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 2zyk_1_A DATA FIRST_RESID 17 DATA SEQUENCE KPDKLVVWEN ADDGVQLNNT KKWAGEFTKK TGIQVEVVPV ALLKQQEKLT DATA SEQUENCE LDGPAGKGAD LVTWPHDRLG EAVTKGLLQP IQVDNSVKNQ FDDVAMKALT DATA SEQUENCE YGGKLYGLPK AIESVALIYN KKLMGQVPAT YDELFQYAKA NNKPDEQKYG DATA SEQUENCE VLFEANNFYY TYFLFAAKGA AVFKEQDGTL DPNEIGLNSP EAVQGMNEVQ DATA SEQUENCE KWFTEARLPQ SLKADTVNGL FKSGKVAAVI NGPWAIKDYQ AAGINVGVAP DATA SEQUENCE LPKIDGKDAQ TFIGVKGWYL SAYSKYPKYA TELMQFLTSK EALASRFKET DATA SEQUENCE GEIPPQKELL NDPMIKNNPV VNGFAKQASK GVPMPSIPEM GVVWEPINNA DATA SEQUENCE HTFVAQGKQT PEQALNDAVK IMKEKIQTMK Q 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.578 176.600 -0.036 0.000 0.988 17 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 17 K CB 0.000 32.474 32.500 -0.044 0.000 1.064 18 P HA 0.258 nan 4.420 nan 0.000 0.247 18 P C -1.121 176.155 177.300 -0.039 0.000 1.756 18 P CA -0.056 63.035 63.100 -0.015 0.000 1.117 18 P CB 0.161 31.870 31.700 0.014 0.000 1.869 19 D N 1.650 121.994 120.400 -0.093 0.000 2.441 19 D HA 0.296 4.952 4.640 0.028 0.000 0.231 19 D C -0.666 175.530 176.300 -0.174 0.000 1.073 19 D CA -0.391 53.493 54.000 -0.193 0.000 0.850 19 D CB 0.753 41.401 40.800 -0.253 0.000 1.062 19 D HN 0.025 nan 8.370 nan 0.000 0.524 20 K N 3.654 123.952 120.400 -0.170 0.000 2.426 20 K HA 0.530 4.867 4.320 0.028 0.000 0.251 20 K C -1.362 175.169 176.600 -0.115 0.000 0.941 20 K CA -0.833 55.394 56.287 -0.101 0.000 0.808 20 K CB 1.495 33.980 32.500 -0.024 0.000 1.265 20 K HN 0.409 nan 8.250 nan 0.000 0.432 21 L N 3.061 124.237 121.223 -0.078 0.000 2.346 21 L HA 0.533 4.890 4.340 0.028 0.000 0.276 21 L C -0.797 176.047 176.870 -0.043 0.000 1.006 21 L CA -1.229 53.576 54.840 -0.059 0.000 0.817 21 L CB 2.104 44.110 42.059 -0.090 0.000 1.272 21 L HN 0.293 nan 8.230 nan 0.000 0.421 22 V N 3.717 123.603 119.914 -0.048 0.000 2.448 22 V HA 0.461 4.598 4.120 0.028 0.000 0.295 22 V C -0.201 175.821 176.094 -0.119 0.000 1.025 22 V CA -0.651 61.621 62.300 -0.047 0.000 0.859 22 V CB 2.146 33.952 31.823 -0.029 0.000 0.988 22 V HN 0.402 nan 8.190 nan 0.000 0.431 23 V N 3.687 123.577 119.914 -0.040 0.000 2.448 23 V HA 0.476 4.612 4.120 0.028 0.000 0.295 23 V C -1.026 175.234 176.094 0.277 0.000 1.025 23 V CA -0.654 61.633 62.300 -0.022 0.000 0.859 23 V CB 2.060 33.801 31.823 -0.136 0.000 0.988 23 V HN 0.826 nan 8.190 nan 0.000 0.431 24 W N 3.162 124.567 121.300 0.176 0.000 2.335 24 W HA 0.673 5.350 4.660 0.028 0.000 0.307 24 W C 0.141 176.832 176.519 0.286 0.000 1.117 24 W CA -0.869 56.597 57.345 0.203 0.000 1.228 24 W CB 1.117 30.695 29.460 0.197 0.000 1.240 24 W HN 0.546 nan 8.180 nan 0.000 0.468 25 E N 2.114 122.562 120.200 0.415 0.000 2.256 25 E HA 0.220 4.587 4.350 0.028 0.000 0.267 25 E C -0.457 176.229 176.600 0.143 0.000 0.892 25 E CA -0.902 55.676 56.400 0.296 0.000 0.775 25 E CB 0.893 30.782 29.700 0.315 0.000 1.207 25 E HN 0.256 nan 8.360 nan 0.000 0.420 26 N N 2.113 120.852 118.700 0.065 0.000 2.301 26 N HA -0.018 4.739 4.740 0.028 0.000 0.267 26 N C -0.804 174.712 175.510 0.009 0.000 1.304 26 N CA 0.707 53.762 53.050 0.008 0.000 0.851 26 N CB 0.521 38.983 38.487 -0.042 0.000 1.070 26 N HN 0.513 nan 8.380 nan 0.000 0.483 27 A N 3.686 126.498 122.820 -0.013 0.000 3.030 27 A HA 0.020 4.357 4.320 0.028 0.000 0.273 27 A C 0.689 178.263 177.584 -0.016 0.000 1.841 27 A CA -0.221 51.807 52.037 -0.014 0.000 1.479 27 A CB -0.545 18.433 19.000 -0.037 0.000 1.048 27 A HN 0.815 nan 8.150 nan 0.000 0.612 28 D N 0.538 120.936 120.400 -0.004 0.000 2.349 28 D HA -0.068 4.588 4.640 0.028 0.000 0.214 28 D C 0.294 176.599 176.300 0.007 0.000 1.063 28 D CA 0.122 54.119 54.000 -0.004 0.000 0.847 28 D CB -0.246 40.551 40.800 -0.004 0.000 0.933 28 D HN 0.460 nan 8.370 nan 0.000 0.513 29 D N -0.120 120.286 120.400 0.011 0.000 2.782 29 D HA -0.168 4.488 4.640 0.028 0.000 0.231 29 D C 0.492 176.804 176.300 0.021 0.000 1.163 29 D CA 1.397 55.406 54.000 0.016 0.000 0.680 29 D CB -0.942 39.864 40.800 0.011 0.000 1.062 29 D HN 0.587 nan 8.370 nan 0.000 0.425 30 G N -1.974 106.841 108.800 0.025 0.000 3.046 30 G HA2 0.225 4.202 3.960 0.028 0.000 0.137 30 G HA3 0.225 4.202 3.960 0.028 0.000 0.137 30 G C 0.681 175.601 174.900 0.034 0.000 1.207 30 G CA 0.257 45.373 45.100 0.027 0.000 1.218 30 G HN 0.110 nan 8.290 nan 0.000 0.625 31 V N 1.204 121.135 119.914 0.029 0.000 2.407 31 V HA -0.143 3.994 4.120 0.028 0.000 0.248 31 V C 2.896 179.019 176.094 0.048 0.000 1.055 31 V CA 2.870 65.190 62.300 0.033 0.000 1.049 31 V CB -0.469 31.362 31.823 0.014 0.000 0.662 31 V HN 0.620 nan 8.190 nan 0.000 0.455 32 Q N -1.067 118.757 119.800 0.040 0.000 2.049 32 Q HA -0.165 4.191 4.340 0.028 0.000 0.198 32 Q C 2.239 178.292 176.000 0.087 0.000 0.971 32 Q CA 1.427 57.259 55.803 0.049 0.000 0.833 32 Q CB -0.331 28.415 28.738 0.012 0.000 0.896 32 Q HN 0.498 nan 8.270 nan 0.000 0.434 33 L N 1.729 122.998 121.223 0.078 0.000 2.012 33 L HA -0.211 4.146 4.340 0.028 0.000 0.210 33 L C 1.907 178.845 176.870 0.114 0.000 1.073 33 L CA 2.053 56.953 54.840 0.100 0.000 0.748 33 L CB -0.730 41.372 42.059 0.072 0.000 0.891 33 L HN 0.165 nan 8.230 nan 0.000 0.431 34 N N -0.362 118.395 118.700 0.093 0.000 2.084 34 N HA -0.248 4.509 4.740 0.028 0.000 0.190 34 N C 1.854 177.441 175.510 0.128 0.000 1.030 34 N CA 1.647 54.752 53.050 0.091 0.000 0.849 34 N CB -0.375 38.152 38.487 0.066 0.000 1.012 34 N HN 0.468 nan 8.380 nan 0.000 0.423 35 N N -0.918 117.879 118.700 0.162 0.000 2.104 35 N HA -0.126 4.631 4.740 0.028 0.000 0.190 35 N C 0.885 176.610 175.510 0.358 0.000 1.024 35 N CA 1.672 54.877 53.050 0.258 0.000 0.853 35 N CB -0.113 38.521 38.487 0.245 0.000 1.008 35 N HN 0.291 nan 8.380 nan 0.000 0.424 36 T N 0.823 115.555 114.554 0.297 0.000 2.904 36 T HA 0.007 4.373 4.350 0.028 0.000 0.267 36 T C 1.823 176.671 174.700 0.248 0.000 1.059 36 T CA 0.732 63.027 62.100 0.325 0.000 1.137 36 T CB 0.075 69.165 68.868 0.370 0.000 0.879 36 T HN 0.275 nan 8.240 nan 0.000 0.467 37 K N 1.060 121.571 120.400 0.186 0.000 2.057 37 K HA -0.050 4.287 4.320 0.028 0.000 0.207 37 K C 2.378 179.043 176.600 0.110 0.000 1.049 37 K CA 1.034 57.398 56.287 0.128 0.000 0.931 37 K CB -0.049 32.508 32.500 0.095 0.000 0.714 37 K HN 0.195 nan 8.250 nan 0.000 0.440 38 K N 0.170 120.628 120.400 0.097 0.000 1.978 38 K HA -0.187 4.150 4.320 0.028 0.000 0.214 38 K C 1.824 178.419 176.600 -0.009 0.000 1.049 38 K CA 1.853 58.129 56.287 -0.019 0.000 0.939 38 K CB -0.201 32.234 32.500 -0.108 0.000 0.721 38 K HN 0.189 nan 8.250 nan 0.000 0.441 39 W N 0.402 121.797 121.300 0.157 0.000 2.421 39 W HA -0.051 4.626 4.660 0.028 0.000 0.270 39 W C 2.198 178.910 176.519 0.322 0.000 1.233 39 W CA 0.856 58.353 57.345 0.255 0.000 1.226 39 W CB -0.102 29.466 29.460 0.180 0.000 1.121 39 W HN 0.283 nan 8.180 nan 0.000 0.579 40 A N 0.022 123.048 122.820 0.344 0.000 2.067 40 A HA 0.088 4.425 4.320 0.028 0.000 0.217 40 A C 2.236 179.920 177.584 0.165 0.000 1.156 40 A CA 1.522 53.677 52.037 0.196 0.000 0.683 40 A CB -1.135 17.915 19.000 0.083 0.000 0.808 40 A HN 0.282 nan 8.150 nan 0.000 0.455 41 G N -0.562 108.315 108.800 0.129 0.000 2.430 41 G HA2 -0.076 3.900 3.960 0.028 0.000 0.216 41 G HA3 -0.076 3.900 3.960 0.028 0.000 0.216 41 G C 1.342 176.271 174.900 0.049 0.000 1.146 41 G CA 0.676 45.814 45.100 0.064 0.000 0.793 41 G HN 0.458 nan 8.290 nan 0.000 0.537 42 E N 0.276 120.537 120.200 0.102 0.000 2.072 42 E HA -0.075 4.291 4.350 0.028 0.000 0.191 42 E C 2.028 178.599 176.600 -0.049 0.000 0.985 42 E CA 0.352 56.812 56.400 0.100 0.000 0.801 42 E CB -0.386 29.477 29.700 0.273 0.000 0.750 42 E HN 0.473 nan 8.360 nan 0.000 0.452 43 F N 2.228 121.969 119.950 -0.349 0.000 2.126 43 F HA -0.199 4.345 4.527 0.028 0.000 0.299 43 F C 2.308 177.911 175.800 -0.328 0.000 1.096 43 F CA 1.681 59.267 58.000 -0.689 0.000 1.255 43 F CB -0.185 38.455 39.000 -0.601 0.000 0.997 43 F HN -0.083 nan 8.300 nan 0.000 0.479 44 T N -0.068 114.479 114.554 -0.012 0.000 2.867 44 T HA -0.190 4.177 4.350 0.028 0.000 0.268 44 T C 1.936 176.556 174.700 -0.133 0.000 1.057 44 T CA 1.443 63.505 62.100 -0.063 0.000 1.136 44 T CB -0.222 68.652 68.868 0.009 0.000 0.874 44 T HN 0.234 nan 8.240 nan 0.000 0.466 45 K N 1.045 121.374 120.400 -0.118 0.000 2.103 45 K HA -0.015 4.322 4.320 0.028 0.000 0.204 45 K C 2.350 178.857 176.600 -0.154 0.000 1.052 45 K CA 1.052 57.275 56.287 -0.107 0.000 0.945 45 K CB 0.009 32.471 32.500 -0.064 0.000 0.722 45 K HN 0.183 nan 8.250 nan 0.000 0.443 46 K N -0.204 120.053 120.400 -0.240 0.000 2.116 46 K HA -0.071 4.265 4.320 0.028 0.000 0.203 46 K C 1.639 178.042 176.600 -0.329 0.000 1.052 46 K CA 1.734 57.862 56.287 -0.265 0.000 0.952 46 K CB 0.148 32.460 32.500 -0.314 0.000 0.729 46 K HN 0.259 nan 8.250 nan 0.000 0.446 47 T N -4.593 109.672 114.554 -0.481 0.000 2.971 47 T HA 0.265 4.631 4.350 0.028 0.000 0.252 47 T C 1.375 175.896 174.700 -0.299 0.000 1.022 47 T CA 0.587 62.410 62.100 -0.462 0.000 0.980 47 T CB 0.679 69.067 68.868 -0.800 0.000 1.044 47 T HN 0.364 nan 8.240 nan 0.000 0.501 48 G N 1.876 110.526 108.800 -0.250 0.000 2.253 48 G HA2 -0.199 3.778 3.960 0.028 0.000 0.251 48 G HA3 -0.199 3.778 3.960 0.028 0.000 0.251 48 G C 0.061 174.871 174.900 -0.149 0.000 0.998 48 G CA 0.040 45.041 45.100 -0.166 0.000 0.621 48 G HN 0.572 nan 8.290 nan 0.000 0.524 49 I N 2.155 122.620 120.570 -0.176 0.000 2.598 49 I HA 0.177 4.363 4.170 0.028 0.000 0.284 49 I C 0.616 176.709 176.117 -0.039 0.000 1.140 49 I CA -0.412 60.818 61.300 -0.116 0.000 1.420 49 I CB 0.502 38.470 38.000 -0.053 0.000 1.387 49 I HN 0.155 nan 8.210 nan 0.000 0.553 50 Q N 5.781 125.545 119.800 -0.060 0.000 2.271 50 Q HA 0.225 4.582 4.340 0.028 0.000 0.273 50 Q C -0.482 175.512 176.000 -0.011 0.000 1.051 50 Q CA -0.062 55.723 55.803 -0.030 0.000 0.901 50 Q CB 1.171 29.884 28.738 -0.040 0.000 1.174 50 Q HN 0.365 nan 8.270 nan 0.000 0.385 51 V N 2.848 122.773 119.914 0.018 0.000 2.349 51 V HA 0.197 4.333 4.120 0.028 0.000 0.284 51 V C 0.200 176.301 176.094 0.012 0.000 1.014 51 V CA -0.736 61.565 62.300 0.002 0.000 0.826 51 V CB 1.492 33.312 31.823 -0.004 0.000 1.009 51 V HN 0.674 nan 8.190 nan 0.000 0.431 52 E N 3.569 123.779 120.200 0.017 0.000 2.283 52 E HA 0.499 4.865 4.350 0.028 0.000 0.278 52 E C -1.237 175.406 176.600 0.072 0.000 1.027 52 E CA -0.424 56.005 56.400 0.048 0.000 0.843 52 E CB 1.706 31.443 29.700 0.062 0.000 1.062 52 E HN 0.490 nan 8.360 nan 0.000 0.401 53 V N 5.578 125.549 119.914 0.095 0.000 2.304 53 V HA 0.185 4.322 4.120 0.028 0.000 0.278 53 V C -0.312 175.878 176.094 0.161 0.000 1.018 53 V CA -0.823 61.557 62.300 0.135 0.000 0.814 53 V CB 1.201 33.096 31.823 0.121 0.000 1.021 53 V HN 0.454 nan 8.190 nan 0.000 0.440 54 V N 7.486 127.544 119.914 0.240 0.000 2.432 54 V HA 0.359 4.496 4.120 0.028 0.000 0.275 54 V C -2.101 174.073 176.094 0.133 0.000 1.043 54 V CA -1.863 60.550 62.300 0.188 0.000 0.925 54 V CB 1.623 33.596 31.823 0.248 0.000 0.985 54 V HN 0.666 nan 8.190 nan 0.000 0.466 55 P HA 0.372 nan 4.420 nan 0.000 0.287 55 P C -0.972 176.282 177.300 -0.077 0.000 1.294 55 P CA -0.199 62.913 63.100 0.020 0.000 0.776 55 P CB 1.219 32.929 31.700 0.017 0.000 0.889 56 V N 2.891 122.748 119.914 -0.094 0.000 2.686 56 V HA 0.542 4.679 4.120 0.028 0.000 0.306 56 V C 0.399 176.437 176.094 -0.093 0.000 1.065 56 V CA -1.362 60.823 62.300 -0.193 0.000 0.894 56 V CB 1.718 33.269 31.823 -0.452 0.000 1.004 56 V HN 0.666 nan 8.190 nan 0.000 0.424 57 A N 3.315 126.072 122.820 -0.104 0.000 2.584 57 A HA 0.164 4.501 4.320 0.028 0.000 0.239 57 A C 1.290 178.839 177.584 -0.059 0.000 1.043 57 A CA 0.223 52.209 52.037 -0.085 0.000 0.756 57 A CB -0.124 18.815 19.000 -0.102 0.000 0.963 57 A HN 1.143 nan 8.150 nan 0.000 0.511 58 L N 2.752 123.942 121.223 -0.055 0.000 2.034 58 L HA -0.235 4.122 4.340 0.028 0.000 0.217 58 L C 1.950 178.814 176.870 -0.010 0.000 1.077 58 L CA 2.286 57.114 54.840 -0.021 0.000 0.769 58 L CB -0.318 41.681 42.059 -0.101 0.000 0.890 58 L HN 0.765 nan 8.230 nan 0.000 0.435 59 L N -1.579 119.580 121.223 -0.106 0.000 2.591 59 L HA -0.014 4.342 4.340 0.028 0.000 0.228 59 L C 1.975 178.747 176.870 -0.163 0.000 1.133 59 L CA 0.310 55.054 54.840 -0.161 0.000 0.880 59 L CB -0.285 41.643 42.059 -0.218 0.000 1.033 59 L HN 0.186 nan 8.230 nan 0.000 0.450 60 K N -0.630 119.696 120.400 -0.123 0.000 2.353 60 K HA 0.058 4.395 4.320 0.028 0.000 0.195 60 K C 1.723 178.252 176.600 -0.119 0.000 1.031 60 K CA -0.015 56.190 56.287 -0.136 0.000 1.079 60 K CB 0.390 32.806 32.500 -0.139 0.000 0.857 60 K HN 0.297 nan 8.250 nan 0.000 0.535 61 Q N 0.847 120.636 119.800 -0.020 0.000 2.119 61 Q HA -0.213 4.143 4.340 0.028 0.000 0.201 61 Q C 2.122 178.228 176.000 0.177 0.000 0.972 61 Q CA 1.440 57.358 55.803 0.191 0.000 0.847 61 Q CB 0.096 29.178 28.738 0.573 0.000 0.903 61 Q HN 0.326 nan 8.270 nan 0.000 0.433 62 Q N 0.765 120.364 119.800 -0.335 0.000 2.084 62 Q HA -0.240 4.117 4.340 0.028 0.000 0.202 62 Q C 1.810 177.654 176.000 -0.260 0.000 0.978 62 Q CA 1.603 56.958 55.803 -0.746 0.000 0.844 62 Q CB 0.077 28.001 28.738 -1.357 0.000 0.898 62 Q HN 0.151 nan 8.270 nan 0.000 0.426 63 E N 0.610 120.693 120.200 -0.195 0.000 2.107 63 E HA -0.148 4.219 4.350 0.028 0.000 0.191 63 E C 1.724 