85 N CB -0.205 38.293 38.487 0.019 0.000 0.990 85 N HN 0.165 nan 8.380 nan 0.000 0.430 86 A N 1.554 124.386 122.820 0.020 0.000 1.873 86 A HA -0.124 4.277 4.320 0.136 0.000 0.215 86 A C 1.854 179.447 177.584 0.014 0.000 1.186 86 A CA 1.388 53.432 52.037 0.013 0.000 0.616 86 A CB -0.287 18.720 19.000 0.011 0.000 0.823 86 A HN 0.146 nan 8.150 nan 0.000 0.442 87 D N -0.289 120.129 120.400 0.030 0.000 2.144 87 D HA -0.112 4.609 4.640 0.136 0.000 0.200 87 D C 1.868 178.201 176.300 0.054 0.000 0.978 87 D CA 1.130 55.156 54.000 0.043 0.000 0.833 87 D CB -0.279 40.560 40.800 0.065 0.000 0.961 87 D HN 0.295 nan 8.370 nan 0.000 0.470 88 M N 0.404 120.049 119.600 0.076 0.000 2.394 88 M HA 0.022 4.584 4.480 0.136 0.000 0.264 88 M C 2.087 178.391 176.300 0.006 0.000 1.073 88 M CA 0.451 55.814 55.300 0.105 0.000 1.111 88 M CB -0.629 32.045 32.600 0.124 0.000 1.401 88 M HN -0.065 nan 8.290 nan 0.000 0.448 89 A N 0.720 123.534 122.820 -0.010 0.000 2.044 89 A HA -0.049 4.353 4.320 0.136 0.000 0.213 89 A C 2.021 179.566 177.584 -0.066 0.000 1.169 89 A CA 0.417 52.434 52.037 -0.034 0.000 0.724 89 A CB -0.295 18.696 19.000 -0.014 0.000 0.840 89 A HN 0.579 nan 8.150 nan 0.000 0.463 90 R N -1.115 119.347 120.500 -0.064 0.000 2.356 90 R HA 0.430 4.852 4.340 0.136 0.000 0.234 90 R C -0.000 176.221 176.300 -0.131 0.000 0.929 90 R CA 0.334 56.390 56.100 -0.074 0.000 1.084 90 R CB -0.154 30.122 30.300 -0.039 0.000 1.105 90 R HN 0.293 nan 8.270 nan 0.000 0.515 91 L N -0.245 120.832 121.223 -0.243 0.000 3.327 91 L HA 0.188 4.610 4.340 0.136 0.000 0.299 91 L C -0.450 175.987 176.870 -0.722 0.000 1.201 91 L CA 0.164 54.715 54.840 -0.483 0.000 1.059 91 L CB 0.889 42.584 42.059 -0.607 0.000 1.488 91 L HN 0.184 nan 8.230 nan 0.000 0.609 92 D N 0.400 120.543 120.400 -0.428 0.000 2.718 92 D HA -0.255 4.467 4.640 0.136 0.000 0.242 92 D C -1.004 175.135 176.300 -0.268 0.000 1.123 92 D CA 0.499 54.331 54.000 -0.281 0.000 0.690 92 D CB -1.087 39.592 40.800 -0.201 0.000 1.059 92 D HN -0.041 nan 8.370 nan 0.000 0.429 93 F N 0.992 120.958 119.950 0.027 0.000 2.411 93 F HA 0.460 5.070 4.527 0.138 0.000 0.352 93 F C 1.116 176.927 175.800 0.018 0.000 1.123 93 F CA -1.109 56.909 58.000 0.029 0.000 1.044 93 F CB 1.120 40.144 39.000 0.039 0.000 1.135 93 F HN -0.147 nan 8.300 nan 0.000 0.461 94 N N 2.016 120.849 118.700 0.221 0.000 2.483 94 N HA 0.460 5.281 4.740 0.136 0.000 0.269 94 N C -0.747 174.819 175.510 0.093 0.000 1.209 94 N CA -0.386 52.733 53.050 0.115 0.000 0.969 94 N CB 0.794 39.327 38.487 0.077 0.000 1.173 94 N HN 0.420 nan 8.380 nan 0.000 0.475 95 L N 1.848 123.104 121.223 0.056 0.000 2.349 95 L HA 0.372 4.794 4.340 0.136 0.000 0.275 95 L C 0.173 177.049 176.870 0.010 0.000 1.115 95 L CA -0.327 54.532 54.840 0.032 0.000 0.820 95 L CB 0.531 42.604 42.059 0.024 0.000 1.135 95 L HN 0.361 nan 8.230 nan 0.000 0.445 96 I N 3.000 123.565 120.570 -0.009 0.000 2.440 96 I HA 0.236 4.488 4.170 0.136 0.000 0.294 96 I C 0.991 177.092 176.117 -0.028 0.000 0.995 96 I CA -0.009 61.275 61.300 -0.027 0.000 1.306 96 I CB 1.621 39.589 38.000 -0.052 0.000 1.407 96 I HN 0.702 nan 8.210 nan 0.000 0.501 97 R N 3.905 124.385 120.500 -0.034 0.000 2.453 97 R HA 0.337 4.759 4.340 0.136 0.000 0.233 97 R C -0.936 175.337 176.300 -0.045 0.000 0.895 97 R CA 0.323 56.405 56.100 -0.030 0.000 1.028 97 R CB 1.008 31.297 30.300 -0.019 0.000 1.255 97 R HN 0.460 nan 8.270 nan 0.000 0.571 98 V N 1.442 121.308 119.914 -0.081 0.000 2.709 98 V HA 0.441 4.643 4.120 0.136 0.000 0.308 98 V C -0.878 175.106 176.094 -0.183 0.000 1.062 98 V CA -0.820 61.407 62.300 -0.122 0.000 0.901 98 V CB 2.250 33.962 31.823 -0.185 0.000 1.003 98 V HN -0.222 nan 8.190 nan 0.000 0.425 99 V N 3.344 123.161 119.914 -0.161 0.000 2.482 99 V HA 0.791 4.993 4.120 0.136 0.000 0.295 99 V C 0.063 176.056 176.094 -0.168 0.000 1.026 99 V CA -0.454 61.738 62.300 -0.180 0.000 0.856 99 V CB 1.775 33.528 31.823 -0.117 0.000 1.001 99 V HN 1.025 nan 8.190 nan 0.000 0.424 100 A N 3.861 126.528 122.820 -0.255 0.000 2.287 100 A HA 0.794 5.195 4.320 0.136 0.000 0.317 100 A C -0.597 176.947 177.584 -0.067 0.000 1.220 100 A CA -0.432 51.535 52.037 -0.117 0.000 0.835 100 A CB 1.159 20.024 19.000 -0.225 0.000 1.180 100 A HN 1.016 nan 8.150 nan 0.000 0.500 101 C N 3.860 123.136 119.300 -0.040 0.000 2.811 101 C HA 0.687 5.229 4.460 0.136 0.000 0.352 101 C C -1.417 173.508 174.990 -0.109 0.000 1.098 101 C CA -0.862 58.116 59.018 -0.066 0.000 1.295 101 C CB 0.981 28.660 27.740 -0.103 0.000 1.758 101 C HN 0.932 nan 8.230 nan 0.000 0.488 102 N N 4.371 123.021 118.700 -0.085 0.000 2.335 102 N HA 0.726 5.548 4.740 0.136 0.000 0.304 102 N C -0.837 174.596 175.510 -0.129 0.000 1.135 102 N CA -0.423 52.562 53.050 -0.109 0.000 0.817 102 N CB 1.558 40.026 38.487 -0.033 0.000 1.294 102 N HN 0.644 nan 8.380 nan 0.000 0.497 103 L N 0.368 121.507 121.223 -0.139 0.000 2.376 103 L HA 0.464 4.886 4.340 0.136 0.000 0.267 103 L C -0.239 176.627 176.870 -0.007 0.000 1.035 103 L CA -1.048 53.648 54.840 -0.241 0.000 0.800 103 L CB 0.245 41.980 42.059 -0.540 0.000 1.290 103 L HN 0.324 nan 8.230 nan 0.000 0.462 104 Y N 1.118 121.486 120.300 0.114 0.000 2.511 104 Y HA 0.080 4.710 4.550 0.133 0.000 0.332 104 Y C -1.680 174.370 175.900 0.250 0.000 1.177 104 Y CA -2.667 55.537 58.100 0.173 0.000 1.422 104 Y CB -0.546 38.036 38.460 0.204 0.000 1.271 104 Y HN 0.235 nan 8.280 nan 0.000 0.550 105 P HA -0.079 nan 4.420 nan 0.000 0.252 105 P C 0.594 178.020 177.300 0.210 0.000 1.635 105 P CA 0.416 63.660 63.100 0.239 0.000 1.206 105 P CB -0.599 31.178 31.700 0.129 0.000 1.911 106 F N 3.430 123.492 119.950 0.187 0.000 2.084 106 F HA -0.198 4.399 4.527 0.117 0.000 0.296 106 F C 2.066 177.819 175.800 -0.079 0.000 1.111 106 F CA 1.488 59.492 58.000 0.007 0.000 1.224 106 F CB -0.493 38.426 39.000 -0.136 0.000 0.991 106 F HN -0.097 nan 8.300 nan 0.000 0.471 107 V N 0.793 120.812 119.914 0.174 0.000 2.392 107 V HA -0.344 3.858 4.120 0.136 0.000 0.249 107 V C 2.443 178.489 176.094 -0.080 0.000 1.059 107 V CA 2.360 64.691 62.300 0.051 0.000 1.051 107 V CB -0.886 31.014 31.823 0.128 0.000 0.658 107 V HN 0.317 nan 8.190 nan 0.000 0.455 108 K N -0.182 120.192 120.400 -0.043 0.000 2.001 108 K HA -0.154 4.247 4.320 0.136 0.000 0.208 108 K C 2.330 178.846 176.600 -0.141 0.000 1.048 108 K CA 1.823 58.074 56.287 -0.061 0.000 0.932 108 K CB -0.392 32.099 32.500 -0.015 0.000 0.715 108 K HN 0.478 nan 8.250 nan 0.000 0.437 109 T N 1.107 115.547 114.554 -0.191 0.000 2.653 109 T HA -0.166 4.266 4.350 0.136 0.000 0.268 109 T C 1.639 176.126 174.700 -0.355 0.000 1.035 109 T CA 1.898 63.842 62.100 -0.261 0.000 1.154 109 T CB -0.314 68.369 68.868 -0.309 0.000 0.862 109 T HN 0.275 nan 8.240 nan 0.000 0.441 110 V N -0.523 119.067 119.914 -0.540 0.000 3.573 110 V HA 0.479 4.680 4.120 0.136 0.000 0.270 110 V C 2.166 178.117 176.094 -0.237 0.000 1.221 110 V CA 0.646 62.644 62.300 -0.505 0.000 1.163 110 V CB -1.222 30.096 31.823 -0.842 0.000 0.847 110 V HN 0.421 nan 8.190 nan 0.000 0.468 111 A N -0.047 122.664 122.820 -0.181 0.000 1.997 111 A HA 0.222 4.624 4.320 0.136 0.000 0.212 111 A C 1.627 179.164 177.584 -0.079 0.000 1.178 111 A CA 0.636 52.614 52.037 -0.097 0.000 0.698 111 A CB -0.380 18.577 19.000 -0.073 0.000 0.842 111 A HN 0.502 nan 8.150 nan 0.000 0.458 112 S N 1.404 117.047 115.700 -0.096 0.000 2.559 112 S HA 0.246 4.798 4.470 0.136 0.000 0.282 112 S C -2.416 172.148 174.600 -0.059 0.000 1.336 112 S CA -0.377 57.779 58.200 -0.074 0.000 1.037 112 S CB -0.110 63.040 63.200 -0.084 0.000 0.853 112 S HN 0.232 nan 8.310 nan 0.000 0.523 113 P HA 0.202 nan 4.420 nan 0.000 0.264 113 P C 0.560 177.840 177.300 -0.032 0.000 1.229 113 P CA 0.742 63.823 63.100 -0.032 0.000 0.780 113 P CB -0.075 31.610 31.700 -0.025 0.000 0.808 114 G N 2.488 111.272 108.800 -0.027 0.000 2.273 114 G HA2 -0.229 3.813 3.960 0.136 0.000 0.280 114 G HA3 -0.229 3.813 3.960 0.136 0.000 0.280 114 G C 0.270 175.153 174.900 -0.028 0.000 1.047 114 G CA -0.086 45.001 45.100 -0.022 0.000 0.869 114 G HN 0.623 nan 8.290 nan 0.000 0.502 115 V N 0.858 120.746 119.914 -0.043 0.000 2.843 115 V HA 0.657 4.859 4.120 0.136 0.000 0.305 115 V C 1.122 177.200 176.094 -0.026 0.000 1.065 115 V CA 1.129 63.391 62.300 -0.064 0.000 1.116 115 V CB 1.276 33.023 31.823 -0.126 0.000 0.968 115 V HN 1.191 nan 8.190 nan 0.000 0.487 116 T N 2.574 117.115 114.554 -0.023 0.000 2.942 116 T HA 0.424 4.856 4.350 0.136 0.000 0.289 116 T C 0.820 175.547 174.700 0.045 0.000 1.044 116 T CA -0.110 62.003 62.100 0.022 0.000 1.023 116 T CB 1.483 70.365 68.868 0.023 0.000 1.123 116 T HN 0.351 nan 8.240 nan 0.000 0.512 117 V N 0.919 120.899 119.914 0.110 0.000 2.392 117 V HA -0.123 4.079 4.120 0.136 0.000 0.249 117 V C 2.747 178.920 176.094 0.131 0.000 1.059 117 V CA 2.191 64.595 62.300 0.173 0.000 1.051 117 V CB -0.954 31.024 31.823 0.258 0.000 0.658 117 V HN 0.961 nan 8.190 nan 0.000 0.455 118 E N 0.029 120.287 120.200 0.096 0.000 2.058 118 E HA -0.224 4.208 4.350 0.136 0.000 0.194 118 E C 2.222 178.845 176.600 0.038 0.000 0.997 118 E CA 1.704 58.148 56.400 0.074 0.000 0.801 118 E CB -0.174 29.557 29.700 0.051 0.000 0.746 118 E HN 0.689 nan 8.360 nan 0.000 0.450 119 E N -0.307 119.891 120.200 -0.004 0.000 2.047 119 E HA -0.155 4.277 4.350 0.136 0.000 0.191 119 E C 2.070 178.611 176.600 -0.097 0.000 0.987 119 E CA 0.917 57.285 56.400 -0.053 0.000 0.799 119 E CB -0.186 29.467 29.700 -0.078 0.000 0.752 119 E HN 0.279 nan 8.360 nan 0.000 0.449 120 A N 1.111 123.829 122.820 -0.170 0.000 1.858 120 A HA -0.147 4.255 4.320 0.136 0.000 0.216 120 A C 2.521 180.096 177.584 -0.014 0.000 1.190 120 A CA 1.189 53.032 52.037 -0.323 0.000 0.617 120 A CB -0.846 17.726 19.000 -0.715 0.000 0.827 120 A HN 0.128 nan 8.150 nan 0.000 0.443 121 V N 0.375 120.349 119.914 0.099 0.000 2.453 121 V HA -0.238 3.964 4.120 0.136 0.000 0.252 121 V C 2.543 178.743 176.094 0.177 0.000 1.068 121 V CA 2.172 64.611 62.300 0.230 0.000 1.070 121 V CB -0.630 31.348 31.823 0.257 0.000 0.664 121 V HN 0.567 nan 8.190 nan 0.000 0.461 122 E N -0.385 119.873 120.200 0.095 0.000 2.204 122 E HA -0.161 4.271 4.350 0.136 0.000 0.194 122 E C 1.871 178.504 176.600 0.054 0.000 0.989 122 E CA 0.754 57.185 56.400 0.052 0.000 0.824 122 E CB 0.055 29.748 29.700 -0.011 0.000 0.756 122 E HN 0.567 nan 8.360 nan 0.000 0.477 123 Q N -0.230 119.643 119.800 0.121 0.000 2.246 123 Q HA 0.200 4.622 4.340 0.136 0.000 0.202 123 Q C 0.313 176.647 176.000 0.556 0.000 0.883 123 Q CA -0.130 55.819 55.803 0.243 0.000 0.952 123 Q CB 0.531 29.352 28.738 0.139 0.000 1.078 123 Q HN 0.279 nan 8.270 nan 0.000 0.493 124 I N 1.911 122.757 120.570 0.459 0.000 2.379 124 I HA 0.019 4.271 4.170 0.136 0.000 0.290 124 I C 0.450 176.826 176.117 0.431 0.000 1.063 124 I CA -0.225 61.289 61.300 0.357 0.000 1.351 124 I CB 0.539 38.656 38.000 0.195 0.000 1.410 124 I HN -0.174 nan 8.210 nan 0.000 0.505 125 D N 6.638 127.308 120.400 0.450 0.000 2.304 125 D HA 0.169 4.891 4.640 0.136 0.000 0.250 125 D C 0.526 176.895 176.300 0.115 0.000 1.107 125 D CA -0.041 54.016 54.000 0.094 0.000 0.885 125 D CB 1.530 42.191 40.800 -0.232 0.000 1.192 125 D HN 0.289 nan 8.370 nan 0.000 0.436 126 I N 2.352 122.950 120.570 0.047 0.000 3.345 126 I HA 0.068 4.319 4.170 0.136 0.000 0.258 126 I C 2.233 178.355 176.117 0.010 0.000 1.134 126 I CA 0.383 61.714 61.300 0.050 0.000 1.457 126 I CB -1.215 36.826 38.000 0.068 0.000 1.425 126 I HN 0.522 nan 8.210 nan 0.000 0.461 127 G N 0.870 109.669 108.800 -0.000 0.000 2.403 127 G HA2 -0.119 3.923 3.960 0.136 0.000 0.216 127 G HA3 -0.119 3.923 3.960 0.136 0.000 0.216 127 G C 1.645 176.528 174.900 -0.027 0.000 1.154 127 G CA 0.848 45.955 45.100 0.012 0.000 0.784 127 G HN 0.456 nan 8.290 nan 0.000 0.538 128 G N 0.596 109.327 108.800 -0.115 0.000 2.440 128 G HA2 -0.173 3.869 3.960 0.136 0.000 0.218 128 G HA3 -0.173 3.869 3.960 0.136 0.000 0.218 128 G C 1.757 176.581 174.900 -0.127 0.000 1.154 128 G CA 1.188 46.196 45.100 -0.153 0.000 0.767 128 G HN 0.302 nan 8.290 nan 0.000 0.552 129 V N 1.018 120.861 119.914 -0.118 0.000 2.407 129 V HA -0.169 4.033 4.120 0.136 0.000 0.248 129 V C 3.135 179.205 176.094 -0.040 0.000 1.055 129 V CA 2.306 64.558 62.300 -0.080 0.000 1.049 129 V CB -0.735 31.079 31.823 -0.015 0.000 0.662 129 V HN 0.405 nan 8.190 nan 0.000 0.455 130 T N 0.101 114.647 114.554 -0.014 0.000 2.904 130 T HA -0.027 4.405 4.350 0.136 0.000 0.267 130 T C 1.860 176.602 174.700 0.070 0.000 1.059 130 T CA 1.130 63.230 62.100 -0.000 0.000 1.137 130 T CB -0.172 68.677 68.868 -0.033 0.000 0.879 130 T HN 0.294 nan 8.240 nan 0.000 0.467 131 L N 0.355 121.626 121.223 0.080 0.000 2.027 131 L HA -0.009 4.413 4.340 0.136 0.000 0.206 131 L C 2.462 179.307 176.870 -0.041 0.000 1.074 131 L CA 1.079 55.950 54.840 0.050 0.000 0.745 131 L CB -0.582 41.459 42.059 -0.029 0.000 0.898 131 L HN 0.238 nan 8.230 nan 0.000 0.433 132 L N -0.610 120.557 121.223 -0.094 0.000 1.976 132 L HA -0.231 4.191 4.340 0.136 0.000 0.209 132 L C 2.881 179.601 176.870 -0.250 0.000 1.071 132 L CA 1.491 56.231 54.840 -0.165 0.000 0.746 132 L CB -0.593 41.365 42.059 -0.169 0.000 0.890 132 L HN 0.208 nan 8.230 nan 0.000 0.432 133 R N -0.104 120.262 120.500 -0.223 0.000 2.091 133 R HA -0.165 4.257 4.340 0.136 0.000 0.238 133 R C 2.392 178.610 176.300 -0.137 0.000 1.136 133 R CA 1.426 57.361 56.100 -0.276 0.000 0.959 133 R CB -0.548 29.741 30.300 -0.017 0.000 0.856 133 R HN 0.395 nan 8.270 nan 0.000 0.437 134 A N 1.258 124.056 122.820 -0.037 0.000 1.898 134 A HA -0.073 4.329 4.320 0.136 0.000 0.216 134 A C 2.395 179.982 177.584 0.005 0.000 1.181 134 A CA 1.563 53.615 52.037 0.026 0.000 0.620 134 A CB -0.646 18.421 19.000 0.112 0.000 0.819 134 A HN 0.392 nan 8.150 nan 0.000 0.442 135 A N 0.012 122.811 122.820 -0.035 0.000 1.877 135 A HA 0.126 4.527 4.320 0.136 0.000 0.216 135 A C 2.545 180.105 177.584 -0.040 0.000 1.186 135 A CA 2.315 54.327 52.037 -0.042 0.000 0.620 135 A CB -1.176 17.782 19.000 -0.070 0.000 0.822 135 A HN 1.099 nan 8.150 nan 0.000 0.443 136 A N -0.088 122.638 122.820 -0.157 0.000 1.883 136 A HA -0.231 4.171 4.320 0.136 0.000 0.217 136 A C 2.143 179.821 177.584 0.156 0.000 1.186 136 A CA 2.210 54.140 52.037 -0.179 0.000 0.624 136 A CB -0.551 17.929 19.000 -0.867 0.000 0.822 136 A HN 0.586 nan 8.150 nan 0.000 0.444 137 K N -0.376 120.120 120.400 0.161 0.000 2.211 137 K HA -0.133 4.269 4.320 0.136 0.000 0.204 137 K C 1.190 177.900 176.600 0.182 0.000 1.047 137 K CA 1.633 58.111 56.287 0.318 0.000 0.935 137 K CB -0.238 32.413 32.500 0.251 0.000 0.728 137 K HN 0.604 nan 8.250 nan 0.000 0.452 138 N N 0.448 119.198 118.700 0.084 0.000 2.321 138 N HA -0.018 4.804 4.740 0.136 0.000 0.242 138 N C 0.904 176.348 175.510 -0.110 0.000 1.141 138 N CA -0.247 52.785 53.050 -0.030 0.000 0.864 138 N CB 0.230 38.710 38.487 -0.011 0.000 1.100 138 N HN 0.357 nan 8.380 nan 0.000 0.510 139 H N -0.909 118.181 119.070 0.034 0.000 2.518 139 H HA -0.094 4.544 4.556 0.136 0.000 0.294 139 H C 1.486 176.830 175.328 0.026 0.000 1.083 139 H CA 1.215 57.278 56.048 0.025 0.000 1.264 139 H CB -0.170 29.614 29.762 0.037 0.000 1.370 139 H HN 0.235 nan 8.280 nan 0.000 0.560 140 A N 1.246 123.708 122.820 -0.597 0.000 2.019 140 A HA -0.146 4.256 4.320 0.136 0.000 0.219 140 A C 2.573 180.088 177.584 -0.115 0.000 1.164 140 A CA 1.700 53.555 52.037 -0.302 0.000 0.644 140 A CB -0.480 18.362 19.000 -0.263 0.000 0.805 140 A HN 0.521 nan 8.150 nan 0.000 0.449 141 R N -2.039 118.405 120.500 -0.093 0.000 2.350 141 R HA 0.243 4.665 4.340 0.136 0.000 0.199 141 R C -0.435 175.855 176.300 -0.016 0.000 0.876 141 R CA 0.316 56.393 56.100 -0.039 0.000 1.062 141 R CB 0.541 30.821 30.300 -0.033 0.000 1.263 141 R HN 0.192 nan 8.270 nan 0.000 0.641 142 V N 1.774 121.679 119.914 -0.015 0.000 2.686 142 V HA 0.278 4.479 4.120 0.136 0.000 0.295 142 V C -0.230 175.878 176.094 0.023 0.000 1.057 142 V CA -0.216 62.083 62.300 -0.002 0.000 1.012 142 V CB 1.681 33.498 31.823 -0.010 0.000 1.006 142 V HN 0.183 nan 8.190 nan 0.000 0.477 143 T N 3.859 118.420 114.554 0.012 0.000 2.801 143 T HA 0.386 4.818 4.350 0.136 0.000 0.306 143 T C -0.515 174.187 174.700 0.004 0.000 1.020 143 T CA -0.122 61.993 62.100 0.025 0.000 0.948 143 T CB 1.116 70.005 68.868 0.036 0.000 0.962 143 T HN 0.480 nan 8.240 nan 0.000 0.465 144 V N 5.506 125.418 119.914 -0.003 0.000 2.417 144 V HA 0.646 4.848 4.120 0.136 0.000 0.291 144 V C -0.794 175.283 176.094 -0.029 0.000 1.024 144 V CA -0.474 61.804 62.300 -0.036 0.000 0.861 144 V CB 1.271 33.048 31.823 -0.076 0.000 0.985 144 V HN 0.651 nan 8.190 nan 0.000 0.436 145 V N 7.277 127.185 119.914 -0.009 0.000 2.349 145 V HA 0.210 4.412 4.120 0.136 0.000 0.284 145 V C 0.835 176.909 176.094 -0.034 0.000 1.014 145 V CA -0.218 62.088 62.300 0.009 0.000 0.826 145 V CB 0.895 32.802 31.823 0.141 0.000 1.009 145 V HN 1.105 nan 8.190 nan 0.000 0.431 146 C N 1.196 120.415 119.300 -0.135 0.000 2.697 146 C HA 0.423 4.965 4.460 0.136 0.000 0.267 146 C C 0.510 175.327 174.990 -0.289 0.000 1.278 146 C CA -0.427 58.450 59.018 -0.236 0.000 1.708 146 C CB -1.238 26.282 27.740 -0.367 0.000 1.860 146 C HN 0.802 nan 8.230 nan 0.000 0.589 147 E N 1.231 121.272 120.200 -0.264 0.000 2.234 147 E HA 0.286 4.718 4.350 0.136 0.000 0.266 147 E C -2.155 174.115 176.600 -0.549 0.000 0.877 147 E CA -1.819 54.390 56.400 -0.319 0.000 0.758 147 E CB 2.133 31.690 29.700 -0.238 0.000 1.170 147 E HN -0.090 nan 8.360 nan 0.000 0.415 148 P HA -0.212 nan 4.420 nan 0.000 0.215 148 P C 1.258 178.066 177.300 -0.820 0.000 1.153 148 P CA 1.644 64.052 63.100 -1.152 0.000 0.853 148 P CB 0.228 31.600 31.700 -0.547 0.000 0.788 149 E N -0.028 119.919 120.200 -0.422 0.000 2.455 149 E HA -0.205 4.227 4.350 0.136 0.000 0.202 149 E C 1.245 