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 1a2n_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERNGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGATIGAR PVDLHISGLE QLGATIKLEE GYVKASVDGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM CAATLAEGTT IIENAAREPE IVDTANFLIT DATA SEQUENCE LGAKISGQGT DRIVIEGVER LGGGVYRVLP DRIETGTFLV AAAISRGKII DATA SEQUENCE CRNAQPDTLD AVLAKLRDAG ADIEVGEDWI SLDMHGKRPK AVNVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GFITETVFEN RFMHVPELSR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.350 176.300 0.084 0.000 1.140 1 M CA 0.000 55.342 55.300 0.070 0.000 0.988 1 M CB 0.000 32.650 32.600 0.082 0.000 1.302 2 D N 3.743 124.195 120.400 0.087 0.000 2.488 2 D HA 0.238 4.878 4.640 0.000 0.000 0.238 2 D C -0.223 176.116 176.300 0.065 0.000 1.138 2 D CA 0.744 54.794 54.000 0.083 0.000 0.873 2 D CB 0.755 41.605 40.800 0.084 0.000 1.183 2 D HN 0.484 nan 8.370 nan 0.000 0.458 3 K N 1.043 121.494 120.400 0.085 0.000 2.221 3 K HA 0.477 4.797 4.320 0.000 0.000 0.243 3 K C -0.552 176.181 176.600 0.222 0.000 0.968 3 K CA -0.826 55.509 56.287 0.081 0.000 0.846 3 K CB 1.342 33.895 32.500 0.087 0.000 1.141 3 K HN 0.163 nan 8.250 nan 0.000 0.434 4 F N 1.578 121.537 119.950 0.015 0.000 2.408 4 F HA 0.347 4.874 4.527 0.000 0.000 0.344 4 F C 0.399 176.201 175.800 0.003 0.000 1.112 4 F CA -1.050 56.954 58.000 0.007 0.000 1.096 4 F CB 1.336 40.333 39.000 -0.005 0.000 1.129 4 F HN 0.333 nan 8.300 nan 0.000 0.486 5 R N 4.022 124.621 120.500 0.165 0.000 2.239 5 R HA 0.618 4.958 4.340 0.000 0.000 0.332 5 R C -1.863 174.436 176.300 -0.002 0.000 0.988 5 R CA -0.346 55.794 56.100 0.067 0.000 0.859 5 R CB 0.626 30.955 30.300 0.048 0.000 1.148 5 R HN 0.421 nan 8.270 nan 0.000 0.482 6 V N 3.465 123.385 119.914 0.010 0.000 2.483 6 V HA 0.403 4.523 4.120 0.000 0.000 0.295 6 V C -0.390 175.695 176.094 -0.015 0.000 1.035 6 V CA -0.974 61.312 62.300 -0.023 0.000 0.896 6 V CB 1.644 33.465 31.823 -0.003 0.000 0.986 6 V HN 0.676 nan 8.190 nan 0.000 0.447 7 Q N 3.003 122.788 119.800 -0.026 0.000 2.341 7 Q HA 0.655 4.995 4.340 0.000 0.000 0.268 7 Q C 0.070 176.059 176.000 -0.018 0.000 1.013 7 Q CA -0.141 55.651 55.803 -0.018 0.000 0.798 7 Q CB 2.368 31.095 28.738 -0.020 0.000 1.253 7 Q HN 0.977 nan 8.270 nan 0.000 0.457 8 G N 2.553 111.345 108.800 -0.014 0.000 3.108 8 G HA2 0.721 4.682 3.960 0.000 0.000 0.268 8 G HA3 0.721 4.682 3.960 0.000 0.000 0.268 8 G C -2.727 172.166 174.900 -0.012 0.000 1.361 8 G CA -1.443 43.648 45.100 -0.014 0.000 1.047 8 G HN 0.308 nan 8.290 nan 0.000 0.540 9 P HA 0.365 nan 4.420 nan 0.000 0.274 9 P C -0.632 176.660 177.300 -0.013 0.000 1.237 9 P CA 0.121 63.213 63.100 -0.013 0.000 0.793 9 P CB 1.803 33.495 31.700 -0.013 0.000 0.977 10 T N -0.066 114.480 114.554 -0.013 0.000 2.889 10 T HA 0.403 4.753 4.350 0.000 0.000 0.315 10 T C -1.560 173.135 174.700 -0.010 0.000 1.291 10 T CA -0.742 61.351 62.100 -0.013 0.000 1.028 10 T CB 1.212 70.071 68.868 -0.015 0.000 1.235 10 T HN 0.411 nan 8.240 nan 0.000 0.491 11 K N 4.015 124.410 120.400 -0.009 0.000 2.425 11 K HA 0.540 4.861 4.320 0.000 0.000 0.259 11 K C -0.665 175.934 176.600 -0.002 0.000 0.978 11 K CA -0.649 55.635 56.287 -0.006 0.000 0.883 11 K CB 0.511 33.006 32.500 -0.008 0.000 1.110 11 K HN 0.516 nan 8.250 nan 0.000 0.436 12 L N 5.688 126.916 121.223 0.008 0.000 2.454 12 L HA 0.129 4.469 4.340 0.000 0.000 0.284 12 L C -0.158 176.721 176.870 0.016 0.000 1.139 12 L CA 0.018 54.871 54.840 0.023 0.000 0.911 12 L CB -0.211 41.879 42.059 0.050 0.000 1.262 12 L HN 0.687 nan 8.230 nan 0.000 0.453 13 Q N 2.924 122.724 119.800 0.000 0.000 2.418 13 Q HA 0.878 5.218 4.340 0.000 0.000 0.282 13 Q C -0.455 175.530 176.000 -0.026 0.000 1.044 13 Q CA -0.133 55.663 55.803 -0.011 0.000 0.813 13 Q CB 2.722 31.450 28.738 -0.017 0.000 1.428 13 Q HN 0.501 nan 8.270 nan 0.000 0.402 14 G N 1.214 109.994 108.800 -0.034 0.000 2.295 14 G HA2 0.254 4.214 3.960 0.000 0.000 0.155 14 G HA3 0.254 4.214 3.960 0.000 0.000 0.155 14 G C -1.625 173.239 174.900 -0.059 0.000 1.307 14 G CA -0.038 45.033 45.100 -0.049 0.000 1.140 14 G HN 1.079 nan 8.290 nan 0.000 0.470 15 E N -1.848 118.304 120.200 -0.080 0.000 2.408 15 E HA 0.728 5.079 4.350 0.000 0.000 0.275 15 E C -1.700 174.810 176.600 -0.149 0.000 0.935 15 E CA -1.139 55.205 56.400 -0.093 0.000 0.775 15 E CB 2.885 32.539 29.700 -0.077 0.000 1.277 15 E HN 1.245 nan 8.360 nan 0.000 0.455 16 V N 1.283 121.093 119.914 -0.173 0.000 2.686 16 V HA 0.445 4.566 4.120 0.000 0.000 0.306 16 V C -1.148 174.855 176.094 -0.152 0.000 1.065 16 V CA -0.281 61.858 62.300 -0.270 0.000 0.894 16 V CB 2.335 33.775 31.823 -0.637 0.000 1.004 16 V HN 0.910 nan 8.190 nan 0.000 0.424 17 T N 7.610 122.097 114.554 -0.112 0.000 2.845 17 T HA 0.525 4.875 4.350 0.000 0.000 0.288 17 T C -0.112 174.584 174.700 -0.007 0.000 0.980 17 T CA -0.230 61.847 62.100 -0.038 0.000 1.071 17 T CB 0.769 69.626 68.868 -0.018 0.000 0.941 17 T HN 0.435 nan 8.240 nan 0.000 0.487 18 I N 2.859 123.452 120.570 0.039 0.000 2.365 18 I HA 0.241 4.411 4.170 0.000 0.000 0.291 18 I C 1.015 177.175 176.117 0.071 0.000 1.004 18 I CA -0.197 61.155 61.300 0.087 0.000 1.311 18 I CB 1.242 39.306 38.000 0.108 0.000 1.401 18 I HN 0.606 nan 8.210 nan 0.000 0.491 19 S N 3.790 119.543 115.700 0.088 0.000 2.655 19 S HA 0.477 4.947 4.470 0.000 0.000 0.265 19 S C 0.588 175.206 174.600 0.031 0.000 1.240 19 S CA -0.581 57.652 58.200 0.055 0.000 0.986 19 S CB 1.221 64.459 63.200 0.063 0.000 0.985 19 S HN 0.819 nan 8.310 nan 0.000 0.562 20 G N 0.035 108.842 108.800 0.011 0.000 2.527 20 G HA2 0.462 4.422 3.960 0.000 0.000 0.248 20 G HA3 0.462 4.422 3.960 0.000 0.000 0.248 20 G C -0.139 174.755 174.900 -0.009 0.000 1.231 20 G CA -0.460 44.638 45.100 -0.004 0.000 0.838 20 G HN 0.895 nan 8.290 nan 0.000 0.570 21 A N 1.370 124.183 122.820 -0.011 0.000 2.505 21 A HA 0.240 4.560 4.320 0.000 0.000 0.271 21 A C 1.692 179.262 177.584 -0.023 0.000 1.112 21 A CA 0.443 52.470 52.037 -0.018 0.000 0.781 21 A CB -0.003 18.989 19.000 -0.014 0.000 1.059 21 A HN 0.974 nan 8.150 nan 0.000 0.508 22 K N 2.754 123.134 120.400 -0.034 0.000 2.081 22 K HA -0.284 4.036 4.320 0.000 0.000 0.222 22 K C 0.869 177.481 176.600 0.020 0.000 1.055 22 K CA 2.605 58.879 56.287 -0.021 0.000 0.954 22 K CB -0.150 32.319 32.500 -0.052 0.000 0.732 22 K HN 0.737 nan 8.250 nan 0.000 0.458 23 N N -0.646 118.071 118.700 0.028 0.000 2.398 23 N HA 0.062 4.802 4.740 0.000 0.000 0.188 23 N C 0.819 176.342 175.510 0.022 0.000 1.122 23 N CA 0.791 53.887 53.050 0.077 0.000 0.866 23 N CB 0.584 39.127 38.487 0.093 0.000 0.970 23 N HN 0.391 nan 8.380 nan 0.000 0.462 24 A N 0.541 123.350 122.820 -0.018 0.000 1.901 24 A HA 0.347 4.667 4.320 0.000 0.000 0.210 24 A C 2.260 179.781 177.584 -0.104 0.000 1.208 24 A CA 0.971 52.970 52.037 -0.064 0.000 0.644 24 A CB -0.716 18.262 19.000 -0.037 0.000 0.863 24 A HN 0.178 nan 8.150 nan 0.000 0.454 25 A N 0.372 123.146 122.820 -0.076 0.000 1.884 25 A HA -0.201 4.120 4.320 0.000 0.000 0.219 25 A C 2.186 179.707 177.584 -0.106 0.000 1.197 25 A CA 1.874 53.849 52.037 -0.104 0.000 0.637 25 A CB -0.893 18.067 19.000 -0.067 0.000 0.827 25 A HN 0.476 nan 8.150 nan 0.000 0.450 26 L N -0.140 121.083 121.223 -0.001 0.000 1.994 26 L HA -0.128 4.212 4.340 0.000 0.000 0.208 26 L C -0.143 176.777 176.870 