178.311 176.600 -0.022 0.000 0.982 63 E CA 1.256 57.592 56.400 -0.108 0.000 0.809 63 E CB -0.039 29.590 29.700 -0.118 0.000 0.756 63 E HN 0.320 nan 8.360 nan 0.000 0.459 64 K N -0.251 120.148 120.400 -0.002 0.000 2.026 64 K HA -0.135 4.202 4.320 0.028 0.000 0.208 64 K C 2.101 178.863 176.600 0.271 0.000 1.048 64 K CA 1.290 57.599 56.287 0.038 0.000 0.929 64 K CB -0.251 32.125 32.500 -0.206 0.000 0.713 64 K HN 0.224 nan 8.250 nan 0.000 0.439 65 L N 1.169 122.673 121.223 0.469 0.000 2.131 65 L HA -0.136 4.221 4.340 0.028 0.000 0.210 65 L C 1.954 178.958 176.870 0.223 0.000 1.092 65 L CA 1.784 56.895 54.840 0.452 0.000 0.759 65 L CB -0.534 41.811 42.059 0.477 0.000 0.903 65 L HN 0.183 nan 8.230 nan 0.000 0.435 66 T N -0.551 114.082 114.554 0.133 0.000 2.759 66 T HA -0.159 4.208 4.350 0.028 0.000 0.269 66 T C 1.698 176.415 174.700 0.028 0.000 1.042 66 T CA 1.728 63.865 62.100 0.063 0.000 1.140 66 T CB -0.160 68.712 68.868 0.007 0.000 0.864 66 T HN 0.137 nan 8.240 nan 0.000 0.455 67 L N 0.678 121.926 121.223 0.041 0.000 2.121 67 L HA 0.135 4.491 4.340 0.028 0.000 0.200 67 L C 2.252 179.136 176.870 0.023 0.000 1.077 67 L CA 1.562 56.412 54.840 0.017 0.000 0.766 67 L CB -0.664 41.405 42.059 0.016 0.000 0.931 67 L HN 0.037 nan 8.230 nan 0.000 0.452 68 D N -0.400 120.063 120.400 0.105 0.000 2.097 68 D HA -0.113 4.544 4.640 0.028 0.000 0.197 68 D C 2.148 178.475 176.300 0.044 0.000 0.984 68 D CA 1.361 55.439 54.000 0.129 0.000 0.826 68 D CB -0.659 40.329 40.800 0.315 0.000 0.973 68 D HN 0.297 nan 8.370 nan 0.000 0.460 69 G N 1.684 110.509 108.800 0.042 0.000 2.631 69 G HA2 -0.248 3.729 3.960 0.028 0.000 0.219 69 G HA3 -0.248 3.729 3.960 0.028 0.000 0.219 69 G C -0.809 173.850 174.900 -0.402 0.000 1.214 69 G CA 1.079 46.149 45.100 -0.050 0.000 0.785 69 G HN 0.314 nan 8.290 nan 0.000 0.596 70 P HA 0.098 nan 4.420 nan 0.000 0.231 70 P C 1.108 178.225 177.300 -0.304 0.000 1.158 70 P CA 1.457 64.106 63.100 -0.752 0.000 0.763 70 P CB -0.024 31.325 31.700 -0.585 0.000 0.805 71 A N -0.882 121.832 122.820 -0.177 0.000 2.387 71 A HA 0.531 4.867 4.320 0.028 0.000 0.234 71 A C 1.623 179.181 177.584 -0.043 0.000 1.253 71 A CA 0.439 52.427 52.037 -0.081 0.000 0.894 71 A CB -0.942 18.033 19.000 -0.041 0.000 0.963 71 A HN 0.207 nan 8.150 nan 0.000 0.508 72 G N -0.233 108.538 108.800 -0.049 0.000 2.155 72 G HA2 -0.259 3.717 3.960 0.028 0.000 0.257 72 G HA3 -0.259 3.717 3.960 0.028 0.000 0.257 72 G C 0.788 175.702 174.900 0.022 0.000 0.983 72 G CA 0.723 45.818 45.100 -0.008 0.000 0.676 72 G HN 0.368 nan 8.290 nan 0.000 0.528 73 K N 0.377 120.800 120.400 0.038 0.000 2.374 73 K HA 0.255 4.592 4.320 0.028 0.000 0.202 73 K C 1.532 178.214 176.600 0.137 0.000 1.040 73 K CA 0.480 56.819 56.287 0.087 0.000 1.085 73 K CB 0.818 33.376 32.500 0.097 0.000 0.873 73 K HN 0.444 nan 8.250 nan 0.000 0.539 74 G N 0.878 109.717 108.800 0.066 0.000 2.599 74 G HA2 0.424 4.401 3.960 0.028 0.000 0.264 74 G HA3 0.424 4.401 3.960 0.028 0.000 0.264 74 G C -0.282 174.438 174.900 -0.299 0.000 1.200 74 G CA -0.339 44.727 45.100 -0.057 0.000 0.896 74 G HN 0.181 nan 8.290 nan 0.000 0.536 75 A N -0.474 121.775 122.820 -0.951 0.000 2.287 75 A HA 0.445 4.782 4.320 0.028 0.000 0.273 75 A C 1.010 178.332 177.584 -0.437 0.000 1.091 75 A CA -0.268 51.255 52.037 -0.856 0.000 0.817 75 A CB 0.526 18.542 19.000 -1.640 0.000 1.069 75 A HN 0.607 nan 8.150 nan 0.000 0.492 76 D N -0.619 119.624 120.400 -0.261 0.000 2.162 76 D HA 0.055 4.712 4.640 0.028 0.000 0.205 76 D C -0.238 175.975 176.300 -0.145 0.000 0.964 76 D CA 1.233 55.152 54.000 -0.135 0.000 0.847 76 D CB 0.020 40.787 40.800 -0.054 0.000 0.988 76 D HN 0.210 nan 8.370 nan 0.000 0.480 77 L N 1.104 122.216 121.223 -0.185 0.000 2.322 77 L HA 0.312 4.669 4.340 0.028 0.000 0.281 77 L C -0.067 176.824 176.870 0.035 0.000 1.014 77 L CA -0.967 53.805 54.840 -0.113 0.000 0.815 77 L CB 1.835 43.711 42.059 -0.306 0.000 1.247 77 L HN -0.177 nan 8.230 nan 0.000 0.421 78 V N -0.203 119.810 119.914 0.164 0.000 3.141 78 V HA 0.952 5.088 4.120 0.028 0.000 0.312 78 V C -0.614 175.551 176.094 0.118 0.000 1.157 78 V CA -0.517 61.925 62.300 0.235 0.000 1.041 78 V CB 2.092 34.021 31.823 0.177 0.000 1.071 78 V HN 0.748 nan 8.190 nan 0.000 0.441 79 T N 1.992 116.550 114.554 0.006 0.000 2.956 79 T HA 0.807 5.174 4.350 0.028 0.000 0.312 79 T C -1.835 172.870 174.700 0.008 0.000 1.151 79 T CA -0.036 61.901 62.100 -0.271 0.000 1.024 79 T CB 1.326 69.828 68.868 -0.609 0.000 1.140 79 T HN 1.754 nan 8.240 nan 0.000 0.473 80 W N 2.185 123.578 121.300 0.155 0.000 2.982 80 W HA 0.641 5.318 4.660 0.028 0.000 0.344 80 W C -3.379 173.174 176.519 0.057 0.000 1.215 80 W CA -2.018 55.347 57.345 0.033 0.000 1.182 80 W CB -0.718 28.743 29.460 0.002 0.000 1.437 80 W HN 0.527 nan 8.180 nan 0.000 0.570 81 P HA 0.044 nan 4.420 nan 0.000 0.266 81 P C 0.723 178.132 177.300 0.181 0.000 1.195 81 P CA 0.603 63.757 63.100 0.089 0.000 0.768 81 P CB 0.339 31.964 31.700 -0.125 0.000 0.838 82 H N 0.792 119.954 119.070 0.155 0.000 2.518 82 H HA -0.206 4.367 4.556 0.028 0.000 0.292 82 H C 1.415 176.811 175.328 0.113 0.000 1.068 82 H CA 1.548 57.695 56.048 0.165 0.000 1.275 82 H CB -0.661 29.174 29.762 0.122 0.000 1.375 82 H HN 0.340 nan 8.280 nan 0.000 0.563 83 D N 1.465 121.582 120.400 -0.472 0.000 2.192 83 D HA -0.274 4.383 4.640 0.028 0.000 0.189 83 D C 1.660 177.930 176.300 -0.051 0.000 1.007 83 D CA 1.967 55.807 54.000 -0.266 0.000 0.859 83 D CB -0.153 40.551 40.800 -0.159 0.000 0.936 83 D HN 0.528 nan 8.370 nan 0.000 0.447 84 R N -1.119 119.377 120.500 -0.005 0.000 2.427 84 R HA 0.270 4.626 4.340 0.028 0.000 0.262 84 R C -0.267 175.990 176.300 -0.070 0.000 0.943 84 R CA -0.532 55.532 56.100 -0.060 0.000 1.081 84 R CB 0.238 30.416 30.300 -0.203 0.000 1.166 84 R HN 0.188 nan 8.270 nan 0.000 0.534 85 L N -0.398 120.790 121.223 -0.058 0.000 2.349 85 L HA 0.367 4.724 4.340 0.028 0.000 0.275 85 L C 0.976 177.585 176.870 -0.434 0.000 1.115 85 L CA 1.184 55.889 54.840 -0.225 0.000 0.820 85 L CB 1.218 43.181 42.059 -0.162 0.000 1.135 85 L HN 0.337 nan 8.230 nan 0.000 0.445 86 G N 2.767 111.125 108.800 -0.738 0.000 2.792 86 G HA2 -0.273 3.704 3.960 0.028 0.000 0.201 86 G HA3 -0.273 3.704 3.960 0.028 0.000 0.201 86 G C 0.937 175.447 174.900 -0.650 0.000 1.322 86 G CA 0.329 44.682 45.100 -1.245 0.000 0.910 86 G HN 0.702 nan 8.290 nan 0.000 0.535 87 E N 1.331 121.306 120.200 -0.376 0.000 2.058 87 E HA 0.005 4.372 4.350 0.028 0.000 0.194 87 E C 2.732 179.203 176.600 -0.215 0.000 0.997 87 E CA 2.083 58.343 56.400 -0.233 0.000 0.801 87 E CB -0.305 29.290 29.700 -0.176 0.000 0.746 87 E HN 0.830 nan 8.360 nan 0.000 0.450 88 A N 0.497 123.177 122.820 -0.233 0.000 1.933 88 A HA -0.115 4.222 4.320 0.028 0.000 0.218 88 A C 2.389 179.859 177.584 -0.189 0.000 1.175 88 A CA 1.425 53.368 52.037 -0.156 0.000 0.628 88 A CB -0.541 18.434 19.000 -0.042 0.000 0.814 88 A HN 0.231 nan 8.150 nan 0.000 0.444 89 V N -0.453 119.249 119.914 -0.354 0.000 2.307 89 V HA -0.203 3.933 4.120 0.028 0.000 0.245 89 V C 2.703 178.722 176.094 -0.125 0.000 1.045 89 V CA 2.419 64.531 62.300 -0.314 0.000 1.024 89 V CB -1.326 30.202 31.823 -0.493 0.000 0.651 89 V HN 0.572 nan 8.190 nan 0.000 0.449 90 T N -0.359 114.108 114.554 -0.145 0.000 2.788 90 T HA -0.176 4.190 4.350 0.028 0.000 0.268 90 T C 1.591 176.274 174.700 -0.029 0.000 1.044 90 T CA 1.233 63.306 62.100 -0.047 0.000 1.139 90 T CB -0.209 68.627 68.868 -0.054 0.000 0.867 90 T HN 0.443 nan 8.240 nan 0.000 0.454 91 K N 0.484 120.855 120.400 -0.048 0.000 2.476 91 K HA 0.270 4.606 4.320 0.028 0.000 0.196 91 K C 1.235 177.856 176.600 0.034 0.000 1.025 91 K CA 0.204 56.485 56.287 -0.009 0.000 1.138 91 K CB 0.293 32.778 32.500 -0.025 0.000 0.860 91 K HN 0.383 nan 8.250 nan 0.000 0.515 92 G N 1.701 110.511 108.800 0.017 0.000 2.198 92 G HA2 -0.273 3.703 3.960 0.028 0.000 0.260 92 G HA3 -0.273 3.703 3.960 0.028 0.000 0.260 92 G C 0.595 175.498 174.900 0.006 0.000 1.025 92 G CA 0.138 45.249 45.100 0.018 0.000 0.769 92 G HN 0.309 nan 8.290 nan 0.000 0.507 93 L N -1.441 119.806 121.223 0.040 0.000 2.209 93 L HA 0.370 4.726 4.340 0.028 0.000 0.207 93 L C 1.376 178.271 176.870 0.041 0.000 1.094 93 L CA 0.829 55.736 54.840 0.112 0.000 0.790 93 L CB -0.017 42.135 42.059 0.154 0.000 0.932 93 L HN 0.289 nan 8.230 nan 0.000 0.447 94 L N -0.656 120.574 121.223 0.011 0.000 2.370 94 L HA 0.401 4.757 4.340 0.028 0.000 0.266 94 L C -0.778 176.205 176.870 0.189 0.000 1.002 94 L CA -0.719 54.167 54.840 0.077 0.000 0.818 94 L CB 1.952 44.050 42.059 0.066 0.000 1.325 94 L HN 0.026 nan 8.230 nan 0.000 0.418 95 Q N 1.183 121.091 119.800 0.180 0.000 2.301 95 Q HA 0.640 4.997 4.340 0.028 0.000 0.267 95 Q C -2.743 173.256 176.000 -0.002 0.000 1.035 95 Q CA -2.179 53.705 55.803 0.135 0.000 0.856 95 Q CB 1.868 30.600 28.738 -0.010 0.000 1.337 95 Q HN 0.217 nan 8.270 nan 0.000 0.450 96 P HA 0.066 nan 4.420 nan 0.000 0.271 96 P C -0.607 176.539 177.300 -0.258 0.000 1.233 96 P CA -0.110 62.607 63.100 -0.638 0.000 0.789 96 P CB 0.380 31.733 31.700 -0.578 0.000 0.951 97 I N -2.236 118.207 120.570 -0.212 0.000 2.562 97 I HA 0.567 4.754 4.170 0.028 0.000 0.301 97 I C -0.564 175.497 176.117 -0.093 0.000 1.003 97 I CA -1.122 60.113 61.300 -0.107 0.000 1.127 97 I CB 1.808 39.770 38.000 -0.063 0.000 1.304 97 I HN 0.010 nan 8.210 nan 0.000 0.446 98 Q N 4.683 124.445 119.800 -0.064 0.000 2.368 98 Q HA 0.653 5.010 4.340 0.028 0.000 0.263 98 Q C -0.816 175.168 176.000 -0.027 0.000 1.009 98 Q CA -0.568 55.206 55.803 -0.047 0.000 0.818 98 Q CB 1.979 30.689 28.738 -0.047 0.000 1.239 98 Q HN 0.702 nan 8.270 nan 0.000 0.464 99 V N -1.569 118.338 119.914 -0.012 0.000 2.823 99 V HA 0.599 4.735 4.120 0.028 0.000 0.312 99 V C -0.260 175.842 176.094 0.013 0.000 1.072 99 V CA -1.217 61.089 62.300 0.009 0.000 0.937 99 V CB 2.116 33.960 31.823 0.036 0.000 1.013 99 V HN 0.496 nan 8.190 nan 0.000 0.430 100 D N 2.398 122.807 120.400 0.016 0.000 2.515 100 D HA -0.064 4.592 4.640 0.028 0.000 0.232 100 D C 1.121 177.431 176.300 0.016 0.000 1.157 100 D CA 1.084 55.090 54.000 0.011 0.000 0.871 100 D CB 0.530 41.335 40.800 0.010 0.000 1.200 100 D HN 0.928 nan 8.370 nan 0.000 0.466 101 N N 0.735 119.439 118.700 0.008 0.000 2.149 101 N HA -0.228 4.529 4.740 0.028 0.000 0.188 101 N C 1.553 177.066 175.510 0.005 0.000 1.019 101 N CA 2.102 55.157 53.050 0.008 0.000 0.857 101 N CB 0.136 38.624 38.487 0.001 0.000 0.997 101 N HN 0.330 nan 8.380 nan 0.000 0.426 102 S N -0.930 114.768 115.700 -0.004 0.000 2.368 102 S HA -0.072 4.414 4.470 0.028 0.000 0.224 102 S C 2.086 176.667 174.600 -0.031 0.000 1.029 102 S CA 1.175 59.363 58.200 -0.020 0.000 0.988 102 S CB -0.799 62.388 63.200 -0.023 0.000 0.838 102 S HN 0.119 nan 8.310 nan 0.000 0.462 103 V N 3.863 123.775 119.914 -0.004 0.000 2.237 103 V HA -0.191 3.945 4.120 0.028 0.000 0.245 103 V C 2.876 179.015 176.094 0.075 0.000 1.046 103 V CA 2.136 64.446 62.300 0.016 0.000 1.007 103 V CB -0.857 31.013 31.823 0.077 0.000 0.638 103 V HN 0.593 nan 8.190 nan 0.000 0.445 104 K N 0.617 121.088 120.400 0.118 0.000 2.173 104 K HA -0.294 4.043 4.320 0.028 0.000 0.207 104 K C 1.693 178.376 176.600 0.139 0.000 1.046 104 K CA 2.351 58.738 56.287 0.167 0.000 0.929 104 K CB -0.613 31.939 32.500 0.086 0.000 0.720 104 K HN 0.434 nan 8.250 nan 0.000 0.453 105 N N 1.204 119.923 118.700 0.032 0.000 2.396 105 N HA -0.061 4.696 4.740 0.028 0.000 0.180 105 N C 1.504 176.961 175.510 -0.089 0.000 1.028 105 N CA 0.705 53.747 53.050 -0.013 0.000 0.893 105 N CB 0.001 38.470 38.487 -0.030 0.000 0.967 105 N HN 0.425 nan 8.380 nan 0.000 0.440 106 Q N -0.970 118.689 119.800 -0.235 0.000 2.488 106 Q HA 0.030 4.386 4.340 0.028 0.000 0.211 106 Q C -0.413 175.257 176.000 -0.550 0.000 0.967 106 Q CA 0.571 56.096 55.803 -0.463 0.000 0.926 106 Q CB 0.135 28.454 28.738 -0.698 0.000 0.992 106 Q HN 0.222 nan 8.270 nan 0.000 0.506 107 F N 0.097 120.027 119.950 -0.034 0.000 2.523 107 F HA 0.209 4.752 4.527 0.028 0.000 0.329 107 F C 0.401 176.183 175.800 -0.031 0.000 1.061 107 F CA -1.854 56.124 58.000 -0.036 0.000 0.967 107 F CB 0.764 39.742 39.000 -0.036 0.000 1.218 107 F HN -0.231 nan 8.300 nan 0.000 0.480 108 D N 1.362 121.872 120.400 0.183 0.000 2.493 108 D HA -0.021 4.636 4.640 0.028 0.000 0.240 108 D C 0.734 177.078 176.300 0.073 0.000 1.142 108 D CA 0.356 54.408 54.000 0.087 0.000 0.872 108 D CB 0.705 41.542 40.800 0.061 0.000 1.173 108 D HN 0.413 nan 8.370 nan 0.000 0.467 109 D N 2.738 123.167 120.400 0.047 0.000 2.117 109 D HA -0.132 4.524 4.640 0.028 0.000 0.197 109 D C 2.070 178.384 176.300 0.023 0.000 0.987 109 D CA 0.751 54.773 54.000 0.037 0.000 0.829 109 D CB -0.041 40.775 40.800 0.028 0.000 0.961 109 D HN 0.235 nan 8.370 nan 0.000 0.460 110 V N 1.495 121.419 119.914 0.017 0.000 2.287 110 V HA -0.264 3.873 4.120 0.028 0.000 0.248 110 V C 2.544 178.620 176.094 -0.031 0.000 1.053 110 V CA 1.913 64.213 62.300 0.001 0.000 1.027 110 V CB -0.848 30.981 31.823 0.010 0.000 0.646 110 V HN 0.199 nan 8.190 nan 0.000 0.447 111 A N -0.539 122.267 122.820 -0.023 0.000 1.877 111 A HA -0.218 4.118 4.320 0.028 0.000 0.216 111 A C 2.216 179.760 177.584 -0.067 0.000 1.186 111 A CA 2.085 54.087 52.037 -0.058 0.000 0.620 111 A CB -0.469 