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_C DATA FIRST_RESID 5 DATA SEQUENCE QLALFSVSDK TGLVEFARNL TALGLNLVAS GGTAKALRDA GLAVRDVSEL DATA SEQUENCE TGFPEMLGGR VKTLHPAVHA GILARNIPED NADMARLDFN LIRVVACNLY DATA SEQUENCE PFVKTVASPG VTVEEAVEQI DIGGVTLLRA AAKNHARVTV VCEPEDYVVV DATA SEQUENCE STEMQSSESK DTSLETRRQL ALKAFTHTAQ YDEAISDYFR KQYSKGVSQM DATA SEQUENCE PLRYGMNPHQ TPAQLYTLQP KLPITVLNGA PGFINLCDAL NAWQLVKELK DATA SEQUENCE EALGIPAAAS FKHVSPAGAA VGIPLSEDEA KVCMVYDLYK TLTPISAAYA DATA SEQUENCE RARGADRMSS FGDFVALSDV CDVPTAKIIS REVSDGIIAP GYEEEALTIL DATA SEQUENCE SKKKNGNYCV LQMDQSYKPD ENEVRTLFGL HLSQKRNNGV VDKSLFSNVV DATA SEQUENCE TKNKDLPESA LRDLIVATIA VKYTQSNSVC YAKNGQVIGI GAGQQSRIHC DATA SEQUENCE TRLAGDKANY WWLRHHPQVL SMKFKTGXXX AEISNAIDQY VTGTIGEDED DATA SEQUENCE LIKWKALFEE VPELLTEAEK KEWVEKLTEV SISSDAFFPF RDNVDRAKRS DATA SEQUENCE GVAYIAAPSG SAADKVVIEA CDELGIILAH TNLRLFHH 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 175.991 176.000 -0.015 0.000 1.003 5 Q CA 0.000 55.797 55.803 -0.010 0.000 1.022 5 Q CB 0.000 28.728 28.738 -0.017 0.000 1.108 6 L N 1.456 122.667 121.223 -0.022 0.000 2.330 6 L HA 1.046 5.385 4.340 -0.000 0.000 0.271 6 L C -0.673 176.164 176.870 -0.055 0.000 1.013 6 L CA -1.191 53.633 54.840 -0.027 0.000 0.816 6 L CB 2.059 44.103 42.059 -0.024 0.000 1.287 6 L HN 0.733 nan 8.230 nan 0.000 0.435 7 A N 2.409 125.199 122.820 -0.049 0.000 2.330 7 A HA 0.702 5.022 4.320 -0.000 0.000 0.313 7 A C -1.376 176.115 177.584 -0.153 0.000 1.124 7 A CA -0.415 51.540 52.037 -0.137 0.000 0.774 7 A CB 1.453 20.403 19.000 -0.083 0.000 1.198 7 A HN 0.478 nan 8.150 nan 0.000 0.465 8 L N 2.983 124.024 121.223 -0.302 0.000 2.287 8 L HA 0.778 5.118 4.340 -0.000 0.000 0.287 8 L C -1.625 175.027 176.870 -0.362 0.000 1.022 8 L CA -0.491 54.221 54.840 -0.213 0.000 0.814 8 L CB 0.240 42.199 42.059 -0.166 0.000 1.217 8 L HN 0.523 nan 8.230 nan 0.000 0.420 9 F N 3.348 123.284 119.950 -0.022 0.000 2.469 9 F HA 0.671 5.198 4.527 -0.000 0.000 0.332 9 F C 0.490 176.286 175.800 -0.006 0.000 1.103 9 F CA -0.474 57.526 58.000 0.000 0.000 0.979 9 F CB 2.115 41.125 39.000 0.016 0.000 1.137 9 F HN 0.456 nan 8.300 nan 0.000 0.463 10 S N 3.103 118.893 115.700 0.150 0.000 2.441 10 S HA 0.529 4.999 4.470 -0.000 0.000 0.187 10 S C -1.509 173.120 174.600 0.048 0.000 0.917 10 S CA -0.594 57.653 58.200 0.077 0.000 1.078 10 S CB -0.045 63.161 63.200 0.010 0.000 1.379 10 S HN 0.629 nan 8.310 nan 0.000 0.399 11 V N 1.801 121.769 119.914 0.089 0.000 2.914 11 V HA 0.776 4.896 4.120 -0.000 0.000 0.314 11 V C 0.850 176.986 176.094 0.070 0.000 1.084 11 V CA -0.608 61.734 62.300 0.069 0.000 0.963 11 V CB 1.570 33.472 31.823 0.131 0.000 1.025 11 V HN 0.447 nan 8.190 nan 0.000 0.432 12 S N 0.598 116.333 115.700 0.059 0.000 2.441 12 S HA 0.072 4.542 4.470 -0.000 0.000 0.224 12 S C 0.504 175.154 174.600 0.084 0.000 1.043 12 S CA 1.099 59.362 58.200 0.105 0.000 0.948 12 S CB -0.115 63.172 63.200 0.145 0.000 0.810 12 S HN 1.046 nan 8.310 nan 0.000 0.504 13 D N 0.774 121.209 120.400 0.059 0.000 2.373 13 D HA 0.333 4.972 4.640 -0.000 0.000 0.227 13 D C 0.227 176.556 176.300 0.047 0.000 1.091 13 D CA -0.217 53.806 54.000 0.038 0.000 0.840 13 D CB 0.987 41.792 40.800 0.009 0.000 1.060 13 D HN -0.244 nan 8.370 nan 0.000 0.502 14 K N 1.239 121.672 120.400 0.055 0.000 2.444 14 K HA 0.126 4.446 4.320 -0.000 0.000 0.193 14 K C 0.161 176.805 176.600 0.073 0.000 1.024 14 K CA 0.103 56.438 56.287 0.080 0.000 1.077 14 K CB 0.098 32.637 32.500 0.065 0.000 0.833 14 K HN 0.405 nan 8.250 nan 0.000 0.517 15 T N 1.144 115.708 114.554 0.018 0.000 2.800 15 T HA 0.113 4.463 4.350 -0.000 0.000 0.283 15 T C 1.237 175.927 174.700 -0.018 0.000 0.999 15 T CA 1.254 63.346 62.100 -0.013 0.000 1.176 15 T CB 0.094 68.924 68.868 -0.062 0.000 0.973 15 T HN 0.596 nan 8.240 nan 0.000 0.519 16 G N 2.612 111.446 108.800 0.057 0.000 2.184 16 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.264 16 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.264 16 G C 0.826 175.984 174.900 0.429 0.000 0.975 16 G CA 0.457 45.653 45.100 0.161 0.000 0.642 16 G HN 0.722 nan 8.290 nan 0.000 0.536 17 L N 0.514 121.956 121.223 0.366 0.000 2.093 17 L HA 0.426 4.766 4.340 -0.000 0.000 0.208 17 L C 3.120 180.083 176.870 0.155 0.000 1.085 17 L CA 2.983 58.039 54.840 0.360 0.000 0.755 17 L CB -0.691 41.505 42.059 0.229 0.000 0.904 17 L HN 0.726 nan 8.230 nan 0.000 0.435 18 V N -0.192 119.779 119.914 0.095 0.000 2.214 18 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 18 V C 2.560 178.678 176.094 0.039 0.000 1.047 18 V CA 3.894 66.208 62.300 0.022 0.000 0.998 18 V CB -1.753 30.084 31.823 0.022 0.000 0.633 18 V HN 0.487 nan 8.190 nan 0.000 0.446 19 E N -0.695 119.561 120.200 0.093 0.000 2.065 19 E HA -0.363 3.987 4.350 -0.000 0.000 0.201 19 E C 2.110 178.784 176.600 0.124 0.000 1.016 19 E CA 1.850 58.310 56.400 0.100 0.000 0.818 19 E CB -1.027 28.750 29.700 0.128 0.000 0.749 19 E HN 0.927 nan 8.360 nan 0.000 0.453 20 F N 1.419 121.384 119.950 0.024 0.000 2.091 20 F HA -0.024 4.503 4.527 -0.000 0.000 0.299 20 F C 2.752 178.524 175.800 -0.047 0.000 1.103 20 F CA 1.769 59.743 58.000 -0.043 0.000 1.228 20 F CB -0.768 38.081 39.000 -0.253 0.000 0.984 20 F HN 0.291 nan 8.300 nan 0.000 0.477 21 A N 0.720 123.473 122.820 -0.111 0.000 1.883 21 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 21 A C 2.429 179.885 177.584 -0.214 0.000 1.186 21 A CA 1.738 53.582 52.037 -0.321 0.000 0.624 21 A CB -0.759 17.964 19.000 -0.462 0.000 0.822 21 A HN 0.390 nan 8.150 nan 0.000 0.444 22 R N -0.294 120.128 120.500 -0.130 0.000 2.096 22 R HA -0.159 4.181 4.340 -0.000 0.000 0.240 22 R C 1.984 178.225 176.300 -0.098 0.000 1.139 22 R CA 1.617 57.662 56.100 -0.091 0.000 0.952 22 R CB -0.718 29.555 30.300 -0.045 0.000 0.854 22 R HN 0.595 nan 8.270 nan 0.000 0.436 23 N N 1.011 119.645 118.700 -0.109 0.000 2.013 23 N HA -0.155 4.584 4.740 -0.000 0.000 0.195 23 N C 2.061 177.478 175.510 -0.156 0.000 1.051 23 N CA 1.261 54.243 53.050 -0.113 0.000 0.851 23 N CB -0.483 37.941 38.487 -0.105 0.000 1.044 23 N HN 0.187 nan 8.380 nan 0.000 0.422 24 L N 1.038 122.102 121.223 -0.266 0.000 2.129 24 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 24 L C 2.240 179.033 176.870 -0.128 0.000 1.087 24 L CA 1.195 55.896 54.840 -0.231 0.000 0.757 24 L CB -1.050 40.823 42.059 -0.309 0.000 0.896 24 L HN 0.237 nan 8.230 nan 0.000 0.434 25 T N -0.050 114.436 114.554 -0.113 0.000 2.708 25 T HA -0.169 4.180 4.350 -0.000 0.000 0.266 25 T C 2.080 176.743 174.700 -0.061 0.000 1.037 25 T CA 1.310 63.364 62.100 -0.076 0.000 1.146 25 T CB -0.325 68.498 68.868 -0.075 0.000 0.865 25 T HN 0.459 nan 8.240 nan 0.000 0.435 26 A N 1.306 124.089 122.820 -0.062 0.000 1.933 26 A HA 0.015 4.335 4.320 -0.000 0.000 0.218 26 A C 2.063 179.622 177.584 -0.043 0.000 1.175 26 A CA 1.120 53.129 52.037 -0.046 0.000 0.628 26 A CB -0.811 18.165 19.000 -0.041 0.000 0.814 26 A HN 0.361 nan 8.150 nan 0.000 0.444 27 L N -0.892 120.298 121.223 -0.055 0.000 2.549 27 L HA 0.110 4.450 4.340 -0.000 0.000 0.229 27 L C 1.625 178.470 176.870 -0.041 0.000 1.158 27 L CA 1.276 56.087 54.840 -0.048 0.000 0.842 27 L CB -0.815 41.206 42.059 -0.063 0.000 0.952 27 L HN 0.693 nan 8.230 nan 0.000 0.452 28 G N -0.755 108.021 108.800 -0.040 0.000 2.164 28 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.212 28 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.212 28 G C -0.080 174.801 174.900 -0.031 0.000 1.031 28 G CA -0.205 44.876 45.100 -0.031 0.000 0.730 28 G HN 0.201 nan 8.290 nan 0.000 0.501 29 L N 0.475 121.675 121.223 -0.038 0.000 2.341 29 L HA 0.479 4.818 4.340 -0.000 0.000 0.278 29 L C -0.283 176.577 176.870 -0.017 0.000 1.005 29 L CA -1.250 53.572 54.840 -0.031 0.000 0.818 29 L CB 1.534 43.564 42.059 -0.047 0.000 1.259 29 L HN 0.044 nan 8.230 nan 0.000 0.418 30 N N 3.205 121.902 118.700 -0.006 0.000 2.488 30 N HA 0.321 5.061 4.740 -0.000 0.000 0.274 30 N C -0.662 174.868 175.510 0.032 0.000 1.111 30 N CA -0.562 52.490 53.050 0.004 0.000 0.974 30 N CB 1.648 40.137 38.487 0.003 0.000 1.089 30 N HN 0.234 nan 8.380 nan 0.000 0.465 31 L N 1.978 123.227 121.223 0.043 0.000 2.331 31 L HA 0.306 4.646 4.340 -0.000 0.000 0.278 31 L C 0.069 176.996 176.870 0.095 0.000 1.106 31 L CA -0.290 54.615 54.840 0.109 0.000 0.824 31 L CB 1.048 43.123 42.059 0.026 0.000 1.142 31 L HN 0.222 nan 8.230 nan 0.000 0.443 32 V N 3.243 123.253 119.914 0.160 0.000 2.447 32 V HA 0.837 4.957 4.120 -0.000 0.000 0.292 32 V C -0.075 176.113 176.094 0.156 0.000 1.021 32 V CA -0.544 61.814 62.300 0.098 0.000 0.850 32 V CB 1.331 33.175 31.823 0.035 0.000 1.005 32 V HN 0.902 nan 8.190 nan 0.000 0.426 33 A N 3.711 126.601 122.820 0.116 0.000 2.430 33 A HA 0.986 5.306 4.320 -0.000 0.000 0.300 33 A C 0.134 177.760 177.584 0.070 0.000 1.124 33 A CA -0.254 51.861 52.037 0.130 0.000 0.766 33 A CB 1.971 21.036 19.000 0.108 0.000 1.328 33 A HN 0.951 nan 8.150 nan 0.000 0.424 34 S N -0.197 115.545 115.700 0.071 0.000 2.713 34 S HA 0.580 5.050 4.470 -0.000 0.000 0.277 34 S C 1.403 176.035 174.600 0.053 0.000 1.168 34 S CA 0.024 58.256 58.200 0.053 0.000 0.994 34 S CB 0.503 63.734 63.200 0.052 0.000 1.054 34 S HN 1.906 nan 8.310 nan 0.000 0.555 35 G N 1.067 109.899 108.800 0.053 0.000 2.875 35 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.227 35 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.227 35 G C 1.380 176.308 174.900 0.047 0.000 1.259 35 G CA 1.101 46.230 45.100 0.050 0.000 0.780 35 G HN 1.264 nan 8.290 nan 0.000 0.685 36 G N -1.218 107.617 108.800 0.058 0.000 2.471 36 G HA2 0.039 3.998 3.960 -0.000 0.000 0.219 36 G HA3 0.039 3.998 3.960 -0.000 0.000 0.219 36 G C 1.782 176.711 174.900 0.047 0.000 1.125 36 G CA 1.797 46.928 45.100 0.052 0.000 0.775 36 G HN 0.499 nan 8.290 nan 0.000 0.548 37 T N 1.226 115.813 114.554 0.055 0.000 2.809 37 T HA 0.170 4.520 4.350 -0.000 0.000 0.260 37 T C 2.874 177.583 174.700 0.016 0.000 1.039 37 T CA 1.085 63.216 62.100 0.050 0.000 1.141 37 T CB -0.260 68.661 68.868 0.089 0.000 0.869 37 T HN 0.323 nan 8.240 nan 0.000 0.437 38 A N 2.167 124.999 122.820 0.019 0.000 1.883 38 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 38 A C 2.186 179.762 177.584 -0.013 0.000 1.186 38 A CA 2.286 54.322 52.037 -0.003 0.000 0.624 38 A CB -0.653 18.353 19.000 0.011 0.000 0.822 38 A HN 0.538 nan 8.150 nan 0.000 0.444 39 K N -0.218 120.183 120.400 0.002 0.000 2.103 39 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 39 K C 1.939 178.534 176.600 -0.008 0.000 1.048 39 K CA 1.563 57.850 56.287 -0.000 0.000 0.930 39 K CB -0.357 32.149 32.500 0.010 0.000 0.716 39 K HN 0.351 nan 8.250 nan 0.000 0.444 40 A N 0.905 123.721 122.820 -0.007 0.000 2.016 40 A HA 0.026 4.345 4.320 -0.000 0.000 0.217 40 A C 2.011 179.573 177.584 -0.037 0.000 1.162 40 A CA 0.788 52.818 52.037 -0.012 0.000 0.662 40 A CB -0.326 18.675 19.000 0.001 0.000 0.812 40 A HN 0.330 nan 8.150 nan 0.000 0.450 41 L N -1.271 119.914 121.223 -0.063 0.000 2.313 41 L HA -0.061 4.278 4.340 -0.000 0.000 0.214 41 L C 2.693 179.518 176.870 -0.074 0.000 1.119 41 L CA 0.722 55.500 54.840 -0.104 0.000 0.809 41 L CB -0.332 41.625 42.059 -0.169 0.000 0.933 41 L HN 0.367 nan 8.230 nan 0.000 0.449 42 R N 0.210 120.680 120.500 -0.049 0.000 2.080 42 R HA -0.067 4.273 4.340 -0.000 0.000 0.222 42 R C 1.821 178.104 176.300 -0.028 0.000 1.107 42 R CA 1.220 57.298 56.100 -0.036 0.000 0.980 42 R CB -0.639 29.646 30.300 -0.025 0.000 0.879 42 R HN 0.398 nan 8.270 nan 0.000 0.439 43 D N 0.201 120.587 120.400 -0.023 0.000 2.379 43 D HA 0.180 4.820 4.640 -0.000 0.000 0.243 43 D C 1.103 177.393 176.300 -0.018 0.000 1.088 43 D CA 0.859 54.850 54.000 -0.016 0.000 0.925 43 D CB -0.045 40.749 40.800 -0.010 0.000 0.888 43 D HN 0.418 nan 8.370 nan 0.000 0.529 44 A N -1.992 120.812 122.820 -0.027 0.000 2.551 44 A HA 0.601 4.921 4.320 -0.000 0.000 0.252 44 A C 2.144 179.709 177.584 -0.031 0.000 1.199 44 A CA 1.122 53.142 52.037 -0.028 0.000 0.972 44 A CB 0.249 19.227 19.000 -0.036 0.000 1.153 44 A HN 1.451 nan 8.150 nan 0.000 0.559 45 G N -0.485 108.297 108.800 -0.031 0.000 2.225 45 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.254 45 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.254 45 G C 0.171 175.049 174.900 -0.038 0.000 0.988 45 G CA 0.281 45.363 45.100 -0.030 0.000 0.625 45 G HN 0.487 nan 8.290 nan 0.000 0.527 46 L N 1.445 122.636 121.223 -0.053 0.000 2.416 46 L HA 0.597 4.937 4.340 -0.000 0.000 0.272 46 L C 1.219 178.053 176.870 -0.060 0.000 1.161 46 L CA -0.050 54.750 54.840 -0.066 0.000 0.845 46 L CB 1.049 43.047 42.059 -0.101 0.000 1.119 46 L HN 0.365 nan 8.230 nan 0.000 0.464 47 A N 3.605 126.394 122.820 -0.051 0.000 2.407 47 A HA 0.585 4.905 4.320 -0.000 0.000 0.248 47 A C -0.408 177.149 177.584 -0.045 0.000 1.082 47 A CA -0.249 51.764 52.037 -0.039 0.000 0.785 47 A CB 1.091 20.073 19.000 -0.030 0.000 1.020 47 A HN 0.517 nan 8.150 nan 0.000 0.489 48 V N 3.193 123.087 119.914 -0.033 0.000 2.882 48 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 48 V C -0.627 175.460 176.094 -0.011 0.000 1.273 48 V CA -0.689 61.595 62.300 -0.027 0.000 0.949 48 V CB 1.927 33.721 31.823 -0.048 0.000 1.071 48 V HN 1.093 nan 8.190 nan 0.000 0.432 49 R N 3.519 124.020 120.500 0.001 0.000 2.459 49 R HA 0.471 4.811 4.340 -0.000 0.000 0.281 49 R C -0.625 175.679 176.300 0.008 0.000 1.050 49 R CA -0.596 55.505 56.100 0.003 0.000 1.055 49 R CB 0.790 31.093 30.300 0.004 0.000 1.045 49 R HN 0.669 nan 8.270 nan 0.000 0.495 50 D N 1.285 121.687 120.400 0.004 0.000 2.256 50 D HA 0.031 4.671 4.640 -0.000 0.000 0.250 50 D C 1.112 177.412 176.300 0.001 0.000 1.093 50 D CA -0.100 53.905 54.000 0.007 0.000 0.882 50 D CB 1.923 42.727 40.800 0.007 0.000 1.185 50 D HN 0.203 nan 8.370 nan 0.000 0.437 51 V N 2.629 122.546 119.914 0.004 0.000 2.794 51 V HA -0.276 3.844 4.120 -0.000 0.000 0.260 51 V C 2.556 178.637 176.094 -0.021 0.000 1.103 51 V CA 2.343 64.635 62.300 -0.013 0.000 1.125 51 V CB -0.981 30.838 31.823 -0.006 0.000 0.702 51 V HN 0.707 nan 8.190 nan 0.000 0.494 52 S N 0.795 116.493 115.700 -0.003 0.000 2.406 52 S HA -0.192 4.277 4.470 -0.000 0.000 0.228 52 S C 1.872 176.454 174.600 -0.030 0.000 1.020 52 S CA 1.367 59.566 58.200 -0.001 0.000 0.965 52 S CB -0.231 62.977 63.200 0.014 0.000 0.798 52 S HN 0.792 nan 8.310 nan 0.000 0.488 53 E N 0.493 120.678 120.200 -0.026 0.000 2.371 53 E HA 0.172 4.522 4.350 -0.000 0.000 0.194 53 E C 1.917 178.498 176.600 -0.032 0.000 1.012 53 E CA 0.860 57.243 56.400 -0.029 0.000 0.860 53 E CB -0.498 29.192 29.700 -0.016 0.000 0.811 53 E HN 0.548 nan 8.360 nan 0.000 0.502 54 L N 1.433 122.630 121.223 -0.044 0.000 2.416 54 L HA 0.117 4.457 4.340 -0.000 0.000 0.216 54 L C 2.548 179.356 176.870 -0.104 0.000 1.098 54 L CA 1.673 56.487 54.840 -0.044 0.000 0.840 54 L CB -1.059 40.970 42.059 -0.051 0.000 0.981 54 L HN 0.387 nan 8.230 nan 0.000 0.462 55 T N -5.951 108.490 114.554 -0.189 0.000 3.056 55 T HA 0.428 4.778 4.350 -0.000 0.000 0.241 55 T C 1.713 176.222 174.700 -0.318 0.000 1.006 55 T CA 1.290 63.106 62.100 -0.475 0.000 1.115 55 T CB 0.509 69.052 68.868 -0.542 0.000 0.939 55 T HN 1.821 nan 8.240 nan 0.000 0.462 56 G N 0.924 109.610 108.800 -0.190 0.000 2.201 56 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.212 56 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.212 56 G C -0.208 174.405 174.900 -0.478 0.000 0.994 56 G CA -0.329 44.580 45.100 -0.318 0.000 0.644 56 G HN 0.534 nan 8.290 nan 0.000 0.508 57 F N 1.442 121.352 119.950 -0.066 0.000 2.507 57 F HA 0.655 5.182 4.527 -0.000 0.000 0.325 57 F C -2.138 173.655 175.800 -0.012 0.000 1.116 57 F CA -2.452 55.543 58.000 -0.009 0.000 0.930 57 F CB 2.065 41.085 39.000 0.034 0.000 1.146 57 F HN -0.167 nan 8.300 nan 0.000 0.447 58 P HA 0.148 nan 4.420 nan 0.000 0.278 58 P C -0.718 176.653 177.300 0.118 0.000 1.258 58 P CA -0.821 62.340 63.100 0.102 0.000 0.811 58 P CB 0.659 32.400 31.700 0.068 0.000 1.063 59 E N 2.212 122.463 120.200 0.085 0.000 2.534 59 E HA 0.054 4.404 4.350 -0.000 0.000 0.264 59 E C -0.652 175.996 176.600 0.081 0.000 0.981 59 E CA 0.419 56.867 56.400 0.080 0.000 0.948 59 E CB 0.133 29.874 29.700 0.068 0.000 0.934 59 E HN 0.368 nan 8.360 nan 0.000 0.459 60 M N 1.823 121.468 119.600 0.076 0.000 2.716 60 M HA 0.338 4.818 4.480 -0.000 0.000 0.278 60 M C -0.385 175.950 176.300 0.057 0.000 1.281 60 M CA -0.996 54.345 55.300 0.069 0.000 0.814 60 M CB 1.240 33.888 32.600 0.081 0.000 1.719 60 M HN 0.536 nan 8.290 nan 0.000 0.457 61 L N 0.625 121.878 121.223 0.050 0.000 3.678 61 L HA -0.218 4.122 4.340 -0.000 0.000 0.425 61 L C 0.775 177.671 176.870 0.044 0.000 1.240 61 L CA 0.957 55.823 54.840 0.043 0.000 0.876 61 L CB -2.511 39.572 42.059 0.040 0.000 1.766 61 L HN 1.343 nan 8.230 nan 0.000 0.917 62 G N -0.801 108.024 108.800 0.042 0.000 2.273 62 G HA2 0.052 4.012 3.960 -0.000 0.000 0.280 62 G HA3 0.052 4.012 3.960 -0.000 0.000 0.280 62 G C 1.046 175.973 174.900 0.045 0.000 1.047 62 G CA 0.636 45.757 45.100 0.036 0.000 0.869 62 G HN 1.966 nan 8.290 nan 0.000 0.502 63 G N -1.463 107.376 108.800 0.065 0.000 2.147 63 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 63 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 63 G C 1.031 176.006 174.900 0.125 0.000 1.005 63 G CA 1.132 46.290 45.100 0.097 0.000 0.713 63 G HN 0.887 nan 8.290 nan 0.000 0.515 64 R N -1.272 119.285 120.500 0.095 0.000 2.223 64 R HA 0.279 4.618 4.340 -0.000 0.000 0.198 64 R C 0.346 176.696 176.300 0.084 0.000 0.984 64 R CA 0.897 57.057 56.100 0.100 0.000 1.018 64 R CB 0.700 31.043 30.300 0.072 0.000 0.945 64 R HN 0.346 nan 8.270 nan 0.000 0.479 65 V N 1.793 121.747 119.914 0.067 0.000 2.419 65 V HA 0.219 4.338 4.120 -0.000 0.000 0.287 65 V C -0.009 176.118 176.094 0.055 0.000 1.017 65 V CA -0.442 61.884 62.300 0.045 0.000 0.844 65 V CB 1.665 33.494 31.823 0.010 0.000 1.011 65 V HN 0.179 nan 8.190 nan 0.000 0.429 66 K N 1.622 122.059 120.400 0.061 0.000 2.550 66 K HA 0.146 4.465 4.320 -0.000 0.000 0.205 66 K C 1.106 177.737 176.600 0.051 0.000 1.429 66 K CA 0.788 57.113 56.287 0.063 0.000 0.997 66 K CB 1.227 33.771 32.500 0.073 0.000 1.328 66 K HN 0.673 nan 8.250 nan 0.000 0.546 67 T N -1.452 113.133 114.554 0.051 0.000 3.144 67 T HA 0.304 4.654 4.350 -0.000 0.000 0.290 67 T C 0.621 175.381 174.700 0.101 0.000 0.966 67 T CA -0.384 61.737 62.100 0.036 0.000 0.907 67 T CB -0.063 68.800 68.868 -0.007 0.000 1.152 67 T HN -0.067 nan 8.240 nan 0.000 0.532 68 L N 3.171 124.466 121.223 0.120 0.000 2.650 68 L HA 0.320 4.660 4.340 -0.000 0.000 0.239 68 L C 0.379 177.328 176.870 0.132 0.000 1.412 68 L CA -0.080 54.848 54.840 0.146 0.000 1.219 68 L CB -0.705 41.380 42.059 0.043 0.000 1.534 68 L HN 0.431 nan 8.230 nan 0.000 0.430 69 H N -0.021 119.094 119.070 0.074 0.000 2.717 69 H HA 0.261 4.817 4.556 -0.000 0.000 0.366 69 H C -2.196 173.139 175.328 0.012 0.000 1.132 69 H CA -1.824 54.230 56.048 0.010 0.000 1.180 69 H CB 2.828 32.588 29.762 -0.003 0.000 1.678 69 H HN -0.116 nan 8.280 nan 0.000 0.537 70 P HA -0.195 nan 4.420 nan 0.000 0.217 70 P C 1.144 178.286 177.300 -0.262 0.000 1.151 70 P CA 2.499 65.520 63.100 -0.132 0.000 0.849 70 P CB 0.081 31.700 31.700 -0.135 0.000 0.787 71 A N -0.877 121.823 122.820 -0.200 0.000 1.892 71 A HA -0.207 4.112 4.320 -0.000 0.000 0.218 71 A C 2.402 179.692 177.584 -0.490 0.000 1.188 71 A CA 2.130 53.657 52.037 -0.850 0.000 0.631 71 A CB -1.670 17.084 19.000 -0.410 0.000 0.822 71 A HN 0.071 nan 8.150 nan 0.000 0.447 72 V N -0.597 119.164 119.914 -0.255 0.000 2.307 72 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 72 V C 2.446 178.287 176.094 -0.422 0.000 1.045 72 V CA 2.023 64.126 62.300 -0.328 0.000 1.024 72 V CB -0.873 30.727 31.823 -0.371 0.000 0.651 72 V HN 0.662 nan 8.190 nan 0.000 0.449 73 H N -0.309 118.701 119.070 -0.100 0.000 2.436 73 H HA 0.116 4.672 4.556 -0.000 0.000 0.294 73 H C 2.315 177.605 175.328 -0.062 0.000 1.048 73 H CA 1.385 57.390 56.048 -0.073 0.000 1.353 73 H CB -0.210 29.518 29.762 -0.056 0.000 1.414 73 H HN 0.454 nan 8.280 nan 0.000 0.536 74 A N 0.782 123.596 122.820 -0.009 0.000 1.969 74 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 74 A C 2.717 180.315 177.584 0.024 0.000 1.169 74 A CA 1.351 53.414 52.037 0.043 0.000 0.635 74 A CB -0.892 18.186 19.000 0.130 0.000 0.810 74 A HN 0.434 nan 8.150 nan 0.000 0.445 75 G N -0.606 108.158 108.800 -0.059 0.000 2.534 75 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.217 75 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.217 75 G C 1.353 176.231 174.900 -0.036 0.000 1.128 75 G CA 0.978 46.057 45.100 -0.035 0.000 0.784 75 G HN 0.495 nan 8.290 nan 0.000 0.542 76 I N -0.577 119.966 120.570 -0.044 0.000 2.927 76 