0.083 0.000 1.071 26 L CA 1.817 56.729 54.840 0.120 0.000 0.745 26 L CB -1.540 40.741 42.059 0.371 0.000 0.892 26 L HN 0.309 nan 8.230 nan 0.000 0.431 27 P HA -0.216 nan 4.420 nan 0.000 0.215 27 P C 1.830 178.957 177.300 -0.288 0.000 1.157 27 P CA 1.800 64.577 63.100 -0.538 0.000 0.874 27 P CB -0.091 31.124 31.700 -0.809 0.000 0.790 28 I N -1.238 119.136 120.570 -0.327 0.000 2.335 28 I HA -0.218 3.953 4.170 0.000 0.000 0.251 28 I C 2.289 178.162 176.117 -0.406 0.000 1.129 28 I CA 0.943 61.960 61.300 -0.472 0.000 1.402 28 I CB -0.662 36.922 38.000 -0.694 0.000 1.069 28 I HN -0.103 nan 8.210 nan 0.000 0.424 29 L N -0.094 120.920 121.223 -0.349 0.000 2.093 29 L HA -0.156 4.184 4.340 0.000 0.000 0.208 29 L C 2.313 178.965 176.870 -0.363 0.000 1.085 29 L CA 1.960 56.568 54.840 -0.388 0.000 0.755 29 L CB -1.249 40.496 42.059 -0.522 0.000 0.904 29 L HN 0.125 nan 8.230 nan 0.000 0.435 30 F N -0.215 119.743 119.950 0.014 0.000 2.163 30 F HA -0.070 4.457 4.527 0.000 0.000 0.297 30 F C 2.513 178.357 175.800 0.075 0.000 1.094 30 F CA 0.901 58.949 58.000 0.080 0.000 1.290 30 F CB -1.267 37.831 39.000 0.164 0.000 1.017 30 F HN 0.055 nan 8.300 nan 0.000 0.483 31 A N 0.441 123.371 122.820 0.184 0.000 1.997 31 A HA -0.208 4.112 4.320 0.000 0.000 0.221 31 A C 2.390 180.128 177.584 0.256 0.000 1.172 31 A CA 1.902 54.050 52.037 0.184 0.000 0.645 31 A CB -1.353 17.760 19.000 0.188 0.000 0.813 31 A HN 0.328 nan 8.150 nan 0.000 0.454 32 A N -0.511 122.474 122.820 0.275 0.000 2.131 32 A HA 0.003 4.323 4.320 0.000 0.000 0.220 32 A C 1.958 179.655 177.584 0.189 0.000 1.158 32 A CA 1.269 53.468 52.037 0.270 0.000 0.665 32 A CB -0.624 18.492 19.000 0.193 0.000 0.795 32 A HN 0.525 nan 8.150 nan 0.000 0.460 33 L N -0.984 120.363 121.223 0.206 0.000 2.261 33 L HA -0.182 4.159 4.340 0.000 0.000 0.216 33 L C 1.953 178.944 176.870 0.202 0.000 1.114 33 L CA 0.830 55.816 54.840 0.243 0.000 0.777 33 L CB -0.399 41.847 42.059 0.312 0.000 0.910 33 L HN 0.410 nan 8.230 nan 0.000 0.440 34 L N -0.633 120.662 121.223 0.121 0.000 2.554 34 L HA 0.117 4.457 4.340 0.000 0.000 0.226 34 L C 1.214 178.079 176.870 -0.009 0.000 1.137 34 L CA -0.365 54.487 54.840 0.019 0.000 0.863 34 L CB -0.360 41.693 42.059 -0.010 0.000 0.985 34 L HN 0.099 nan 8.230 nan 0.000 0.451 35 A N 0.281 123.123 122.820 0.036 0.000 2.328 35 A HA 0.287 4.607 4.320 0.000 0.000 0.284 35 A C 0.627 178.225 177.584 0.023 0.000 1.160 35 A CA -0.313 51.724 52.037 0.001 0.000 0.818 35 A CB 0.260 19.265 19.000 0.009 0.000 1.087 35 A HN 0.325 nan 8.150 nan 0.000 0.504 36 E N 1.131 121.327 120.200 -0.007 0.000 2.501 36 E HA 0.267 4.617 4.350 0.000 0.000 0.200 36 E C 0.623 177.233 176.600 0.016 0.000 1.016 36 E CA 0.538 56.945 56.400 0.012 0.000 0.921 36 E CB 0.538 30.233 29.700 -0.009 0.000 1.034 36 E HN 0.869 nan 8.360 nan 0.000 0.468 37 E N 1.687 121.894 120.200 0.011 0.000 2.320 37 E HA 0.427 4.777 4.350 0.000 0.000 0.264 37 E C -2.885 173.739 176.600 0.040 0.000 0.923 37 E CA -2.574 53.839 56.400 0.022 0.000 0.796 37 E CB 0.349 30.054 29.700 0.009 0.000 1.262 37 E HN -0.204 nan 8.360 nan 0.000 0.428 38 P HA 0.141 nan 4.420 nan 0.000 0.264 38 P C -0.756 176.603 177.300 0.098 0.000 1.179 38 P CA -0.068 63.078 63.100 0.077 0.000 0.763 38 P CB 0.653 32.397 31.700 0.073 0.000 0.806 39 V N 3.317 123.311 119.914 0.132 0.000 2.409 39 V HA 0.235 4.355 4.120 0.000 0.000 0.291 39 V C 0.193 176.389 176.094 0.170 0.000 1.020 39 V CA -0.407 61.995 62.300 0.170 0.000 0.848 39 V CB 1.412 33.378 31.823 0.237 0.000 0.990 39 V HN 0.493 nan 8.190 nan 0.000 0.430 40 E N 4.930 125.227 120.200 0.160 0.000 2.134 40 E HA 0.511 4.861 4.350 0.000 0.000 0.278 40 E C -1.155 175.470 176.600 0.042 0.000 0.959 40 E CA -0.584 55.844 56.400 0.047 0.000 0.783 40 E CB 1.101 30.842 29.700 0.067 0.000 1.095 40 E HN 0.634 nan 8.360 nan 0.000 0.399 41 I N 4.767 125.295 120.570 -0.070 0.000 2.330 41 I HA 0.163 4.333 4.170 0.000 0.000 0.286 41 I C 0.238 176.284 176.117 -0.118 0.000 1.025 41 I CA -0.483 60.774 61.300 -0.071 0.000 1.197 41 I CB 1.209 39.115 38.000 -0.157 0.000 1.358 41 I HN 0.396 nan 8.210 nan 0.000 0.467 42 Q N 3.677 123.432 119.800 -0.075 0.000 2.256 42 Q HA 0.276 4.616 4.340 0.000 0.000 0.232 42 Q C 0.413 176.369 176.000 -0.072 0.000 0.965 42 Q CA -0.699 55.055 55.803 -0.082 0.000 0.908 42 Q CB 0.567 29.265 28.738 -0.067 0.000 1.209 42 Q HN 0.565 nan 8.270 nan 0.000 0.489 43 N N -0.566 118.099 118.700 -0.059 0.000 2.740 43 N HA -0.161 4.579 4.740 0.000 0.000 0.248 43 N C -1.718 173.766 175.510 -0.044 0.000 1.062 43 N CA 0.247 53.270 53.050 -0.044 0.000 0.704 43 N CB -0.902 37.558 38.487 -0.045 0.000 0.968 43 N HN 0.305 nan 8.380 nan 0.000 0.547 44 V N 1.629 121.511 119.914 -0.054 0.000 2.432 44 V HA 0.410 4.530 4.120 0.000 0.000 0.275 44 V C -1.271 174.804 176.094 -0.032 0.000 1.043 44 V CA -1.119 61.148 62.300 -0.055 0.000 0.925 44 V CB 1.261 33.037 31.823 -0.077 0.000 0.985 44 V HN 0.200 nan 8.190 nan 0.000 0.466 45 P HA 0.140 nan 4.420 nan 0.000 0.272 45 P C -0.788 176.512 177.300 -0.001 0.000 1.254 45 P CA -0.432 62.666 63.100 -0.002 0.000 0.795 45 P CB 0.857 32.556 31.700 -0.001 0.000 1.022 46 K N 1.344 121.754 120.400 0.018 0.000 2.291 46 K HA 0.419 4.740 4.320 0.000 0.000 0.242 46 K C -0.358 176.262 176.600 0.032 0.000 1.098 46 K CA -0.227 56.073 56.287 0.022 0.000 1.036 46 K CB -0.048 32.470 32.500 0.030 0.000 1.655 46 K HN 0.378 nan 8.250 nan 0.000 0.432 47 L N 1.685 122.921 121.223 0.022 0.000 2.342 47 L HA 0.315 4.655 4.340 0.000 0.000 0.271 47 L C 1.385 178.273 176.870 0.031 0.000 1.008 47 L CA -0.958 53.901 54.840 0.031 0.000 0.818 47 L CB 1.481 43.550 42.059 0.017 0.000 1.296 47 L HN 0.270 nan 8.230 nan 0.000 0.427 48 K N 1.474 121.899 120.400 0.042 0.000 2.030 48 K HA -0.271 4.049 4.320 0.000 0.000 0.222 48 K C 1.260 177.879 176.600 0.032 0.000 1.056 48 K CA 2.397 58.706 56.287 0.036 0.000 0.957 48 K CB -0.168 32.361 32.500 0.048 0.000 0.727 48 K HN 0.666 nan 8.250 nan 0.000 0.452 49 D N -0.463 119.963 120.400 0.043 0.000 2.149 49 D HA -0.126 4.514 4.640 0.000 0.000 0.198 49 D C 1.972 178.303 176.300 0.050 0.000 0.990 49 D CA 1.318 55.354 54.000 0.060 0.000 0.839 49 D CB -0.262 40.587 40.800 0.082 0.000 0.948 49 D HN 0.109 nan 8.370 nan 0.000 0.460 50 V N 0.785 120.712 119.914 0.022 0.000 2.332 50 V HA -0.274 3.846 4.120 0.000 0.000 0.248 50 V C 2.091 178.174 176.094 -0.020 0.000 1.055 50 V CA 1.999 64.290 62.300 -0.015 0.000 1.038 50 V CB -0.464 31.343 31.823 -0.026 0.000 0.651 50 V HN 0.123 nan 8.190 nan 0.000 0.450 51 D N -0.424 119.975 120.400 -0.002 0.000 2.097 51 D HA -0.169 4.471 4.640 0.000 0.000 0.195 51 D C 2.195 178.496 176.300 0.002 0.000 0.989 51 D CA 1.889 55.888 54.000 -0.003 0.000 0.827 51 D CB -0.120 40.682 40.800 0.004 0.000 0.966 51 D HN 0.446 nan 8.370 nan 0.000 0.456 52 T N -0.786 113.778 114.554 0.016 0.000 2.635 52 T HA -0.203 4.147 4.350 0.000 0.000 0.267 52 T C 2.129 176.863 174.700 0.056 0.000 1.040 52 T CA 1.642 63.760 62.100 0.031 0.000 1.156 52 T CB -0.640 68.254 68.868 0.044 0.000 0.863 52 T HN 0.045 nan 8.240 nan 0.000 0.430 53 S N 1.268 117.008 115.700 0.067 0.000 2.387 53 S HA -0.098 4.372 4.470 0.000 0.000 0.230 53 S C 2.093 176.645 174.600 -0.081 0.000 1.035 53 S CA 1.366 59.566 58.200 -0.000 0.000 1.014 53 S CB -0.434 62.635 63.200 -0.219 0.000 0.836 53 S HN 