177.706 176.600 -0.231 0.000 1.045 149 E CA 1.357 57.603 56.400 -0.256 0.000 0.872 149 E CB -1.385 28.217 29.700 -0.164 0.000 0.792 149 E HN 0.348 nan 8.360 nan 0.000 0.542 150 D N -1.579 118.639 120.400 -0.303 0.000 2.369 150 D HA 0.074 4.796 4.640 0.136 0.000 0.211 150 D C 0.857 177.047 176.300 -0.184 0.000 1.077 150 D CA -0.225 53.658 54.000 -0.195 0.000 0.842 150 D CB 0.041 40.747 40.800 -0.155 0.000 0.947 150 D HN 0.448 nan 8.370 nan 0.000 0.509 151 Y N 1.462 121.510 120.300 -0.421 0.000 2.070 151 Y HA -0.217 4.415 4.550 0.136 0.000 0.280 151 Y C 2.674 178.245 175.900 -0.547 0.000 1.148 151 Y CA 0.616 58.228 58.100 -0.814 0.000 1.125 151 Y CB -1.344 36.682 38.460 -0.723 0.000 0.975 151 Y HN -0.055 nan 8.280 nan 0.000 0.492 152 V N -1.368 118.491 119.914 -0.091 0.000 2.287 152 V HA -0.235 3.967 4.120 0.136 0.000 0.248 152 V C 2.157 178.228 176.094 -0.038 0.000 1.053 152 V CA 2.106 64.383 62.300 -0.038 0.000 1.027 152 V CB -1.464 30.355 31.823 -0.008 0.000 0.646 152 V HN 0.186 nan 8.190 nan 0.000 0.447 153 V N 0.485 120.367 119.914 -0.053 0.000 2.278 153 V HA -0.267 3.935 4.120 0.136 0.000 0.251 153 V C 2.691 178.773 176.094 -0.020 0.000 1.062 153 V CA 2.462 64.741 62.300 -0.034 0.000 1.038 153 V CB -0.935 30.862 31.823 -0.044 0.000 0.646 153 V HN 0.512 nan 8.190 nan 0.000 0.447 154 V N 0.946 120.834 119.914 -0.045 0.000 2.307 154 V HA -0.200 4.002 4.120 0.136 0.000 0.245 154 V C 2.658 178.800 176.094 0.079 0.000 1.045 154 V CA 2.128 64.434 62.300 0.009 0.000 1.024 154 V CB -0.912 30.913 31.823 0.003 0.000 0.651 154 V HN 0.752 nan 8.190 nan 0.000 0.449 155 S N -0.602 115.157 115.700 0.098 0.000 2.399 155 S HA -0.215 4.337 4.470 0.136 0.000 0.231 155 S C 1.906 176.568 174.600 0.103 0.000 1.022 155 S CA 1.862 60.177 58.200 0.192 0.000 0.983 155 S CB -0.768 62.593 63.200 0.269 0.000 0.803 155 S HN 0.552 nan 8.310 nan 0.000 0.480 156 T N 1.919 116.509 114.554 0.061 0.000 2.857 156 T HA -0.026 4.405 4.350 0.136 0.000 0.266 156 T C 1.766 176.490 174.700 0.040 0.000 1.048 156 T CA 1.454 63.581 62.100 0.043 0.000 1.139 156 T CB -0.298 68.586 68.868 0.026 0.000 0.874 156 T HN 0.699 nan 8.240 nan 0.000 0.455 157 E N 0.647 120.871 120.200 0.039 0.000 2.047 157 E HA -0.101 4.331 4.350 0.136 0.000 0.191 157 E C 2.210 178.835 176.600 0.042 0.000 0.987 157 E CA 0.943 57.365 56.400 0.036 0.000 0.799 157 E CB -0.137 29.583 29.700 0.033 0.000 0.752 157 E HN 0.451 nan 8.360 nan 0.000 0.449 158 M N 0.355 119.990 119.600 0.058 0.000 2.080 158 M HA -0.236 4.326 4.480 0.136 0.000 0.260 158 M C 2.441 178.769 176.300 0.046 0.000 1.068 158 M CA 1.810 57.145 55.300 0.057 0.000 1.109 158 M CB -0.365 32.283 32.600 0.080 0.000 1.342 158 M HN 0.147 nan 8.290 nan 0.000 0.405 159 Q N -0.267 119.563 119.800 0.051 0.000 2.084 159 Q HA -0.070 4.352 4.340 0.136 0.000 0.202 159 Q C 0.646 176.664 176.000 0.030 0.000 0.978 159 Q CA 1.110 56.937 55.803 0.040 0.000 0.844 159 Q CB -0.142 28.622 28.738 0.044 0.000 0.898 159 Q HN 0.370 nan 8.270 nan 0.000 0.426 160 S N 1.423 117.141 115.700 0.030 0.000 4.120 160 S HA 0.225 4.777 4.470 0.136 0.000 0.196 160 S C -0.552 174.062 174.600 0.022 0.000 1.447 160 S CA -0.382 57.833 58.200 0.024 0.000 0.939 160 S CB -0.193 63.021 63.200 0.022 0.000 1.496 160 S HN 0.322 nan 8.310 nan 0.000 0.460 161 S N -0.825 114.888 115.700 0.021 0.000 2.586 161 S HA 0.628 5.180 4.470 0.136 0.000 0.277 161 S C 0.413 175.023 174.600 0.017 0.000 1.131 161 S CA -0.345 57.867 58.200 0.019 0.000 0.848 161 S CB 0.776 63.989 63.200 0.022 0.000 1.091 161 S HN 0.290 nan 8.310 nan 0.000 0.453 162 E N 1.788 121.997 120.200 0.015 0.000 2.047 162 E HA -0.062 4.370 4.350 0.136 0.000 0.191 162 E C 2.045 178.653 176.600 0.012 0.000 0.987 162 E CA 1.880 58.288 56.400 0.012 0.000 0.799 162 E CB -1.306 28.401 29.700 0.011 0.000 0.752 162 E HN 1.411 nan 8.360 nan 0.000 0.449 163 S N -0.935 114.773 115.700 0.013 0.000 2.500 163 S HA 0.172 4.724 4.470 0.136 0.000 0.239 163 S C 1.844 176.452 174.600 0.013 0.000 0.989 163 S CA 2.020 60.228 58.200 0.013 0.000 0.951 163 S CB -0.529 62.679 63.200 0.013 0.000 0.759 163 S HN 1.645 nan 8.310 nan 0.000 0.523 164 K N -0.569 119.841 120.400 0.016 0.000 3.192 164 K HA -0.206 4.196 4.320 0.136 0.000 0.278 164 K C -0.346 176.266 176.600 0.021 0.000 1.164 164 K CA 1.585 57.883 56.287 0.018 0.000 0.816 164 K CB -2.820 29.688 32.500 0.013 0.000 1.256 164 K HN 0.830 nan 8.250 nan 0.000 0.497 165 D N -1.739 118.675 120.400 0.023 0.000 2.636 165 D HA 0.711 5.433 4.640 0.136 0.000 0.275 165 D C 0.684 177.004 176.300 0.033 0.000 1.130 165 D CA 0.736 54.752 54.000 0.026 0.000 1.031 165 D CB 1.620 42.431 40.800 0.019 0.000 1.451 165 D HN 0.507 nan 8.370 nan 0.000 0.505 166 T N -1.468 113.108 114.554 0.036 0.000 2.852 166 T HA 0.608 5.040 4.350 0.136 0.000 0.281 166 T C 0.313 175.034 174.700 0.035 0.000 0.993 166 T CA -0.683 61.441 62.100 0.039 0.000 0.933 166 T CB 0.707 69.603 68.868 0.047 0.000 1.187 166 T HN 0.408 nan 8.240 nan 0.000 0.559 167 S N -0.230 115.492 115.700 0.036 0.000 2.651 167 S HA 0.416 4.968 4.470 0.136 0.000 0.291 167 S C 0.922 175.550 174.600 0.047 0.000 1.141 167 S CA -0.958 57.264 58.200 0.036 0.000 1.027 167 S CB 1.153 64.372 63.200 0.031 0.000 1.043 167 S HN 0.611 nan 8.310 nan 0.000 0.530 168 L N 0.791 122.044 121.223 0.050 0.000 2.127 168 L HA 0.005 4.426 4.340 0.136 0.000 0.211 168 L C 2.374 179.294 176.870 0.082 0.000 1.089 168 L CA 2.078 56.962 54.840 0.073 0.000 0.757 168 L CB -1.057 41.041 42.059 0.064 0.000 0.899 168 L HN 0.961 nan 8.230 nan 0.000 0.434 169 E N -0.910 119.322 120.200 0.055 0.000 2.047 169 E HA -0.152 4.279 4.350 0.136 0.000 0.191 169 E C 2.075 178.696 176.600 0.036 0.000 0.987 169 E CA 1.902 58.328 56.400 0.043 0.000 0.799 169 E CB -0.480 29.238 29.700 0.030 0.000 0.752 169 E HN 0.484 nan 8.360 nan 0.000 0.449 170 T N 0.897 115.471 114.554 0.035 0.000 2.684 170 T HA -0.143 4.289 4.350 0.136 0.000 0.267 170 T C 1.832 176.552 174.700 0.033 0.000 1.036 170 T CA 1.524 63.641 62.100 0.027 0.000 1.148 170 T CB -0.224 68.661 68.868 0.028 0.000 0.863 170 T HN 0.186 nan 8.240 nan 0.000 0.436 171 R N 0.719 121.256 120.500 0.061 0.000 2.127 171 R HA -0.032 4.390 4.340 0.136 0.000 0.238 171 R C 2.679 179.019 176.300 0.067 0.000 1.134 171 R CA 0.978 57.134 56.100 0.093 0.000 0.975 171 R CB -0.190 30.197 30.300 0.145 0.000 0.865 171 R HN 0.411 nan 8.270 nan 0.000 0.447 172 R N 0.498 121.016 120.500 0.030 0.000 2.062 172 R HA -0.121 4.301 4.340 0.136 0.000 0.229 172 R C 2.304 178.549 176.300 -0.092 0.000 1.128 172 R CA 0.971 56.997 56.100 -0.122 0.000 0.960 172 R CB -0.491 29.776 30.300 -0.055 0.000 0.855 172 R HN 0.355 nan 8.270 nan 0.000 0.432 173 Q N 1.330 121.111 119.800 -0.032 0.000 2.135 173 Q HA -0.143 4.278 4.340 0.136 0.000 0.204 173 Q C 2.108 178.095 176.000 -0.021 0.000 0.981 173 Q CA 1.356 57.147 55.803 -0.021 0.000 0.856 173 Q CB -0.010 28.723 28.738 -0.008 0.000 0.902 173 Q HN 0.358 nan 8.270 nan 0.000 0.425 174 L N 0.106 121.317 121.223 -0.021 0.000 2.072 174 L HA -0.094 4.328 4.340 0.136 0.000 0.205 174 L C 2.648 179.494 176.870 -0.039 0.000 1.079 174 L CA 0.919 55.744 54.840 -0.026 0.000 0.752 174 L CB -0.564 41.489 42.059 -0.011 0.000 0.906 174 L HN 0.228 nan 8.230 nan 0.000 0.436 175 A N 0.171 122.962 122.820 -0.048 0.000 1.902 175 A HA -0.223 4.178 4.320 0.136 0.000 0.217 175 A C 2.191 179.792 177.584 0.029 0.000 1.181 175 A CA 1.745 53.747 52.037 -0.059 0.000 0.623 175 A CB -0.688 18.217 19.000 -0.158 0.000 0.818 175 A HN 0.347 nan 8.150 nan 0.000 0.443 176 L N -0.101 121.137 121.223 0.024 0.000 2.093 176 L HA -0.076 4.346 4.340 0.136 0.000 0.208 176 L C 2.121 179.047 176.870 0.094 0.000 1.085 176 L CA 2.625 57.520 54.840 0.090 0.000 0.755 176 L CB -0.608 41.467 42.059 0.025 0.000 0.904 176 L HN 0.426 nan 8.230 nan 0.000 0.435 177 K N -0.534 119.888 120.400 0.037 0.000 2.057 177 K HA -0.100 4.301 4.320 0.136 0.000 0.206 177 K C 2.026 178.651 176.600 0.042 0.000 1.050 177 K CA 1.160 57.467 56.287 0.033 0.000 0.935 177 K CB -0.210 32.285 32.500 -0.009 0.000 0.715 177 K HN 0.465 nan 8.250 nan 0.000 0.439 178 A N 0.601 123.405 122.820 -0.026 0.000 1.877 178 A HA -0.144 4.258 4.320 0.136 0.000 0.216 178 A C 1.897 179.457 177.584 -0.040 0.000 1.186 178 A CA 1.352 53.331 52.037 -0.098 0.000 0.620 178 A CB -0.781 18.072 19.000 -0.244 0.000 0.822 178 A HN 0.342 nan 8.150 nan 0.000 0.443 179 F N 0.545 120.511 119.950 0.028 0.000 2.234 179 F HA -0.070 4.537 4.527 0.134 0.000 0.299 179 F C 2.688 178.510 175.800 0.037 0.000 1.087 179 F CA 1.689 59.706 58.000 0.028 0.000 1.340 179 F CB -0.832 38.173 39.000 0.009 0.000 1.031 179 F HN 0.139 nan 8.300 nan 0.000 0.500 180 T N -1.953 112.740 114.554 0.232 0.000 2.904 180 T HA -0.195 4.237 4.350 0.136 0.000 0.267 180 T C 2.026 176.802 174.700 0.127 0.000 1.059 180 T CA 1.281 63.469 62.100 0.146 0.000 1.137 180 T CB -0.404 68.531 68.868 0.112 0.000 0.879 180 T HN 0.365 nan 8.240 nan 0.000 0.467 181 H N 1.208 120.310 119.070 0.053 0.000 2.357 181 H HA -0.078 4.562 4.556 0.140 0.000 0.301 181 H C 2.503 177.860 175.328 0.049 0.000 1.082 181 H CA 1.962 58.027 56.048 0.028 0.000 1.342 181 H CB -0.020 29.726 29.762 -0.028 0.000 1.389 181 H HN 0.490 nan 8.280 nan 0.000 0.511 182 T N -1.789 112.827 114.554 0.103 0.000 2.904 182 T HA 0.086 4.518 4.350 0.136 0.000 0.267 182 T C 2.215 176.978 174.700 0.105 0.000 1.059 182 T CA 0.873 63.028 62.100 0.092 0.000 1.137 182 T CB -0.438 68.494 68.868 0.106 0.000 0.879 182 T HN 0.328 nan 8.240 nan 0.000 0.467 183 A N 1.335 124.215 122.820 0.100 0.000 1.930 183 A HA -0.049 4.353 4.320 0.136 0.000 0.217 183 A C 2.564 180.166 177.584 0.031 0.000 1.175 183 A CA 1.076 53.154 52.037 0.069 0.000 0.627 183 A CB -0.565 18.474 19.000 0.066 0.000 0.815 183 A HN 0.435 nan 8.150 nan 0.000 0.443 184 Q N -1.651 118.152 119.800 0.005 0.000 2.079 184 Q HA -0.152 4.270 4.340 0.136 0.000 0.200 184 Q C 1.930 177.921 176.000 -0.013 0.000 0.974 184 Q CA 1.487 57.277 55.803 -0.021 0.000 0.840 184 Q CB -0.557 28.142 28.738 -0.064 0.000 0.898 184 Q HN 0.792 nan 8.270 nan 0.000 0.430 185 Y N 2.077 122.261 120.300 -0.194 0.000 2.097 185 Y HA -0.240 4.400 4.550 0.151 0.000 0.282 185 Y C 1.602 177.394 175.900 -0.181 0.000 1.152 185 Y CA 1.979 59.964 58.100 -0.191 0.000 1.136 185 Y CB -0.226 38.123 38.460 -0.184 0.000 0.975 185 Y HN 0.120 nan 8.280 nan 0.000 0.498 186 D N -0.733 119.638 120.400 -0.049 0.000 2.312 186 D HA -0.021 4.700 4.640 0.136 0.000 0.211 186 D C 2.234 178.473 176.300 -0.102 0.000 0.964 186 D CA 1.205 55.130 54.000 -0.124 0.000 0.877 186 D CB -0.033 40.758 40.800 -0.016 0.000 0.924 186 D HN 0.618 nan 8.370 nan 0.000 0.515 187 E N 0.385 120.549 120.200 -0.061 0.000 2.158 187 E HA 0.110 4.542 4.350 0.136 0.000 0.191 187 E C 2.014 178.582 176.600 -0.054 0.000 0.982 187 E CA 1.074 57.454 56.400 -0.033 0.000 0.823 187 E CB -0.700 28.996 29.700 -0.007 0.000 0.766 187 E HN 0.306 nan 8.360 nan 0.000 0.468 188 A N 0.639 123.406 122.820 -0.089 0.000 1.872 188 A HA 0.068 4.470 4.320 0.136 0.000 0.214 188 A C 2.466 180.009 177.584 -0.069 0.000 1.187 188 A CA 1.359 53.370 52.037 -0.043 0.000 0.614 188 A CB -0.344 18.652 19.000 -0.007 0.000 0.826 188 A HN 0.472 nan 8.150 nan 0.000 0.442 189 I N 0.890 121.228 120.570 -0.387 0.000 2.163 189 I HA -0.279 3.973 4.170 0.136 0.000 0.243 189 I C 2.727 178.886 176.117 0.070 0.000 1.085 189 I CA 1.816 62.856 61.300 -0.433 0.000 1.347 189 I CB -0.283 37.357 38.000 -0.600 0.000 1.044 189 I HN 0.461 nan 8.210 nan 0.000 0.408 190 S N -0.323 115.412 115.700 0.059 0.000 2.428 190 S HA -0.176 4.375 4.470 0.136 0.000 0.230 190 S C 1.552 176.189 174.600 0.062 0.000 1.014 190 S CA 1.074 59.357 58.200 0.139 0.000 0.957 190 S CB -0.356 62.886 63.200 0.071 0.000 0.784 190 S HN 0.449 nan 8.310 nan 0.000 0.499 191 D N 1.242 121.636 120.400 -0.010 0.000 2.097 191 D HA -0.206 4.516 4.640 0.136 0.000 0.195 191 D C 1.753 178.015 176.300 -0.064 0.000 0.989 191 D CA 1.298 55.237 54.000 -0.103 0.000 0.827 191 D CB -0.523 40.213 40.800 -0.106 0.000 0.966 191 D HN 0.474 nan 8.370 nan 0.000 0.456 192 Y N -0.327 119.898 120.300 -0.126 0.000 2.145 192 Y HA -0.174 4.488 4.550 0.186 0.000 0.286 192 Y C 1.871 177.571 175.900 -0.333 0.000 1.145 192 Y CA 1.683 59.648 58.100 -0.225 0.000 1.148 192 Y CB -0.526 37.808 38.460 -0.210 0.000 0.981 192 Y HN -0.057 nan 8.280 nan 0.000 0.507 193 F N 0.105 120.007 119.950 -0.081 0.000 2.365 193 F HA -0.051 4.470 4.527 -0.010 0.000 0.300 193 F C 2.582 178.233 175.800 -0.249 0.000 1.090 193 F CA 1.465 59.310 58.000 -0.259 0.000 1.408 193 F CB -0.480 38.517 39.000 -0.004 0.000 1.060 193 F HN -0.027 nan 8.300 nan 0.000 0.534 194 R N 0.417 120.902 120.500 -0.026 0.000 2.153 194 R HA -0.062 4.360 4.340 0.136 0.000 0.218 194 R C 1.946 178.173 176.300 -0.122 0.000 1.072 194 R CA 1.000 57.077 56.100 -0.037 0.000 0.990 194 R CB 0.037 30.303 30.300 -0.058 0.000 0.889 194 R HN 0.160 nan 8.270 nan 0.000 0.452 195 K N -0.585 119.669 120.400 -0.244 0.000 2.137 195 K HA -0.037 4.365 4.320 0.136 0.000 0.202 195 K C 2.110 178.529 176.600 -0.301 0.000 1.052 195 K CA 0.698 56.832 56.287 -0.255 0.000 0.961 195 K CB 0.162 32.495 32.500 -0.279 0.000 0.741 195 K HN 0.080 nan 8.250 nan 0.000 0.452 196 Q N -0.108 119.378 119.800 -0.524 0.000 2.020 196 Q HA -0.085 4.337 4.340 0.136 0.000 0.198 196 Q C 1.618 177.514 176.000 -0.173 0.000 0.974 196 Q CA 1.635 57.124 55.803 -0.524 0.000 0.829 196 Q CB -0.151 27.959 28.738 -1.048 0.000 0.894 196 Q HN 0.413 nan 8.270 nan 0.000 0.433 197 Y N -1.119 119.152 120.300 -0.048 0.000 2.458 197 Y HA 0.316 4.913 4.550 0.077 0.000 0.256 197 Y C 1.462 177.358 175.900 -0.006 0.000 1.159 197 Y CA -0.388 57.712 58.100 0.000 0.000 1.261 197 Y CB 0.404 38.897 38.460 0.055 0.000 1.119 197 Y HN -0.070 nan 8.280 nan 0.000 0.524 198 S N -0.345 115.415 115.700 0.102 0.000 2.819 198 S HA 0.130 4.682 4.470 0.136 0.000 0.249 198 S C 0.338 174.950 174.600 0.020 0.000 1.030 198 S CA -0.558 57.680 58.200 0.062 0.000 1.052 198 S CB -0.097 63.140 63.200 0.061 0.000 1.017 198 S HN 0.251 nan 8.310 nan 0.000 0.576 199 K N 0.997 121.399 120.400 0.002 0.000 2.511 199 K HA 0.246 4.648 4.320 0.136 0.000 0.280 199 K C 1.144 177.739 176.600 -0.009 0.000 1.008 199 K CA 1.390 57.669 56.287 -0.014 0.000 1.050 199 K CB -0.194 32.291 32.500 -0.025 0.000 0.889 199 K HN 0.297 nan 8.250 nan 0.000 0.484 200 G N 2.079 110.869 108.800 -0.016 0.000 2.168 200 G HA2 -0.255 3.787 3.960 0.136 0.000 0.263 200 G HA3 -0.255 3.787 3.960 0.136 0.000 0.263 200 G C 0.392 175.280 174.900 -0.021 0.000 0.977 200 G CA 0.372 45.459 45.100 -0.022 0.000 0.659 200 G HN 0.468 nan 8.290 nan 0.000 0.533 201 V N -0.076 119.831 119.914 -0.010 0.000 3.001 201 V HA 0.269 4.471 4.120 0.136 0.000 0.228 201 V C 2.196 178.284 176.094 -0.010 0.000 1.204 201 V CA 2.194 64.488 62.300 -0.010 0.000 1.247 201 V CB 0.553 32.379 31.823 0.004 0.000 1.093 201 V HN 0.966 nan 8.190 nan 0.000 0.504 202 S N -1.576 114.130 115.700 0.010 0.000 2.666 202 S HA 0.250 4.802 4.470 0.136 0.000 0.239 202 S C 0.453 175.088 174.600 0.058 0.000 1.031 202 S CA -0.156 58.059 58.200 0.025 0.000 1.015 202 S CB 0.606 63.833 63.200 0.044 0.000 0.981 202 S HN 0.384 nan 8.310 nan 0.000 0.547 203 Q N 1.289 121.112 119.800 0.039 0.000 2.347 203 Q HA 0.592 5.014 4.340 0.136 0.000 0.271 203 Q C -1.832 174.177 176.000 0.016 0.000 1.064 203 Q CA -0.424 55.410 55.803 0.052 0.000 0.800 203 Q CB 2.141 30.883 28.738 0.006 0.000 1.304 203 Q HN 0.582 nan 8.270 nan 0.000 0.438 204 M N 5.153 124.767 119.600 0.022 0.000 2.183 204 M HA 0.490 5.051 4.480 0.136 0.000 0.277 204 M C -2.752 173.548 176.300 -0.001 0.000 0.995 204 M CA -1.533 53.763 55.300 -0.008 0.000 0.969 204 M CB 2.512 35.093 32.600 -0.031 0.000 1.659 204 M HN 0.210 nan 8.290 nan 0.000 0.462 205 P HA 0.360 nan 4.420 nan 0.000 0.275 205 P C -1.387 175.905 177.300 -0.013 0.000 1.228 205 P CA -0.191 62.908 63.100 -0.003 0.000 0.786 205 P CB 0.665 32.358 31.700 -0.012 0.000 0.927 206 L N 2.733 123.958 121.223 0.003 0.000 2.334 206 L HA 0.465 4.887 4.340 0.136 0.000 0.273 206 L C 1.785 178.626 176.870 -0.049 0.000 1.013 206 L CA -0.864 53.962 54.840 -0.025 0.000 0.816 206 L CB 1.463 43.534 42.059 0.021 0.000 1.278 206 L HN 0.322 nan 8.230 nan 0.000 0.431 207 R N 1.292 121.702 120.500 -0.151 0.000 2.119 207 R HA -0.158 4.264 4.340 0.136 0.000 0.246 207 R C -0.552 175.680 176.300 -0.114 0.000 1.146 207 R CA 2.026 57.997 56.100 -0.215 0.000 0.962 207 R CB -0.373 29.654 30.300 -0.456 0.000 0.863 207 R HN 0.655 nan 8.270 nan 0.000 0.442 208 Y N -4.891 115.438 120.300 0.048 0.000 2.852 208 Y HA 0.517 5.149 4.550 0.137 0.000 0.350 208 Y C 0.131 176.070 175.900 0.066 0.000 1.272 208 Y CA -1.102 57.019 58.100 0.036 0.000 1.086 208 Y CB 0.063 38.529 38.460 0.010 0.000 1.408 208 Y HN -0.071 nan 8.280 nan 0.000 0.447 209 G N 0.318 109.286 108.800 0.281 0.000 2.928 209 G HA2 0.264 4.305 3.960 0.136 0.000 0.163 209 G HA3 0.264 4.305 3.960 0.136 0.000 0.163 209 G C 0.576 175.473 174.900 -0.004 0.000 1.573 209 G CA 0.070 45.206 45.100 0.060 0.000 1.084 209 G HN 0.752 nan 8.290 nan 0.000 0.569 210 M N 0.055 119.393 119.600 -0.437 0.000 2.106 210 M HA 0.009 4.571 4.480 0.136 0.000 0.259 210 M C 0.320 176.583 176.300 -0.061 0.000 1.068 210 M CA 1.210 56.360 55.300 -0.249 0.000 1.100 210 M CB -0.389 32.006 32.600 -0.342 0.000 1.351 210 M HN 0.358 nan 8.290 nan 0.000 0.404 211 N N -2.123 116.461 118.700 -0.193 0.000 2.284 211 N HA 0.268 5.089 4.740 0.136 0.000 0.289 211 N C -2.397 172.825 175.510 -0.481 0.000 1.179 211 N CA -1.265 51.628 53.050 -0.260 0.000 0.774 211 N CB 1.301 39.663 38.487 -0.208 0.000 1.548 211 N HN -0.246 nan 8.380 nan 0.000 0.473 212 P HA -0.198 nan 4.420 nan 0.000 0.218 212 P C 0.956 