18.511 19.000 -0.033 0.000 0.822 111 A HN 0.415 nan 8.150 nan 0.000 0.443 112 M N -0.585 119.001 119.600 -0.024 0.000 2.229 112 M HA -0.087 4.409 4.480 0.028 0.000 0.264 112 M C 2.062 178.364 176.300 0.004 0.000 1.063 112 M CA 1.703 56.994 55.300 -0.015 0.000 1.114 112 M CB -1.053 31.564 32.600 0.029 0.000 1.387 112 M HN 0.539 nan 8.290 nan 0.000 0.420 113 K N 0.327 120.729 120.400 0.003 0.000 2.057 113 K HA -0.034 4.302 4.320 0.028 0.000 0.206 113 K C 1.953 178.561 176.600 0.013 0.000 1.050 113 K CA 1.265 57.563 56.287 0.018 0.000 0.935 113 K CB 0.015 32.525 32.500 0.017 0.000 0.715 113 K HN 0.220 nan 8.250 nan 0.000 0.439 114 A N 0.572 123.352 122.820 -0.068 0.000 2.019 114 A HA -0.100 4.237 4.320 0.028 0.000 0.219 114 A C 1.534 179.128 177.584 0.017 0.000 1.164 114 A CA 1.085 53.023 52.037 -0.166 0.000 0.644 114 A CB -0.199 18.439 19.000 -0.603 0.000 0.805 114 A HN 0.249 nan 8.150 nan 0.000 0.449 115 L N 0.181 121.435 121.223 0.051 0.000 2.629 115 L HA 0.185 4.542 4.340 0.028 0.000 0.230 115 L C 0.120 177.128 176.870 0.230 0.000 1.151 115 L CA 0.766 55.703 54.840 0.162 0.000 0.924 115 L CB -0.700 41.401 42.059 0.071 0.000 1.137 115 L HN 0.096 nan 8.230 nan 0.000 0.457 116 T N -0.725 113.951 114.554 0.203 0.000 2.807 116 T HA 0.405 4.772 4.350 0.028 0.000 0.279 116 T C -1.345 173.539 174.700 0.308 0.000 0.993 116 T CA -0.310 61.933 62.100 0.239 0.000 0.970 116 T CB 1.639 70.583 68.868 0.127 0.000 0.950 116 T HN -0.038 nan 8.240 nan 0.000 0.441 117 Y N 1.204 121.647 120.300 0.238 0.000 2.373 117 Y HA 0.485 5.051 4.550 0.028 0.000 0.336 117 Y C 0.634 176.635 175.900 0.169 0.000 0.979 117 Y CA -0.464 57.727 58.100 0.151 0.000 1.080 117 Y CB 1.270 39.748 38.460 0.030 0.000 1.190 117 Y HN 0.919 nan 8.280 nan 0.000 0.446 118 G N 3.648 112.154 108.800 -0.489 0.000 2.366 118 G HA2 0.035 4.012 3.960 0.028 0.000 0.299 118 G HA3 0.035 4.012 3.960 0.028 0.000 0.299 118 G C 1.044 175.883 174.900 -0.102 0.000 1.020 118 G CA 0.908 45.792 45.100 -0.359 0.000 1.026 118 G HN 2.159 nan 8.290 nan 0.000 0.512 119 G N -1.568 107.204 108.800 -0.047 0.000 2.184 119 G HA2 -0.256 3.721 3.960 0.028 0.000 0.264 119 G HA3 -0.256 3.721 3.960 0.028 0.000 0.264 119 G C 0.287 175.192 174.900 0.009 0.000 0.975 119 G CA 1.240 46.333 45.100 -0.012 0.000 0.642 119 G HN 1.293 nan 8.290 nan 0.000 0.536 120 K N -0.412 120.019 120.400 0.051 0.000 2.324 120 K HA 0.715 5.052 4.320 0.028 0.000 0.253 120 K C -0.659 175.942 176.600 0.003 0.000 0.932 120 K CA -1.121 55.157 56.287 -0.015 0.000 0.799 120 K CB 2.619 35.070 32.500 -0.080 0.000 1.154 120 K HN 0.120 nan 8.250 nan 0.000 0.425 121 L N 2.839 124.002 121.223 -0.100 0.000 2.290 121 L HA 0.231 4.588 4.340 0.028 0.000 0.284 121 L C -0.630 176.149 176.870 -0.152 0.000 1.078 121 L CA 0.355 55.175 54.840 -0.033 0.000 0.815 121 L CB 0.204 42.244 42.059 -0.031 0.000 1.162 121 L HN 0.660 nan 8.230 nan 0.000 0.435 122 Y N 3.807 124.163 120.300 0.093 0.000 2.444 122 Y HA 0.572 5.139 4.550 0.028 0.000 0.249 122 Y C 1.162 177.160 175.900 0.164 0.000 1.134 122 Y CA 0.245 58.426 58.100 0.135 0.000 1.261 122 Y CB 0.851 39.407 38.460 0.159 0.000 1.143 122 Y HN 0.704 nan 8.280 nan 0.000 0.523 123 G N -0.568 108.323 108.800 0.151 0.000 2.495 123 G HA2 0.505 4.482 3.960 0.028 0.000 0.294 123 G HA3 0.505 4.482 3.960 0.028 0.000 0.294 123 G C -2.130 172.656 174.900 -0.190 0.000 1.397 123 G CA -0.937 44.127 45.100 -0.059 0.000 0.790 123 G HN -0.089 nan 8.290 nan 0.000 0.486 124 L N 1.604 122.657 121.223 -0.284 0.000 2.322 124 L HA 0.487 4.844 4.340 0.028 0.000 0.281 124 L C -2.134 174.420 176.870 -0.526 0.000 1.014 124 L CA -2.035 52.507 54.840 -0.497 0.000 0.815 124 L CB 2.531 44.345 42.059 -0.408 0.000 1.247 124 L HN 0.287 nan 8.230 nan 0.000 0.421 125 P HA 0.181 nan 4.420 nan 0.000 0.275 125 P C -0.587 176.541 177.300 -0.288 0.000 1.227 125 P CA -0.345 62.506 63.100 -0.415 0.000 0.781 125 P CB 1.414 32.929 31.700 -0.308 0.000 0.906 126 K N 0.857 121.104 120.400 -0.254 0.000 2.399 126 K HA 0.436 4.772 4.320 0.028 0.000 0.196 126 K C 0.319 176.860 176.600 -0.098 0.000 1.117 126 K CA 0.196 56.373 56.287 -0.183 0.000 0.965 126 K CB 0.799 33.099 32.500 -0.333 0.000 0.983 126 K HN 0.546 nan 8.250 nan 0.000 0.531 127 A N 1.447 124.209 122.820 -0.097 0.000 2.513 127 A HA 0.506 4.843 4.320 0.028 0.000 0.296 127 A C -1.810 175.767 177.584 -0.012 0.000 1.052 127 A CA -0.708 51.308 52.037 -0.035 0.000 0.714 127 A CB 1.057 20.034 19.000 -0.038 0.000 1.279 127 A HN 0.154 nan 8.150 nan 0.000 0.397 128 I N 1.883 122.464 120.570 0.019 0.000 2.412 128 I HA 0.724 4.911 4.170 0.028 0.000 0.296 128 I C -0.155 175.998 176.117 0.061 0.000 0.987 128 I CA 0.092 61.416 61.300 0.040 0.000 1.180 128 I CB 1.301 39.322 38.000 0.034 0.000 1.340 128 I HN 0.793 nan 8.210 nan 0.000 0.455 129 E N 5.221 125.483 120.200 0.104 0.000 2.366 129 E HA 0.648 5.015 4.350 0.028 0.000 0.278 129 E C -1.830 174.874 176.600 0.173 0.000 0.923 129 E CA -0.883 55.591 56.400 0.123 0.000 0.761 129 E CB 1.822 31.652 29.700 0.216 0.000 1.231 129 E HN 0.492 nan 8.360 nan 0.000 0.443 130 S N 1.540 117.311 115.700 0.120 0.000 2.550 130 S HA 0.461 4.947 4.470 0.028 0.000 0.270 130 S C -0.601 174.039 174.600 0.067 0.000 1.145 130 S CA -0.329 57.950 58.200 0.132 0.000 0.852 130 S CB 1.422 64.690 63.200 0.114 0.000 1.119 130 S HN 0.950 nan 8.310 nan 0.000 0.465 131 V N 1.834 121.767 119.914 0.031 0.000 2.924 131 V HA 0.883 5.019 4.120 0.028 0.000 0.305 131 V C 0.512 176.626 176.094 0.033 0.000 1.073 131 V CA 0.357 62.649 62.300 -0.014 0.000 1.098 131 V CB 0.106 31.896 31.823 -0.056 0.000 1.000 131 V HN 1.365 nan 8.190 nan 0.000 0.484 132 A N 3.562 126.425 122.820 0.072 0.000 2.567 132 A HA 0.796 5.133 4.320 0.028 0.000 0.289 132 A C -0.900 176.612 177.584 -0.120 0.000 1.177 132 A CA -0.927 51.068 52.037 -0.070 0.000 0.694 132 A CB 1.369 20.251 19.000 -0.198 0.000 1.292 132 A HN 1.317 nan 8.150 nan 0.000 0.425 133 L N 1.247 122.373 121.223 -0.162 0.000 2.312 133 L HA 0.508 4.865 4.340 0.028 0.000 0.287 133 L C -1.031 175.821 176.870 -0.030 0.000 1.091 133 L CA 0.252 55.033 54.840 -0.097 0.000 0.846 133 L CB -0.478 41.528 42.059 -0.088 0.000 1.219 133 L HN 0.414 nan 8.230 nan 0.000 0.439 134 I N 6.292 126.839 120.570 -0.038 0.000 2.321 134 I HA 0.311 4.498 4.170 0.028 0.000 0.291 134 I C -0.755 175.383 176.117 0.035 0.000 0.998 134 I CA -0.677 60.593 61.300 -0.049 0.000 1.227 134 I CB 0.677 38.645 38.000 -0.054 0.000 1.368 134 I HN 0.526 nan 8.210 nan 0.000 0.466 135 Y N 3.881 124.229 120.300 0.081 0.000 2.499 135 Y HA 0.497 5.064 4.550 0.028 0.000 0.347 135 Y C -0.337 175.761 175.900 0.329 0.000 0.987 135 Y CA -1.408 56.825 58.100 0.222 0.000 1.044 135 Y CB 0.819 39.324 38.460 0.076 0.000 1.245 135 Y HN 0.435 nan 8.280 nan 0.000 0.461 136 N N 3.294 122.235 118.700 0.402 0.000 2.399 136 N HA 0.035 4.792 4.740 0.028 0.000 0.259 136 N C 0.363 175.949 175.510 0.127 0.000 1.160 136 N CA 0.252 53.326 53.050 0.041 0.000 0.946 136 N CB 0.823 39.171 38.487 -0.232 0.000 1.156 136 N HN 0.893 nan 8.380 nan 0.000 0.489 137 K N 2.272 122.711 120.400 0.065 0.000 2.281 137 K HA -0.152 4.185 4.320 0.028 0.000 0.203 137 K C 1.317 177.979 176.600 0.103 0.000 1.046 137 K CA 1.200 57.570 56.287 0.139 0.000 0.938 137 K CB 0.198 32.732 32.500 0.055 0.000 0.737 137 K HN 0.616 nan 8.250 nan 0.000 0.458 138 K N 0.067 120.495 120.400 0.045 0.000 2.426 138 K HA 0.015 4.352 4.320 0.028 0.000 0.193 138 K C 1.326 177.952 176.600 0.043 0.000 1.028 138 K CA 0.601 56.907 56.287 0.032 0.000 1.047 138 K CB 0.286 32.787 32.500 0.002 0.000 0.821 138 K HN 0.117 nan 8.250 nan 0.000 0.513 139 L N -0.204 121.060 121.223 0.068 0.000 2.575 139 L HA 0.352 4.709 4.340 0.028 0.000 0.228 139 L C 0.776 177.723 176.870 0.128 0.000 1.075 139 L CA -0.138 54.757 54.840 0.092 0.000 0.867 139 L CB 0.373 42.488 42.059 0.092 0.000 1.097 139 L HN 0.142 nan 8.230 nan 0.000 0.485 140 M N -0.222 119.461 119.600 0.139 0.000 2.106 140 M HA 0.413 4.909 4.480 0.028 0.000 0.288 140 M C 0.678 176.998 176.300 0.034 0.000 0.941 140 M CA -0.364 54.972 55.300 0.060 0.000 0.934 140 M CB 1.854 34.448 32.600 -0.009 0.000 1.551 140 M HN 0.015 nan 8.290 nan 0.000 0.437 141 G N 3.129 111.918 108.800 -0.019 0.000 2.679 141 G HA2 0.028 4.005 3.960 0.028 0.000 0.214 141 G HA3 0.028 4.005 3.960 0.028 0.000 0.214 141 G C 0.097 174.947 174.900 -0.084 0.000 1.315 141 G CA 0.457 45.549 45.100 -0.014 0.000 0.836 141 G HN 0.592 nan 8.290 nan 0.000 0.580 142 Q N 0.034 119.749 119.800 -0.142 0.000 2.266 142 Q HA 0.452 4.808 4.340 0.028 0.000 0.261 142 Q C 0.137 175.933 176.000 -0.340 0.000 0.985 142 Q CA -0.753 54.926 55.803 -0.206 0.000 0.873 142 Q CB 2.021 30.686 28.738 -0.122 0.000 1.306 142 Q HN 0.350 nan 8.270 nan 0.000 0.447 143 V N -0.238 119.421 119.914 -0.425 0.000 2.715 143 V HA 0.323 4.460 4.120 0.028 0.000 0.299 143 V C -2.125 173.799 176.094 -0.283 0.000 1.054 143 V CA -1.452 60.580 62.300 -0.447 0.000 1.077 143 V CB -0.223 31.345 31.823 -0.425 0.000 0.972 143 V HN 0.578 nan 8.190 nan 0.000 0.484 144 P HA 0.192 nan 4.420 nan 0.000 0.264 144 P C 0.621 177.856 177.300 -0.110 0.000 1.193 144 P CA 0.497 63.489 63.100 -0.180 0.000 0.763 144 P CB 0.991 32.585 31.700 -0.177 0.000 0.810 145 A N 3.211 125.990 122.820 -0.069 0.000 1.969 145 A HA 0.008 4.345 4.320 0.028 0.000 0.218 145 A C 1.143 178.723 177.584 -0.007 0.000 1.169 145 A CA 1.812 53.824 52.037 -0.041 0.000 0.635 145 A CB -0.835 18.148 19.000 -0.028 0.000 0.810 145 A HN 0.663 nan 8.150 nan 0.000 0.445 146 T N -6.450 108.114 114.554 0.016 0.000 2.926 146 T HA 0.456 4.823 4.350 0.028 0.000 0.289 146 T C 0.539 175.311 174.700 0.121 0.000 1.054 146 T CA -0.065 62.078 62.100 0.072 0.000 1.015 146 T CB 0.873 69.787 68.868 0.077 0.000 1.167 146 T HN 0.252 nan 8.240 nan 0.000 0.526 147 Y N 0.822 121.170 120.300 0.080 0.000 2.200 147 Y HA -0.052 4.511 4.550 0.023 0.000 0.290 147 Y C 1.892 177.901 175.900 0.181 0.000 1.137 147 Y CA 1.937 60.132 58.100 0.158 0.000 1.163 147 Y CB -0.432 38.145 38.460 0.195 0.000 0.988 147 Y HN 0.697 nan 8.280 nan 0.000 0.518 148 D N 0.406 120.907 120.400 0.169 0.000 2.133 148 D HA -0.197 4.460 4.640 0.028 0.000 0.195 148 D C 1.895 178.221 176.300 0.043 0.000 0.997 148 D CA 1.996 56.039 54.000 0.072 0.000 0.840 148 D CB -0.192 40.660 40.800 0.087 0.000 0.947 148 D HN 0.603 nan 8.370 nan 0.000 0.452 149 E N -0.313 119.913 120.200 0.043 0.000 2.112 149 E HA -0.066 4.301 4.350 0.028 0.000 0.190 149 E C 2.080 178.706 176.600 0.044 0.000 0.979 149 E CA 0.004 56.429 56.400 0.042 0.000 0.814 149 E CB -0.036 29.678 29.700 0.025 0.000 0.762 149 E HN 0.111 nan 8.360 nan 0.000 0.460 150 L N 0.590 121.816 121.223 0.006 0.000 2.042 150 L HA -0.179 4.177 4.340 0.028 0.000 0.210 150 L C 2.046 178.936 176.870 0.034 0.000 1.076 150 L CA 1.603 56.452 54.840 0.016 0.000 0.749 150 L CB -0.413 41.658 42.059 0.020 0.000 0.893 150 L HN 0.063 nan 8.230 nan 0.000 0.432 151 F N -0.292 119.497 119.950 -0.268 0.000 2.113 151 F HA -0.204 4.336 4.527 0.022 0.000 0.297 151 F C 2.480 178.132 175.800 -0.246 0.000 1.103 151 F CA 1.595 59.343 58.000 -0.420 0.000 1.248 151 F CB -0.224 38.405 39.000 -0.618 0.000 0.999 151 F HN 0.136 nan 8.300 nan 0.000 0.475 152 Q N -0.582 119.252 119.800 0.056 0.000 2.181 152 Q HA -0.272 4.085 4.340 0.028 0.000 0.205 152 Q C 2.022 177.999 176.000 -0.039 0.000 0.980 152 Q CA 1.780 57.594 55.803 0.018 0.000 0.862 152 Q CB -1.181 27.596 28.738 0.065 0.000 0.905 152 Q HN 0.650 nan 8.270 nan 0.000 0.429 153 Y N 0.927 121.161 120.300 -0.111 0.000 2.224 153 Y HA -0.203 4.363 4.550 0.027 0.000 0.289 153 Y C 2.207 178.038 175.900 -0.114 0.000 1.146 153 Y CA 1.573 59.622 58.100 -0.086 0.000 1.182 153 Y CB -0.169 38.263 38.460 -0.047 0.000 0.983 153 Y HN 0.114 nan 8.280 nan 0.000 0.524 154 A N 0.073 122.839 122.820 -0.090 0.000 1.897 154 A HA -0.162 4.174 4.320 0.028 0.000 0.215 154 A C 2.246 179.641 177.584 -0.316 0.000 1.181 154 A CA 1.652 53.583 52.037 -0.176 0.000 0.620 154 A CB -0.691 18.165 19.000 -0.240 0.000 0.821 154 A HN 0.464 nan 8.150 nan 0.000 0.443 155 K N -0.405 119.714 120.400 -0.467 0.000 2.074 155 K HA -0.177 4.160 4.320 0.028 0.000 0.209 155 K C 2.073 178.545 176.600 -0.213 0.000 1.048 155 K CA 1.434 57.519 56.287 -0.337 0.000 0.926 155 K CB -0.263 32.075 32.500 -0.270 0.000 0.713 155 K HN 0.427 nan 8.250 nan 0.000 0.444 156 A N 0.664 123.353 122.820 -0.218 0.000 1.935 156 A HA -0.038 4.298 4.320 0.028 0.000 0.214 156 A C 1.595 179.040 177.584 -0.233 0.000 1.178 156 A CA 1.132 53.049 52.037 -0.199 0.000 0.640 156 A CB -0.118 18.769 19.000 -0.188 0.000 0.825 156 A HN 0.304 nan 8.150 nan 0.000 0.447 157 N N 0.121 118.634 118.700 -0.312 0.000 2.322 157 N HA 0.007 4.763 4.740 0.028 0.000 0.181 157 N C -0.551 174.842 175.510 -0.194 0.000 1.088 157 N CA 0.004 52.878 53.050 -0.292 0.000 0.885 157 N CB -0.085 38.120 38.487 -0.471 0.000 1.013 157 N HN 0.279 nan 8.380 nan 0.000 0.472 158 N N 1.825 120.436 118.700 -0.149 0.000 2.452 158 N HA 0.003 4.759 4.740 0.028 0.000 0.266 158 N C -0.154 175.215 175.510 -0.236 0.000 1.209 158 N CA 0.613 53.579 53.050 -0.140 0.000 0.929 158 N CB 0.756 39.269 38.487 0.042 0.000 1.063 158 N HN 0.096 nan 8.380 nan 0.000 0.472 159 K N 4.576 124.730 