0.461 nan 8.310 nan 0.000 0.466 54 M N 0.742 120.303 119.600 -0.065 0.000 2.236 54 M HA -0.034 4.447 4.480 0.000 0.000 0.266 54 M C 2.085 178.375 176.300 -0.017 0.000 1.070 54 M CA 1.089 56.357 55.300 -0.053 0.000 1.137 54 M CB -0.408 32.166 32.600 -0.043 0.000 1.378 54 M HN 0.170 nan 8.290 nan 0.000 0.426 55 K N 0.795 121.192 120.400 -0.005 0.000 2.074 55 K HA -0.184 4.137 4.320 0.000 0.000 0.209 55 K C 1.978 178.587 176.600 0.015 0.000 1.048 55 K CA 1.352 57.640 56.287 0.001 0.000 0.926 55 K CB -0.445 32.052 32.500 -0.005 0.000 0.713 55 K HN 0.288 nan 8.250 nan 0.000 0.444 56 L N 0.884 122.134 121.223 0.046 0.000 2.027 56 L HA -0.196 4.144 4.340 0.000 0.000 0.206 56 L C 2.137 179.058 176.870 0.085 0.000 1.074 56 L CA 0.907 55.797 54.840 0.084 0.000 0.745 56 L CB -0.231 41.933 42.059 0.175 0.000 0.898 56 L HN 0.074 nan 8.230 nan 0.000 0.433 57 L N -0.053 121.214 121.223 0.074 0.000 2.064 57 L HA -0.297 4.043 4.340 0.000 0.000 0.216 57 L C 2.900 179.794 176.870 0.039 0.000 1.077 57 L CA 2.325 57.199 54.840 0.057 0.000 0.766 57 L CB -1.126 40.928 42.059 -0.008 0.000 0.890 57 L HN 0.611 nan 8.230 nan 0.000 0.435 58 S N -2.537 113.175 115.700 0.019 0.000 2.470 58 S HA -0.150 4.320 4.470 0.000 0.000 0.225 58 S C 1.891 176.486 174.600 -0.008 0.000 1.006 58 S CA 0.595 58.798 58.200 0.006 0.000 0.934 58 S CB -0.230 62.971 63.200 0.002 0.000 0.778 58 S HN 0.463 nan 8.310 nan 0.000 0.517 59 Q N 0.704 120.501 119.800 -0.004 0.000 2.291 59 Q HA 0.235 4.575 4.340 0.000 0.000 0.205 59 Q C 1.627 177.601 176.000 -0.043 0.000 0.970 59 Q CA 0.998 56.788 55.803 -0.021 0.000 0.876 59 Q CB -0.374 28.355 28.738 -0.015 0.000 0.935 59 Q HN 0.648 nan 8.270 nan 0.000 0.455 60 L N -1.920 119.287 121.223 -0.026 0.000 2.591 60 L HA 0.241 4.581 4.340 0.000 0.000 0.228 60 L C 1.084 177.887 176.870 -0.111 0.000 1.133 60 L CA 0.465 55.258 54.840 -0.078 0.000 0.880 60 L CB 0.140 42.195 42.059 -0.007 0.000 1.033 60 L HN 0.385 nan 8.230 nan 0.000 0.450 61 G N -0.101 108.664 108.800 -0.059 0.000 2.148 61 G HA2 -0.171 3.789 3.960 0.000 0.000 0.203 61 G HA3 -0.171 3.789 3.960 0.000 0.000 0.203 61 G C 0.258 175.155 174.900 -0.004 0.000 0.993 61 G CA -0.142 44.927 45.100 -0.052 0.000 0.661 61 G HN 0.450 nan 8.290 nan 0.000 0.518 62 A N -0.447 122.386 122.820 0.021 0.000 2.304 62 A HA 0.798 5.118 4.320 0.000 0.000 0.271 62 A C 0.284 177.887 177.584 0.032 0.000 1.091 62 A CA 0.007 52.072 52.037 0.046 0.000 0.812 62 A CB 0.641 19.683 19.000 0.069 0.000 1.056 62 A HN 0.304 nan 8.150 nan 0.000 0.489 63 K N 0.261 120.685 120.400 0.040 0.000 2.240 63 K HA 0.580 4.901 4.320 0.000 0.000 0.271 63 K C -1.352 175.275 176.600 0.044 0.000 1.018 63 K CA 0.055 56.361 56.287 0.033 0.000 0.874 63 K CB 1.547 34.066 32.500 0.032 0.000 1.098 63 K HN 0.350 nan 8.250 nan 0.000 0.458 64 V N 3.670 123.606 119.914 0.037 0.000 2.686 64 V HA 0.432 4.552 4.120 0.000 0.000 0.306 64 V C -0.994 175.129 176.094 0.049 0.000 1.065 64 V CA -0.698 61.630 62.300 0.045 0.000 0.894 64 V CB 1.890 33.725 31.823 0.021 0.000 1.004 64 V HN 0.908 nan 8.190 nan 0.000 0.424 65 E N 5.335 125.586 120.200 0.085 0.000 2.433 65 E HA 0.866 5.216 4.350 0.000 0.000 0.278 65 E C -1.021 175.655 176.600 0.126 0.000 0.976 65 E CA -1.170 55.282 56.400 0.086 0.000 0.793 65 E CB 3.009 32.755 29.700 0.076 0.000 1.311 65 E HN 0.695 nan 8.360 nan 0.000 0.460 66 R N 0.921 121.476 120.500 0.092 0.000 3.015 66 R HA 0.614 4.954 4.340 0.000 0.000 0.258 66 R C -0.562 175.777 176.300 0.065 0.000 1.172 66 R CA -0.644 55.501 56.100 0.075 0.000 1.003 66 R CB 1.230 31.536 30.300 0.009 0.000 1.326 66 R HN 0.761 nan 8.270 nan 0.000 0.449 67 N N -2.861 115.856 118.700 0.029 0.000 2.614 67 N HA 0.006 4.746 4.740 0.000 0.000 0.391 67 N C 0.876 176.391 175.510 0.009 0.000 0.680 67 N CA 0.017 53.084 53.050 0.028 0.000 1.959 67 N CB -0.522 37.987 38.487 0.037 0.000 0.742 67 N HN 0.542 nan 8.380 nan 0.000 1.986 68 G N 0.562 109.367 108.800 0.008 0.000 2.453 68 G HA2 0.137 4.097 3.960 0.000 0.000 0.215 68 G HA3 0.137 4.097 3.960 0.000 0.000 0.215 68 G C 0.095 174.969 174.900 -0.044 0.000 1.147 68 G CA 0.726 45.819 45.100 -0.011 0.000 0.802 68 G HN 0.298 nan 8.290 nan 0.000 0.535 69 S N -0.575 115.078 115.700 -0.077 0.000 2.549 69 S HA 0.588 5.058 4.470 0.000 0.000 0.297 69 S C -0.503 173.964 174.600 -0.222 0.000 1.115 69 S CA -0.616 57.479 58.200 -0.175 0.000 1.059 69 S CB 2.557 65.578 63.200 -0.299 0.000 1.046 69 S HN 0.008 nan 8.310 nan 0.000 0.506 70 V N 3.352 123.132 119.914 -0.223 0.000 2.439 70 V HA 0.269 4.389 4.120 0.000 0.000 0.282 70 V C -0.176 175.735 176.094 -0.306 0.000 1.039 70 V CA -0.600 61.584 62.300 -0.192 0.000 0.913 70 V CB 0.619 32.371 31.823 -0.119 0.000 0.983 70 V HN 0.797 nan 8.190 nan 0.000 0.460 71 H N 5.537 124.608 119.070 0.002 0.000 2.594 71 H HA 0.491 5.047 4.556 0.001 0.000 0.304 71 H C -0.532 174.805 175.328 0.016 0.000 1.068 71 H CA -0.165 55.892 56.048 0.016 0.000 1.308 71 H CB 1.338 31.110 29.762 0.017 0.000 1.409 71 H HN 0.471 nan 8.280 nan 0.000 0.460 72 I N 3.188 123.838 120.570 0.133 0.000 2.411 72 I HA 0.024 4.194 4.170 0.000 0.000 0.284 72 I C -0.103 176.078 176.117 0.107 0.000 1.012 72 I CA -0.618 60.742 61.300 0.099 0.000 1.119 72 I CB 1.532 39.570 38.000 0.064 0.000 1.261 72 I HN 0.419 nan 8.210 nan 0.000 0.448 73 D N 5.567 126.022 120.400 0.091 0.000 2.396 73 D HA 0.450 5.090 4.640 0.000 0.000 0.225 73 D C 0.470 176.819 176.300 0.082 0.000 1.121 73 D CA -0.198 53.850 54.000 0.080 0.000 0.853 73 D CB 1.677 42.515 40.800 0.062 0.000 1.043 73 D HN 0.618 nan 8.370 nan 0.000 0.500 74 A N 4.306 127.185 122.820 0.098 0.000 2.465 74 A HA 0.145 4.465 4.320 0.000 0.000 0.255 74 A C 1.868 179.542 177.584 0.150 0.000 1.274 74 A CA -0.207 51.906 52.037 0.126 0.000 0.920 74 A CB 0.005 19.094 19.000 0.148 0.000 1.033 74 A HN 0.561 nan 8.150 nan 0.000 0.516 75 R N 0.461 121.029 120.500 0.113 0.000 2.127 75 R HA -0.094 4.246 4.340 0.000 0.000 0.238 75 R C 0.012 176.398 176.300 0.144 0.000 1.134 75 R CA 1.480 57.652 56.100 0.119 0.000 0.975 75 R CB 0.018 30.366 30.300 0.079 0.000 0.865 75 R HN 0.368 nan 8.270 nan 0.000 0.447 76 D N 0.263 120.728 120.400 0.108 0.000 2.525 76 D HA 0.069 4.709 4.640 0.000 0.000 0.229 76 D C -0.450 175.882 176.300 0.054 0.000 1.202 76 D CA -0.055 53.997 54.000 0.088 0.000 0.828 76 D CB 0.504 41.330 40.800 0.044 0.000 1.008 76 D HN -0.117 nan 8.370 nan 0.000 0.493 77 V N 2.729 122.703 119.914 0.100 0.000 2.644 77 V HA -0.165 3.955 4.120 0.000 0.000 0.303 77 V C 1.212 177.173 176.094 -0.221 0.000 1.058 77 V CA 0.900 63.188 62.300 -0.019 0.000 1.228 77 V CB -0.187 31.706 31.823 0.117 0.000 0.861 77 V HN 0.364 nan 8.190 nan 0.000 0.484 78 N N 2.918 121.377 118.700 -0.402 0.000 2.266 78 N HA 0.098 4.838 4.740 0.000 0.000 0.217 78 N C -0.242 174.550 175.510 -1.195 0.000 1.211 78 N CA -0.220 52.426 53.050 -0.673 0.000 0.881 78 N CB 0.300 38.587 38.487 -0.332 0.000 1.153 78 N HN 0.395 nan 8.380 nan 0.000 0.489 79 V N 0.900 120.329 119.914 -0.808 0.000 2.732 79 V HA 0.263 4.383 4.120 0.000 0.000 0.297 79 V C -0.124 175.444 176.094 -0.877 0.000 1.060 79 V CA -0.182 61.638 62.300 -0.800 0.000 1.038 79 V CB 0.789 32.404 31.823 -0.347 0.000 1.003 79 V HN 0.093 nan 8.190 nan 0.000 0.481 80 F N 0.669 120.530 119.950 -0.148 0.000 2.746 80 F HA 0.336 4.862 4.527 -0.000 0.000 0.320 80 F C 