178.098 177.300 -0.263 0.000 1.152 212 P CA 1.620 64.236 63.100 -0.806 0.000 0.857 212 P CB -0.078 31.266 31.700 -0.593 0.000 0.787 213 H N -1.839 117.118 119.070 -0.189 0.000 2.556 213 H HA 0.138 4.777 4.556 0.138 0.000 0.268 213 H C 0.183 175.474 175.328 -0.061 0.000 0.996 213 H CA 0.317 56.309 56.048 -0.094 0.000 1.157 213 H CB -0.637 29.080 29.762 -0.075 0.000 1.355 213 H HN 0.243 nan 8.280 nan 0.000 0.597 214 Q N 1.463 121.012 119.800 -0.418 0.000 2.509 214 Q HA 0.347 4.769 4.340 0.136 0.000 0.236 214 Q C -0.776 175.163 176.000 -0.103 0.000 1.073 214 Q CA -0.233 55.399 55.803 -0.285 0.000 0.867 214 Q CB 1.598 30.099 28.738 -0.395 0.000 1.181 214 Q HN 0.213 nan 8.270 nan 0.000 0.526 215 T N 1.348 115.883 114.554 -0.032 0.000 2.853 215 T HA 0.539 4.971 4.350 0.136 0.000 0.311 215 T C -2.477 172.239 174.700 0.026 0.000 1.307 215 T CA -1.152 60.964 62.100 0.027 0.000 1.019 215 T CB 1.262 70.170 68.868 0.066 0.000 1.264 215 T HN 0.396 nan 8.240 nan 0.000 0.497 216 P HA 0.718 nan 4.420 nan 0.000 0.277 216 P C -1.475 175.868 177.300 0.072 0.000 1.240 216 P CA -0.600 62.531 63.100 0.052 0.000 0.798 216 P CB 1.100 32.821 31.700 0.035 0.000 0.979 217 A N 1.882 124.764 122.820 0.102 0.000 2.356 217 A HA 0.678 5.080 4.320 0.136 0.000 0.323 217 A C -0.570 177.096 177.584 0.137 0.000 1.119 217 A CA -0.534 51.601 52.037 0.163 0.000 0.790 217 A CB 1.529 20.672 19.000 0.238 0.000 1.273 217 A HN 0.745 nan 8.150 nan 0.000 0.452 218 Q N 0.157 120.057 119.800 0.167 0.000 2.482 218 Q HA 0.717 5.139 4.340 0.136 0.000 0.286 218 Q C -1.967 174.120 176.000 0.146 0.000 1.007 218 Q CA -0.836 55.044 55.803 0.128 0.000 0.801 218 Q CB 1.523 30.328 28.738 0.111 0.000 1.455 218 Q HN 0.672 nan 8.270 nan 0.000 0.398 219 L N 2.640 123.917 121.223 0.090 0.000 2.329 219 L HA 0.785 5.207 4.340 0.136 0.000 0.279 219 L C -1.696 175.260 176.870 0.144 0.000 1.014 219 L CA -0.379 54.477 54.840 0.027 0.000 0.814 219 L CB 1.540 43.558 42.059 -0.069 0.000 1.257 219 L HN 0.762 nan 8.230 nan 0.000 0.424 220 Y N 0.930 121.198 120.300 -0.054 0.000 2.604 220 Y HA 0.682 5.323 4.550 0.152 0.000 0.331 220 Y C -1.115 174.764 175.900 -0.036 0.000 1.158 220 Y CA -0.878 57.197 58.100 -0.041 0.000 1.056 220 Y CB 1.142 39.590 38.460 -0.019 0.000 1.330 220 Y HN 0.670 nan 8.280 nan 0.000 0.457 221 T N 2.245 116.847 114.554 0.080 0.000 2.930 221 T HA 0.504 4.936 4.350 0.136 0.000 0.290 221 T C -0.023 174.758 174.700 0.136 0.000 1.052 221 T CA -0.921 61.181 62.100 0.004 0.000 1.017 221 T CB 1.230 70.081 68.868 -0.029 0.000 1.137 221 T HN 0.851 nan 8.240 nan 0.000 0.511 222 L N 1.318 122.599 121.223 0.096 0.000 2.585 222 L HA 0.241 4.663 4.340 0.136 0.000 0.226 222 L C 1.097 178.012 176.870 0.075 0.000 1.113 222 L CA -0.115 54.793 54.840 0.113 0.000 0.876 222 L CB -0.006 42.111 42.059 0.097 0.000 1.072 222 L HN 0.495 nan 8.230 nan 0.000 0.468 223 Q N 0.247 120.085 119.800 0.063 0.000 2.471 223 Q HA 0.117 4.539 4.340 0.136 0.000 0.223 223 Q C -1.318 174.709 176.000 0.044 0.000 1.045 223 Q CA -1.504 54.332 55.803 0.055 0.000 0.956 223 Q CB 0.020 28.797 28.738 0.065 0.000 1.249 223 Q HN -0.125 nan 8.270 nan 0.000 0.549 224 P HA -0.097 nan 4.420 nan 0.000 0.215 224 P C -0.189 177.122 177.300 0.018 0.000 1.153 224 P CA 1.602 64.718 63.100 0.026 0.000 0.853 224 P CB 0.357 32.069 31.700 0.020 0.000 0.788 225 K N -0.788 119.615 120.400 0.006 0.000 2.464 225 K HA 0.300 4.702 4.320 0.136 0.000 0.253 225 K C -0.940 175.628 176.600 -0.053 0.000 0.933 225 K CA -0.784 55.493 56.287 -0.016 0.000 0.801 225 K CB 1.271 33.761 32.500 -0.018 0.000 1.271 225 K HN -0.164 nan 8.250 nan 0.000 0.430 226 L N 4.872 126.047 121.223 -0.078 0.000 2.456 226 L HA 0.144 4.566 4.340 0.136 0.000 0.272 226 L C -1.192 175.554 176.870 -0.206 0.000 1.189 226 L CA -1.216 53.533 54.840 -0.152 0.000 0.846 226 L CB 0.799 42.777 42.059 -0.135 0.000 1.111 226 L HN 0.668 nan 8.230 nan 0.000 0.475 227 P HA -0.012 nan 4.420 nan 0.000 0.236 227 P C 0.216 177.338 177.300 -0.298 0.000 1.177 227 P CA 0.899 63.779 63.100 -0.367 0.000 0.773 227 P CB 0.670 31.898 31.700 -0.787 0.000 0.878 228 I N 0.755 121.152 120.570 -0.287 0.000 2.460 228 I HA 0.363 4.615 4.170 0.136 0.000 0.298 228 I C -0.738 175.277 176.117 -0.169 0.000 0.989 228 I CA -0.543 60.610 61.300 -0.244 0.000 1.173 228 I CB 2.086 39.930 38.000 -0.261 0.000 1.338 228 I HN -0.151 nan 8.210 nan 0.000 0.456 229 T N 3.695 118.166 114.554 -0.139 0.000 2.933 229 T HA 0.520 4.952 4.350 0.136 0.000 0.305 229 T C -0.738 173.910 174.700 -0.086 0.000 1.092 229 T CA -0.715 61.325 62.100 -0.100 0.000 1.008 229 T CB 1.580 70.399 68.868 -0.081 0.000 1.102 229 T HN 0.229 nan 8.240 nan 0.000 0.469 230 V N 3.540 123.407 119.914 -0.080 0.000 2.498 230 V HA 0.318 4.520 4.120 0.136 0.000 0.279 230 V C 0.854 176.898 176.094 -0.084 0.000 1.048 230 V CA -0.496 61.755 62.300 -0.081 0.000 0.967 230 V CB 0.963 32.740 31.823 -0.077 0.000 0.988 230 V HN 0.892 nan 8.190 nan 0.000 0.473 231 L N 3.094 124.252 121.223 -0.109 0.000 2.609 231 L HA 0.404 4.825 4.340 0.136 0.000 0.230 231 L C 0.533 177.329 176.870 -0.123 0.000 1.087 231 L CA 0.354 55.118 54.840 -0.127 0.000 0.874 231 L CB 0.246 42.184 42.059 -0.202 0.000 1.114 231 L HN 0.770 nan 8.230 nan 0.000 0.488 232 N N -1.082 117.547 118.700 -0.119 0.000 2.815 232 N HA 0.482 5.304 4.740 0.136 0.000 0.253 232 N C -0.354 175.102 175.510 -0.090 0.000 1.202 232 N CA 0.536 53.530 53.050 -0.093 0.000 0.925 232 N CB 1.528 39.962 38.487 -0.088 0.000 1.622 232 N HN 0.148 nan 8.380 nan 0.000 0.497 233 G N 0.821 109.581 108.800 -0.067 0.000 2.741 233 G HA2 0.390 4.432 3.960 0.136 0.000 0.222 233 G HA3 0.390 4.432 3.960 0.136 0.000 0.222 233 G C -0.917 173.940 174.900 -0.073 0.000 1.364 233 G CA -0.214 44.844 45.100 -0.069 0.000 0.866 233 G HN 1.295 nan 8.290 nan 0.000 0.555 234 A N 0.990 123.763 122.820 -0.077 0.000 2.457 234 A HA 0.824 5.226 4.320 0.136 0.000 0.283 234 A C -1.779 175.747 177.584 -0.096 0.000 1.166 234 A CA -0.498 51.490 52.037 -0.082 0.000 0.740 234 A CB 1.744 20.697 19.000 -0.079 0.000 1.181 234 A HN 0.923 nan 8.150 nan 0.000 0.446 235 P HA 0.348 nan 4.420 nan 0.000 0.272 235 P C 0.393 177.621 177.300 -0.120 0.000 1.223 235 P CA 0.331 63.379 63.100 -0.086 0.000 0.784 235 P CB 1.398 33.044 31.700 -0.090 0.000 0.923 236 G N 0.248 108.977 108.800 -0.117 0.000 2.601 236 G HA2 0.290 4.332 3.960 0.136 0.000 0.317 236 G HA3 0.290 4.332 3.960 0.136 0.000 0.317 236 G C 0.067 174.964 174.900 -0.005 0.000 1.246 236 G CA -0.732 44.292 45.100 -0.126 0.000 1.012 236 G HN 0.396 nan 8.290 nan 0.000 0.494 237 F N -0.209 119.708 119.950 -0.055 0.000 2.134 237 F HA -0.032 4.576 4.527 0.135 0.000 0.299 237 F C 2.358 178.146 175.800 -0.021 0.000 1.097 237 F CA 1.419 59.410 58.000 -0.015 0.000 1.264 237 F CB 0.030 39.053 39.000 0.039 0.000 1.001 237 F HN 0.234 nan 8.300 nan 0.000 0.479 238 I N -0.020 120.731 120.570 0.302 0.000 2.353 238 I HA -0.297 3.955 4.170 0.136 0.000 0.248 238 I C 1.966 178.064 176.117 -0.031 0.000 1.119 238 I CA 1.355 62.767 61.300 0.185 0.000 1.417 238 I CB -0.691 37.429 38.000 0.199 0.000 1.078 238 I HN 0.205 nan 8.210 nan 0.000 0.421 239 N N 0.887 119.536 118.700 -0.085 0.000 2.091 239 N HA -0.220 4.602 4.740 0.136 0.000 0.193 239 N C 1.909 177.084 175.510 -0.559 0.000 1.021 239 N CA 1.140 54.016 53.050 -0.289 0.000 0.862 239 N CB -0.076 38.330 38.487 -0.135 0.000 1.018 239 N HN 0.297 nan 8.380 nan 0.000 0.429 240 L N 0.121 121.120 121.223 -0.374 0.000 2.109 240 L HA -0.119 4.303 4.340 0.136 0.000 0.207 240 L C 2.400 179.063 176.870 -0.345 0.000 1.086 240 L CA 0.605 55.213 54.840 -0.387 0.000 0.760 240 L CB -0.255 41.596 42.059 -0.346 0.000 0.910 240 L HN 0.368 nan 8.230 nan 0.000 0.437 241 C N 0.281 119.415 119.300 -0.276 0.000 2.432 241 C HA -0.193 4.349 4.460 0.136 0.000 0.277 241 C C 2.938 177.858 174.990 -0.117 0.000 1.249 241 C CA 1.173 60.104 59.018 -0.146 0.000 1.725 241 C CB -1.433 26.298 27.740 -0.016 0.000 2.028 241 C HN 0.689 nan 8.230 nan 0.000 0.477 242 D N 0.168 120.472 120.400 -0.161 0.000 2.117 242 D HA 0.047 4.769 4.640 0.136 0.000 0.197 242 D C 2.150 178.199 176.300 -0.419 0.000 0.987 242 D CA 1.623 55.543 54.000 -0.133 0.000 0.829 242 D CB -0.468 40.293 40.800 -0.066 0.000 0.961 242 D HN 0.606 nan 8.370 nan 0.000 0.460 243 A N -0.144 122.270 122.820 -0.677 0.000 1.897 243 A HA 0.212 4.614 4.320 0.136 0.000 0.215 243 A C 2.368 179.779 177.584 -0.288 0.000 1.181 243 A CA 1.120 52.795 52.037 -0.603 0.000 0.620 243 A CB -0.336 18.151 19.000 -0.855 0.000 0.821 243 A HN 0.474 nan 8.150 nan 0.000 0.443 244 L N -0.290 120.784 121.223 -0.248 0.000 2.217 244 L HA -0.115 4.306 4.340 0.136 0.000 0.211 244 L C 2.217 179.019 176.870 -0.113 0.000 1.107 244 L CA 0.812 55.591 54.840 -0.102 0.000 0.783 244 L CB -0.464 41.538 42.059 -0.096 0.000 0.919 244 L HN 0.432 nan 8.230 nan 0.000 0.442 245 N N 0.083 118.660 118.700 -0.205 0.000 2.251 245 N HA -0.039 4.783 4.740 0.136 0.000 0.181 245 N C 1.941 177.075 175.510 -0.627 0.000 1.019 245 N CA 1.202 54.102 53.050 -0.250 0.000 0.862 245 N CB 0.122 38.646 38.487 0.063 0.000 0.992 245 N HN 0.240 nan 8.380 nan 0.000 0.429 246 A N 1.538 123.790 122.820 -0.947 0.000 1.902 246 A HA -0.163 4.239 4.320 0.136 0.000 0.217 246 A C 1.973 179.305 177.584 -0.420 0.000 1.181 246 A CA 0.846 52.225 52.037 -1.096 0.000 0.623 246 A CB -1.155 17.209 19.000 -1.061 0.000 0.818 246 A HN 0.608 nan 8.150 nan 0.000 0.443 247 W N 0.805 121.863 121.300 -0.404 0.000 2.342 247 W HA -0.235 4.509 4.660 0.139 0.000 0.297 247 W C 1.888 178.246 176.519 -0.268 0.000 1.213 247 W CA 1.846 59.040 57.345 -0.251 0.000 1.251 247 W CB -0.108 29.243 29.460 -0.181 0.000 1.136 247 W HN 0.530 nan 8.180 nan 0.000 0.526 248 Q N 0.435 119.875 119.800 -0.600 0.000 2.187 248 Q HA -0.172 4.249 4.340 0.136 0.000 0.199 248 Q C 2.425 177.962 176.000 -0.771 0.000 0.957 248 Q CA 1.295 56.657 55.803 -0.734 0.000 0.857 248 Q CB -0.385 27.934 28.738 -0.700 0.000 0.929 248 Q HN 0.385 nan 8.270 nan 0.000 0.453 249 L N 0.908 121.647 121.223 -0.807 0.000 1.976 249 L HA -0.178 4.244 4.340 0.136 0.000 0.209 249 L C 2.378 179.116 176.870 -0.221 0.000 1.071 249 L CA 1.297 55.902 54.840 -0.391 0.000 0.746 249 L CB -0.321 41.675 42.059 -0.104 0.000 0.890 249 L HN 0.191 nan 8.230 nan 0.000 0.432 250 V N -2.499 117.272 119.914 -0.238 0.000 2.392 250 V HA -0.285 3.916 4.120 0.136 0.000 0.249 250 V C 2.515 178.424 176.094 -0.308 0.000 1.059 250 V CA 2.085 64.274 62.300 -0.184 0.000 1.051 250 V CB -1.018 30.742 31.823 -0.105 0.000 0.658 250 V HN 0.471 nan 8.190 nan 0.000 0.455 251 K N 0.169 120.223 120.400 -0.577 0.000 2.057 251 K HA -0.186 4.216 4.320 0.136 0.000 0.207 251 K C 2.302 178.716 176.600 -0.309 0.000 1.049 251 K CA 2.033 57.960 56.287 -0.601 0.000 0.931 251 K CB -0.145 31.803 32.500 -0.920 0.000 0.714 251 K HN 0.688 nan 8.250 nan 0.000 0.440 252 E N 0.544 120.600 120.200 -0.240 0.000 2.072 252 E HA -0.147 4.285 4.350 0.136 0.000 0.191 252 E C 2.155 178.719 176.600 -0.061 0.000 0.985 252 E CA 0.703 57.041 56.400 -0.103 0.000 0.801 252 E CB 0.004 29.698 29.700 -0.011 0.000 0.750 252 E HN 0.262 nan 8.360 nan 0.000 0.452 253 L N 0.978 122.167 121.223 -0.057 0.000 2.042 253 L HA -0.235 4.187 4.340 0.136 0.000 0.210 253 L C 2.582 179.432 176.870 -0.034 0.000 1.076 253 L CA 1.200 56.027 54.840 -0.022 0.000 0.749 253 L CB -0.281 41.774 42.059 -0.005 0.000 0.893 253 L HN 0.047 nan 8.230 nan 0.000 0.432 254 K N 0.559 120.922 120.400 -0.062 0.000 2.057 254 K HA -0.255 4.146 4.320 0.136 0.000 0.207 254 K C 1.936 178.509 176.600 -0.044 0.000 1.049 254 K CA 1.734 57.990 56.287 -0.052 0.000 0.931 254 K CB -0.090 32.365 32.500 -0.075 0.000 0.714 254 K HN 0.106 nan 8.250 nan 0.000 0.440 255 E N -0.725 119.440 120.200 -0.058 0.000 2.152 255 E HA 0.040 4.472 4.350 0.136 0.000 0.192 255 E C 1.560 178.145 176.600 -0.024 0.000 0.983 255 E CA 1.050 57.425 56.400 -0.042 0.000 0.818 255 E CB -0.140 29.529 29.700 -0.053 0.000 0.758 255 E HN 0.389 nan 8.360 nan 0.000 0.467 256 A N -0.251 122.558 122.820 -0.018 0.000 2.014 256 A HA 0.013 4.415 4.320 0.136 0.000 0.218 256 A C 1.675 179.257 177.584 -0.004 0.000 1.163 256 A CA 0.963 52.999 52.037 -0.001 0.000 0.652 256 A CB -0.036 18.973 19.000 0.015 0.000 0.808 256 A HN 0.312 nan 8.150 nan 0.000 0.449 257 L N -2.290 118.927 121.223 -0.010 0.000 3.217 257 L HA 0.322 4.744 4.340 0.136 0.000 0.288 257 L C 1.126 177.990 176.870 -0.010 0.000 1.202 257 L CA 0.180 55.013 54.840 -0.011 0.000 1.027 257 L CB 0.141 42.192 42.059 -0.013 0.000 1.427 257 L HN 0.398 nan 8.230 nan 0.000 0.600 258 G N 2.409 111.202 108.800 -0.011 0.000 2.372 258 G HA2 -0.254 3.788 3.960 0.136 0.000 0.297 258 G HA3 -0.254 3.788 3.960 0.136 0.000 0.297 258 G C -0.291 174.606 174.900 -0.004 0.000 1.005 258 G CA 0.448 45.543 45.100 -0.009 0.000 1.173 258 G HN 0.370 nan 8.290 nan 0.000 0.511 259 I N -1.190 119.379 120.570 -0.003 0.000 2.787 259 I HA 0.267 4.519 4.170 0.136 0.000 0.294 259 I C -2.632 173.491 176.117 0.009 0.000 1.365 259 I CA -2.606 58.697 61.300 0.005 0.000 1.029 259 I CB 2.509 40.514 38.000 0.008 0.000 1.313 259 I HN -0.144 nan 8.210 nan 0.000 0.431 260 P HA 0.105 nan 4.420 nan 0.000 0.262 260 P C -0.899 176.422 177.300 0.035 0.000 1.182 260 P CA 0.283 63.398 63.100 0.025 0.000 0.761 260 P CB 0.532 32.251 31.700 0.032 0.000 0.795 261 A N 2.843 125.683 122.820 0.033 0.000 2.380 261 A HA 0.883 5.285 4.320 0.136 0.000 0.315 261 A C -0.967 176.664 177.584 0.079 0.000 1.101 261 A CA -0.464 51.601 52.037 0.046 0.000 0.771 261 A CB 1.741 20.750 19.000 0.015 0.000 1.287 261 A HN 0.513 nan 8.150 nan 0.000 0.436 262 A N -0.065 122.827 122.820 0.121 0.000 2.549 262 A HA 0.908 5.310 4.320 0.136 0.000 0.297 262 A C -0.496 177.224 177.584 0.227 0.000 1.061 262 A CA 0.080 52.229 52.037 0.186 0.000 0.690 262 A CB 1.340 20.498 19.000 0.264 0.000 1.287 262 A HN 2.490 nan 8.150 nan 0.000 0.402 263 A N 0.225 123.212 122.820 0.279 0.000 2.454 263 A HA 0.856 5.258 4.320 0.136 0.000 0.302 263 A C -0.305 177.550 177.584 0.452 0.000 1.079 263 A CA -0.095 52.156 52.037 0.356 0.000 0.731 263 A CB 1.604 20.854 19.000 0.416 0.000 1.299 263 A HN 1.843 nan 8.150 nan 0.000 0.413 264 S N 1.231 117.199 115.700 0.446 0.000 2.601 264 S HA 0.660 5.212 4.470 0.136 0.000 0.312 264 S C -1.426 173.420 174.600 0.410 0.000 1.107 264 S CA -0.309 58.154 58.200 0.437 0.000 1.129 264 S CB -0.470 62.929 63.200 0.330 0.000 0.982 264 S HN 0.405 nan 8.310 nan 0.000 0.469 265 F N 3.826 123.914 119.950 0.230 0.000 2.399 265 F HA 0.618 5.227 4.527 0.138 0.000 0.334 265 F C 0.622 176.538 175.800 0.192 0.000 1.097 265 F CA -0.555 57.569 58.000 0.206 0.000 1.076 265 F CB 1.406 40.526 39.000 0.200 0.000 1.162 265 F HN 0.286 nan 8.300 nan 0.000 0.495 266 K N 3.066 123.583 120.400 0.195 0.000 2.578 266 K HA 0.223 4.625 4.320 0.136 0.000 0.250 266 K C -0.710 176.013 176.600 0.204 0.000 0.955 266 K CA -0.641 55.746 56.287 0.166 0.000 0.825 266 K CB 1.208 33.812 32.500 0.173 0.000 1.151 266 K HN 0.661 nan 8.250 nan 0.000 0.432 267 H N 1.564 120.753 119.070 0.198 0.000 2.677 267 H HA -0.134 4.504 4.556 0.136 0.000 0.321 267 H C 0.265 175.713 175.328 0.199 0.000 1.171 267 H CA 0.888 57.043 56.048 0.178 0.000 1.139 267 H CB -1.452 28.393 29.762 0.138 0.000 1.515 267 H HN 0.587 nan 8.280 nan 0.000 0.423 268 V N -1.833 118.291 119.914 0.350 0.000 3.525 268 V HA -0.319 3.883 4.120 0.136 0.000 0.200 268 V C 0.782 177.127 176.094 0.417 0.000 0.451 268 V CA 1.694 64.250 62.300 0.428 0.000 1.037 268 V CB -1.857 30.156 31.823 0.317 0.000 1.164 268 V HN 0.603 nan 8.190 nan 0.000 1.195 269 S N 0.508 116.289 115.700 0.136 0.000 2.549 269 S HA 0.677 5.229 4.470 0.136 0.000 0.280 269 S C -2.707 171.352 174.600 -0.903 0.000 1.109 269 S CA -0.967 57.126 58.200 -0.178 0.000 0.905 269 S CB 3.146 66.337 63.200 -0.016 0.000 1.081 269 S HN 0.311 nan 8.310 nan 0.000 0.477 270 P HA 0.260 nan 4.420 nan 0.000 0.282 270 P C -0.172 176.922 177.300 -0.343 0.000 1.262 270 P CA -0.183 62.288 63.100 -1.048 0.000 0.773 270 P CB 1.233 32.648 31.700 -0.474 0.000 0.879 271 A N 3.661 126.375 122.820 -0.176 0.000 1.975 271 A HA 0.401 4.803 4.320 0.136 0.000 0.215 271 A C 1.105 178.706 177.584 0.029 0.000 1.170 271 A CA 1.384 53.417 52.037 -0.005 0.000 0.656 271 A CB -0.560 18.489 19.000 0.082 0.000 0.821 271 A HN 0.661 nan 8.150 nan 0.000 0.449 272 G N -3.013 105.811 108.800 0.041 0.000 2.623 272 G HA2 0.682 4.723 3.960 0.136 0.000 0.290 272 G HA3 0.682 4.723 3.960 0.136 0.000 0.290 272 G C -1.346 173.622 174.900 0.114 0.000 1.437 272 G CA 0.110 45.249 45.100 0.066 0.000 0.798 272 G HN 1.329 nan 8.290 nan 0.000 0.488 273 A N -1.191 121.689 122.820 0.101 0.000 2.573 273 A HA 1.031 5.433 4.320 0.136 0.000 0.299 273 A C -0.553 177.081 177.584 0.084 0.000 1.060 273 A CA 0.428 52.545 52.037 0.133 0.000 0.736 273 A CB 1.056 20.150 19.000 0.157 0.000 1.280 273 A HN 2.610 nan 8.150 nan 0.000 0.401 274 A N 0.535 123.410 122.820 0.092 0.000 2.612 274 A HA 0.865 5.267 4.320 0.136 0.000 0.293 274 A C -0.392 177.233 177.584 0.068 0.000 1.075 274 A CA 0.012 52.088 52.037 0.065 0.000 0.680 274 A CB 0.661 19.697 19.000 0.060 0.000 1.279 274 A HN 2.350 nan 8.150 nan 0.000 0.411 275 V N -0.715 119.229 119.914 0.050 0.000 2.837 275 V HA 0.791 4.993 4.120 0.136 0.000 0.310 275 V C 0.942 177.069 176.094 0.054 0.000 1.059 275 V CA 0.079 62.406 62.300 0.044 0.000 1.004 275 V CB 1.366 33.204 31.823 0.025 0.000 1.045 275 V HN 1.747 nan 8.190 nan 0.000 0.465 276 G N 2.711 111.542 108.800 0.051 0.000 3.266 276 G HA2 0.202 4.244 3.960 0.136 0.000 0.238 276 G HA3 0.202 4.244 3.960 0.136 0.000 0.238 276 G C 0.254 175.183 174.900 0.049 0.000 1.076 276 G CA -0.271 44.862 45.100 0.054 0.000 1.804 276 G HN 0.675 nan 8.290 nan 0.000 