I HA 0.180 4.350 4.170 -0.000 0.000 0.268 76 I C 1.971 178.093 176.117 0.009 0.000 1.153 76 I CA 0.341 61.623 61.300 -0.031 0.000 1.459 76 I CB 0.229 38.200 38.000 -0.048 0.000 1.149 76 I HN 0.038 nan 8.210 nan 0.000 0.443 77 L N 0.907 122.151 121.223 0.035 0.000 2.592 77 L HA 0.279 4.619 4.340 -0.000 0.000 0.227 77 L C 1.070 177.963 176.870 0.038 0.000 1.127 77 L CA -0.364 54.504 54.840 0.045 0.000 0.884 77 L CB -0.088 42.009 42.059 0.064 0.000 1.065 77 L HN 0.066 nan 8.230 nan 0.000 0.457 78 A N 1.071 123.913 122.820 0.037 0.000 2.409 78 A HA 0.439 4.758 4.320 -0.000 0.000 0.267 78 A C 0.118 177.715 177.584 0.022 0.000 1.127 78 A CA -0.122 51.939 52.037 0.040 0.000 0.795 78 A CB 0.085 19.119 19.000 0.056 0.000 1.061 78 A HN 0.281 nan 8.150 nan 0.000 0.502 79 R N 2.060 122.571 120.500 0.018 0.000 2.598 79 R HA 0.255 4.594 4.340 -0.000 0.000 0.279 79 R C -0.082 176.222 176.300 0.008 0.000 0.984 79 R CA -0.869 55.234 56.100 0.006 0.000 0.999 79 R CB 0.811 31.112 30.300 0.002 0.000 1.114 79 R HN 0.761 nan 8.270 nan 0.000 0.493 80 N N 3.764 122.464 118.700 0.001 0.000 2.466 80 N HA 0.111 4.851 4.740 -0.000 0.000 0.263 80 N C -0.918 174.593 175.510 0.002 0.000 1.178 80 N CA 0.255 53.306 53.050 0.002 0.000 0.983 80 N CB -0.082 38.404 38.487 -0.002 0.000 1.331 80 N HN 0.467 nan 8.380 nan 0.000 0.500 81 I N -0.238 120.336 120.570 0.006 0.000 3.004 81 I HA 0.465 4.635 4.170 -0.000 0.000 0.305 81 I C -2.131 173.990 176.117 0.007 0.000 1.312 81 I CA -1.847 59.456 61.300 0.005 0.000 0.992 81 I CB 2.146 40.149 38.000 0.005 0.000 1.282 81 I HN -0.005 nan 8.210 nan 0.000 0.449 82 P HA -0.338 nan 4.420 nan 0.000 0.216 82 P C 1.254 178.557 177.300 0.006 0.000 0.860 82 P CA 2.391 65.493 63.100 0.004 0.000 1.042 82 P CB -0.317 31.385 31.700 0.003 0.000 0.716 83 E N 0.621 120.825 120.200 0.007 0.000 2.114 83 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 83 E C 1.684 178.292 176.600 0.013 0.000 1.008 83 E CA 2.110 58.515 56.400 0.008 0.000 0.810 83 E CB -1.634 28.072 29.700 0.009 0.000 0.739 83 E HN 0.246 nan 8.360 nan 0.000 0.456 84 D N 1.197 121.607 120.400 0.017 0.000 2.092 84 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 84 D C 1.862 178.178 176.300 0.027 0.000 0.994 84 D CA 1.510 55.526 54.000 0.027 0.000 0.828 84 D CB -0.275 40.541 40.800 0.027 0.000 0.963 84 D HN 0.205 nan 8.370 nan 0.000 0.450 85 N N 0.289 119.001 118.700 0.019 0.000 2.120 85 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 85 N C 1.767 177.281 175.510 0.007 0.000 1.024 85 N CA 1.202 54.261 53.050 0.016 0.000 0.852 85 N CB -0.381 38.112 38.487 0.010 0.000 1.003 85 N HN 0.143 nan 8.380 nan 0.000 0.424 86 A N 1.817 124.639 122.820 0.003 0.000 1.884 86 A HA -0.223 4.096 4.320 -0.000 0.000 0.219 86 A C 1.869 179.444 177.584 -0.015 0.000 1.197 86 A CA 2.027 54.060 52.037 -0.006 0.000 0.637 86 A CB -0.625 18.372 19.000 -0.004 0.000 0.827 86 A HN 0.184 nan 8.150 nan 0.000 0.450 87 D N -0.299 120.098 120.400 -0.005 0.000 2.088 87 D HA -0.158 4.481 4.640 -0.000 0.000 0.191 87 D C 2.046 178.323 176.300 -0.038 0.000 0.992 87 D CA 1.549 55.540 54.000 -0.014 0.000 0.831 87 D CB -0.459 40.354 40.800 0.021 0.000 0.973 87 D HN 0.276 nan 8.370 nan 0.000 0.447 88 M N 0.600 120.207 119.600 0.012 0.000 2.255 88 M HA -0.152 4.328 4.480 -0.000 0.000 0.259 88 M C 2.146 178.418 176.300 -0.046 0.000 1.071 88 M CA 1.036 56.353 55.300 0.027 0.000 1.074 88 M CB -1.188 31.466 32.600 0.090 0.000 1.384 88 M HN 0.028 nan 8.290 nan 0.000 0.415 89 A N 0.891 123.687 122.820 -0.040 0.000 1.872 89 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 89 A C 2.169 179.703 177.584 -0.084 0.000 1.187 89 A CA 1.491 53.500 52.037 -0.047 0.000 0.614 89 A CB -0.589 18.395 19.000 -0.027 0.000 0.826 89 A HN 0.620 nan 8.150 nan 0.000 0.442 90 R N -0.858 119.586 120.500 -0.092 0.000 2.328 90 R HA 0.285 4.624 4.340 -0.000 0.000 0.200 90 R C 0.707 176.901 176.300 -0.178 0.000 0.983 90 R CA 0.893 56.930 56.100 -0.104 0.000 1.062 90 R CB -0.261 29.996 30.300 -0.073 0.000 0.956 90 R HN 0.424 nan 8.270 nan 0.000 0.479 91 L N -0.214 120.832 121.223 -0.295 0.000 2.993 91 L HA 0.234 4.573 4.340 -0.000 0.000 0.264 91 L C -0.020 176.483 176.870 -0.613 0.000 1.154 91 L CA 0.846 55.347 54.840 -0.565 0.000 0.972 91 L CB 0.798 42.285 42.059 -0.953 0.000 1.373 91 L HN 0.427 nan 8.230 nan 0.000 0.564 92 D N -0.058 120.146 120.400 -0.326 0.000 2.760 92 D HA -0.236 4.404 4.640 -0.000 0.000 0.244 92 D C -0.306 176.009 176.300 0.026 0.000 1.123 92 D CA 0.555 54.478 54.000 -0.128 0.000 0.719 92 D CB -2.416 38.340 40.800 -0.073 0.000 1.045 92 D HN 0.087 nan 8.370 nan 0.000 0.426 93 F N 0.033 119.996 119.950 0.023 0.000 2.311 93 F HA 0.548 5.075 4.527 -0.000 0.000 0.371 93 F C 1.065 176.872 175.800 0.012 0.000 1.083 93 F CA -1.081 56.933 58.000 0.025 0.000 1.113 93 F CB 0.176 39.198 39.000 0.036 0.000 1.349 93 F HN 0.712 nan 8.300 nan 0.000 0.470 94 N N 3.493 122.308 118.700 0.191 0.000 2.329 94 N HA 0.249 4.989 4.740 -0.000 0.000 0.237 94 N C 0.016 175.571 175.510 0.075 0.000 1.258 94 N CA -0.088 53.019 53.050 0.096 0.000 0.866 94 N CB 0.369 38.892 38.487 0.059 0.000 1.102 94 N HN 0.551 nan 8.380 nan 0.000 0.440 95 L N 0.635 121.885 121.223 0.044 0.000 2.371 95 L HA 0.426 4.766 4.340 -0.000 0.000 0.272 95 L C 0.406 177.272 176.870 -0.008 0.000 1.124 95 L CA -0.306 54.547 54.840 0.022 0.000 0.816 95 L CB 0.838 42.907 42.059 0.017 0.000 1.129 95 L HN 0.607 nan 8.230 nan 0.000 0.448 96 I N 3.237 123.790 120.570 -0.029 0.000 2.331 96 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 96 I C 1.073 177.157 176.117 -0.054 0.000 0.998 96 I CA -0.010 61.257 61.300 -0.056 0.000 1.267 96 I CB 1.576 39.524 38.000 -0.087 0.000 1.386 96 I HN 0.719 nan 8.210 nan 0.000 0.476 97 R N 4.838 125.302 120.500 -0.060 0.000 2.167 97 R HA 0.247 4.587 4.340 -0.000 0.000 0.201 97 R C -0.250 176.008 176.300 -0.070 0.000 1.024 97 R CA 0.614 56.682 56.100 -0.054 0.000 1.053 97 R CB 0.709 30.982 30.300 -0.045 0.000 0.987 97 R HN 0.450 nan 8.270 nan 0.000 0.493 98 V N 1.490 121.340 119.914 -0.107 0.000 2.628 98 V HA 0.428 4.548 4.120 -0.000 0.000 0.306 98 V C -0.793 175.175 176.094 -0.210 0.000 1.045 98 V CA -0.764 61.455 62.300 -0.137 0.000 0.905 98 V CB 2.121 33.848 31.823 -0.160 0.000 0.997 98 V HN -0.139 nan 8.190 nan 0.000 0.436 99 V N 3.137 122.932 119.914 -0.198 0.000 2.482 99 V HA 0.754 4.874 4.120 -0.000 0.000 0.295 99 V C -0.036 175.914 176.094 -0.239 0.000 1.026 99 V CA -0.505 61.654 62.300 -0.235 0.000 0.856 99 V CB 1.779 33.503 31.823 -0.164 0.000 1.001 99 V HN 0.993 nan 8.190 nan 0.000 0.424 100 A N 3.929 126.549 122.820 -0.333 0.000 2.267 100 A HA 0.770 5.090 4.320 -0.000 0.000 0.315 100 A C -0.545 176.987 177.584 -0.087 0.000 1.297 100 A CA -0.420 51.494 52.037 -0.204 0.000 0.865 100 A CB 0.955 19.799 19.000 -0.260 0.000 1.165 100 A HN 1.124 nan 8.150 nan 0.000 0.513 101 C N 4.233 123.488 119.300 -0.075 0.000 2.811 101 C HA 0.700 5.160 4.460 -0.000 0.000 0.352 101 C C -1.284 173.637 174.990 -0.115 0.000 1.098 101 C CA -0.865 58.106 59.018 -0.079 0.000 1.295 101 C CB 0.888 28.557 27.740 -0.118 0.000 1.758 101 C HN 0.914 nan 8.230 nan 0.000 0.488 102 N N 3.672 122.321 118.700 -0.085 0.000 2.471 102 N HA 0.765 5.505 4.740 -0.000 0.000 0.288 102 N C -1.047 174.384 175.510 -0.132 0.000 1.220 102 N CA -0.440 52.554 53.050 -0.093 0.000 0.893 102 N CB 1.233 39.703 38.487 -0.029 0.000 1.256 102 N HN 0.695 nan 8.380 nan 0.000 0.534 103 L N 0.256 121.410 121.223 -0.114 0.000 2.319 103 L HA 0.455 4.794 4.340 -0.000 0.000 0.267 103 L C -0.531 176.329 176.870 -0.017 0.000 1.011 103 L CA -1.115 53.581 54.840 -0.240 0.000 0.818 103 L CB 0.607 42.348 42.059 -0.530 0.000 1.316 103 L HN 0.326 nan 8.230 nan 0.000 0.432 104 Y N 1.852 122.215 120.300 0.104 0.000 2.721 104 Y HA 0.011 4.560 4.550 -0.000 0.000 0.329 104 Y C -1.541 174.523 175.900 0.272 0.000 1.211 104 Y CA -2.070 56.137 58.100 0.179 0.000 1.512 104 Y CB -0.491 38.094 38.460 0.208 0.000 1.249 104 Y HN 0.278 nan 8.280 nan 0.000 0.549 105 P HA -0.120 nan 4.420 nan 0.000 0.235 105 P C 0.874 178.276 177.300 0.170 0.000 1.670 105 P CA 0.384 63.620 63.100 0.226 0.000 1.017 105 P CB -0.759 31.013 31.700 0.121 0.000 1.945 106 F N 2.259 122.288 119.950 0.131 0.000 2.126 106 F HA -0.243 4.283 4.527 -0.000 0.000 0.299 106 F C 1.941 177.654 175.800 -0.145 0.000 1.096 106 F CA 1.631 59.593 58.000 -0.064 0.000 1.255 106 F CB -0.499 38.362 39.000 -0.231 0.000 0.997 106 F HN -0.104 nan 8.300 nan 0.000 0.479 107 V N 0.486 120.366 119.914 -0.056 0.000 2.295 107 V HA -0.296 3.823 4.120 -0.000 0.000 0.246 107 V C 2.458 178.439 176.094 -0.188 0.000 1.049 107 V CA 2.164 64.383 62.300 -0.135 0.000 1.024 107 V CB -0.761 31.070 31.823 0.013 0.000 0.648 107 V HN 0.252 nan 8.190 nan 0.000 0.447 108 K N -0.254 120.081 120.400 -0.108 0.000 2.097 108 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 108 K C 2.306 178.804 176.600 -0.170 0.000 1.049 108 K CA 1.828 58.054 56.287 -0.102 0.000 0.933 108 K CB -0.369 32.104 32.500 -0.045 0.000 0.717 108 K HN 0.482 nan 8.250 nan 0.000 0.442 109 T N 1.036 115.450 114.554 -0.232 0.000 2.708 109 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 109 T C 1.853 176.310 174.700 -0.404 0.000 1.037 109 T CA 1.689 63.615 62.100 -0.291 0.000 1.146 109 T CB -0.154 68.528 68.868 -0.310 0.000 0.865 109 T HN 0.183 nan 8.240 nan 0.000 0.435 110 V N -0.153 119.374 119.914 -0.645 0.000 3.217 110 V HA 0.360 4.480 4.120 -0.000 0.000 0.264 110 V C 2.253 178.148 176.094 -0.332 0.000 1.135 110 V CA 0.937 62.837 62.300 -0.667 0.000 1.142 110 V CB -1.184 29.924 31.823 -1.193 0.000 0.754 110 V HN 0.398 nan 8.190 nan 0.000 0.484 111 A N -0.151 122.522 122.820 -0.245 0.000 2.147 111 A HA 0.282 4.602 4.320 -0.000 0.000 0.211 111 A C 1.555 179.077 177.584 -0.103 0.000 1.160 111 A CA 0.457 52.413 52.037 -0.135 0.000 0.781 111 A CB -0.300 18.637 19.000 -0.106 0.000 0.842 111 A HN 0.486 nan 8.150 nan 0.000 0.475 112 S N 1.399 117.025 115.700 -0.123 0.000 2.566 112 S HA 0.293 4.763 4.470 -0.000 0.000 0.280 112 S C -2.440 172.119 174.600 -0.069 0.000 1.343 112 S CA -0.477 57.669 58.200 -0.090 0.000 1.036 112 S CB 0.108 63.249 63.200 -0.098 0.000 0.866 112 S HN 0.204 nan 8.310 nan 0.000 0.526 113 P HA 0.164 nan 4.420 nan 0.000 0.260 113 P C 0.554 177.833 177.300 -0.034 0.000 1.207 113 P CA 0.796 63.874 63.100 -0.036 0.000 0.780 113 P CB -0.105 31.579 31.700 -0.028 0.000 0.789 114 G N 2.462 111.245 108.800 -0.028 0.000 2.273 114 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.280 114 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.280 114 G C 0.299 175.183 174.900 -0.027 0.000 1.047 114 G CA -0.029 45.058 45.100 -0.022 0.000 0.869 114 G HN 0.635 nan 8.290 nan 0.000 0.502 115 V N 0.791 120.679 119.914 -0.043 0.000 2.999 115 V HA 0.643 4.763 4.120 -0.000 0.000 0.307 115 V C 1.079 177.162 176.094 -0.018 0.000 1.084 115 V CA 1.119 63.382 62.300 -0.062 0.000 1.155 115 V CB 1.219 32.961 31.823 -0.135 0.000 0.975 115 V HN 1.183 nan 8.190 nan 0.000 0.490 116 T N 2.593 117.139 114.554 -0.014 0.000 2.912 116 T HA 0.459 4.809 4.350 -0.000 0.000 0.288 116 T C 0.834 175.575 174.700 0.068 0.000 1.030 116 T CA -0.176 61.944 62.100 0.033 0.000 1.020 116 T CB 1.523 70.408 68.868 0.029 0.000 1.056 116 T HN 0.420 nan 8.240 nan 0.000 0.480 117 V N 1.379 121.374 119.914 0.134 0.000 2.324 117 V HA -0.186 3.933 4.120 -0.000 0.000 0.250 117 V C 2.795 178.996 176.094 0.179 0.000 1.060 117 V CA 2.125 64.552 62.300 0.212 0.000 1.042 117 V CB -0.823 31.165 31.823 0.276 0.000 0.650 117 V HN 0.988 nan 8.190 nan 0.000 0.450 118 E N -0.441 119.837 120.200 0.130 0.000 2.085 118 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 118 E C 2.266 178.904 176.600 0.065 0.000 0.994 118 E CA 1.603 58.065 56.400 0.103 0.000 0.801 118 E CB -0.084 29.659 29.700 0.072 0.000 0.743 118 E HN 0.720 nan 8.360 nan 0.000 0.453 119 E N 0.307 120.522 120.200 0.025 0.000 2.072 119 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 119 E C 2.056 178.625 176.600 -0.051 0.000 0.985 119 E CA 0.813 57.199 56.400 -0.023 0.000 0.801 119 E CB -0.086 29.584 29.700 -0.050 0.000 0.750 119 E HN 0.188 nan 8.360 nan 0.000 0.452 120 A N 1.127 123.893 122.820 -0.090 0.000 1.902 120 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 120 A C 2.516 180.161 177.584 0.102 0.000 1.181 120 A CA 1.105 53.028 52.037 -0.190 0.000 0.623 120 A CB -0.742 17.954 19.000 -0.507 0.000 0.818 120 A HN 0.119 nan 8.150 nan 0.000 0.443 121 V N -0.007 120.013 119.914 0.176 0.000 2.469 121 V HA -0.219 3.901 4.120 -0.000 0.000 0.251 121 V C 2.427 178.628 176.094 0.179 0.000 1.064 121 V CA 2.340 64.800 62.300 0.266 0.000 1.066 121 V CB -0.666 31.322 31.823 0.275 0.000 0.667 121 V HN 0.567 nan 8.190 nan 0.000 0.461 122 E N -0.562 119.696 120.200 0.096 0.000 2.427 122 E HA -0.074 4.276 4.350 -0.000 0.000 0.196 122 E C 1.980 178.570 176.600 -0.017 0.000 1.028 122 E CA 0.357 56.774 56.400 0.029 0.000 0.864 122 E CB -0.034 29.653 29.700 -0.022 0.000 0.813 122 E HN 0.455 nan 8.360 nan 0.000 0.514 123 Q N -0.470 119.379 119.800 0.081 0.000 2.280 123 Q HA 0.198 4.538 4.340 -0.000 0.000 0.201 123 Q C -0.108 176.156 176.000 0.440 0.000 0.890 123 Q CA -0.015 55.880 55.803 0.154 0.000 0.947 123 Q CB 0.454 29.274 28.738 0.138 0.000 1.081 123 Q HN 0.314 nan 8.270 nan 0.000 0.502 124 I N 1.738 122.523 120.570 0.358 0.000 2.363 124 I HA 0.029 4.199 4.170 -0.000 0.000 0.292 124 I C 0.508 176.892 176.117 0.446 0.000 1.075 124 I CA -0.253 61.227 61.300 0.300 0.000 1.333 124 I CB 0.529 38.612 38.000 0.138 0.000 1.415 124 I HN -0.176 nan 8.210 nan 0.000 0.502 125 D N 6.416 127.147 120.400 0.552 0.000 2.350 125 D HA 0.134 4.774 4.640 -0.000 0.000 0.249 125 D C 0.512 176.918 176.300 0.177 0.000 1.119 125 D CA 0.006 54.173 54.000 0.279 0.000 0.886 125 D CB 1.536 42.267 40.800 -0.116 0.000 1.195 125 D HN 0.303 nan 8.370 nan 0.000 0.437 126 I N 2.269 122.903 120.570 0.106 0.000 3.393 126 I HA 0.056 4.226 4.170 -0.000 0.000 0.250 126 I C 2.251 178.380 176.117 0.019 0.000 1.122 126 I CA 0.410 61.752 61.300 0.071 0.000 1.484 126 I CB -1.245 36.803 38.000 0.081 0.000 1.468 126 I HN 0.527 nan 8.210 nan 0.000 0.461 127 G N 0.510 109.320 108.800 0.015 0.000 2.572 127 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.216 127 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.216 127 G C 1.555 176.444 174.900 -0.019 0.000 1.133 127 G CA 0.773 45.886 45.100 0.020 0.000 0.791 127 G HN 0.473 nan 8.290 nan 0.000 0.538 128 G N 0.669 109.406 108.800 -0.104 0.000 2.394 128 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.214 128 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.214 128 G C 1.705 176.519 174.900 -0.143 0.000 1.176 128 G CA 1.038 46.038 45.100 -0.166 0.000 0.786 128 G HN 0.242 nan 8.290 nan 0.000 0.533 129 V N 1.091 120.921 119.914 -0.141 0.000 2.469 129 V HA -0.182 3.938 4.120 -0.000 0.000 0.251 129 V C 3.136 179.196 176.094 -0.057 0.000 1.064 129 V CA 2.315 64.550 62.300 -0.108 0.000 1.066 129 V CB -0.700 31.098 31.823 -0.042 0.000 0.667 129 V HN 0.376 nan 8.190 nan 0.000 0.461 130 T N -0.059 114.479 114.554 -0.028 0.000 2.857 130 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 130 T C 1.871 176.603 174.700 0.054 0.000 1.048 130 T CA 1.226 63.320 62.100 -0.010 0.000 1.139 130 T CB -0.192 68.648 68.868 -0.047 0.000 0.874 130 T HN 0.283 nan 8.240 nan 0.000 0.455 131 L N 0.505 121.771 121.223 0.072 0.000 1.994 131 L HA -0.067 4.272 4.340 -0.000 0.000 0.208 131 L C 2.459 179.295 176.870 -0.056 0.000 1.071 131 L CA 1.256 56.121 54.840 0.042 0.000 0.745 131 L CB -0.541 41.492 42.059 -0.043 0.000 0.892 131 L HN 0.254 nan 8.230 nan 0.000 0.431 132 L N -0.762 120.392 121.223 -0.115 0.000 2.042 132 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 132 L C 2.818 179.523 176.870 -0.275 0.000 1.076 132 L CA 1.443 56.168 54.840 -0.191 0.000 0.749 132 L CB -0.513 41.426 42.059 -0.200 0.000 0.893 132 L HN 0.249 nan 8.230 nan 0.000 0.432 133 R N -0.391 119.977 120.500 -0.221 0.000 2.073 133 R HA -0.040 4.300 4.340 -0.000 0.000 0.229 133 R C 2.469 178.701 176.300 -0.114 0.000 1.120 133 R CA 1.081 57.019 56.100 -0.269 0.000 0.967 133 R CB -0.441 29.842 30.300 -0.028 0.000 0.862 133 R HN 0.324 nan 8.270 nan 0.000 0.436 134 A N 1.573 124.382 122.820 -0.018 0.000 1.877 134 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 134 A C 2.389 179.984 177.584 0.018 0.000 1.186 134 A CA 1.820 53.888 52.037 0.051 0.000 0.620 134 A CB -0.673 18.426 19.000 0.164 0.000 0.822 134 A HN 0.387 nan 8.150 nan 0.000 0.443 135 A N -0.295 122.502 122.820 -0.038 0.000 1.898 135 A HA 0.221 4.541 4.320 -0.000 0.000 0.216 135 A C 2.500 180.060 177.584 -0.040 0.000 1.181 135 A CA 1.948 53.957 52.037 -0.046 0.000 0.620 135 A CB -1.032 17.919 19.000 -0.082 0.000 0.819 135 A HN 1.097 nan 8.150 nan 0.000 0.442 136 A N -0.080 122.639 122.820 -0.167 0.000 1.972 136 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 136 A C 2.107 179.771 177.584 0.134 0.000 1.169 136 A CA 2.048 53.951 52.037 -0.223 0.000 0.635 136 A CB -0.415 18.034 19.000 -0.919 0.000 0.810 136 A HN 0.607 nan 8.150 nan 0.000 0.446 137 K N -0.551 119.960 120.400 0.184 0.000 2.062 137 K HA -0.120 4.199 4.320 -0.000 0.000 0.205 137 K C 1.161 177.913 176.600 0.253 0.000 1.051 137 K CA 1.408 57.909 56.287 0.355 0.000 0.941 137 K CB -0.131 32.537 32.500 0.281 0.000 0.719 137 K HN 0.353 nan 8.250 nan 0.000 0.440 138 N N 1.398 120.178 118.700 0.134 0.000 2.389 138 N HA -0.057 4.683 4.740 -0.000 0.000 0.237 138 N C 0.972 176.479 175.510 -0.004 0.000 1.148 138 N CA -0.034 53.041 53.050 0.042 0.000 0.854 138 N CB -0.216 38.285 38.487 0.022 0.000 1.115 138 N HN 0.382 nan 8.380 nan 0.000 0.492 139 H N -1.153 117.941 119.070 0.040 0.000 2.460 139 H HA -0.130 4.426 4.556 -0.000 0.000 0.297 139 H C 1.401 176.743 175.328 0.023 0.000 1.103 139 H CA 1.370 57.433 56.048 0.026 0.000 1.292 139 H CB -0.437 29.352 29.762 0.046 0.000 1.376 139 H HN 0.226 nan 8.280 nan 0.000 0.531 140 A N 1.491 123.949 122.820 -0.603 0.000 1.948 140 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 140 A C 2.608 180.109 177.584 -0.138 0.000 1.177 140 A CA 2.154 53.970 52.037 -0.368 0.000 0.636 140 A CB -0.615 18.207 19.000 -0.297 0.000 0.815 140 A HN 0.529 nan 8.150 nan 0.000 0.449 141 R N -1.800 118.643 120.500 -0.096 0.000 2.369 141 R HA 0.258 4.598 4.340 -0.000 0.000 0.210 141 R C -0.670 175.614 176.300 -0.026 0.000 0.881 141 R CA 0.274 56.346 56.100 -0.046 0.000 1.031 141 R CB 0.624 30.902 30.300 -0.037 0.000 1.184 141 R HN 0.257 nan 8.270 nan 0.000 0.581 142 V N 1.376 121.278 119.914 -0.019 0.000 2.532 142 V HA 0.319 4.439 4.120 -0.000 0.000 0.295 142 V C -0.257 175.840 176.094 0.005 0.000 1.041 142 V CA -0.561 61.731 62.300 -0.013 0.000 0.926 142 V CB 1.788 33.599 31.823 -0.019 0.000 0.992 142 V HN 0.071 nan 8.190 nan 0.000 0.457 143 T N 3.957 118.505 114.554 -0.011 0.000 2.781 143 T HA 0.414 4.764 4.350 -0.000 0.000 0.305 143 T C -0.441 174.241 174.700 -0.030 0.000 1.001 143 T CA -0.086 62.013 62.100 -0.002 0.000 0.950 143 T CB 1.156 70.030 68.868 0.010 0.000 0.955 143 T HN 0.496 nan 8.240 nan 0.000 0.471 144 V N 5.237 125.128 119.914 -0.038 0.000 2.483 144 V HA 0.738 4.858 4.120 -0.000 0.000 0.295 144 V C -0.895 175.148 176.094 -0.084 0.000 1.035 144 V CA -0.456 61.795 62.300 -0.081 0.000 0.896 144 V CB 1.524 33.279 31.823 -0.114 0.000 0.986 144 V HN 0.644 nan 8.190 nan 0.000 0.447 145 V N 6.508 126.361 119.914 -0.102 0.000 2.447 145 V HA 0.287 4.407 4.120 -0.000 0.000 0.292 145 V C 0.361 176.382 176.094 -0.122 0.000 1.021 145 V CA -0.294 61.950 62.300 -0.093 0.000 0.850 145 V CB 1.217 32.995 31.823 -0.075 0.000 1.005 145 V HN 1.102 nan 8.190 nan 0.000 0.426 146 C N 1.104 120.281 119.300 -0.205 0.000 2.742 146 C HA 0.646 5.105 4.460 -0.000 0.000 0.283 146 C C 0.148 174.932 174.990 -0.343 0.000 1.451 146 C CA -0.530 58.287 59.018 -0.336 0.000 1.785 146 C CB -1.399 25.980 27.740 -0.601 0.000 2.664 146 C HN 0.847 nan 8.230 nan 0.000 0.544 147 E N 0.786 120.852 120.200 -0.223 0.000 2.294 147 E HA 0.241 4.591 4.350 -0.000 0.000 0.272 147 E C -2.220 174.164 176.600 -0.359 0.000 0.896 147 E CA -1.365 54.899 56.400 -0.228 0.000 0.802 147 E CB 2.367 31.970 29.700 -0.161 0.000 1.267 147 E HN -0.098 nan 8.360 nan 0.000 0.406 148 P HA -0.265 nan 4.420 nan 0.000 0.215 148 P C 1.399 178.274 177.300 -0.709 0.000 1.157 148 P CA 2.086 64.544 63.100 -1.071 0.000 0.874 148 P CB 0.318 31.619 31.700 -0.666 0.000 0.790 149 E N 0.252 120.244 120.200 -0.346 0.000 2.208 149 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 149 E C 1.632 178.157 176.600 -0.124 0.000 1.014 149 E CA 1.926 58.214 56.400 -0.187 0.000 0.819 149 E CB -1.757 