0.640 176.404 175.800 -0.061 0.000 1.097 80 F CA -0.695 57.228 58.000 -0.128 0.000 1.195 80 F CB 0.137 39.056 39.000 -0.135 0.000 1.056 80 F HN 0.469 nan 8.300 nan 0.000 0.562 81 C N 2.152 121.478 119.300 0.044 0.000 2.322 81 C HA 0.857 5.318 4.460 0.000 0.000 0.324 81 C C 0.506 175.521 174.990 0.041 0.000 1.284 81 C CA -0.742 58.284 59.018 0.013 0.000 1.606 81 C CB -0.693 27.006 27.740 -0.069 0.000 2.251 81 C HN 0.379 nan 8.230 nan 0.000 0.502 82 A N 8.615 131.496 122.820 0.102 0.000 2.409 82 A HA 0.625 4.945 4.320 0.000 0.000 0.262 82 A C -2.221 175.474 177.584 0.185 0.000 1.113 82 A CA -0.932 51.179 52.037 0.124 0.000 0.790 82 A CB 0.048 19.124 19.000 0.126 0.000 1.046 82 A HN 0.827 nan 8.150 nan 0.000 0.496 83 P HA 0.021 nan 4.420 nan 0.000 0.271 83 P C 0.339 177.644 177.300 0.008 0.000 1.226 83 P CA -0.011 63.142 63.100 0.089 0.000 0.765 83 P CB 0.252 31.912 31.700 -0.068 0.000 0.835 84 Y N 3.644 124.006 120.300 0.103 0.000 2.172 84 Y HA -0.354 4.196 4.550 0.000 0.000 0.280 84 Y C 1.475 177.366 175.900 -0.015 0.000 1.209 84 Y CA 2.214 60.307 58.100 -0.012 0.000 1.171 84 Y CB -2.382 36.039 38.460 -0.065 0.000 0.965 84 Y HN 0.355 nan 8.280 nan 0.000 0.520 85 D N 0.250 120.029 120.400 -1.034 0.000 2.219 85 D HA -0.158 4.482 4.640 0.000 0.000 0.205 85 D C 1.664 177.812 176.300 -0.254 0.000 0.970 85 D CA 1.647 55.278 54.000 -0.615 0.000 0.851 85 D CB -0.630 39.712 40.800 -0.763 0.000 0.943 85 D HN 0.510 nan 8.370 nan 0.000 0.488 86 L N 0.239 121.343 121.223 -0.198 0.000 2.127 86 L HA 0.009 4.349 4.340 0.000 0.000 0.203 86 L C 2.329 179.178 176.870 -0.036 0.000 1.080 86 L CA 0.324 55.117 54.840 -0.079 0.000 0.768 86 L CB -0.277 41.761 42.059 -0.036 0.000 0.924 86 L HN 0.015 nan 8.230 nan 0.000 0.444 87 V N 1.189 121.083 119.914 -0.032 0.000 2.913 87 V HA -0.229 3.892 4.120 0.000 0.000 0.260 87 V C 2.405 178.479 176.094 -0.034 0.000 1.098 87 V CA 1.786 64.077 62.300 -0.016 0.000 1.121 87 V CB -0.829 30.996 31.823 0.004 0.000 0.714 87 V HN 0.588 nan 8.190 nan 0.000 0.487 88 K N 0.677 121.057 120.400 -0.032 0.000 2.305 88 K HA -0.068 4.252 4.320 0.000 0.000 0.199 88 K C 2.022 178.600 176.600 -0.037 0.000 1.047 88 K CA 1.279 57.547 56.287 -0.032 0.000 0.976 88 K CB -0.548 31.949 32.500 -0.006 0.000 0.765 88 K HN 0.483 nan 8.250 nan 0.000 0.474 89 T N 0.458 114.989 114.554 -0.038 0.000 2.915 89 T HA -0.063 4.288 4.350 0.000 0.000 0.269 89 T C 0.903 175.590 174.700 -0.021 0.000 1.071 89 T CA 0.446 62.523 62.100 -0.038 0.000 1.132 89 T CB -0.408 68.433 68.868 -0.043 0.000 0.878 89 T HN 0.429 nan 8.240 nan 0.000 0.479 90 M N -0.644 118.946 119.600 -0.016 0.000 2.204 90 M HA 0.582 5.062 4.480 0.000 0.000 0.293 90 M C 0.703 176.963 176.300 -0.067 0.000 0.994 90 M CA -1.107 54.185 55.300 -0.012 0.000 0.925 90 M CB 2.243 34.871 32.600 0.047 0.000 1.577 90 M HN -0.324 nan 8.290 nan 0.000 0.439 91 R N 2.749 123.190 120.500 -0.099 0.000 2.303 91 R HA -0.045 4.295 4.340 0.000 0.000 0.225 91 R C 1.121 177.227 176.300 -0.323 0.000 1.114 91 R CA 1.811 57.797 56.100 -0.191 0.000 1.007 91 R CB -0.222 29.983 30.300 -0.158 0.000 0.861 91 R HN 0.987 nan 8.270 nan 0.000 0.471 92 A N 0.102 122.790 122.820 -0.219 0.000 2.208 92 A HA -0.029 4.291 4.320 0.000 0.000 0.209 92 A C 1.855 179.201 177.584 -0.397 0.000 1.161 92 A CA 0.825 52.693 52.037 -0.282 0.000 0.782 92 A CB -0.185 18.954 19.000 0.232 0.000 0.816 92 A HN 0.474 nan 8.150 nan 0.000 0.477 93 S N -0.371 115.118 115.700 -0.352 0.000 2.555 93 S HA -0.048 4.422 4.470 0.000 0.000 0.230 93 S C 1.505 175.815 174.600 -0.484 0.000 0.978 93 S CA 0.834 58.724 58.200 -0.516 0.000 0.934 93 S CB -0.544 62.567 63.200 -0.147 0.000 0.766 93 S HN 0.399 nan 8.310 nan 0.000 0.533 94 I N 0.537 120.832 120.570 -0.457 0.000 2.756 94 I HA 0.067 4.237 4.170 0.000 0.000 0.262 94 I C 1.165 177.149 176.117 -0.221 0.000 1.225 94 I CA 0.598 61.676 61.300 -0.370 0.000 1.472 94 I CB -0.439 37.241 38.000 -0.534 0.000 1.094 94 I HN 0.367 nan 8.210 nan 0.000 0.454 95 W N 0.267 121.333 121.300 -0.390 0.000 3.180 95 W HA 0.295 4.955 4.660 0.000 0.000 0.254 95 W C 2.192 178.562 176.519 -0.248 0.000 1.318 95 W CA 0.422 57.613 57.345 -0.257 0.000 1.608 95 W CB -1.025 28.314 29.460 -0.201 0.000 1.124 95 W HN 0.269 nan 8.180 nan 0.000 0.694 96 A N -0.103 122.608 122.820 -0.181 0.000 2.016 96 A HA -0.089 4.231 4.320 0.000 0.000 0.217 96 A C 1.969 179.640 177.584 0.144 0.000 1.162 96 A CA 0.756 52.845 52.037 0.088 0.000 0.662 96 A CB -0.553 18.507 19.000 0.100 0.000 0.812 96 A HN 0.127 nan 8.150 nan 0.000 0.450 97 L N 0.200 121.477 121.223 0.089 0.000 1.990 97 L HA -0.156 4.185 4.340 0.000 0.000 0.213 97 L C 2.486 179.434 176.870 0.129 0.000 1.072 97 L CA 2.419 57.322 54.840 0.105 0.000 0.755 97 L CB -0.891 41.212 42.059 0.075 0.000 0.889 97 L HN 0.339 nan 8.230 nan 0.000 0.432 98 G N -1.467 107.424 108.800 0.151 0.000 2.408 98 G HA2 -0.146 3.814 3.960 0.000 0.000 0.217 98 G HA3 -0.146 3.814 3.960 0.000 0.000 0.217 98 G C -0.711 174.258 174.900 0.114 0.000 1.150 98 G CA 0.714 45.892 45.100 0.130 0.000 0.776 98 G HN 0.364 nan 8.290 nan 0.000 0.542 99 P HA -0.080 nan 4.420 nan 0.000 0.215 99 P C 2.027 179.439 177.300 0.188 0.000 1.157 99 P CA 0.810 64.001 63.100 0.151 0.000 0.868 99 P CB -0.120 31.706 31.700 0.210 0.000 0.788 100 L N -1.373 120.003 121.223 0.256 0.000 2.083 100 L HA -0.138 4.202 4.340 0.000 0.000 0.209 100 L C 2.315 179.289 176.870 0.172 0.000 1.083 100 L CA 1.223 56.266 54.840 0.338 0.000 0.752 100 L CB -1.134 41.098 42.059 0.288 0.000 0.899 100 L HN -0.122 nan 8.230 nan 0.000 0.433 101 V N 0.005 119.976 119.914 0.095 0.000 2.358 101 V HA -0.239 3.881 4.120 0.000 0.000 0.246 101 V C 2.775 178.866 176.094 -0.005 0.000 1.047 101 V CA 1.703 64.023 62.300 0.034 0.000 1.035 101 V CB -1.113 30.730 31.823 0.034 0.000 0.658 101 V HN 0.458 nan 8.190 nan 0.000 0.452 102 A N 0.592 123.408 122.820 -0.006 0.000 1.969 102 A HA -0.208 4.112 4.320 0.000 0.000 0.218 102 A C 2.427 179.934 177.584 -0.129 0.000 1.169 102 A CA 2.096 54.103 52.037 -0.051 0.000 0.635 102 A CB -0.389 18.590 19.000 -0.036 0.000 0.810 102 A HN 0.601 nan 8.150 nan 0.000 0.445 103 R N -3.018 117.359 120.500 -0.205 0.000 2.250 103 R HA 0.227 4.567 4.340 0.000 0.000 0.194 103 R C 0.490 176.352 176.300 -0.729 0.000 0.927 103 R CA 0.531 56.346 56.100 -0.475 0.000 1.052 103 R CB 0.040 29.978 30.300 -0.603 0.000 1.055 103 R HN 0.335 nan 8.270 nan 0.000 0.537 104 F N -0.062 119.786 119.950 -0.169 0.000 2.682 104 F HA 0.457 4.984 4.527 -0.000 0.000 0.308 104 F C 1.472 177.065 175.800 -0.345 0.000 1.093 104 F CA 0.223 58.012 58.000 -0.352 0.000 1.244 104 F CB 1.281 39.840 39.000 -0.735 0.000 1.052 104 F HN 0.263 nan 8.300 nan 0.000 0.573 105 G N 0.871 109.628 108.800 -0.071 0.000 2.196 105 G HA2 -0.302 3.658 3.960 0.000 0.000 0.268 105 G HA3 -0.302 3.658 3.960 0.000 0.000 0.268 105 G C 0.250 175.108 174.900 -0.071 0.000 0.975 105 G CA 0.896 45.956 45.100 -0.065 0.000 0.648 105 G HN 0.514 nan 8.290 nan 0.000 0.538 106 Q N -1.928 117.800 119.800 -0.121 0.000 2.626 106 Q HA 0.723 5.063 4.340 0.000 0.000 0.300 106 Q C -0.346 175.629 176.000 -0.041 0.000 0.988 106 Q CA -0.709 55.047 55.803 -0.078 0.000 0.761 106 Q CB 1.815 30.508 28.738 -0.074 0.000 1.494 106 Q HN 1.481 nan 8.270 nan 0.000 0.439 107 G N 0.423 109.239 108.800 0.027 0.000 2.655 107 G HA2 0.495 