0.600 277 I N 1.007 121.610 120.570 0.055 0.000 2.556 277 I HA 0.092 4.344 4.170 0.136 0.000 0.284 277 I C -1.714 174.447 176.117 0.074 0.000 1.114 277 I CA -1.782 59.552 61.300 0.057 0.000 1.418 277 I CB 1.251 39.288 38.000 0.061 0.000 1.394 277 I HN 0.066 nan 8.210 nan 0.000 0.552 278 P HA -0.021 nan 4.420 nan 0.000 0.264 278 P C -0.901 176.473 177.300 0.124 0.000 1.179 278 P CA -0.035 63.107 63.100 0.070 0.000 0.763 278 P CB 0.369 32.101 31.700 0.054 0.000 0.806 279 L N 2.065 123.382 121.223 0.156 0.000 2.312 279 L HA 0.332 4.754 4.340 0.136 0.000 0.281 279 L C 1.048 178.132 176.870 0.355 0.000 1.070 279 L CA 0.234 55.224 54.840 0.250 0.000 0.805 279 L CB 0.956 43.181 42.059 0.277 0.000 1.174 279 L HN 0.377 nan 8.230 nan 0.000 0.434 280 S N 1.861 117.734 115.700 0.288 0.000 2.634 280 S HA 0.412 4.963 4.470 0.136 0.000 0.261 280 S C 1.421 176.126 174.600 0.175 0.000 1.271 280 S CA 0.247 58.596 58.200 0.247 0.000 0.985 280 S CB 0.974 64.287 63.200 0.189 0.000 0.968 280 S HN 0.724 nan 8.310 nan 0.000 0.568 281 E N 0.759 120.968 120.200 0.015 0.000 2.070 281 E HA -0.212 4.220 4.350 0.136 0.000 0.197 281 E C 1.583 178.170 176.600 -0.021 0.000 1.004 281 E CA 2.121 58.435 56.400 -0.144 0.000 0.805 281 E CB -1.532 28.112 29.700 -0.094 0.000 0.744 281 E HN 0.821 nan 8.360 nan 0.000 0.451 282 D N -0.008 120.400 120.400 0.013 0.000 2.144 282 D HA -0.082 4.640 4.640 0.136 0.000 0.200 282 D C 1.982 178.295 176.300 0.022 0.000 0.978 282 D CA 1.221 55.217 54.000 -0.005 0.000 0.833 282 D CB -0.259 40.559 40.800 0.031 0.000 0.961 282 D HN 0.672 nan 8.370 nan 0.000 0.470 283 E N 0.675 120.952 120.200 0.128 0.000 2.153 283 E HA -0.106 4.326 4.350 0.136 0.000 0.194 283 E C 2.041 178.738 176.600 0.162 0.000 0.988 283 E CA 0.792 57.298 56.400 0.177 0.000 0.811 283 E CB 0.018 29.886 29.700 0.280 0.000 0.746 283 E HN 0.168 nan 8.360 nan 0.000 0.466 284 A N 1.682 124.618 122.820 0.193 0.000 1.933 284 A HA -0.202 4.200 4.320 0.136 0.000 0.218 284 A C 1.955 179.660 177.584 0.201 0.000 1.175 284 A CA 1.280 53.468 52.037 0.252 0.000 0.628 284 A CB -0.156 19.042 19.000 0.329 0.000 0.814 284 A HN 0.032 nan 8.150 nan 0.000 0.444 285 K N -0.555 119.905 120.400 0.100 0.000 2.007 285 K HA -0.013 4.389 4.320 0.136 0.000 0.206 285 K C 1.870 178.450 176.600 -0.033 0.000 1.047 285 K CA 1.270 57.557 56.287 -0.001 0.000 0.937 285 K CB -0.395 32.011 32.500 -0.157 0.000 0.718 285 K HN 0.268 nan 8.250 nan 0.000 0.438 286 V N 1.184 121.032 119.914 -0.111 0.000 2.469 286 V HA -0.268 3.934 4.120 0.136 0.000 0.251 286 V C 2.032 178.116 176.094 -0.018 0.000 1.064 286 V CA 1.390 63.580 62.300 -0.183 0.000 1.066 286 V CB -0.442 31.078 31.823 -0.505 0.000 0.667 286 V HN 0.413 nan 8.190 nan 0.000 0.461 287 C N 0.021 119.357 119.300 0.060 0.000 2.626 287 C HA 0.227 4.769 4.460 0.136 0.000 0.266 287 C C 1.465 176.506 174.990 0.085 0.000 1.317 287 C CA -0.479 58.600 59.018 0.101 0.000 1.716 287 C CB -1.028 26.789 27.740 0.129 0.000 1.819 287 C HN 0.654 nan 8.230 nan 0.000 0.578 288 M N -0.323 119.326 119.600 0.082 0.000 2.576 288 M HA -0.149 4.413 4.480 0.136 0.000 0.200 288 M C 0.750 177.115 176.300 0.107 0.000 0.487 288 M CA 0.955 56.308 55.300 0.088 0.000 0.553 288 M CB -2.425 30.214 32.600 0.066 0.000 2.042 288 M HN 0.472 nan 8.290 nan 0.000 0.758 289 V N -4.090 115.906 119.914 0.137 0.000 3.477 289 V HA 0.066 4.268 4.120 0.136 0.000 0.297 289 V C 1.675 177.863 176.094 0.158 0.000 1.433 289 V CA 0.530 62.907 62.300 0.129 0.000 1.052 289 V CB -0.610 31.281 31.823 0.114 0.000 0.895 289 V HN 0.407 nan 8.190 nan 0.000 0.438 290 Y N 4.272 124.628 120.300 0.092 0.000 2.172 290 Y HA -0.348 4.284 4.550 0.136 0.000 0.280 290 Y C 2.144 178.105 175.900 0.103 0.000 1.209 290 Y CA 2.564 60.716 58.100 0.086 0.000 1.171 290 Y CB -0.240 38.216 38.460 -0.006 0.000 0.965 290 Y HN 0.619 nan 8.280 nan 0.000 0.520 291 D N -0.478 119.959 120.400 0.061 0.000 2.378 291 D HA -0.123 4.599 4.640 0.136 0.000 0.227 291 D C 0.874 177.149 176.300 -0.041 0.000 1.012 291 D CA 0.894 54.891 54.000 -0.006 0.000 0.905 291 D CB -0.373 40.482 40.800 0.092 0.000 0.895 291 D HN 0.554 nan 8.370 nan 0.000 0.532 292 L N -0.765 120.442 121.223 -0.028 0.000 3.333 292 L HA 0.155 4.576 4.340 0.136 0.000 0.299 292 L C 1.177 178.042 176.870 -0.008 0.000 1.256 292 L CA -0.604 54.231 54.840 -0.009 0.000 1.037 292 L CB -0.112 41.959 42.059 0.020 0.000 1.423 292 L HN -0.161 nan 8.230 nan 0.000 0.605 293 Y N 2.649 122.828 120.300 -0.201 0.000 2.181 293 Y HA -0.374 4.258 4.550 0.136 0.000 0.284 293 Y C 2.466 178.301 175.900 -0.107 0.000 1.179 293 Y CA 2.500 60.492 58.100 -0.180 0.000 1.179 293 Y CB 0.005 38.254 38.460 -0.352 0.000 0.973 293 Y HN 0.225 nan 8.280 nan 0.000 0.519 294 K N -0.561 119.786 120.400 -0.088 0.000 2.486 294 K HA 0.044 4.446 4.320 0.136 0.000 0.194 294 K C 1.642 178.169 176.600 -0.121 0.000 1.033 294 K CA 1.403 57.618 56.287 -0.119 0.000 1.004 294 K CB -1.418 31.064 32.500 -0.031 0.000 0.798 294 K HN 0.612 nan 8.250 nan 0.000 0.495 295 T N -2.212 112.279 114.554 -0.105 0.000 3.023 295 T HA 0.319 4.751 4.350 0.136 0.000 0.253 295 T C 0.689 175.343 174.700 -0.076 0.000 1.038 295 T CA -0.468 61.590 62.100 -0.071 0.000 0.962 295 T CB -0.469 68.378 68.868 -0.036 0.000 1.018 295 T HN 0.255 nan 8.240 nan 0.000 0.521 296 L N 3.949 125.099 121.223 -0.122 0.000 2.559 296 L HA 0.261 4.683 4.340 0.136 0.000 0.274 296 L C 1.000 177.824 176.870 -0.077 0.000 1.205 296 L CA -0.120 54.664 54.840 -0.094 0.000 0.907 296 L CB 0.131 42.106 42.059 -0.140 0.000 1.153 296 L HN 0.407 nan 8.230 nan 0.000 0.490 297 T N -0.044 114.493 114.554 -0.028 0.000 2.948 297 T HA 0.401 4.833 4.350 0.136 0.000 0.285 297 T C -2.018 172.684 174.700 0.004 0.000 1.019 297 T CA -2.023 60.068 62.100 -0.016 0.000 1.013 297 T CB 1.880 70.747 68.868 -0.002 0.000 1.117 297 T HN 0.219 nan 8.240 nan 0.000 0.533 298 P HA -0.042 nan 4.420 nan 0.000 0.216 298 P C 1.508 178.833 177.300 0.042 0.000 1.150 298 P CA 0.326 63.440 63.100 0.022 0.000 0.837 298 P CB -0.034 31.676 31.700 0.016 0.000 0.786 299 I N -0.066 120.530 120.570 0.042 0.000 2.233 299 I HA -0.198 4.054 4.170 0.136 0.000 0.243 299 I C 2.009 178.185 176.117 0.100 0.000 1.093 299 I CA 1.824 63.162 61.300 0.062 0.000 1.380 299 I CB -1.098 36.928 38.000 0.043 0.000 1.067 299 I HN -0.082 nan 8.210 nan 0.000 0.413 300 S N 1.086 116.840 115.700 0.090 0.000 2.399 300 S HA -0.098 4.454 4.470 0.136 0.000 0.231 300 S C 2.220 176.896 174.600 0.126 0.000 1.022 300 S CA 0.883 59.159 58.200 0.127 0.000 0.983 300 S CB -1.182 62.070 63.200 0.086 0.000 0.803 300 S HN 0.521 nan 8.310 nan 0.000 0.480 301 A N 2.023 124.894 122.820 0.085 0.000 1.930 301 A HA 0.339 4.741 4.320 0.136 0.000 0.217 301 A C 2.520 180.162 177.584 0.096 0.000 1.175 301 A CA 1.604 53.689 52.037 0.080 0.000 0.627 301 A CB -1.387 17.649 19.000 0.059 0.000 0.815 301 A HN 0.831 nan 8.150 nan 0.000 0.443 302 A N -1.477 121.408 122.820 0.107 0.000 1.898 302 A HA -0.095 4.307 4.320 0.136 0.000 0.216 302 A C 2.155 179.829 177.584 0.149 0.000 1.181 302 A CA 1.645 53.752 52.037 0.117 0.000 0.620 302 A CB -0.795 18.274 19.000 0.115 0.000 0.819 302 A HN 0.674 nan 8.150 nan 0.000 0.442 303 Y N 0.778 121.127 120.300 0.082 0.000 2.242 303 Y HA -0.011 4.622 4.550 0.137 0.000 0.291 303 Y C 2.595 178.559 175.900 0.107 0.000 1.137 303 Y CA 0.671 58.827 58.100 0.093 0.000 1.181 303 Y CB -0.663 37.846 38.460 0.082 0.000 0.989 303 Y HN 0.307 nan 8.280 nan 0.000 0.527 304 A N 0.426 123.194 122.820 -0.087 0.000 1.940 304 A HA -0.210 4.192 4.320 0.136 0.000 0.219 304 A C 2.346 179.896 177.584 -0.057 0.000 1.176 304 A CA 1.976 53.956 52.037 -0.094 0.000 0.631 304 A CB -0.499 18.529 19.000 0.046 0.000 0.814 304 A HN 0.529 nan 8.150 nan 0.000 0.446 305 R N -1.041 119.466 120.500 0.010 0.000 2.100 305 R HA 0.155 4.577 4.340 0.136 0.000 0.220 305 R C 2.513 178.834 176.300 0.035 0.000 1.091 305 R CA 0.858 57.001 56.100 0.073 0.000 0.986 305 R CB -0.339 30.022 30.300 0.102 0.000 0.888 305 R HN 0.478 nan 8.270 nan 0.000 0.444 306 A N 1.350 124.171 122.820 0.001 0.000 1.877 306 A HA -0.168 4.234 4.320 0.136 0.000 0.216 306 A C 2.075 179.660 177.584 0.001 0.000 1.186 306 A CA 1.214 53.276 52.037 0.041 0.000 0.620 306 A CB -0.410 18.676 19.000 0.143 0.000 0.822 306 A HN 0.147 nan 8.150 nan 0.000 0.443 307 R N -0.528 119.856 120.500 -0.194 0.000 2.276 307 R HA -0.039 4.382 4.340 0.136 0.000 0.203 307 R C 1.861 178.159 176.300 -0.004 0.000 1.017 307 R CA 0.891 56.901 56.100 -0.151 0.000 1.010 307 R CB -0.321 29.696 30.300 -0.472 0.000 0.900 307 R HN 0.496 nan 8.270 nan 0.000 0.469 308 G N -0.523 108.302 108.800 0.040 0.000 2.683 308 G HA2 -0.072 3.970 3.960 0.136 0.000 0.213 308 G HA3 -0.072 3.970 3.960 0.136 0.000 0.213 308 G C 1.407 176.492 174.900 0.309 0.000 1.142 308 G CA 0.436 45.642 45.100 0.177 0.000 0.793 308 G HN 0.340 nan 8.290 nan 0.000 0.534 309 A N 0.202 123.145 122.820 0.205 0.000 1.884 309 A HA -0.099 4.303 4.320 0.136 0.000 0.219 309 A C 1.243 179.010 177.584 0.306 0.000 1.197 309 A CA 1.867 54.001 52.037 0.163 0.000 0.637 309 A CB -0.118 18.907 19.000 0.043 0.000 0.827 309 A HN 0.294 nan 8.150 nan 0.000 0.450 310 D N -2.446 118.098 120.400 0.240 0.000 2.328 310 D HA 0.287 5.008 4.640 0.136 0.000 0.243 310 D C 0.745 177.166 176.300 0.203 0.000 1.324 310 D CA -0.412 53.733 54.000 0.243 0.000 0.966 310 D CB 0.424 41.344 40.800 0.201 0.000 1.324 310 D HN 0.223 nan 8.370 nan 0.000 0.549 311 R N 1.707 122.328 120.500 0.201 0.000 2.120 311 R HA -0.095 4.327 4.340 0.136 0.000 0.234 311 R C 2.052 178.452 176.300 0.166 0.000 1.123 311 R CA 1.043 57.242 56.100 0.164 0.000 0.975 311 R CB 0.092 30.477 30.300 0.141 0.000 0.866 311 R HN 0.451 nan 8.270 nan 0.000 0.446 312 M N 0.255 119.948 119.600 0.155 0.000 2.099 312 M HA -0.124 4.438 4.480 0.136 0.000 0.262 312 M C 1.825 178.232 176.300 0.178 0.000 1.067 312 M CA 1.784 57.164 55.300 0.133 0.000 1.124 312 M CB 0.101 32.756 32.600 0.093 0.000 1.353 312 M HN -0.031 nan 8.290 nan 0.000 0.410 313 S N 0.417 116.223 115.700 0.178 0.000 2.419 313 S HA -0.094 4.458 4.470 0.136 0.000 0.233 313 S C 1.723 176.459 174.600 0.226 0.000 1.016 313 S CA 1.504 59.820 58.200 0.193 0.000 0.974 313 S CB -0.281 63.020 63.200 0.167 0.000 0.786 313 S HN 0.550 nan 8.310 nan 0.000 0.492 314 S N 0.920 116.752 115.700 0.221 0.000 2.607 314 S HA 0.149 4.701 4.470 0.136 0.000 0.224 314 S C 0.348 175.096 174.600 0.246 0.000 0.969 314 S CA -0.197 58.136 58.200 0.221 0.000 0.927 314 S CB -0.355 62.961 63.200 0.194 0.000 0.772 314 S HN 0.566 nan 8.310 nan 0.000 0.533 315 F N 2.635 122.656 119.950 0.117 0.000 2.538 315 F HA 0.405 5.014 4.527 0.137 0.000 0.382 315 F C 1.171 177.039 175.800 0.113 0.000 1.069 315 F CA 0.567 58.630 58.000 0.104 0.000 1.138 315 F CB -0.389 38.661 39.000 0.084 0.000 1.068 315 F HN 0.193 nan 8.300 nan 0.000 0.556 316 G N 3.932 112.550 108.800 -0.305 0.000 2.131 316 G HA2 -0.242 3.799 3.960 0.136 0.000 0.223 316 G HA3 -0.242 3.799 3.960 0.136 0.000 0.223 316 G C -0.244 174.659 174.900 0.005 0.000 0.990 316 G CA -0.043 44.926 45.100 -0.219 0.000 0.671 316 G HN 0.986 nan 8.290 nan 0.000 0.521 317 D N -0.550 119.896 120.400 0.078 0.000 2.358 317 D HA 0.459 5.181 4.640 0.136 0.000 0.244 317 D C -0.419 175.979 176.300 0.164 0.000 1.163 317 D CA -0.630 53.473 54.000 0.171 0.000 0.945 317 D CB 1.151 42.090 40.800 0.231 0.000 1.152 317 D HN 0.091 nan 8.370 nan 0.000 0.451 318 F N 1.748 121.784 119.950 0.143 0.000 2.325 318 F HA 0.233 4.842 4.527 0.137 0.000 0.369 318 F C -0.274 175.609 175.800 0.138 0.000 1.095 318 F CA -0.965 57.090 58.000 0.091 0.000 1.082 318 F CB 0.946 39.976 39.000 0.049 0.000 1.289 318 F HN 0.231 nan 8.300 nan 0.000 0.462 319 V N 5.697 125.613 119.914 0.004 0.000 2.775 319 V HA 0.789 4.991 4.120 0.136 0.000 0.299 319 V C -0.495 175.670 176.094 0.118 0.000 1.062 319 V CA 0.114 62.463 62.300 0.082 0.000 1.063 319 V CB 0.924 32.630 31.823 -0.196 0.000 0.994 319 V HN 0.923 nan 8.190 nan 0.000 0.483 320 A N 7.090 130.008 122.820 0.163 0.000 2.398 320 A HA 0.800 5.202 4.320 0.136 0.000 0.301 320 A C -1.094 176.577 177.584 0.144 0.000 1.041 320 A CA -0.721 51.418 52.037 0.171 0.000 0.711 320 A CB 1.213 20.315 19.000 0.171 0.000 1.240 320 A HN 0.918 nan 8.150 nan 0.000 0.420 321 L N 2.079 123.379 121.223 0.128 0.000 2.342 321 L HA 0.460 4.882 4.340 0.136 0.000 0.271 321 L C 1.405 178.387 176.870 0.187 0.000 1.008 321 L CA -0.469 54.434 54.840 0.104 0.000 0.818 321 L CB 2.355 44.422 42.059 0.013 0.000 1.296 321 L HN 0.931 nan 8.230 nan 0.000 0.427 322 S N -1.012 114.765 115.700 0.127 0.000 2.458 322 S HA 0.091 4.643 4.470 0.136 0.000 0.223 322 S C 0.226 174.900 174.600 0.122 0.000 1.019 322 S CA -0.009 58.267 58.200 0.127 0.000 0.937 322 S CB 0.076 63.273 63.200 -0.005 0.000 0.788 322 S HN 0.624 nan 8.310 nan 0.000 0.511 323 D N 1.437 121.872 120.400 0.058 0.000 2.342 323 D HA 0.496 5.218 4.640 0.136 0.000 0.243 323 D C -0.518 175.762 176.300 -0.034 0.000 1.019 323 D CA -0.737 53.276 54.000 0.022 0.000 0.864 323 D CB 1.811 42.620 40.800 0.015 0.000 1.315 323 D HN -0.002 nan 8.370 nan 0.000 0.468 324 V N 0.978 120.854 119.914 -0.062 0.000 2.839 324 V HA -0.211 3.991 4.120 0.136 0.000 0.296 324 V C 1.000 177.018 176.094 -0.126 0.000 1.239 324 V CA 0.018 62.239 62.300 -0.132 0.000 1.349 324 V CB 0.046 31.822 31.823 -0.080 0.000 0.852 324 V HN 0.740 nan 8.190 nan 0.000 0.504 325 C N 6.799 125.966 119.300 -0.222 0.000 2.629 325 C HA 0.412 4.954 4.460 0.136 0.000 0.410 325 C C 0.459 175.444 174.990 -0.008 0.000 1.339 325 C CA -0.443 58.509 59.018 -0.110 0.000 1.810 325 C CB -1.016 26.657 27.740 -0.113 0.000 2.549 325 C HN 1.098 nan 8.230 nan 0.000 0.589 326 D N 3.640 124.046 120.400 0.009 0.000 2.494 326 D HA 0.353 5.075 4.640 0.136 0.000 0.259 326 D C 0.850 177.168 176.300 0.030 0.000 1.109 326 D CA -0.744 53.268 54.000 0.021 0.000 1.040 326 D CB 0.527 41.334 40.800 0.012 0.000 1.175 326 D HN 0.226 nan 8.370 nan 0.000 0.584 327 V N -0.234 119.693 119.914 0.022 0.000 2.295 327 V HA -0.112 4.090 4.120 0.136 0.000 0.246 327 V C -0.907 175.198 176.094 0.018 0.000 1.049 327 V CA 1.788 64.099 62.300 0.018 0.000 1.024 327 V CB -1.705 30.123 31.823 0.010 0.000 0.648 327 V HN 0.565 nan 8.190 nan 0.000 0.447 328 P HA -0.142 nan 4.420 nan 0.000 0.216 328 P C 1.776 179.104 177.300 0.047 0.000 1.150 328 P CA 1.819 64.934 63.100 0.025 0.000 0.843 328 P CB -0.190 31.521 31.700 0.018 0.000 0.787 329 T N -1.055 113.530 114.554 0.051 0.000 2.812 329 T HA -0.053 4.379 4.350 0.136 0.000 0.264 329 T C 1.879 176.605 174.700 0.044 0.000 1.042 329 T CA 1.443 63.585 62.100 0.070 0.000 1.140 329 T CB -0.810 68.085 68.868 0.044 0.000 0.870 329 T HN 0.046 nan 8.240 nan 0.000 0.445 330 A N 1.589 124.421 122.820 0.021 0.000 2.014 330 A HA -0.020 4.381 4.320 0.136 0.000 0.218 330 A C 2.206 179.780 177.584 -0.016 0.000 1.163 330 A CA 1.076 53.107 52.037 -0.010 0.000 0.652 330 A CB -0.290 18.707 19.000 -0.005 0.000 0.808 330 A HN 0.388 nan 8.150 nan 0.000 0.449 331 K N -0.545 119.859 120.400 0.007 0.000 2.228 331 K HA 0.093 4.495 4.320 0.136 0.000 0.202 331 K C 1.540 178.157 176.600 0.027 0.000 1.051 331 K CA 1.023 57.314 56.287 0.007 0.000 0.960 331 K CB -0.170 32.336 32.500 0.011 0.000 0.743 331 K HN 0.549 nan 8.250 nan 0.000 0.458 332 I N 0.631 121.240 120.570 0.065 0.000 2.406 332 I HA -0.179 4.073 4.170 0.136 0.000 0.249 332 I C 2.123 178.320 176.117 0.133 0.000 1.122 332 I CA 0.915 62.283 61.300 0.113 0.000 1.431 332 I CB -0.089 38.022 38.000 0.185 0.000 1.087 332 I HN 0.037 nan 8.210 nan 0.000 0.424 333 I N -0.186 120.443 120.570 0.098 0.000 2.277 333 I HA -0.245 4.007 4.170 0.136 0.000 0.243 333 I C 2.763 178.839 176.117 -0.069 0.000 1.094 333 I CA 1.004 62.325 61.300 0.035 0.000 1.393 333 I CB -0.389 37.554 38.000 -0.096 0.000 1.078 333 I HN 0.165 nan 8.210 nan 0.000 0.417 334 S N 1.517 117.155 115.700 -0.103 0.000 2.399 334 S HA -0.270 4.282 4.470 0.136 0.000 0.235 334 S C 2.022 176.566 174.600 -0.093 0.000 1.063 334 S CA 2.119 60.238 58.200 -0.136 0.000 1.070 334 S CB -0.323 62.821 63.200 -0.093 0.000 0.904 334 S HN 0.516 nan 8.310 nan 0.000 0.456 335 R N -0.213 120.265 120.500 -0.037 0.000 2.317 335 R HA 0.270 4.692 4.340 0.136 0.000 0.208 335 R C -0.003 176.300 176.300 0.005 0.000 0.914 335 R CA -0.032 56.059 56.100 -0.015 0.000 1.060 335 R CB 0.059 30.361 30.300 0.003 0.000 1.015 335 R HN 0.291 nan 8.270 nan 0.000 0.498 336 E N 1.205 121.412 120.200 0.011 0.000 2.239 336 E HA 0.263 4.695 4.350 0.136 0.000 0.261 336 E C -0.655 175.945 176.600 0.001 0.000 1.016 336 E CA -1.077 55.350 56.400 0.045 0.000 0.882 336 E CB 2.201 31.965 29.700 0.107 0.000 1.190 336 E HN -0.125 nan 8.360 nan 0.000 0.415 337 V N 1.934 121.852 119.914 0.006 0.000 2.320 337 V HA 0.244 4.446 4.120 0.136 0.000 0.265 337 V C 0.120 176.134 176.094 -0.134 0.000 1.048 337 V CA -0.288 61.942 62.300 -0.116 0.000 0.865 337 V CB 0.049 31.713 31.823 -0.263 0.000 1.043 337 V HN 0.654 nan 8.190 nan 0.000 0.474 338 S N 1.918 117.588 115.700 -0.049 0.000 2.632 338 S HA 0.574 5.125 4.470 0.136 0.000 0.289 338 S C -0.170 174.506 174.600 0.127 0.000 1.115 338 S CA -0.820 57.402 58.200 0.038 0.000 0.889 338 S CB 2.585 65.853 63.200 0.114 0.000 1.116 338 S HN 0.485 nan 8.310 nan 0.000 0.486 339 D N 0.163 120.580 120.400 0.028 0.000 2.407 339 D HA 0.355 5.077 4.640 0.136 0.000 0.208 339 D C 0.678 176.695 176.300 -0.472 0.000 1.083 339 D CA 0.663 54.626 54.000 -0.062 0.000 0.844 339 D CB 0.981 41.776 40.800 -0.010 0.000 0.967 339 D HN 0.878 nan 8.370 nan 0.000 0.506 340 G N 0.633 108.903 108.800 -0.884 0.000 2.387 340 G HA2 0.449 4.491 3.960 0.136 0.000 0.294 340 G HA3 0.449 4.491 3.960 0.136 0.000 0.294 340 G C -2.019 171.822 174.900 -1.766 