27.874 29.700 -0.116 0.000 0.735 149 E HN 0.391 nan 8.360 nan 0.000 0.469 150 D N -1.310 119.015 120.400 -0.125 0.000 2.363 150 D HA -0.026 4.613 4.640 -0.000 0.000 0.220 150 D C 1.343 177.667 176.300 0.041 0.000 0.994 150 D CA 0.275 54.256 54.000 -0.032 0.000 0.890 150 D CB -0.094 40.687 40.800 -0.033 0.000 0.906 150 D HN 0.515 nan 8.370 nan 0.000 0.530 151 Y N 1.664 121.803 120.300 -0.268 0.000 2.053 151 Y HA -0.248 4.302 4.550 -0.000 0.000 0.277 151 Y C 2.831 178.724 175.900 -0.012 0.000 1.159 151 Y CA 0.404 58.271 58.100 -0.389 0.000 1.125 151 Y CB -1.265 36.960 38.460 -0.392 0.000 0.969 151 Y HN -0.072 nan 8.280 nan 0.000 0.492 152 V N -0.076 119.954 119.914 0.193 0.000 2.231 152 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 152 V C 2.546 178.718 176.094 0.130 0.000 1.054 152 V CA 3.237 65.631 62.300 0.157 0.000 1.015 152 V CB -1.379 30.502 31.823 0.096 0.000 0.638 152 V HN 0.212 nan 8.190 nan 0.000 0.444 153 V N -0.363 119.604 119.914 0.089 0.000 2.313 153 V HA -0.322 3.798 4.120 -0.000 0.000 0.253 153 V C 2.515 178.664 176.094 0.092 0.000 1.070 153 V CA 2.227 64.570 62.300 0.071 0.000 1.057 153 V CB -0.613 31.237 31.823 0.045 0.000 0.653 153 V HN 0.555 nan 8.190 nan 0.000 0.450 154 V N 0.552 120.544 119.914 0.130 0.000 2.283 154 V HA -0.185 3.935 4.120 -0.000 0.000 0.243 154 V C 2.616 178.815 176.094 0.174 0.000 1.039 154 V CA 2.058 64.454 62.300 0.160 0.000 1.016 154 V CB -0.591 31.363 31.823 0.217 0.000 0.650 154 V HN 0.755 nan 8.190 nan 0.000 0.449 155 S N -0.369 115.478 115.700 0.246 0.000 2.370 155 S HA -0.266 4.204 4.470 -0.000 0.000 0.226 155 S C 1.964 176.614 174.600 0.085 0.000 1.033 155 S CA 2.055 60.341 58.200 0.143 0.000 1.011 155 S CB -1.029 62.268 63.200 0.161 0.000 0.852 155 S HN 0.570 nan 8.310 nan 0.000 0.457 156 T N 2.224 116.833 114.554 0.093 0.000 2.635 156 T HA -0.179 4.170 4.350 -0.000 0.000 0.267 156 T C 1.821 176.550 174.700 0.048 0.000 1.040 156 T CA 1.804 63.941 62.100 0.062 0.000 1.156 156 T CB -0.516 68.388 68.868 0.060 0.000 0.863 156 T HN 0.699 nan 8.240 nan 0.000 0.430 157 E N 0.365 120.597 120.200 0.054 0.000 2.077 157 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 157 E C 2.249 178.869 176.600 0.033 0.000 0.989 157 E CA 1.076 57.501 56.400 0.041 0.000 0.800 157 E CB -0.157 29.570 29.700 0.045 0.000 0.746 157 E HN 0.493 nan 8.360 nan 0.000 0.452 158 M N 0.147 119.769 119.600 0.037 0.000 2.086 158 M HA -0.200 4.280 4.480 -0.000 0.000 0.261 158 M C 2.402 178.707 176.300 0.009 0.000 1.067 158 M CA 1.622 56.933 55.300 0.018 0.000 1.116 158 M CB -0.311 32.294 32.600 0.009 0.000 1.348 158 M HN 0.130 nan 8.290 nan 0.000 0.407 159 Q N -0.205 119.603 119.800 0.013 0.000 2.135 159 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 159 Q C 0.967 176.972 176.000 0.009 0.000 0.981 159 Q CA 1.338 57.146 55.803 0.008 0.000 0.856 159 Q CB -0.110 28.637 28.738 0.014 0.000 0.902 159 Q HN 0.394 nan 8.270 nan 0.000 0.425 160 S N -0.142 115.566 115.700 0.014 0.000 2.526 160 S HA 0.337 4.807 4.470 -0.000 0.000 0.247 160 S C 0.015 174.621 174.600 0.011 0.000 1.076 160 S CA -0.104 58.104 58.200 0.013 0.000 1.105 160 S CB 0.441 63.650 63.200 0.016 0.000 0.793 160 S HN 0.322 nan 8.310 nan 0.000 0.458 161 S N 0.455 116.160 115.700 0.008 0.000 2.541 161 S HA 0.705 5.175 4.470 -0.000 0.000 0.280 161 S C 0.793 175.395 174.600 0.004 0.000 1.112 161 S CA -0.271 57.934 58.200 0.007 0.000 0.925 161 S CB 0.714 63.919 63.200 0.009 0.000 1.067 161 S HN 0.205 nan 8.310 nan 0.000 0.479 162 E N 0.792 120.994 120.200 0.003 0.000 2.171 162 E HA -0.140 4.210 4.350 -0.000 0.000 0.197 162 E C 2.002 178.602 176.600 -0.001 0.000 0.997 162 E CA 2.383 58.784 56.400 0.001 0.000 0.810 162 E CB -0.951 28.750 29.700 0.002 0.000 0.738 162 E HN 1.319 nan 8.360 nan 0.000 0.467 163 S N -1.887 113.813 115.700 -0.000 0.000 2.528 163 S HA 0.330 4.800 4.470 -0.000 0.000 0.219 163 S C 1.842 176.439 174.600 -0.006 0.000 0.985 163 S CA 1.553 59.752 58.200 -0.002 0.000 0.914 163 S CB 0.165 63.365 63.200 -0.001 0.000 0.776 163 S HN 1.587 nan 8.310 nan 0.000 0.526 164 K N -1.012 119.385 120.400 -0.005 0.000 3.209 164 K HA -0.117 4.202 4.320 -0.000 0.000 0.289 164 K C -0.118 176.476 176.600 -0.011 0.000 1.191 164 K CA 1.959 58.240 56.287 -0.010 0.000 0.851 164 K CB -2.913 29.578 32.500 -0.016 0.000 1.242 164 K HN 1.304 nan 8.250 nan 0.000 0.480 165 D N -0.549 119.849 120.400 -0.004 0.000 2.423 165 D HA 0.789 5.429 4.640 -0.000 0.000 0.235 165 D C 0.626 176.932 176.300 0.009 0.000 1.011 165 D CA 0.216 54.215 54.000 -0.002 0.000 0.963 165 D CB 1.061 41.859 40.800 -0.003 0.000 1.349 165 D HN 1.157 nan 8.370 nan 0.000 0.508 166 T N -2.262 112.301 114.554 0.015 0.000 2.732 166 T HA 0.522 4.871 4.350 -0.000 0.000 0.287 166 T C 0.930 175.644 174.700 0.024 0.000 0.993 166 T CA 0.191 62.307 62.100 0.026 0.000 0.966 166 T CB 0.757 69.645 68.868 0.035 0.000 1.047 166 T HN 0.960 nan 8.240 nan 0.000 0.527 167 S N -0.157 115.561 115.700 0.030 0.000 2.730 167 S HA 0.414 4.884 4.470 -0.000 0.000 0.284 167 S C 0.982 175.606 174.600 0.039 0.000 1.153 167 S CA -0.929 57.288 58.200 0.029 0.000 0.995 167 S CB 0.902 64.120 63.200 0.029 0.000 1.058 167 S HN 0.633 nan 8.310 nan 0.000 0.552 168 L N 0.565 121.812 121.223 0.041 0.000 2.093 168 L HA 0.073 4.413 4.340 -0.000 0.000 0.208 168 L C 2.498 179.417 176.870 0.082 0.000 1.085 168 L CA 1.821 56.697 54.840 0.060 0.000 0.755 168 L CB -1.194 40.894 42.059 0.048 0.000 0.904 168 L HN 0.855 nan 8.230 nan 0.000 0.435 169 E N -0.417 119.819 120.200 0.059 0.000 2.038 169 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 169 E C 2.074 178.706 176.600 0.053 0.000 1.000 169 E CA 2.032 58.464 56.400 0.054 0.000 0.803 169 E CB -0.450 29.274 29.700 0.039 0.000 0.750 169 E HN 0.518 nan 8.360 nan 0.000 0.448 170 T N 1.190 115.772 114.554 0.047 0.000 2.665 170 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 170 T C 1.936 176.665 174.700 0.049 0.000 1.035 170 T CA 1.527 63.652 62.100 0.042 0.000 1.151 170 T CB -0.178 68.715 68.868 0.041 0.000 0.862 170 T HN 0.198 nan 8.240 nan 0.000 0.438 171 R N 0.658 121.202 120.500 0.073 0.000 2.105 171 R HA -0.044 4.296 4.340 -0.000 0.000 0.239 171 R C 2.717 179.075 176.300 0.096 0.000 1.135 171 R CA 1.073 57.234 56.100 0.102 0.000 0.967 171 R CB -0.222 30.166 30.300 0.147 0.000 0.861 171 R HN 0.401 nan 8.270 nan 0.000 0.442 172 R N 0.219 120.775 120.500 0.094 0.000 2.081 172 R HA -0.148 4.191 4.340 -0.000 0.000 0.235 172 R C 2.613 178.880 176.300 -0.053 0.000 1.131 172 R CA 1.844 57.916 56.100 -0.046 0.000 0.960 172 R CB -0.871 29.437 30.300 0.013 0.000 0.856 172 R HN 0.406 nan 8.270 nan 0.000 0.436 173 Q N 1.521 121.319 119.800 -0.003 0.000 2.079 173 Q HA 0.013 4.352 4.340 -0.000 0.000 0.200 173 Q C 2.319 178.315 176.000 -0.006 0.000 0.974 173 Q CA 1.234 57.037 55.803 -0.000 0.000 0.840 173 Q CB -0.735 28.010 28.738 0.011 0.000 0.898 173 Q HN 0.383 nan 8.270 nan 0.000 0.430 174 L N -0.138 121.082 121.223 -0.005 0.000 2.027 174 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 174 L C 3.061 179.907 176.870 -0.040 0.000 1.074 174 L CA 1.078 55.907 54.840 -0.019 0.000 0.745 174 L CB -0.634 41.420 42.059 -0.009 0.000 0.898 174 L HN 0.531 nan 8.230 nan 0.000 0.433 175 A N 0.214 123.009 122.820 -0.042 0.000 1.933 175 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 175 A C 2.209 179.809 177.584 0.027 0.000 1.175 175 A CA 1.750 53.752 52.037 -0.059 0.000 0.628 175 A CB -0.660 18.257 19.000 -0.138 0.000 0.814 175 A HN 0.366 nan 8.150 nan 0.000 0.444 176 L N -0.351 120.887 121.223 0.025 0.000 2.093 176 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 176 L C 2.149 179.072 176.870 0.088 0.000 1.085 176 L CA 2.551 57.441 54.840 0.083 0.000 0.755 176 L CB -0.481 41.597 42.059 0.031 0.000 0.904 176 L HN 0.402 nan 8.230 nan 0.000 0.435 177 K N -0.567 119.854 120.400 0.035 0.000 2.025 177 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 177 K C 2.086 178.705 176.600 0.032 0.000 1.049 177 K CA 1.217 57.523 56.287 0.033 0.000 0.933 177 K CB -0.288 32.207 32.500 -0.008 0.000 0.714 177 K HN 0.456 nan 8.250 nan 0.000 0.438 178 A N 0.630 123.416 122.820 -0.056 0.000 1.892 178 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 178 A C 1.958 179.500 177.584 -0.071 0.000 1.188 178 A CA 1.552 53.505 52.037 -0.139 0.000 0.631 178 A CB -0.873 17.954 19.000 -0.289 0.000 0.822 178 A HN 0.348 nan 8.150 nan 0.000 0.447 179 F N 0.632 120.597 119.950 0.026 0.000 2.234 179 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 179 F C 2.716 178.545 175.800 0.049 0.000 1.087 179 F CA 1.723 59.742 58.000 0.031 0.000 1.340 179 F CB -0.901 38.103 39.000 0.006 0.000 1.031 179 F HN 0.160 nan 8.300 nan 0.000 0.500 180 T N -2.237 112.456 114.554 0.232 0.000 2.904 180 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 180 T C 1.693 176.484 174.700 0.152 0.000 1.059 180 T CA 1.568 63.764 62.100 0.160 0.000 1.137 180 T CB -0.461 68.481 68.868 0.122 0.000 0.879 180 T HN 0.297 nan 8.240 nan 0.000 0.467 181 H N 1.490 120.592 119.070 0.055 0.000 2.293 181 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 181 H C 2.475 177.838 175.328 0.058 0.000 1.082 181 H CA 2.266 58.333 56.048 0.031 0.000 1.308 181 H CB -0.273 29.468 29.762 -0.034 0.000 1.375 181 H HN 0.415 nan 8.280 nan 0.000 0.495 182 T N -2.271 112.377 114.554 0.158 0.000 2.995 182 T HA 0.038 4.387 4.350 -0.000 0.000 0.269 182 T C 2.140 176.931 174.700 0.151 0.000 1.091 182 T CA 0.738 62.915 62.100 0.129 0.000 1.128 182 T CB -0.444 68.487 68.868 0.106 0.000 0.891 182 T HN 0.408 nan 8.240 nan 0.000 0.492 183 A N 1.483 124.388 122.820 0.140 0.000 1.872 183 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 183 A C 2.577 180.206 177.584 0.073 0.000 1.187 183 A CA 0.952 53.053 52.037 0.106 0.000 0.614 183 A CB -0.580 18.479 19.000 0.098 0.000 0.826 183 A HN 0.367 nan 8.150 nan 0.000 0.442 184 Q N -1.593 118.242 119.800 0.058 0.000 2.124 184 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 184 Q C 1.894 177.924 176.000 0.049 0.000 0.977 184 Q CA 1.608 57.430 55.803 0.032 0.000 0.850 184 Q CB -0.535 28.201 28.738 -0.002 0.000 0.901 184 Q HN 0.809 nan 8.270 nan 0.000 0.429 185 Y N 1.938 122.180 120.300 -0.096 0.000 2.114 185 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 185 Y C 1.871 177.721 175.900 -0.083 0.000 1.143 185 Y CA 1.719 59.764 58.100 -0.092 0.000 1.135 185 Y CB -0.073 38.328 38.460 -0.099 0.000 0.980 185 Y HN 0.100 nan 8.280 nan 0.000 0.499 186 D N -0.481 119.951 120.400 0.054 0.000 2.269 186 D HA -0.126 4.514 4.640 -0.000 0.000 0.208 186 D C 1.877 178.147 176.300 -0.049 0.000 0.963 186 D CA 1.027 55.006 54.000 -0.035 0.000 0.864 186 D CB 0.032 40.858 40.800 0.044 0.000 0.936 186 D HN 0.414 nan 8.370 nan 0.000 0.505 187 E N 0.824 121.013 120.200 -0.018 0.000 2.158 187 E HA -0.013 4.336 4.350 -0.000 0.000 0.191 187 E C 1.795 178.379 176.600 -0.026 0.000 0.982 187 E CA 0.982 57.377 56.400 -0.009 0.000 0.823 187 E CB -0.108 29.599 29.700 0.011 0.000 0.766 187 E HN 0.119 nan 8.360 nan 0.000 0.468 188 A N 0.544 123.338 122.820 -0.043 0.000 1.872 188 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 188 A C 2.319 179.917 177.584 0.024 0.000 1.187 188 A CA 1.191 53.231 52.037 0.006 0.000 0.614 188 A CB -0.631 18.392 19.000 0.038 0.000 0.826 188 A HN 0.307 nan 8.150 nan 0.000 0.442 189 I N 0.835 121.255 120.570 -0.250 0.000 2.099 189 I HA -0.303 3.867 4.170 -0.000 0.000 0.239 189 I C 2.955 179.121 176.117 0.082 0.000 1.066 189 I CA 1.911 62.975 61.300 -0.392 0.000 1.324 189 I CB -0.400 37.229 38.000 -0.619 0.000 1.037 189 I HN 0.513 nan 8.210 nan 0.000 0.401 190 S N 0.031 115.774 115.700 0.072 0.000 2.419 190 S HA -0.264 4.206 4.470 -0.000 0.000 0.233 190 S C 1.655 176.302 174.600 0.079 0.000 1.016 190 S CA 1.629 59.913 58.200 0.140 0.000 0.974 190 S CB -0.539 62.697 63.200 0.060 0.000 0.786 190 S HN 0.501 nan 8.310 nan 0.000 0.492 191 D N 0.659 121.066 120.400 0.011 0.000 2.117 191 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 191 D C 1.751 178.032 176.300 -0.033 0.000 0.987 191 D CA 1.391 55.345 54.000 -0.077 0.000 0.829 191 D CB -0.521 40.226 40.800 -0.088 0.000 0.961 191 D HN 0.594 nan 8.370 nan 0.000 0.460 192 Y N -0.497 119.745 120.300 -0.097 0.000 2.220 192 Y HA -0.087 4.463 4.550 -0.000 0.000 0.291 192 Y C 1.763 177.481 175.900 -0.303 0.000 1.129 192 Y CA 1.409 59.392 58.100 -0.194 0.000 1.161 192 Y CB -0.480 37.879 38.460 -0.168 0.000 0.997 192 Y HN -0.091 nan 8.280 nan 0.000 0.522 193 F N 0.480 120.391 119.950 -0.066 0.000 2.293 193 F HA -0.067 4.460 4.527 -0.000 0.000 0.300 193 F C 2.625 178.252 175.800 -0.289 0.000 1.086 193 F CA 1.558 59.388 58.000 -0.284 0.000 1.375 193 F CB -0.486 38.514 39.000 -0.000 0.000 1.045 193 F HN -0.013 nan 8.300 nan 0.000 0.516 194 R N 0.415 120.904 120.500 -0.018 0.000 2.148 194 R HA -0.082 4.258 4.340 -0.000 0.000 0.223 194 R C 1.885 178.115 176.300 -0.116 0.000 1.088 194 R CA 1.067 57.148 56.100 -0.032 0.000 0.985 194 R CB 0.028 30.298 30.300 -0.050 0.000 0.880 194 R HN 0.182 nan 8.270 nan 0.000 0.451 195 K N -0.645 119.616 120.400 -0.231 0.000 2.186 195 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 195 K C 2.093 178.507 176.600 -0.309 0.000 1.052 195 K CA 0.540 56.685 56.287 -0.236 0.000 0.965 195 K CB 0.217 32.571 32.500 -0.243 0.000 0.746 195 K HN 0.080 nan 8.250 nan 0.000 0.457 196 Q N -0.142 119.323 119.800 -0.558 0.000 2.020 196 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 196 Q C 1.788 177.631 176.000 -0.262 0.000 0.974 196 Q CA 1.676 57.109 55.803 -0.618 0.000 0.829 196 Q CB -0.162 27.850 28.738 -1.210 0.000 0.894 196 Q HN 0.409 nan 8.270 nan 0.000 0.433 197 Y N -0.861 119.406 120.300 -0.055 0.000 2.503 197 Y HA 0.247 4.797 4.550 -0.000 0.000 0.277 197 Y C 1.756 177.648 175.900 -0.013 0.000 1.102 197 Y CA -0.160 57.936 58.100 -0.007 0.000 1.261 197 Y CB 0.122 38.609 38.460 0.044 0.000 1.096 197 Y HN -0.091 nan 8.280 nan 0.000 0.546 198 S N 0.154 115.920 115.700 0.109 0.000 2.561 198 S HA 0.116 4.586 4.470 -0.000 0.000 0.245 198 S C 0.406 175.019 174.600 0.023 0.000 1.001 198 S CA -0.513 57.726 58.200 0.065 0.000 1.002 198 S CB -0.399 62.839 63.200 0.063 0.000 0.805 198 S HN 0.194 nan 8.310 nan 0.000 0.458 199 K N 0.855 121.259 120.400 0.006 0.000 2.447 199 K HA 0.266 4.586 4.320 -0.000 0.000 0.281 199 K C 1.124 177.721 176.600 -0.006 0.000 1.031 199 K CA 1.159 57.440 56.287 -0.010 0.000 1.019 199 K CB -0.133 32.353 32.500 -0.022 0.000 0.918 199 K HN 0.293 nan 8.250 nan 0.000 0.476 200 G N 2.198 110.991 108.800 -0.012 0.000 2.179 200 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 200 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 200 G C 0.401 175.291 174.900 -0.018 0.000 0.977 200 G CA 0.317 45.405 45.100 -0.019 0.000 0.641 200 G HN 0.482 nan 8.290 nan 0.000 0.533 201 V N 0.133 120.043 119.914 -0.007 0.000 2.950 201 V HA 0.290 4.410 4.120 -0.000 0.000 0.231 201 V C 2.171 178.263 176.094 -0.004 0.000 1.205 201 V CA 2.200 64.496 62.300 -0.006 0.000 1.239 201 V CB 0.547 32.374 31.823 0.007 0.000 1.050 201 V HN 0.993 nan 8.190 nan 0.000 0.498 202 S N -1.409 114.300 115.700 0.015 0.000 2.666 202 S HA 0.291 4.761 4.470 -0.000 0.000 0.239 202 S C 0.333 174.971 174.600 0.063 0.000 1.031 202 S CA -0.212 58.007 58.200 0.032 0.000 1.015 202 S CB 0.589 63.819 63.200 0.049 0.000 0.981 202 S HN 0.419 nan 8.310 nan 0.000 0.547 203 Q N 0.949 120.775 119.800 0.042 0.000 2.416 203 Q HA 0.587 4.926 4.340 -0.000 0.000 0.281 203 Q C -2.052 173.962 176.000 0.023 0.000 1.067 203 Q CA -0.518 55.320 55.803 0.060 0.000 0.809 203 Q CB 2.298 31.048 28.738 0.020 0.000 1.418 203 Q HN 0.522 nan 8.270 nan 0.000 0.411 204 M N 4.230 123.847 119.600 0.029 0.000 2.215 204 M HA 0.400 4.879 4.480 -0.000 0.000 0.251 204 M C -2.730 173.573 176.300 0.004 0.000 0.987 204 M CA -1.427 53.871 55.300 -0.003 0.000 1.025 204 M CB 2.196 34.779 32.600 -0.028 0.000 2.064 204 M HN 0.213 nan 8.290 nan 0.000 0.473 205 P HA 0.251 nan 4.420 nan 0.000 0.269 205 P C -1.301 175.993 177.300 -0.010 0.000 1.209 205 P CA 0.026 63.127 63.100 0.002 0.000 0.776 205 P CB 0.576 32.272 31.700 -0.008 0.000 0.876 206 L N 3.097 124.322 121.223 0.003 0.000 2.334 206 L HA 0.445 4.785 4.340 -0.000 0.000 0.273 206 L C 1.806 178.641 176.870 -0.058 0.000 1.013 206 L CA -0.833 53.990 54.840 -0.029 0.000 0.816 206 L CB 1.445 43.513 42.059 0.015 0.000 1.278 206 L HN 0.338 nan 8.230 nan 0.000 0.431 207 R N 1.313 121.712 120.500 -0.168 0.000 2.119 207 R HA -0.139 4.201 4.340 -0.000 0.000 0.246 207 R C -0.553 175.661 176.300 -0.143 0.000 1.146 207 R CA 1.899 57.856 56.100 -0.239 0.000 0.962 207 R CB -0.333 29.675 30.300 -0.486 0.000 0.863 207 R HN 0.634 nan 8.270 nan 0.000 0.442 208 Y N -4.604 115.723 120.300 0.045 0.000 2.895 208 Y HA 0.540 5.090 4.550 -0.000 0.000 0.339 208 Y C 0.242 176.176 175.900 0.057 0.000 1.363 208 Y CA -1.144 56.973 58.100 0.029 0.000 1.085 208 Y CB 0.030 38.487 38.460 -0.006 0.000 1.500 208 Y HN -0.077 nan 8.280 nan 0.000 0.442 209 G N 0.233 109.186 108.800 0.254 0.000 2.873 209 G HA2 0.256 4.215 3.960 -0.000 0.000 0.170 209 G HA3 0.256 4.215 3.960 -0.000 0.000 0.170 209 G C 0.544 175.441 174.900 -0.005 0.000 1.608 209 G CA -0.000 45.114 45.100 0.023 0.000 1.084 209 G HN 0.728 nan 8.290 nan 0.000 0.563 210 M N 0.019 119.394 119.600 -0.374 0.000 2.144 210 M HA 0.008 4.488 4.480 -0.000 0.000 0.260 210 M C 0.451 176.725 176.300 -0.044 0.000 1.067 210 M CA 1.284 56.476 55.300 -0.180 0.000 1.095 210 M CB -0.221 32.227 32.600 -0.252 0.000 1.365 210 M HN 0.358 nan 8.290 nan 0.000 0.406 211 N N -2.496 116.084 118.700 -0.200 0.000 2.571 211 N HA 0.271 5.010 4.740 -0.000 0.000 0.273 211 N C -2.380 172.780 175.510 -0.584 0.000 1.340 211 N CA -1.235 51.620 53.050 -0.327 0.000 0.789 211 N CB 0.963 39.237 38.487 -0.355 0.000 1.514 211 N HN -0.297 nan 8.380 nan 0.000 0.499 212 P HA -0.172 nan 4.420 nan 0.000 0.216 212 P C 1.044 178.143 177.300 -0.335 0.000 1.153 212 P CA 1.598 64.177 63.100 -0.869 0.000 0.858 212 P CB -0.089 31.266 31.700 -0.575 0.000 0.789 213 H N -1.700 117.260 119.070 -0.184 0.000 2.555 213 H HA 0.110 4.665 4.556 -0.000 0.000 0.269 213 H C 0.270 175.565 175.328 -0.054 0.000 0.988 213 H CA 0.377 56.372 56.048 -0.089 0.000 1.178 213 H CB -0.629 29.091 29.762 -0.070 0.000 1.373 213 H HN 0.239 nan 8.280 nan 0.000 0.588 214 Q N 1.817 121.369 119.800 -0.413 0.000 2.673 214 Q HA 0.246 4.586 4.340 -0.000 0.000 0.224 214 Q C -0.576 175.378 176.000 -0.077 0.000 1.226 214 Q CA -0.210 55.453 55.803 -0.234 0.000 1.019 214 Q CB 1.159 29.694 28.738 -0.339 0.000 1.312 214 Q HN 0.240 nan 8.270 nan 0.000 0.566 215 T N 1.021 115.570 114.554 -0.008 0.000 2.903 215 T HA 0.643 4.993 4.350 -0.000 0.000 0.299 215 T C -2.457 172.265 174.700 0.037 0.000 1.093 215 T CA -1.460 60.666 62.100 0.044 0.000 1.002 215 T CB 1.365 70.278 68.868 0.076 0.000 1.127 215 T HN 0.331 nan 8.240 nan 0.000 0.488 216 P HA 0.733 nan 4.420 nan 0.000 0.284 216 P C -1.523 175.823 177.300 0.078 0.000 1.258 216 P CA -0.652 62.484 63.100 0.060 0.000 0.824 216 P CB 1.379 33.105 31.700 0.043 0.000 1.038 217 A N 1.829 124.711 122.820 0.104 0.000 2.356 217 A HA 0.673 4.993 4.320 -0.000 0.000 0.323 217 A C -0.428 177.239 177.584 0.138 0.000 1.119 217 A CA -0.517 51.614 52.037 0.157 0.000 0.790 217 A CB 1.442 20.578 19.000 0.226 0.000 1.273 217 A HN 0.744 nan 8.150 nan 0.000 0.452 218 Q N 0.129 120.033 119.800 0.173 0.000 2.511 218 Q HA 0.757 5.097 4.340 -0.000 0.000 0.289 218 Q C -1.995 174.095 176.000 0.151 0.000 1.021 218 Q CA -0.887 55.001 55.803 0.142 0.000 0.785 218 Q CB 1.640 30.464 28.738 0.144 0.000 1.472 218 Q HN 0.758 nan 8.270 nan 0.000 0.411 219 L N 2.356 123.639 121.223 0.099 0.000 2.362 219 L HA 0.736 5.076 4.340 -0.000 0.000 0.275 219 L C -1.805 175.134 176.870 0.114 0.000 0.998 219 L CA -0.381 54.466 54.840 0.012 0.000 0.820 219 L CB 1.625 43.638 42.059 -0.076 0.000 1.270 219 L HN 0.772 nan 8.230 nan 0.000 0.415 220 Y N 1.174 121.452 120.300 -0.038 0.000 2.670 220 Y HA 0.849 5.398 4.550 -0.000 0.000 0.334 220 Y C -0.972 174.913 175.900 -0.025 0.000 1.185 220 Y CA -0.777 57.306 58.100 -0.029 0.000 1.053 220 Y CB 1.438 39.893 38.460 -0.007 0.000 1.298 220 Y HN 0.686 nan 8.280 nan 0.000 0.459 221 T N 0.565 115.239 114.554 0.200 0.000 2.883 221 T HA 0.457 4.807 4.350 -0.000 0.000 0.296 221 T C -0.341 174.484 174.700 0.208 0.000 1.117 221 T CA -0.875 61.284 62.100 0.098 0.000 1.006 221 T CB 1.331 70.207 68.868 0.013 0.000 1.191 221 T HN 0.846 nan 8.240 nan 0.000 0.508 222 L N 1.277 122.592 121.223 0.154 0.000 2.567 222 L HA 0.236 4.576 4.340 -0.000 0.000 0.225 222 L C 1.156 178.082 176.870 0.094 0.000 1.119 222 L CA -0.092 54.832 54.840 0.139 0.000 