4.455 3.960 0.000 0.000 0.296 107 G HA3 0.495 4.455 3.960 0.000 0.000 0.296 107 G C -2.119 172.818 174.900 0.063 0.000 1.485 107 G CA -0.635 44.516 45.100 0.085 0.000 0.869 107 G HN 0.386 nan 8.290 nan 0.000 0.540 108 Q N -0.054 119.786 119.800 0.066 0.000 2.295 108 Q HA 0.613 4.953 4.340 0.000 0.000 0.259 108 Q C -0.693 175.372 176.000 0.107 0.000 0.966 108 Q CA -0.604 55.213 55.803 0.022 0.000 0.763 108 Q CB 2.761 31.408 28.738 -0.152 0.000 1.283 108 Q HN 0.508 nan 8.270 nan 0.000 0.445 109 V N 1.529 121.550 119.914 0.178 0.000 2.680 109 V HA 0.559 4.679 4.120 0.000 0.000 0.309 109 V C -0.176 176.104 176.094 0.310 0.000 1.052 109 V CA -0.779 61.645 62.300 0.207 0.000 0.908 109 V CB 2.369 34.225 31.823 0.056 0.000 1.001 109 V HN 0.861 nan 8.190 nan 0.000 0.431 110 S N 4.125 119.959 115.700 0.223 0.000 2.573 110 S HA 0.310 4.780 4.470 0.000 0.000 0.277 110 S C -0.218 174.329 174.600 -0.087 0.000 1.346 110 S CA -0.475 57.654 58.200 -0.119 0.000 1.034 110 S CB 0.410 63.428 63.200 -0.304 0.000 0.879 110 S HN 0.445 nan 8.310 nan 0.000 0.528 111 L N 3.529 124.679 121.223 -0.122 0.000 2.410 111 L HA 0.304 4.644 4.340 0.000 0.000 0.273 111 L C -2.110 174.689 176.870 -0.118 0.000 1.152 111 L CA -1.854 52.923 54.840 -0.104 0.000 0.855 111 L CB -0.540 41.468 42.059 -0.084 0.000 1.129 111 L HN 0.415 nan 8.230 nan 0.000 0.463 112 P HA 0.364 nan 4.420 nan 0.000 0.276 112 P C -0.465 176.782 177.300 -0.090 0.000 1.230 112 P CA -0.312 62.717 63.100 -0.119 0.000 0.776 112 P CB 0.888 32.498 31.700 -0.150 0.000 0.888 113 G N 0.592 109.347 108.800 -0.076 0.000 2.591 113 G HA2 0.591 4.551 3.960 0.000 0.000 0.306 113 G HA3 0.591 4.551 3.960 0.000 0.000 0.306 113 G C -0.466 174.409 174.900 -0.041 0.000 1.334 113 G CA -0.664 44.401 45.100 -0.058 0.000 0.981 113 G HN 0.752 nan 8.290 nan 0.000 0.491 114 G N -0.620 108.163 108.800 -0.029 0.000 3.081 114 G HA2 0.413 4.373 3.960 0.000 0.000 0.603 114 G HA3 0.413 4.373 3.960 0.000 0.000 0.603 114 G C 0.197 175.089 174.900 -0.013 0.000 1.106 114 G CA 0.030 45.121 45.100 -0.014 0.000 1.001 114 G HN 1.843 nan 8.290 nan 0.000 0.445 115 A N 2.125 124.940 122.820 -0.008 0.000 2.271 115 A HA 0.963 5.283 4.320 0.000 0.000 0.288 115 A C 1.204 178.786 177.584 -0.003 0.000 1.094 115 A CA 0.832 52.864 52.037 -0.008 0.000 0.828 115 A CB 1.010 20.009 19.000 -0.003 0.000 1.091 115 A HN 1.481 nan 8.150 nan 0.000 0.493 116 T N -0.277 114.263 114.554 -0.024 0.000 3.408 116 T HA 0.085 4.436 4.350 0.000 0.000 0.273 116 T C 1.384 176.046 174.700 -0.062 0.000 0.983 116 T CA 0.827 62.911 62.100 -0.026 0.000 1.087 116 T CB -0.620 68.246 68.868 -0.004 0.000 1.170 116 T HN 0.772 nan 8.240 nan 0.000 0.456 117 I N 0.261 120.745 120.570 -0.143 0.000 3.735 117 I HA 0.603 4.773 4.170 0.000 0.000 0.310 117 I C 0.758 176.833 176.117 -0.069 0.000 1.270 117 I CA -0.010 61.167 61.300 -0.206 0.000 1.207 117 I CB -0.363 37.348 38.000 -0.482 0.000 1.013 117 I HN 0.368 nan 8.210 nan 0.000 0.452 118 G N -0.001 108.808 108.800 0.015 0.000 2.315 118 G HA2 0.405 4.366 3.960 0.000 0.000 0.294 118 G HA3 0.405 4.366 3.960 0.000 0.000 0.294 118 G C 0.094 175.038 174.900 0.073 0.000 1.300 118 G CA -0.243 44.919 45.100 0.103 0.000 0.843 118 G HN 0.020 nan 8.290 nan 0.000 0.527 119 A N -0.751 122.111 122.820 0.070 0.000 1.969 119 A HA 0.271 4.591 4.320 0.000 0.000 0.218 119 A C 1.646 179.258 177.584 0.047 0.000 1.169 119 A CA 1.960 54.023 52.037 0.044 0.000 0.635 119 A CB -0.513 18.505 19.000 0.031 0.000 0.810 119 A HN 1.407 nan 8.150 nan 0.000 0.445 120 R N -1.212 119.340 120.500 0.087 0.000 3.336 120 R HA -0.112 4.228 4.340 0.000 0.000 0.260 120 R C -2.202 174.115 176.300 0.028 0.000 1.032 120 R CA 0.388 56.541 56.100 0.088 0.000 0.693 120 R CB -1.871 28.489 30.300 0.099 0.000 1.134 120 R HN 0.569 nan 8.270 nan 0.000 0.433 121 P HA 0.004 nan 4.420 nan 0.000 0.271 121 P C 0.636 177.944 177.300 0.015 0.000 1.233 121 P CA 0.156 63.260 63.100 0.007 0.000 0.789 121 P CB 0.702 32.411 31.700 0.016 0.000 0.951 122 V N -2.914 116.995 119.914 -0.009 0.000 3.319 122 V HA 0.043 4.163 4.120 0.000 0.000 0.317 122 V C 1.545 177.722 176.094 0.138 0.000 1.411 122 V CA 0.515 62.840 62.300 0.041 0.000 1.112 122 V CB -0.802 30.871 31.823 -0.249 0.000 1.031 122 V HN 0.595 nan 8.190 nan 0.000 0.448 123 D N 1.653 122.099 120.400 0.077 0.000 2.347 123 D HA -0.285 4.355 4.640 0.000 0.000 0.208 123 D C 1.456 177.806 176.300 0.084 0.000 0.994 123 D CA 1.840 55.883 54.000 0.071 0.000 0.924 123 D CB -0.050 40.773 40.800 0.039 0.000 0.892 123 D HN 0.583 nan 8.370 nan 0.000 0.471 124 L N -0.874 120.418 121.223 0.114 0.000 2.513 124 L HA 0.083 4.423 4.340 0.000 0.000 0.222 124 L C 2.526 179.383 176.870 -0.022 0.000 1.096 124 L CA -0.112 54.741 54.840 0.023 0.000 0.857 124 L CB -0.375 41.663 42.059 -0.035 0.000 1.026 124 L HN 0.043 nan 8.230 nan 0.000 0.469 125 H N 0.664 119.748 119.070 0.023 0.000 2.270 125 H HA -0.124 4.432 4.556 0.000 0.000 0.299 125 H C 2.403 177.750 175.328 0.031 0.000 1.077 125 H CA 1.811 57.882 56.048 0.038 0.000 1.294 125 H CB 0.048 29.823 29.762 0.022 0.000 1.371 125 H HN 0.245 nan 8.280 nan 0.000 0.491 126 I N 0.536 121.210 120.570 0.174 0.000 2.151 126 I HA -0.312 3.858 4.170 0.000 0.000 0.243 126 I C 2.908 179.063 176.117 0.063 0.000 1.080 126 I CA 1.358 62.714 61.300 0.094 0.000 1.339 126 I CB -0.320 37.721 38.000 0.068 0.000 1.039 126 I HN 0.153 nan 8.210 nan 0.000 0.409 127 S N 0.403 116.134 115.700 0.053 0.000 2.383 127 S HA -0.142 4.328 4.470 0.000 0.000 0.229 127 S C 2.035 176.651 174.600 0.025 0.000 1.030 127 S CA 1.691 59.909 58.200 0.031 0.000 1.002 127 S CB -0.567 62.644 63.200 0.019 0.000 0.829 127 S HN 0.586 nan 8.310 nan 0.000 0.467 128 G N 1.143 109.959 108.800 0.026 0.000 2.411 128 G HA2 0.042 4.002 3.960 0.000 0.000 0.213 128 G HA3 0.042 4.002 3.960 0.000 0.000 0.213 128 G C 1.404 176.321 174.900 0.029 0.000 1.166 128 G CA 0.469 45.581 45.100 0.019 0.000 0.802 128 G HN 0.489 nan 8.290 nan 0.000 0.533 129 L N 0.384 121.634 121.223 0.045 0.000 2.021 129 L HA -0.180 4.160 4.340 0.000 0.000 0.215 129 L C 2.879 179.769 176.870 0.033 0.000 1.074 129 L CA 1.703 56.571 54.840 0.046 0.000 0.760 129 L CB -0.550 41.547 42.059 0.063 0.000 0.889 129 L HN 0.303 nan 8.230 nan 0.000 0.433 130 E N -0.219 120.000 120.200 0.033 0.000 2.085 130 E HA -0.283 4.067 4.350 0.000 0.000 0.194 130 E C 2.236 178.847 176.600 0.019 0.000 0.994 130 E CA 1.361 57.776 56.400 0.024 0.000 0.801 130 E CB -0.134 29.580 29.700 0.022 0.000 0.743 130 E HN 0.565 nan 8.360 nan 0.000 0.453 131 Q N 0.127 119.938 119.800 0.019 0.000 2.291 131 Q HA -0.068 4.272 4.340 0.000 0.000 0.205 131 Q C 1.899 177.909 176.000 0.017 0.000 0.970 131 Q CA 0.661 56.474 55.803 0.017 0.000 0.876 131 Q CB 0.058 28.806 28.738 0.017 0.000 0.935 131 Q HN 0.307 nan 8.270 nan 0.000 0.455 132 L N -1.084 120.149 121.223 0.017 0.000 2.599 132 L HA 0.077 4.417 4.340 0.000 0.000 0.230 132 L C 1.164 178.039 176.870 0.008 0.000 1.141 132 L CA 0.576 55.423 54.840 0.012 0.000 0.877 132 L CB 0.159 42.225 42.059 0.013 0.000 1.009 132 L HN 0.473 nan 8.230 nan 0.000 0.447 133 G N -1.028 107.778 108.800 0.010 0.000 2.905 133 G HA2 -0.177 3.783 3.960 0.000 0.000 0.196 133 G HA3 -0.177 3.783 3.960 0.000 0.000 0.196 133 G C 0.476 175.381 174.900 0.008 0.000 1.044 133 G CA -0.186 44.918 45.100 0.006 0.000 