0.000 1.509 340 G CA -0.710 43.375 45.100 -1.692 0.000 0.806 340 G HN 0.052 nan 8.290 nan 0.000 0.546 341 I N 0.347 120.212 120.570 -1.174 0.000 2.722 341 I HA 0.814 5.066 4.170 0.136 0.000 0.295 341 I C -1.440 174.663 176.117 -0.023 0.000 1.161 341 I CA -1.390 59.630 61.300 -0.467 0.000 1.032 341 I CB 2.054 40.023 38.000 -0.052 0.000 1.244 341 I HN 0.645 nan 8.210 nan 0.000 0.421 342 I N 7.000 127.668 120.570 0.163 0.000 2.545 342 I HA 0.867 5.119 4.170 0.136 0.000 0.292 342 I C -1.067 175.059 176.117 0.015 0.000 1.040 342 I CA -0.148 61.243 61.300 0.152 0.000 1.068 342 I CB 1.621 39.722 38.000 0.168 0.000 1.251 342 I HN 0.755 nan 8.210 nan 0.000 0.424 343 A N 7.506 130.235 122.820 -0.151 0.000 2.602 343 A HA 0.732 5.133 4.320 0.136 0.000 0.290 343 A C -2.669 174.668 177.584 -0.411 0.000 1.114 343 A CA -0.921 50.934 52.037 -0.304 0.000 0.683 343 A CB 1.467 20.122 19.000 -0.574 0.000 1.281 343 A HN 0.497 nan 8.150 nan 0.000 0.416 344 P HA 0.247 nan 4.420 nan 0.000 0.249 344 P C 0.605 177.791 177.300 -0.190 0.000 1.229 344 P CA 1.305 64.268 63.100 -0.229 0.000 0.788 344 P CB 0.505 32.205 31.700 -0.000 0.000 1.072 345 G N -1.132 107.475 108.800 -0.322 0.000 2.325 345 G HA2 0.422 4.464 3.960 0.136 0.000 0.297 345 G HA3 0.422 4.464 3.960 0.136 0.000 0.297 345 G C -2.348 172.263 174.900 -0.481 0.000 1.448 345 G CA -0.674 44.287 45.100 -0.232 0.000 0.838 345 G HN -0.106 nan 8.290 nan 0.000 0.579 346 Y N -0.208 120.076 120.300 -0.028 0.000 2.553 346 Y HA 0.545 5.176 4.550 0.135 0.000 0.347 346 Y C 0.283 176.173 175.900 -0.017 0.000 1.019 346 Y CA -1.007 57.080 58.100 -0.022 0.000 1.032 346 Y CB 1.983 40.427 38.460 -0.027 0.000 1.284 346 Y HN 0.504 nan 8.280 nan 0.000 0.466 347 E N 0.801 121.082 120.200 0.136 0.000 2.289 347 E HA 0.243 4.675 4.350 0.136 0.000 0.278 347 E C 0.927 177.573 176.600 0.076 0.000 1.032 347 E CA 0.460 56.905 56.400 0.075 0.000 0.854 347 E CB 1.203 30.930 29.700 0.046 0.000 1.046 347 E HN 0.931 nan 8.360 nan 0.000 0.409 348 E N 3.474 123.702 120.200 0.047 0.000 2.197 348 E HA -0.338 4.094 4.350 0.136 0.000 0.205 348 E C 1.673 178.281 176.600 0.014 0.000 1.029 348 E CA 2.283 58.699 56.400 0.026 0.000 0.828 348 E CB -0.574 29.134 29.700 0.014 0.000 0.737 348 E HN 0.716 nan 8.360 nan 0.000 0.464 349 E N -1.044 119.166 120.200 0.016 0.000 2.112 349 E HA 0.131 4.563 4.350 0.136 0.000 0.190 349 E C 2.419 179.022 176.600 0.006 0.000 0.979 349 E CA 0.649 57.052 56.400 0.006 0.000 0.814 349 E CB -0.157 29.546 29.700 0.006 0.000 0.762 349 E HN 0.530 nan 8.360 nan 0.000 0.460 350 A N 1.254 124.092 122.820 0.030 0.000 1.898 350 A HA -0.151 4.250 4.320 0.136 0.000 0.216 350 A C 2.112 179.707 177.584 0.019 0.000 1.181 350 A CA 1.066 53.130 52.037 0.044 0.000 0.620 350 A CB -0.604 18.457 19.000 0.102 0.000 0.819 350 A HN 0.362 nan 8.150 nan 0.000 0.442 351 L N 0.010 121.236 121.223 0.005 0.000 2.042 351 L HA -0.137 4.284 4.340 0.136 0.000 0.210 351 L C 2.350 179.162 176.870 -0.095 0.000 1.076 351 L CA 2.882 57.652 54.840 -0.118 0.000 0.749 351 L CB -1.233 40.748 42.059 -0.131 0.000 0.893 351 L HN 0.364 nan 8.230 nan 0.000 0.432 352 T N 0.164 114.685 114.554 -0.055 0.000 2.674 352 T HA -0.171 4.261 4.350 0.136 0.000 0.265 352 T C 1.985 176.651 174.700 -0.056 0.000 1.039 352 T CA 2.139 64.209 62.100 -0.050 0.000 1.150 352 T CB -0.356 68.492 68.868 -0.033 0.000 0.864 352 T HN 0.367 nan 8.240 nan 0.000 0.427 353 I N 0.754 121.292 120.570 -0.053 0.000 2.208 353 I HA -0.151 4.101 4.170 0.136 0.000 0.245 353 I C 2.258 178.309 176.117 -0.110 0.000 1.097 353 I CA 1.273 62.533 61.300 -0.067 0.000 1.363 353 I CB -0.441 37.528 38.000 -0.052 0.000 1.051 353 I HN 0.212 nan 8.210 nan 0.000 0.413 354 L N -0.250 120.904 121.223 -0.115 0.000 2.072 354 L HA -0.125 4.297 4.340 0.136 0.000 0.205 354 L C 2.521 179.328 176.870 -0.106 0.000 1.079 354 L CA 0.992 55.728 54.840 -0.173 0.000 0.752 354 L CB -0.572 41.439 42.059 -0.079 0.000 0.906 354 L HN 0.130 nan 8.230 nan 0.000 0.436 355 S N -0.234 115.428 115.700 -0.064 0.000 2.500 355 S HA -0.119 4.433 4.470 0.136 0.000 0.239 355 S C 1.743 176.325 174.600 -0.030 0.000 0.989 355 S CA 1.024 59.204 58.200 -0.032 0.000 0.951 355 S CB -0.125 63.039 63.200 -0.060 0.000 0.759 355 S HN 0.392 nan 8.310 nan 0.000 0.523 356 K N 0.790 121.153 120.400 -0.060 0.000 2.323 356 K HA 0.134 4.536 4.320 0.136 0.000 0.197 356 K C 0.564 177.126 176.600 -0.063 0.000 1.043 356 K CA 0.225 56.479 56.287 -0.055 0.000 0.997 356 K CB 0.212 32.677 32.500 -0.059 0.000 0.807 356 K HN 0.250 nan 8.250 nan 0.000 0.497 357 K N 1.526 121.856 120.400 -0.118 0.000 2.339 357 K HA -0.038 4.364 4.320 0.136 0.000 0.260 357 K C -0.147 176.442 176.600 -0.019 0.000 0.989 357 K CA 0.395 56.592 56.287 -0.149 0.000 0.888 357 K CB 0.171 32.401 32.500 -0.451 0.000 0.983 357 K HN -0.048 nan 8.250 nan 0.000 0.515 358 K N 2.394 122.791 120.400 -0.006 0.000 3.491 358 K HA -0.337 4.065 4.320 0.136 0.000 0.271 358 K C -0.799 175.816 176.600 0.025 0.000 0.852 358 K CA 0.689 56.995 56.287 0.032 0.000 0.651 358 K CB -1.603 30.948 32.500 0.086 0.000 1.568 358 K HN 0.703 nan 8.250 nan 0.000 0.452 359 N N -1.292 117.411 118.700 0.005 0.000 2.740 359 N HA -0.226 4.596 4.740 0.136 0.000 0.248 359 N C 0.710 176.222 175.510 0.004 0.000 1.062 359 N CA 1.252 54.303 53.050 0.003 0.000 0.704 359 N CB -1.253 37.239 38.487 0.007 0.000 0.968 359 N HN 0.892 nan 8.380 nan 0.000 0.547 360 G N -0.552 108.251 108.800 0.004 0.000 2.155 360 G HA2 -0.345 3.697 3.960 0.136 0.000 0.257 360 G HA3 -0.345 3.697 3.960 0.136 0.000 0.257 360 G C 0.792 175.700 174.900 0.012 0.000 0.983 360 G CA 0.621 45.722 45.100 0.003 0.000 0.676 360 G HN 0.536 nan 8.290 nan 0.000 0.528 361 N N -1.006 117.712 118.700 0.030 0.000 2.322 361 N HA 0.076 4.898 4.740 0.136 0.000 0.181 361 N C 0.727 176.258 175.510 0.034 0.000 1.088 361 N CA -0.175 52.888 53.050 0.021 0.000 0.885 361 N CB 0.176 38.672 38.487 0.014 0.000 1.013 361 N HN 0.505 nan 8.380 nan 0.000 0.472 362 Y N 2.235 122.491 120.300 -0.073 0.000 2.944 362 Y HA -0.173 4.460 4.550 0.138 0.000 0.340 362 Y C 0.551 176.389 175.900 -0.105 0.000 1.275 362 Y CA -0.277 57.765 58.100 -0.097 0.000 1.590 362 Y CB 0.213 38.605 38.460 -0.113 0.000 1.218 362 Y HN 0.051 nan 8.280 nan 0.000 0.576 363 C N 7.680 126.622 119.300 -0.597 0.000 2.566 363 C HA 0.545 5.086 4.460 0.136 0.000 0.393 363 C C -0.522 174.155 174.990 -0.522 0.000 1.309 363 C CA -0.606 58.160 59.018 -0.420 0.000 1.801 363 C CB -1.764 25.839 27.740 -0.229 0.000 2.493 363 C HN 0.616 nan 8.230 nan 0.000 0.575 364 V N 8.727 128.482 119.914 -0.265 0.000 2.380 364 V HA 0.381 4.583 4.120 0.136 0.000 0.286 364 V C -0.191 175.833 176.094 -0.116 0.000 1.015 364 V CA -0.237 61.934 62.300 -0.215 0.000 0.834 364 V CB 1.205 32.850 31.823 -0.297 0.000 1.009 364 V HN 0.747 nan 8.190 nan 0.000 0.428 365 L N 4.270 125.497 121.223 0.008 0.000 2.317 365 L HA 0.630 5.052 4.340 0.136 0.000 0.281 365 L C -0.094 176.816 176.870 0.067 0.000 1.024 365 L CA -0.393 54.453 54.840 0.010 0.000 0.810 365 L CB 1.816 43.879 42.059 0.007 0.000 1.240 365 L HN 0.609 nan 8.230 nan 0.000 0.427 366 Q N 2.882 122.686 119.800 0.007 0.000 2.293 366 Q HA 0.530 4.952 4.340 0.136 0.000 0.261 366 Q C -1.071 174.806 176.000 -0.204 0.000 0.960 366 Q CA -0.833 54.969 55.803 -0.002 0.000 0.882 366 Q CB 1.927 30.698 28.738 0.055 0.000 1.275 366 Q HN 0.526 nan 8.270 nan 0.000 0.445 367 M N 3.524 122.889 119.600 -0.391 0.000 2.294 367 M HA 0.309 4.871 4.480 0.136 0.000 0.335 367 M C -1.430 174.607 176.300 -0.439 0.000 1.079 367 M CA -0.626 54.308 55.300 -0.610 0.000 0.982 367 M CB 1.594 33.386 32.600 -1.347 0.000 1.651 367 M HN 0.554 nan 8.290 nan 0.000 0.437 368 D N 2.575 122.819 120.400 -0.261 0.000 2.312 368 D HA 0.154 4.876 4.640 0.136 0.000 0.252 368 D C 0.531 176.885 176.300 0.092 0.000 1.150 368 D CA 0.203 54.162 54.000 -0.068 0.000 0.870 368 D CB 1.041 41.829 40.800 -0.020 0.000 1.153 368 D HN 0.763 nan 8.370 nan 0.000 0.457 369 Q N 1.777 121.674 119.800 0.163 0.000 2.212 369 Q HA -0.067 4.355 4.340 0.136 0.000 0.199 369 Q C 1.619 177.753 176.000 0.224 0.000 0.950 369 Q CA 0.695 56.691 55.803 0.322 0.000 0.863 369 Q CB -0.267 28.648 28.738 0.295 0.000 0.944 369 Q HN 0.472 nan 8.270 nan 0.000 0.465 370 S N 0.011 115.801 115.700 0.150 0.000 2.537 370 S HA -0.164 4.388 4.470 0.136 0.000 0.240 370 S C 0.392 175.065 174.600 0.122 0.000 0.981 370 S CA -0.066 58.197 58.200 0.106 0.000 0.948 370 S CB -0.600 62.647 63.200 0.077 0.000 0.759 370 S HN 0.448 nan 8.310 nan 0.000 0.531 371 Y N 3.070 123.415 120.300 0.076 0.000 2.465 371 Y HA 0.431 5.065 4.550 0.139 0.000 0.331 371 Y C -0.006 175.941 175.900 0.079 0.000 1.102 371 Y CA -0.435 57.706 58.100 0.068 0.000 1.358 371 Y CB 0.328 38.824 38.460 0.060 0.000 1.213 371 Y HN 0.085 nan 8.280 nan 0.000 0.525 372 K N 8.336 128.254 120.400 -0.804 0.000 2.443 372 K HA 0.383 4.784 4.320 0.136 0.000 0.252 372 K C -2.566 173.541 176.600 -0.822 0.000 0.933 372 K CA -1.943 53.965 56.287 -0.632 0.000 0.792 372 K CB 1.697 34.035 32.500 -0.271 0.000 1.185 372 K HN 0.486 nan 8.250 nan 0.000 0.425 373 P HA 0.087 nan 4.420 nan 0.000 0.274 373 P C -0.898 176.327 177.300 -0.125 0.000 1.256 373 P CA -0.284 62.660 63.100 -0.261 0.000 0.795 373 P CB 0.660 32.322 31.700 -0.064 0.000 1.038 374 D N -0.006 120.370 120.400 -0.040 0.000 2.304 374 D HA 0.150 4.872 4.640 0.136 0.000 0.247 374 D C 1.553 177.846 176.300 -0.013 0.000 1.089 374 D CA -0.085 53.902 54.000 -0.022 0.000 0.910 374 D CB 0.803 41.605 40.800 0.003 0.000 1.199 374 D HN 0.562 nan 8.370 nan 0.000 0.426 375 E N 2.263 122.455 120.200 -0.013 0.000 2.077 375 E HA -0.185 4.247 4.350 0.136 0.000 0.193 375 E C 0.651 177.255 176.600 0.007 0.000 0.989 375 E CA 0.989 57.386 56.400 -0.005 0.000 0.800 375 E CB -0.790 28.905 29.700 -0.009 0.000 0.746 375 E HN 0.511 nan 8.360 nan 0.000 0.452 376 N N 1.104 119.808 118.700 0.007 0.000 2.492 376 N HA 0.367 5.189 4.740 0.136 0.000 0.262 376 N C -0.352 175.170 175.510 0.019 0.000 1.202 376 N CA 0.570 53.627 53.050 0.012 0.000 0.926 376 N CB 0.866 39.357 38.487 0.007 0.000 1.078 376 N HN 0.706 nan 8.380 nan 0.000 0.454 377 E N -0.511 119.704 120.200 0.026 0.000 2.304 377 E HA 0.571 5.003 4.350 0.136 0.000 0.277 377 E C -1.710 174.914 176.600 0.040 0.000 0.898 377 E CA -0.981 55.438 56.400 0.032 0.000 0.764 377 E CB 1.410 31.137 29.700 0.044 0.000 1.216 377 E HN 0.232 nan 8.360 nan 0.000 0.419 378 V N 2.631 122.570 119.914 0.040 0.000 2.960 378 V HA 0.784 4.986 4.120 0.136 0.000 0.315 378 V C -1.214 174.929 176.094 0.082 0.000 1.087 378 V CA -0.627 61.710 62.300 0.061 0.000 0.982 378 V CB 1.832 33.683 31.823 0.047 0.000 1.039 378 V HN 0.889 nan 8.190 nan 0.000 0.437 379 R N 1.882 122.451 120.500 0.115 0.000 2.740 379 R HA 0.652 5.074 4.340 0.136 0.000 0.273 379 R C -1.474 174.923 176.300 0.162 0.000 0.998 379 R CA -0.675 55.500 56.100 0.125 0.000 0.900 379 R CB 1.829 32.187 30.300 0.097 0.000 1.223 379 R HN 0.516 nan 8.270 nan 0.000 0.466 380 T N 2.422 117.069 114.554 0.154 0.000 2.829 380 T HA 0.466 4.898 4.350 0.136 0.000 0.282 380 T C -1.030 173.706 174.700 0.061 0.000 0.990 380 T CA -0.546 61.619 62.100 0.109 0.000 1.028 380 T CB 0.981 69.927 68.868 0.130 0.000 0.951 380 T HN 0.424 nan 8.240 nan 0.000 0.460 381 L N 4.816 126.052 121.223 0.022 0.000 2.446 381 L HA 0.529 4.950 4.340 0.136 0.000 0.268 381 L C -0.425 176.524 176.870 0.130 0.000 0.975 381 L CA -0.583 54.296 54.840 0.065 0.000 0.848 381 L CB 0.653 42.744 42.059 0.053 0.000 1.225 381 L HN 0.708 nan 8.230 nan 0.000 0.410 382 F N 5.683 125.603 119.950 -0.051 0.000 3.027 382 F HA -0.141 4.469 4.527 0.137 0.000 0.276 382 F C 1.339 177.095 175.800 -0.074 0.000 0.967 382 F CA 1.395 59.365 58.000 -0.051 0.000 0.929 382 F CB -0.975 37.999 39.000 -0.043 0.000 0.873 382 F HN 1.021 nan 8.300 nan 0.000 0.787 383 G N 0.520 109.232 108.800 -0.146 0.000 2.196 383 G HA2 -0.323 3.719 3.960 0.136 0.000 0.268 383 G HA3 -0.323 3.719 3.960 0.136 0.000 0.268 383 G C 0.381 175.072 174.900 -0.347 0.000 0.975 383 G CA 0.424 45.376 45.100 -0.248 0.000 0.648 383 G HN 0.747 nan 8.290 nan 0.000 0.538 384 L N 0.183 121.229 121.223 -0.294 0.000 2.358 384 L HA 0.637 5.059 4.340 0.136 0.000 0.268 384 L C 0.267 176.859 176.870 -0.464 0.000 1.032 384 L CA -1.298 53.342 54.840 -0.333 0.000 0.805 384 L CB 1.293 43.296 42.059 -0.094 0.000 1.253 384 L HN 0.097 nan 8.230 nan 0.000 0.452 385 H N 2.393 121.483 119.070 0.034 0.000 2.489 385 H HA 0.487 5.126 4.556 0.138 0.000 0.343 385 H C -0.924 174.426 175.328 0.036 0.000 1.086 385 H CA -0.523 55.547 56.048 0.037 0.000 1.198 385 H CB 2.157 31.939 29.762 0.033 0.000 1.490 385 H HN 0.297 nan 8.280 nan 0.000 0.504 386 L N 2.264 123.574 121.223 0.145 0.000 2.316 386 L HA 0.260 4.682 4.340 0.136 0.000 0.280 386 L C 0.287 177.212 176.870 0.091 0.000 1.006 386 L CA -0.430 54.467 54.840 0.095 0.000 0.836 386 L CB 1.720 43.820 42.059 0.068 0.000 1.221 386 L HN 0.421 nan 8.230 nan 0.000 0.418 387 S N 3.759 119.503 115.700 0.074 0.000 2.549 387 S HA 0.783 5.335 4.470 0.136 0.000 0.297 387 S C -0.796 173.831 174.600 0.046 0.000 1.115 387 S CA -0.370 57.864 58.200 0.056 0.000 1.059 387 S CB 1.474 64.701 63.200 0.045 0.000 1.046 387 S HN 0.711 nan 8.310 nan 0.000 0.506 388 Q N 0.193 120.017 119.800 0.041 0.000 2.738 388 Q HA 0.640 5.062 4.340 0.136 0.000 0.301 388 Q C -1.230 174.788 176.000 0.031 0.000 0.901 388 Q CA -1.281 54.543 55.803 0.036 0.000 0.756 388 Q CB 0.392 29.157 28.738 0.044 0.000 1.463 388 Q HN 0.658 nan 8.270 nan 0.000 0.432 389 K N 0.956 121.371 120.400 0.026 0.000 2.098 389 K HA 0.542 4.943 4.320 0.136 0.000 0.257 389 K C -0.105 176.512 176.600 0.029 0.000 0.999 389 K CA -0.086 56.213 56.287 0.020 0.000 0.924 389 K CB 0.542 33.049 32.500 0.010 0.000 1.028 389 K HN 0.767 nan 8.250 nan 0.000 0.466 390 R N 0.121 120.638 120.500 0.028 0.000 2.577 390 R HA 0.225 4.647 4.340 0.136 0.000 0.269 390 R C -0.252 176.066 176.300 0.031 0.000 1.084 390 R CA -0.555 55.570 56.100 0.042 0.000 1.163 390 R CB 0.448 30.777 30.300 0.048 0.000 1.100 390 R HN 0.624 nan 8.270 nan 0.000 0.547 391 N N 1.209 119.932 118.700 0.039 0.000 2.739 391 N HA 0.013 4.835 4.740 0.136 0.000 0.266 391 N C -0.949 174.555 175.510 -0.012 0.000 1.168 391 N CA -0.174 52.879 53.050 0.004 0.000 1.055 391 N CB -0.046 38.435 38.487 -0.009 0.000 1.393 391 N HN 0.488 nan 8.380 nan 0.000 0.514 392 N N 1.198 119.890 118.700 -0.013 0.000 2.389 392 N HA 0.109 4.931 4.740 0.136 0.000 0.237 392 N C 0.198 175.687 175.510 -0.036 0.000 1.148 392 N CA -0.066 52.973 53.050 -0.017 0.000 0.854 392 N CB 0.297 38.774 38.487 -0.017 0.000 1.115 392 N HN 0.482 nan 8.380 nan 0.000 0.492 393 G N 0.232 108.999 108.800 -0.055 0.000 2.340 393 G HA2 0.221 4.263 3.960 0.136 0.000 0.245 393 G HA3 0.221 4.263 3.960 0.136 0.000 0.245 393 G C 0.319 175.179 174.900 -0.068 0.000 1.294 393 G CA -0.144 44.913 45.100 -0.073 0.000 0.896 393 G HN 0.013 nan 8.290 nan 0.000 0.522 394 V N 2.489 122.364 119.914 -0.066 0.000 2.607 394 V HA 0.277 4.479 4.120 0.136 0.000 0.289 394 V C 0.257 176.312 176.094 -0.065 0.000 1.053 394 V CA -0.497 61.771 62.300 -0.053 0.000 0.996 394 V CB 1.650 33.445 31.823 -0.046 0.000 0.995 394 V HN 0.471 nan 8.190 nan 0.000 0.476 395 V N 4.844 124.740 119.914 -0.029 0.000 2.325 395 V HA 0.498 4.700 4.120 0.136 0.000 0.280 395 V C -0.673 175.456 176.094 0.059 0.000 1.016 395 V CA -0.512 61.787 62.300 -0.002 0.000 0.818 395 V CB 1.035 32.881 31.823 0.039 0.000 1.019 395 V HN 1.137 nan 8.190 nan 0.000 0.434 396 D N 3.161 123.601 120.400 0.067 0.000 2.652 396 D HA 0.574 5.296 4.640 0.136 0.000 0.285 396 D C 1.050 177.475 176.300 0.209 0.000 1.173 396 D CA -0.145 53.918 54.000 0.105 0.000 0.981 396 D CB 1.425 42.247 40.800 0.037 0.000 1.440 396 D HN 0.167 nan 8.370 nan 0.000 0.485 397 K N 0.073 120.572 120.400 0.164 0.000 2.044 397 K HA -0.203 4.199 4.320 0.136 0.000 0.210 397 K C 2.027 178.754 176.600 0.212 0.000 1.049 397 K CA 2.618 59.025 56.287 0.200 0.000 0.927 397 K CB -1.551 30.995 32.500 0.077 0.000 0.713 397 K HN 0.504 nan 8.250 nan 0.000 0.443 398 S N 0.228 115.980 115.700 0.087 0.000 2.423 398 S HA -0.165 4.386 4.470 0.136 0.000 0.238 398 S C 1.974 176.555 174.600 -0.032 0.000 1.028 398 S CA 1.686 59.902 58.200 0.026 0.000 1.000 398 S CB -0.398 62.800 63.200 -0.003 0.000 0.797 398 S HN 0.574 nan 8.310 nan 0.000 0.487 399 L N -0.232 120.920 121.223 -0.119 0.000 2.376 399 L HA 0.325 4.746 4.340 0.136 0.000 0.219 399 L C 0.537 177.081 176.870 -0.544 0.000 1.133 399 L CA 1.362 55.968 54.840 -0.389 0.000 0.816 399 L CB -0.240 41.445 42.059 -0.623 0.000 0.933 399 L HN 0.376 nan 8.230 nan 0.000 0.449 400 F N -1.534 118.402 119.950 -0.023 0.000 2.772 400 F HA 0.235 4.844 4.527 0.136 0.000 0.302 400 F C 1.926 177.716 175.800 -0.017 0.000 1.136 400 F CA 0.232 58.221 58.000 -0.019 0.000 1.322 400 F CB -0.513 38.470 39.000 -0.028 0.000 0.967 400 F HN 0.092 nan 8.300 nan 0.000 0.513 401 S N -1.420 114.330 115.700 0.084 0.000 2.496 401 S HA -0.061 4.491 4.470 0.136 0.000 0.224 401 S C 1.049 175.672 174.600 0.038 0.000 0.996 401 S CA 0.232 58.466 58.200 0.056 0.000 0.927 401 S CB -0.363 62.852 63.200 0.024 0.000 0.774 401 S HN 0.323 nan 8.310 nan 0.000 0.524 402 N N 2.128 120.848 118.700 0.033 0.000 3.209 402 N HA 0.251 5.073 4.740 0.136 0.000 0.309 402 N C -0.743 174.788 175.510 0.034 0.000 1.384 402 N CA -0.224 52.843 53.050 0.029 0.000 1.173 402 N CB 0.062 38.564 38.487 0.026 0.000 1.460 402 N HN 0.130 nan 8.380 nan 0.000 0.534 403 V N 1.097 121.030 119.914 0.033 0.000 2.763 403 V HA -0.009 4.193 4.120 0.136 0.000 0.306 403 V C 1.413 177.496 176.094 -0.018 0.000 1.059 403 V CA 0.143 62.453 62.300 0.017 0.000 1.138 403 V CB 1.228 33.066 31.823 0.026 0.000 0.940 