0.871 222 L CB -0.041 42.091 42.059 0.121 0.000 1.036 222 L HN 0.515 nan 8.230 nan 0.000 0.459 223 Q N 0.304 120.156 119.800 0.086 0.000 2.471 223 Q HA 0.091 4.431 4.340 -0.000 0.000 0.223 223 Q C -1.336 174.697 176.000 0.055 0.000 1.045 223 Q CA -1.351 54.495 55.803 0.070 0.000 0.956 223 Q CB 0.032 28.819 28.738 0.082 0.000 1.249 223 Q HN -0.094 nan 8.270 nan 0.000 0.549 224 P HA -0.048 nan 4.420 nan 0.000 0.219 224 P C -0.186 177.128 177.300 0.023 0.000 1.150 224 P CA 1.397 64.516 63.100 0.032 0.000 0.814 224 P CB 0.421 32.136 31.700 0.025 0.000 0.787 225 K N -0.703 119.705 120.400 0.014 0.000 2.498 225 K HA 0.302 4.622 4.320 -0.000 0.000 0.254 225 K C -0.955 175.619 176.600 -0.043 0.000 0.933 225 K CA -0.828 55.454 56.287 -0.009 0.000 0.806 225 K CB 1.351 33.843 32.500 -0.012 0.000 1.301 225 K HN -0.162 nan 8.250 nan 0.000 0.432 226 L N 5.006 126.189 121.223 -0.067 0.000 2.483 226 L HA 0.125 4.465 4.340 -0.000 0.000 0.276 226 L C -1.202 175.549 176.870 -0.198 0.000 1.213 226 L CA -1.092 53.666 54.840 -0.137 0.000 0.843 226 L CB 0.819 42.806 42.059 -0.120 0.000 1.107 226 L HN 0.668 nan 8.230 nan 0.000 0.487 227 P HA -0.013 nan 4.420 nan 0.000 0.227 227 P C 0.276 177.400 177.300 -0.293 0.000 1.161 227 P CA 0.899 63.772 63.100 -0.379 0.000 0.788 227 P CB 0.665 31.855 31.700 -0.851 0.000 0.822 228 I N 0.706 121.106 120.570 -0.282 0.000 2.577 228 I HA 0.346 4.516 4.170 -0.000 0.000 0.305 228 I C -0.580 175.440 176.117 -0.162 0.000 0.986 228 I CA -0.522 60.635 61.300 -0.238 0.000 1.189 228 I CB 1.970 39.821 38.000 -0.249 0.000 1.355 228 I HN -0.125 nan 8.210 nan 0.000 0.476 229 T N 3.454 117.928 114.554 -0.132 0.000 2.912 229 T HA 0.514 4.864 4.350 -0.000 0.000 0.299 229 T C -0.803 173.854 174.700 -0.072 0.000 1.052 229 T CA -0.722 61.324 62.100 -0.090 0.000 0.996 229 T CB 1.504 70.330 68.868 -0.071 0.000 1.070 229 T HN 0.233 nan 8.240 nan 0.000 0.465 230 V N 4.095 123.968 119.914 -0.068 0.000 2.406 230 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 230 V C 0.834 176.887 176.094 -0.069 0.000 1.043 230 V CA -0.476 61.783 62.300 -0.068 0.000 0.915 230 V CB 0.764 32.546 31.823 -0.068 0.000 0.988 230 V HN 0.899 nan 8.190 nan 0.000 0.466 231 L N 3.560 124.730 121.223 -0.088 0.000 2.638 231 L HA 0.404 4.743 4.340 -0.000 0.000 0.232 231 L C 0.575 177.379 176.870 -0.111 0.000 1.099 231 L CA 0.328 55.107 54.840 -0.101 0.000 0.883 231 L CB 0.186 42.159 42.059 -0.142 0.000 1.136 231 L HN 0.744 nan 8.230 nan 0.000 0.492 232 N N -1.319 117.313 118.700 -0.113 0.000 2.859 232 N HA 0.496 5.236 4.740 -0.000 0.000 0.250 232 N C -0.108 175.347 175.510 -0.093 0.000 1.341 232 N CA 0.465 53.458 53.050 -0.096 0.000 0.881 232 N CB 1.420 39.847 38.487 -0.100 0.000 1.516 232 N HN 0.094 nan 8.380 nan 0.000 0.503 233 G N 0.625 109.384 108.800 -0.070 0.000 2.633 233 G HA2 0.329 4.289 3.960 -0.000 0.000 0.263 233 G HA3 0.329 4.289 3.960 -0.000 0.000 0.263 233 G C -0.645 174.212 174.900 -0.071 0.000 1.310 233 G CA 0.069 45.127 45.100 -0.070 0.000 0.914 233 G HN 1.463 nan 8.290 nan 0.000 0.569 234 A N 0.349 123.123 122.820 -0.075 0.000 2.604 234 A HA 0.748 5.068 4.320 -0.000 0.000 0.285 234 A C -1.797 175.733 177.584 -0.091 0.000 1.095 234 A CA 0.058 52.048 52.037 -0.077 0.000 0.842 234 A CB 1.535 20.492 19.000 -0.072 0.000 1.385 234 A HN 1.011 nan 8.150 nan 0.000 0.404 235 P HA 0.281 nan 4.420 nan 0.000 0.269 235 P C 0.499 177.728 177.300 -0.119 0.000 1.211 235 P CA 0.574 63.625 63.100 -0.081 0.000 0.781 235 P CB 1.051 32.701 31.700 -0.083 0.000 0.877 236 G N -0.007 108.722 108.800 -0.119 0.000 2.820 236 G HA2 0.307 4.267 3.960 -0.000 0.000 0.291 236 G HA3 0.307 4.267 3.960 -0.000 0.000 0.291 236 G C 0.080 174.974 174.900 -0.009 0.000 1.323 236 G CA -0.758 44.262 45.100 -0.133 0.000 1.055 236 G HN 0.406 nan 8.290 nan 0.000 0.520 237 F N -0.172 119.745 119.950 -0.056 0.000 2.126 237 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 237 F C 2.351 178.141 175.800 -0.016 0.000 1.096 237 F CA 1.544 59.535 58.000 -0.014 0.000 1.255 237 F CB 0.014 39.036 39.000 0.037 0.000 0.997 237 F HN 0.233 nan 8.300 nan 0.000 0.479 238 I N -0.074 120.659 120.570 0.271 0.000 2.286 238 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 238 I C 2.002 178.094 176.117 -0.041 0.000 1.104 238 I CA 1.379 62.775 61.300 0.160 0.000 1.397 238 I CB -0.777 37.337 38.000 0.191 0.000 1.072 238 I HN 0.190 nan 8.210 nan 0.000 0.417 239 N N 1.057 119.712 118.700 -0.076 0.000 2.069 239 N HA -0.244 4.496 4.740 -0.000 0.000 0.196 239 N C 1.932 177.138 175.510 -0.507 0.000 1.024 239 N CA 1.325 54.233 53.050 -0.236 0.000 0.869 239 N CB -0.174 38.251 38.487 -0.104 0.000 1.035 239 N HN 0.277 nan 8.380 nan 0.000 0.434 240 L N 0.309 121.318 121.223 -0.358 0.000 2.027 240 L HA -0.190 4.150 4.340 -0.000 0.000 0.206 240 L C 2.547 179.211 176.870 -0.344 0.000 1.074 240 L CA 0.812 55.423 54.840 -0.382 0.000 0.745 240 L CB -0.479 41.373 42.059 -0.346 0.000 0.898 240 L HN 0.410 nan 8.230 nan 0.000 0.433 241 C N 0.067 119.203 119.300 -0.273 0.000 2.398 241 C HA -0.213 4.247 4.460 -0.000 0.000 0.276 241 C C 2.466 177.403 174.990 -0.088 0.000 1.222 241 C CA 0.925 59.862 59.018 -0.135 0.000 1.746 241 C CB -0.816 26.922 27.740 -0.004 0.000 2.039 241 C HN 0.564 nan 8.230 nan 0.000 0.470 242 D N 0.592 120.914 120.400 -0.129 0.000 2.084 242 D HA -0.070 4.570 4.640 -0.000 0.000 0.194 242 D C 2.325 178.355 176.300 -0.450 0.000 0.990 242 D CA 1.729 55.674 54.000 -0.092 0.000 0.826 242 D CB -0.685 40.088 40.800 -0.045 0.000 0.971 242 D HN 0.487 nan 8.370 nan 0.000 0.453 243 A N 0.915 123.324 122.820 -0.684 0.000 1.865 243 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 243 A C 2.444 179.845 177.584 -0.305 0.000 1.191 243 A CA 1.231 52.904 52.037 -0.606 0.000 0.623 243 A CB -0.937 17.630 19.000 -0.721 0.000 0.826 243 A HN 0.219 nan 8.150 nan 0.000 0.444 244 L N -0.504 120.570 121.223 -0.248 0.000 2.056 244 L HA -0.179 4.160 4.340 -0.000 0.000 0.207 244 L C 2.359 179.154 176.870 -0.126 0.000 1.078 244 L CA 1.307 56.084 54.840 -0.105 0.000 0.749 244 L CB -0.651 41.354 42.059 -0.089 0.000 0.901 244 L HN 0.455 nan 8.230 nan 0.000 0.433 245 N N 0.073 118.654 118.700 -0.199 0.000 2.270 245 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 245 N C 1.854 176.998 175.510 -0.610 0.000 1.016 245 N CA 1.327 54.241 53.050 -0.227 0.000 0.870 245 N CB 0.059 38.631 38.487 0.141 0.000 0.979 245 N HN 0.285 nan 8.380 nan 0.000 0.431 246 A N 1.209 123.453 122.820 -0.960 0.000 1.929 246 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 246 A C 2.009 179.366 177.584 -0.378 0.000 1.176 246 A CA 0.591 52.022 52.037 -1.009 0.000 0.628 246 A CB -1.012 17.361 19.000 -1.045 0.000 0.816 246 A HN 0.578 nan 8.150 nan 0.000 0.444 247 W N 0.919 121.983 121.300 -0.393 0.000 2.335 247 W HA -0.258 4.402 4.660 -0.000 0.000 0.311 247 W C 1.945 178.307 176.519 -0.261 0.000 1.213 247 W CA 1.905 59.104 57.345 -0.244 0.000 1.274 247 W CB -0.237 29.113 29.460 -0.182 0.000 1.148 247 W HN 0.498 nan 8.180 nan 0.000 0.498 248 Q N 0.619 120.083 119.800 -0.561 0.000 2.170 248 Q HA -0.218 4.122 4.340 -0.000 0.000 0.203 248 Q C 2.452 178.004 176.000 -0.748 0.000 0.976 248 Q CA 1.625 56.995 55.803 -0.723 0.000 0.858 248 Q CB -0.474 27.859 28.738 -0.674 0.000 0.907 248 Q HN 0.411 nan 8.270 nan 0.000 0.433 249 L N 0.739 121.511 121.223 -0.752 0.000 1.994 249 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 249 L C 2.352 179.073 176.870 -0.249 0.000 1.071 249 L CA 1.295 55.885 54.840 -0.416 0.000 0.745 249 L CB -0.245 41.722 42.059 -0.154 0.000 0.892 249 L HN 0.230 nan 8.230 nan 0.000 0.431 250 V N -2.886 116.868 119.914 -0.267 0.000 2.427 250 V HA -0.240 3.879 4.120 -0.000 0.000 0.248 250 V C 2.488 178.385 176.094 -0.329 0.000 1.051 250 V CA 1.844 64.022 62.300 -0.204 0.000 1.048 250 V CB -0.890 30.873 31.823 -0.100 0.000 0.666 250 V HN 0.440 nan 8.190 nan 0.000 0.456 251 K N 0.290 120.320 120.400 -0.617 0.000 2.057 251 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 251 K C 2.266 178.666 176.600 -0.333 0.000 1.049 251 K CA 2.114 58.017 56.287 -0.641 0.000 0.931 251 K CB -0.155 31.757 32.500 -0.981 0.000 0.714 251 K HN 0.681 nan 8.250 nan 0.000 0.440 252 E N 0.479 120.516 120.200 -0.272 0.000 2.072 252 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 252 E C 2.150 178.704 176.600 -0.078 0.000 0.982 252 E CA 0.723 57.046 56.400 -0.128 0.000 0.803 252 E CB 0.012 29.683 29.700 -0.048 0.000 0.755 252 E HN 0.287 nan 8.360 nan 0.000 0.453 253 L N 1.021 122.198 121.223 -0.076 0.000 2.042 253 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 253 L C 2.585 179.431 176.870 -0.040 0.000 1.076 253 L CA 1.176 55.996 54.840 -0.034 0.000 0.749 253 L CB -0.333 41.714 42.059 -0.020 0.000 0.893 253 L HN 0.055 nan 8.230 nan 0.000 0.432 254 K N 0.736 121.095 120.400 -0.069 0.000 2.032 254 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 254 K C 2.069 178.640 176.600 -0.047 0.000 1.048 254 K CA 2.285 58.538 56.287 -0.057 0.000 0.927 254 K CB -0.446 32.004 32.500 -0.084 0.000 0.712 254 K HN 0.328 nan 8.250 nan 0.000 0.441 255 E N 0.093 120.255 120.200 -0.063 0.000 2.072 255 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 255 E C 2.064 178.649 176.600 -0.025 0.000 0.985 255 E CA 1.461 57.834 56.400 -0.045 0.000 0.801 255 E CB -1.058 28.608 29.700 -0.057 0.000 0.750 255 E HN 0.539 nan 8.360 nan 0.000 0.452 256 A N -0.252 122.556 122.820 -0.020 0.000 1.972 256 A HA 0.181 4.501 4.320 -0.000 0.000 0.219 256 A C 2.238 179.822 177.584 -0.000 0.000 1.169 256 A CA 1.537 53.573 52.037 -0.000 0.000 0.635 256 A CB -0.075 18.935 19.000 0.016 0.000 0.810 256 A HN 0.459 nan 8.150 nan 0.000 0.446 257 L N -2.638 118.581 121.223 -0.006 0.000 2.920 257 L HA 0.320 4.660 4.340 -0.000 0.000 0.257 257 L C 1.381 178.247 176.870 -0.006 0.000 1.150 257 L CA 0.324 55.161 54.840 -0.005 0.000 0.959 257 L CB 0.248 42.305 42.059 -0.005 0.000 1.321 257 L HN 0.463 nan 8.230 nan 0.000 0.555 258 G N 2.058 110.852 108.800 -0.009 0.000 2.249 258 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.273 258 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.273 258 G C -0.003 174.896 174.900 -0.001 0.000 1.036 258 G CA 0.619 45.715 45.100 -0.006 0.000 0.824 258 G HN 0.377 nan 8.290 nan 0.000 0.504 259 I N -1.677 118.893 120.570 0.000 0.000 2.769 259 I HA 0.414 4.584 4.170 -0.000 0.000 0.298 259 I C -2.374 173.750 176.117 0.011 0.000 1.128 259 I CA -2.967 58.338 61.300 0.008 0.000 1.031 259 I CB 2.195 40.203 38.000 0.013 0.000 1.235 259 I HN -0.225 nan 8.210 nan 0.000 0.423 260 P HA 0.094 nan 4.420 nan 0.000 0.267 260 P C -0.908 176.413 177.300 0.035 0.000 1.195 260 P CA 0.217 63.334 63.100 0.028 0.000 0.773 260 P CB 0.532 32.254 31.700 0.036 0.000 0.837 261 A N 1.355 124.199 122.820 0.040 0.000 2.539 261 A HA 0.851 5.171 4.320 -0.000 0.000 0.296 261 A C -1.433 176.202 177.584 0.085 0.000 1.073 261 A CA -0.295 51.771 52.037 0.049 0.000 0.700 261 A CB 1.808 20.816 19.000 0.013 0.000 1.296 261 A HN 0.524 nan 8.150 nan 0.000 0.405 262 A N -0.167 122.722 122.820 0.116 0.000 2.549 262 A HA 0.953 5.273 4.320 -0.000 0.000 0.297 262 A C -0.498 177.201 177.584 0.191 0.000 1.061 262 A CA 0.079 52.225 52.037 0.182 0.000 0.690 262 A CB 1.334 20.503 19.000 0.282 0.000 1.287 262 A HN 2.560 nan 8.150 nan 0.000 0.402 263 A N 0.235 123.198 122.820 0.240 0.000 2.454 263 A HA 0.856 5.175 4.320 -0.000 0.000 0.302 263 A C -0.307 177.505 177.584 0.381 0.000 1.079 263 A CA -0.107 52.102 52.037 0.287 0.000 0.731 263 A CB 1.613 20.794 19.000 0.301 0.000 1.299 263 A HN 1.828 nan 8.150 nan 0.000 0.413 264 S N 1.364 117.294 115.700 0.384 0.000 2.622 264 S HA 0.639 5.109 4.470 -0.000 0.000 0.283 264 S C -1.306 173.542 174.600 0.413 0.000 1.197 264 S CA -0.333 58.099 58.200 0.386 0.000 1.146 264 S CB -0.500 62.851 63.200 0.252 0.000 1.007 264 S HN 0.410 nan 8.310 nan 0.000 0.478 265 F N 3.626 123.703 119.950 0.211 0.000 2.375 265 F HA 0.636 5.163 4.527 -0.000 0.000 0.333 265 F C 0.733 176.637 175.800 0.172 0.000 1.104 265 F CA -0.421 57.690 58.000 0.185 0.000 1.149 265 F CB 1.157 40.261 39.000 0.174 0.000 1.190 265 F HN 0.298 nan 8.300 nan 0.000 0.533 266 K N 2.699 123.181 120.400 0.136 0.000 2.656 266 K HA 0.172 4.492 4.320 -0.000 0.000 0.253 266 K C -0.902 175.781 176.600 0.139 0.000 1.002 266 K CA -0.590 55.768 56.287 0.118 0.000 0.880 266 K CB 1.081 33.664 32.500 0.140 0.000 1.232 266 K HN 0.674 nan 8.250 nan 0.000 0.456 267 H N 1.293 120.456 119.070 0.155 0.000 2.748 267 H HA -0.133 4.423 4.556 -0.000 0.000 0.322 267 H C 0.180 175.589 175.328 0.134 0.000 1.208 267 H CA 0.950 57.080 56.048 0.138 0.000 1.151 267 H CB -1.477 28.348 29.762 0.104 0.000 1.505 267 H HN 0.583 nan 8.280 nan 0.000 0.429 268 V N -1.858 118.235 119.914 0.298 0.000 4.112 268 V HA -0.303 3.817 4.120 -0.000 0.000 0.233 268 V C 0.688 176.879 176.094 0.163 0.000 0.458 268 V CA 1.601 64.130 62.300 0.382 0.000 0.909 268 V CB -1.928 30.094 31.823 0.331 0.000 0.963 268 V HN 0.612 nan 8.190 nan 0.000 1.260 269 S N 0.383 115.894 115.700 -0.314 0.000 2.541 269 S HA 0.674 5.144 4.470 -0.000 0.000 0.271 269 S C -2.751 171.226 174.600 -1.039 0.000 1.133 269 S CA -0.834 57.065 58.200 -0.503 0.000 0.876 269 S CB 3.322 66.442 63.200 -0.134 0.000 1.105 269 S HN 0.321 nan 8.310 nan 0.000 0.470 270 P HA 0.285 nan 4.420 nan 0.000 0.280 270 P C -0.213 176.974 177.300 -0.188 0.000 1.244 270 P CA -0.242 62.512 63.100 -0.576 0.000 0.784 270 P CB 1.245 32.856 31.700 -0.148 0.000 0.913 271 A N 3.121 125.909 122.820 -0.054 0.000 2.030 271 A HA 0.453 4.773 4.320 -0.000 0.000 0.215 271 A C 1.058 178.673 177.584 0.053 0.000 1.164 271 A CA 1.187 53.245 52.037 0.034 0.000 0.697 271 A CB -0.477 18.580 19.000 0.096 0.000 0.827 271 A HN 0.692 nan 8.150 nan 0.000 0.457 272 G N -2.709 106.135 108.800 0.073 0.000 2.601 272 G HA2 0.668 4.628 3.960 -0.000 0.000 0.291 272 G HA3 0.668 4.628 3.960 -0.000 0.000 0.291 272 G C -1.374 173.596 174.900 0.117 0.000 1.456 272 G CA 0.149 45.292 45.100 0.072 0.000 0.804 272 G HN 1.317 nan 8.290 nan 0.000 0.499 273 A N -0.937 121.935 122.820 0.086 0.000 2.530 273 A HA 1.015 5.335 4.320 -0.000 0.000 0.297 273 A C -0.456 177.166 177.584 0.063 0.000 1.059 273 A CA 0.465 52.566 52.037 0.107 0.000 0.782 273 A CB 1.004 20.084 19.000 0.133 0.000 1.301 273 A HN 2.569 nan 8.150 nan 0.000 0.394 274 A N 0.928 123.789 122.820 0.068 0.000 2.609 274 A HA 0.906 5.226 4.320 -0.000 0.000 0.291 274 A C -0.315 177.303 177.584 0.058 0.000 1.096 274 A CA -0.025 52.043 52.037 0.052 0.000 0.684 274 A CB 0.836 19.868 19.000 0.052 0.000 1.282 274 A HN 2.259 nan 8.150 nan 0.000 0.412 275 V N -1.361 118.582 119.914 0.047 0.000 2.966 275 V HA 0.796 4.916 4.120 -0.000 0.000 0.317 275 V C 1.020 177.147 176.094 0.054 0.000 1.070 275 V CA -0.068 62.259 62.300 0.044 0.000 1.008 275 V CB 1.253 33.093 31.823 0.028 0.000 1.070 275 V HN 1.651 nan 8.190 nan 0.000 0.457 276 G N 1.432 110.262 108.800 0.049 0.000 3.266 276 G HA2 0.195 4.155 3.960 -0.000 0.000 0.238 276 G HA3 0.195 4.155 3.960 -0.000 0.000 0.238 276 G C 0.233 175.162 174.900 0.050 0.000 1.076 276 G CA -0.191 44.941 45.100 0.052 0.000 1.804 276 G HN 0.617 nan 8.290 nan 0.000 0.600 277 I N 1.247 121.852 120.570 0.059 0.000 2.452 277 I HA 0.122 4.292 4.170 -0.000 0.000 0.287 277 I C -1.722 174.441 176.117 0.076 0.000 1.079 277 I CA -1.912 59.426 61.300 0.064 0.000 1.387 277 I CB 1.330 39.373 38.000 0.071 0.000 1.404 277 I HN 0.065 nan 8.210 nan 0.000 0.522 278 P HA -0.017 nan 4.420 nan 0.000 0.267 278 P C -0.761 176.607 177.300 0.113 0.000 1.195 278 P CA -0.187 62.953 63.100 0.066 0.000 0.773 278 P CB 0.411 32.140 31.700 0.049 0.000 0.837 279 L N 1.432 122.732 121.223 0.128 0.000 2.343 279 L HA 0.371 4.711 4.340 -0.000 0.000 0.275 279 L C 0.670 177.743 176.870 0.338 0.000 1.056 279 L CA 0.240 55.216 54.840 0.226 0.000 0.804 279 L CB 0.962 43.171 42.059 0.251 0.000 1.203 279 L HN 0.414 nan 8.230 nan 0.000 0.440 280 S N 0.351 116.236 115.700 0.308 0.000 2.616 280 S HA 0.310 4.780 4.470 -0.000 0.000 0.277 280 S C 0.849 175.583 174.600 0.223 0.000 1.234 280 S CA -0.679 57.685 58.200 0.274 0.000 1.028 280 S CB 1.044 64.357 63.200 0.188 0.000 0.988 280 S HN 0.668 nan 8.310 nan 0.000 0.522 281 E N 0.620 120.826 120.200 0.010 0.000 2.187 281 E HA -0.232 4.117 4.350 -0.000 0.000 0.199 281 E C 0.867 177.428 176.600 -0.065 0.000 1.004 281 E CA 1.632 57.897 56.400 -0.224 0.000 0.813 281 E CB -0.020 29.562 29.700 -0.196 0.000 0.736 281 E HN 0.659 nan 8.360 nan 0.000 0.468 282 D N -0.060 120.319 120.400 -0.034 0.000 2.120 282 D HA -0.094 4.545 4.640 -0.000 0.000 0.202 282 D C 1.533 177.793 176.300 -0.067 0.000 0.972 282 D CA 0.784 54.735 54.000 -0.081 0.000 0.837 282 D CB -0.003 40.776 40.800 -0.034 0.000 0.989 282 D HN 0.250 nan 8.370 nan 0.000 0.469 283 E N 0.643 120.870 120.200 0.045 0.000 2.347 283 E HA -0.035 4.314 4.350 -0.000 0.000 0.196 283 E C 1.843 178.507 176.600 0.106 0.000 1.008 283 E CA 0.291 56.729 56.400 0.064 0.000 0.852 283 E CB 0.134 29.964 29.700 0.216 0.000 0.783 283 E HN 0.127 nan 8.360 nan 0.000 0.505 284 A N 1.191 124.116 122.820 0.176 0.000 2.066 284 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 284 A C 1.816 179.523 177.584 0.206 0.000 1.157 284 A CA 0.950 53.152 52.037 0.274 0.000 0.670 284 A CB -0.004 19.291 19.000 0.492 0.000 0.804 284 A HN 0.029 nan 8.150 nan 0.000 0.453 285 K N -0.688 119.741 120.400 0.049 0.000 2.098 285 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 285 K C 1.631 178.190 176.600 -0.068 0.000 1.051 285 K CA 1.000 57.253 56.287 -0.057 0.000 0.957 285 K CB -0.142 32.209 32.500 -0.248 0.000 0.738 285 K HN 0.213 nan 8.250 nan 0.000 0.447 286 V N 1.022 120.857 119.914 -0.132 0.000 2.594 286 V HA -0.238 3.882 4.120 -0.000 0.000 0.253 286 V C 1.721 177.809 176.094 -0.010 0.000 1.069 286 V CA 1.305 63.507 62.300 -0.163 0.000 1.082 286 V CB -0.444 31.133 31.823 -0.411 0.000 0.680 286 V HN 0.417 nan 8.190 nan 0.000 0.469 287 C N -0.276 119.055 119.300 0.051 0.000 2.791 287 C HA 0.291 4.751 4.460 -0.000 0.000 0.270 287 C C 1.560 176.600 174.990 0.084 0.000 1.257 287 C CA -0.601 58.473 59.018 0.093 0.000 1.699 287 C CB -0.738 27.072 27.740 0.116 0.000 1.904 287 C HN 0.609 nan 8.230 nan 0.000 0.603 288 M N -0.010 119.635 119.600 0.074 0.000 2.762 288 M HA -0.164 4.316 4.480 -0.000 0.000 0.190 288 M C 0.953 177.321 176.300 0.113 0.000 0.586 288 M CA 1.028 56.377 55.300 0.081 0.000 0.620 288 M CB -2.245 30.393 32.600 0.063 0.000 2.269 288 M HN 0.505 nan 8.290 nan 0.000 0.563 289 V N -3.588 116.412 119.914 0.142 0.000 3.621 289 V HA 0.007 4.127 4.120 -0.000 0.000 0.285 289 V C 1.719 177.920 176.094 0.178 0.000 1.346 289 V CA 0.580 62.967 62.300 0.144 0.000 1.104 289 V CB -0.771 31.134 31.823 0.136 0.000 0.913 289 V HN 0.407 nan 8.190 nan 0.000 0.432 290 Y N 4.144 124.498 120.300 0.090 0.000 2.173 290 Y HA -0.323 4.227 4.550 -0.000 0.000 0.282 290 Y C 2.240 178.201 175.900 0.102 0.000 1.192 290 Y CA 2.498 60.653 58.100 0.092 0.000 1.176 290 Y CB -0.227 38.234 38.460 0.002 0.000 0.969 290 Y HN 0.608 nan 8.280 nan 0.000 0.519 291 D N -0.481 119.955 120.400 0.060 0.000 2.350 291 D HA -0.149 4.490 4.640 -0.000 0.000 0.216 291 D C 0.981 177.255 176.300 -0.043 0.000 0.968 291 D CA 1.031 55.020 54.000 -0.018 0.000 0.894 291 D CB -0.545 40.284 40.800 0.049 0.000 0.909 291 D HN 0.489 nan 8.370 nan 0.000 0.520 292 L N -0.298 120.919 121.223 -0.009 0.000 3.110 292 L HA 0.234 4.574 4.340 -0.000 0.000 0.266 292 L C 1.116 177.982 176.870 -0.007 0.000 1.257 292 L CA -0.607 54.231 54.840 -0.003 0.000 1.038 292 L CB -0.197 41.876 42.059 0.023 0.000 1.395 292 L HN -0.175 nan 8.230 nan 0.000 0.566 293 Y N 2.298 122.486 120.300 -0.187 0.000 2.333 293 Y HA -0.244 4.306 4.550 -0.000 0.000 0.290 293 Y C 2.314 178.151 175.900 -0.106 0.000 1.144 293 Y CA 1.966 59.961 58.100 -0.176 0.000 1.228 293 Y CB 0.115 38.352 38.460 -0.373 0.000 0.985 293 Y HN 0.244 nan 8.280 nan 0.000 0.542 294 K N -0.309 120.040 120.400 -0.084 0.000 2.417 294 K HA 0.213 4.533 4.320 -0.000 0.000 0.196 294 K C 1.172 177.710 176.600 -0.104 0.000 1.023 294 K CA 1.001 57.226 56.287 -0.104 0.000 1.122 294 K CB -1.246 31.242 32.500 -0.020 0.000 0.850 294 K HN 0.523 nan 8.250 nan 0.000 0.521 295 T N -3.130 111.361 114.554 -0.105 0.000 3.058 295 T HA 0.339 4.689 4.350 -0.000 0.000 0.278 295 T C 0.460 175.118 174.700 -0.070 0.000 0.974 295 T CA -0.398 61.661 62.100 -0.068 0.000 0.893 295 T CB -0.513 68.333 68.868 -0.036 0.000 1.138 295 T HN 0.208 nan 8.240 nan 0.000 0.529 296 L N 3.971 125.124 121.223 -0.116 0.000 2.513 296 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 296 L C 1.139 177.969 176.870 -0.067 0.000 1.187 296 L CA -0.027 54.762 54.840 -0.086 