0.778 133 G HN 0.360 nan 8.290 nan 0.000 0.474 134 A N 0.410 123.238 122.820 0.012 0.000 2.475 134 A HA 0.569 4.890 4.320 0.000 0.000 0.239 134 A C 0.468 178.061 177.584 0.015 0.000 1.087 134 A CA 1.582 53.628 52.037 0.014 0.000 0.779 134 A CB 0.157 19.171 19.000 0.023 0.000 1.036 134 A HN 0.787 nan 8.150 nan 0.000 0.506 135 T N 1.788 116.350 114.554 0.014 0.000 2.788 135 T HA 0.500 4.850 4.350 0.000 0.000 0.296 135 T C -0.370 174.341 174.700 0.018 0.000 1.009 135 T CA 0.198 62.307 62.100 0.014 0.000 0.949 135 T CB 0.048 68.922 68.868 0.010 0.000 0.946 135 T HN 0.408 nan 8.240 nan 0.000 0.453 136 I N 4.654 125.238 120.570 0.022 0.000 2.354 136 I HA 0.397 4.567 4.170 0.000 0.000 0.292 136 I C 0.262 176.394 176.117 0.025 0.000 0.989 136 I CA -0.681 60.636 61.300 0.027 0.000 1.188 136 I CB 1.130 39.150 38.000 0.034 0.000 1.342 136 I HN 0.516 nan 8.210 nan 0.000 0.457 137 K N 6.565 126.981 120.400 0.027 0.000 2.281 137 K HA 0.783 5.103 4.320 0.000 0.000 0.242 137 K C -1.333 175.291 176.600 0.040 0.000 0.971 137 K CA -0.859 55.445 56.287 0.028 0.000 0.834 137 K CB 2.032 34.545 32.500 0.023 0.000 1.181 137 K HN 0.425 nan 8.250 nan 0.000 0.435 138 L N 2.561 123.806 121.223 0.038 0.000 2.318 138 L HA 0.398 4.738 4.340 0.000 0.000 0.277 138 L C -0.894 176.006 176.870 0.050 0.000 1.008 138 L CA -0.308 54.560 54.840 0.047 0.000 0.846 138 L CB 1.054 43.131 42.059 0.030 0.000 1.220 138 L HN 0.903 nan 8.230 nan 0.000 0.423 139 E N 2.033 122.281 120.200 0.080 0.000 2.375 139 E HA 0.325 4.676 4.350 0.000 0.000 0.280 139 E C -0.854 175.818 176.600 0.120 0.000 0.972 139 E CA -0.908 55.536 56.400 0.073 0.000 0.782 139 E CB 1.543 31.274 29.700 0.052 0.000 1.229 139 E HN 0.483 nan 8.360 nan 0.000 0.439 140 E N 0.595 120.842 120.200 0.079 0.000 2.476 140 E HA -0.263 4.087 4.350 0.000 0.000 0.251 140 E C 0.595 177.220 176.600 0.042 0.000 1.130 140 E CA 0.721 57.173 56.400 0.087 0.000 0.736 140 E CB -1.846 27.952 29.700 0.164 0.000 1.298 140 E HN 1.164 nan 8.360 nan 0.000 0.400 141 G N -0.957 107.831 108.800 -0.020 0.000 2.179 141 G HA2 -0.347 3.613 3.960 0.000 0.000 0.257 141 G HA3 -0.347 3.613 3.960 0.000 0.000 0.257 141 G C -0.384 174.371 174.900 -0.241 0.000 1.010 141 G CA 0.798 45.813 45.100 -0.141 0.000 0.736 141 G HN 0.339 nan 8.290 nan 0.000 0.513 142 Y N -1.718 118.577 120.300 -0.008 0.000 2.545 142 Y HA 0.559 5.109 4.550 0.000 0.000 0.348 142 Y C 0.239 176.136 175.900 -0.006 0.000 1.002 142 Y CA -1.122 56.977 58.100 -0.002 0.000 1.039 142 Y CB 2.358 40.822 38.460 0.008 0.000 1.271 142 Y HN 0.167 nan 8.280 nan 0.000 0.467 143 V N 3.068 123.114 119.914 0.219 0.000 2.311 143 V HA 0.370 4.490 4.120 0.000 0.000 0.275 143 V C -0.642 175.517 176.094 0.107 0.000 1.022 143 V CA -1.238 61.131 62.300 0.115 0.000 0.830 143 V CB 0.450 32.310 31.823 0.063 0.000 1.012 143 V HN 0.577 nan 8.190 nan 0.000 0.452 144 K N 3.976 124.420 120.400 0.073 0.000 2.268 144 K HA 0.724 5.045 4.320 0.000 0.000 0.276 144 K C 0.058 176.677 176.600 0.031 0.000 1.080 144 K CA -0.014 56.293 56.287 0.033 0.000 0.910 144 K CB 1.580 34.087 32.500 0.012 0.000 1.163 144 K HN 0.806 nan 8.250 nan 0.000 0.465 145 A N 2.100 124.940 122.820 0.033 0.000 2.320 145 A HA 0.753 5.073 4.320 0.000 0.000 0.334 145 A C -0.542 177.052 177.584 0.017 0.000 1.147 145 A CA -0.595 51.459 52.037 0.029 0.000 0.820 145 A CB 1.001 20.026 19.000 0.040 0.000 1.218 145 A HN 0.673 nan 8.150 nan 0.000 0.482 146 S N -0.575 115.131 115.700 0.011 0.000 2.547 146 S HA 0.688 5.158 4.470 0.000 0.000 0.270 146 S C -1.352 173.247 174.600 -0.001 0.000 1.150 146 S CA -0.634 57.566 58.200 -0.001 0.000 0.850 146 S CB 1.226 64.423 63.200 -0.004 0.000 1.118 146 S HN 1.842 nan 8.310 nan 0.000 0.461 147 V N 1.013 120.921 119.914 -0.010 0.000 2.808 147 V HA 0.562 4.682 4.120 0.000 0.000 0.308 147 V C -1.596 174.489 176.094 -0.016 0.000 1.099 147 V CA -0.578 61.716 62.300 -0.010 0.000 0.920 147 V CB 1.914 33.731 31.823 -0.010 0.000 1.014 147 V HN 1.121 nan 8.190 nan 0.000 0.425 148 D N 4.785 125.178 120.400 -0.011 0.000 2.317 148 D HA 0.600 5.240 4.640 0.000 0.000 0.252 148 D C 0.455 176.747 176.300 -0.014 0.000 1.174 148 D CA 1.695 55.688 54.000 -0.012 0.000 0.866 148 D CB 1.036 41.832 40.800 -0.006 0.000 1.127 148 D HN 1.290 nan 8.370 nan 0.000 0.467 149 G N 2.912 111.701 108.800 -0.018 0.000 2.855 149 G HA2 -0.247 3.713 3.960 0.000 0.000 0.352 149 G HA3 -0.247 3.713 3.960 0.000 0.000 0.352 149 G C -0.193 174.689 174.900 -0.029 0.000 1.415 149 G CA -0.722 44.365 45.100 -0.022 0.000 0.871 149 G HN 0.698 nan 8.290 nan 0.000 0.543 150 R N -0.899 119.582 120.500 -0.032 0.000 2.784 150 R HA 0.356 4.696 4.340 0.000 0.000 0.266 150 R C 1.097 177.382 176.300 -0.026 0.000 1.044 150 R CA -0.331 55.747 56.100 -0.036 0.000 1.151 150 R CB 0.133 30.410 30.300 -0.038 0.000 1.037 150 R HN 0.464 nan 8.270 nan 0.000 0.478 151 L N 1.421 122.628 121.223 -0.026 0.000 2.473 151 L HA 0.102 4.443 4.340 0.000 0.000 0.268 151 L C 0.370 177.230 176.870 -0.017 0.000 1.215 151 L CA 0.160 54.989 54.840 -0.017 0.000 0.823 151 L CB 0.086 42.136 42.059 -0.014 0.000 1.099 151 L HN 0.336 nan 8.230 nan 0.000 0.483 152 K N 0.857 121.251 120.400 -0.010 0.000 2.358 152 K HA 0.420 4.740 4.320 0.000 0.000 0.260 152 K C -0.188 176.409 176.600 -0.006 0.000 0.956 152 K CA -0.329 55.952 56.287 -0.010 0.000 0.834 152 K CB 1.605 34.101 32.500 -0.006 0.000 1.102 152 K HN 0.570 nan 8.250 nan 0.000 0.431 153 G N 2.141 110.934 108.800 -0.012 0.000 2.562 153 G HA2 0.412 4.372 3.960 0.000 0.000 0.233 153 G HA3 0.412 4.372 3.960 0.000 0.000 0.233 153 G C -0.673 174.227 174.900 -0.000 0.000 1.266 153 G CA 0.237 45.331 45.100 -0.011 0.000 0.852 153 G HN 0.749 nan 8.290 nan 0.000 0.581 154 A N 0.752 123.578 122.820 0.010 0.000 2.530 154 A HA 0.684 5.004 4.320 0.000 0.000 0.288 154 A C -0.787 176.840 177.584 0.071 0.000 1.172 154 A CA -0.750 51.310 52.037 0.038 0.000 0.733 154 A CB 1.076 20.102 19.000 0.044 0.000 1.320 154 A HN 0.911 nan 8.150 nan 0.000 0.419 155 H N 0.554 119.619 119.070 -0.009 0.000 2.787 155 H HA 0.546 5.103 4.556 0.000 0.000 0.275 155 H C -1.017 174.306 175.328 -0.009 0.000 1.183 155 H CA -0.364 55.678 56.048 -0.009 0.000 1.290 155 H CB 0.026 29.783 29.762 -0.008 0.000 1.438 155 H HN 0.412 nan 8.280 nan 0.000 0.487 156 I N 6.554 127.269 120.570 0.242 0.000 2.337 156 I HA 0.096 4.266 4.170 0.000 0.000 0.285 156 I C -0.291 175.872 176.117 0.077 0.000 1.041 156 I CA -0.780 60.578 61.300 0.096 0.000 1.199 156 I CB 1.450 39.485 38.000 0.059 0.000 1.370 156 I HN 0.325 nan 8.210 nan 0.000 0.470 157 V N 7.405 127.309 119.914 -0.017 0.000 2.439 157 V HA 0.169 4.290 4.120 0.000 0.000 0.271 157 V C 0.631 176.711 176.094 -0.023 0.000 1.040 157 V CA 0.065 62.342 62.300 -0.038 0.000 1.002 157 V CB 0.625 32.389 31.823 -0.100 0.000 1.000 157 V HN 0.648 nan 8.190 nan 0.000 0.477 158 M N 3.738 123.331 119.600 -0.012 0.000 2.180 158 M HA 0.207 4.687 4.480 0.000 0.000 0.358 158 M C 1.312 177.599 176.300 -0.021 0.000 1.233 158 M CA -0.196 55.093 55.300 -0.018 0.000 1.114 158 M CB 0.991 33.580 32.600 -0.018 0.000 1.594 158 M HN 0.687 nan 8.290 nan 0.000 0.467 159 D N 3.293 123.679 120.400 -0.023 0.000 2.097 159 D HA -0.084 4.556 4.640 0.000 0.000 0.197 159 D C -0.012 176.274 176.300 -0.023 0.000 0.984 159 D CA 1.319 55.305 54.000 -0.022 0.000 0.826 159 D CB 