120.400 -0.410 0.000 2.701 159 K HA 0.249 4.586 4.320 0.028 0.000 0.212 159 K C -1.964 174.381 176.600 -0.426 0.000 1.035 159 K CA -1.590 54.508 56.287 -0.315 0.000 1.048 159 K CB 1.396 33.771 32.500 -0.208 0.000 1.234 159 K HN 0.157 nan 8.250 nan 0.000 0.540 160 P HA -0.221 nan 4.420 nan 0.000 0.217 160 P C 0.204 177.460 177.300 -0.073 0.000 1.151 160 P CA 1.321 64.330 63.100 -0.151 0.000 0.849 160 P CB 0.347 32.079 31.700 0.054 0.000 0.787 161 D N -0.175 120.183 120.400 -0.071 0.000 2.144 161 D HA -0.130 4.527 4.640 0.028 0.000 0.199 161 D C 1.757 178.031 176.300 -0.045 0.000 0.984 161 D CA 1.047 55.024 54.000 -0.038 0.000 0.834 161 D CB -0.430 40.350 40.800 -0.034 0.000 0.955 161 D HN 0.280 nan 8.370 nan 0.000 0.465 162 E N 0.144 120.295 120.200 -0.082 0.000 2.479 162 E HA 0.020 4.387 4.350 0.028 0.000 0.193 162 E C -0.062 176.497 176.600 -0.068 0.000 1.049 162 E CA -0.042 56.316 56.400 -0.069 0.000 0.870 162 E CB 0.282 29.935 29.700 -0.079 0.000 0.944 162 E HN 0.327 nan 8.360 nan 0.000 0.492 163 Q N 0.877 120.620 119.800 -0.094 0.000 2.452 163 Q HA -0.221 4.135 4.340 0.028 0.000 0.318 163 Q C -0.474 175.497 176.000 -0.049 0.000 1.386 163 Q CA 0.972 56.761 55.803 -0.024 0.000 0.872 163 Q CB -1.496 27.296 28.738 0.091 0.000 1.151 163 Q HN 0.264 nan 8.270 nan 0.000 0.417 164 K N -0.668 119.557 120.400 -0.291 0.000 2.482 164 K HA 0.653 4.990 4.320 0.028 0.000 0.251 164 K C -1.396 174.971 176.600 -0.388 0.000 0.936 164 K CA -0.819 55.367 56.287 -0.168 0.000 0.791 164 K CB 1.545 33.988 32.500 -0.095 0.000 1.213 164 K HN 0.038 nan 8.250 nan 0.000 0.428 165 Y N 0.474 120.801 120.300 0.046 0.000 2.570 165 Y HA 0.428 4.993 4.550 0.025 0.000 0.345 165 Y C 1.209 177.162 175.900 0.087 0.000 1.014 165 Y CA -0.682 57.455 58.100 0.062 0.000 1.063 165 Y CB 2.663 41.184 38.460 0.101 0.000 1.272 165 Y HN 0.852 nan 8.280 nan 0.000 0.477 166 G N 0.261 109.200 108.800 0.232 0.000 2.510 166 G HA2 0.225 4.202 3.960 0.028 0.000 0.212 166 G HA3 0.225 4.202 3.960 0.028 0.000 0.212 166 G C -0.460 174.706 174.900 0.443 0.000 1.151 166 G CA 0.314 45.600 45.100 0.310 0.000 0.817 166 G HN 0.299 nan 8.290 nan 0.000 0.534 167 V N 0.740 120.897 119.914 0.404 0.000 2.569 167 V HA 0.601 4.738 4.120 0.028 0.000 0.301 167 V C -1.317 174.978 176.094 0.336 0.000 1.044 167 V CA -0.720 61.813 62.300 0.389 0.000 0.874 167 V CB 1.837 33.953 31.823 0.488 0.000 1.002 167 V HN 0.189 nan 8.190 nan 0.000 0.424 168 L N 6.759 128.097 121.223 0.193 0.000 2.408 168 L HA 0.984 5.341 4.340 0.028 0.000 0.268 168 L C -1.059 175.871 176.870 0.100 0.000 0.986 168 L CA -0.183 54.648 54.840 -0.015 0.000 0.820 168 L CB 1.790 43.680 42.059 -0.283 0.000 1.303 168 L HN 0.694 nan 8.230 nan 0.000 0.411 169 F N 0.788 120.596 119.950 -0.236 0.000 2.773 169 F HA 0.478 5.022 4.527 0.029 0.000 0.314 169 F C -0.749 174.882 175.800 -0.280 0.000 1.160 169 F CA -1.012 56.846 58.000 -0.235 0.000 0.920 169 F CB 1.039 39.932 39.000 -0.178 0.000 1.323 169 F HN 0.463 nan 8.300 nan 0.000 0.457 170 E N 1.316 121.249 120.200 -0.445 0.000 2.053 170 E HA 0.345 4.711 4.350 0.028 0.000 0.297 170 E C 0.604 176.947 176.600 -0.428 0.000 1.173 170 E CA 0.182 56.281 56.400 -0.502 0.000 1.219 170 E CB 0.292 29.551 29.700 -0.734 0.000 1.103 170 E HN 0.687 nan 8.360 nan 0.000 0.476 171 A N 3.007 125.388 122.820 -0.732 0.000 2.235 171 A HA -0.093 4.244 4.320 0.028 0.000 0.208 171 A C 1.302 179.048 177.584 0.270 0.000 1.172 171 A CA 0.254 51.953 52.037 -0.563 0.000 0.786 171 A CB -0.116 18.185 19.000 -1.166 0.000 0.804 171 A HN 0.457 nan 8.150 nan 0.000 0.479 172 N N -0.709 118.165 118.700 0.289 0.000 2.236 172 N HA 0.020 4.777 4.740 0.028 0.000 0.196 172 N C -0.376 175.194 175.510 0.099 0.000 1.114 172 N CA -0.168 53.079 53.050 0.328 0.000 0.859 172 N CB -0.224 38.388 38.487 0.208 0.000 0.982 172 N HN 0.188 nan 8.380 nan 0.000 0.493 173 N N 0.586 119.342 118.700 0.093 0.000 2.446 173 N HA 0.126 4.882 4.740 0.028 0.000 0.265 173 N C -0.300 175.370 175.510 0.267 0.000 0.975 173 N CA -0.651 52.500 53.050 0.168 0.000 0.928 173 N CB 0.631 39.297 38.487 0.298 0.000 1.160 173 N HN -0.051 nan 8.380 nan 0.000 0.495 174 F N 4.668 124.626 119.950 0.013 0.000 2.250 174 F HA -0.168 4.375 4.527 0.027 0.000 0.301 174 F C 1.580 177.720 175.800 0.566 0.000 1.077 174 F CA 1.166 59.277 58.000 0.184 0.000 1.348 174 F CB -0.309 38.807 39.000 0.193 0.000 1.040 174 F HN 0.695 nan 8.300 nan 0.000 0.509 175 Y N -0.547 119.982 120.300 0.382 0.000 2.274 175 Y HA -0.284 4.282 4.550 0.027 0.000 0.290 175 Y C 1.664 177.700 175.900 0.228 0.000 1.145 175 Y CA 2.054 60.310 58.100 0.260 0.000 1.203 175 Y CB -0.706 37.721 38.460 -0.054 0.000 0.984 175 Y HN 0.147 nan 8.280 nan 0.000 0.533 176 Y N -0.840 119.639 120.300 0.298 0.000 2.301 176 Y HA -0.062 4.504 4.550 0.027 0.000 0.295 176 Y C 2.691 178.824 175.900 0.387 0.000 1.119 176 Y CA 1.567 59.861 58.100 0.324 0.000 1.162 176 Y CB -0.828 37.928 38.460 0.492 0.000 1.046 176 Y HN 0.155 nan 8.280 nan 0.000 0.538 177 T N -2.601 112.288 114.554 0.558 0.000 3.194 177 T HA -0.141 4.226 4.350 0.028 0.000 0.251 177 T C 1.476 176.378 174.700 0.337 0.000 1.132 177 T CA 0.295 62.690 62.100 0.492 0.000 1.028 177 T CB -0.878 68.441 68.868 0.753 0.000 0.976 177 T HN 0.437 nan 8.240 nan 0.000 0.535 178 Y N 2.378 122.685 120.300 0.012 0.000 2.314 178 Y HA 0.014 4.581 4.550 0.028 0.000 0.293 178 Y C 1.617 177.427 175.900 -0.151 0.000 1.129 178 Y CA 0.722 58.679 58.100 -0.238 0.000 1.201 178 Y CB -0.570 37.291 38.460 -0.998 0.000 0.999 178 Y HN 0.387 nan 8.280 nan 0.000 0.541 179 F N -0.771 119.043 119.950 -0.227 0.000 2.529 179 F HA -0.084 4.464 4.527 0.035 0.000 0.297 179 F C 1.319 176.963 175.800 -0.260 0.000 1.114 179 F CA 1.181 59.016 58.000 -0.275 0.000 1.467 179 F CB -0.695 38.217 39.000 -0.146 0.000 1.096 179 F HN 0.180 nan 8.300 nan 0.000 0.586 180 L N -2.052 118.724 121.223 -0.745 0.000 2.577 180 L HA 0.262 4.619 4.340 0.028 0.000 0.225 180 L C 1.605 178.199 176.870 -0.460 0.000 1.053 180 L CA 0.309 54.683 54.840 -0.777 0.000 0.866 180 L CB -0.242 41.245 42.059 -0.955 0.000 1.132 180 L HN -0.003 nan 8.230 nan 0.000 0.486 181 F N -0.041 119.710 119.950 -0.331 0.000 2.234 181 F HA 0.014 4.558 4.527 0.028 0.000 0.296 181 F C 2.511 178.126 175.800 -0.309 0.000 1.089 181 F CA 1.107 58.983 58.000 -0.207 0.000 1.343 181 F CB -0.712 38.279 39.000 -0.016 0.000 1.040 181 F HN 0.115 nan 8.300 nan 0.000 0.498 182 A N 0.049 122.647 122.820 -0.370 0.000 1.930 182 A HA 0.013 4.350 4.320 0.028 0.000 0.217 182 A C 2.379 179.839 177.584 -0.207 0.000 1.175 182 A CA 1.401 53.202 52.037 -0.393 0.000 0.627 182 A CB -1.177 17.410 19.000 -0.688 0.000 0.815 182 A HN 0.273 nan 8.150 nan 0.000 0.443 183 A N -0.298 122.394 122.820 -0.213 0.000 1.972 183 A HA -0.122 4.215 4.320 0.028 0.000 0.219 183 A C 1.884 179.391 177.584 -0.129 0.000 1.169 183 A CA 1.653 53.597 52.037 -0.155 0.000 0.635 183 A CB -0.230 18.651 19.000 -0.199 0.000 0.810 183 A HN 0.315 nan 8.150 nan 0.000 0.446 184 K N -1.423 118.894 120.400 -0.138 0.000 2.426 184 K HA 0.153 4.490 4.320 0.028 0.000 0.193 184 K C 1.109 177.677 176.600 -0.053 0.000 1.028 184 K CA 0.771 56.999 56.287 -0.098 0.000 1.047 184 K CB -0.141 32.292 32.500 -0.112 0.000 0.821 184 K HN 0.840 nan 8.250 nan 0.000 0.513 185 G N 0.896 109.666 108.800 -0.049 0.000 2.131 185 G HA2 -0.230 3.746 3.960 0.028 0.000 0.223 185 G HA3 -0.230 3.746 3.960 0.028 0.000 0.223 185 G C 0.137 175.043 174.900 0.011 0.000 0.990 185 G CA 0.102 45.192 45.100 -0.017 0.000 0.671 185 G HN 0.492 nan 8.290 nan 0.000 0.521 186 A N -0.321 122.511 122.820 0.021 0.000 2.310 186 A HA 1.000 5.337 4.320 0.028 0.000 0.299 186 A C 0.535 178.173 177.584 0.091 0.000 1.147 186 A CA 0.774 52.858 52.037 0.078 0.000 0.818 186 A CB 1.217 20.319 19.000 0.169 0.000 1.096 186 A HN 2.071 nan 8.150 nan 0.000 0.495 187 A N 1.597 124.483 122.820 0.110 0.000 2.384 187 A HA 0.623 4.959 4.320 0.028 0.000 0.312 187 A C 0.823 178.467 177.584 0.100 0.000 1.113 187 A CA -0.309 51.825 52.037 0.162 0.000 0.779 187 A CB 0.709 19.795 19.000 0.143 0.000 1.307 187 A HN 1.017 nan 8.150 nan 0.000 0.436 188 V N -0.116 119.861 119.914 0.106 0.000 2.255 188 V HA -0.006 4.131 4.120 0.028 0.000 0.243 188 V C 0.510 176.269 176.094 -0.560 0.000 1.038 188 V CA 1.544 63.701 62.300 -0.239 0.000 1.008 188 V CB -0.951 30.727 31.823 -0.240 0.000 0.645 188 V HN 0.644 nan 8.190 nan 0.000 0.449 189 F N -1.180 118.819 119.950 0.082 0.000 2.598 189 F HA 0.481 5.028 4.527 0.032 0.000 0.327 189 F C 0.266 176.104 175.800 0.063 0.000 1.057 189 F CA -1.073 56.958 58.000 0.052 0.000 0.957 189 F CB 1.162 40.184 39.000 0.037 0.000 1.278 189 F HN -0.232 nan 8.300 nan 0.000 0.484 190 K N 1.110 121.666 120.400 0.261 0.000 2.380 190 K HA 0.021 4.358 4.320 0.028 0.000 0.267 190 K C -0.311 176.372 176.600 0.138 0.000 0.990 190 K CA -0.095 56.285 56.287 0.155 0.000 0.946 190 K CB 0.611 33.182 32.500 0.118 0.000 0.937 190 K HN 0.760 nan 8.250 nan 0.000 0.491 191 E N 3.290 123.553 120.200 0.104 0.000 2.026 191 E HA -0.026 4.340 4.350 0.028 0.000 0.253 191 E C -0.918 175.722 176.600 0.066 0.000 1.056 191 E CA -0.347 56.106 56.400 0.089 0.000 0.927 191 E CB 0.425 30.174 29.700 0.082 0.000 1.172 191 E HN 0.260 nan 8.360 nan 0.000 0.445 192 Q N 4.101 123.937 119.800 0.060 0.000 2.771 192 Q HA 0.071 4.428 4.340 0.028 0.000 0.239 192 Q C -1.019 175.003 176.000 0.036 0.000 1.231 192 Q CA -0.236 55.592 55.803 0.042 0.000 1.056 192 Q CB -0.251 28.507 28.738 0.034 0.000 1.284 192 Q HN 0.413 nan 8.270 nan 0.000 0.558 193 D N 2.089 122.512 120.400 0.038 0.000 2.699 193 D HA -0.182 4.475 4.640 0.028 0.000 0.239 193 D C 0.277 176.601 176.300 0.041 0.000 1.136 193 D CA 1.509 55.531 54.000 0.035 0.000 0.668 193 D CB -1.216 39.599 40.800 0.025 0.000 1.060 193 D HN 0.839 nan 8.370 nan 0.000 0.429 194 G N -0.906 107.927 108.800 0.056 0.000 2.247 194 G HA2 0.065 4.042 3.960 0.028 0.000 0.229 194 G HA3 0.065 4.042 3.960 0.028 0.000 0.229 194 G C -0.119 174.835 174.900 0.089 0.000 1.345 194 G CA 0.166 45.307 45.100 0.068 0.000 1.100 194 G HN 0.345 nan 8.290 nan 0.000 0.473 195 T N 0.705 115.315 114.554 0.094 0.000 3.268 195 T HA 0.450 4.816 4.350 0.028 0.000 0.258 195 T C 1.485 176.211 174.700 0.043 0.000 0.966 195 T CA 0.092 62.263 62.100 0.119 0.000 0.952 195 T CB -0.535 68.438 68.868 0.174 0.000 1.132 195 T HN 0.445 nan 8.240 nan 0.000 0.536 196 L N 1.158 122.398 121.223 0.029 0.000 2.622 196 L HA 0.330 4.686 4.340 0.028 0.000 0.233 196 L C 0.648 177.492 176.870 -0.043 0.000 1.156 196 L CA 0.813 55.645 54.840 -0.013 0.000 0.866 196 L CB -0.032 42.027 42.059 0.000 0.000 0.980 196 L HN 0.320 nan 8.230 nan 0.000 0.448 197 D N -0.965 119.413 120.400 -0.036 0.000 2.440 197 D HA 0.213 4.870 4.640 0.028 0.000 0.252 197 D C -1.707 174.542 176.300 -0.086 0.000 1.180 197 D CA -1.862 52.117 54.000 -0.035 0.000 0.894 197 D CB 1.857 42.678 40.800 0.035 0.000 1.111 197 D HN -0.155 nan 8.370 nan 0.000 0.544 198 P HA -0.119 nan 4.420 nan 0.000 0.218 198 P C 0.444 177.783 177.300 0.064 0.000 1.148 198 P CA 1.028 63.976 63.100 -0.253 0.000 0.822 198 P CB 0.455 32.036 31.700 -0.197 0.000 0.784 199 N N -0.657 118.077 118.700 0.057 0.000 2.412 199 N HA -0.006 4.751 4.740 0.028 0.000 0.184 199 N C 0.116 175.685 175.510 0.098 0.000 1.101 199 N CA 0.133 53.227 53.050 0.073 0.000 0.881 199 N CB 0.103 38.612 38.487 0.036 0.000 0.969 199 N HN 0.092 nan 8.380 nan 0.000 0.459 200 E N 1.343 121.630 120.200 0.145 0.000 2.751 200 E HA 0.212 4.578 4.350 0.028 0.000 0.219 200 E C -0.551 176.146 176.600 0.161 0.000 1.060 200 E CA -0.215 56.261 56.400 0.126 0.000 0.893 200 E CB 0.733 30.493 29.700 0.101 0.000 1.300 200 E HN 0.285 nan 8.360 nan 0.000 0.433 201 I N 0.537 121.173 120.570 0.109 0.000 2.471 201 I HA 0.083 4.269 4.170 0.028 0.000 0.286 201 I C 1.525 177.615 176.117 -0.045 0.000 1.079 201 I CA 0.211 61.496 61.300 -0.025 0.000 1.398 201 I CB 1.059 39.013 38.000 -0.078 0.000 1.403 201 I HN 0.383 nan 8.210 nan 0.000 0.530 202 G N 6.270 115.023 108.800 -0.078 0.000 3.284 202 G HA2 0.095 4.072 3.960 0.028 0.000 0.236 202 G HA3 0.095 4.072 3.960 0.028 0.000 0.236 202 G C 0.873 175.750 174.900 -0.038 0.000 1.158 202 G CA -0.159 44.925 45.100 -0.027 0.000 0.774 202 G HN 0.409 nan 8.290 nan 0.000 0.545 203 L N 1.724 122.883 121.223 -0.106 0.000 2.627 203 L HA 0.183 4.540 4.340 0.028 0.000 0.233 203 L C 1.305 178.146 176.870 -0.049 0.000 1.144 203 L CA 0.365 55.129 54.840 -0.127 0.000 0.892 203 L CB -0.436 41.447 42.059 -0.293 0.000 1.039 203 L HN 0.464 nan 8.230 nan 0.000 0.442 204 N N -2.788 115.901 118.700 -0.018 0.000 2.232 204 N HA 0.022 4.779 4.740 0.028 0.000 0.240 204 N C 0.197 175.718 175.510 0.018 0.000 1.307 204 N CA 0.087 53.142 53.050 0.007 0.000 0.859 204 N CB -0.080 38.404 38.487 -0.005 0.000 1.260 204 N HN 0.103 nan 8.380 nan 0.000 0.501 205 S N 0.357 116.071 115.700 0.025 0.000 2.589 205 S HA 0.299 4.786 4.470 0.028 0.000 0.265 205 S C -1.430 173.188 174.600 0.030 0.000 1.342 205 S CA -0.556 57.660 58.200 0.027 0.000 1.005 205 S CB 1.055 64.273 63.200 0.031 0.000 0.909 205 S HN -0.116 nan 8.310 nan 0.000 0.555 206 P HA -0.084 nan 4.420 nan 0.000 0.216 206 P C 0.964 178.271 177.300 0.012 0.000 1.150 206 P CA 