0.000 0.895 296 L CB 0.488 42.465 42.059 -0.135 0.000 1.147 296 L HN 0.446 nan 8.230 nan 0.000 0.483 297 T N 0.032 114.574 114.554 -0.021 0.000 2.922 297 T HA 0.424 4.773 4.350 -0.000 0.000 0.281 297 T C -2.057 172.648 174.700 0.009 0.000 1.005 297 T CA -1.847 60.247 62.100 -0.010 0.000 0.982 297 T CB 1.754 70.623 68.868 0.002 0.000 1.158 297 T HN 0.232 nan 8.240 nan 0.000 0.566 298 P HA 0.050 nan 4.420 nan 0.000 0.215 298 P C 1.558 178.887 177.300 0.049 0.000 1.157 298 P CA 0.172 63.289 63.100 0.028 0.000 0.859 298 P CB -0.077 31.636 31.700 0.022 0.000 0.786 299 I N -0.144 120.456 120.570 0.050 0.000 2.493 299 I HA -0.169 4.001 4.170 -0.000 0.000 0.254 299 I C 1.833 178.016 176.117 0.110 0.000 1.160 299 I CA 1.579 62.921 61.300 0.071 0.000 1.445 299 I CB -0.851 37.179 38.000 0.051 0.000 1.086 299 I HN -0.080 nan 8.210 nan 0.000 0.433 300 S N -0.034 115.724 115.700 0.098 0.000 2.458 300 S HA 0.168 4.638 4.470 -0.000 0.000 0.223 300 S C 2.172 176.856 174.600 0.141 0.000 1.019 300 S CA 0.361 58.645 58.200 0.141 0.000 0.937 300 S CB -0.592 62.666 63.200 0.097 0.000 0.788 300 S HN 0.382 nan 8.310 nan 0.000 0.511 301 A N 1.898 124.773 122.820 0.092 0.000 1.930 301 A HA 0.408 4.728 4.320 -0.000 0.000 0.217 301 A C 2.461 180.105 177.584 0.099 0.000 1.175 301 A CA 1.450 53.537 52.037 0.084 0.000 0.627 301 A CB -1.311 17.724 19.000 0.059 0.000 0.815 301 A HN 0.811 nan 8.150 nan 0.000 0.443 302 A N -1.436 121.449 122.820 0.108 0.000 1.873 302 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 302 A C 2.132 179.792 177.584 0.126 0.000 1.186 302 A CA 1.581 53.684 52.037 0.111 0.000 0.616 302 A CB -0.831 18.236 19.000 0.112 0.000 0.823 302 A HN 0.657 nan 8.150 nan 0.000 0.442 303 Y N 0.863 121.213 120.300 0.083 0.000 2.274 303 Y HA -0.073 4.477 4.550 -0.000 0.000 0.290 303 Y C 2.564 178.529 175.900 0.107 0.000 1.145 303 Y CA 0.710 58.866 58.100 0.094 0.000 1.203 303 Y CB -0.547 37.963 38.460 0.084 0.000 0.984 303 Y HN 0.327 nan 8.280 nan 0.000 0.533 304 A N 0.546 123.329 122.820 -0.062 0.000 1.845 304 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 304 A C 2.362 179.910 177.584 -0.059 0.000 1.195 304 A CA 2.002 54.000 52.037 -0.064 0.000 0.616 304 A CB -0.672 18.370 19.000 0.069 0.000 0.832 304 A HN 0.492 nan 8.150 nan 0.000 0.443 305 R N -0.568 119.948 120.500 0.026 0.000 2.080 305 R HA -0.099 4.240 4.340 -0.000 0.000 0.236 305 R C 2.510 178.823 176.300 0.022 0.000 1.137 305 R CA 1.353 57.500 56.100 0.079 0.000 0.943 305 R CB -0.585 29.778 30.300 0.105 0.000 0.846 305 R HN 0.516 nan 8.270 nan 0.000 0.431 306 A N 0.996 123.799 122.820 -0.029 0.000 1.948 306 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 306 A C 2.051 179.595 177.584 -0.066 0.000 1.177 306 A CA 1.355 53.380 52.037 -0.019 0.000 0.636 306 A CB -0.429 18.594 19.000 0.039 0.000 0.815 306 A HN 0.172 nan 8.150 nan 0.000 0.449 307 R N -0.452 119.895 120.500 -0.255 0.000 2.334 307 R HA 0.048 4.388 4.340 -0.000 0.000 0.220 307 R C 1.459 177.746 176.300 -0.022 0.000 0.917 307 R CA 0.686 56.673 56.100 -0.189 0.000 1.073 307 R CB -0.196 29.821 30.300 -0.472 0.000 1.056 307 R HN 0.479 nan 8.270 nan 0.000 0.506 308 G N -1.038 107.786 108.800 0.041 0.000 2.939 308 G HA2 0.022 3.981 3.960 -0.000 0.000 0.216 308 G HA3 0.022 3.981 3.960 -0.000 0.000 0.216 308 G C 1.255 176.334 174.900 0.298 0.000 1.125 308 G CA 0.424 45.626 45.100 0.170 0.000 0.766 308 G HN 0.267 nan 8.290 nan 0.000 0.541 309 A N 0.125 123.059 122.820 0.190 0.000 1.940 309 A HA 0.011 4.330 4.320 -0.000 0.000 0.219 309 A C 1.134 178.871 177.584 0.256 0.000 1.176 309 A CA 1.649 53.766 52.037 0.133 0.000 0.631 309 A CB 0.022 19.015 19.000 -0.012 0.000 0.814 309 A HN 0.253 nan 8.150 nan 0.000 0.446 310 D N -2.031 118.494 120.400 0.208 0.000 2.411 310 D HA 0.200 4.840 4.640 -0.000 0.000 0.239 310 D C 0.788 177.198 176.300 0.184 0.000 1.307 310 D CA -0.417 53.710 54.000 0.212 0.000 0.930 310 D CB 0.297 41.202 40.800 0.174 0.000 1.395 310 D HN 0.106 nan 8.370 nan 0.000 0.536 311 R N 1.432 122.044 120.500 0.186 0.000 2.112 311 R HA -0.177 4.163 4.340 -0.000 0.000 0.242 311 R C 2.021 178.419 176.300 0.165 0.000 1.137 311 R CA 1.232 57.426 56.100 0.157 0.000 0.944 311 R CB -0.190 30.192 30.300 0.136 0.000 0.857 311 R HN 0.482 nan 8.270 nan 0.000 0.435 312 M N 0.461 120.151 119.600 0.151 0.000 2.082 312 M HA -0.187 4.292 4.480 -0.000 0.000 0.258 312 M C 1.980 178.388 176.300 0.181 0.000 1.071 312 M CA 2.068 57.450 55.300 0.137 0.000 1.103 312 M CB -0.101 32.559 32.600 0.099 0.000 1.307 312 M HN 0.038 nan 8.290 nan 0.000 0.409 313 S N 0.283 116.088 115.700 0.175 0.000 2.465 313 S HA -0.098 4.372 4.470 -0.000 0.000 0.241 313 S C 1.656 176.388 174.600 0.218 0.000 1.000 313 S CA 1.353 59.667 58.200 0.189 0.000 0.964 313 S CB -0.324 62.971 63.200 0.158 0.000 0.763 313 S HN 0.531 nan 8.310 nan 0.000 0.512 314 S N 0.853 116.684 115.700 0.219 0.000 2.522 314 S HA 0.152 4.621 4.470 -0.000 0.000 0.227 314 S C 0.448 175.198 174.600 0.249 0.000 0.986 314 S CA -0.289 58.041 58.200 0.217 0.000 0.929 314 S CB -0.317 62.995 63.200 0.187 0.000 0.769 314 S HN 0.615 nan 8.310 nan 0.000 0.529 315 F N 3.059 123.082 119.950 0.120 0.000 2.539 315 F HA 0.345 4.872 4.527 -0.000 0.000 0.393 315 F C 1.237 177.109 175.800 0.119 0.000 1.032 315 F CA 0.737 58.803 58.000 0.111 0.000 1.120 315 F CB -0.471 38.587 39.000 0.096 0.000 1.014 315 F HN 0.250 nan 8.300 nan 0.000 0.546 316 G N 3.687 112.310 108.800 -0.295 0.000 2.132 316 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.234 316 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.234 316 G C -0.204 174.702 174.900 0.010 0.000 0.989 316 G CA -0.003 44.962 45.100 -0.224 0.000 0.676 316 G HN 1.002 nan 8.290 nan 0.000 0.522 317 D N -0.458 119.998 120.400 0.093 0.000 2.384 317 D HA 0.536 5.176 4.640 -0.000 0.000 0.244 317 D C -0.147 176.274 176.300 0.201 0.000 1.251 317 D CA -0.640 53.474 54.000 0.189 0.000 0.961 317 D CB 0.844 41.787 40.800 0.239 0.000 1.116 317 D HN 0.128 nan 8.370 nan 0.000 0.484 318 F N -0.023 120.024 119.950 0.160 0.000 2.495 318 F HA 0.414 4.941 4.527 -0.000 0.000 0.327 318 F C -0.664 175.238 175.800 0.169 0.000 1.103 318 F CA -0.949 57.118 58.000 0.111 0.000 0.949 318 F CB 1.756 40.797 39.000 0.069 0.000 1.142 318 F HN 0.211 nan 8.300 nan 0.000 0.457 319 V N 5.011 124.976 119.914 0.086 0.000 2.769 319 V HA 0.930 5.050 4.120 -0.000 0.000 0.312 319 V C -1.129 175.101 176.094 0.227 0.000 1.058 319 V CA -0.323 62.100 62.300 0.205 0.000 0.952 319 V CB 1.585 33.438 31.823 0.051 0.000 1.019 319 V HN 1.034 nan 8.190 nan 0.000 0.445 320 A N 6.357 129.315 122.820 0.231 0.000 2.422 320 A HA 0.866 5.186 4.320 -0.000 0.000 0.302 320 A C -1.480 176.220 177.584 0.193 0.000 1.041 320 A CA -0.629 51.536 52.037 0.213 0.000 0.708 320 A CB 1.407 20.517 19.000 0.182 0.000 1.257 320 A HN 0.846 nan 8.150 nan 0.000 0.414 321 L N 1.673 123.008 121.223 0.187 0.000 2.354 321 L HA 0.475 4.814 4.340 -0.000 0.000 0.269 321 L C 1.218 178.232 176.870 0.240 0.000 1.005 321 L CA -0.583 54.349 54.840 0.153 0.000 0.819 321 L CB 2.491 44.588 42.059 0.064 0.000 1.311 321 L HN 0.886 nan 8.230 nan 0.000 0.423 322 S N -1.607 114.186 115.700 0.155 0.000 2.524 322 S HA 0.157 4.627 4.470 -0.000 0.000 0.216 322 S C 0.027 174.715 174.600 0.147 0.000 0.987 322 S CA -0.137 58.151 58.200 0.147 0.000 0.909 322 S CB -0.090 63.100 63.200 -0.016 0.000 0.781 322 S HN 0.680 nan 8.310 nan 0.000 0.521 323 D N 0.156 120.606 120.400 0.083 0.000 2.477 323 D HA 0.612 5.252 4.640 -0.000 0.000 0.234 323 D C -0.314 175.966 176.300 -0.033 0.000 1.048 323 D CA -0.417 53.603 54.000 0.033 0.000 0.959 323 D CB 1.591 42.405 40.800 0.023 0.000 1.408 323 D HN 0.163 nan 8.370 nan 0.000 0.496 324 V N 0.527 120.403 119.914 -0.063 0.000 2.584 324 V HA 0.028 4.148 4.120 -0.000 0.000 0.303 324 V C 0.667 176.700 176.094 -0.101 0.000 1.035 324 V CA -0.114 62.107 62.300 -0.131 0.000 1.172 324 V CB -0.299 31.474 31.823 -0.084 0.000 0.896 324 V HN 0.775 nan 8.190 nan 0.000 0.486 325 C N 6.889 126.092 119.300 -0.163 0.000 2.651 325 C HA 0.500 4.960 4.460 -0.000 0.000 0.410 325 C C 0.377 175.379 174.990 0.020 0.000 1.372 325 C CA -0.391 58.600 59.018 -0.046 0.000 1.707 325 C CB -1.086 26.663 27.740 0.016 0.000 2.501 325 C HN 1.042 nan 8.230 nan 0.000 0.598 326 D N 4.350 124.761 120.400 0.019 0.000 2.387 326 D HA 0.270 4.909 4.640 -0.000 0.000 0.255 326 D C 1.023 177.338 176.300 0.025 0.000 1.081 326 D CA -0.799 53.215 54.000 0.023 0.000 0.994 326 D CB 0.721 41.529 40.800 0.014 0.000 1.127 326 D HN 0.273 nan 8.370 nan 0.000 0.513 327 V N 0.671 120.596 119.914 0.019 0.000 2.250 327 V HA -0.205 3.914 4.120 -0.000 0.000 0.250 327 V C -0.778 175.321 176.094 0.009 0.000 1.060 327 V CA 2.266 64.573 62.300 0.011 0.000 1.030 327 V CB -1.744 30.082 31.823 0.005 0.000 0.643 327 V HN 0.596 nan 8.190 nan 0.000 0.445 328 P HA -0.181 nan 4.420 nan 0.000 0.216 328 P C 1.820 179.139 177.300 0.031 0.000 1.154 328 P CA 2.196 65.306 63.100 0.016 0.000 0.865 328 P CB -0.264 31.443 31.700 0.012 0.000 0.789 329 T N -0.824 113.750 114.554 0.033 0.000 2.746 329 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 329 T C 1.902 176.601 174.700 -0.002 0.000 1.039 329 T CA 1.575 63.698 62.100 0.039 0.000 1.142 329 T CB -1.023 67.855 68.868 0.017 0.000 0.866 329 T HN 0.069 nan 8.240 nan 0.000 0.444 330 A N 1.986 124.799 122.820 -0.012 0.000 1.948 330 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 330 A C 2.250 179.808 177.584 -0.042 0.000 1.177 330 A CA 1.655 53.668 52.037 -0.039 0.000 0.636 330 A CB -0.467 18.518 19.000 -0.025 0.000 0.815 330 A HN 0.485 nan 8.150 nan 0.000 0.449 331 K N -0.687 119.705 120.400 -0.012 0.000 2.148 331 K HA 0.013 4.333 4.320 -0.000 0.000 0.204 331 K C 1.780 178.391 176.600 0.017 0.000 1.050 331 K CA 1.295 57.579 56.287 -0.005 0.000 0.942 331 K CB -0.275 32.228 32.500 0.005 0.000 0.724 331 K HN 0.550 nan 8.250 nan 0.000 0.446 332 I N 0.920 121.522 120.570 0.053 0.000 2.233 332 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 332 I C 2.222 178.411 176.117 0.120 0.000 1.093 332 I CA 1.132 62.503 61.300 0.118 0.000 1.380 332 I CB -0.148 37.981 38.000 0.214 0.000 1.067 332 I HN 0.078 nan 8.210 nan 0.000 0.413 333 I N -0.175 120.415 120.570 0.034 0.000 2.252 333 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 333 I C 2.767 178.814 176.117 -0.116 0.000 1.102 333 I CA 1.148 62.414 61.300 -0.057 0.000 1.385 333 I CB -0.389 37.468 38.000 -0.239 0.000 1.064 333 I HN 0.198 nan 8.210 nan 0.000 0.414 334 S N 1.650 117.270 115.700 -0.134 0.000 2.370 334 S HA -0.216 4.254 4.470 -0.000 0.000 0.226 334 S C 1.941 176.477 174.600 -0.107 0.000 1.033 334 S CA 1.439 59.539 58.200 -0.168 0.000 1.011 334 S CB -0.251 62.874 63.200 -0.125 0.000 0.852 334 S HN 0.509 nan 8.310 nan 0.000 0.457 335 R N 0.139 120.615 120.500 -0.041 0.000 2.404 335 R HA 0.264 4.604 4.340 -0.000 0.000 0.236 335 R C -0.332 175.979 176.300 0.018 0.000 1.044 335 R CA 0.002 56.096 56.100 -0.010 0.000 1.133 335 R CB -0.042 30.264 30.300 0.011 0.000 1.142 335 R HN 0.255 nan 8.270 nan 0.000 0.512 336 E N 0.669 120.874 120.200 0.009 0.000 2.339 336 E HA 0.300 4.649 4.350 -0.000 0.000 0.262 336 E C -0.887 175.719 176.600 0.011 0.000 0.934 336 E CA -1.237 55.194 56.400 0.053 0.000 0.802 336 E CB 2.439 32.206 29.700 0.112 0.000 1.275 336 E HN -0.089 nan 8.360 nan 0.000 0.427 337 V N 1.501 121.437 119.914 0.037 0.000 2.334 337 V HA 0.366 4.485 4.120 -0.000 0.000 0.267 337 V C 0.157 176.197 176.094 -0.091 0.000 1.040 337 V CA -0.184 62.063 62.300 -0.087 0.000 0.866 337 V CB 0.669 32.352 31.823 -0.234 0.000 1.019 337 V HN 0.543 nan 8.190 nan 0.000 0.468 338 S N 2.685 118.364 115.700 -0.035 0.000 2.546 338 S HA 0.445 4.915 4.470 -0.000 0.000 0.274 338 S C 0.036 174.739 174.600 0.171 0.000 1.121 338 S CA -0.685 57.558 58.200 0.072 0.000 0.887 338 S CB 2.263 65.550 63.200 0.145 0.000 1.094 338 S HN 0.657 nan 8.310 nan 0.000 0.474 339 D N 2.058 122.484 120.400 0.043 0.000 2.366 339 D HA 0.304 4.944 4.640 -0.000 0.000 0.205 339 D C 0.827 176.865 176.300 -0.436 0.000 1.022 339 D CA 0.946 54.921 54.000 -0.043 0.000 0.868 339 D CB 0.854 41.664 40.800 0.016 0.000 0.953 339 D HN 0.772 nan 8.370 nan 0.000 0.514 340 G N 0.193 108.465 108.800 -0.880 0.000 2.441 340 G HA2 0.512 4.472 3.960 -0.000 0.000 0.294 340 G HA3 0.512 4.472 3.960 -0.000 0.000 0.294 340 G C -1.970 171.778 174.900 -1.920 0.000 1.393 340 G CA -0.643 43.401 45.100 -1.759 0.000 0.796 340 G HN 0.067 nan 8.290 nan 0.000 0.494 341 I N -0.465 119.234 120.570 -1.451 0.000 2.842 341 I HA 0.749 4.919 4.170 -0.000 0.000 0.297 341 I C -1.841 174.291 176.117 0.026 0.000 1.380 341 I CA -1.138 59.837 61.300 -0.540 0.000 1.018 341 I CB 2.126 40.044 38.000 -0.138 0.000 1.311 341 I HN 0.705 nan 8.210 nan 0.000 0.439 342 I N 6.763 127.472 120.570 0.232 0.000 2.582 342 I HA 0.891 5.061 4.170 -0.000 0.000 0.292 342 I C -1.132 175.001 176.117 0.027 0.000 1.066 342 I CA -0.188 61.209 61.300 0.161 0.000 1.053 342 I CB 1.673 39.744 38.000 0.119 0.000 1.241 342 I HN 0.778 nan 8.210 nan 0.000 0.421 343 A N 7.565 130.291 122.820 -0.158 0.000 2.609 343 A HA 0.716 5.036 4.320 -0.000 0.000 0.291 343 A C -2.646 174.654 177.584 -0.474 0.000 1.096 343 A CA -0.958 50.883 52.037 -0.327 0.000 0.684 343 A CB 1.404 20.064 19.000 -0.566 0.000 1.282 343 A HN 0.494 nan 8.150 nan 0.000 0.412 344 P HA 0.154 nan 4.420 nan 0.000 0.223 344 P C 0.740 177.873 177.300 -0.279 0.000 1.151 344 P CA 1.696 64.625 63.100 -0.284 0.000 0.787 344 P CB 0.400 32.075 31.700 -0.042 0.000 0.788 345 G N -1.614 106.923 108.800 -0.437 0.000 2.466 345 G HA2 0.482 4.442 3.960 -0.000 0.000 0.291 345 G HA3 0.482 4.442 3.960 -0.000 0.000 0.291 345 G C -2.308 172.211 174.900 -0.635 0.000 1.460 345 G CA -0.659 44.210 45.100 -0.385 0.000 0.791 345 G HN -0.102 nan 8.290 nan 0.000 0.505 346 Y N -0.117 120.164 120.300 -0.032 0.000 2.524 346 Y HA 0.549 5.099 4.550 -0.000 0.000 0.347 346 Y C 0.354 176.241 175.900 -0.021 0.000 1.005 346 Y CA -0.973 57.111 58.100 -0.027 0.000 1.025 346 Y CB 2.037 40.478 38.460 -0.032 0.000 1.275 346 Y HN 0.522 nan 8.280 nan 0.000 0.460 347 E N 0.741 121.015 120.200 0.123 0.000 2.343 347 E HA 0.279 4.629 4.350 -0.000 0.000 0.269 347 E C 0.990 177.630 176.600 0.067 0.000 1.047 347 E CA 0.420 56.860 56.400 0.067 0.000 0.874 347 E CB 0.972 30.696 29.700 0.039 0.000 1.033 347 E HN 0.885 nan 8.360 nan 0.000 0.409 348 E N 2.364 122.587 120.200 0.039 0.000 2.072 348 E HA -0.365 3.984 4.350 -0.000 0.000 0.218 348 E C 2.128 178.735 176.600 0.012 0.000 1.051 348 E CA 2.538 58.951 56.400 0.021 0.000 0.880 348 E CB -1.607 28.099 29.700 0.010 0.000 0.783 348 E HN 0.736 nan 8.360 nan 0.000 0.473 349 E N 0.154 120.360 120.200 0.009 0.000 2.219 349 E HA 0.090 4.440 4.350 -0.000 0.000 0.198 349 E C 2.476 179.076 176.600 -0.000 0.000 0.998 349 E CA 2.488 58.888 56.400 0.000 0.000 0.818 349 E CB -0.954 28.746 29.700 -0.000 0.000 0.741 349 E HN 1.061 nan 8.360 nan 0.000 0.477 350 A N 0.139 122.972 122.820 0.021 0.000 1.873 350 A HA 0.164 4.484 4.320 -0.000 0.000 0.215 350 A C 2.415 179.997 177.584 -0.002 0.000 1.186 350 A CA 1.593 53.649 52.037 0.032 0.000 0.616 350 A CB -0.395 18.661 19.000 0.094 0.000 0.823 350 A HN 0.647 nan 8.150 nan 0.000 0.442 351 L N 0.181 121.398 121.223 -0.010 0.000 2.127 351 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 351 L C 2.291 179.102 176.870 -0.098 0.000 1.089 351 L CA 2.721 57.492 54.840 -0.113 0.000 0.757 351 L CB -1.030 40.972 42.059 -0.096 0.000 0.899 351 L HN 0.392 nan 8.230 nan 0.000 0.434 352 T N -0.223 114.296 114.554 -0.058 0.000 2.732 352 T HA -0.092 4.258 4.350 -0.000 0.000 0.261 352 T C 1.979 176.642 174.700 -0.062 0.000 1.040 352 T CA 1.860 63.928 62.100 -0.053 0.000 1.145 352 T CB -0.264 68.582 68.868 -0.036 0.000 0.866 352 T HN 0.322 nan 8.240 nan 0.000 0.427 353 I N 0.988 121.521 120.570 -0.062 0.000 2.163 353 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 353 I C 2.332 178.378 176.117 -0.117 0.000 1.085 353 I CA 1.360 62.614 61.300 -0.077 0.000 1.347 353 I CB -0.537 37.422 38.000 -0.068 0.000 1.044 353 I HN 0.178 nan 8.210 nan 0.000 0.408 354 L N -0.005 121.144 121.223 -0.122 0.000 2.083 354 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 354 L C 2.497 179.322 176.870 -0.075 0.000 1.083 354 L CA 1.132 55.880 54.840 -0.153 0.000 0.752 354 L CB -0.563 41.445 42.059 -0.085 0.000 0.899 354 L HN 0.149 nan 8.230 nan 0.000 0.433 355 S N -0.597 115.063 115.700 -0.066 0.000 2.547 355 S HA -0.085 4.385 4.470 -0.000 0.000 0.235 355 S C 1.703 176.285 174.600 -0.030 0.000 0.980 355 S CA 0.879 59.056 58.200 -0.038 0.000 0.941 355 S CB -0.082 63.077 63.200 -0.067 0.000 0.763 355 S HN 0.387 nan 8.310 nan 0.000 0.532 356 K N 0.710 121.076 120.400 -0.057 0.000 2.334 356 K HA 0.146 4.466 4.320 -0.000 0.000 0.195 356 K C 0.367 176.930 176.600 -0.062 0.000 1.045 356 K CA 0.180 56.435 56.287 -0.053 0.000 1.004 356 K CB 0.272 32.736 32.500 -0.060 0.000 0.837 356 K HN 0.232 nan 8.250 nan 0.000 0.510 357 K N 1.645 121.976 120.400 -0.116 0.000 2.397 357 K HA -0.015 4.305 4.320 -0.000 0.000 0.265 357 K C -0.193 176.396 176.600 -0.018 0.000 0.982 357 K CA 0.401 56.597 56.287 -0.152 0.000 0.931 357 K CB 0.226 32.443 32.500 -0.471 0.000 0.943 357 K HN -0.024 nan 8.250 nan 0.000 0.501 358 K N 2.453 122.846 120.400 -0.012 0.000 3.311 358 K HA -0.309 4.011 4.320 -0.000 0.000 0.270 358 K C -0.760 175.854 176.600 0.022 0.000 0.927 358 K CA 0.528 56.831 56.287 0.027 0.000 0.706 358 K CB -1.532 31.014 32.500 0.078 0.000 1.418 358 K HN 0.756 nan 8.250 nan 0.000 0.459 359 N N -1.110 117.592 118.700 0.004 0.000 2.727 359 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 359 N C 0.668 176.180 175.510 0.003 0.000 1.048 359 N CA 1.557 54.608 53.050 0.002 0.000 0.714 359 N CB -1.192 37.299 38.487 0.007 0.000 0.959 359 N HN 0.934 nan 8.380 nan 0.000 0.544 360 G N -0.361 108.442 108.800 0.005 0.000 2.160 360 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.251 360 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.251 360 G C 0.553 175.461 174.900 0.012 0.000 1.008 360 G CA 0.468 45.571 45.100 0.004 0.000 0.724 360 G HN 0.545 nan 8.290 nan 0.000 0.514 361 N N -0.925 117.793 118.700 0.031 0.000 2.177 361 N HA 0.108 4.848 4.740 -0.000 0.000 0.218 361 N C 0.256 175.781 175.510 0.026 0.000 1.182 361 N CA -0.380 52.679 53.050 0.016 0.000 0.882 361 N CB 0.424 38.918 38.487 0.011 0.000 1.052 361 N HN 0.496 nan 8.380 nan 0.000 0.519 362 Y N 2.228 122.480 120.300 -0.081 0.000 2.677 362 Y HA -0.017 4.533 4.550 -0.000 0.000 0.335 362 Y C 0.535 176.363 175.900 -0.120 0.000 1.162 362 Y CA -0.659 57.376 58.100 -0.108 0.000 1.483 362 Y CB 0.192 38.575 38.460 -0.127 0.000 1.209 362 Y HN 0.064 nan 8.280 nan 0.000 0.528 363 C N 7.886 126.847 119.300 -0.564 0.000 2.657 363 C HA 0.427 4.887 4.460 -0.000 0.000 0.404 363 C C -0.327 174.339 174.990 -0.540 0.000 1.369 363 C CA -0.524 58.241 59.018 -0.421 0.000 1.665 363 C CB -2.100 25.503 27.740 -0.227 0.000 2.453 363 C HN 0.621 nan 8.230 nan 0.000 0.599 364 V N 8.711 128.449 119.914 -0.295 0.000 2.407 364 V HA 0.474 4.593 4.120 -0.000 0.000 0.291 364 V C -0.106 175.915 176.094 -0.121 0.000 1.018 364 V CA -0.287 61.859 62.300 -0.256 0.000 0.842 364 V CB 1.374 32.995 31.823 -0.336 0.000 0.996 364 V HN 0.728 nan 8.190 nan 0.000 0.426 365 L N 4.414 125.646 121.223 0.016 0.000 2.362 365 L HA 0.655 4.994 4.340 -0.000 0.000 0.271 365 L C -0.395 176.547 176.870 0.119 0.000 1.002 365 L CA -0.544 54.319 54.840 0.039 0.000 0.818 365 L CB 2.126 44.194 42.059 0.016 0.000 1.298 365 L HN 0.590 nan 8.230 nan 0.000 0.420 366 Q N 2.713 122.539 119.800 0.043 0.000 2.293 366 Q HA 0.569 4.909 4.340 -0.000 0.000 0.261 366 Q C -1.114 174.756 176.000 -0.217 0.000 0.960 366 Q CA -0.793 54.998 55.803 -0.021 0.000 0.882 366 Q CB 2.107 30.879 28.738 0.057 0.000 1.275 366 Q HN 0.570 nan 8.270 nan 0.000 0.445 367 M N 2.957 122.309 119.600 -0.412 0.000 2.578 367 M HA 0.322 4.801 4.480 -0.000 0.000 0.321 367 M C -1.318 174.728 176.300 -0.423 0.000 1.182 367 M CA -0.517 54.429 55.300 -0.590 0.000 0.965 367 M CB 1.794 33.630 32.600 -1.273 0.000 1.694 367 M HN 0.546 nan 8.290 nan 0.000 0.461 368 D N 3.150 123.390 120.400 -0.267 0.000 2.396 368 D HA 0.252 4.891 4.640 -0.000 0.000 0.225 368 D C 0.668 177.022 176.300 0.089 0.000 1.121 368 D CA 0.426 54.382 54.000 -0.073 0.000 0.853 368 D CB 1.593 42.382 40.800 -0.020 0.000 1.043 368 D HN 0.838 nan 8.370 nan 0.000 0.500 369 Q N 2.355 122.235 119.800 0.134 0.000 2.173 369 Q HA -0.250 4.090 4.340 -0.000 0.000 0.208 369 Q C 2.019 178.154 176.000 0.225 0.000 0.989 369 Q CA 2.436 58.413 55.803 0.289 0.000 0.872 369 Q CB -0.973 27.886 28.738 0.202 0.000 0.909 