0.566 41.354 40.800 -0.020 0.000 0.973 159 D HN 0.652 nan 8.370 nan 0.000 0.460 160 K N -0.316 120.068 120.400 -0.027 0.000 2.385 160 K HA 0.469 4.789 4.320 0.000 0.000 0.248 160 K C -0.556 176.023 176.600 -0.034 0.000 0.955 160 K CA -0.961 55.307 56.287 -0.032 0.000 0.816 160 K CB 2.419 34.895 32.500 -0.040 0.000 1.250 160 K HN -0.302 nan 8.250 nan 0.000 0.434 161 V N 1.507 121.401 119.914 -0.034 0.000 2.557 161 V HA 0.082 4.202 4.120 0.000 0.000 0.301 161 V C -0.040 176.027 176.094 -0.045 0.000 1.026 161 V CA 0.215 62.495 62.300 -0.032 0.000 1.137 161 V CB 0.682 32.492 31.823 -0.022 0.000 0.917 161 V HN 0.826 nan 8.190 nan 0.000 0.484 162 S N 3.741 119.421 115.700 -0.032 0.000 2.720 162 S HA 0.389 4.860 4.470 0.000 0.000 0.278 162 S C 0.358 174.965 174.600 0.011 0.000 1.172 162 S CA -0.616 57.569 58.200 -0.025 0.000 1.019 162 S CB 1.818 64.991 63.200 -0.045 0.000 1.049 162 S HN 0.349 nan 8.310 nan 0.000 0.483 163 V N 5.276 125.221 119.914 0.052 0.000 2.261 163 V HA -0.021 4.099 4.120 0.000 0.000 0.246 163 V C 2.659 178.875 176.094 0.203 0.000 1.047 163 V CA 2.658 65.021 62.300 0.105 0.000 1.015 163 V CB -1.121 30.783 31.823 0.135 0.000 0.642 163 V HN 0.945 nan 8.190 nan 0.000 0.446 164 G N -0.682 108.303 108.800 0.308 0.000 2.418 164 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 164 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 164 G C 1.780 176.850 174.900 0.284 0.000 1.158 164 G CA 1.107 46.554 45.100 0.578 0.000 0.771 164 G HN 0.610 nan 8.290 nan 0.000 0.545 165 A N 0.477 123.164 122.820 -0.222 0.000 1.865 165 A HA -0.066 4.254 4.320 0.000 0.000 0.217 165 A C 2.498 179.997 177.584 -0.143 0.000 1.191 165 A CA 2.595 54.328 52.037 -0.507 0.000 0.623 165 A CB -1.278 17.456 19.000 -0.444 0.000 0.826 165 A HN 0.288 nan 8.150 nan 0.000 0.444 166 T N -0.139 114.380 114.554 -0.058 0.000 2.684 166 T HA -0.233 4.117 4.350 0.000 0.000 0.267 166 T C 1.818 176.516 174.700 -0.004 0.000 1.032 166 T CA 1.944 64.034 62.100 -0.017 0.000 1.155 166 T CB -0.664 68.200 68.868 -0.007 0.000 0.857 166 T HN 0.192 nan 8.240 nan 0.000 0.457 167 V N 0.947 120.884 119.914 0.038 0.000 2.270 167 V HA -0.193 3.927 4.120 0.000 0.000 0.245 167 V C 2.765 178.857 176.094 -0.004 0.000 1.043 167 V CA 2.208 64.476 62.300 -0.054 0.000 1.014 167 V CB -1.202 30.452 31.823 -0.282 0.000 0.645 167 V HN 0.521 nan 8.190 nan 0.000 0.447 168 T N 0.506 115.163 114.554 0.172 0.000 2.635 168 T HA -0.216 4.134 4.350 0.000 0.000 0.267 168 T C 1.774 176.526 174.700 0.086 0.000 1.040 168 T CA 2.158 64.381 62.100 0.205 0.000 1.156 168 T CB -0.378 68.688 68.868 0.329 0.000 0.863 168 T HN 0.359 nan 8.240 nan 0.000 0.430 169 I N 0.382 120.974 120.570 0.036 0.000 2.454 169 I HA -0.146 4.025 4.170 0.000 0.000 0.254 169 I C 2.485 178.604 176.117 0.003 0.000 1.156 169 I CA 1.038 62.347 61.300 0.016 0.000 1.433 169 I CB -0.341 37.658 38.000 -0.001 0.000 1.082 169 I HN 0.291 nan 8.210 nan 0.000 0.432 170 M N 0.070 119.665 119.600 -0.009 0.000 2.134 170 M HA -0.196 4.284 4.480 0.000 0.000 0.262 170 M C 2.624 178.908 176.300 -0.027 0.000 1.076 170 M CA 1.819 57.104 55.300 -0.025 0.000 1.143 170 M CB -0.121 32.454 32.600 -0.041 0.000 1.346 170 M HN 0.339 nan 8.290 nan 0.000 0.421 171 C N 0.861 120.146 119.300 -0.026 0.000 2.359 171 C HA -0.226 4.234 4.460 0.000 0.000 0.277 171 C C 2.956 177.946 174.990 0.001 0.000 1.192 171 C CA 1.347 60.359 59.018 -0.011 0.000 1.759 171 C CB -1.749 25.994 27.740 0.005 0.000 2.038 171 C HN 0.750 nan 8.230 nan 0.000 0.448 172 A N 0.642 123.475 122.820 0.023 0.000 1.892 172 A HA -0.038 4.282 4.320 0.000 0.000 0.218 172 A C 2.351 179.932 177.584 -0.005 0.000 1.188 172 A CA 2.483 54.531 52.037 0.017 0.000 0.631 172 A CB -1.116 17.905 19.000 0.035 0.000 0.822 172 A HN 0.758 nan 8.150 nan 0.000 0.447 173 A N -0.341 122.474 122.820 -0.007 0.000 2.194 173 A HA -0.089 4.231 4.320 0.000 0.000 0.220 173 A C 2.224 179.789 177.584 -0.033 0.000 1.162 173 A CA 2.292 54.317 52.037 -0.019 0.000 0.674 173 A CB -1.307 17.681 19.000 -0.020 0.000 0.789 173 A HN 0.834 nan 8.150 nan 0.000 0.470 174 T N -2.419 112.112 114.554 -0.038 0.000 2.951 174 T HA 0.097 4.448 4.350 0.000 0.000 0.268 174 T C 1.113 175.778 174.700 -0.058 0.000 1.073 174 T CA 0.908 62.976 62.100 -0.052 0.000 1.134 174 T CB -0.290 68.540 68.868 -0.064 0.000 0.884 174 T HN 0.307 nan 8.240 nan 0.000 0.479 175 L N 1.306 122.495 121.223 -0.057 0.000 2.912 175 L HA 0.579 4.920 4.340 0.000 0.000 0.240 175 L C 0.849 177.685 176.870 -0.056 0.000 1.262 175 L CA -0.711 54.089 54.840 -0.067 0.000 1.058 175 L CB -0.370 41.636 42.059 -0.089 0.000 1.383 175 L HN 0.309 nan 8.230 nan 0.000 0.512 176 A N -0.163 122.630 122.820 -0.045 0.000 2.269 176 A HA 0.406 4.726 4.320 0.000 0.000 0.327 176 A C -0.053 177.510 177.584 -0.035 0.000 1.112 176 A CA -0.476 51.539 52.037 -0.036 0.000 0.865 176 A CB 0.796 19.780 19.000 -0.027 0.000 1.227 176 A HN 0.274 nan 8.150 nan 0.000 0.498 177 E N 0.096 120.278 120.200 -0.029 0.000 1.861 177 E HA 0.448 4.799 4.350 0.000 0.000 0.263 177 E C 0.575 177.160 176.600 -0.025 0.000 1.137 177 E CA 0.946 57.330 56.400 -0.027 0.000 0.944 177 E CB -0.361 29.325 29.700 -0.023 0.000 1.092 177 E HN 1.313 nan 8.360 nan 0.000 0.420 178 G N 2.192 110.975 108.800 -0.029 0.000 2.337 178 G HA2 -0.164 3.796 3.960 0.000 0.000 0.197 178 G HA3 -0.164 3.796 3.960 0.000 0.000 0.197 178 G C -0.563 174.317 174.900 -0.034 0.000 1.238 178 G CA -0.528 44.555 45.100 -0.029 0.000 1.119 178 G HN 0.335 nan 8.290 nan 0.000 0.514 179 T N 1.572 116.104 114.554 -0.038 0.000 2.770 179 T HA 0.647 4.997 4.350 0.000 0.000 0.283 179 T C -0.047 174.621 174.700 -0.054 0.000 0.988 179 T CA 0.172 62.242 62.100 -0.049 0.000 0.957 179 T CB 1.333 70.165 68.868 -0.060 0.000 0.930 179 T HN 0.694 nan 8.240 nan 0.000 0.443 180 T N 4.586 119.110 114.554 -0.050 0.000 2.799 180 T HA 0.558 4.909 4.350 0.000 0.000 0.286 180 T C 0.098 174.756 174.700 -0.070 0.000 0.973 180 T CA -0.460 61.612 62.100 -0.046 0.000 1.035 180 T CB 0.370 69.223 68.868 -0.025 0.000 0.932 180 T HN 0.418 nan 8.240 nan 0.000 0.469 181 I N 3.984 124.501 120.570 -0.089 0.000 2.389 181 I HA 0.435 4.605 4.170 0.000 0.000 0.288 181 I C -0.375 175.767 176.117 0.042 0.000 0.999 181 I CA -0.786 60.453 61.300 -0.102 0.000 1.129 181 I CB 1.514 39.286 38.000 -0.380 0.000 1.288 181 I HN 0.464 nan 8.210 nan 0.000 0.444 182 I N 5.965 126.553 120.570 0.030 0.000 2.330 182 I HA 0.267 4.437 4.170 0.000 0.000 0.286 182 I C 0.063 176.217 176.117 0.062 0.000 1.025 182 I CA -0.597 60.736 61.300 0.055 0.000 1.197 182 I CB 0.700 38.711 38.000 0.018 0.000 1.358 182 I HN 0.485 nan 8.210 nan 0.000 0.467 183 E N 6.049 126.308 120.200 0.098 0.000 2.301 183 E HA 0.118 4.468 4.350 0.000 0.000 0.275 183 E C 0.249 176.866 176.600 0.028 0.000 1.030 183 E CA -0.315 56.128 56.400 0.070 0.000 0.852 183 E CB 1.297 31.043 29.700 0.077 0.000 1.060 183 E HN 0.681 nan 8.360 nan 0.000 0.401 184 N N 0.454 119.166 118.700 0.020 0.000 2.815 184 N HA -0.205 4.535 4.740 0.000 0.000 0.249 184 N C -0.664 174.848 175.510 0.004 0.000 1.114 184 N CA 0.212 53.267 53.050 0.008 0.000 0.717 184 N CB -0.480 38.006 38.487 -0.001 0.000 1.074 184 N HN 0.584 nan 8.380 nan 0.000 0.555 185 A N 0.616 123.441 122.820 0.008 0.000 2.531 185 A HA 0.506 4.826 4.320 0.000 0.000 0.236 185 A C 1.002 178.588 177.584 