1.310 64.417 63.100 0.013 0.000 0.837 206 P CB -0.072 31.631 31.700 0.006 0.000 0.786 207 E N -0.468 119.743 120.200 0.018 0.000 2.204 207 E HA -0.088 4.279 4.350 0.028 0.000 0.194 207 E C 2.071 178.698 176.600 0.044 0.000 0.989 207 E CA 1.284 57.692 56.400 0.014 0.000 0.824 207 E CB -0.935 28.774 29.700 0.015 0.000 0.756 207 E HN 0.195 nan 8.360 nan 0.000 0.477 208 A N 0.405 123.285 122.820 0.099 0.000 1.929 208 A HA -0.084 4.252 4.320 0.028 0.000 0.216 208 A C 2.377 180.058 177.584 0.162 0.000 1.176 208 A CA 0.901 53.076 52.037 0.231 0.000 0.628 208 A CB -0.455 18.664 19.000 0.198 0.000 0.816 208 A HN 0.149 nan 8.150 nan 0.000 0.444 209 V N 0.150 120.105 119.914 0.068 0.000 2.343 209 V HA -0.325 3.812 4.120 0.028 0.000 0.247 209 V C 2.590 178.659 176.094 -0.041 0.000 1.051 209 V CA 2.240 64.555 62.300 0.024 0.000 1.036 209 V CB -0.995 30.836 31.823 0.014 0.000 0.654 209 V HN 0.633 nan 8.190 nan 0.000 0.451 210 Q N 0.148 119.912 119.800 -0.060 0.000 2.124 210 Q HA -0.118 4.239 4.340 0.028 0.000 0.202 210 Q C 2.416 178.292 176.000 -0.206 0.000 0.977 210 Q CA 1.601 57.341 55.803 -0.105 0.000 0.850 210 Q CB -0.533 28.153 28.738 -0.087 0.000 0.901 210 Q HN 0.723 nan 8.270 nan 0.000 0.429 211 G N 0.836 109.449 108.800 -0.312 0.000 2.418 211 G HA2 -0.274 3.703 3.960 0.028 0.000 0.217 211 G HA3 -0.274 3.703 3.960 0.028 0.000 0.217 211 G C 1.373 175.714 174.900 -0.932 0.000 1.158 211 G CA 0.907 45.573 45.100 -0.722 0.000 0.771 211 G HN 0.213 nan 8.290 nan 0.000 0.545 212 M N 0.944 120.169 119.600 -0.625 0.000 2.319 212 M HA 0.146 4.643 4.480 0.028 0.000 0.265 212 M C 1.978 178.199 176.300 -0.133 0.000 1.068 212 M CA 1.087 56.206 55.300 -0.301 0.000 1.118 212 M CB -0.740 31.864 32.600 0.007 0.000 1.395 212 M HN 0.294 nan 8.290 nan 0.000 0.435 213 N N -0.321 118.306 118.700 -0.121 0.000 2.149 213 N HA -0.177 4.580 4.740 0.028 0.000 0.188 213 N C 1.333 176.822 175.510 -0.035 0.000 1.019 213 N CA 1.229 54.245 53.050 -0.057 0.000 0.857 213 N CB -0.029 38.417 38.487 -0.067 0.000 0.997 213 N HN 0.394 nan 8.380 nan 0.000 0.426 214 E N 0.588 120.737 120.200 -0.085 0.000 2.107 214 E HA -0.066 4.301 4.350 0.028 0.000 0.191 214 E C 2.261 179.014 176.600 0.256 0.000 0.982 214 E CA 0.487 56.895 56.400 0.013 0.000 0.809 214 E CB -0.246 29.413 29.700 -0.068 0.000 0.756 214 E HN 0.184 nan 8.360 nan 0.000 0.459 215 V N 1.640 121.662 119.914 0.179 0.000 2.295 215 V HA -0.298 3.839 4.120 0.028 0.000 0.246 215 V C 2.698 179.068 176.094 0.460 0.000 1.049 215 V CA 2.153 64.673 62.300 0.366 0.000 1.024 215 V CB -0.597 31.378 31.823 0.253 0.000 0.648 215 V HN 0.283 nan 8.190 nan 0.000 0.447 216 Q N 0.262 120.247 119.800 0.308 0.000 2.077 216 Q HA -0.292 4.064 4.340 0.028 0.000 0.206 216 Q C 2.248 178.447 176.000 0.332 0.000 0.989 216 Q CA 2.106 58.102 55.803 0.322 0.000 0.853 216 Q CB -0.158 28.680 28.738 0.166 0.000 0.907 216 Q HN 0.590 nan 8.270 nan 0.000 0.418 217 K N -0.729 119.815 120.400 0.241 0.000 2.281 217 K HA -0.179 4.158 4.320 0.028 0.000 0.203 217 K C 1.518 178.273 176.600 0.258 0.000 1.046 217 K CA 1.369 57.779 56.287 0.205 0.000 0.938 217 K CB -0.159 32.363 32.500 0.036 0.000 0.737 217 K HN 0.394 nan 8.250 nan 0.000 0.458 218 W N -0.363 121.095 121.300 0.263 0.000 2.402 218 W HA -0.065 4.607 4.660 0.020 0.000 0.286 218 W C 1.480 177.873 176.519 -0.211 0.000 1.221 218 W CA 0.749 58.103 57.345 0.014 0.000 1.257 218 W CB -0.125 29.240 29.460 -0.159 0.000 1.120 218 W HN -0.014 nan 8.180 nan 0.000 0.551 219 F N -2.007 118.126 119.950 0.305 0.000 2.530 219 F HA 0.011 4.549 4.527 0.018 0.000 0.292 219 F C 2.269 178.149 175.800 0.134 0.000 1.109 219 F CA 1.041 59.154 58.000 0.189 0.000 1.450 219 F CB -0.711 38.381 39.000 0.154 0.000 1.114 219 F HN -0.362 nan 8.300 nan 0.000 0.560 220 T N -0.549 114.177 114.554 0.287 0.000 2.818 220 T HA -0.047 4.320 4.350 0.028 0.000 0.246 220 T C 1.750 176.521 174.700 0.119 0.000 1.036 220 T CA 1.203 63.413 62.100 0.183 0.000 1.160 220 T CB -0.019 68.946 68.868 0.161 0.000 0.869 220 T HN 0.150 nan 8.240 nan 0.000 0.419 221 E N 0.907 121.175 120.200 0.113 0.000 2.045 221 E HA 0.182 4.548 4.350 0.028 0.000 0.190 221 E C 2.182 178.735 176.600 -0.079 0.000 0.968 221 E CA 0.632 57.064 56.400 0.054 0.000 0.813 221 E CB -0.097 29.703 29.700 0.167 0.000 0.780 221 E HN 0.327 nan 8.360 nan 0.000 0.455 222 A N 1.539 124.222 122.820 -0.228 0.000 2.239 222 A HA -0.096 4.241 4.320 0.028 0.000 0.209 222 A C 0.519 178.081 177.584 -0.038 0.000 1.171 222 A CA 0.495 52.328 52.037 -0.339 0.000 0.768 222 A CB -0.838 17.719 19.000 -0.738 0.000 0.790 222 A HN 0.368 nan 8.150 nan 0.000 0.478 223 R N -1.079 119.446 120.500 0.042 0.000 3.301 223 R HA -0.178 4.179 4.340 0.028 0.000 0.249 223 R C -0.900 175.526 176.300 0.210 0.000 0.964 223 R CA 0.639 56.815 56.100 0.128 0.000 0.653 223 R CB -2.806 27.543 30.300 0.082 0.000 1.043 223 R HN 0.412 nan 8.270 nan 0.000 0.454 224 L N 0.713 122.031 121.223 0.159 0.000 2.439 224 L HA 0.333 4.690 4.340 0.028 0.000 0.269 224 L C -1.435 175.617 176.870 0.304 0.000 1.179 224 L CA -2.133 52.778 54.840 0.119 0.000 0.828 224 L CB 0.165 42.059 42.059 -0.276 0.000 1.106 224 L HN 0.081 nan 8.230 nan 0.000 0.467 225 P HA 0.128 nan 4.420 nan 0.000 0.275 225 P C -1.032 176.447 177.300 0.298 0.000 1.228 225 P CA -0.499 62.757 63.100 0.260 0.000 0.786 225 P CB 0.523 32.338 31.700 0.192 0.000 0.927 226 Q N 0.471 120.383 119.800 0.186 0.000 2.492 226 Q HA 0.168 4.525 4.340 0.028 0.000 0.238 226 Q C 0.612 176.643 176.000 0.051 0.000 1.045 226 Q CA 0.064 55.898 55.803 0.052 0.000 0.934 226 Q CB -0.005 28.724 28.738 -0.014 0.000 1.276 226 Q HN 0.526 nan 8.270 nan 0.000 0.521 227 S N -0.148 115.552 115.700 -0.000 0.000 3.635 227 S HA -0.156 4.331 4.470 0.028 0.000 0.328 227 S C -0.087 174.523 174.600 0.018 0.000 1.135 227 S CA -0.151 58.049 58.200 0.000 0.000 0.942 227 S CB -1.255 61.946 63.200 0.001 0.000 0.930 227 S HN 0.479 nan 8.310 nan 0.000 0.512 228 L N 1.286 122.534 121.223 0.042 0.000 2.514 228 L HA 0.244 4.601 4.340 0.028 0.000 0.280 228 L C 0.641 177.501 176.870 -0.017 0.000 1.223 228 L CA 0.979 55.828 54.840 0.014 0.000 0.864 228 L CB 0.304 42.372 42.059 0.015 0.000 1.118 228 L HN 0.486 nan 8.230 nan 0.000 0.494 229 K N 1.666 122.048 120.400 -0.029 0.000 2.522 229 K HA 0.635 4.972 4.320 0.028 0.000 0.275 229 K C 0.236 176.816 176.600 -0.034 0.000 1.006 229 K CA -0.423 55.843 56.287 -0.036 0.000 0.890 229 K CB 1.419 33.906 32.500 -0.022 0.000 1.475 229 K HN 0.326 nan 8.250 nan 0.000 0.441 230 A N 0.726 123.532 122.820 -0.024 0.000 1.948 230 A HA -0.222 4.114 4.320 0.028 0.000 0.220 230 A C 1.450 179.069 177.584 0.059 0.000 1.177 230 A CA 2.223 54.274 52.037 0.023 0.000 0.636 230 A CB -0.919 18.110 19.000 0.048 0.000 0.815 230 A HN 0.847 nan 8.150 nan 0.000 0.449 231 D N -0.787 119.637 120.400 0.041 0.000 2.149 231 D HA -0.092 4.565 4.640 0.028 0.000 0.198 231 D C 2.032 178.368 176.300 0.061 0.000 0.990 231 D CA 1.816 55.849 54.000 0.055 0.000 0.839 231 D CB -0.460 40.361 40.800 0.034 0.000 0.948 231 D HN 0.430 nan 8.370 nan 0.000 0.460 232 T N 0.033 114.609 114.554 0.036 0.000 2.777 232 T HA -0.068 4.299 4.350 0.028 0.000 0.266 232 T C 2.227 176.947 174.700 0.034 0.000 1.040 232 T CA 0.761 62.881 62.100 0.032 0.000 1.141 232 T CB -0.203 68.670 68.868 0.008 0.000 0.868 232 T HN -0.031 nan 8.240 nan 0.000 0.444 233 V N 2.644 122.571 119.914 0.021 0.000 2.295 233 V HA -0.173 3.963 4.120 0.028 0.000 0.246 233 V C 2.450 178.618 176.094 0.123 0.000 1.049 233 V CA 1.487 63.804 62.300 0.028 0.000 1.024 233 V CB -0.619 31.209 31.823 0.007 0.000 0.648 233 V HN 0.436 nan 8.190 nan 0.000 0.447 234 N N 1.059 119.871 118.700 0.187 0.000 2.084 234 N HA -0.114 4.642 4.740 0.028 0.000 0.190 234 N C 1.967 177.628 175.510 0.251 0.000 1.030 234 N CA 1.781 55.022 53.050 0.317 0.000 0.849 234 N CB -0.857 37.834 38.487 0.340 0.000 1.012 234 N HN 0.512 nan 8.380 nan 0.000 0.423 235 G N 1.652 110.553 108.800 0.168 0.000 2.440 235 G HA2 -0.177 3.799 3.960 0.028 0.000 0.218 235 G HA3 -0.177 3.799 3.960 0.028 0.000 0.218 235 G C 1.729 176.696 174.900 0.113 0.000 1.154 235 G CA 0.484 45.661 45.100 0.128 0.000 0.767 235 G HN 0.221 nan 8.290 nan 0.000 0.552 236 L N -1.070 120.225 121.223 0.120 0.000 2.056 236 L HA 0.070 4.427 4.340 0.028 0.000 0.207 236 L C 2.547 179.490 176.870 0.122 0.000 1.078 236 L CA 0.738 55.652 54.840 0.124 0.000 0.749 236 L CB -0.407 41.740 42.059 0.148 0.000 0.901 236 L HN 0.204 nan 8.230 nan 0.000 0.433 237 F N 1.083 121.007 119.950 -0.043 0.000 2.134 237 F HA -0.211 4.332 4.527 0.028 0.000 0.299 237 F C 2.482 178.189 175.800 -0.155 0.000 1.097 237 F CA 1.612 59.523 58.000 -0.148 0.000 1.264 237 F CB -0.114 38.677 39.000 -0.349 0.000 1.001 237 F HN -0.134 nan 8.300 nan 0.000 0.479 238 K N -0.216 120.179 120.400 -0.008 0.000 2.147 238 K HA -0.118 4.219 4.320 0.028 0.000 0.205 238 K C 1.928 178.490 176.600 -0.063 0.000 1.049 238 K CA 1.497 57.767 56.287 -0.028 0.000 0.936 238 K CB -0.408 32.166 32.500 0.124 0.000 0.722 238 K HN 0.345 nan 8.250 nan 0.000 0.446 239 S N -0.266 115.416 115.700 -0.030 0.000 2.660 239 S HA 0.095 4.582 4.470 0.028 0.000 0.223 239 S C 1.193 175.754 174.600 -0.064 0.000 0.963 239 S CA 0.309 58.493 58.200 -0.026 0.000 0.932 239 S CB 0.099 63.307 63.200 0.012 0.000 0.775 239 S HN 0.433 nan 8.310 nan 0.000 0.531 240 G N 1.526 110.239 108.800 -0.145 0.000 2.160 240 G HA2 -0.268 3.709 3.960 0.028 0.000 0.244 240 G HA3 -0.268 3.709 3.960 0.028 0.000 0.244 240 G C 0.367 175.208 174.900 -0.098 0.000 1.022 240 G CA 0.426 45.419 45.100 -0.179 0.000 0.741 240 G HN 0.573 nan 8.290 nan 0.000 0.508 241 K N -0.892 119.485 120.400 -0.038 0.000 2.373 241 K HA 0.440 4.777 4.320 0.028 0.000 0.202 241 K C 0.151 176.825 176.600 0.123 0.000 1.025 241 K CA 0.115 56.427 56.287 0.041 0.000 1.115 241 K CB 1.432 33.976 32.500 0.073 0.000 0.858 241 K HN 0.247 nan 8.250 nan 0.000 0.525 242 V N 0.692 120.679 119.914 0.122 0.000 2.569 242 V HA 0.231 4.368 4.120 0.028 0.000 0.301 242 V C 0.620 176.879 176.094 0.275 0.000 1.044 242 V CA -0.588 61.874 62.300 0.270 0.000 0.874 242 V CB 1.538 33.587 31.823 0.376 0.000 1.002 242 V HN 0.152 nan 8.190 nan 0.000 0.424 243 A N 3.901 126.900 122.820 0.298 0.000 1.873 243 A HA 0.523 4.859 4.320 0.028 0.000 0.215 243 A C 1.080 178.913 177.584 0.416 0.000 1.186 243 A CA 1.569 53.792 52.037 0.310 0.000 0.616 243 A CB -0.001 19.216 19.000 0.361 0.000 0.823 243 A HN 1.486 nan 8.150 nan 0.000 0.442 244 A N -1.271 121.781 122.820 0.386 0.000 2.547 244 A HA 0.580 4.916 4.320 0.028 0.000 0.297 244 A C -0.541 177.123 177.584 0.133 0.000 1.056 244 A CA 0.073 52.277 52.037 0.278 0.000 0.688 244 A CB 1.059 20.162 19.000 0.172 0.000 1.282 244 A HN 1.422 nan 8.150 nan 0.000 0.400 245 V N -0.423 119.442 119.914 -0.082 0.000 3.046 245 V HA 0.819 4.956 4.120 0.028 0.000 0.316 245 V C -0.509 175.544 176.094 -0.069 0.000 1.104 245 V CA -0.956 61.289 62.300 -0.092 0.000 1.006 245 V CB 1.747 33.416 31.823 -0.257 0.000 1.058 245 V HN 0.717 nan 8.190 nan 0.000 0.440 246 I N 3.578 124.138 120.570 -0.017 0.000 2.307 246 I HA 0.567 4.754 4.170 0.028 0.000 0.289 246 I C -0.111 176.139 176.117 0.222 0.000 1.021 246 I CA 0.224 61.505 61.300 -0.031 0.000 1.224 246 I CB 0.782 38.592 38.000 -0.318 0.000 1.376 246 I HN 0.809 nan 8.210 nan 0.000 0.470 247 N N 3.470 122.263 118.700 0.154 0.000 3.106 247 N HA 0.611 5.368 4.740 0.028 0.000 0.253 247 N C -0.737 174.650 175.510 -0.206 0.000 1.506 247 N CA -0.395 52.768 53.050 0.189 0.000 0.876 247 N CB 2.057 40.640 38.487 0.159 0.000 1.452 247 N HN 0.513 nan 8.380 nan 0.000 0.542 248 G N -0.319 107.859 108.800 -1.038 0.000 2.705 248 G HA2 0.467 4.444 3.960 0.028 0.000 0.299 248 G HA3 0.467 4.444 3.960 0.028 0.000 0.299 248 G C -1.954 171.914 174.900 -1.720 0.000 1.315 248 G CA -1.146 42.913 45.100 -1.735 0.000 1.045 248 G HN 0.386 nan 8.290 nan 0.000 0.517 249 P HA -0.098 nan 4.420 nan 0.000 0.218 249 P C 1.341 178.239 177.300 -0.671 0.000 1.148 249 P CA 1.453 63.789 63.100 -1.274 0.000 0.822 249 P CB -0.025 31.123 31.700 -0.920 0.000 0.784 250 W N -0.298 120.812 121.300 -0.316 0.000 2.538 250 W HA 0.108 4.783 4.660 0.026 0.000 0.254 250 W C 1.633 178.003 176.519 -0.250 0.000 1.249 250 W CA 0.883 58.090 57.345 -0.230 0.000 1.253 250 W CB -1.773 27.581 29.460 -0.178 0.000 1.130 250 W HN -0.106 nan 8.180 nan 0.000 0.618 251 A N 0.259 122.777 122.820 -0.502 0.000 2.169 251 A HA 0.170 4.506 4.320 0.028 0.000 0.210 251 A C 1.821 178.941 177.584 -0.773 0.000 1.168 251 A CA 0.485 52.163 52.037 -0.598 0.000 0.813 251 A CB -0.527 17.977 19.000 -0.827 0.000 0.861 251 A HN 0.317 nan 8.150 nan 0.000 0.481 252 I N 0.230 120.518 120.570 -0.469 0.000 2.091 252 I HA -0.304 3.883 4.170 0.028 0.000 0.239 252 I C 2.304 178.350 176.117 -0.118 0.000 1.061 252 I CA 1.389 62.557 61.300 -0.220 0.000 1.317 252 I CB -0.179 37.770 38.000 -0.084 0.000 1.031 252 I HN 0.090 nan 8.210 nan 0.000 0.401 253 K N 0.343 120.671 120.400 -0.120 0.000 2.074 253 K HA -0.272 4.065 4.320 0.028 0.000 0.209 253 K C 1.775 178.367 176.600 -0.013 0.000 1.048 253 K CA 1.937 58.188 56.287 -0.059 0.000 0.926 253 K CB -0.737 31.723 32.500 -0.068 0.000 0.713 253 K HN 0.378 nan 8.250 nan 0.000 0.444 254 