369 Q HN 0.670 nan 8.270 nan 0.000 0.420 370 S N -1.858 113.934 115.700 0.153 0.000 2.489 370 S HA 0.040 4.510 4.470 -0.000 0.000 0.228 370 S C 0.806 175.485 174.600 0.132 0.000 0.995 370 S CA 0.165 58.434 58.200 0.115 0.000 0.934 370 S CB -0.488 62.760 63.200 0.079 0.000 0.771 370 S HN 0.688 nan 8.310 nan 0.000 0.522 371 Y N 3.253 123.597 120.300 0.073 0.000 2.610 371 Y HA 0.341 4.891 4.550 -0.000 0.000 0.332 371 Y C -0.004 175.942 175.900 0.077 0.000 1.201 371 Y CA -0.019 58.120 58.100 0.064 0.000 1.465 371 Y CB 0.305 38.798 38.460 0.055 0.000 1.283 371 Y HN 0.131 nan 8.280 nan 0.000 0.563 372 K N 8.083 127.992 120.400 -0.818 0.000 2.482 372 K HA 0.374 4.694 4.320 -0.000 0.000 0.251 372 K C -2.596 173.468 176.600 -0.894 0.000 0.936 372 K CA -1.930 53.980 56.287 -0.627 0.000 0.791 372 K CB 1.792 34.127 32.500 -0.275 0.000 1.213 372 K HN 0.473 nan 8.250 nan 0.000 0.428 373 P HA 0.106 nan 4.420 nan 0.000 0.274 373 P C -0.939 176.279 177.300 -0.137 0.000 1.256 373 P CA -0.307 62.631 63.100 -0.270 0.000 0.795 373 P CB 0.701 32.378 31.700 -0.038 0.000 1.038 374 D N 0.821 121.194 120.400 -0.044 0.000 2.256 374 D HA 0.046 4.685 4.640 -0.000 0.000 0.250 374 D C 1.231 177.526 176.300 -0.008 0.000 1.093 374 D CA -0.218 53.769 54.000 -0.023 0.000 0.882 374 D CB 1.233 42.035 40.800 0.005 0.000 1.185 374 D HN 0.418 nan 8.370 nan 0.000 0.437 375 E N 0.753 120.946 120.200 -0.011 0.000 2.233 375 E HA -0.172 4.178 4.350 -0.000 0.000 0.199 375 E C 0.445 177.052 176.600 0.012 0.000 1.004 375 E CA 0.833 57.232 56.400 -0.001 0.000 0.819 375 E CB 0.204 29.900 29.700 -0.006 0.000 0.738 375 E HN 0.295 nan 8.360 nan 0.000 0.478 376 N N 1.137 119.845 118.700 0.014 0.000 2.438 376 N HA 0.052 4.792 4.740 -0.000 0.000 0.282 376 N C -1.034 174.494 175.510 0.029 0.000 1.037 376 N CA 0.105 53.168 53.050 0.021 0.000 0.942 376 N CB 1.044 39.541 38.487 0.017 0.000 1.136 376 N HN 0.096 nan 8.380 nan 0.000 0.481 377 E N 0.294 120.516 120.200 0.037 0.000 2.367 377 E HA 0.658 5.008 4.350 -0.000 0.000 0.273 377 E C -1.437 175.193 176.600 0.051 0.000 0.903 377 E CA -1.003 55.423 56.400 0.044 0.000 0.764 377 E CB 2.191 31.924 29.700 0.055 0.000 1.252 377 E HN 0.125 nan 8.360 nan 0.000 0.446 378 V N 1.081 121.029 119.914 0.056 0.000 3.087 378 V HA 0.710 4.829 4.120 -0.000 0.000 0.306 378 V C -1.709 174.443 176.094 0.097 0.000 1.187 378 V CA -0.654 61.692 62.300 0.076 0.000 0.999 378 V CB 2.053 33.916 31.823 0.067 0.000 1.049 378 V HN 0.891 nan 8.190 nan 0.000 0.431 379 R N 2.348 122.923 120.500 0.124 0.000 2.771 379 R HA 0.772 5.112 4.340 -0.000 0.000 0.274 379 R C -1.173 175.228 176.300 0.168 0.000 0.987 379 R CA -0.661 55.520 56.100 0.135 0.000 0.908 379 R CB 1.989 32.353 30.300 0.106 0.000 1.213 379 R HN 0.520 nan 8.270 nan 0.000 0.468 380 T N 2.107 116.758 114.554 0.161 0.000 2.907 380 T HA 0.493 4.843 4.350 -0.000 0.000 0.284 380 T C -1.049 173.686 174.700 0.058 0.000 1.004 380 T CA -0.464 61.702 62.100 0.111 0.000 1.063 380 T CB 0.948 69.895 68.868 0.131 0.000 0.992 380 T HN 0.383 nan 8.240 nan 0.000 0.483 381 L N 4.039 125.270 121.223 0.013 0.000 2.541 381 L HA 0.472 4.812 4.340 -0.000 0.000 0.266 381 L C -0.489 176.461 176.870 0.134 0.000 0.966 381 L CA -0.500 54.378 54.840 0.065 0.000 0.871 381 L CB 0.886 42.977 42.059 0.054 0.000 1.232 381 L HN 0.704 nan 8.230 nan 0.000 0.408 382 F N 5.344 125.263 119.950 -0.051 0.000 3.067 382 F HA -0.164 4.363 4.527 -0.000 0.000 0.279 382 F C 1.347 177.104 175.800 -0.072 0.000 0.945 382 F CA 1.574 59.544 58.000 -0.049 0.000 0.948 382 F CB -1.010 37.965 39.000 -0.042 0.000 0.898 382 F HN 0.963 nan 8.300 nan 0.000 0.746 383 G N 0.073 108.810 108.800 -0.104 0.000 2.189 383 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.267 383 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.267 383 G C 0.378 175.078 174.900 -0.333 0.000 0.975 383 G CA 0.333 45.305 45.100 -0.214 0.000 0.644 383 G HN 0.717 nan 8.290 nan 0.000 0.537 384 L N 0.659 121.714 121.223 -0.280 0.000 2.375 384 L HA 0.592 4.932 4.340 -0.000 0.000 0.268 384 L C 0.297 176.889 176.870 -0.464 0.000 1.058 384 L CA -1.253 53.397 54.840 -0.317 0.000 0.803 384 L CB 1.126 43.134 42.059 -0.085 0.000 1.212 384 L HN 0.084 nan 8.230 nan 0.000 0.451 385 H N 3.183 122.278 119.070 0.043 0.000 2.476 385 H HA 0.417 4.973 4.556 -0.000 0.000 0.328 385 H C -0.697 174.657 175.328 0.045 0.000 1.073 385 H CA -0.502 55.574 56.048 0.046 0.000 1.229 385 H CB 1.958 31.746 29.762 0.042 0.000 1.432 385 H HN 0.290 nan 8.280 nan 0.000 0.477 386 L N 2.718 124.029 121.223 0.147 0.000 2.276 386 L HA 0.204 4.544 4.340 -0.000 0.000 0.286 386 L C 0.472 177.402 176.870 0.101 0.000 1.024 386 L CA -0.360 54.541 54.840 0.102 0.000 0.826 386 L CB 1.413 43.518 42.059 0.076 0.000 1.211 386 L HN 0.423 nan 8.230 nan 0.000 0.422 387 S N 4.534 120.285 115.700 0.085 0.000 2.475 387 S HA 0.690 5.160 4.470 -0.000 0.000 0.298 387 S C -0.671 173.962 174.600 0.054 0.000 1.119 387 S CA -0.408 57.832 58.200 0.067 0.000 1.085 387 S CB 1.375 64.609 63.200 0.058 0.000 1.028 387 S HN 0.722 nan 8.310 nan 0.000 0.489 388 Q N 2.441 122.271 119.800 0.049 0.000 2.630 388 Q HA 0.444 4.784 4.340 -0.000 0.000 0.295 388 Q C -1.668 174.354 176.000 0.037 0.000 0.944 388 Q CA -1.188 54.641 55.803 0.043 0.000 0.766 388 Q CB 0.942 29.710 28.738 0.051 0.000 1.471 388 Q HN 0.581 nan 8.270 nan 0.000 0.416 389 K N 1.198 121.616 120.400 0.030 0.000 2.154 389 K HA 0.307 4.627 4.320 -0.000 0.000 0.264 389 K C -0.305 176.314 176.600 0.031 0.000 1.008 389 K CA -0.545 55.757 56.287 0.024 0.000 0.937 389 K CB 0.906 33.414 32.500 0.013 0.000 1.002 389 K HN 0.766 nan 8.250 nan 0.000 0.469 390 R N 1.707 122.227 120.500 0.032 0.000 2.637 390 R HA 0.073 4.412 4.340 -0.000 0.000 0.269 390 R C -0.303 176.015 176.300 0.031 0.000 1.089 390 R CA -0.560 55.567 56.100 0.045 0.000 1.177 390 R CB 0.180 30.512 30.300 0.053 0.000 1.091 390 R HN 0.505 nan 8.270 nan 0.000 0.540 391 N N 1.250 119.972 118.700 0.037 0.000 2.448 391 N HA 0.024 4.764 4.740 -0.000 0.000 0.250 391 N C -0.882 174.624 175.510 -0.007 0.000 1.136 391 N CA -0.188 52.863 53.050 0.001 0.000 0.953 391 N CB 0.268 38.743 38.487 -0.019 0.000 1.251 391 N HN 0.532 nan 8.380 nan 0.000 0.502 392 N N 1.695 120.388 118.700 -0.012 0.000 2.251 392 N HA 0.111 4.851 4.740 -0.000 0.000 0.217 392 N C 0.309 175.800 175.510 -0.031 0.000 1.124 392 N CA -0.107 52.936 53.050 -0.012 0.000 0.843 392 N CB 0.425 38.905 38.487 -0.012 0.000 1.024 392 N HN 0.557 nan 8.380 nan 0.000 0.501 393 G N 0.664 109.433 108.800 -0.052 0.000 2.287 393 G HA2 0.120 4.080 3.960 -0.000 0.000 0.235 393 G HA3 0.120 4.080 3.960 -0.000 0.000 0.235 393 G C 0.241 175.103 174.900 -0.063 0.000 1.258 393 G CA -0.000 45.058 45.100 -0.070 0.000 0.884 393 G HN -0.005 nan 8.290 nan 0.000 0.518 394 V N 2.599 122.472 119.914 -0.067 0.000 2.439 394 V HA 0.302 4.422 4.120 -0.000 0.000 0.282 394 V C 0.248 176.299 176.094 -0.071 0.000 1.039 394 V CA -0.616 61.651 62.300 -0.056 0.000 0.913 394 V CB 1.661 33.452 31.823 -0.052 0.000 0.983 394 V HN 0.486 nan 8.190 nan 0.000 0.460 395 V N 5.497 125.391 119.914 -0.034 0.000 2.284 395 V HA 0.488 4.608 4.120 -0.000 0.000 0.274 395 V C -0.533 175.589 176.094 0.047 0.000 1.023 395 V CA -0.424 61.870 62.300 -0.010 0.000 0.808 395 V CB 0.969 32.817 31.823 0.043 0.000 1.035 395 V HN 1.109 nan 8.190 nan 0.000 0.445 396 D N 3.562 123.984 120.400 0.037 0.000 2.652 396 D HA 0.479 5.119 4.640 -0.000 0.000 0.285 396 D C 1.043 177.445 176.300 0.169 0.000 1.173 396 D CA -0.118 53.934 54.000 0.086 0.000 0.981 396 D CB 1.616 42.431 40.800 0.024 0.000 1.440 396 D HN 0.133 nan 8.370 nan 0.000 0.485 397 K N 0.053 120.551 120.400 0.163 0.000 2.074 397 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 397 K C 2.008 178.708 176.600 0.166 0.000 1.048 397 K CA 2.524 58.940 56.287 0.216 0.000 0.926 397 K CB -1.441 31.117 32.500 0.097 0.000 0.713 397 K HN 0.473 nan 8.250 nan 0.000 0.444 398 S N 0.135 115.862 115.700 0.045 0.000 2.440 398 S HA -0.135 4.335 4.470 -0.000 0.000 0.240 398 S C 1.974 176.515 174.600 -0.098 0.000 1.014 398 S CA 1.491 59.682 58.200 -0.015 0.000 0.980 398 S CB -0.377 62.803 63.200 -0.032 0.000 0.775 398 S HN 0.531 nan 8.310 nan 0.000 0.499 399 L N 0.133 121.214 121.223 -0.237 0.000 2.275 399 L HA 0.269 4.609 4.340 -0.000 0.000 0.215 399 L C 0.499 176.955 176.870 -0.691 0.000 1.119 399 L CA 1.503 56.012 54.840 -0.552 0.000 0.790 399 L CB -0.353 41.179 42.059 -0.879 0.000 0.919 399 L HN 0.383 nan 8.230 nan 0.000 0.443 400 F N -1.408 118.528 119.950 -0.023 0.000 2.925 400 F HA 0.250 4.776 4.527 -0.000 0.000 0.302 400 F C 1.951 177.738 175.800 -0.021 0.000 1.189 400 F CA 0.252 58.240 58.000 -0.021 0.000 1.346 400 F CB -0.771 38.211 39.000 -0.029 0.000 0.954 400 F HN 0.077 nan 8.300 nan 0.000 0.506 401 S N -1.012 114.724 115.700 0.059 0.000 2.425 401 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 401 S C 1.096 175.715 174.600 0.031 0.000 1.024 401 S CA 0.350 58.574 58.200 0.041 0.000 0.951 401 S CB -0.401 62.803 63.200 0.006 0.000 0.796 401 S HN 0.334 nan 8.310 nan 0.000 0.498 402 N N 2.269 120.983 118.700 0.023 0.000 2.819 402 N HA 0.205 4.945 4.740 -0.000 0.000 0.284 402 N C -1.119 174.408 175.510 0.029 0.000 1.196 402 N CA -0.112 52.953 53.050 0.025 0.000 1.114 402 N CB -0.025 38.480 38.487 0.030 0.000 1.437 402 N HN 0.168 nan 8.380 nan 0.000 0.518 403 V N 3.188 123.112 119.914 0.018 0.000 2.455 403 V HA 0.039 4.159 4.120 -0.000 0.000 0.273 403 V C 1.490 177.565 176.094 -0.032 0.000 1.045 403 V CA -0.310 61.989 62.300 -0.001 0.000 0.976 403 V CB 1.137 32.967 31.823 0.011 0.000 0.993 403 V HN 0.508 nan 8.190 nan 0.000 0.475 404 V N 1.829 121.690 119.914 -0.089 0.000 3.565 404 V HA 0.128 4.247 4.120 -0.000 0.000 0.260 404 V C 0.989 177.037 176.094 -0.076 0.000 1.231 404 V CA 0.564 62.805 62.300 -0.098 0.000 1.100 404 V CB -0.259 31.445 31.823 -0.198 0.000 0.807 404 V HN 0.835 nan 8.190 nan 0.000 0.454 405 T N -0.780 113.731 114.554 -0.072 0.000 2.910 405 T HA 0.548 4.898 4.350 -0.000 0.000 0.293 405 T C 0.352 175.037 174.700 -0.024 0.000 1.015 405 T CA 0.204 62.277 62.100 -0.044 0.000 1.094 405 T CB 1.158 70.004 68.868 -0.038 0.000 0.968 405 T HN 0.707 nan 8.240 nan 0.000 0.521 406 K N 1.970 122.360 120.400 -0.018 0.000 2.146 406 K HA 0.208 4.528 4.320 -0.000 0.000 0.220 406 K C 0.335 176.931 176.600 -0.007 0.000 1.227 406 K CA -0.163 56.118 56.287 -0.011 0.000 1.185 406 K CB -1.574 30.920 32.500 -0.010 0.000 1.333 406 K HN 0.910 nan 8.250 nan 0.000 0.242 407 N N 0.697 119.395 118.700 -0.004 0.000 6.076 407 N HA -0.015 4.725 4.740 -0.000 0.000 0.131 407 N C -0.697 174.817 175.510 0.008 0.000 1.042 407 N CA -0.331 52.721 53.050 0.004 0.000 1.110 407 N CB 0.088 38.580 38.487 0.007 0.000 1.487 407 N HN 0.354 nan 8.380 nan 0.000 1.149 408 K N 0.102 120.505 120.400 0.006 0.000 2.414 408 K HA 0.237 4.557 4.320 -0.000 0.000 0.204 408 K C 0.082 176.684 176.600 0.004 0.000 1.026 408 K CA 0.350 56.641 56.287 0.007 0.000 1.108 408 K CB 0.442 32.943 32.500 0.003 0.000 0.855 408 K HN 0.587 nan 8.250 nan 0.000 0.517 409 D N 2.122 122.526 120.400 0.006 0.000 2.398 409 D HA 0.137 4.777 4.640 -0.000 0.000 0.250 409 D C -0.538 175.752 176.300 -0.018 0.000 1.287 409 D CA -0.158 53.839 54.000 -0.004 0.000 0.992 409 D CB -0.063 40.739 40.800 0.003 0.000 1.071 409 D HN -0.033 nan 8.370 nan 0.000 0.514 410 L N 3.514 124.706 121.223 -0.052 0.000 2.255 410 L HA 0.452 4.791 4.340 -0.000 0.000 0.289 410 L C -2.179 174.575 176.870 -0.192 0.000 1.046 410 L CA -2.224 52.536 54.840 -0.133 0.000 0.816 410 L CB 1.352 43.338 42.059 -0.121 0.000 1.197 410 L HN 0.185 nan 8.230 nan 0.000 0.427 411 P HA 0.047 nan 4.420 nan 0.000 0.267 411 P C 0.364 177.518 177.300 -0.244 0.000 1.201 411 P CA -0.131 62.826 63.100 -0.239 0.000 0.775 411 P CB 0.631 32.159 31.700 -0.286 0.000 0.854 412 E N 0.681 120.788 120.200 -0.154 0.000 2.150 412 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 412 E C 1.833 178.343 176.600 -0.149 0.000 0.985 412 E CA 1.671 57.992 56.400 -0.131 0.000 0.814 412 E CB -0.446 29.206 29.700 -0.079 0.000 0.752 412 E HN 0.583 nan 8.360 nan 0.000 0.466 413 S N 0.520 116.130 115.700 -0.150 0.000 2.387 413 S HA -0.007 4.463 4.470 -0.000 0.000 0.226 413 S C 2.260 176.738 174.600 -0.203 0.000 1.026 413 S CA 1.001 59.125 58.200 -0.127 0.000 0.972 413 S CB -0.145 63.012 63.200 -0.071 0.000 0.814 413 S HN 0.216 nan 8.310 nan 0.000 0.477 414 A N 2.054 124.649 122.820 -0.376 0.000 1.883 414 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 414 A C 2.259 179.595 177.584 -0.414 0.000 1.186 414 A CA 1.714 53.403 52.037 -0.580 0.000 0.624 414 A CB -1.043 17.112 19.000 -1.407 0.000 0.822 414 A HN 0.529 nan 8.150 nan 0.000 0.444 415 L N -0.165 120.832 121.223 -0.377 0.000 2.046 415 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 415 L C 2.524 179.214 176.870 -0.300 0.000 1.077 415 L CA 2.430 57.054 54.840 -0.360 0.000 0.747 415 L CB -0.569 41.349 42.059 -0.234 0.000 0.896 415 L HN 0.497 nan 8.230 nan 0.000 0.432 416 R N -0.591 119.791 120.500 -0.196 0.000 2.070 416 R HA -0.182 4.158 4.340 -0.000 0.000 0.233 416 R C 1.922 178.141 176.300 -0.135 0.000 1.137 416 R CA 2.010 58.032 56.100 -0.129 0.000 0.945 416 R CB -0.443 29.808 30.300 -0.082 0.000 0.845 416 R HN 0.418 nan 8.270 nan 0.000 0.430 417 D N 0.883 121.199 120.400 -0.139 0.000 2.104 417 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 417 D C 2.048 178.260 176.300 -0.145 0.000 0.994 417 D CA 1.187 55.122 54.000 -0.107 0.000 0.830 417 D CB -0.324 40.435 40.800 -0.068 0.000 0.959 417 D HN 0.298 nan 8.370 nan 0.000 0.452 418 L N 0.522 121.586 121.223 -0.264 0.000 2.127 418 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 418 L C 2.500 179.201 176.870 -0.281 0.000 1.089 418 L CA 0.638 55.257 54.840 -0.368 0.000 0.757 418 L CB -0.313 41.275 42.059 -0.785 0.000 0.899 418 L HN 0.064 nan 8.230 nan 0.000 0.434 419 I N -0.891 119.535 120.570 -0.239 0.000 2.202 419 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 419 I C 2.461 178.595 176.117 0.028 0.000 1.091 419 I CA 0.973 62.268 61.300 -0.009 0.000 1.368 419 I CB -0.252 37.748 38.000 0.000 0.000 1.058 419 I HN 0.023 nan 8.210 nan 0.000 0.410 420 V N 1.247 121.154 119.914 -0.012 0.000 2.332 420 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 420 V C 2.673 178.782 176.094 0.025 0.000 1.055 420 V CA 2.065 64.371 62.300 0.011 0.000 1.038 420 V CB -1.123 30.696 31.823 -0.006 0.000 0.651 420 V HN 0.496 nan 8.190 nan 0.000 0.450 421 A N -0.414 122.409 122.820 0.005 0.000 1.968 421 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 421 A C 2.355 179.963 177.584 0.040 0.000 1.169 421 A CA 2.027 54.072 52.037 0.014 0.000 0.638 421 A CB -0.689 18.300 19.000 -0.017 0.000 0.812 421 A HN 0.503 nan 8.150 nan 0.000 0.446 422 T N 0.046 114.645 114.554 0.074 0.000 2.896 422 T HA 0.051 4.400 4.350 -0.000 0.000 0.263 422 T C 1.756 176.493 174.700 0.063 0.000 1.050 422 T CA 1.114 63.273 62.100 0.097 0.000 1.140 422 T CB -0.257 68.748 68.868 0.228 0.000 0.877 422 T HN 0.396 nan 8.240 nan 0.000 0.457 423 I N 1.317 121.939 120.570 0.086 0.000 2.353 423 I HA -0.112 4.058 4.170 -0.000 0.000 0.248 423 I C 2.899 179.106 176.117 0.150 0.000 1.119 423 I CA 0.837 62.204 61.300 0.111 0.000 1.417 423 I CB -0.411 37.659 38.000 0.117 0.000 1.078 423 I HN 0.192 nan 8.210 nan 0.000 0.421 424 A N 0.429 123.318 122.820 0.115 0.000 1.902 424 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 424 A C 2.388 180.028 177.584 0.094 0.000 1.181 424 A CA 1.569 53.683 52.037 0.128 0.000 0.623 424 A CB -0.915 18.136 19.000 0.084 0.000 0.818 424 A HN 0.238 nan 8.150 nan 0.000 0.443 425 V N 0.223 120.162 119.914 0.042 0.000 2.626 425 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 425 V C 2.464 178.521 176.094 -0.062 0.000 1.067 425 V CA 2.182 64.485 62.300 0.006 0.000 1.081 425 V CB -0.573 31.249 31.823 -0.001 0.000 0.686 425 V HN 0.665 nan 8.190 nan 0.000 0.468 426 K N -0.707 119.612 120.400 -0.135 0.000 2.209 426 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 426 K C 1.081 177.243 176.600 -0.729 0.000 1.048 426 K CA 1.493 57.545 56.287 -0.391 0.000 0.940 426 K CB -0.019 32.194 32.500 -0.479 0.000 0.729 426 K HN 0.561 nan 8.250 nan 0.000 0.451 427 Y N -0.047 120.165 120.300 -0.147 0.000 2.681 427 Y HA 0.212 4.761 4.550 -0.000 0.000 0.267 427 Y C -0.332 175.532 175.900 -0.059 0.000 1.166 427 Y CA -0.307 57.631 58.100 -0.271 0.000 1.209 427 Y CB 1.069 39.511 38.460 -0.029 0.000 1.161 427 Y HN -0.210 nan 8.280 nan 0.000 0.534 428 T N 1.787 116.372 114.554 0.051 0.000 2.794 428 T HA 0.232 4.582 4.350 -0.000 0.000 0.280 428 T C -0.140 174.647 174.700 0.145 0.000 0.987 428 T CA -0.864 61.291 62.100 0.092 0.000 0.993 428 T CB 1.104 69.994 68.868 0.037 0.000 0.939 428 T HN -0.054 nan 8.240 nan 0.000 0.449 429 Q N 2.015 121.901 119.800 0.144 0.000 2.315 429 Q HA 0.162 4.502 4.340 -0.000 0.000 0.289 429 Q C 0.234 176.198 176.000 -0.060 0.000 1.044 429 Q CA 0.272 56.097 55.803 0.036 0.000 0.920 429 Q CB 0.383 29.158 28.738 0.061 0.000 1.214 429 Q HN 0.612 nan 8.270 nan 0.000 0.392 430 S N 2.336 117.867 115.700 -0.282 0.000 2.601 430 S HA 0.228 4.698 4.470 -0.000 0.000 0.271 430 S C 0.421 174.973 174.600 -0.079 0.000 1.305 430 S CA -0.767 57.289 58.200 -0.240 0.000 1.022 430 S CB 0.627 63.498 63.200 -0.549 0.000 0.940 430 S HN 0.433 nan 8.310 nan 0.000 0.525 431 N N 1.738 120.400 118.700 -0.064 0.000 2.482 431 N HA 0.306 5.046 4.740 -0.000 0.000 0.260 431 N C -0.328 175.194 175.510 0.020 0.000 1.236 431 N CA 0.091 53.118 53.050 -0.037 0.000 0.938 431 N CB 1.083 39.570 38.487 0.001 0.000 1.128 431 N HN 0.733 nan 8.380 nan 0.000 0.448 432 S N -0.625 115.109 115.700 0.057 0.000 2.564 432 S HA 0.752 5.222 4.470 -0.000 0.000 0.274 432 S C -0.864 173.781 174.600 0.074 0.000 1.124 432 S CA -0.755 57.481 58.200 0.060 0.000 0.869 432 S CB 1.682 64.909 63.200 0.045 0.000 1.105 432 S HN 0.179 nan 8.310 nan 0.000 0.472 433 V N 0.505 120.476 119.914 0.095 0.000 2.932 433 V HA 0.688 4.808 4.120 -0.000 0.000 0.307 433 V C -0.845 175.333 176.094 0.139 0.000 1.147 433 V CA -0.700 61.670 62.300 0.117 0.000 0.951 433 V CB 1.728 33.669 31.823 0.196 0.000 1.031 433 V HN 1.255 nan 8.190 nan 0.000 0.426 434 C N 4.080 123.436 119.300 0.093 0.000 2.626 434 C HA 0.820 5.279 4.460 -0.000 0.000 0.310 434 C C -1.510 173.515 174.990 0.058 0.000 1.191 434 C CA -0.510 58.578 59.018 0.116 0.000 1.517 434 C CB 1.199 28.971 27.740 0.054 0.000 2.102 434 C HN 0.795 nan 8.230 nan 0.000 0.479 435 Y N 3.137 123.419 120.300 -0.030 0.000 2.328 435 Y HA 0.667 5.217 4.550 -0.000 0.000 0.336 435 Y C 0.470 176.308 175.900 -0.105 0.000 0.960 435 Y CA -0.242 57.825 58.100 -0.055 0.000 1.134 435 Y CB 1.585 40.007 38.460 -0.064 0.000 1.166 435 Y HN 0.927 nan 8.280 nan 0.000 0.464 436 A N 3.786 126.607 122.820 0.002 0.000 2.454 436 A HA 0.906 5.226 4.320 -0.000 0.000 0.302 436 A C -1.233 176.317 177.584 -0.058 0.000 1.079 436 A CA -0.924 51.078 52.037 -0.058 0.000 0.731 436 A CB 2.029 21.001 19.000 -0.047 0.000 1.299 436 A HN 0.636 nan 8.150 nan 0.000 0.413 437 K N 1.649 121.998 120.400 -0.086 0.000 2.571 437 K HA 0.319 4.639 4.320 -0.000 0.000 0.252 437 K C -1.167 175.444 176.600 0.017 0.000 0.956 437 K CA -0.525 55.748 56.287 -0.025 0.000 0.822 437 K CB 0.690 33.181 32.500 -0.015 0.000 1.286 437 K HN 0.782 nan 8.250 nan 0.000 0.439 438 N N 2.553 121.280 118.700 0.045 0.000 2.726 438 N HA -0.165 4.575 4.740 -0.000 0.000 0.253 438 N C 0.312 175.854 175.510 0.054 0.000 1.059 438 N CA 1.404 54.497 53.050 0.071 0.000 0.701 438 N CB -1.391 37.181 38.487 0.142 0.000 0.899 438 N HN 1.128 nan 8.380 nan 0.000 0.548 439 G N -0.248 108.563 108.800 0.019 0.000 2.258 439 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.274 439 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.274 439 G C -0.041 174.869 174.900 0.016 0.000 1.021 439 G CA 1.378 46.487 45.100 0.015 0.000 0.798 439 G HN 1.042 nan 8.290 nan 0.000 0.507 440 Q N -1.889 117.906 119.800 -0.009 0.000 2.435 440 Q HA 0.661 5.001 4.340 -0.000 0.000 0.282 440 Q C -0.828 175.112 176.000 -0.101 0.000 1.020 440 Q CA -1.186 54.597 55.803 -0.034 0.000 0.820 440 Q CB 1.825 30.553 28.738 -0.017 0.000 1.436 440 Q HN 0.359 nan 8.270 nan 0.000 0.395 441 V N 3.990 123.849 119.914 -0.091 0.000 2.470 441 V HA 0.120 4.240 4.120 -0.000 0.000 0.276 441 V C 0.954 176.898 176.094 -0.249 0.000 1.040 441 V CA 0.149 62.387 62.300 -0.104 0.000 1.008 441 V CB 0.298 32.102 31.823 -0.032 0.000 0.990 441 V HN 0.825 nan 8.190 nan 0.000 0.477 442 I N 1.805 122.187 120.570 -0.313 0.000 4.070 442 I HA 0.640 4.810 4.170 -0.000 0.000 0.328 442 I C 0.840 176.820 176.117 -0.228 0.000 1.298 442 I CA 0.227 