403 V HN 0.418 nan 8.190 nan 0.000 0.489 404 V N 0.578 120.453 119.914 -0.065 0.000 3.330 404 V HA 0.273 4.475 4.120 0.136 0.000 0.309 404 V C 0.551 176.599 176.094 -0.076 0.000 1.481 404 V CA 0.305 62.554 62.300 -0.084 0.000 1.068 404 V CB -0.053 31.673 31.823 -0.163 0.000 0.935 404 V HN 0.873 nan 8.190 nan 0.000 0.453 405 T N -2.495 112.024 114.554 -0.057 0.000 2.934 405 T HA 0.619 5.051 4.350 0.136 0.000 0.283 405 T C 0.877 175.562 174.700 -0.025 0.000 1.005 405 T CA 0.173 62.247 62.100 -0.043 0.000 1.041 405 T CB 1.545 70.392 68.868 -0.036 0.000 1.042 405 T HN 0.536 nan 8.240 nan 0.000 0.505 406 K N 0.610 120.998 120.400 -0.021 0.000 2.773 406 K HA 0.049 4.451 4.320 0.136 0.000 0.222 406 K C 0.554 177.148 176.600 -0.010 0.000 0.985 406 K CA 0.186 56.464 56.287 -0.014 0.000 1.126 406 K CB -1.181 31.310 32.500 -0.014 0.000 0.919 406 K HN 0.698 nan 8.250 nan 0.000 0.487 407 N N 0.278 118.973 118.700 -0.007 0.000 2.594 407 N HA 0.178 5.000 4.740 0.136 0.000 0.280 407 N C -0.506 175.010 175.510 0.011 0.000 1.156 407 N CA -0.382 52.669 53.050 0.002 0.000 0.831 407 N CB 1.216 39.704 38.487 0.002 0.000 1.379 407 N HN 0.253 nan 8.380 nan 0.000 0.536 408 K N 0.488 120.894 120.400 0.010 0.000 2.374 408 K HA 0.157 4.559 4.320 0.136 0.000 0.196 408 K C -0.601 176.009 176.600 0.018 0.000 1.023 408 K CA -0.156 56.140 56.287 0.014 0.000 1.103 408 K CB 0.688 33.193 32.500 0.008 0.000 0.848 408 K HN 0.374 nan 8.250 nan 0.000 0.528 409 D N 2.369 122.782 120.400 0.021 0.000 2.385 409 D HA -0.009 4.713 4.640 0.136 0.000 0.260 409 D C -0.674 175.640 176.300 0.024 0.000 1.326 409 D CA 0.277 54.288 54.000 0.017 0.000 1.023 409 D CB 0.400 41.212 40.800 0.020 0.000 1.083 409 D HN -0.026 nan 8.370 nan 0.000 0.517 410 L N 4.794 126.009 121.223 -0.013 0.000 2.264 410 L HA 0.348 4.770 4.340 0.136 0.000 0.287 410 L C -2.224 174.555 176.870 -0.152 0.000 1.039 410 L CA -1.589 53.204 54.840 -0.080 0.000 0.829 410 L CB 0.931 42.940 42.059 -0.084 0.000 1.211 410 L HN 0.025 nan 8.230 nan 0.000 0.427 411 P HA 0.140 nan 4.420 nan 0.000 0.271 411 P C 0.561 177.728 177.300 -0.221 0.000 1.228 411 P CA 0.543 63.526 63.100 -0.194 0.000 0.797 411 P CB 0.556 32.124 31.700 -0.220 0.000 0.914 412 E N -0.201 119.906 120.200 -0.154 0.000 2.371 412 E HA -0.081 4.351 4.350 0.136 0.000 0.194 412 E C 1.753 178.256 176.600 -0.161 0.000 1.012 412 E CA 1.171 57.487 56.400 -0.140 0.000 0.860 412 E CB -0.933 28.715 29.700 -0.087 0.000 0.811 412 E HN 0.547 nan 8.360 nan 0.000 0.502 413 S N -0.419 115.176 115.700 -0.175 0.000 2.388 413 S HA 0.325 4.877 4.470 0.136 0.000 0.223 413 S C 2.561 177.015 174.600 -0.243 0.000 1.034 413 S CA 0.919 59.025 58.200 -0.157 0.000 0.963 413 S CB 0.001 63.139 63.200 -0.103 0.000 0.827 413 S HN 0.763 nan 8.310 nan 0.000 0.481 414 A N 2.097 124.661 122.820 -0.427 0.000 1.877 414 A HA 0.077 4.479 4.320 0.136 0.000 0.216 414 A C 2.204 179.501 177.584 -0.479 0.000 1.186 414 A CA 1.557 53.203 52.037 -0.652 0.000 0.620 414 A CB -1.022 17.014 19.000 -1.607 0.000 0.822 414 A HN 0.479 nan 8.150 nan 0.000 0.443 415 L N -0.169 120.789 121.223 -0.442 0.000 2.127 415 L HA -0.157 4.265 4.340 0.136 0.000 0.211 415 L C 2.396 179.037 176.870 -0.381 0.000 1.089 415 L CA 2.166 56.737 54.840 -0.447 0.000 0.757 415 L CB -0.566 41.305 42.059 -0.313 0.000 0.899 415 L HN 0.485 nan 8.230 nan 0.000 0.434 416 R N -0.642 119.704 120.500 -0.256 0.000 2.064 416 R HA -0.140 4.281 4.340 0.136 0.000 0.228 416 R C 1.959 178.154 176.300 -0.173 0.000 1.144 416 R CA 1.725 57.722 56.100 -0.173 0.000 0.932 416 R CB -0.403 29.828 30.300 -0.114 0.000 0.833 416 R HN 0.365 nan 8.270 nan 0.000 0.429 417 D N 0.999 121.302 120.400 -0.162 0.000 2.170 417 D HA -0.239 4.483 4.640 0.136 0.000 0.193 417 D C 1.994 178.208 176.300 -0.144 0.000 1.004 417 D CA 1.331 55.257 54.000 -0.123 0.000 0.860 417 D CB -0.282 40.462 40.800 -0.094 0.000 0.931 417 D HN 0.319 nan 8.370 nan 0.000 0.448 418 L N 0.363 121.429 121.223 -0.263 0.000 2.131 418 L HA -0.146 4.276 4.340 0.136 0.000 0.210 418 L C 2.549 179.287 176.870 -0.220 0.000 1.092 418 L CA 0.631 55.276 54.840 -0.325 0.000 0.759 418 L CB -0.224 41.388 42.059 -0.745 0.000 0.903 418 L HN 0.054 nan 8.230 nan 0.000 0.435 419 I N -1.260 119.167 120.570 -0.239 0.000 2.277 419 I HA -0.210 4.042 4.170 0.136 0.000 0.243 419 I C 2.385 178.527 176.117 0.042 0.000 1.094 419 I CA 0.693 61.998 61.300 0.008 0.000 1.393 419 I CB -0.058 37.932 38.000 -0.017 0.000 1.078 419 I HN -0.026 nan 8.210 nan 0.000 0.417 420 V N 1.112 121.022 119.914 -0.008 0.000 2.343 420 V HA -0.289 3.913 4.120 0.136 0.000 0.247 420 V C 2.660 178.775 176.094 0.035 0.000 1.051 420 V CA 2.050 64.360 62.300 0.016 0.000 1.036 420 V CB -1.067 30.753 31.823 -0.005 0.000 0.654 420 V HN 0.489 nan 8.190 nan 0.000 0.451 421 A N -0.550 122.282 122.820 0.020 0.000 1.969 421 A HA -0.163 4.239 4.320 0.136 0.000 0.218 421 A C 2.358 179.980 177.584 0.062 0.000 1.169 421 A CA 2.200 54.258 52.037 0.037 0.000 0.635 421 A CB -0.697 18.313 19.000 0.016 0.000 0.810 421 A HN 0.506 nan 8.150 nan 0.000 0.445 422 T N -0.061 114.551 114.554 0.095 0.000 2.896 422 T HA 0.070 4.502 4.350 0.136 0.000 0.263 422 T C 1.724 176.458 174.700 0.057 0.000 1.050 422 T CA 1.082 63.241 62.100 0.099 0.000 1.140 422 T CB -0.264 68.727 68.868 0.205 0.000 0.877 422 T HN 0.411 nan 8.240 nan 0.000 0.457 423 I N 1.357 121.977 120.570 0.084 0.000 2.394 423 I HA -0.098 4.154 4.170 0.136 0.000 0.251 423 I C 2.817 179.023 176.117 0.148 0.000 1.136 423 I CA 0.733 62.094 61.300 0.102 0.000 1.425 423 I CB -0.353 37.719 38.000 0.119 0.000 1.079 423 I HN 0.187 nan 8.210 nan 0.000 0.425 424 A N 0.203 123.096 122.820 0.122 0.000 1.898 424 A HA -0.158 4.244 4.320 0.136 0.000 0.216 424 A C 2.480 180.122 177.584 0.097 0.000 1.181 424 A CA 1.518 53.639 52.037 0.140 0.000 0.620 424 A CB -0.953 18.105 19.000 0.097 0.000 0.819 424 A HN 0.252 nan 8.150 nan 0.000 0.442 425 V N 0.237 120.177 119.914 0.044 0.000 2.490 425 V HA -0.225 3.976 4.120 0.136 0.000 0.250 425 V C 2.398 178.455 176.094 -0.062 0.000 1.061 425 V CA 2.605 64.911 62.300 0.010 0.000 1.064 425 V CB -0.523 31.302 31.823 0.003 0.000 0.670 425 V HN 0.679 nan 8.190 nan 0.000 0.461 426 K N -0.850 119.457 120.400 -0.154 0.000 2.152 426 K HA -0.176 4.225 4.320 0.136 0.000 0.206 426 K C 0.787 176.951 176.600 -0.728 0.000 1.048 426 K CA 1.824 57.856 56.287 -0.425 0.000 0.933 426 K CB -0.147 32.012 32.500 -0.569 0.000 0.721 426 K HN 0.626 nan 8.250 nan 0.000 0.447 427 Y N 0.377 120.600 120.300 -0.129 0.000 2.774 427 Y HA 0.234 4.866 4.550 0.136 0.000 0.305 427 Y C -0.541 175.386 175.900 0.045 0.000 1.067 427 Y CA -0.319 57.672 58.100 -0.182 0.000 1.304 427 Y CB 0.891 39.373 38.460 0.037 0.000 1.209 427 Y HN -0.201 nan 8.280 nan 0.000 0.543 428 T N 0.893 115.513 114.554 0.110 0.000 2.841 428 T HA 0.261 4.693 4.350 0.136 0.000 0.283 428 T C -0.365 174.436 174.700 0.170 0.000 1.000 428 T CA -0.969 61.213 62.100 0.137 0.000 0.977 428 T CB 1.463 70.369 68.868 0.063 0.000 0.979 428 T HN -0.058 nan 8.240 nan 0.000 0.446 429 Q N 1.874 121.766 119.800 0.152 0.000 2.315 429 Q HA 0.201 4.623 4.340 0.136 0.000 0.289 429 Q C 0.188 176.140 176.000 -0.081 0.000 1.044 429 Q CA 0.242 56.057 55.803 0.021 0.000 0.920 429 Q CB 0.363 29.140 28.738 0.065 0.000 1.214 429 Q HN 0.642 nan 8.270 nan 0.000 0.392 430 S N 2.393 117.875 115.700 -0.365 0.000 2.601 430 S HA 0.270 4.822 4.470 0.136 0.000 0.271 430 S C 0.386 174.933 174.600 -0.089 0.000 1.305 430 S CA -0.831 57.212 58.200 -0.261 0.000 1.022 430 S CB 0.636 63.523 63.200 -0.523 0.000 0.940 430 S HN 0.433 nan 8.310 nan 0.000 0.525 431 N N 1.748 120.447 118.700 -0.001 0.000 2.503 431 N HA 0.367 5.189 4.740 0.136 0.000 0.267 431 N C -0.390 175.168 175.510 0.080 0.000 1.214 431 N CA -0.029 53.060 53.050 0.065 0.000 0.959 431 N CB 1.127 39.677 38.487 0.105 0.000 1.142 431 N HN 0.727 nan 8.380 nan 0.000 0.455 432 S N -0.892 114.869 115.700 0.101 0.000 2.541 432 S HA 0.695 5.247 4.470 0.136 0.000 0.271 432 S C -0.877 173.782 174.600 0.098 0.000 1.133 432 S CA -0.797 57.458 58.200 0.091 0.000 0.876 432 S CB 1.566 64.809 63.200 0.070 0.000 1.105 432 S HN 0.199 nan 8.310 nan 0.000 0.470 433 V N 0.629 120.620 119.914 0.128 0.000 2.841 433 V HA 0.747 4.949 4.120 0.136 0.000 0.310 433 V C -0.793 175.418 176.094 0.195 0.000 1.090 433 V CA -0.695 61.706 62.300 0.167 0.000 0.930 433 V CB 1.719 33.697 31.823 0.259 0.000 1.014 433 V HN 1.269 nan 8.190 nan 0.000 0.425 434 C N 4.586 123.996 119.300 0.182 0.000 2.535 434 C HA 0.769 5.311 4.460 0.136 0.000 0.319 434 C C -1.459 173.650 174.990 0.198 0.000 1.171 434 C CA -0.531 58.604 59.018 0.196 0.000 1.394 434 C CB 0.859 28.660 27.740 0.101 0.000 1.990 434 C HN 0.777 nan 8.230 nan 0.000 0.466 435 Y N 3.656 123.953 120.300 -0.006 0.000 2.331 435 Y HA 0.655 5.286 4.550 0.136 0.000 0.338 435 Y C 0.617 176.466 175.900 -0.085 0.000 0.992 435 Y CA -0.102 57.978 58.100 -0.032 0.000 1.121 435 Y CB 1.520 39.956 38.460 -0.040 0.000 1.184 435 Y HN 0.966 nan 8.280 nan 0.000 0.469 436 A N 4.003 126.826 122.820 0.006 0.000 2.423 436 A HA 0.915 5.317 4.320 0.136 0.000 0.304 436 A C -1.115 176.424 177.584 -0.076 0.000 1.104 436 A CA -0.885 51.118 52.037 -0.057 0.000 0.757 436 A CB 2.019 20.993 19.000 -0.044 0.000 1.313 436 A HN 0.671 nan 8.150 nan 0.000 0.423 437 K N 1.174 121.507 120.400 -0.111 0.000 2.583 437 K HA 0.294 4.695 4.320 0.136 0.000 0.260 437 K C -1.088 175.488 176.600 -0.041 0.000 0.931 437 K CA -0.571 55.673 56.287 -0.071 0.000 0.849 437 K CB 0.818 33.268 32.500 -0.084 0.000 1.347 437 K HN 0.720 nan 8.250 nan 0.000 0.425 438 N N 2.234 120.937 118.700 0.006 0.000 2.714 438 N HA -0.192 4.630 4.740 0.136 0.000 0.253 438 N C 0.356 175.884 175.510 0.031 0.000 1.024 438 N CA 1.764 54.838 53.050 0.041 0.000 0.726 438 N CB -1.190 37.364 38.487 0.110 0.000 0.908 438 N HN 1.111 nan 8.380 nan 0.000 0.542 439 G N -0.620 108.180 108.800 -0.001 0.000 2.168 439 G HA2 -0.327 3.715 3.960 0.136 0.000 0.257 439 G HA3 -0.327 3.715 3.960 0.136 0.000 0.257 439 G C -0.059 174.844 174.900 0.004 0.000 0.997 439 G CA 1.277 46.378 45.100 0.002 0.000 0.708 439 G HN 0.963 nan 8.290 nan 0.000 0.520 440 Q N -1.883 117.903 119.800 -0.024 0.000 2.511 440 Q HA 0.720 5.141 4.340 0.136 0.000 0.289 440 Q C -0.890 175.050 176.000 -0.099 0.000 1.021 440 Q CA -1.191 54.588 55.803 -0.040 0.000 0.785 440 Q CB 1.836 30.555 28.738 -0.031 0.000 1.472 440 Q HN 0.363 nan 8.270 nan 0.000 0.411 441 V N 2.998 122.862 119.914 -0.083 0.000 2.488 441 V HA 0.153 4.355 4.120 0.136 0.000 0.277 441 V C 0.810 176.764 176.094 -0.234 0.000 1.046 441 V CA 0.075 62.320 62.300 -0.092 0.000 0.986 441 V CB 0.579 32.391 31.823 -0.019 0.000 0.989 441 V HN 0.809 nan 8.190 nan 0.000 0.475 442 I N 1.911 122.298 120.570 -0.304 0.000 4.187 442 I HA 0.636 4.888 4.170 0.136 0.000 0.326 442 I C 0.859 176.865 176.117 -0.185 0.000 1.302 442 I CA 0.206 61.156 61.300 -0.583 0.000 1.196 442 I CB 0.712 38.147 38.000 -0.941 0.000 1.095 442 I HN 0.594 nan 8.210 nan 0.000 0.411 443 G N 2.106 110.874 108.800 -0.053 0.000 2.608 443 G HA2 0.611 4.653 3.960 0.136 0.000 0.285 443 G HA3 0.611 4.653 3.960 0.136 0.000 0.285 443 G C -1.916 173.014 174.900 0.049 0.000 1.407 443 G CA -0.287 44.796 45.100 -0.029 0.000 1.276 443 G HN 0.088 nan 8.290 nan 0.000 0.587 444 I N 2.110 122.706 120.570 0.043 0.000 2.498 444 I HA 0.796 5.048 4.170 0.136 0.000 0.290 444 I C 0.275 176.430 176.117 0.064 0.000 1.032 444 I CA -0.462 60.880 61.300 0.069 0.000 1.073 444 I CB 2.095 40.120 38.000 0.043 0.000 1.251 444 I HN 0.572 nan 8.210 nan 0.000 0.426 445 G N 5.795 114.647 108.800 0.086 0.000 2.470 445 G HA2 0.819 4.861 3.960 0.136 0.000 0.320 445 G HA3 0.819 4.861 3.960 0.136 0.000 0.320 445 G C -1.494 173.454 174.900 0.080 0.000 1.245 445 G CA -0.413 44.737 45.100 0.082 0.000 0.935 445 G HN 0.874 nan 8.290 nan 0.000 0.476 446 A N 0.772 123.634 122.820 0.070 0.000 2.498 446 A HA 0.830 5.232 4.320 0.136 0.000 0.298 446 A C 0.915 178.536 177.584 0.062 0.000 1.075 446 A CA 0.156 52.231 52.037 0.063 0.000 0.714 446 A CB 1.273 20.306 19.000 0.055 0.000 1.299 446 A HN 2.479 nan 8.150 nan 0.000 0.407 447 G N 0.408 109.242 108.800 0.057 0.000 2.269 447 G HA2 -0.214 3.828 3.960 0.136 0.000 0.277 447 G HA3 -0.214 3.828 3.960 0.136 0.000 0.277 447 G C 0.215 175.154 174.900 0.065 0.000 1.008 447 G CA 0.778 45.918 45.100 0.067 0.000 0.774 447 G HN 0.769 nan 8.290 nan 0.000 0.511 448 Q N -1.013 118.830 119.800 0.073 0.000 2.354 448 Q HA 0.379 4.801 4.340 0.136 0.000 0.244 448 Q C 1.386 177.439 176.000 0.088 0.000 0.969 448 Q CA -0.124 55.730 55.803 0.085 0.000 0.885 448 Q CB 0.708 29.519 28.738 0.121 0.000 1.241 448 Q HN 0.504 nan 8.270 nan 0.000 0.461 449 Q N -0.050 119.811 119.800 0.100 0.000 2.444 449 Q HA 0.050 4.472 4.340 0.136 0.000 0.206 449 Q C -0.269 175.806 176.000 0.124 0.000 0.948 449 Q CA 0.107 55.967 55.803 0.094 0.000 0.946 449 Q CB 0.555 29.345 28.738 0.086 0.000 1.027 449 Q HN 0.606 nan 8.270 nan 0.000 0.513 450 S N -2.634 113.164 115.700 0.164 0.000 2.547 450 S HA 0.494 5.046 4.470 0.136 0.000 0.270 450 S C -0.051 174.628 174.600 0.133 0.000 1.150 450 S CA -1.047 57.231 58.200 0.130 0.000 0.850 450 S CB 1.797 65.056 63.200 0.099 0.000 1.118 450 S HN -0.031 nan 8.310 nan 0.000 0.461 451 R N 0.908 121.476 120.500 0.112 0.000 2.103 451 R HA -0.045 4.376 4.340 0.136 0.000 0.234 451 R C 2.000 178.406 176.300 0.176 0.000 1.132 451 R CA 2.290 58.483 56.100 0.154 0.000 0.925 451 R CB -1.389 29.011 30.300 0.166 0.000 0.842 451 R HN 0.809 nan 8.270 nan 0.000 0.430 452 I N 0.606 121.251 120.570 0.125 0.000 2.315 452 I HA -0.277 3.975 4.170 0.136 0.000 0.251 452 I C 1.667 177.833 176.117 0.082 0.000 1.125 452 I CA 1.842 63.186 61.300 0.074 0.000 1.392 452 I CB -0.520 37.484 38.000 0.006 0.000 1.065 452 I HN 0.307 nan 8.210 nan 0.000 0.424 453 H N -1.431 117.703 119.070 0.108 0.000 2.495 453 H HA -0.027 4.611 4.556 0.136 0.000 0.287 453 H C 2.382 177.762 175.328 0.088 0.000 1.033 453 H CA 1.225 57.324 56.048 0.084 0.000 1.307 453 H CB -0.605 29.200 29.762 0.072 0.000 1.401 453 H HN 0.418 nan 8.280 nan 0.000 0.555 454 C N 0.281 119.717 119.300 0.228 0.000 2.492 454 C HA -0.048 4.493 4.460 0.136 0.000 0.279 454 C C 2.750 177.854 174.990 0.191 0.000 1.335 454 C CA 1.200 60.330 59.018 0.186 0.000 1.734 454 C CB -0.802 27.045 27.740 0.178 0.000 2.027 454 C HN 0.527 nan 8.230 nan 0.000 0.496 455 T N 0.266 114.950 114.554 0.216 0.000 2.821 455 T HA -0.106 4.325 4.350 0.136 0.000 0.267 455 T C 1.949 176.747 174.700 0.163 0.000 1.046 455 T CA 1.086 63.334 62.100 0.247 0.000 1.139 455 T CB -0.199 68.790 68.868 0.201 0.000 0.871 455 T HN 0.574 nan 8.240 nan 0.000 0.454 456 R N 0.447 121.019 120.500 0.121 0.000 2.062 456 R HA 0.148 4.570 4.340 0.136 0.000 0.229 456 R C 2.499 178.808 176.300 0.015 0.000 1.128 456 R CA 0.771 56.911 56.100 0.068 0.000 0.960 456 R CB -0.574 29.787 30.300 0.102 0.000 0.855 456 R HN 0.293 nan 8.270 nan 0.000 0.432 457 L N 0.532 121.786 121.223 0.052 0.000 2.012 457 L HA -0.184 4.238 4.340 0.136 0.000 0.210 457 L C 2.325 179.165 176.870 -0.050 0.000 1.073 457 L CA 1.670 56.524 54.840 0.023 0.000 0.748 457 L CB -0.367 41.730 42.059 0.064 0.000 0.891 457 L HN 0.243 nan 8.230 nan 0.000 0.431 458 A N -0.610 122.175 122.820 -0.059 0.000 1.970 458 A HA -0.037 4.365 4.320 0.136 0.000 0.216 458 A C 2.256 179.450 177.584 -0.650 0.000 1.170 458 A CA 1.143 53.063 52.037 -0.194 0.000 0.645 458 A CB -1.020 17.996 19.000 0.027 0.000 0.816 458 A HN 0.516 nan 8.150 nan 0.000 0.447 459 G N 0.120 108.548 108.800 -0.620 0.000 2.440 459 G HA2 -0.266 3.776 3.960 0.136 0.000 0.218 459 G HA3 -0.266 3.776 3.960 0.136 0.000 0.218 459 G C 1.156 175.760 174.900 -0.493 0.000 1.154 459 G CA 1.259 45.925 45.100 -0.723 0.000 0.767 459 G HN 0.460 nan 8.290 nan 0.000 0.552 460 D N 0.766 120.929 120.400 -0.395 0.000 2.097 460 D HA -0.045 4.677 4.640 0.136 0.000 0.197 460 D C 2.511 178.274 176.300 -0.895 0.000 0.984 460 D CA 0.848 54.483 54.000 -0.609 0.000 0.826 460 D CB -0.206 40.333 40.800 -0.435 0.000 0.973 460 D HN 0.296 nan 8.370 nan 0.000 0.460 461 K N 0.917 121.064 120.400 -0.421 0.000 2.103 461 K HA -0.095 4.307 4.320 0.136 0.000 0.207 461 K C 2.137 178.732 176.600 -0.009 0.000 1.048 461 K CA 1.154 57.387 56.287 -0.090 0.000 0.930 461 K CB -0.072 32.453 32.500 0.041 0.000 0.716 461 K HN 0.025 nan 8.250 nan 0.000 0.444 462 A N 2.194 124.923 122.820 -0.152 0.000 1.873 462 A HA -0.182 4.220 4.320 0.136 0.000 0.215 462 A C 1.803 179.520 177.584 0.222 0.000 1.186 462 A CA 1.563 53.618 52.037 0.030 0.000 0.616 462 A CB -0.438 18.436 19.000 -0.210 0.000 0.823 462 A HN 0.238 nan 8.150 nan 0.000 0.442 463 N N -0.747 117.951 118.700 -0.005 0.000 2.166 463 N HA -0.157 4.665 4.740 0.136 0.000 0.186 463 N C 1.588 177.297 175.510 0.332 0.000 1.019 463 N CA 1.691 54.831 53.050 0.149 0.000 0.856 463 N CB -0.645 37.830 38.487 -0.019 0.000 0.993 463 N HN 0.780 nan 8.380 nan 0.000 0.426 464 Y N -1.004 119.466 120.300 0.283 0.000 2.163 464 Y HA -0.211 4.420 4.550 0.136 0.000 0.288 464 Y C 2.454 178.548 175.900 0.324 0.000 1.136 464 Y CA 0.432 58.684 58.100 0.253 0.000 1.147 464 Y CB -0.437 38.141 38.460 0.198 0.000 0.987 464 Y HN 0.138 nan 8.280 nan 0.000 0.509 465 W N 0.802 122.341 121.300 0.399 0.000 2.338 465 W HA -0.285 4.457 4.660 0.137 0.000 0.304 465 W C 2.439 179.301 176.519 0.571 0.000 1.212 465 W CA 1.560 59.148 57.345 0.404 0.000 1.264 465 W CB -0.707 28.945 29.460 0.319 0.000 1.142 465 W HN 0.318 nan 8.180 nan 0.000 0.512 466 W N 0.526 121.933 121.300 0.178 0.000 2.409 466 W HA -0.168 4.574 4.660 0.136 0.000 0.299 466 W C 1.745 178.458 176.519 0.323 0.000 1.203 466 W CA 1.171 58.467 57.345 -0.083 0.000 1.298 466 W CB -0.583 