D N -0.147 120.226 120.400 -0.045 0.000 2.097 254 D HA -0.172 4.485 4.640 0.028 0.000 0.195 254 D C 1.833 178.243 176.300 0.183 0.000 0.989 254 D CA 1.137 55.157 54.000 0.033 0.000 0.827 254 D CB -0.018 40.778 40.800 -0.005 0.000 0.966 254 D HN 0.103 nan 8.370 nan 0.000 0.456 255 Y N 0.926 121.289 120.300 0.106 0.000 2.145 255 Y HA -0.084 4.483 4.550 0.027 0.000 0.286 255 Y C 2.580 178.531 175.900 0.084 0.000 1.145 255 Y CA 0.964 59.155 58.100 0.152 0.000 1.148 255 Y CB -1.128 37.488 38.460 0.259 0.000 0.981 255 Y HN 0.196 nan 8.280 nan 0.000 0.507 256 Q N -0.677 119.252 119.800 0.216 0.000 2.224 256 Q HA -0.074 4.282 4.340 0.028 0.000 0.203 256 Q C 2.442 178.489 176.000 0.077 0.000 0.970 256 Q CA 1.057 56.929 55.803 0.115 0.000 0.865 256 Q CB -0.253 28.526 28.738 0.070 0.000 0.922 256 Q HN 0.463 nan 8.270 nan 0.000 0.445 257 A N 0.767 123.634 122.820 0.078 0.000 2.015 257 A HA -0.014 4.322 4.320 0.028 0.000 0.219 257 A C 2.113 179.733 177.584 0.060 0.000 1.163 257 A CA 1.362 53.434 52.037 0.058 0.000 0.646 257 A CB -0.377 18.655 19.000 0.052 0.000 0.806 257 A HN 0.356 nan 8.150 nan 0.000 0.448 258 A N -1.854 121.017 122.820 0.085 0.000 2.208 258 A HA 0.417 4.753 4.320 0.028 0.000 0.209 258 A C 1.704 179.306 177.584 0.029 0.000 1.161 258 A CA 1.169 53.244 52.037 0.063 0.000 0.782 258 A CB -0.764 18.290 19.000 0.090 0.000 0.816 258 A HN 1.836 nan 8.150 nan 0.000 0.477 259 G N -1.101 107.719 108.800 0.034 0.000 2.132 259 G HA2 -0.186 3.790 3.960 0.028 0.000 0.234 259 G HA3 -0.186 3.790 3.960 0.028 0.000 0.234 259 G C -0.106 174.784 174.900 -0.018 0.000 0.989 259 G CA 0.091 45.196 45.100 0.009 0.000 0.676 259 G HN 0.333 nan 8.290 nan 0.000 0.522 260 I N 1.091 121.648 120.570 -0.022 0.000 2.496 260 I HA 0.201 4.388 4.170 0.028 0.000 0.285 260 I C 0.729 176.829 176.117 -0.028 0.000 1.080 260 I CA -0.785 60.463 61.300 -0.087 0.000 1.404 260 I CB 0.938 38.813 38.000 -0.208 0.000 1.403 260 I HN 0.107 nan 8.210 nan 0.000 0.539 261 N N 6.593 125.262 118.700 -0.052 0.000 2.549 261 N HA 0.070 4.827 4.740 0.028 0.000 0.267 261 N C -0.695 174.781 175.510 -0.056 0.000 1.182 261 N CA -0.212 52.817 53.050 -0.035 0.000 1.019 261 N CB 0.095 38.565 38.487 -0.029 0.000 1.380 261 N HN 0.405 nan 8.380 nan 0.000 0.505 262 V N 0.800 120.701 119.914 -0.023 0.000 2.555 262 V HA 0.779 4.916 4.120 0.028 0.000 0.286 262 V C 0.865 176.808 176.094 -0.252 0.000 1.044 262 V CA -0.728 61.542 62.300 -0.050 0.000 1.026 262 V CB 0.890 32.786 31.823 0.122 0.000 0.981 262 V HN 0.381 nan 8.190 nan 0.000 0.480 263 G N 3.215 111.617 108.800 -0.663 0.000 2.448 263 G HA2 0.637 4.613 3.960 0.028 0.000 0.324 263 G HA3 0.637 4.613 3.960 0.028 0.000 0.324 263 G C -1.175 173.296 174.900 -0.715 0.000 1.203 263 G CA -0.775 43.783 45.100 -0.904 0.000 0.954 263 G HN 1.050 nan 8.290 nan 0.000 0.480 264 V N 0.994 120.711 119.914 -0.330 0.000 2.443 264 V HA 0.715 4.852 4.120 0.028 0.000 0.293 264 V C 0.274 176.266 176.094 -0.170 0.000 1.021 264 V CA -0.676 61.430 62.300 -0.322 0.000 0.848 264 V CB 0.902 32.347 31.823 -0.631 0.000 0.998 264 V HN 1.130 nan 8.190 nan 0.000 0.424 265 A N 7.396 130.182 122.820 -0.056 0.000 2.354 265 A HA 1.033 5.369 4.320 0.028 0.000 0.321 265 A C -2.761 174.729 177.584 -0.157 0.000 1.125 265 A CA -2.035 49.964 52.037 -0.063 0.000 0.799 265 A CB 1.530 20.532 19.000 0.004 0.000 1.293 265 A HN 0.567 nan 8.150 nan 0.000 0.452 266 P HA 0.137 nan 4.420 nan 0.000 0.269 266 P C -0.499 176.718 177.300 -0.139 0.000 1.217 266 P CA -0.243 62.779 63.100 -0.130 0.000 0.783 266 P CB 0.278 31.925 31.700 -0.088 0.000 0.898 267 L N 3.989 125.106 121.223 -0.178 0.000 2.499 267 L HA 0.131 4.488 4.340 0.028 0.000 0.273 267 L C -1.817 174.975 176.870 -0.129 0.000 1.195 267 L CA -0.883 53.822 54.840 -0.225 0.000 0.882 267 L CB -1.339 40.464 42.059 -0.427 0.000 1.133 267 L HN 0.297 nan 8.230 nan 0.000 0.483 268 P HA -0.008 nan 4.420 nan 0.000 0.264 268 P C -0.681 176.649 177.300 0.049 0.000 1.183 268 P CA -0.093 63.005 63.100 -0.003 0.000 0.763 268 P CB 0.264 31.983 31.700 0.033 0.000 0.807 269 K N 2.955 123.378 120.400 0.038 0.000 2.469 269 K HA 0.153 4.490 4.320 0.028 0.000 0.274 269 K C 0.360 177.024 176.600 0.106 0.000 0.983 269 K CA 0.257 56.572 56.287 0.047 0.000 0.974 269 K CB 0.239 32.755 32.500 0.026 0.000 0.913 269 K HN 0.528 nan 8.250 nan 0.000 0.493 270 I N 1.392 122.008 120.570 0.078 0.000 2.499 270 I HA 0.080 4.267 4.170 0.028 0.000 0.288 270 I C -0.836 175.290 176.117 0.015 0.000 1.048 270 I CA -0.161 61.179 61.300 0.068 0.000 1.062 270 I CB 1.101 39.073 38.000 -0.046 0.000 1.238 270 I HN 0.581 nan 8.210 nan 0.000 0.426 271 D N 5.307 125.722 120.400 0.024 0.000 2.870 271 D HA -0.172 4.484 4.640 0.028 0.000 0.228 271 D C 0.822 177.127 176.300 0.009 0.000 1.147 271 D CA 1.668 55.670 54.000 0.004 0.000 0.757 271 D CB -1.355 39.429 40.800 -0.027 0.000 1.091 271 D HN 1.251 nan 8.370 nan 0.000 0.429 272 G N 0.018 108.832 108.800 0.023 0.000 2.273 272 G HA2 -0.344 3.632 3.960 0.028 0.000 0.280 272 G HA3 -0.344 3.632 3.960 0.028 0.000 0.280 272 G C 0.125 175.031 174.900 0.010 0.000 1.047 272 G CA 1.054 46.164 45.100 0.017 0.000 0.869 272 G HN 0.618 nan 8.290 nan 0.000 0.502 273 K N -0.291 120.115 120.400 0.011 0.000 2.527 273 K HA 0.309 4.646 4.320 0.028 0.000 0.260 273 K C -0.767 175.837 176.600 0.007 0.000 0.937 273 K CA -1.046 55.244 56.287 0.005 0.000 0.826 273 K CB 1.287 33.786 32.500 -0.003 0.000 1.359 273 K HN 0.021 nan 8.250 nan 0.000 0.434 274 D N 1.941 122.343 120.400 0.004 0.000 2.583 274 D HA -0.028 4.629 4.640 0.028 0.000 0.232 274 D C -0.186 176.116 176.300 0.004 0.000 1.128 274 D CA 0.577 54.578 54.000 0.001 0.000 0.859 274 D CB 0.829 41.631 40.800 0.003 0.000 1.169 274 D HN 0.597 nan 8.370 nan 0.000 0.481 275 A N 3.223 126.039 122.820 -0.007 0.000 2.477 275 A HA 0.028 4.365 4.320 0.028 0.000 0.246 275 A C 0.485 178.076 177.584 0.012 0.000 1.078 275 A CA -0.096 51.946 52.037 0.008 0.000 0.770 275 A CB 0.305 19.235 19.000 -0.117 0.000 1.011 275 A HN 0.581 nan 8.150 nan 0.000 0.494 276 Q N 2.412 122.242 119.800 0.050 0.000 2.563 276 Q HA 0.301 4.658 4.340 0.028 0.000 0.232 276 Q C 0.143 176.198 176.000 0.092 0.000 1.106 276 Q CA -0.367 55.464 55.803 0.046 0.000 0.913 276 Q CB 0.294 29.039 28.738 0.012 0.000 1.175 276 Q HN 0.894 nan 8.270 nan 0.000 0.540 277 T N -0.548 114.052 114.554 0.078 0.000 2.788 277 T HA 0.318 4.684 4.350 0.028 0.000 0.287 277 T C 0.192 174.940 174.700 0.079 0.000 1.007 277 T CA -0.494 61.649 62.100 0.072 0.000 1.005 277 T CB 0.552 69.417 68.868 -0.005 0.000 1.012 277 T HN 0.319 nan 8.240 nan 0.000 0.530 278 F N 0.187 120.129 119.950 -0.012 0.000 2.459 278 F HA 0.438 4.981 4.527 0.027 0.000 0.346 278 F C 0.636 176.436 175.800 0.000 0.000 1.128 278 F CA -0.873 57.058 58.000 -0.116 0.000 1.268 278 F CB 0.628 39.442 39.000 -0.310 0.000 1.161 278 F HN 0.338 nan 8.300 nan 0.000 0.583 279 I N 2.022 122.802 120.570 0.349 0.000 2.378 279 I HA 0.417 4.604 4.170 0.028 0.000 0.291 279 I C 0.185 176.525 176.117 0.372 0.000 0.992 279 I CA -0.425 61.042 61.300 0.277 0.000 1.154 279 I CB 1.580 39.700 38.000 0.200 0.000 1.315 279 I HN 0.577 nan 8.210 nan 0.000 0.448 280 G N 5.514 114.515 108.800 0.335 0.000 2.470 280 G HA2 0.611 4.588 3.960 0.028 0.000 0.320 280 G HA3 0.611 4.588 3.960 0.028 0.000 0.320 280 G C -1.092 173.971 174.900 0.272 0.000 1.245 280 G CA -0.353 44.966 45.100 0.366 0.000 0.935 280 G HN 0.323 nan 8.290 nan 0.000 0.476 281 V N 2.607 122.745 119.914 0.373 0.000 2.417 281 V HA 0.406 4.543 4.120 0.028 0.000 0.291 281 V C -0.073 176.084 176.094 0.105 0.000 1.024 281 V CA -0.835 61.532 62.300 0.112 0.000 0.861 281 V CB 1.571 33.350 31.823 -0.072 0.000 0.985 281 V HN 0.656 nan 8.190 nan 0.000 0.436 282 K N 3.464 123.839 120.400 -0.041 0.000 2.240 282 K HA 0.698 5.035 4.320 0.028 0.000 0.271 282 K C 0.183 176.583 176.600 -0.334 0.000 1.018 282 K CA -0.281 55.913 56.287 -0.155 0.000 0.874 282 K CB 2.089 34.476 32.500 -0.189 0.000 1.098 282 K HN 0.870 nan 8.250 nan 0.000 0.458 283 G N 1.961 110.454 108.800 -0.512 0.000 2.569 283 G HA2 0.450 4.426 3.960 0.028 0.000 0.300 283 G HA3 0.450 4.426 3.960 0.028 0.000 0.300 283 G C -1.603 172.658 174.900 -1.066 0.000 1.269 283 G CA -0.846 43.793 45.100 -0.768 0.000 0.959 283 G HN 0.505 nan 8.290 nan 0.000 0.478 284 W N -0.110 120.763 121.300 -0.712 0.000 2.315 284 W HA 0.582 5.259 4.660 0.029 0.000 0.316 284 W C -0.769 175.294 176.519 -0.760 0.000 1.211 284 W CA -0.433 56.549 57.345 -0.606 0.000 1.201 284 W CB 1.159 30.416 29.460 -0.338 0.000 1.184 284 W HN 0.350 nan 8.180 nan 0.000 0.544 285 Y N 2.446 122.741 120.300 -0.008 0.000 2.524 285 Y HA 0.498 5.065 4.550 0.028 0.000 0.344 285 Y C -0.428 175.441 175.900 -0.051 0.000 1.012 285 Y CA -1.532 56.514 58.100 -0.090 0.000 1.068 285 Y CB 0.933 39.227 38.460 -0.276 0.000 1.249 285 Y HN 0.068 nan 8.280 nan 0.000 0.468 286 L N 2.143 123.455 121.223 0.148 0.000 2.257 286 L HA 0.427 4.784 4.340 0.028 0.000 0.290 286 L C 0.261 177.163 176.870 0.054 0.000 1.044 286 L CA -0.248 54.627 54.840 0.058 0.000 0.810 286 L CB 0.774 42.850 42.059 0.027 0.000 1.193 286 L HN 0.665 nan 8.230 nan 0.000 0.425 287 S N 3.874 119.582 115.700 0.013 0.000 2.546 287 S HA 0.209 4.696 4.470 0.028 0.000 0.290 287 S C 1.523 176.086 174.600 -0.062 0.000 1.290 287 S CA 0.132 58.335 58.200 0.006 0.000 1.069 287 S CB 0.695 63.891 63.200 -0.008 0.000 0.846 287 S HN 0.892 nan 8.310 nan 0.000 0.495 288 A N 4.697 127.411 122.820 -0.177 0.000 2.178 288 A HA 0.047 4.384 4.320 0.028 0.000 0.218 288 A C 0.838 178.084 177.584 -0.562 0.000 1.157 288 A CA 1.006 52.807 52.037 -0.393 0.000 0.689 288 A CB -0.522 18.148 19.000 -0.549 0.000 0.787 288 A HN 0.950 nan 8.150 nan 0.000 0.465 289 Y N -0.742 119.554 120.300 -0.007 0.000 2.507 289 Y HA 0.296 4.862 4.550 0.028 0.000 0.254 289 Y C 1.270 177.135 175.900 -0.058 0.000 1.171 289 Y CA -0.392 57.690 58.100 -0.029 0.000 1.238 289 Y CB -0.188 38.260 38.460 -0.020 0.000 1.148 289 Y HN 0.174 nan 8.280 nan 0.000 0.525 290 S N 1.250 116.958 115.700 0.013 0.000 2.525 290 S HA 0.004 4.491 4.470 0.028 0.000 0.285 290 S C 1.179 175.722 174.600 -0.094 0.000 1.283 290 S CA -0.192 57.995 58.200 -0.021 0.000 1.072 290 S CB 0.529 63.724 63.200 -0.008 0.000 0.867 290 S HN 0.467 nan 8.310 nan 0.000 0.492 291 K N 3.520 123.778 120.400 -0.237 0.000 2.459 291 K HA 0.033 4.369 4.320 0.028 0.000 0.193 291 K C -0.457 175.722 176.600 -0.702 0.000 1.030 291 K CA 0.741 56.715 56.287 -0.522 0.000 1.026 291 K CB 0.127 32.193 32.500 -0.723 0.000 0.809 291 K HN 0.741 nan 8.250 nan 0.000 0.504 292 Y N -0.106 120.230 120.300 0.060 0.000 2.516 292 Y HA 0.182 4.749 4.550 0.028 0.000 0.341 292 Y C -1.894 174.064 175.900 0.097 0.000 0.912 292 Y CA -2.018 56.157 58.100 0.126 0.000 1.167 292 Y CB 0.631 39.180 38.460 0.148 0.000 1.195 292 Y HN -0.001 nan 8.280 nan 0.000 0.610 293 P HA -0.232 nan 4.420 nan 0.000 0.218 293 P C 1.460 178.779 177.300 0.032 0.000 1.148 293 P CA 1.497 64.624 63.100 0.046 0.000 0.822 293 P CB 0.599 32.298 31.700 -0.003 0.000 0.784 294 K N -0.743 119.668 120.400 0.017 0.000 2.007 294 K HA -0.126 4.211 4.320 0.028 0.000 0.206 294 K C 2.289 178.827 176.600 -0.104 0.000 1.047 294 K CA 1.209 57.434 56.287 -0.104 0.000 0.937 294 K CB -0.401 31.953 32.500 -0.243 0.000 0.718 294 K HN 0.046 nan 8.250 nan 0.000 0.438 295 Y N 0.168 120.519 120.300 0.085 0.000 2.352 295 Y HA -0.083 4.484 4.550 0.028 0.000 0.292 295 Y C 2.169 178.094 175.900 0.041 0.000 1.136 295 Y CA 0.976 59.129 58.100 0.088 0.000 1.227 295 Y CB -0.217 38.288 38.460 0.075 0.000 0.991 295 Y HN 0.176 nan 8.280 nan 0.000 0.545 296 A N -0.675 122.230 122.820 0.142 0.000 1.930 296 A HA -0.107 4.229 4.320 0.028 0.000 0.215 296 A C 2.211 179.754 177.584 -0.070 0.000 1.176 296 A CA 1.819 53.852 52.037 -0.008 0.000 0.632 296 A CB -0.977 18.025 19.000 0.003 0.000 0.819 296 A HN 0.354 nan 8.150 nan 0.000 0.445 297 T N 0.122 114.660 114.554 -0.026 0.000 2.867 297 T HA -0.107 4.260 4.350 0.028 0.000 0.268 297 T C 1.664 176.355 174.700 -0.015 0.000 1.057 297 T CA 1.559 63.638 62.100 -0.036 0.000 1.136 297 T CB -0.171 68.681 68.868 -0.027 0.000 0.874 297 T HN 0.642 nan 8.240 nan 0.000 0.466 298 E N 0.565 120.782 120.200 0.028 0.000 2.047 298 E HA -0.083 4.284 4.350 0.028 0.000 0.191 298 E C 2.110 178.767 176.600 0.096 0.000 0.987 298 E CA 0.743 57.218 56.400 0.125 0.000 0.799 298 E CB -0.237 29.604 29.700 0.235 0.000 0.752 298 E HN 0.211 nan 8.360 nan 0.000 0.449 299 L N 1.002 122.108 121.223 -0.194 0.000 2.012 299 L HA -0.196 4.161 4.340 0.028 0.000 0.210 299 L C 2.264 178.919 176.870 -0.358 0.000 1.073 299 L CA 1.786 56.218 54.840 -0.680 0.000 0.748 299 L CB -0.442 41.095 42.059 -0.870 0.000 0.891 299 L HN 0.194 nan 8.230 nan 0.000 0.431 300 M N -1.390 118.035 119.600 -0.291 0.000 2.149 300 M HA -0.279 4.217 4.480 0.028 0.000 0.261 300 M C 2.300 178.544 176.300 -0.094 0.000 1.064 300 M CA 1.819 56.957 55.300 -0.270 0.000 1.102 300 M CB -0.111 32.384 32.600 -0.175 0.000 1.369 300 M HN 0.463 nan 8.290 nan 0.000 0.408 301 Q N -0.858 118.943 119.800 0.000 0.000 2.046 301 Q HA -0.203 4.154 4.340 0.028 0.000 0.200 301 Q C 1.882 177.945 176.000 0.104 0.000 0.975 301 Q CA 1.838 57.692 55.803 0.085 0.000 