61.185 61.300 -0.570 0.000 1.173 442 I CB 0.654 38.133 38.000 -0.868 0.000 1.051 442 I HN 0.597 nan 8.210 nan 0.000 0.409 443 G N 1.997 110.752 108.800 -0.076 0.000 2.659 443 G HA2 0.576 4.536 3.960 -0.000 0.000 0.291 443 G HA3 0.576 4.536 3.960 -0.000 0.000 0.291 443 G C -2.029 172.903 174.900 0.054 0.000 1.379 443 G CA -0.294 44.779 45.100 -0.046 0.000 1.254 443 G HN 0.037 nan 8.290 nan 0.000 0.590 444 I N 2.299 122.889 120.570 0.034 0.000 2.439 444 I HA 0.732 4.902 4.170 -0.000 0.000 0.285 444 I C 0.358 176.506 176.117 0.052 0.000 1.021 444 I CA -0.896 60.440 61.300 0.060 0.000 1.091 444 I CB 1.724 39.743 38.000 0.032 0.000 1.242 444 I HN 0.569 nan 8.210 nan 0.000 0.439 445 G N 6.257 115.105 108.800 0.080 0.000 2.322 445 G HA2 0.771 4.731 3.960 -0.000 0.000 0.309 445 G HA3 0.771 4.731 3.960 -0.000 0.000 0.309 445 G C -1.020 173.913 174.900 0.055 0.000 1.121 445 G CA -0.158 44.981 45.100 0.065 0.000 0.886 445 G HN 0.909 nan 8.290 nan 0.000 0.447 446 A N 1.261 124.105 122.820 0.040 0.000 2.527 446 A HA 0.839 5.159 4.320 -0.000 0.000 0.293 446 A C 0.953 178.553 177.584 0.028 0.000 1.117 446 A CA 0.061 52.117 52.037 0.032 0.000 0.723 446 A CB 1.091 20.105 19.000 0.023 0.000 1.313 446 A HN 2.396 nan 8.150 nan 0.000 0.411 447 G N 0.489 109.303 108.800 0.023 0.000 2.402 447 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.300 447 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.300 447 G C 0.143 175.054 174.900 0.018 0.000 0.987 447 G CA 0.873 45.989 45.100 0.027 0.000 0.881 447 G HN 0.718 nan 8.290 nan 0.000 0.512 448 Q N -1.345 118.465 119.800 0.016 0.000 2.205 448 Q HA 0.464 4.804 4.340 -0.000 0.000 0.249 448 Q C 1.069 177.069 176.000 -0.001 0.000 0.948 448 Q CA -0.447 55.363 55.803 0.012 0.000 0.895 448 Q CB 0.949 29.701 28.738 0.025 0.000 1.249 448 Q HN 0.473 nan 8.270 nan 0.000 0.458 449 Q N 0.075 119.872 119.800 -0.005 0.000 2.320 449 Q HA 0.273 4.612 4.340 -0.000 0.000 0.201 449 Q C -0.005 175.991 176.000 -0.006 0.000 0.910 449 Q CA 0.188 55.981 55.803 -0.017 0.000 0.946 449 Q CB 0.788 29.513 28.738 -0.021 0.000 1.062 449 Q HN 0.690 nan 8.270 nan 0.000 0.503 450 S N -0.535 115.173 115.700 0.013 0.000 2.588 450 S HA 0.612 5.082 4.470 -0.000 0.000 0.275 450 S C 0.268 174.900 174.600 0.053 0.000 1.130 450 S CA -0.804 57.413 58.200 0.029 0.000 0.855 450 S CB 1.355 64.573 63.200 0.031 0.000 1.116 450 S HN -0.037 nan 8.310 nan 0.000 0.472 451 R N 1.067 121.612 120.500 0.076 0.000 2.062 451 R HA 0.108 4.447 4.340 -0.000 0.000 0.226 451 R C 2.283 178.663 176.300 0.134 0.000 1.125 451 R CA 2.415 58.592 56.100 0.128 0.000 0.966 451 R CB -1.380 29.025 30.300 0.175 0.000 0.861 451 R HN 1.096 nan 8.270 nan 0.000 0.433 452 I N 0.023 120.649 120.570 0.094 0.000 2.286 452 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 452 I C 2.517 178.667 176.117 0.055 0.000 1.115 452 I CA 2.753 64.089 61.300 0.060 0.000 1.392 452 I CB -2.286 35.735 38.000 0.035 0.000 1.065 452 I HN 0.701 nan 8.210 nan 0.000 0.418 453 H N -1.899 117.202 119.070 0.051 0.000 2.353 453 H HA -0.235 4.321 4.556 -0.000 0.000 0.300 453 H C 2.612 177.970 175.328 0.051 0.000 1.090 453 H CA 2.185 58.257 56.048 0.040 0.000 1.327 453 H CB -1.123 28.658 29.762 0.032 0.000 1.383 453 H HN 0.734 nan 8.280 nan 0.000 0.508 454 C N 0.216 119.561 119.300 0.074 0.000 2.473 454 C HA -0.125 4.335 4.460 -0.000 0.000 0.279 454 C C 3.151 178.217 174.990 0.125 0.000 1.250 454 C CA 1.962 61.036 59.018 0.094 0.000 1.713 454 C CB -0.803 27.005 27.740 0.113 0.000 2.066 454 C HN 0.781 nan 8.230 nan 0.000 0.474 455 T N 0.231 114.882 114.554 0.162 0.000 2.760 455 T HA -0.228 4.121 4.350 -0.000 0.000 0.269 455 T C 1.861 176.646 174.700 0.142 0.000 1.047 455 T CA 1.456 63.684 62.100 0.213 0.000 1.139 455 T CB -0.299 68.656 68.868 0.145 0.000 0.855 455 T HN 0.566 nan 8.240 nan 0.000 0.471 456 R N -0.076 120.459 120.500 0.059 0.000 2.075 456 R HA 0.200 4.540 4.340 -0.000 0.000 0.226 456 R C 2.510 178.781 176.300 -0.048 0.000 1.114 456 R CA 0.648 56.747 56.100 -0.002 0.000 0.972 456 R CB -0.437 29.865 30.300 0.003 0.000 0.869 456 R HN 0.324 nan 8.270 nan 0.000 0.437 457 L N 0.462 121.675 121.223 -0.017 0.000 1.994 457 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 457 L C 2.346 179.156 176.870 -0.100 0.000 1.071 457 L CA 1.781 56.599 54.840 -0.038 0.000 0.745 457 L CB -0.332 41.731 42.059 0.006 0.000 0.892 457 L HN 0.163 nan 8.230 nan 0.000 0.431 458 A N -0.414 122.366 122.820 -0.067 0.000 1.930 458 A HA -0.070 4.249 4.320 -0.000 0.000 0.217 458 A C 2.285 179.530 177.584 -0.565 0.000 1.175 458 A CA 1.310 53.256 52.037 -0.152 0.000 0.627 458 A CB -1.441 17.626 19.000 0.111 0.000 0.815 458 A HN 0.566 nan 8.150 nan 0.000 0.443 459 G N -0.019 108.429 108.800 -0.586 0.000 2.469 459 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.219 459 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.219 459 G C 1.203 175.786 174.900 -0.528 0.000 1.150 459 G CA 1.291 45.924 45.100 -0.779 0.000 0.763 459 G HN 0.479 nan 8.290 nan 0.000 0.561 460 D N 0.580 120.730 120.400 -0.416 0.000 2.103 460 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 460 D C 2.518 178.320 176.300 -0.830 0.000 0.978 460 D CA 0.742 54.401 54.000 -0.568 0.000 0.829 460 D CB -0.171 40.322 40.800 -0.513 0.000 0.981 460 D HN 0.292 nan 8.370 nan 0.000 0.464 461 K N 0.953 121.025 120.400 -0.547 0.000 2.113 461 K HA -0.116 4.203 4.320 -0.000 0.000 0.208 461 K C 2.128 178.668 176.600 -0.099 0.000 1.047 461 K CA 1.161 57.277 56.287 -0.284 0.000 0.928 461 K CB -0.080 32.365 32.500 -0.092 0.000 0.716 461 K HN 0.019 nan 8.250 nan 0.000 0.446 462 A N 2.119 124.819 122.820 -0.201 0.000 1.933 462 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 462 A C 1.829 179.522 177.584 0.183 0.000 1.175 462 A CA 1.455 53.469 52.037 -0.037 0.000 0.628 462 A CB -0.374 18.443 19.000 -0.306 0.000 0.814 462 A HN 0.254 nan 8.150 nan 0.000 0.444 463 N N -0.859 117.849 118.700 0.013 0.000 2.188 463 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 463 N C 1.669 177.430 175.510 0.419 0.000 1.018 463 N CA 1.594 54.764 53.050 0.199 0.000 0.858 463 N CB -0.542 37.986 38.487 0.067 0.000 0.989 463 N HN 0.775 nan 8.380 nan 0.000 0.426 464 Y N -0.727 119.724 120.300 0.253 0.000 2.145 464 Y HA -0.246 4.304 4.550 -0.000 0.000 0.286 464 Y C 2.516 178.611 175.900 0.324 0.000 1.145 464 Y CA 0.467 58.709 58.100 0.236 0.000 1.148 464 Y CB -0.425 38.140 38.460 0.175 0.000 0.981 464 Y HN 0.150 nan 8.280 nan 0.000 0.507 465 W N 0.863 122.384 121.300 0.368 0.000 2.317 465 W HA -0.310 4.349 4.660 -0.000 0.000 0.318 465 W C 2.556 179.379 176.519 0.506 0.000 1.227 465 W CA 1.723 59.288 57.345 0.366 0.000 1.269 465 W CB -0.942 28.698 29.460 0.300 0.000 1.155 465 W HN 0.301 nan 8.180 nan 0.000 0.484 466 W N 0.736 122.215 121.300 0.298 0.000 2.342 466 W HA -0.241 4.419 4.660 -0.000 0.000 0.297 466 W C 1.875 178.586 176.519 0.319 0.000 1.213 466 W CA 1.565 58.899 57.345 -0.017 0.000 1.251 466 W CB -0.614 28.934 29.460 0.147 0.000 1.136 466 W HN -0.088 nan 8.180 nan 0.000 0.526 467 L N 0.621 122.053 121.223 0.349 0.000 2.265 467 L HA -0.181 4.159 4.340 -0.000 0.000 0.215 467 L C 2.392 179.266 176.870 0.007 0.000 1.117 467 L CA 1.158 56.117 54.840 0.198 0.000 0.782 467 L CB -0.563 41.643 42.059 0.245 0.000 0.914 467 L HN -0.063 nan 8.230 nan 0.000 0.441 468 R N -1.484 119.048 120.500 0.053 0.000 2.323 468 R HA -0.072 4.268 4.340 -0.000 0.000 0.198 468 R C 1.555 177.745 176.300 -0.184 0.000 0.988 468 R CA 0.313 56.389 56.100 -0.040 0.000 1.041 468 R CB -0.101 30.192 30.300 -0.010 0.000 0.926 468 R HN 0.385 nan 8.270 nan 0.000 0.476 469 H N -1.349 117.487 119.070 -0.390 0.000 2.525 469 H HA 0.039 4.595 4.556 -0.000 0.000 0.275 469 H C 0.417 175.446 175.328 -0.498 0.000 0.984 469 H CA 0.182 55.960 56.048 -0.450 0.000 1.264 469 H CB -0.012 29.342 29.762 -0.680 0.000 1.432 469 H HN 0.082 nan 8.280 nan 0.000 0.549 470 H N 2.225 120.840 119.070 -0.758 0.000 3.125 470 H HA -0.061 4.495 4.556 -0.000 0.000 0.310 470 H C -1.641 173.297 175.328 -0.651 0.000 0.980 470 H CA -1.339 53.958 56.048 -1.251 0.000 1.422 470 H CB 1.031 30.016 29.762 -1.294 0.000 1.432 470 H HN 0.145 nan 8.280 nan 0.000 0.577 471 P HA -0.215 nan 4.420 nan 0.000 0.218 471 P C 1.163 178.403 177.300 -0.101 0.000 1.152 471 P CA 1.824 64.751 63.100 -0.290 0.000 0.857 471 P CB 0.170 31.672 31.700 -0.330 0.000 0.787 472 Q N -1.340 118.538 119.800 0.129 0.000 2.364 472 Q HA -0.054 4.286 4.340 -0.000 0.000 0.207 472 Q C 1.725 177.653 176.000 -0.120 0.000 0.970 472 Q CA 0.792 56.602 55.803 0.012 0.000 0.888 472 Q CB -0.185 28.561 28.738 0.012 0.000 0.951 472 Q HN 0.208 nan 8.270 nan 0.000 0.469 473 V N -0.166 119.677 119.914 -0.119 0.000 2.795 473 V HA -0.081 4.039 4.120 -0.000 0.000 0.243 473 V C 1.769 177.767 176.094 -0.160 0.000 1.069 473 V CA 0.724 62.916 62.300 -0.180 0.000 1.089 473 V CB -0.026 31.722 31.823 -0.125 0.000 0.756 473 V HN 0.295 nan 8.190 nan 0.000 0.471 474 L N 1.073 122.192 121.223 -0.172 0.000 2.376 474 L HA -0.064 4.276 4.340 -0.000 0.000 0.219 474 L C 2.467 179.239 176.870 -0.163 0.000 1.133 474 L CA 1.423 56.152 54.840 -0.185 0.000 0.816 474 L CB -0.434 41.494 42.059 -0.217 0.000 0.933 474 L HN 0.522 nan 8.230 nan 0.000 0.449 475 S N -1.376 114.239 115.700 -0.142 0.000 2.458 475 S HA 0.079 4.548 4.470 -0.000 0.000 0.223 475 S C 1.057 175.599 174.600 -0.097 0.000 1.019 475 S CA -0.271 57.858 58.200 -0.119 0.000 0.937 475 S CB -0.177 62.958 63.200 -0.108 0.000 0.788 475 S HN 0.181 nan 8.310 nan 0.000 0.511 476 M N 1.743 121.286 119.600 -0.095 0.000 2.185 476 M HA 0.048 4.527 4.480 -0.000 0.000 0.308 476 M C -0.119 176.183 176.300 0.003 0.000 0.967 476 M CA 0.809 56.096 55.300 -0.021 0.000 1.027 476 M CB 0.034 32.659 32.600 0.042 0.000 1.463 476 M HN 0.058 nan 8.290 nan 0.000 0.431 477 K N 1.889 122.339 120.400 0.082 0.000 2.764 477 K HA 0.394 4.713 4.320 -0.000 0.000 0.239 477 K C -0.721 175.872 176.600 -0.012 0.000 1.048 477 K CA 0.009 56.303 56.287 0.011 0.000 1.057 477 K CB 0.536 33.032 32.500 -0.006 0.000 1.251 477 K HN 0.621 nan 8.250 nan 0.000 0.524 478 F N 0.934 120.790 119.950 -0.157 0.000 2.406 478 F HA 0.589 5.115 4.527 -0.000 0.000 0.327 478 F C 1.156 176.849 175.800 -0.179 0.000 1.153 478 F CA -0.757 57.052 58.000 -0.318 0.000 1.218 478 F CB -0.079 38.678 39.000 -0.404 0.000 1.215 478 F HN 0.479 nan 8.300 nan 0.000 0.570 479 K N 0.508 120.798 120.400 -0.183 0.000 2.230 479 K HA 0.544 4.864 4.320 -0.000 0.000 0.253 479 K C 0.830 177.372 176.600 -0.097 0.000 1.008 479 K CA 0.125 56.345 56.287 -0.112 0.000 0.910 479 K CB -0.946 31.492 32.500 -0.103 0.000 0.994 479 K HN 2.186 nan 8.250 nan 0.000 0.495 480 T N 0.835 115.350 114.554 -0.066 0.000 3.953 480 T HA 0.461 4.811 4.350 -0.000 0.000 0.236 480 T C 0.763 175.432 174.700 -0.050 0.000 0.861 480 T CA 0.605 62.674 62.100 -0.051 0.000 0.909 480 T CB -0.965 67.881 68.868 -0.036 0.000 1.240 480 T HN 1.043 nan 8.240 nan 0.000 0.683 486 E N 0.816 120.999 120.200 -0.029 0.000 2.097 486 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 486 E C 1.749 178.324 176.600 -0.041 0.000 1.000 486 E CA 1.846 58.218 56.400 -0.045 0.000 0.804 486 E CB -1.043 28.626 29.700 -0.051 0.000 0.740 486 E HN 0.744 nan 8.360 nan 0.000 0.454 487 I N 0.876 121.415 120.570 -0.051 0.000 2.226 487 I HA -0.229 3.940 4.170 -0.000 0.000 0.245 487 I C 2.706 178.820 176.117 -0.005 0.000 1.100 487 I CA 1.530 62.792 61.300 -0.063 0.000 1.374 487 I CB -0.207 37.749 38.000 -0.073 0.000 1.057 487 I HN 0.219 nan 8.210 nan 0.000 0.413 488 S N 0.880 116.590 115.700 0.016 0.000 2.400 488 S HA -0.146 4.324 4.470 -0.000 0.000 0.232 488 S C 1.690 176.315 174.600 0.042 0.000 1.025 488 S CA 1.212 59.438 58.200 0.044 0.000 0.993 488 S CB -0.328 62.910 63.200 0.063 0.000 0.808 488 S HN 0.477 nan 8.310 nan 0.000 0.478 489 N N 1.647 120.359 118.700 0.020 0.000 2.173 489 N HA 0.102 4.842 4.740 -0.000 0.000 0.184 489 N C 1.993 177.550 175.510 0.077 0.000 1.025 489 N CA 1.116 54.180 53.050 0.023 0.000 0.852 489 N CB -0.672 37.811 38.487 -0.008 0.000 0.998 489 N HN 0.377 nan 8.380 nan 0.000 0.427 490 A N 2.110 125.009 122.820 0.132 0.000 1.859 490 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 490 A C 2.308 180.103 177.584 0.351 0.000 1.198 490 A CA 1.216 53.459 52.037 0.342 0.000 0.629 490 A CB -0.957 18.188 19.000 0.241 0.000 0.830 490 A HN 0.207 nan 8.150 nan 0.000 0.446 491 I N -0.208 120.493 120.570 0.220 0.000 2.335 491 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 491 I C 2.370 178.581 176.117 0.156 0.000 1.129 491 I CA 1.766 63.184 61.300 0.197 0.000 1.402 491 I CB -0.394 37.665 38.000 0.097 0.000 1.069 491 I HN 0.518 nan 8.210 nan 0.000 0.424 492 D N 0.807 121.257 120.400 0.084 0.000 2.091 492 D HA -0.225 4.415 4.640 -0.000 0.000 0.199 492 D C 2.280 178.532 176.300 -0.081 0.000 0.980 492 D CA 1.963 55.964 54.000 0.002 0.000 0.831 492 D CB 0.226 41.033 40.800 0.011 0.000 0.987 492 D HN 0.388 nan 8.370 nan 0.000 0.460 493 Q N 0.281 120.044 119.800 -0.062 0.000 2.096 493 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 493 Q C 2.064 177.913 176.000 -0.252 0.000 0.982 493 Q CA 1.938 57.633 55.803 -0.179 0.000 0.850 493 Q CB -1.606 27.001 28.738 -0.218 0.000 0.901 493 Q HN 0.631 nan 8.270 nan 0.000 0.422 494 Y N 1.315 121.448 120.300 -0.278 0.000 2.036 494 Y HA -0.233 4.317 4.550 -0.000 0.000 0.273 494 Y C 2.534 178.290 175.900 -0.240 0.000 1.135 494 Y CA 3.126 61.061 58.100 -0.275 0.000 1.106 494 Y CB -0.444 38.019 38.460 0.005 0.000 0.976 494 Y HN 0.271 nan 8.280 nan 0.000 0.483 495 V N -1.724 118.115 119.914 -0.124 0.000 2.867 495 V HA -0.169 3.951 4.120 -0.000 0.000 0.260 495 V C 1.793 177.651 176.094 -0.393 0.000 1.099 495 V CA 2.112 64.268 62.300 -0.240 0.000 1.122 495 V CB -1.839 29.954 31.823 -0.050 0.000 0.708 495 V HN 0.649 nan 8.190 nan 0.000 0.490 496 T N -3.230 111.043 114.554 -0.469 0.000 3.100 496 T HA 0.398 4.748 4.350 -0.000 0.000 0.253 496 T C 1.797 176.301 174.700 -0.326 0.000 1.118 496 T CA 0.799 62.573 62.100 -0.543 0.000 1.058 496 T CB 0.227 68.795 68.868 -0.500 0.000 0.953 496 T HN 1.393 nan 8.240 nan 0.000 0.515 497 G N 1.978 110.569 108.800 -0.350 0.000 2.220 497 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.269 497 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.269 497 G C 0.556 175.290 174.900 -0.277 0.000 0.977 497 G CA 0.594 45.506 45.100 -0.314 0.000 0.634 497 G HN 1.204 nan 8.290 nan 0.000 0.539 498 T N -0.714 113.685 114.554 -0.259 0.000 3.579 498 T HA 0.719 5.069 4.350 -0.000 0.000 0.328 498 T C 1.419 175.966 174.700 -0.255 0.000 1.481 498 T CA -0.144 61.829 62.100 -0.211 0.000 1.144 498 T CB 0.219 68.997 68.868 -0.150 0.000 1.205 498 T HN 0.314 nan 8.240 nan 0.000 0.812 499 I N 1.085 121.461 120.570 -0.324 0.000 3.339 499 I HA 0.396 4.565 4.170 -0.000 0.000 0.285 499 I C 1.523 177.517 176.117 -0.205 0.000 1.201 499 I CA 0.153 61.209 61.300 -0.406 0.000 1.434 499 I CB -0.155 37.392 38.000 -0.755 0.000 1.152 499 I HN 0.865 nan 8.210 nan 0.000 0.443 500 G N 1.910 110.617 108.800 -0.155 0.000 2.707 500 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.686 500 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.686 500 G C -0.705 174.170 174.900 -0.043 0.000 1.315 500 G CA -0.851 44.203 45.100 -0.077 0.000 0.832 500 G HN 0.082 nan 8.290 nan 0.000 0.573 501 E N 0.651 120.838 120.200 -0.021 0.000 2.284 501 E HA 0.649 4.999 4.350 -0.000 0.000 0.255 501 E C 1.291 177.901 176.600 0.016 0.000 1.052 501 E CA 0.873 57.271 56.400 -0.003 0.000 0.904 501 E CB -0.351 29.344 29.700 -0.009 0.000 1.217 501 E HN 1.951 nan 8.360 nan 0.000 0.438 502 D N 0.078 120.491 120.400 0.021 0.000 3.287 502 D HA -0.380 4.260 4.640 -0.000 0.000 0.177 502 D C 1.405 177.729 176.300 0.040 0.000 1.205 502 D CA 3.376 57.391 54.000 0.026 0.000 1.054 502 D CB -1.496 39.313 40.800 0.017 0.000 0.550 502 D HN 0.606 nan 8.370 nan 0.000 0.595 503 E N -0.193 120.028 120.200 0.034 0.000 2.208 503 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 503 E C 1.906 178.542 176.600 0.061 0.000 1.014 503 E CA 2.607 59.032 56.400 0.042 0.000 0.819 503 E CB -0.909 28.809 29.700 0.030 0.000 0.735 503 E HN 0.767 nan 8.360 nan 0.000 0.469 504 D N -0.295 120.140 120.400 0.058 0.000 2.085 504 D HA -0.039 4.601 4.640 -0.000 0.000 0.199 504 D C 2.438 178.823 176.300 0.142 0.000 0.981 504 D CA 2.076 56.122 54.000 0.077 0.000 0.834 504 D CB -0.913 39.908 40.800 0.035 0.000 0.992 504 D HN 0.545 nan 8.370 nan 0.000 0.457 505 L N 1.375 122.671 121.223 0.122 0.000 2.187 505 L HA -0.056 4.284 4.340 -0.000 0.000 0.213 505 L C 2.930 179.942 176.870 0.236 0.000 1.100 505 L CA 2.417 57.378 54.840 0.201 0.000 0.765 505 L CB -2.024 40.107 42.059 0.120 0.000 0.904 505 L HN 0.225 nan 8.230 nan 0.000 0.437 506 I N -0.554 120.103 120.570 0.145 0.000 2.162 506 I HA 0.035 4.204 4.170 -0.000 0.000 0.238 506 I C 3.034 179.222 176.117 0.119 0.000 1.076 506 I CA 2.967 64.331 61.300 0.106 0.000 1.353 506 I CB -1.755 36.284 38.000 0.066 0.000 1.063 506 I HN 0.612 nan 8.210 nan 0.000 0.408 507 K N -0.682 119.793 120.400 0.125 0.000 2.113 507 K HA -0.297 4.023 4.320 -0.000 0.000 0.208 507 K C 2.024 178.731 176.600 0.177 0.000 1.047 507 K CA 2.032 58.391 56.287 0.120 0.000 0.928 507 K CB -1.716 30.849 32.500 0.108 0.000 0.716 507 K HN 0.938 nan 8.250 nan 0.000 0.446 508 W N 1.411 122.750 121.300 0.064 0.000 2.409 508 W HA -0.063 4.597 4.660 -0.000 0.000 0.299 508 W C 2.685 179.332 176.519 0.213 0.000 1.203 508 W CA 2.863 60.281 57.345 0.123 0.000 1.298 508 W CB -0.034 29.500 29.460 0.124 0.000 1.127 508 W HN 0.330 nan 8.180 nan 0.000 0.528 509 K N 0.504 120.929 120.400 0.042 0.000 2.209 509 K HA 0.071 4.391 4.320 -0.000 0.000 0.204 509 K C 1.897 178.447 176.600 -0.083 0.000 1.048 509 K CA 1.753 57.946 56.287 -0.157 0.000 0.940 509 K CB -1.499 30.983 32.500 -0.030 0.000 0.729 509 K HN 0.386 nan 8.250 nan 0.000 0.451 510 A N 0.817 123.616 122.820 -0.035 0.000 2.070 510 A HA 0.084 4.404 4.320 -0.000 0.000 0.220 510 A C 2.348 179.886 177.584 -0.078 0.000 1.159 510 A CA 1.296 53.311 52.037 -0.037 0.000 0.656 510 A CB -0.336 18.657 19.000 -0.013 0.000 0.800 510 A HN 0.472 nan 8.150 nan 0.000 0.453 511 L N -1.686 119.448 121.223 -0.148 0.000 2.072 511 L HA 0.004 4.344 4.340 -0.000 0.000 0.205 511 L C 0.405 177.065 176.870 -0.350 0.000 1.079 511 L CA 0.154 54.814 54.840 -0.301 0.000 0.752 511 L CB -0.613 41.138 42.059 -0.514 0.000 0.906 511 L HN 0.287 nan 8.230 nan 0.000 0.436 512 F N 0.752 120.510 119.950 -0.321 0.000 2.471 512 F HA 0.200 4.727 4.527 -0.000 0.000 0.353 512 F C 1.683 177.368 175.800 -0.191 0.000 1.113 512 F CA 0.170 58.008 58.000 -0.270 0.000 1.262 512 F CB 0.193 38.981 39.000 -0.354 0.000 1.146 512 F HN -0.045 nan 8.300 nan 0.000 0.578 513 E N 1.010 121.225 120.200 0.024 0.000 2.230 513 E HA 0.236 4.586 4.350 -0.000 0.000 0.192 513 E C 0.654 177.248 176.600 -0.010 0.000 0.987 513 E CA 1.125 57.518 56.400 -0.012 0.000 0.841 513 E CB -0.632 29.051 29.700 -0.029 0.000 0.783 513 E HN 0.702 nan 8.360 nan 0.000 0.481 514 E N -0.162 120.041 120.200 0.006 0.000 2.316 514 E HA 0.564 4.914 4.350 -0.000 0.000 0.254 514 E C -0.622 175.911 176.600 -0.111 0.000 0.902 514 E CA -0.456 55.917 56.400 -0.045 0.000 0.801 514 E CB 1.049 30.721 29.700 -0.047 0.000 1.270 514 E HN 0.337 nan 8.360 nan 0.000 0.414 515 V N 5.355 125.167 119.914 -0.171 0.000 2.493 515 V HA 0.265 4.385 4.120 -0.000 0.000 0.292 515 V C -1.375 174.508 176.094 -0.352 0.000 1.016 515 V CA -0.574 61.520 62.300 -0.343 0.000 1.097 515 V CB 0.587 32.262 31.823 -0.246 0.000 0.947 515 V HN 0.800 nan 8.190 nan 0.000 0.479 516 P HA 0.559 nan 4.420 nan 0.000 0.285 516 P C -0.367 176.820 177.300 -0.187 0.000 1.269 516 P CA -0.307 62.578 63.100 -0.359 0.000 0.844 516 P CB 1.263 32.663 31.700 -0.501 0.000 1.094 517 E N 0.302 120.465 120.200 -0.060 0.000 2.351 517 E HA 0.581 4.931 4.350 -0.000 0.000 0.255 517 E C -0.145 176.558 176.600 0.171 0.000 1.188 517 E CA -0.276 56.142 56.400 0.029 0.000 0.940 517 E CB -0.016 29.685 29.700 0.002 0.000 1.094 517 E HN 0.714 nan 8.360 nan 0.000 0.474 518 L N 0.615 121.904 121.223 0.111 0.000 2.325 518 L HA 0.781 5.121 4.340 -0.000 0.000 0.278 518 L C 0.482 177.270 176.870 -0.137 0.000 1.023 518 L CA -0.938 53.911 54.840 0.015 0.000 0.811 518 L CB 0.447 42.455 42.059 -0.085 0.000 1.249 518 L HN 0.724 nan 8.230 nan 0.000 0.431 519 L N 1.647 122.677 121.223 -0.321 0.000 2.452 519 L HA 0.482 4.821 4.340 -0.000 0.000 0.267 519 L C 0.984 177.738 176.870 -0.194 0.000 1.188 519 L CA -0.425 54.257 54.840 -0.265 0.000 0.821 519 L CB 0.808 42.642 42.059 -0.374 0.000 1.102 519 L HN 0.885 nan 8.230 nan 0.000 0.470 520 T N -0.614 113.874 114.554 -0.110 0.000 