28.948 29.460 0.117 0.000 1.127 466 W HN -0.159 nan 8.180 nan 0.000 0.528 467 L N 0.851 122.285 121.223 0.352 0.000 2.265 467 L HA -0.175 4.247 4.340 0.136 0.000 0.215 467 L C 2.353 179.242 176.870 0.031 0.000 1.117 467 L CA 1.142 56.101 54.840 0.198 0.000 0.782 467 L CB -0.574 41.633 42.059 0.247 0.000 0.914 467 L HN -0.099 nan 8.230 nan 0.000 0.441 468 R N -1.386 119.163 120.500 0.083 0.000 2.323 468 R HA -0.067 4.354 4.340 0.136 0.000 0.198 468 R C 1.236 177.430 176.300 -0.176 0.000 0.988 468 R CA 0.331 56.415 56.100 -0.026 0.000 1.041 468 R CB -0.068 30.210 30.300 -0.037 0.000 0.926 468 R HN 0.411 nan 8.270 nan 0.000 0.476 469 H N -2.109 116.774 119.070 -0.311 0.000 2.648 469 H HA 0.084 4.722 4.556 0.136 0.000 0.265 469 H C 0.275 175.377 175.328 -0.377 0.000 0.961 469 H CA -0.149 55.709 56.048 -0.317 0.000 1.185 469 H CB 0.066 29.558 29.762 -0.450 0.000 1.449 469 H HN 0.081 nan 8.280 nan 0.000 0.523 470 H N 1.999 120.649 119.070 -0.699 0.000 2.972 470 H HA -0.048 4.590 4.556 0.136 0.000 0.343 470 H C -1.642 173.293 175.328 -0.655 0.000 1.054 470 H CA -1.279 53.981 56.048 -1.314 0.000 1.412 470 H CB 1.279 30.228 29.762 -1.354 0.000 1.385 470 H HN 0.093 nan 8.280 nan 0.000 0.600 471 P HA -0.155 nan 4.420 nan 0.000 0.215 471 P C 0.807 178.051 177.300 -0.093 0.000 1.157 471 P CA 1.745 64.671 63.100 -0.290 0.000 0.874 471 P CB 0.126 31.624 31.700 -0.336 0.000 0.790 472 Q N -1.121 118.756 119.800 0.128 0.000 2.518 472 Q HA -0.002 4.419 4.340 0.136 0.000 0.217 472 Q C 0.959 176.891 176.000 -0.112 0.000 0.974 472 Q CA 0.313 56.117 55.803 0.002 0.000 0.971 472 Q CB -0.189 28.559 28.738 0.017 0.000 0.988 472 Q HN 0.199 nan 8.270 nan 0.000 0.536 473 V N -1.429 118.418 119.914 -0.111 0.000 3.165 473 V HA -0.034 4.168 4.120 0.136 0.000 0.231 473 V C 1.266 177.274 176.094 -0.143 0.000 1.365 473 V CA 0.098 62.305 62.300 -0.154 0.000 1.286 473 V CB 0.273 32.053 31.823 -0.072 0.000 1.081 473 V HN 0.275 nan 8.190 nan 0.000 0.477 474 L N 1.576 122.709 121.223 -0.150 0.000 2.622 474 L HA 0.019 4.440 4.340 0.136 0.000 0.233 474 L C 1.579 178.357 176.870 -0.153 0.000 1.156 474 L CA 1.350 56.096 54.840 -0.156 0.000 0.866 474 L CB -0.126 41.828 42.059 -0.176 0.000 0.980 474 L HN 0.535 nan 8.230 nan 0.000 0.448 475 S N -2.554 113.055 115.700 -0.152 0.000 2.730 475 S HA 0.276 4.828 4.470 0.136 0.000 0.244 475 S C 0.472 174.973 174.600 -0.166 0.000 1.022 475 S CA -0.554 57.557 58.200 -0.149 0.000 1.014 475 S CB 0.088 63.205 63.200 -0.139 0.000 0.963 475 S HN 0.129 nan 8.310 nan 0.000 0.540 476 M N 2.904 122.391 119.600 -0.187 0.000 2.227 476 M HA 0.306 4.868 4.480 0.136 0.000 0.349 476 M C 0.296 176.474 176.300 -0.204 0.000 1.443 476 M CA 0.243 55.395 55.300 -0.246 0.000 1.110 476 M CB 0.458 32.891 32.600 -0.278 0.000 1.773 476 M HN 0.354 nan 8.290 nan 0.000 0.463 477 K N 5.218 125.508 120.400 -0.182 0.000 2.281 477 K HA 0.520 4.922 4.320 0.136 0.000 0.272 477 K C -1.083 175.426 176.600 -0.151 0.000 1.048 477 K CA -0.301 55.918 56.287 -0.113 0.000 0.898 477 K CB 0.310 32.763 32.500 -0.078 0.000 1.128 477 K HN 0.535 nan 8.250 nan 0.000 0.460 478 F N 1.475 121.368 119.950 -0.095 0.000 2.370 478 F HA 0.491 5.100 4.527 0.137 0.000 0.324 478 F C 1.451 177.153 175.800 -0.163 0.000 1.116 478 F CA -0.274 57.584 58.000 -0.237 0.000 1.123 478 F CB 1.523 40.330 39.000 -0.322 0.000 1.238 478 F HN 0.589 nan 8.300 nan 0.000 0.536 479 K N 0.886 121.315 120.400 0.049 0.000 2.339 479 K HA 0.272 4.674 4.320 0.136 0.000 0.286 479 K C -0.084 176.511 176.600 -0.008 0.000 1.050 479 K CA -0.513 55.775 56.287 0.001 0.000 0.956 479 K CB -0.340 32.145 32.500 -0.024 0.000 0.990 479 K HN 0.674 nan 8.250 nan 0.000 0.475 480 T N 2.076 116.625 114.554 -0.010 0.000 2.758 480 T HA 0.396 4.828 4.350 0.136 0.000 0.281 480 T C 1.435 176.113 174.700 -0.036 0.000 0.963 480 T CA 1.489 63.577 62.100 -0.021 0.000 1.201 480 T CB -0.125 68.735 68.868 -0.013 0.000 0.906 480 T HN 1.212 nan 8.240 nan 0.000 0.528 481 G N 2.645 111.412 108.800 -0.055 0.000 3.259 481 G HA2 -0.108 3.934 3.960 0.136 0.000 0.217 481 G HA3 -0.108 3.934 3.960 0.136 0.000 0.217 481 G C 0.009 174.857 174.900 -0.087 0.000 0.993 481 G CA -0.646 44.419 45.100 -0.058 0.000 0.836 481 G HN 0.682 nan 8.290 nan 0.000 0.514 482 V N 3.127 122.963 119.914 -0.130 0.000 2.470 482 V HA 0.299 4.501 4.120 0.136 0.000 0.276 482 V C 1.015 176.984 176.094 -0.208 0.000 1.040 482 V CA -0.104 62.071 62.300 -0.209 0.000 1.008 482 V CB 1.039 32.646 31.823 -0.361 0.000 0.990 482 V HN 0.319 nan 8.190 nan 0.000 0.477 483 K N 3.148 123.449 120.400 -0.164 0.000 2.234 483 K HA 0.075 4.477 4.320 0.136 0.000 0.251 483 K C 1.253 177.757 176.600 -0.160 0.000 1.011 483 K CA -0.261 55.954 56.287 -0.120 0.000 0.889 483 K CB 0.483 32.944 32.500 -0.066 0.000 1.011 483 K HN 0.434 nan 8.250 nan 0.000 0.505 484 R N 1.035 121.481 120.500 -0.091 0.000 2.075 484 R HA -0.116 4.306 4.340 0.136 0.000 0.232 484 R C 1.860 178.119 176.300 -0.069 0.000 1.126 484 R CA 2.012 58.065 56.100 -0.079 0.000 0.963 484 R CB -0.445 29.846 30.300 -0.014 0.000 0.858 484 R HN 0.738 nan 8.270 nan 0.000 0.435 485 A N -0.266 122.547 122.820 -0.011 0.000 2.067 485 A HA -0.006 4.396 4.320 0.136 0.000 0.217 485 A C 2.122 179.641 177.584 -0.109 0.000 1.156 485 A CA 1.540 53.580 52.037 0.006 0.000 0.683 485 A CB -0.696 18.381 19.000 0.130 0.000 0.808 485 A HN 0.535 nan 8.150 nan 0.000 0.455 486 E N 0.198 120.305 120.200 -0.154 0.000 2.208 486 E HA -0.001 4.430 4.350 0.136 0.000 0.193 486 E C 1.728 178.148 176.600 -0.299 0.000 0.988 486 E CA 1.145 57.425 56.400 -0.199 0.000 0.828 486 E CB -0.729 28.849 29.700 -0.203 0.000 0.763 486 E HN 0.708 nan 8.360 nan 0.000 0.478 487 I N 0.541 120.858 120.570 -0.422 0.000 2.286 487 I HA -0.177 4.075 4.170 0.136 0.000 0.245 487 I C 2.614 178.601 176.117 -0.218 0.000 1.104 487 I CA 1.161 62.069 61.300 -0.654 0.000 1.397 487 I CB -0.113 37.444 38.000 -0.738 0.000 1.072 487 I HN 0.209 nan 8.210 nan 0.000 0.417 488 S N 1.148 116.783 115.700 -0.108 0.000 2.383 488 S HA -0.166 4.386 4.470 0.136 0.000 0.229 488 S C 1.715 176.340 174.600 0.041 0.000 1.030 488 S CA 1.389 59.592 58.200 0.005 0.000 1.002 488 S CB -0.354 62.861 63.200 0.026 0.000 0.829 488 S HN 0.468 nan 8.310 nan 0.000 0.467 489 N N 1.633 120.336 118.700 0.004 0.000 2.216 489 N HA 0.060 4.882 4.740 0.136 0.000 0.183 489 N C 1.907 177.515 175.510 0.164 0.000 1.017 489 N CA 1.115 54.193 53.050 0.046 0.000 0.861 489 N CB -0.574 37.909 38.487 -0.006 0.000 0.986 489 N HN 0.402 nan 8.380 nan 0.000 0.428 490 A N 1.799 124.753 122.820 0.223 0.000 1.858 490 A HA -0.075 4.327 4.320 0.136 0.000 0.216 490 A C 2.305 180.265 177.584 0.627 0.000 1.190 490 A CA 1.023 53.388 52.037 0.548 0.000 0.617 490 A CB -0.808 18.450 19.000 0.429 0.000 0.827 490 A HN 0.185 nan 8.150 nan 0.000 0.443 491 I N -0.431 120.409 120.570 0.450 0.000 2.361 491 I HA -0.247 4.005 4.170 0.136 0.000 0.251 491 I C 2.183 178.471 176.117 0.286 0.000 1.133 491 I CA 1.883 63.409 61.300 0.377 0.000 1.413 491 I CB -0.352 37.809 38.000 0.268 0.000 1.073 491 I HN 0.465 nan 8.210 nan 0.000 0.424 492 D N 0.287 120.805 120.400 0.197 0.000 2.123 492 D HA -0.189 4.532 4.640 0.136 0.000 0.200 492 D C 2.239 178.553 176.300 0.023 0.000 0.976 492 D CA 1.174 55.226 54.000 0.086 0.000 0.831 492 D CB 0.143 40.977 40.800 0.055 0.000 0.974 492 D HN 0.284 nan 8.370 nan 0.000 0.469 493 Q N -1.137 118.712 119.800 0.082 0.000 2.119 493 Q HA -0.173 4.249 4.340 0.136 0.000 0.201 493 Q C 1.723 177.683 176.000 -0.067 0.000 0.972 493 Q CA 1.047 56.837 55.803 -0.021 0.000 0.847 493 Q CB -0.221 28.510 28.738 -0.012 0.000 0.903 493 Q HN 0.459 nan 8.270 nan 0.000 0.433 494 Y N 1.104 121.368 120.300 -0.061 0.000 2.070 494 Y HA -0.267 4.365 4.550 0.136 0.000 0.280 494 Y C 2.201 178.024 175.900 -0.128 0.000 1.148 494 Y CA 1.763 59.797 58.100 -0.109 0.000 1.125 494 Y CB -0.428 38.122 38.460 0.151 0.000 0.975 494 Y HN 0.038 nan 8.280 nan 0.000 0.492 495 V N -1.678 118.232 119.914 -0.007 0.000 2.809 495 V HA -0.119 4.083 4.120 0.136 0.000 0.256 495 V C 1.722 177.687 176.094 -0.216 0.000 1.080 495 V CA 2.161 64.393 62.300 -0.113 0.000 1.102 495 V CB -1.556 30.305 31.823 0.063 0.000 0.705 495 V HN 0.619 nan 8.190 nan 0.000 0.475 496 T N -2.703 111.652 114.554 -0.332 0.000 3.144 496 T HA 0.396 4.828 4.350 0.136 0.000 0.249 496 T C 1.501 176.058 174.700 -0.238 0.000 1.089 496 T CA 0.473 62.303 62.100 -0.450 0.000 0.989 496 T CB -0.250 68.270 68.868 -0.580 0.000 0.992 496 T HN 1.674 nan 8.240 nan 0.000 0.540 497 G N 2.201 110.857 108.800 -0.240 0.000 2.323 497 G HA2 -0.238 3.804 3.960 0.136 0.000 0.292 497 G HA3 -0.238 3.804 3.960 0.136 0.000 0.292 497 G C 0.376 175.163 174.900 -0.188 0.000 1.040 497 G CA 0.482 45.449 45.100 -0.221 0.000 0.942 497 G HN 1.227 nan 8.290 nan 0.000 0.506 498 T N -3.028 111.405 114.554 -0.203 0.000 3.487 498 T HA 0.516 4.948 4.350 0.136 0.000 0.287 498 T C 1.788 176.378 174.700 -0.183 0.000 1.004 498 T CA 0.245 62.249 62.100 -0.160 0.000 0.977 498 T CB -0.031 68.765 68.868 -0.120 0.000 1.180 498 T HN 0.249 nan 8.240 nan 0.000 0.490 499 I N 1.705 122.102 120.570 -0.289 0.000 2.252 499 I HA 0.270 4.522 4.170 0.136 0.000 0.245 499 I C 1.738 177.727 176.117 -0.213 0.000 1.102 499 I CA 1.386 62.449 61.300 -0.394 0.000 1.385 499 I CB -0.616 36.926 38.000 -0.764 0.000 1.064 499 I HN 0.777 nan 8.210 nan 0.000 0.414 500 G N 0.862 109.560 108.800 -0.171 0.000 2.592 500 G HA2 -0.092 3.950 3.960 0.136 0.000 0.684 500 G HA3 -0.092 3.950 3.960 0.136 0.000 0.684 500 G C -0.788 174.065 174.900 -0.077 0.000 1.291 500 G CA -0.828 44.215 45.100 -0.095 0.000 0.891 500 G HN 0.098 nan 8.290 nan 0.000 0.544 501 E N 0.173 120.347 120.200 -0.042 0.000 2.316 501 E HA 0.658 5.090 4.350 0.136 0.000 0.258 501 E C 1.060 177.660 176.600 -0.001 0.000 0.952 501 E CA 0.918 57.302 56.400 -0.026 0.000 0.818 501 E CB 0.581 30.265 29.700 -0.027 0.000 1.260 501 E HN 1.907 nan 8.360 nan 0.000 0.416 502 D N 0.237 120.640 120.400 0.006 0.000 3.417 502 D HA -0.382 4.339 4.640 0.136 0.000 0.163 502 D C 1.335 177.655 176.300 0.033 0.000 1.070 502 D CA 2.971 56.982 54.000 0.017 0.000 1.047 502 D CB -1.442 39.364 40.800 0.010 0.000 0.514 502 D HN 0.601 nan 8.370 nan 0.000 0.532 503 E N -0.132 120.087 120.200 0.031 0.000 2.284 503 E HA -0.192 4.239 4.350 0.136 0.000 0.200 503 E C 1.901 178.537 176.600 0.060 0.000 1.008 503 E CA 2.436 58.861 56.400 0.041 0.000 0.829 503 E CB -0.765 28.954 29.700 0.031 0.000 0.744 503 E HN 0.736 nan 8.360 nan 0.000 0.491 504 D N -0.494 119.939 120.400 0.055 0.000 2.110 504 D HA -0.056 4.666 4.640 0.136 0.000 0.202 504 D C 2.122 178.500 176.300 0.131 0.000 0.975 504 D CA 1.221 55.267 54.000 0.076 0.000 0.839 504 D CB -0.333 40.489 40.800 0.036 0.000 0.996 504 D HN 0.383 nan 8.370 nan 0.000 0.464 505 L N 1.462 122.743 121.223 0.095 0.000 2.127 505 L HA -0.109 4.313 4.340 0.136 0.000 0.211 505 L C 2.068 179.083 176.870 0.242 0.000 1.089 505 L CA 1.191 56.120 54.840 0.149 0.000 0.757 505 L CB -0.500 41.597 42.059 0.063 0.000 0.899 505 L HN -0.008 nan 8.230 nan 0.000 0.434 506 I N -0.717 119.947 120.570 0.157 0.000 2.163 506 I HA -0.315 3.937 4.170 0.136 0.000 0.240 506 I C 2.447 178.660 176.117 0.159 0.000 1.081 506 I CA 1.385 62.767 61.300 0.137 0.000 1.353 506 I CB -0.343 37.708 38.000 0.084 0.000 1.054 506 I HN 0.247 nan 8.210 nan 0.000 0.407 507 K N -0.127 120.364 120.400 0.152 0.000 2.020 507 K HA -0.284 4.117 4.320 0.136 0.000 0.212 507 K C 1.919 178.639 176.600 0.200 0.000 1.050 507 K CA 2.257 58.628 56.287 0.140 0.000 0.929 507 K CB -0.491 32.083 32.500 0.122 0.000 0.714 507 K HN 0.316 nan 8.250 nan 0.000 0.443 508 W N 1.990 123.345 121.300 0.091 0.000 2.317 508 W HA -0.347 4.395 4.660 0.136 0.000 0.318 508 W C 2.552 179.223 176.519 0.254 0.000 1.227 508 W CA 3.459 60.901 57.345 0.162 0.000 1.269 508 W CB -0.593 28.967 29.460 0.166 0.000 1.155 508 W HN 0.063 nan 8.180 nan 0.000 0.484 509 K N 0.219 120.831 120.400 0.352 0.000 2.442 509 K HA 0.081 4.483 4.320 0.136 0.000 0.199 509 K C 1.724 178.371 176.600 0.078 0.000 1.044 509 K CA 1.793 58.176 56.287 0.160 0.000 0.941 509 K CB -1.398 31.223 32.500 0.202 0.000 0.759 509 K HN 0.486 nan 8.250 nan 0.000 0.472 510 A N 0.171 123.025 122.820 0.057 0.000 2.132 510 A HA 0.293 4.695 4.320 0.136 0.000 0.213 510 A C 2.133 179.692 177.584 -0.043 0.000 1.154 510 A CA 0.587 52.633 52.037 0.015 0.000 0.753 510 A CB -0.034 18.978 19.000 0.020 0.000 0.826 510 A HN 0.410 nan 8.150 nan 0.000 0.469 511 L N -1.247 119.896 121.223 -0.134 0.000 2.376 511 L HA 0.069 4.491 4.340 0.136 0.000 0.219 511 L C -0.012 176.658 176.870 -0.334 0.000 1.133 511 L CA 0.132 54.816 54.840 -0.260 0.000 0.816 511 L CB -0.378 41.435 42.059 -0.409 0.000 0.933 511 L HN 0.277 nan 8.230 nan 0.000 0.449 512 F N -0.412 119.394 119.950 -0.239 0.000 2.432 512 F HA 0.380 4.989 4.527 0.137 0.000 0.329 512 F C 1.526 177.205 175.800 -0.201 0.000 1.076 512 F CA -0.294 57.507 58.000 -0.331 0.000 1.018 512 F CB 0.751 39.415 39.000 -0.561 0.000 1.201 512 F HN -0.201 nan 8.300 nan 0.000 0.489 513 E N 0.459 120.662 120.200 0.006 0.000 2.230 513 E HA 0.292 4.724 4.350 0.136 0.000 0.192 513 E C 0.507 177.088 176.600 -0.032 0.000 0.987 513 E CA 1.208 57.598 56.400 -0.017 0.000 0.841 513 E CB -0.571 29.115 29.700 -0.023 0.000 0.783 513 E HN 0.695 nan 8.360 nan 0.000 0.481 514 E N -0.516 119.653 120.200 -0.052 0.000 2.274 514 E HA 0.570 5.002 4.350 0.136 0.000 0.269 514 E C -0.731 175.749 176.600 -0.200 0.000 0.891 514 E CA -0.395 55.943 56.400 -0.104 0.000 0.784 514 E CB 1.494 31.127 29.700 -0.113 0.000 1.225 514 E HN 0.399 nan 8.360 nan 0.000 0.412 515 V N 5.049 124.844 119.914 -0.198 0.000 2.421 515 V HA 0.307 4.509 4.120 0.136 0.000 0.271 515 V C -1.531 174.360 176.094 -0.338 0.000 1.031 515 V CA -0.844 61.270 62.300 -0.308 0.000 1.032 515 V CB 0.349 32.082 31.823 -0.149 0.000 1.009 515 V HN 0.770 nan 8.190 nan 0.000 0.477 516 P HA 0.431 nan 4.420 nan 0.000 0.285 516 P C -0.335 176.871 177.300 -0.157 0.000 1.259 516 P CA -0.161 62.702 63.100 -0.396 0.000 0.794 516 P CB 1.025 32.337 31.700 -0.647 0.000 0.940 517 E N 3.843 124.003 120.200 -0.066 0.000 2.316 517 E HA 0.258 4.690 4.350 0.136 0.000 0.275 517 E C 0.423 177.096 176.600 0.121 0.000 1.029 517 E CA -0.584 55.825 56.400 0.016 0.000 0.871 517 E CB -0.018 29.672 29.700 -0.016 0.000 1.022 517 E HN 0.498 nan 8.360 nan 0.000 0.418 518 L N 0.743 122.035 121.223 0.115 0.000 2.479 518 L HA 0.239 4.661 4.340 0.136 0.000 0.270 518 L C 0.513 177.280 176.870 -0.172 0.000 1.236 518 L CA -0.275 54.566 54.840 0.002 0.000 0.823 518 L CB 0.131 42.096 42.059 -0.157 0.000 1.098 518 L HN 0.589 nan 8.230 nan 0.000 0.500 519 L N 1.115 122.085 121.223 -0.422 0.000 2.264 519 L HA 0.213 4.635 4.340 0.136 0.000 0.287 519 L C 0.638 177.363 176.870 -0.242 0.000 1.039 519 L CA -0.250 54.386 54.840 -0.341 0.000 0.829 519 L CB 1.198 42.964 42.059 -0.487 0.000 1.211 519 L HN 0.633 nan 8.230 nan 0.000 0.427 520 T N 1.074 115.540 114.554 -0.146 0.000 2.856 520 T HA -0.065 4.367 4.350 0.136 0.000 0.329 520 T C 1.421 176.071 174.700 -0.084 0.000 1.094 520 T CA -0.195 61.845 62.100 -0.101 0.000 1.112 520 T CB 0.633 69.466 68.868 -0.057 0.000 1.009 520 T HN 0.636 nan 8.240 nan 0.000 0.550 521 E N 2.265 122.427 120.200 -0.062 0.000 2.070 521 E HA -0.172 4.260 4.350 0.136 0.000 0.197 521 E C 2.357 178.957 176.600 -0.000 0.000 1.004 521 E CA 1.692 58.072 56.400 -0.033 0.000 0.805 521 E CB -0.858 28.828 29.700 -0.023 0.000 0.744 521 E HN 0.787 nan 8.360 nan 0.000 0.451 522 A N 1.186 124.009 122.820 0.004 0.000 1.902 522 A HA -0.212 4.190 4.320 0.136 0.000 0.217 522 A C 2.085 179.701 177.584 0.053 0.000 1.181 522 A CA 1.615 53.669 52.037 0.029 0.000 0.623 522 A CB -0.475 18.538 19.000 0.023 0.000 0.818 522 A HN 0.228 nan 8.150 nan 0.000 0.443 523 E N -0.178 120.043 120.200 0.034 0.000 2.058 523 E HA -0.215 4.217 4.350 0.136 0.000 0.194 523 E C 2.093 178.760 176.600 0.112 0.000 0.997 523 E CA 1.545 57.984 56.400 0.065 0.000 0.801 523 E CB -0.138 29.562 29.700 -0.001 0.000 0.746 523 E HN 0.581 nan 8.360 nan 0.000 0.450 524 K N 0.718 121.146 120.400 0.048 0.000 2.032 524 K HA -0.159 4.242 4.320 0.136 0.000 0.209 524 K C 2.068 178.792 176.600 0.208 0.000 1.048 524 K CA 1.251 57.598 56.287 0.099 0.000 0.927 524 K CB -0.044 32.471 32.500 0.026 0.000 0.712 524 K HN -0.024 nan 8.250 nan 0.000 0.441 525 K N 0.652 121.139 120.400 0.145 0.000 2.283 525 K HA -0.152 4.250 4.320 0.136 0.000 0.202 525 K C 2.059 178.756 176.600 0.162 0.000 1.048 525 K CA 0.850 57.221 56.287 0.141 0.000 0.948 525 K CB 0.096 32.648 32.500 0.087 0.000 0.742 525 K HN 0.259 nan 8.250 nan 0.000 0.458 526 E N 0.649 120.960 120.200 0.185 0.000 2.028 526 E HA -0.193 4.239 4.350 0.136 0.000 0.190 526 E C 1.739 178.497 176.600 0.264 0.000 0.984 526 E CA 0.704 57.217 56.400 0.188 0.000 0.800 526 E CB -0.111 29.700 29.700 0.185 0.000 0.758 526 E HN 0.448 nan 8.360 nan 0.000 0.448 527 W N 1.339 122.738 121.300 0.165 0.000 2.342 527 W HA -0.202 4.540 4.660 0.136 0.000 0.297 527 W C 1.701 178.459 176.519 0.400 0.000 1.213 527 W CA 1.190 58.673 57.345 0.230 0.000 1.251 527 W CB -0.120 29.475 29.460 0.225 0.000 1.136 527 W HN 0.010 nan 8.180 nan 0.000 0.526 528 V N 1.888 122.029 119.914 0.378 0.000 2.343 528 V HA -0.296 3.906 4.120 0.136 0.000 0.247 528 V C 2.831 178.967 176.094 0.070 0.000 1.051 528 V CA 2.981 65.464 62.300 0.304 0.000 1.036 528 V CB -1.570 30.406 31.823 0.254 0.000 0.654 528 V HN 0.358 nan 8.190 nan 0.000 0.451 529 E N -0.065 120.169 120.200 0.056 0.000 2.396 529 E HA -0.273 4.158 4.350 0.136 0.000 0.200 529 E C 1.965 178.518 176.600 -0.079 0.000 1.023 529 E CA 1.420 57.810 56.400 -0.016 0.000 0.857 529 E CB -0.642 29.065 29.700 0.011 0.000 