0.836 301 Q CB -0.236 28.570 28.738 0.114 0.000 0.896 301 Q HN 0.552 nan 8.270 nan 0.000 0.428 302 F N 1.036 120.993 119.950 0.013 0.000 2.126 302 F HA -0.200 4.343 4.527 0.028 0.000 0.299 302 F C 1.719 177.507 175.800 -0.019 0.000 1.096 302 F CA 1.237 59.282 58.000 0.074 0.000 1.255 302 F CB -0.006 39.142 39.000 0.248 0.000 0.997 302 F HN 0.004 nan 8.300 nan 0.000 0.479 303 L N -0.561 120.655 121.223 -0.013 0.000 2.376 303 L HA -0.086 4.271 4.340 0.028 0.000 0.219 303 L C 1.794 178.601 176.870 -0.106 0.000 1.133 303 L CA 1.484 56.267 54.840 -0.096 0.000 0.816 303 L CB -0.864 41.093 42.059 -0.169 0.000 0.933 303 L HN 0.302 nan 8.230 nan 0.000 0.449 304 T N -4.768 109.761 114.554 -0.043 0.000 3.084 304 T HA 0.126 4.492 4.350 0.028 0.000 0.270 304 T C 0.820 175.549 174.700 0.048 0.000 1.008 304 T CA -0.029 62.114 62.100 0.072 0.000 0.900 304 T CB -0.057 68.933 68.868 0.204 0.000 1.084 304 T HN 0.213 nan 8.240 nan 0.000 0.538 305 S N 1.239 116.854 115.700 -0.142 0.000 2.569 305 S HA 0.164 4.651 4.470 0.028 0.000 0.274 305 S C 1.350 175.803 174.600 -0.245 0.000 1.353 305 S CA -0.394 57.686 58.200 -0.201 0.000 1.023 305 S CB 1.305 64.335 63.200 -0.283 0.000 0.876 305 S HN 0.470 nan 8.310 nan 0.000 0.540 306 K N 1.073 121.346 120.400 -0.211 0.000 2.089 306 K HA -0.232 4.104 4.320 0.028 0.000 0.210 306 K C 1.712 178.198 176.600 -0.191 0.000 1.048 306 K CA 2.160 58.337 56.287 -0.183 0.000 0.926 306 K CB -0.332 32.078 32.500 -0.151 0.000 0.714 306 K HN 0.735 nan 8.250 nan 0.000 0.448 307 E N 0.049 120.118 120.200 -0.217 0.000 2.110 307 E HA -0.137 4.230 4.350 0.028 0.000 0.193 307 E C 1.776 178.087 176.600 -0.483 0.000 0.988 307 E CA 1.384 57.672 56.400 -0.187 0.000 0.804 307 E CB -0.204 29.462 29.700 -0.056 0.000 0.745 307 E HN 0.476 nan 8.360 nan 0.000 0.458 308 A N -0.013 122.225 122.820 -0.970 0.000 1.930 308 A HA -0.046 4.291 4.320 0.028 0.000 0.215 308 A C 1.835 179.009 177.584 -0.684 0.000 1.176 308 A CA 0.749 51.834 52.037 -1.587 0.000 0.632 308 A CB -0.197 17.894 19.000 -1.515 0.000 0.819 308 A HN 0.167 nan 8.150 nan 0.000 0.445 309 L N -0.671 120.340 121.223 -0.355 0.000 2.418 309 L HA 0.136 4.493 4.340 0.028 0.000 0.218 309 L C 2.692 179.545 176.870 -0.030 0.000 1.125 309 L CA 1.193 55.955 54.840 -0.129 0.000 0.835 309 L CB -0.905 41.119 42.059 -0.058 0.000 0.953 309 L HN 0.390 nan 8.230 nan 0.000 0.454 310 A N -1.386 121.403 122.820 -0.052 0.000 1.854 310 A HA -0.193 4.144 4.320 0.028 0.000 0.214 310 A C 2.565 180.241 177.584 0.154 0.000 1.192 310 A CA 1.758 53.824 52.037 0.050 0.000 0.611 310 A CB -0.837 18.180 19.000 0.029 0.000 0.832 310 A HN 0.380 nan 8.150 nan 0.000 0.442 311 S N -0.693 115.101 115.700 0.156 0.000 2.399 311 S HA -0.194 4.292 4.470 0.028 0.000 0.231 311 S C 2.181 176.915 174.600 0.223 0.000 1.022 311 S CA 1.523 59.888 58.200 0.275 0.000 0.983 311 S CB -0.386 63.172 63.200 0.597 0.000 0.803 311 S HN 0.578 nan 8.310 nan 0.000 0.480 312 R N -0.719 119.864 120.500 0.138 0.000 2.066 312 R HA -0.049 4.307 4.340 0.028 0.000 0.232 312 R C 2.164 178.532 176.300 0.113 0.000 1.131 312 R CA 1.665 57.833 56.100 0.114 0.000 0.955 312 R CB -0.620 29.711 30.300 0.051 0.000 0.851 312 R HN 0.551 nan 8.270 nan 0.000 0.432 313 F N 1.801 121.759 119.950 0.013 0.000 2.095 313 F HA -0.204 4.340 4.527 0.028 0.000 0.298 313 F C 1.780 177.595 175.800 0.025 0.000 1.104 313 F CA 1.759 59.765 58.000 0.010 0.000 1.232 313 F CB -0.076 38.926 39.000 0.003 0.000 0.987 313 F HN -0.096 nan 8.300 nan 0.000 0.475 314 K N -0.205 120.200 120.400 0.009 0.000 2.147 314 K HA -0.215 4.121 4.320 0.028 0.000 0.205 314 K C 2.119 178.650 176.600 -0.116 0.000 1.049 314 K CA 1.766 58.003 56.287 -0.084 0.000 0.936 314 K CB -0.250 32.317 32.500 0.112 0.000 0.722 314 K HN 0.480 nan 8.250 nan 0.000 0.446 315 E N -0.151 120.026 120.200 -0.038 0.000 2.127 315 E HA -0.086 4.280 4.350 0.028 0.000 0.191 315 E C 1.767 178.335 176.600 -0.055 0.000 0.964 315 E CA 1.273 57.665 56.400 -0.015 0.000 0.832 315 E CB 0.377 30.116 29.700 0.064 0.000 0.790 315 E HN 0.323 nan 8.360 nan 0.000 0.465 316 T N -3.690 110.822 114.554 -0.070 0.000 3.037 316 T HA 0.228 4.595 4.350 0.028 0.000 0.252 316 T C 1.555 176.168 174.700 -0.145 0.000 1.073 316 T CA 0.728 62.785 62.100 -0.070 0.000 1.091 316 T CB 0.608 69.462 68.868 -0.023 0.000 0.935 316 T HN 0.292 nan 8.240 nan 0.000 0.488 317 G N 1.507 110.134 108.800 -0.289 0.000 2.184 317 G HA2 -0.242 3.735 3.960 0.028 0.000 0.264 317 G HA3 -0.242 3.735 3.960 0.028 0.000 0.264 317 G C -0.181 174.600 174.900 -0.198 0.000 0.975 317 G CA 0.205 45.074 45.100 -0.385 0.000 0.642 317 G HN 0.666 nan 8.290 nan 0.000 0.536 318 E N 0.945 121.103 120.200 -0.071 0.000 2.223 318 E HA 0.323 4.690 4.350 0.028 0.000 0.282 318 E C 0.619 177.318 176.600 0.166 0.000 1.046 318 E CA -0.772 55.640 56.400 0.019 0.000 0.857 318 E CB 0.927 30.634 29.700 0.011 0.000 1.055 318 E HN 0.221 nan 8.360 nan 0.000 0.409 319 I N 5.913 126.573 120.570 0.150 0.000 2.578 319 I HA 0.046 4.233 4.170 0.028 0.000 0.286 319 I C -1.983 174.186 176.117 0.087 0.000 1.126 319 I CA -2.622 58.782 61.300 0.173 0.000 1.380 319 I CB -0.865 37.193 38.000 0.096 0.000 1.408 319 I HN 0.171 nan 8.210 nan 0.000 0.532 320 P HA 0.278 nan 4.420 nan 0.000 0.281 320 P C -2.547 174.771 177.300 0.031 0.000 1.252 320 P CA -1.844 61.281 63.100 0.042 0.000 0.778 320 P CB 0.461 32.182 31.700 0.035 0.000 0.895 321 P HA 0.167 nan 4.420 nan 0.000 0.214 321 P C -0.063 177.327 177.300 0.151 0.000 1.807 321 P CA 0.136 63.281 63.100 0.074 0.000 0.921 321 P CB 0.116 31.848 31.700 0.053 0.000 1.835 322 Q N 1.309 121.160 119.800 0.085 0.000 2.314 322 Q HA 0.193 4.550 4.340 0.028 0.000 0.259 322 Q C 0.881 176.841 176.000 -0.066 0.000 0.951 322 Q CA -0.335 55.468 55.803 0.001 0.000 0.909 322 Q CB 1.383 30.085 28.738 -0.059 0.000 1.236 322 Q HN 0.115 nan 8.270 nan 0.000 0.444 323 K N 2.354 122.700 120.400 -0.091 0.000 2.020 323 K HA -0.209 4.127 4.320 0.028 0.000 0.212 323 K C 1.450 177.999 176.600 -0.085 0.000 1.050 323 K CA 1.639 57.882 56.287 -0.074 0.000 0.929 323 K CB 0.262 32.717 32.500 -0.074 0.000 0.714 323 K HN 0.615 nan 8.250 nan 0.000 0.443 324 E N 0.267 120.402 120.200 -0.109 0.000 2.110 324 E HA -0.183 4.184 4.350 0.028 0.000 0.193 324 E C 1.929 178.471 176.600 -0.096 0.000 0.988 324 E CA 0.737 57.079 56.400 -0.097 0.000 0.804 324 E CB 0.069 29.706 29.700 -0.104 0.000 0.745 324 E HN 0.087 nan 8.360 nan 0.000 0.458 325 L N 0.548 121.704 121.223 -0.111 0.000 2.093 325 L HA -0.132 4.225 4.340 0.028 0.000 0.208 325 L C 2.194 178.977 176.870 -0.145 0.000 1.085 325 L CA 1.331 56.093 54.840 -0.130 0.000 0.755 325 L CB -0.646 41.331 42.059 -0.137 0.000 0.904 325 L HN 0.170 nan 8.230 nan 0.000 0.435 326 L N -0.849 120.306 121.223 -0.112 0.000 2.275 326 L HA -0.191 4.166 4.340 0.028 0.000 0.215 326 L C 2.183 179.005 176.870 -0.081 0.000 1.119 326 L CA 0.720 55.502 54.840 -0.097 0.000 0.790 326 L CB -0.450 41.575 42.059 -0.058 0.000 0.919 326 L HN 0.368 nan 8.230 nan 0.000 0.443 327 N N 0.278 118.934 118.700 -0.074 0.000 2.106 327 N HA -0.174 4.583 4.740 0.028 0.000 0.188 327 N C 0.623 176.099 175.510 -0.058 0.000 1.029 327 N CA 0.712 53.727 53.050 -0.058 0.000 0.848 327 N CB -0.162 38.293 38.487 -0.054 0.000 1.007 327 N HN 0.093 nan 8.380 nan 0.000 0.423 328 D N 0.183 120.540 120.400 -0.071 0.000 2.662 328 D HA -0.062 4.595 4.640 0.028 0.000 0.237 328 D C -1.686 174.579 176.300 -0.058 0.000 1.154 328 D CA -1.056 52.905 54.000 -0.065 0.000 0.861 328 D CB 0.873 41.624 40.800 -0.081 0.000 1.146 328 D HN 0.219 nan 8.370 nan 0.000 0.518 329 P HA -0.128 nan 4.420 nan 0.000 0.221 329 P C 1.498 178.787 177.300 -0.018 0.000 1.145 329 P CA 0.811 63.897 63.100 -0.024 0.000 0.795 329 P CB 0.038 31.730 31.700 -0.014 0.000 0.775 330 M N -1.974 117.615 119.600 -0.019 0.000 2.476 330 M HA -0.052 4.445 4.480 0.028 0.000 0.262 330 M C 1.046 177.339 176.300 -0.012 0.000 1.079 330 M CA 1.507 56.807 55.300 -0.001 0.000 1.104 330 M CB -0.124 32.482 32.600 0.011 0.000 1.409 330 M HN -0.106 nan 8.290 nan 0.000 0.467 331 I N -0.811 119.712 120.570 -0.080 0.000 3.300 331 I HA -0.066 4.121 4.170 0.028 0.000 0.279 331 I C 2.113 178.168 176.117 -0.103 0.000 1.172 331 I CA 0.632 61.827 61.300 -0.176 0.000 1.431 331 I CB -0.240 37.526 38.000 -0.391 0.000 1.240 331 I HN 0.086 nan 8.210 nan 0.000 0.453 332 K N 0.667 121.024 120.400 -0.073 0.000 2.097 332 K HA -0.090 4.247 4.320 0.028 0.000 0.205 332 K C 1.348 177.943 176.600 -0.008 0.000 1.050 332 K CA 1.349 57.613 56.287 -0.038 0.000 0.938 332 K CB 0.096 32.574 32.500 -0.035 0.000 0.718 332 K HN 0.223 nan 8.250 nan 0.000 0.442 333 N N 1.170 119.869 118.700 -0.003 0.000 2.236 333 N HA -0.066 4.691 4.740 0.028 0.000 0.196 333 N C -0.235 175.291 175.510 0.025 0.000 1.114 333 N CA -0.019 53.037 53.050 0.009 0.000 0.859 333 N CB -0.047 38.444 38.487 0.005 0.000 0.982 333 N HN 0.199 nan 8.380 nan 0.000 0.493 334 N N 3.168 121.893 118.700 0.043 0.000 2.294 334 N HA -0.058 4.698 4.740 0.028 0.000 0.263 334 N C -1.456 174.095 175.510 0.067 0.000 1.281 334 N CA -0.687 52.409 53.050 0.077 0.000 0.846 334 N CB 1.217 39.792 38.487 0.146 0.000 1.061 334 N HN 0.106 nan 8.380 nan 0.000 0.478 335 P HA -0.092 nan 4.420 nan 0.000 0.220 335 P C 1.030 178.331 177.300 0.001 0.000 1.148 335 P CA 0.751 63.859 63.100 0.014 0.000 0.803 335 P CB 0.373 32.077 31.700 0.005 0.000 0.782 336 V N -0.759 119.190 119.914 0.057 0.000 3.623 336 V HA -0.015 4.122 4.120 0.028 0.000 0.271 336 V C 2.163 178.407 176.094 0.250 0.000 1.248 336 V CA 0.815 63.174 62.300 0.097 0.000 1.156 336 V CB 0.048 31.937 31.823 0.110 0.000 0.870 336 V HN -0.040 nan 8.190 nan 0.000 0.453 337 V N -0.893 119.151 119.914 0.217 0.000 3.058 337 V HA 0.053 4.190 4.120 0.028 0.000 0.233 337 V C 2.066 178.268 176.094 0.179 0.000 1.255 337 V CA 1.037 63.524 62.300 0.312 0.000 1.267 337 V CB -0.228 31.751 31.823 0.260 0.000 1.049 337 V HN 0.519 nan 8.190 nan 0.000 0.486 338 N N 1.985 120.727 118.700 0.070 0.000 2.049 338 N HA -0.213 4.544 4.740 0.028 0.000 0.198 338 N C 1.788 177.284 175.510 -0.023 0.000 1.030 338 N CA 2.502 55.563 53.050 0.017 0.000 0.870 338 N CB -0.573 37.913 38.487 -0.002 0.000 1.045 338 N HN 0.421 nan 8.380 nan 0.000 0.434 339 G N -1.647 107.077 108.800 -0.127 0.000 2.408 339 G HA2 -0.164 3.813 3.960 0.028 0.000 0.217 339 G HA3 -0.164 3.813 3.960 0.028 0.000 0.217 339 G C 1.181 175.964 174.900 -0.195 0.000 1.150 339 G CA 0.655 45.627 45.100 -0.214 0.000 0.776 339 G HN 0.303 nan 8.290 nan 0.000 0.542 340 F N 1.821 121.754 119.950 -0.029 0.000 2.075 340 F HA 0.071 4.615 4.527 0.027 0.000 0.297 340 F C 3.064 178.853 175.800 -0.018 0.000 1.113 340 F CA 0.793 58.769 58.000 -0.039 0.000 1.218 340 F CB -0.879 38.096 39.000 -0.043 0.000 0.984 340 F HN 0.235 nan 8.300 nan 0.000 0.472 341 A N 0.038 122.972 122.820 0.191 0.000 1.883 341 A HA -0.195 4.142 4.320 0.028 0.000 0.217 341 A C 2.320 179.941 177.584 0.060 0.000 1.186 341 A CA 1.642 53.741 52.037 0.104 0.000 0.624 341 A CB -0.545 18.499 19.000 0.074 0.000 0.822 341 A HN 0.113 nan 8.150 nan 0.000 0.444 342 K N -0.532 119.887 120.400 0.033 0.000 2.057 342 K HA -0.173 4.164 4.320 0.028 0.000 0.207 342 K C 2.175 178.781 176.600 0.010 0.000 1.049 342 K CA 1.851 58.144 56.287 0.011 0.000 0.931 342 K CB -0.540 31.953 32.500 -0.011 0.000 0.714 342 K HN 0.616 nan 8.250 nan 0.000 0.440 343 Q N 0.768 120.573 119.800 0.008 0.000 2.046 343 Q HA 0.006 4.362 4.340 0.028 0.000 0.200 343 Q C 1.867 177.888 176.000 0.035 0.000 0.975 343 Q CA 1.968 57.772 55.803 0.001 0.000 0.836 343 Q CB -0.454 28.272 28.738 -0.020 0.000 0.896 343 Q HN 0.227 nan 8.270 nan 0.000 0.428 344 A N 0.123 122.984 122.820 0.067 0.000 1.948 344 A HA -0.221 4.116 4.320 0.028 0.000 0.220 344 A C 2.248 179.870 177.584 0.064 0.000 1.177 344 A CA 2.246 54.331 52.037 0.079 0.000 0.636 344 A CB -1.118 17.938 19.000 0.093 0.000 0.815 344 A HN 0.613 nan 8.150 nan 0.000 0.449 345 S N -1.100 114.629 115.700 0.048 0.000 2.481 345 S HA -0.023 4.464 4.470 0.028 0.000 0.231 345 S C 1.352 175.975 174.600 0.039 0.000 0.996 345 S CA 1.047 59.271 58.200 0.040 0.000 0.942 345 S CB -0.072 63.145 63.200 0.029 0.000 0.768 345 S HN 0.457 nan 8.310 nan 0.000 0.520 346 K N 1.348 121.769 120.400 0.037 0.000 2.372 346 K HA 0.315 4.652 4.320 0.028 0.000 0.200 346 K C 0.915 177.546 176.600 0.052 0.000 1.022 346 K CA 0.291 56.598 56.287 0.034 0.000 1.125 346 K CB 0.453 32.962 32.500 0.015 0.000 0.855 346 K HN 0.454 nan 8.250 nan 0.000 0.524 347 G N 1.022 109.864 108.800 0.070 0.000 2.488 347 G HA2 0.436 4.412 3.960 0.028 0.000 0.318 347 G HA3 0.436 4.412 3.960 0.028 0.000 0.318 347 G C -0.431 174.545 174.900 0.127 0.000 1.188 347 G CA -0.509 44.653 45.100 0.102 0.000 0.944 347 G HN -0.018 nan 8.290 nan 0.000 0.495 348 V N -1.531 118.488 119.914 0.174 0.000 2.513 348 V HA 0.687 4.824 4.120 0.028 0.000 0.299 348 V C -2.376 173.875 176.094 0.262 0.000 1.035 348 V CA -2.701 59.719 62.300 0.199 0.000 0.889 348 V CB 1.837 33.791 31.823 0.218 0.000 0.988 348 V HN 0.604 nan 8.190 nan 0.000 0.440 349 P HA 0.144 nan 4.420 nan 0.000 0.268 349 P C 0.057 177.565 177.300 0.347 0.000 1.204 349 P CA -0.088 63.175 63.100 0.272 0.000 0.768 349 P CB 0.565 32.356 