2.874 520 T HA 0.109 4.459 4.350 -0.000 0.000 0.281 520 T C 0.968 175.635 174.700 -0.055 0.000 0.994 520 T CA -0.831 61.226 62.100 -0.071 0.000 1.015 520 T CB 1.331 70.181 68.868 -0.030 0.000 1.028 520 T HN 0.458 nan 8.240 nan 0.000 0.523 521 E N 0.747 120.922 120.200 -0.041 0.000 2.153 521 E HA -0.088 4.261 4.350 -0.000 0.000 0.194 521 E C 2.101 178.708 176.600 0.011 0.000 0.988 521 E CA 1.234 57.622 56.400 -0.020 0.000 0.811 521 E CB -0.529 29.160 29.700 -0.018 0.000 0.746 521 E HN 0.734 nan 8.360 nan 0.000 0.466 522 A N 0.568 123.397 122.820 0.015 0.000 2.095 522 A HA 0.084 4.404 4.320 -0.000 0.000 0.212 522 A C 2.214 179.836 177.584 0.063 0.000 1.162 522 A CA 1.192 53.252 52.037 0.038 0.000 0.753 522 A CB -0.299 18.718 19.000 0.029 0.000 0.840 522 A HN 0.274 nan 8.150 nan 0.000 0.468 523 E N 1.069 121.298 120.200 0.048 0.000 2.106 523 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 523 E C 1.944 178.625 176.600 0.136 0.000 0.984 523 E CA 1.645 58.091 56.400 0.078 0.000 0.806 523 E CB -0.574 29.137 29.700 0.019 0.000 0.750 523 E HN 0.747 nan 8.360 nan 0.000 0.458 524 K N -0.245 120.210 120.400 0.092 0.000 2.044 524 K HA 0.020 4.340 4.320 -0.000 0.000 0.204 524 K C 2.486 179.222 176.600 0.226 0.000 1.049 524 K CA 1.073 57.451 56.287 0.151 0.000 0.945 524 K CB 0.012 32.546 32.500 0.058 0.000 0.724 524 K HN 0.152 nan 8.250 nan 0.000 0.440 525 K N 1.155 121.643 120.400 0.147 0.000 2.209 525 K HA -0.182 4.138 4.320 -0.000 0.000 0.204 525 K C 2.052 178.738 176.600 0.143 0.000 1.048 525 K CA 1.048 57.414 56.287 0.132 0.000 0.940 525 K CB 0.054 32.602 32.500 0.080 0.000 0.729 525 K HN 0.258 nan 8.250 nan 0.000 0.451 526 E N 0.325 120.625 120.200 0.167 0.000 2.152 526 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 526 E C 1.598 178.328 176.600 0.217 0.000 0.983 526 E CA 0.570 57.066 56.400 0.160 0.000 0.818 526 E CB 0.036 29.832 29.700 0.160 0.000 0.758 526 E HN 0.479 nan 8.360 nan 0.000 0.467 527 W N 1.054 122.446 121.300 0.152 0.000 2.518 527 W HA -0.066 4.594 4.660 -0.000 0.000 0.273 527 W C 1.446 178.168 176.519 0.338 0.000 1.247 527 W CA 0.679 58.151 57.345 0.213 0.000 1.288 527 W CB 0.199 29.796 29.460 0.228 0.000 1.107 527 W HN -0.069 nan 8.180 nan 0.000 0.586 528 V N 2.016 122.092 119.914 0.270 0.000 2.358 528 V HA -0.266 3.853 4.120 -0.000 0.000 0.246 528 V C 2.840 178.950 176.094 0.026 0.000 1.047 528 V CA 2.839 65.278 62.300 0.231 0.000 1.035 528 V CB -1.619 30.335 31.823 0.217 0.000 0.658 528 V HN 0.281 nan 8.190 nan 0.000 0.452 529 E N 0.337 120.545 120.200 0.012 0.000 2.333 529 E HA -0.315 4.035 4.350 -0.000 0.000 0.200 529 E C 2.027 178.556 176.600 -0.119 0.000 1.010 529 E CA 1.720 58.092 56.400 -0.046 0.000 0.841 529 E CB -0.710 28.981 29.700 -0.015 0.000 0.757 529 E HN 0.721 nan 8.360 nan 0.000 0.508 530 K N -1.139 119.165 120.400 -0.159 0.000 2.217 530 K HA 0.110 4.430 4.320 -0.000 0.000 0.202 530 K C 0.822 177.189 176.600 -0.389 0.000 1.051 530 K CA 0.030 56.181 56.287 -0.227 0.000 0.952 530 K CB -0.229 32.089 32.500 -0.304 0.000 0.736 530 K HN 0.380 nan 8.250 nan 0.000 0.453 531 L N 2.113 122.967 121.223 -0.616 0.000 2.540 531 L HA -0.022 4.318 4.340 -0.000 0.000 0.276 531 L C -0.024 176.531 176.870 -0.524 0.000 1.212 531 L CA 1.148 55.385 54.840 -1.005 0.000 0.893 531 L CB 0.179 41.672 42.059 -0.943 0.000 1.138 531 L HN 0.214 nan 8.230 nan 0.000 0.491 532 T N 0.897 115.166 114.554 -0.474 0.000 2.821 532 T HA 0.494 4.844 4.350 -0.000 0.000 0.306 532 T C -0.462 174.109 174.700 -0.215 0.000 1.313 532 T CA -0.612 61.319 62.100 -0.283 0.000 1.012 532 T CB 1.159 69.899 68.868 -0.212 0.000 1.298 532 T HN 0.617 nan 8.240 nan 0.000 0.502 533 E N -0.383 119.706 120.200 -0.185 0.000 2.252 533 E HA -0.070 4.280 4.350 -0.000 0.000 0.199 533 E C -0.852 175.725 176.600 -0.038 0.000 1.352 533 E CA 0.136 56.477 56.400 -0.098 0.000 0.682 533 E CB -1.383 28.339 29.700 0.036 0.000 1.142 533 E HN 0.554 nan 8.360 nan 0.000 0.367 534 V N 1.151 120.995 119.914 -0.115 0.000 2.628 534 V HA 0.450 4.570 4.120 -0.000 0.000 0.306 534 V C 0.355 176.429 176.094 -0.033 0.000 1.045 534 V CA -0.574 61.699 62.300 -0.045 0.000 0.905 534 V CB 2.301 34.104 31.823 -0.032 0.000 0.997 534 V HN 0.270 nan 8.190 nan 0.000 0.436 535 S N 4.335 120.040 115.700 0.008 0.000 2.549 535 S HA 0.740 5.210 4.470 -0.000 0.000 0.297 535 S C -0.569 173.949 174.600 -0.138 0.000 1.115 535 S CA -0.486 57.713 58.200 -0.002 0.000 1.059 535 S CB 1.619 64.830 63.200 0.018 0.000 1.046 535 S HN 0.537 nan 8.310 nan 0.000 0.506 536 I N 1.505 121.976 120.570 -0.165 0.000 2.608 536 I HA 0.476 4.646 4.170 -0.000 0.000 0.295 536 I C -0.614 175.443 176.117 -0.099 0.000 1.049 536 I CA -0.293 60.844 61.300 -0.272 0.000 1.063 536 I CB 2.221 39.985 38.000 -0.393 0.000 1.248 536 I HN 0.559 nan 8.210 nan 0.000 0.424 537 S N 3.846 119.499 115.700 -0.078 0.000 2.594 537 S HA 0.522 4.991 4.470 -0.000 0.000 0.296 537 S C -0.980 173.593 174.600 -0.045 0.000 1.124 537 S CA -0.350 57.836 58.200 -0.022 0.000 1.011 537 S CB 1.643 64.854 63.200 0.018 0.000 1.016 537 S HN 0.594 nan 8.310 nan 0.000 0.485 538 S N 2.002 117.632 115.700 -0.116 0.000 2.537 538 S HA 0.369 4.839 4.470 -0.000 0.000 0.301 538 S C 0.592 175.099 174.600 -0.154 0.000 1.092 538 S CA -0.629 57.471 58.200 -0.166 0.000 1.048 538 S CB 1.052 63.967 63.200 -0.476 0.000 1.053 538 S HN 0.855 nan 8.310 nan 0.000 0.501 539 D N 2.484 122.830 120.400 -0.091 0.000 2.363 539 D HA 0.258 4.897 4.640 -0.000 0.000 0.220 539 D C 0.376 176.534 176.300 -0.237 0.000 0.994 539 D CA 0.397 54.337 54.000 -0.101 0.000 0.890 539 D CB -0.032 40.785 40.800 0.029 0.000 0.906 539 D HN 0.532 nan 8.370 nan 0.000 0.530 540 A N -0.484 122.179 122.820 -0.261 0.000 2.602 540 A HA 0.552 4.871 4.320 -0.000 0.000 0.290 540 A C -0.568 176.779 177.584 -0.395 0.000 1.114 540 A CA -1.087 50.712 52.037 -0.397 0.000 0.683 540 A CB 0.442 19.174 19.000 -0.447 0.000 1.281 540 A HN 0.134 nan 8.150 nan 0.000 0.416 541 F N -0.613 119.191 119.950 -0.244 0.000 2.587 541 F HA 0.621 5.148 4.527 -0.000 0.000 0.327 541 F C -0.694 175.016 175.800 -0.150 0.000 1.232 541 F CA -0.772 57.078 58.000 -0.248 0.000 1.353 541 F CB -0.185 38.711 39.000 -0.174 0.000 1.156 541 F HN 0.246 nan 8.300 nan 0.000 0.599 542 F N 3.105 123.301 119.950 0.409 0.000 2.405 542 F HA 0.358 4.885 4.527 -0.000 0.000 0.355 542 F C -1.374 174.662 175.800 0.394 0.000 1.121 542 F CA -2.697 55.476 58.000 0.287 0.000 1.112 542 F CB 0.718 39.824 39.000 0.177 0.000 1.126 542 F HN 0.302 nan 8.300 nan 0.000 0.481 543 P HA -0.044 nan 4.420 nan 0.000 0.212 543 P C 0.391 177.823 177.300 0.221 0.000 1.179 543 P CA 1.262 64.606 63.100 0.407 0.000 0.898 543 P CB 0.102 32.006 31.700 0.340 0.000 0.775 544 F N 1.083 121.131 119.950 0.163 0.000 2.497 544 F HA 0.517 5.043 4.527 -0.000 0.000 0.331 544 F C 2.051 177.875 175.800 0.040 0.000 1.060 544 F CA -0.847 57.204 58.000 0.084 0.000 0.989 544 F CB 0.151 39.186 39.000 0.059 0.000 1.245 544 F HN -0.073 nan 8.300 nan 0.000 0.486 545 R N -0.443 120.064 120.500 0.011 0.000 2.235 545 R HA -0.038 4.302 4.340 -0.000 0.000 0.213 545 R C 0.930 177.186 176.300 -0.075 0.000 1.059 545 R CA 1.741 57.822 56.100 -0.031 0.000 0.997 545 R CB -0.925 29.365 30.300 -0.016 0.000 0.884 545 R HN 0.706 nan 8.270 nan 0.000 0.462 546 D N 0.601 120.969 120.400 -0.054 0.000 2.265 546 D HA -0.217 4.423 4.640 -0.000 0.000 0.208 546 D C 1.110 177.341 176.300 -0.116 0.000 0.977 546 D CA 0.937 54.899 54.000 -0.063 0.000 0.871 546 D CB -0.443 40.337 40.800 -0.032 0.000 0.925 546 D HN 0.245 nan 8.370 nan 0.000 0.485 547 N N 0.299 118.882 118.700 -0.194 0.000 2.058 547 N HA -0.109 4.631 4.740 -0.000 0.000 0.191 547 N C 1.961 177.213 175.510 -0.430 0.000 1.037 547 N CA 1.527 54.353 53.050 -0.373 0.000 0.848 547 N CB -0.136 37.916 38.487 -0.726 0.000 1.021 547 N HN 0.166 nan 8.380 nan 0.000 0.422 548 V N 2.083 121.741 119.914 -0.427 0.000 2.343 548 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 548 V C 1.847 177.846 176.094 -0.159 0.000 1.051 548 V CA 1.560 63.688 62.300 -0.287 0.000 1.036 548 V CB -0.512 31.204 31.823 -0.178 0.000 0.654 548 V HN 0.222 nan 8.190 nan 0.000 0.451 549 D N -0.035 120.292 120.400 -0.123 0.000 2.123 549 D HA -0.199 4.441 4.640 -0.000 0.000 0.196 549 D C 2.353 178.616 176.300 -0.061 0.000 0.992 549 D CA 1.469 55.423 54.000 -0.076 0.000 0.833 549 D CB -0.148 40.617 40.800 -0.058 0.000 0.954 549 D HN 0.262 nan 8.370 nan 0.000 0.455 550 R N 1.227 121.688 120.500 -0.065 0.000 2.115 550 R HA 0.018 4.357 4.340 -0.000 0.000 0.226 550 R C 1.845 178.151 176.300 0.009 0.000 1.100 550 R CA 1.460 57.543 56.100 -0.028 0.000 0.980 550 R CB -0.585 29.703 30.300 -0.021 0.000 0.875 550 R HN 0.052 nan 8.270 nan 0.000 0.445 551 A N 0.428 123.245 122.820 -0.004 0.000 1.929 551 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 551 A C 1.998 179.598 177.584 0.027 0.000 1.176 551 A CA 1.477 53.554 52.037 0.068 0.000 0.628 551 A CB -0.457 18.521 19.000 -0.036 0.000 0.816 551 A HN 0.288 nan 8.150 nan 0.000 0.444 552 K N 1.147 121.526 120.400 -0.035 0.000 2.113 552 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 552 K C 1.992 178.567 176.600 -0.042 0.000 1.047 552 K CA 1.999 58.254 56.287 -0.054 0.000 0.928 552 K CB -0.345 32.118 32.500 -0.062 0.000 0.716 552 K HN 0.652 nan 8.250 nan 0.000 0.446 553 R N -1.147 119.340 120.500 -0.021 0.000 2.276 553 R HA 0.116 4.456 4.340 -0.000 0.000 0.203 553 R C 0.934 177.225 176.300 -0.015 0.000 1.017 553 R CA 1.158 57.246 56.100 -0.020 0.000 1.010 553 R CB -0.040 30.253 30.300 -0.011 0.000 0.900 553 R HN -0.068 nan 8.270 nan 0.000 0.469 554 S N 0.209 115.916 115.700 0.012 0.000 2.583 554 S HA 0.257 4.727 4.470 -0.000 0.000 0.239 554 S C 0.755 175.353 174.600 -0.003 0.000 0.966 554 S CA 0.230 58.439 58.200 0.014 0.000 0.973 554 S CB 1.073 64.294 63.200 0.035 0.000 0.794 554 S HN 0.723 nan 8.310 nan 0.000 0.463 555 G N 0.958 109.720 108.800 -0.063 0.000 2.136 555 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.242 555 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.242 555 G C 0.148 174.967 174.900 -0.135 0.000 0.989 555 G CA -0.034 44.987 45.100 -0.132 0.000 0.682 555 G HN 0.419 nan 8.290 nan 0.000 0.522 556 V N 0.125 119.983 119.914 -0.095 0.000 2.637 556 V HA 0.506 4.625 4.120 -0.000 0.000 0.296 556 V C 1.274 177.207 176.094 -0.268 0.000 1.046 556 V CA 1.438 63.643 62.300 -0.159 0.000 1.066 556 V CB 1.435 33.182 31.823 -0.126 0.000 0.968 556 V HN 1.136 nan 8.190 nan 0.000 0.483 557 A N 4.381 126.925 122.820 -0.461 0.000 2.295 557 A HA 0.397 4.717 4.320 -0.000 0.000 0.193 557 A C 0.039 177.168 177.584 -0.758 0.000 1.512 557 A CA 0.037 51.634 52.037 -0.733 0.000 1.103 557 A CB 0.543 18.836 19.000 -1.178 0.000 1.331 557 A HN 0.696 nan 8.150 nan 0.000 0.501 558 Y N -0.313 119.944 120.300 -0.072 0.000 2.346 558 Y HA 0.726 5.276 4.550 -0.000 0.000 0.332 558 Y C -0.547 175.311 175.900 -0.070 0.000 0.985 558 Y CA -0.820 57.235 58.100 -0.074 0.000 1.112 558 Y CB 1.530 39.929 38.460 -0.100 0.000 1.170 558 Y HN 0.011 nan 8.280 nan 0.000 0.447 559 I N 2.940 123.568 120.570 0.096 0.000 2.498 559 I HA 0.743 4.913 4.170 -0.000 0.000 0.290 559 I C -0.668 175.519 176.117 0.116 0.000 1.032 559 I CA -0.909 60.444 61.300 0.088 0.000 1.073 559 I CB 2.012 40.096 38.000 0.139 0.000 1.251 559 I HN 0.748 nan 8.210 nan 0.000 0.426 560 A N 5.114 128.001 122.820 0.111 0.000 2.331 560 A HA 0.982 5.302 4.320 -0.000 0.000 0.320 560 A C -0.754 176.871 177.584 0.068 0.000 1.138 560 A CA -0.389 51.757 52.037 0.181 0.000 0.790 560 A CB 1.416 20.622 19.000 0.344 0.000 1.206 560 A HN 0.880 nan 8.150 nan 0.000 0.470 561 A N 3.191 126.044 122.820 0.055 0.000 2.605 561 A HA 0.821 5.141 4.320 -0.000 0.000 0.294 561 A C -3.339 174.225 177.584 -0.032 0.000 1.062 561 A CA -1.273 50.704 52.037 -0.100 0.000 0.682 561 A CB 1.039 19.856 19.000 -0.305 0.000 1.278 561 A HN 0.501 nan 8.150 nan 0.000 0.410 562 P HA 0.336 nan 4.420 nan 0.000 0.272 562 P C 0.240 177.446 177.300 -0.157 0.000 1.230 562 P CA 0.060 63.093 63.100 -0.112 0.000 0.788 562 P CB 1.018 32.638 31.700 -0.133 0.000 0.949 563 S N 0.054 115.592 115.700 -0.269 0.000 2.677 563 S HA 0.727 5.197 4.470 -0.000 0.000 0.290 563 S C 0.494 174.910 174.600 -0.307 0.000 1.124 563 S CA -0.144 57.721 58.200 -0.559 0.000 1.017 563 S CB 0.150 62.933 63.200 -0.695 0.000 1.215 563 S HN 0.833 nan 8.310 nan 0.000 0.524 564 G N -0.403 108.143 108.800 -0.424 0.000 2.683 564 G HA2 0.128 4.088 3.960 -0.000 0.000 0.234 564 G HA3 0.128 4.088 3.960 -0.000 0.000 0.234 564 G C -0.285 174.069 174.900 -0.911 0.000 1.135 564 G CA 0.052 44.899 45.100 -0.420 0.000 0.975 564 G HN 1.187 nan 8.290 nan 0.000 0.511 565 S N -1.126 114.063 115.700 -0.851 0.000 2.627 565 S HA 0.864 5.334 4.470 -0.000 0.000 0.283 565 S C 1.386 175.756 174.600 -0.382 0.000 1.127 565 S CA 0.466 58.107 58.200 -0.930 0.000 0.863 565 S CB 1.620 64.201 63.200 -1.031 0.000 1.121 565 S HN 1.746 nan 8.310 nan 0.000 0.479 566 A N 1.903 124.580 122.820 -0.239 0.000 1.969 566 A HA 0.309 4.628 4.320 -0.000 0.000 0.218 566 A C 1.856 179.394 177.584 -0.076 0.000 1.169 566 A CA 1.593 53.562 52.037 -0.114 0.000 0.635 566 A CB -0.956 18.010 19.000 -0.057 0.000 0.810 566 A HN 1.278 nan 8.150 nan 0.000 0.445 567 A N -0.835 121.946 122.820 -0.065 0.000 2.275 567 A HA 0.216 4.536 4.320 -0.000 0.000 0.212 567 A C 1.197 178.783 177.584 0.003 0.000 1.201 567 A CA 0.800 52.830 52.037 -0.012 0.000 0.843 567 A CB -0.383 18.633 19.000 0.027 0.000 0.873 567 A HN 0.352 nan 8.150 nan 0.000 0.492 568 D N 0.550 120.925 120.400 -0.041 0.000 2.280 568 D HA -0.132 4.508 4.640 -0.000 0.000 0.206 568 D C 2.277 178.622 176.300 0.074 0.000 0.988 568 D CA 1.877 55.895 54.000 0.031 0.000 0.886 568 D CB 0.036 40.804 40.800 -0.053 0.000 0.914 568 D HN 0.560 nan 8.370 nan 0.000 0.473 569 K N 0.377 120.792 120.400 0.026 0.000 2.025 569 K HA 0.077 4.397 4.320 -0.000 0.000 0.207 569 K C 2.400 179.016 176.600 0.028 0.000 1.049 569 K CA 1.534 57.835 56.287 0.025 0.000 0.933 569 K CB -1.493 31.010 32.500 0.006 0.000 0.714 569 K HN 0.209 nan 8.250 nan 0.000 0.438 570 V N 0.768 120.697 119.914 0.025 0.000 2.307 570 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 570 V C 2.611 178.725 176.094 0.034 0.000 1.045 570 V CA 2.353 64.667 62.300 0.023 0.000 1.024 570 V CB -0.683 31.152 31.823 0.020 0.000 0.651 570 V HN 0.252 nan 8.190 nan 0.000 0.449 571 V N 0.143 120.094 119.914 0.061 0.000 2.324 571 V HA -0.351 3.769 4.120 -0.000 0.000 0.250 571 V C 2.435 178.568 176.094 0.065 0.000 1.060 571 V CA 2.439 64.791 62.300 0.087 0.000 1.042 571 V CB -0.639 31.294 31.823 0.184 0.000 0.650 571 V HN 0.705 nan 8.190 nan 0.000 0.450 572 I N -0.275 120.330 120.570 0.058 0.000 2.394 572 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 572 I C 2.490 178.606 176.117 -0.002 0.000 1.136 572 I CA 1.463 62.769 61.300 0.010 0.000 1.425 572 I CB -0.465 37.534 38.000 -0.001 0.000 1.079 572 I HN 0.430 nan 8.210 nan 0.000 0.425 573 E N 1.329 121.532 120.200 0.005 0.000 2.072 573 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 573 E C 2.409 179.004 176.600 -0.009 0.000 0.985 573 E CA 1.231 57.630 56.400 -0.003 0.000 0.801 573 E CB -0.234 29.466 29.700 -0.000 0.000 0.750 573 E HN 0.495 nan 8.360 nan 0.000 0.452 574 A N 0.948 123.764 122.820 -0.007 0.000 1.948 574 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 574 A C 2.370 179.939 177.584 -0.025 0.000 1.177 574 A CA 1.304 53.330 52.037 -0.018 0.000 0.636 574 A CB -0.895 18.092 19.000 -0.022 0.000 0.815 574 A HN 0.368 nan 8.150 nan 0.000 0.449 575 C N -0.700 118.588 119.300 -0.020 0.000 2.450 575 C HA -0.035 4.424 4.460 -0.000 0.000 0.279 575 C C 2.309 177.282 174.990 -0.028 0.000 1.335 575 C CA 0.818 59.821 59.018 -0.026 0.000 1.749 575 C CB -0.992 26.736 27.740 -0.019 0.000 1.963 575 C HN 0.597 nan 8.230 nan 0.000 0.501 576 D N 0.476 120.862 120.400 -0.023 0.000 2.117 576 D HA -0.134 4.505 4.640 -0.000 0.000 0.198 576 D C 2.081 178.367 176.300 -0.023 0.000 0.982 576 D CA 1.191 55.178 54.000 -0.021 0.000 0.828 576 D CB -0.446 40.344 40.800 -0.017 0.000 0.967 576 D HN 0.683 nan 8.370 nan 0.000 0.464 577 E N 0.967 121.153 120.200 -0.022 0.000 2.017 577 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 577 E C 2.002 178.584 176.600 -0.030 0.000 0.997 577 E CA 0.779 57.165 56.400 -0.023 0.000 0.804 577 E CB -0.155 29.532 29.700 -0.021 0.000 0.757 577 E HN 0.189 nan 8.360 nan 0.000 0.448 578 L N 0.108 121.309 121.223 -0.037 0.000 2.610 578 L HA 0.176 4.515 4.340 -0.000 0.000 0.232 578 L C 1.285 178.122 176.870 -0.056 0.000 1.149 578 L CA 0.341 55.153 54.840 -0.047 0.000 0.872 578 L CB -0.329 41.697 42.059 -0.054 0.000 0.992 578 L HN 0.519 nan 8.230 nan 0.000 0.447 579 G N 1.467 110.238 108.800 -0.048 0.000 2.246 579 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.273 579 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.273 579 G C 0.009 174.867 174.900 -0.070 0.000 1.055 579 G CA -0.040 45.029 45.100 -0.051 0.000 0.851 579 G HN 0.361 nan 8.290 nan 0.000 0.500 580 I N 0.034 120.565 120.570 -0.066 0.000 2.354 580 I HA 0.608 4.778 4.170 -0.000 0.000 0.292 580 I C 1.148 177.248 176.117 -0.027 0.000 0.989 580 I CA -0.906 60.347 61.300 -0.079 0.000 1.188 580 I CB 1.313 39.267 38.000 -0.077 0.000 1.342 580 I HN 0.216 nan 8.210 nan 0.000 0.457 581 I N 6.364 126.943 120.570 0.015 0.000 2.496 581 I HA 0.423 4.593 4.170 -0.000 0.000 0.285 581 I C -0.647 175.500 176.117 0.049 0.000 1.080 581 I CA -0.074 61.260 61.300 0.058 0.000 1.404 581 I CB 0.803 38.889 38.000 0.142 0.000 1.403 581 I HN 0.562 nan 8.210 nan 0.000 0.539 582 L N 5.720 126.946 121.223 0.005 0.000 2.346 582 L HA 0.893 5.232 4.340 -0.000 0.000 0.276 582 L C 0.322 177.170 176.870 -0.037 0.000 1.006 582 L CA -0.468 54.363 54.840 -0.014 0.000 0.817 582 L CB 1.772 43.780 42.059 -0.085 0.000 1.272 582 L HN 1.013 nan 8.230 nan 0.000 0.421 583 A N 3.625 126.466 122.820 0.036 0.000 2.310 583 A HA 0.511 4.830 4.320 -0.000 0.000 0.304 583 A C -1.046 176.620 177.584 0.136 0.000 1.231 583 A CA -0.395 51.692 52.037 0.084 0.000 0.799 583 A CB 0.075 19.203 19.000 0.213 0.000 1.162 583 A HN 0.893 nan 8.150 nan 0.000 0.486 584 H N 0.649 119.740 119.070 0.034 0.000 2.487 584 H HA 0.568 5.123 4.556 -0.000 0.000 0.333 584 H C 0.035 175.339 175.328 -0.041 0.000 1.114 584 H CA 0.103 56.150 56.048 -0.002 0.000 1.310 584 H CB 1.576 31.334 29.762 -0.006 0.000 1.462 584 H HN 0.602 nan 8.280 nan 0.000 0.516 585 T N 1.023 115.602 114.554 0.041 0.000 2.896 585 T HA 0.150 4.500 4.350 -0.000 0.000 0.297 585 T C -0.265 174.379 174.700 -0.093 0.000 1.108 585 T CA -1.024 61.034 62.100 -0.070 0.000 1.004 585 T CB 0.717 69.491 68.868 -0.156 0.000 1.159 585 T HN 0.750 nan 8.240 nan 0.000 0.499 586 N N 2.264 120.902 118.700 -0.103 0.000 2.455 586 N HA 0.370 5.110 4.740 -0.000 0.000 0.258 586 N C -0.873 174.569 175.510 -0.114 0.000 1.158 586 N CA -0.292 52.699 53.050 -0.097 0.000 0.893 586 N CB 0.232 38.671 38.487 -0.080 0.000 1.173 586 N HN 0.100 nan 8.380 nan 0.000 0.503 587 L N 0.733 121.873 121.223 -0.137 0.000 2.415 587 L HA 0.359 4.699 4.340 -0.000 0.000 0.268 587 L C -0.681 176.081 176.870 -0.180 0.000 0.984 587 L CA -0.695 54.053 54.840 -0.152 0.000 0.853 587 L CB 1.116 43.075 42.059 -0.166 0.000 1.215 587 L HN 0.087 nan 8.230 nan 0.000 0.419 588 R N 4.648 125.023 120.500 -0.209 0.000 2.312 588 R HA 0.589 4.929 4.340 -0.000 0.000 0.311 588 R C -0.979 175.142 176.300 -0.298 0.000 1.004 588 R CA -0.526 55.384 56.100 -0.317 0.000 0.902 588 R CB 0.749 30.792 30.300 -0.428 0.000 1.073 588 R HN 0.723 nan 8.270 nan 0.000 0.457 589 L N 5.830 126.877 121.223 -0.293 0.000 2.825 589 L HA 0.351 4.691 4.340 -0.000 0.000 0.236 589 L C -0.834 176.018 176.870 -0.030 0.000 1.301 589 L CA -0.569 54.167 54.840 -0.172 0.000 0.977 589 L CB 0.042 42.011 42.059 -0.150 0.000 1.300 589 L HN 0.436 nan 8.230 nan 0.000 0.486 590 F N 0.304 120.196 119.950 -0.097 0.000 2.443 590 F HA 0.277 4.804 4.527 -0.000 0.000 0.353 590 F C 0.604 176.341 175.800 -0.105 0.000 1.101 590 F CA -0.568 57.358 58.000 -0.122 0.000 1.226 590 F CB 0.411 39.368 39.000 -0.072 0.000 1.140 590 F HN 0.226 nan 8.300 nan 0.000 0.557 591 H N 3.529 122.501 119.070 -0.164 0.000 2.823 591 H HA 0.420 4.976 4.556 -0.000 0.000 0.332 591 H C -0.957 174.154 175.328 -0.362 0.000 0.980 591 H CA -0.302 55.643 56.048 -0.172 0.000 1.286 591 H CB 0.334 30.037 29.762 -0.099 0.000 1.541 591 H HN 0.530 nan 8.280 nan 0.000 0.521 592 H N 0.000 118.905 119.070 -0.275 0.000 2.539 592 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 592 H CA 0.000 55.910 56.048 -0.230 0.000 1.023 592 H CB 0.000 29.692 29.762 -0.117 0.000 1.292 592 H HN 0.000 nan 8.280 nan 0.000 0.496