0.775 529 E HN 0.717 nan 8.360 nan 0.000 0.525 530 K N -1.006 119.338 120.400 -0.093 0.000 2.365 530 K HA 0.144 4.546 4.320 0.136 0.000 0.197 530 K C 0.634 177.036 176.600 -0.331 0.000 1.042 530 K CA -0.200 55.993 56.287 -0.157 0.000 0.987 530 K CB -0.116 32.271 32.500 -0.188 0.000 0.779 530 K HN 0.366 nan 8.250 nan 0.000 0.484 531 L N 2.282 123.173 121.223 -0.552 0.000 2.418 531 L HA 0.041 4.463 4.340 0.136 0.000 0.274 531 L C -0.043 176.517 176.870 -0.517 0.000 1.135 531 L CA 0.901 55.139 54.840 -1.004 0.000 0.870 531 L CB 0.275 41.666 42.059 -1.112 0.000 1.154 531 L HN 0.153 nan 8.230 nan 0.000 0.462 532 T N 0.707 114.989 114.554 -0.453 0.000 2.787 532 T HA 0.516 4.947 4.350 0.136 0.000 0.297 532 T C -0.281 174.301 174.700 -0.196 0.000 1.221 532 T CA -0.517 61.424 62.100 -0.264 0.000 1.006 532 T CB 1.180 69.931 68.868 -0.196 0.000 1.328 532 T HN 0.589 nan 8.240 nan 0.000 0.509 533 E N -0.578 119.530 120.200 -0.153 0.000 2.271 533 E HA -0.089 4.342 4.350 0.136 0.000 0.223 533 E C -0.750 175.845 176.600 -0.008 0.000 1.223 533 E CA 0.166 56.533 56.400 -0.054 0.000 0.704 533 E CB -1.594 28.123 29.700 0.029 0.000 1.194 533 E HN 0.533 nan 8.360 nan 0.000 0.375 534 V N 0.962 120.830 119.914 -0.077 0.000 2.547 534 V HA 0.407 4.609 4.120 0.136 0.000 0.299 534 V C 0.521 176.598 176.094 -0.029 0.000 1.040 534 V CA -0.510 61.763 62.300 -0.045 0.000 0.913 534 V CB 2.155 33.948 31.823 -0.050 0.000 0.992 534 V HN 0.209 nan 8.190 nan 0.000 0.449 535 S N 4.103 119.802 115.700 -0.001 0.000 2.638 535 S HA 0.746 5.298 4.470 0.136 0.000 0.298 535 S C -0.534 173.986 174.600 -0.133 0.000 1.111 535 S CA -0.490 57.714 58.200 0.007 0.000 1.027 535 S CB 1.729 64.946 63.200 0.029 0.000 1.064 535 S HN 0.597 nan 8.310 nan 0.000 0.525 536 I N 1.139 121.631 120.570 -0.131 0.000 2.769 536 I HA 0.535 4.787 4.170 0.136 0.000 0.298 536 I C -0.953 175.146 176.117 -0.029 0.000 1.128 536 I CA -0.223 60.957 61.300 -0.199 0.000 1.031 536 I CB 2.226 40.010 38.000 -0.360 0.000 1.235 536 I HN 0.626 nan 8.210 nan 0.000 0.423 537 S N 3.887 119.585 115.700 -0.004 0.000 2.547 537 S HA 0.600 5.152 4.470 0.136 0.000 0.281 537 S C -1.230 173.370 174.600 -0.001 0.000 1.118 537 S CA -0.378 57.840 58.200 0.030 0.000 0.947 537 S CB 1.722 64.959 63.200 0.062 0.000 1.053 537 S HN 0.605 nan 8.310 nan 0.000 0.482 538 S N 2.137 117.787 115.700 -0.084 0.000 2.500 538 S HA 0.388 4.940 4.470 0.136 0.000 0.301 538 S C 0.331 174.822 174.600 -0.182 0.000 1.092 538 S CA -0.632 57.476 58.200 -0.154 0.000 1.030 538 S CB 1.149 64.092 63.200 -0.429 0.000 1.031 538 S HN 0.823 nan 8.310 nan 0.000 0.483 539 D N 3.001 123.322 120.400 -0.131 0.000 2.371 539 D HA 0.257 4.979 4.640 0.136 0.000 0.221 539 D C 0.518 176.608 176.300 -0.351 0.000 0.986 539 D CA 0.494 54.389 54.000 -0.174 0.000 0.899 539 D CB -0.061 40.710 40.800 -0.049 0.000 0.902 539 D HN 0.572 nan 8.370 nan 0.000 0.530 540 A N -0.492 122.106 122.820 -0.370 0.000 2.569 540 A HA 0.578 4.980 4.320 0.136 0.000 0.290 540 A C -0.543 176.752 177.584 -0.482 0.000 1.136 540 A CA -1.137 50.591 52.037 -0.516 0.000 0.710 540 A CB 0.601 19.253 19.000 -0.579 0.000 1.303 540 A HN 0.114 nan 8.150 nan 0.000 0.413 541 F N -0.921 118.828 119.950 -0.336 0.000 2.480 541 F HA 0.672 5.281 4.527 0.137 0.000 0.319 541 F C -0.703 174.933 175.800 -0.273 0.000 1.230 541 F CA -1.070 56.726 58.000 -0.339 0.000 1.285 541 F CB -0.146 38.701 39.000 -0.256 0.000 1.208 541 F HN 0.231 nan 8.300 nan 0.000 0.579 542 F N 3.101 123.258 119.950 0.345 0.000 2.371 542 F HA 0.361 4.970 4.527 0.137 0.000 0.363 542 F C -1.352 174.588 175.800 0.233 0.000 1.122 542 F CA -2.785 55.341 58.000 0.210 0.000 1.129 542 F CB 0.549 39.631 39.000 0.136 0.000 1.173 542 F HN 0.291 nan 8.300 nan 0.000 0.489 543 P HA -0.162 nan 4.420 nan 0.000 0.211 543 P C 0.214 177.266 177.300 -0.414 0.000 1.179 543 P CA 1.698 64.710 63.100 -0.146 0.000 0.910 543 P CB 0.252 31.649 31.700 -0.506 0.000 0.785 544 F N -1.067 118.986 119.950 0.172 0.000 2.611 544 F HA 0.438 5.047 4.527 0.137 0.000 0.374 544 F C 2.175 178.001 175.800 0.043 0.000 1.110 544 F CA -0.975 57.075 58.000 0.084 0.000 1.090 544 F CB 0.049 39.077 39.000 0.046 0.000 1.388 544 F HN -0.268 nan 8.300 nan 0.000 0.501 545 R N -0.484 120.145 120.500 0.214 0.000 2.300 545 R HA 0.081 4.503 4.340 0.136 0.000 0.199 545 R C 0.615 176.910 176.300 -0.008 0.000 0.920 545 R CA 0.905 57.038 56.100 0.057 0.000 1.046 545 R CB -0.765 29.560 30.300 0.043 0.000 0.984 545 R HN 0.613 nan 8.270 nan 0.000 0.493 546 D N 1.525 121.949 120.400 0.040 0.000 2.158 546 D HA -0.233 4.489 4.640 0.136 0.000 0.197 546 D C 0.864 177.122 176.300 -0.070 0.000 0.995 546 D CA 1.707 55.702 54.000 -0.008 0.000 0.846 546 D CB -0.391 40.417 40.800 0.013 0.000 0.941 546 D HN 0.342 nan 8.370 nan 0.000 0.456 547 N N 0.056 118.672 118.700 -0.141 0.000 2.104 547 N HA -0.117 4.705 4.740 0.136 0.000 0.190 547 N C 1.811 177.091 175.510 -0.383 0.000 1.024 547 N CA 1.510 54.368 53.050 -0.320 0.000 0.853 547 N CB -0.282 37.767 38.487 -0.729 0.000 1.008 547 N HN 0.092 nan 8.380 nan 0.000 0.424 548 V N 1.482 121.161 119.914 -0.392 0.000 2.343 548 V HA -0.220 3.981 4.120 0.136 0.000 0.247 548 V C 1.553 177.559 176.094 -0.147 0.000 1.051 548 V CA 1.658 63.796 62.300 -0.270 0.000 1.036 548 V CB -0.518 31.199 31.823 -0.177 0.000 0.654 548 V HN 0.326 nan 8.190 nan 0.000 0.451 549 D N -0.009 120.327 120.400 -0.107 0.000 2.104 549 D HA -0.211 4.510 4.640 0.136 0.000 0.194 549 D C 2.308 178.580 176.300 -0.047 0.000 0.994 549 D CA 1.611 55.573 54.000 -0.063 0.000 0.830 549 D CB -0.222 40.552 40.800 -0.044 0.000 0.959 549 D HN 0.266 nan 8.370 nan 0.000 0.452 550 R N 1.376 121.851 120.500 -0.042 0.000 2.073 550 R HA -0.027 4.395 4.340 0.136 0.000 0.234 550 R C 2.079 178.400 176.300 0.035 0.000 1.134 550 R CA 1.841 57.941 56.100 -0.000 0.000 0.952 550 R CB -0.897 29.413 30.300 0.016 0.000 0.850 550 R HN 0.073 nan 8.270 nan 0.000 0.433 551 A N 0.594 123.426 122.820 0.020 0.000 1.978 551 A HA -0.199 4.203 4.320 0.136 0.000 0.220 551 A C 2.052 179.643 177.584 0.012 0.000 1.170 551 A CA 1.987 54.060 52.037 0.060 0.000 0.636 551 A CB -0.566 18.382 19.000 -0.088 0.000 0.810 551 A HN 0.345 nan 8.150 nan 0.000 0.448 552 K N 1.069 121.446 120.400 -0.039 0.000 2.097 552 K HA -0.141 4.261 4.320 0.136 0.000 0.206 552 K C 1.773 178.352 176.600 -0.035 0.000 1.049 552 K CA 1.655 57.909 56.287 -0.056 0.000 0.933 552 K CB -0.314 32.146 32.500 -0.065 0.000 0.717 552 K HN 0.609 nan 8.250 nan 0.000 0.442 553 R N -0.431 120.062 120.500 -0.011 0.000 2.391 553 R HA 0.158 4.580 4.340 0.136 0.000 0.225 553 R C 0.065 176.369 176.300 0.007 0.000 1.079 553 R CA 0.512 56.609 56.100 -0.006 0.000 1.147 553 R CB -0.020 30.281 30.300 0.002 0.000 1.103 553 R HN -0.076 nan 8.270 nan 0.000 0.499 554 S N -0.253 115.459 115.700 0.020 0.000 3.031 554 S HA 0.267 4.819 4.470 0.136 0.000 0.253 554 S C 0.652 175.249 174.600 -0.004 0.000 0.996 554 S CA 0.083 58.306 58.200 0.039 0.000 1.098 554 S CB 1.378 64.664 63.200 0.143 0.000 1.042 554 S HN 0.708 nan 8.310 nan 0.000 0.593 555 G N 1.142 109.897 108.800 -0.075 0.000 2.143 555 G HA2 -0.244 3.798 3.960 0.136 0.000 0.249 555 G HA3 -0.244 3.798 3.960 0.136 0.000 0.249 555 G C 0.139 174.953 174.900 -0.144 0.000 0.981 555 G CA 0.137 45.152 45.100 -0.141 0.000 0.665 555 G HN 0.482 nan 8.290 nan 0.000 0.528 556 V N 0.152 119.993 119.914 -0.121 0.000 2.655 556 V HA 0.499 4.700 4.120 0.136 0.000 0.300 556 V C 1.286 177.223 176.094 -0.261 0.000 1.044 556 V CA 1.360 63.548 62.300 -0.186 0.000 1.095 556 V CB 1.418 33.124 31.823 -0.195 0.000 0.952 556 V HN 1.118 nan 8.190 nan 0.000 0.485 557 A N 4.103 126.675 122.820 -0.414 0.000 2.377 557 A HA 0.414 4.816 4.320 0.136 0.000 0.209 557 A C 0.023 177.085 177.584 -0.869 0.000 1.359 557 A CA 0.051 51.664 52.037 -0.707 0.000 1.026 557 A CB 0.526 18.914 19.000 -1.021 0.000 1.224 557 A HN 0.698 nan 8.150 nan 0.000 0.528 558 Y N -0.326 119.926 120.300 -0.079 0.000 2.373 558 Y HA 0.722 5.354 4.550 0.136 0.000 0.336 558 Y C -0.466 175.403 175.900 -0.052 0.000 0.979 558 Y CA -0.826 57.234 58.100 -0.066 0.000 1.080 558 Y CB 1.557 39.963 38.460 -0.089 0.000 1.190 558 Y HN 0.016 nan 8.280 nan 0.000 0.446 559 I N 2.738 123.379 120.570 0.119 0.000 2.608 559 I HA 0.817 5.069 4.170 0.136 0.000 0.295 559 I C -0.716 175.498 176.117 0.161 0.000 1.049 559 I CA -1.021 60.352 61.300 0.121 0.000 1.063 559 I CB 2.159 40.252 38.000 0.156 0.000 1.248 559 I HN 0.738 nan 8.210 nan 0.000 0.424 560 A N 4.726 127.645 122.820 0.165 0.000 2.371 560 A HA 0.993 5.395 4.320 0.136 0.000 0.311 560 A C -0.983 176.647 177.584 0.076 0.000 1.068 560 A CA -0.450 51.707 52.037 0.200 0.000 0.744 560 A CB 1.711 20.946 19.000 0.392 0.000 1.239 560 A HN 0.948 nan 8.150 nan 0.000 0.435 561 A N 3.145 125.988 122.820 0.039 0.000 2.583 561 A HA 0.774 5.176 4.320 0.136 0.000 0.298 561 A C -3.287 174.233 177.584 -0.107 0.000 1.055 561 A CA -1.089 50.878 52.037 -0.117 0.000 0.714 561 A CB 0.593 19.401 19.000 -0.320 0.000 1.277 561 A HN 0.518 nan 8.150 nan 0.000 0.406 562 P HA 0.233 nan 4.420 nan 0.000 0.273 562 P C 0.350 177.476 177.300 -0.291 0.000 1.252 562 P CA 0.456 63.435 63.100 -0.202 0.000 0.809 562 P CB 0.440 32.016 31.700 -0.207 0.000 1.017 563 S N -2.038 113.458 115.700 -0.340 0.000 2.810 563 S HA 0.763 5.315 4.470 0.136 0.000 0.315 563 S C 0.314 174.735 174.600 -0.299 0.000 1.138 563 S CA -0.200 57.654 58.200 -0.576 0.000 0.889 563 S CB 1.130 63.903 63.200 -0.713 0.000 1.236 563 S HN 0.870 nan 8.310 nan 0.000 0.548 564 G N -0.413 108.142 108.800 -0.409 0.000 2.337 564 G HA2 0.103 4.145 3.960 0.136 0.000 0.134 564 G HA3 0.103 4.145 3.960 0.136 0.000 0.134 564 G C -0.278 174.081 174.900 -0.902 0.000 1.052 564 G CA 0.024 44.876 45.100 -0.413 0.000 0.737 564 G HN 1.073 nan 8.290 nan 0.000 0.485 565 S N -1.102 114.057 115.700 -0.902 0.000 2.638 565 S HA 0.834 5.385 4.470 0.136 0.000 0.302 565 S C 1.430 175.767 174.600 -0.439 0.000 1.096 565 S CA 0.566 58.167 58.200 -0.997 0.000 0.953 565 S CB 1.664 64.271 63.200 -0.989 0.000 1.107 565 S HN 1.568 nan 8.310 nan 0.000 0.503 566 A N 1.751 124.383 122.820 -0.313 0.000 2.119 566 A HA 0.421 4.823 4.320 0.136 0.000 0.216 566 A C 1.492 179.016 177.584 -0.100 0.000 1.152 566 A CA 1.153 53.096 52.037 -0.156 0.000 0.708 566 A CB -0.547 18.395 19.000 -0.096 0.000 0.805 566 A HN 1.144 nan 8.150 nan 0.000 0.460 567 A N -0.923 121.831 122.820 -0.111 0.000 2.535 567 A HA 0.354 4.756 4.320 0.136 0.000 0.273 567 A C 0.856 178.429 177.584 -0.017 0.000 1.267 567 A CA 0.363 52.382 52.037 -0.030 0.000 0.940 567 A CB -0.230 18.786 19.000 0.027 0.000 1.101 567 A HN 0.244 nan 8.150 nan 0.000 0.521 568 D N 0.636 121.000 120.400 -0.060 0.000 2.265 568 D HA -0.084 4.638 4.640 0.136 0.000 0.208 568 D C 2.236 178.583 176.300 0.078 0.000 0.977 568 D CA 1.852 55.868 54.000 0.026 0.000 0.871 568 D CB 0.178 40.961 40.800 -0.028 0.000 0.925 568 D HN 0.551 nan 8.370 nan 0.000 0.485 569 K N -0.127 120.290 120.400 0.030 0.000 2.137 569 K HA 0.063 4.465 4.320 0.136 0.000 0.202 569 K C 2.115 178.730 176.600 0.025 0.000 1.052 569 K CA 0.806 57.108 56.287 0.024 0.000 0.961 569 K CB -0.825 31.680 32.500 0.008 0.000 0.741 569 K HN 0.094 nan 8.250 nan 0.000 0.452 570 V N 0.912 120.845 119.914 0.032 0.000 2.427 570 V HA -0.191 4.011 4.120 0.136 0.000 0.248 570 V C 2.435 178.555 176.094 0.043 0.000 1.051 570 V CA 1.517 63.840 62.300 0.038 0.000 1.048 570 V CB 0.101 31.957 31.823 0.056 0.000 0.666 570 V HN 0.368 nan 8.190 nan 0.000 0.456 571 V N -0.062 119.891 119.914 0.065 0.000 2.358 571 V HA -0.217 3.985 4.120 0.136 0.000 0.246 571 V C 2.152 178.270 176.094 0.040 0.000 1.047 571 V CA 2.014 64.361 62.300 0.078 0.000 1.035 571 V CB -0.388 31.536 31.823 0.169 0.000 0.658 571 V HN 0.450 nan 8.190 nan 0.000 0.452 572 I N -0.237 120.346 120.570 0.021 0.000 2.394 572 I HA -0.234 4.017 4.170 0.136 0.000 0.251 572 I C 2.493 178.597 176.117 -0.021 0.000 1.136 572 I CA 1.487 62.768 61.300 -0.031 0.000 1.425 572 I CB -0.309 37.660 38.000 -0.051 0.000 1.079 572 I HN 0.405 nan 8.210 nan 0.000 0.425 573 E N 1.217 121.414 120.200 -0.005 0.000 2.031 573 E HA -0.226 4.206 4.350 0.136 0.000 0.193 573 E C 2.348 178.942 176.600 -0.011 0.000 0.994 573 E CA 1.456 57.852 56.400 -0.006 0.000 0.800 573 E CB -0.067 29.634 29.700 0.003 0.000 0.752 573 E HN 0.465 nan 8.360 nan 0.000 0.447 574 A N 0.238 123.053 122.820 -0.008 0.000 1.902 574 A HA -0.217 4.185 4.320 0.136 0.000 0.217 574 A C 2.435 180.001 177.584 -0.030 0.000 1.181 574 A CA 1.522 53.549 52.037 -0.018 0.000 0.623 574 A CB -0.890 18.100 19.000 -0.017 0.000 0.818 574 A HN 0.515 nan 8.150 nan 0.000 0.443 575 C N -0.434 118.848 119.300 -0.030 0.000 2.422 575 C HA -0.079 4.463 4.460 0.136 0.000 0.279 575 C C 2.281 177.246 174.990 -0.042 0.000 1.305 575 C CA 0.903 59.897 59.018 -0.040 0.000 1.757 575 C CB -1.137 26.582 27.740 -0.034 0.000 1.962 575 C HN 0.571 nan 8.230 nan 0.000 0.499 576 D N 0.507 120.886 120.400 -0.034 0.000 2.123 576 D HA -0.087 4.634 4.640 0.136 0.000 0.200 576 D C 2.126 178.408 176.300 -0.031 0.000 0.976 576 D CA 1.011 54.992 54.000 -0.031 0.000 0.831 576 D CB -0.386 40.398 40.800 -0.025 0.000 0.974 576 D HN 0.590 nan 8.370 nan 0.000 0.469 577 E N -0.042 120.141 120.200 -0.029 0.000 2.204 577 E HA -0.061 4.371 4.350 0.136 0.000 0.194 577 E C 1.814 178.393 176.600 -0.035 0.000 0.989 577 E CA 0.405 56.788 56.400 -0.028 0.000 0.824 577 E CB 0.178 29.864 29.700 -0.023 0.000 0.756 577 E HN 0.246 nan 8.360 nan 0.000 0.477 578 L N -1.090 120.107 121.223 -0.043 0.000 2.616 578 L HA 0.203 4.625 4.340 0.136 0.000 0.229 578 L C 1.121 177.950 176.870 -0.067 0.000 1.110 578 L CA 0.228 55.036 54.840 -0.054 0.000 0.884 578 L CB 0.646 42.669 42.059 -0.061 0.000 1.115 578 L HN 0.232 nan 8.230 nan 0.000 0.481 579 G N 1.178 109.940 108.800 -0.063 0.000 2.137 579 G HA2 -0.259 3.782 3.960 0.136 0.000 0.237 579 G HA3 -0.259 3.782 3.960 0.136 0.000 0.237 579 G C 0.098 174.936 174.900 -0.103 0.000 1.002 579 G CA -0.171 44.885 45.100 -0.073 0.000 0.702 579 G HN 0.264 nan 8.290 nan 0.000 0.515 580 I N 0.839 121.351 120.570 -0.096 0.000 2.359 580 I HA 0.410 4.662 4.170 0.136 0.000 0.294 580 I C 0.866 176.945 176.117 -0.064 0.000 0.987 580 I CA -0.989 60.241 61.300 -0.117 0.000 1.225 580 I CB 1.378 39.315 38.000 -0.104 0.000 1.366 580 I HN -0.040 nan 8.210 nan 0.000 0.466 581 I N 6.725 127.271 120.570 -0.041 0.000 2.352 581 I HA 0.183 4.434 4.170 0.136 0.000 0.290 581 I C -0.355 175.793 176.117 0.051 0.000 1.036 581 I CA -0.265 61.058 61.300 0.038 0.000 1.336 581 I CB 1.025 39.114 38.000 0.147 0.000 1.407 581 I HN 0.368 nan 8.210 nan 0.000 0.497 582 L N 7.200 128.432 121.223 0.015 0.000 2.313 582 L HA 0.710 5.131 4.340 0.136 0.000 0.283 582 L C -0.193 176.674 176.870 -0.005 0.000 1.013 582 L CA -0.091 54.753 54.840 0.006 0.000 0.816 582 L CB 1.387 43.405 42.059 -0.067 0.000 1.236 582 L HN 0.681 nan 8.230 nan 0.000 0.419 583 A N 3.959 126.823 122.820 0.073 0.000 2.287 583 A HA 0.468 4.870 4.320 0.136 0.000 0.317 583 A C -1.055 176.617 177.584 0.147 0.000 1.220 583 A CA -0.381 51.719 52.037 0.105 0.000 0.835 583 A CB 0.147 19.277 19.000 0.218 0.000 1.180 583 A HN 0.872 nan 8.150 nan 0.000 0.500 584 H N 1.733 120.810 119.070 0.012 0.000 2.552 584 H HA 0.440 5.078 4.556 0.136 0.000 0.311 584 H C 0.657 175.944 175.328 -0.069 0.000 1.071 584 H CA 0.053 56.084 56.048 -0.027 0.000 1.307 584 H CB 1.380 31.128 29.762 -0.024 0.000 1.416 584 H HN 0.809 nan 8.280 nan 0.000 0.464 585 T N 0.150 114.694 114.554 -0.015 0.000 2.937 585 T HA 0.134 4.566 4.350 0.136 0.000 0.283 585 T C 0.543 175.166 174.700 -0.129 0.000 1.012 585 T CA -1.061 60.969 62.100 -0.117 0.000 0.997 585 T CB 1.534 70.273 68.868 -0.214 0.000 1.136 585 T HN 0.512 nan 8.240 nan 0.000 0.551 586 N N -0.304 118.317 118.700 -0.132 0.000 2.467 586 N HA 0.329 5.150 4.740 0.136 0.000 0.278 586 N C -1.251 174.179 175.510 -0.134 0.000 1.306 586 N CA -0.372 52.604 53.050 -0.123 0.000 0.905 586 N CB -0.219 38.210 38.487 -0.095 0.000 1.236 586 N HN 0.532 nan 8.380 nan 0.000 0.509 587 L N 0.830 121.955 121.223 -0.162 0.000 2.401 587 L HA 0.465 4.886 4.340 0.136 0.000 0.263 587 L C -0.507 176.244 176.870 -0.199 0.000 1.004 587 L CA -0.560 54.179 54.840 -0.168 0.000 0.881 587 L CB 0.722 42.675 42.059 -0.176 0.000 1.219 587 L HN 0.021 nan 8.230 nan 0.000 0.441 588 R N 4.364 124.735 120.500 -0.215 0.000 2.298 588 R HA 0.391 4.813 4.340 0.136 0.000 0.310 588 R C -0.570 175.567 176.300 -0.271 0.000 1.068 588 R CA -0.294 55.619 56.100 -0.313 0.000 0.957 588 R CB 0.506 30.567 30.300 -0.397 0.000 1.003 588 R HN 0.721 nan 8.270 nan 0.000 0.454 589 L N 6.207 127.265 121.223 -0.275 0.000 3.029 589 L HA 0.280 4.702 4.340 0.136 0.000 0.231 589 L C -0.590 176.264 176.870 -0.027 0.000 1.327 589 L CA -0.483 54.259 54.840 -0.164 0.000 1.166 589 L CB -0.212 41.751 42.059 -0.160 0.000 1.532 589 L HN 0.445 nan 8.230 nan 0.000 0.473 590 F N 0.157 120.055 119.950 -0.087 0.000 2.443 590 F HA 0.261 4.869 4.527 0.136 0.000 0.353 590 F C 0.572 176.350 175.800 -0.035 0.000 1.101 590 F CA -0.518 57.432 58.000 -0.084 0.000 1.226 590 F CB 0.417 39.389 39.000 -0.047 0.000 1.140 590 F HN 0.171 nan 8.300 nan 0.000 0.557 591 H N 3.423 122.453 119.070 -0.068 0.000 2.924 591 H HA 0.432 5.069 4.556 0.136 0.000 0.333 591 H C -1.036 174.111 175.328 -0.301 0.000 0.979 591 H CA -0.306 55.674 56.048 -0.114 0.000 1.326 591 H CB 0.434 30.154 29.762 -0.070 0.000 1.600 591 H HN 0.547 nan 8.280 nan 0.000 0.520 592 H N 0.000 118.903 119.070 -0.278 0.000 2.539 592 H HA 0.000 4.637 4.556 0.136 0.000 0.296 592 H CA 0.000 55.908 56.048 -0.233 0.000 1.023 592 H CB 0.000 29.677 29.762 -0.142 0.000 1.292 592 H HN 0.000 nan 8.280 nan 0.000 0.496