31.700 0.152 0.000 0.842 350 M N 4.740 124.536 119.600 0.328 0.000 2.240 350 M HA 0.006 4.503 4.480 0.028 0.000 0.346 350 M C -1.821 174.562 176.300 0.139 0.000 1.236 350 M CA -0.636 54.650 55.300 -0.024 0.000 0.986 350 M CB -0.612 31.766 32.600 -0.370 0.000 1.786 350 M HN 0.218 nan 8.290 nan 0.000 0.457 351 P HA 0.019 nan 4.420 nan 0.000 0.269 351 P C -0.312 177.051 177.300 0.104 0.000 1.209 351 P CA -0.009 63.188 63.100 0.162 0.000 0.776 351 P CB 0.559 32.416 31.700 0.262 0.000 0.876 352 S N 0.823 116.600 115.700 0.128 0.000 2.730 352 S HA 0.193 4.680 4.470 0.028 0.000 0.244 352 S C 0.755 175.374 174.600 0.031 0.000 1.022 352 S CA -0.519 57.737 58.200 0.094 0.000 1.014 352 S CB -0.957 62.365 63.200 0.203 0.000 0.963 352 S HN 0.450 nan 8.310 nan 0.000 0.540 353 I N -1.293 119.291 120.570 0.023 0.000 2.938 353 I HA 0.368 4.554 4.170 0.028 0.000 0.285 353 I C -1.910 174.146 176.117 -0.102 0.000 1.182 353 I CA -2.027 59.266 61.300 -0.010 0.000 1.388 353 I CB 0.110 38.026 38.000 -0.141 0.000 1.390 353 I HN -0.195 nan 8.210 nan 0.000 0.600 354 P HA -0.192 nan 4.420 nan 0.000 0.218 354 P C 0.786 178.029 177.300 -0.095 0.000 1.148 354 P CA 1.384 64.405 63.100 -0.131 0.000 0.822 354 P CB -0.108 31.536 31.700 -0.094 0.000 0.784 355 E N -1.144 118.992 120.200 -0.106 0.000 2.476 355 E HA -0.002 4.364 4.350 0.028 0.000 0.191 355 E C 1.516 178.150 176.600 0.056 0.000 1.064 355 E CA 0.170 56.541 56.400 -0.049 0.000 0.866 355 E CB -0.695 28.965 29.700 -0.066 0.000 0.952 355 E HN 0.214 nan 8.360 nan 0.000 0.492 356 M N 1.816 121.432 119.600 0.028 0.000 2.296 356 M HA 0.080 4.577 4.480 0.028 0.000 0.265 356 M C 1.945 178.172 176.300 -0.122 0.000 1.064 356 M CA 1.595 56.916 55.300 0.034 0.000 1.109 356 M CB -0.592 32.016 32.600 0.013 0.000 1.396 356 M HN 0.143 nan 8.290 nan 0.000 0.430 357 G N -1.069 107.711 108.800 -0.032 0.000 2.422 357 G HA2 -0.125 3.852 3.960 0.028 0.000 0.218 357 G HA3 -0.125 3.852 3.960 0.028 0.000 0.218 357 G C 1.416 176.322 174.900 0.010 0.000 1.140 357 G CA 0.914 46.033 45.100 0.032 0.000 0.775 357 G HN 0.388 nan 8.290 nan 0.000 0.545 358 V N 0.436 120.336 119.914 -0.023 0.000 2.720 358 V HA -0.143 3.994 4.120 0.028 0.000 0.256 358 V C 2.917 178.971 176.094 -0.067 0.000 1.082 358 V CA 1.246 63.533 62.300 -0.021 0.000 1.101 358 V CB 0.074 31.897 31.823 0.001 0.000 0.693 358 V HN 0.273 nan 8.190 nan 0.000 0.479 359 V N -1.501 118.302 119.914 -0.185 0.000 2.407 359 V HA -0.201 3.936 4.120 0.028 0.000 0.245 359 V C 2.055 178.016 176.094 -0.221 0.000 1.041 359 V CA 1.739 63.850 62.300 -0.315 0.000 1.040 359 V CB -0.670 30.821 31.823 -0.553 0.000 0.671 359 V HN 0.621 nan 8.190 nan 0.000 0.455 360 W N 0.488 121.776 121.300 -0.020 0.000 2.333 360 W HA -0.185 4.490 4.660 0.025 0.000 0.316 360 W C 2.575 179.081 176.519 -0.021 0.000 1.215 360 W CA 1.614 58.959 57.345 -0.001 0.000 1.278 360 W CB -0.232 29.219 29.460 -0.014 0.000 1.154 360 W HN 0.205 nan 8.180 nan 0.000 0.486 361 E N -0.018 120.297 120.200 0.192 0.000 2.028 361 E HA -0.198 4.169 4.350 0.028 0.000 0.191 361 E C -0.420 176.211 176.600 0.052 0.000 0.988 361 E CA 1.506 57.962 56.400 0.093 0.000 0.799 361 E CB -1.116 28.618 29.700 0.057 0.000 0.755 361 E HN 0.009 nan 8.360 nan 0.000 0.447 362 P HA -0.177 nan 4.420 nan 0.000 0.214 362 P C 1.493 178.804 177.300 0.018 0.000 1.163 362 P CA 1.085 64.199 63.100 0.023 0.000 0.889 362 P CB -0.053 31.640 31.700 -0.012 0.000 0.790 363 I N -0.814 119.732 120.570 -0.040 0.000 2.394 363 I HA -0.202 3.985 4.170 0.028 0.000 0.251 363 I C 1.692 177.888 176.117 0.133 0.000 1.136 363 I CA 1.672 62.933 61.300 -0.064 0.000 1.425 363 I CB -0.785 36.958 38.000 -0.429 0.000 1.079 363 I HN -0.082 nan 8.210 nan 0.000 0.425 364 N N -0.158 118.608 118.700 0.110 0.000 2.250 364 N HA -0.117 4.640 4.740 0.028 0.000 0.181 364 N C 1.540 177.068 175.510 0.031 0.000 1.017 364 N CA 1.130 54.242 53.050 0.103 0.000 0.866 364 N CB -0.211 38.336 38.487 0.099 0.000 0.985 364 N HN 0.478 nan 8.380 nan 0.000 0.429 365 N N 1.186 119.854 118.700 -0.054 0.000 2.069 365 N HA -0.160 4.597 4.740 0.028 0.000 0.191 365 N C 1.905 177.214 175.510 -0.335 0.000 1.031 365 N CA 1.020 53.889 53.050 -0.301 0.000 0.852 365 N CB -0.124 38.236 38.487 -0.212 0.000 1.018 365 N HN 0.196 nan 8.380 nan 0.000 0.423 366 A N 0.958 123.808 122.820 0.050 0.000 1.948 366 A HA -0.230 4.107 4.320 0.028 0.000 0.220 366 A C 1.701 179.377 177.584 0.154 0.000 1.177 366 A CA 1.625 53.788 52.037 0.209 0.000 0.636 366 A CB -0.819 18.284 19.000 0.172 0.000 0.815 366 A HN 0.352 nan 8.150 nan 0.000 0.449 367 H N -0.857 118.249 119.070 0.060 0.000 2.326 367 H HA -0.046 4.536 4.556 0.042 0.000 0.301 367 H C 2.406 177.704 175.328 -0.050 0.000 1.081 367 H CA 2.052 58.158 56.048 0.097 0.000 1.334 367 H CB -0.405 29.462 29.762 0.176 0.000 1.385 367 H HN 0.444 nan 8.280 nan 0.000 0.504 368 T N 0.561 115.081 114.554 -0.057 0.000 2.708 368 T HA -0.145 4.222 4.350 0.028 0.000 0.266 368 T C 1.546 176.143 174.700 -0.171 0.000 1.037 368 T CA 1.363 63.334 62.100 -0.215 0.000 1.146 368 T CB -0.406 68.267 68.868 -0.326 0.000 0.865 368 T HN 0.142 nan 8.240 nan 0.000 0.435 369 F N 1.505 121.442 119.950 -0.021 0.000 2.126 369 F HA -0.108 4.428 4.527 0.016 0.000 0.299 369 F C 2.641 178.413 175.800 -0.047 0.000 1.096 369 F CA 0.651 58.634 58.000 -0.029 0.000 1.255 369 F CB -1.579 37.416 39.000 -0.008 0.000 0.997 369 F HN 0.086 nan 8.300 nan 0.000 0.479 370 V N -1.243 118.750 119.914 0.131 0.000 2.307 370 V HA -0.108 4.028 4.120 0.028 0.000 0.245 370 V C 2.431 178.511 176.094 -0.022 0.000 1.045 370 V CA 1.473 63.809 62.300 0.060 0.000 1.024 370 V CB -1.724 30.131 31.823 0.054 0.000 0.651 370 V HN 0.209 nan 8.190 nan 0.000 0.449 371 A N -0.492 122.211 122.820 -0.195 0.000 1.986 371 A HA -0.294 4.043 4.320 0.028 0.000 0.220 371 A C 2.326 179.708 177.584 -0.336 0.000 1.171 371 A CA 2.283 53.958 52.037 -0.604 0.000 0.640 371 A CB -0.682 17.455 19.000 -1.438 0.000 0.811 371 A HN 0.712 nan 8.150 nan 0.000 0.451 372 Q N -1.918 117.780 119.800 -0.170 0.000 2.424 372 Q HA 0.229 4.585 4.340 0.028 0.000 0.204 372 Q C 1.074 177.075 176.000 0.000 0.000 0.933 372 Q CA 0.604 56.367 55.803 -0.066 0.000 0.929 372 Q CB -0.008 28.722 28.738 -0.013 0.000 1.037 372 Q HN 0.879 nan 8.270 nan 0.000 0.511 373 G N 1.239 110.048 108.800 0.015 0.000 2.160 373 G HA2 -0.259 3.718 3.960 0.028 0.000 0.251 373 G HA3 -0.259 3.718 3.960 0.028 0.000 0.251 373 G C 0.783 175.705 174.900 0.037 0.000 1.008 373 G CA 0.590 45.711 45.100 0.034 0.000 0.724 373 G HN 0.168 nan 8.290 nan 0.000 0.514 374 K N -0.459 119.977 120.400 0.059 0.000 2.137 374 K HA 0.117 4.454 4.320 0.028 0.000 0.202 374 K C 1.313 177.911 176.600 -0.002 0.000 1.052 374 K CA 1.146 57.460 56.287 0.044 0.000 0.961 374 K CB 0.130 32.696 32.500 0.109 0.000 0.741 374 K HN 0.693 nan 8.250 nan 0.000 0.452 375 Q N 0.133 119.949 119.800 0.026 0.000 2.421 375 Q HA 0.197 4.554 4.340 0.028 0.000 0.280 375 Q C -0.654 175.363 176.000 0.028 0.000 1.085 375 Q CA -0.549 55.248 55.803 -0.010 0.000 0.807 375 Q CB 2.195 30.890 28.738 -0.072 0.000 1.405 375 Q HN 0.127 nan 8.270 nan 0.000 0.419 376 T N -2.137 112.424 114.554 0.011 0.000 2.860 376 T HA 0.155 4.521 4.350 0.028 0.000 0.299 376 T C -1.925 172.794 174.700 0.031 0.000 1.045 376 T CA -1.220 60.892 62.100 0.021 0.000 1.071 376 T CB 0.502 69.375 68.868 0.009 0.000 0.985 376 T HN 0.235 nan 8.240 nan 0.000 0.537 377 P HA -0.103 nan 4.420 nan 0.000 0.216 377 P C 1.487 178.808 177.300 0.036 0.000 1.150 377 P CA 1.119 64.241 63.100 0.036 0.000 0.843 377 P CB 0.095 31.808 31.700 0.021 0.000 0.787 378 E N -0.335 119.879 120.200 0.022 0.000 2.028 378 E HA -0.237 4.130 4.350 0.028 0.000 0.191 378 E C 2.189 178.797 176.600 0.013 0.000 0.988 378 E CA 1.391 57.801 56.400 0.017 0.000 0.799 378 E CB -0.771 28.934 29.700 0.008 0.000 0.755 378 E HN -0.041 nan 8.360 nan 0.000 0.447 379 Q N -0.066 119.738 119.800 0.005 0.000 2.119 379 Q HA 0.069 4.426 4.340 0.028 0.000 0.201 379 Q C 1.931 177.931 176.000 0.000 0.000 0.972 379 Q CA 1.819 57.617 55.803 -0.009 0.000 0.847 379 Q CB -0.588 28.133 28.738 -0.029 0.000 0.903 379 Q HN 0.350 nan 8.270 nan 0.000 0.433 380 A N 0.046 122.883 122.820 0.029 0.000 1.902 380 A HA -0.141 4.195 4.320 0.028 0.000 0.217 380 A C 2.064 179.695 177.584 0.078 0.000 1.181 380 A CA 1.399 53.487 52.037 0.085 0.000 0.623 380 A CB -0.715 18.371 19.000 0.144 0.000 0.818 380 A HN 0.439 nan 8.150 nan 0.000 0.443 381 L N -0.459 120.796 121.223 0.053 0.000 2.072 381 L HA -0.159 4.198 4.340 0.028 0.000 0.205 381 L C 2.313 179.189 176.870 0.010 0.000 1.079 381 L CA 1.074 55.934 54.840 0.033 0.000 0.752 381 L CB -0.652 41.434 42.059 0.046 0.000 0.906 381 L HN 0.390 nan 8.230 nan 0.000 0.436 382 N N 0.133 118.839 118.700 0.009 0.000 2.120 382 N HA -0.184 4.573 4.740 0.028 0.000 0.188 382 N C 1.414 176.923 175.510 -0.002 0.000 1.024 382 N CA 1.409 54.459 53.050 -0.000 0.000 0.852 382 N CB -0.340 38.145 38.487 -0.003 0.000 1.003 382 N HN 0.289 nan 8.380 nan 0.000 0.424 383 D N 1.079 121.480 120.400 0.002 0.000 2.104 383 D HA -0.069 4.587 4.640 0.028 0.000 0.194 383 D C 1.887 178.199 176.300 0.021 0.000 0.994 383 D CA 1.178 55.181 54.000 0.005 0.000 0.830 383 D CB -0.363 40.435 40.800 -0.003 0.000 0.959 383 D HN 0.222 nan 8.370 nan 0.000 0.452 384 A N 0.625 123.463 122.820 0.030 0.000 1.883 384 A HA -0.167 4.170 4.320 0.028 0.000 0.217 384 A C 2.477 180.048 177.584 -0.022 0.000 1.186 384 A CA 2.445 54.492 52.037 0.016 0.000 0.624 384 A CB -0.884 18.116 19.000 -0.000 0.000 0.822 384 A HN 0.244 nan 8.150 nan 0.000 0.444 385 V N -1.731 118.163 119.914 -0.033 0.000 2.591 385 V HA -0.125 4.012 4.120 0.028 0.000 0.249 385 V C 2.204 178.286 176.094 -0.020 0.000 1.053 385 V CA 2.255 64.528 62.300 -0.044 0.000 1.068 385 V CB -0.903 30.891 31.823 -0.049 0.000 0.689 385 V HN 0.571 nan 8.190 nan 0.000 0.462 386 K N 0.595 120.989 120.400 -0.010 0.000 2.057 386 K HA -0.107 4.230 4.320 0.028 0.000 0.207 386 K C 2.084 178.685 176.600 0.000 0.000 1.049 386 K CA 2.275 58.560 56.287 -0.003 0.000 0.931 386 K CB -0.345 32.154 32.500 -0.003 0.000 0.714 386 K HN 0.579 nan 8.250 nan 0.000 0.440 387 I N 0.726 121.297 120.570 0.003 0.000 2.252 387 I HA -0.278 3.909 4.170 0.028 0.000 0.245 387 I C 2.462 178.579 176.117 0.001 0.000 1.102 387 I CA 1.123 62.427 61.300 0.007 0.000 1.385 387 I CB -0.162 37.850 38.000 0.021 0.000 1.064 387 I HN 0.248 nan 8.210 nan 0.000 0.414 388 M N 0.300 119.894 119.600 -0.010 0.000 2.080 388 M HA -0.240 4.257 4.480 0.028 0.000 0.260 388 M C 2.294 178.598 176.300 0.006 0.000 1.068 388 M CA 1.953 57.245 55.300 -0.014 0.000 1.109 388 M CB -0.415 32.158 32.600 -0.044 0.000 1.342 388 M HN 0.088 nan 8.290 nan 0.000 0.405 389 K N 0.090 120.495 120.400 0.008 0.000 2.057 389 K HA -0.145 4.191 4.320 0.028 0.000 0.206 389 K C 1.839 178.446 176.600 0.012 0.000 1.050 389 K CA 1.336 57.634 56.287 0.017 0.000 0.935 389 K CB -0.220 32.289 32.500 0.015 0.000 0.715 389 K HN 0.395 nan 8.250 nan 0.000 0.439 390 E N 0.845 121.049 120.200 0.007 0.000 2.097 390 E HA -0.184 4.183 4.350 0.028 0.000 0.196 390 E C 1.906 178.509 176.600 0.005 0.000 1.000 390 E CA 1.180 57.584 56.400 0.006 0.000 0.804 390 E CB 0.148 29.851 29.700 0.005 0.000 0.740 390 E HN 0.120 nan 8.360 nan 0.000 0.454 391 K N 0.308 120.711 120.400 0.005 0.000 2.217 391 K HA -0.064 4.273 4.320 0.028 0.000 0.202 391 K C 1.969 178.570 176.600 0.002 0.000 1.051 391 K CA 0.447 56.735 56.287 0.003 0.000 0.952 391 K CB -0.025 32.476 32.500 0.002 0.000 0.736 391 K HN 0.181 nan 8.250 nan 0.000 0.453 392 I N 1.845 122.420 120.570 0.008 0.000 2.315 392 I HA -0.265 3.922 4.170 0.028 0.000 0.251 392 I C 2.108 178.225 176.117 0.000 0.000 1.125 392 I CA 1.414 62.718 61.300 0.006 0.000 1.392 392 I CB -0.964 37.046 38.000 0.015 0.000 1.065 392 I HN 0.175 nan 8.210 nan 0.000 0.424 393 Q N 0.107 119.908 119.800 0.002 0.000 2.083 393 Q HA -0.069 4.287 4.340 0.028 0.000 0.198 393 Q C 2.296 178.295 176.000 -0.002 0.000 0.969 393 Q CA 1.494 57.297 55.803 0.000 0.000 0.838 393 Q CB -0.875 27.864 28.738 0.002 0.000 0.900 393 Q HN 0.444 nan 8.270 nan 0.000 0.436 394 T N 1.677 116.230 114.554 -0.003 0.000 2.759 394 T HA -0.116 4.251 4.350 0.028 0.000 0.269 394 T C 1.968 176.664 174.700 -0.007 0.000 1.042 394 T CA 1.291 63.388 62.100 -0.005 0.000 1.140 394 T CB -0.153 68.712 68.868 -0.005 0.000 0.864 394 T HN 0.219 nan 8.240 nan 0.000 0.455 395 M N 0.197 119.792 119.600 -0.009 0.000 2.080 395 M HA -0.033 4.463 4.480 0.028 0.000 0.260 395 M C 1.294 177.589 176.300 -0.009 0.000 1.068 395 M CA 1.319 56.612 55.300 -0.013 0.000 1.109 395 M CB -0.325 32.264 32.600 -0.017 0.000 1.342 395 M HN 0.009 nan 8.290 nan 0.000 0.405 396 K N 0.276 120.672 120.400 -0.006 0.000 2.284 396 K HA 0.082 4.419 4.320 0.028 0.000 0.243 396 K C 0.198 176.797 176.600 -0.002 0.000 1.075 396 K CA 0.001 56.286 56.287 -0.003 0.000 0.868 396 K CB 0.255 32.753 32.500 -0.002 0.000 1.157 396 K HN 0.096 nan 8.250 nan 0.000 0.512 397 Q N 0.000 119.800 119.800 0.000 0.000 2.315 397 Q HA 0.000 4.357 4.340 0.028 0.000 0.214 397 Q CA 0.000 55.803 55.803 0.001 0.000 1.022 397 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 397 Q HN 0.000 nan 8.270 nan 0.000 0.481