0.003 0.000 1.062 185 A CA 0.580 52.618 52.037 0.002 0.000 0.760 185 A CB 0.384 19.385 19.000 0.002 0.000 0.995 185 A HN 0.649 nan 8.150 nan 0.000 0.501 186 A N 2.537 125.357 122.820 -0.001 0.000 2.524 186 A HA 0.288 4.608 4.320 0.000 0.000 0.250 186 A C 1.147 178.731 177.584 -0.001 0.000 1.078 186 A CA -0.088 51.951 52.037 0.004 0.000 0.761 186 A CB -0.069 18.934 19.000 0.006 0.000 1.012 186 A HN 0.856 nan 8.150 nan 0.000 0.500 187 R N 1.278 121.787 120.500 0.015 0.000 2.310 187 R HA 0.032 4.372 4.340 0.000 0.000 0.202 187 R C -0.260 175.997 176.300 -0.072 0.000 0.933 187 R CA -0.063 56.047 56.100 0.016 0.000 1.054 187 R CB 0.061 30.415 30.300 0.089 0.000 0.985 187 R HN 0.777 nan 8.270 nan 0.000 0.489 188 E N 1.159 121.269 120.200 -0.150 0.000 2.485 188 E HA -0.079 4.272 4.350 0.000 0.000 0.266 188 E C -1.650 174.732 176.600 -0.364 0.000 1.090 188 E CA -0.902 55.259 56.400 -0.398 0.000 0.987 188 E CB 0.359 29.948 29.700 -0.186 0.000 0.974 188 E HN -0.111 nan 8.360 nan 0.000 0.455 189 P HA -0.109 nan 4.420 nan 0.000 0.218 189 P C 0.232 177.461 177.300 -0.119 0.000 1.149 189 P CA 1.087 64.053 63.100 -0.223 0.000 0.817 189 P CB 0.314 31.908 31.700 -0.178 0.000 0.785 190 E N -0.969 119.163 120.200 -0.113 0.000 2.216 190 E HA -0.043 4.308 4.350 0.000 0.000 0.192 190 E C 1.944 178.491 176.600 -0.089 0.000 0.988 190 E CA 0.573 56.927 56.400 -0.075 0.000 0.834 190 E CB -0.824 28.843 29.700 -0.055 0.000 0.772 190 E HN 0.254 nan 8.360 nan 0.000 0.479 191 I N 0.024 120.540 120.570 -0.090 0.000 2.163 191 I HA -0.263 3.907 4.170 0.000 0.000 0.240 191 I C 1.964 178.038 176.117 -0.071 0.000 1.081 191 I CA 0.791 62.041 61.300 -0.084 0.000 1.353 191 I CB -0.359 37.601 38.000 -0.066 0.000 1.054 191 I HN 0.005 nan 8.210 nan 0.000 0.407 192 V N 0.946 120.822 119.914 -0.063 0.000 2.277 192 V HA -0.387 3.733 4.120 0.000 0.000 0.253 192 V C 2.204 178.290 176.094 -0.013 0.000 1.067 192 V CA 2.435 64.714 62.300 -0.035 0.000 1.047 192 V CB -0.769 31.036 31.823 -0.029 0.000 0.649 192 V HN 0.455 nan 8.190 nan 0.000 0.447 193 D N -0.263 120.135 120.400 -0.004 0.000 2.078 193 D HA -0.145 4.496 4.640 0.000 0.000 0.193 193 D C 2.312 178.566 176.300 -0.077 0.000 0.990 193 D CA 1.947 55.979 54.000 0.054 0.000 0.827 193 D CB -0.385 40.455 40.800 0.068 0.000 0.975 193 D HN 0.428 nan 8.370 nan 0.000 0.451 194 T N 0.029 114.516 114.554 -0.113 0.000 2.624 194 T HA -0.243 4.107 4.350 0.000 0.000 0.268 194 T C 1.903 176.544 174.700 -0.099 0.000 1.041 194 T CA 2.063 64.076 62.100 -0.144 0.000 1.159 194 T CB -0.641 68.126 68.868 -0.168 0.000 0.863 194 T HN 0.265 nan 8.240 nan 0.000 0.434 195 A N 2.037 124.807 122.820 -0.084 0.000 1.972 195 A HA -0.149 4.171 4.320 0.000 0.000 0.219 195 A C 2.195 179.729 177.584 -0.084 0.000 1.169 195 A CA 1.496 53.489 52.037 -0.072 0.000 0.635 195 A CB -0.533 18.435 19.000 -0.053 0.000 0.810 195 A HN 0.412 nan 8.150 nan 0.000 0.446 196 N N -1.240 117.412 118.700 -0.080 0.000 2.331 196 N HA -0.069 4.671 4.740 0.000 0.000 0.180 196 N C 1.294 176.665 175.510 -0.232 0.000 1.019 196 N CA 1.059 54.075 53.050 -0.056 0.000 0.881 196 N CB -0.491 38.081 38.487 0.140 0.000 0.972 196 N HN 0.562 nan 8.380 nan 0.000 0.435 197 F N 2.018 121.521 119.950 -0.746 0.000 2.039 197 F HA -0.020 4.507 4.527 0.000 0.000 0.294 197 F C 2.050 177.644 175.800 -0.343 0.000 1.130 197 F CA 0.961 58.464 58.000 -0.829 0.000 1.189 197 F CB -0.693 37.805 39.000 -0.837 0.000 0.983 197 F HN -0.130 nan 8.300 nan 0.000 0.471 198 L N 0.307 121.319 121.223 -0.351 0.000 2.030 198 L HA -0.344 3.996 4.340 0.000 0.000 0.222 198 L C 2.539 179.235 176.870 -0.290 0.000 1.082 198 L CA 2.136 56.768 54.840 -0.346 0.000 0.785 198 L CB -1.006 40.962 42.059 -0.151 0.000 0.895 198 L HN 0.257 nan 8.230 nan 0.000 0.439 199 I N -0.869 119.584 120.570 -0.194 0.000 2.226 199 I HA -0.276 3.894 4.170 0.000 0.000 0.245 199 I C 2.503 178.541 176.117 -0.132 0.000 1.100 199 I CA 1.601 62.823 61.300 -0.131 0.000 1.374 199 I CB -0.545 37.413 38.000 -0.069 0.000 1.057 199 I HN 0.290 nan 8.210 nan 0.000 0.413 200 T N 1.507 115.977 114.554 -0.141 0.000 2.665 200 T HA -0.191 4.159 4.350 0.000 0.000 0.268 200 T C 1.844 176.440 174.700 -0.173 0.000 1.035 200 T CA 1.382 63.421 62.100 -0.101 0.000 1.151 200 T CB -0.461 68.398 68.868 -0.015 0.000 0.862 200 T HN 0.293 nan 8.240 nan 0.000 0.438 201 L N 0.409 121.425 121.223 -0.345 0.000 2.450 201 L HA 0.077 4.418 4.340 0.000 0.000 0.224 201 L C 1.998 178.752 176.870 -0.194 0.000 1.149 201 L CA 0.905 55.556 54.840 -0.314 0.000 0.816 201 L CB -0.801 40.971 42.059 -0.478 0.000 0.932 201 L HN 0.604 nan 8.230 nan 0.000 0.449 202 G N -0.685 108.016 108.800 -0.166 0.000 2.143 202 G HA2 -0.132 3.828 3.960 0.000 0.000 0.175 202 G HA3 -0.132 3.828 3.960 0.000 0.000 0.175 202 G C 0.302 175.139 174.900 -0.105 0.000 1.004 202 G CA -0.166 44.867 45.100 -0.112 0.000 0.671 202 G HN 0.489 nan 8.290 nan 0.000 0.512 203 A N -0.165 122.579 122.820 -0.127 0.000 2.366 203 A HA 0.681 5.001 4.320 0.000 0.000 0.250 203 A C 0.611 178.148 177.584 -0.078 0.000 1.099 203 A CA 0.384 52.359 52.037 -0.103 0.000 0.794 203 A CB 0.401 19.334 19.000 -0.112 0.000 1.056 203 A HN 0.384 nan 8.150 nan 0.000 0.499 204 K N 0.945 121.306 120.400 -0.065 0.000 2.540 204 K HA 0.478 4.798 4.320 0.000 0.000 0.218 204 K C -1.492 175.078 176.600 -0.049 0.000 1.017 204 K CA 0.314 56.569 56.287 -0.053 0.000 1.029 204 K CB 0.728 33.200 32.500 -0.047 0.000 1.348 204 K HN 0.571 nan 8.250 nan 0.000 0.508 205 I N 0.760 121.302 120.570 -0.048 0.000 2.474 205 I HA 0.304 4.474 4.170 0.000 0.000 0.294 205 I C -0.232 175.865 176.117 -0.034 0.000 1.005 205 I CA -0.689 60.585 61.300 -0.043 0.000 1.113 205 I CB 2.083 40.053 38.000 -0.049 0.000 1.289 205 I HN 0.301 nan 8.210 nan 0.000 0.436 206 S N 3.271 118.952 115.700 -0.031 0.000 2.546 206 S HA 0.736 5.206 4.470 0.000 0.000 0.274 206 S C 0.246 174.834 174.600 -0.021 0.000 1.121 206 S CA 0.309 58.495 58.200 -0.024 0.000 0.887 206 S CB 1.793 64.980 63.200 -0.023 0.000 1.094 206 S HN 1.146 nan 8.310 nan 0.000 0.474 207 G N 2.298 111.090 108.800 -0.015 0.000 2.176 207 G HA2 -0.203 3.757 3.960 0.000 0.000 0.232 207 G HA3 -0.203 3.757 3.960 0.000 0.000 0.232 207 G C 0.089 174.984 174.900 -0.008 0.000 0.986 207 G CA 0.262 45.355 45.100 -0.010 0.000 0.643 207 G HN 1.169 nan 8.290 nan 0.000 0.522 208 Q N 0.550 120.342 119.800 -0.013 0.000 2.386 208 Q HA 0.381 4.721 4.340 0.000 0.000 0.282 208 Q C 1.401 177.397 176.000 -0.007 0.000 1.050 208 Q CA 1.176 56.970 55.803 -0.015 0.000 0.918 208 Q CB 0.642 29.366 28.738 -0.023 0.000 1.266 208 Q HN 1.867 nan 8.270 nan 0.000 0.423 209 G N 1.622 110.416 108.800 -0.010 0.000 2.396 209 G HA2 -0.372 3.588 3.960 0.000 0.000 0.242 209 G HA3 -0.372 3.588 3.960 0.000 0.000 0.242 209 G C 0.397 175.310 174.900 0.021 0.000 1.069 209 G CA 0.938 46.042 45.100 0.006 0.000 0.633 209 G HN 1.274 nan 8.290 nan 0.000 0.517 210 T N -0.202 114.359 114.554 0.012 0.000 2.847 210 T HA 0.472 4.822 4.350 0.000 0.000 0.279 210 T C 1.300 176.008 174.700 0.014 0.000 0.984 210 T CA 0.764 62.873 62.100 0.015 0.000 0.988 210 T CB 1.358 70.232 68.868 0.010 0.000 1.040 210 T HN 0.472 nan 8.240 nan 0.000 0.528 211 D N 0.041 120.451 120.400 0.017 0.000 2.378 211 D HA -0.051 4.589 4.640 0.000 0.000 0.227 211 D C 0.664 176.974 176.300 0.016 0.000 1.012 211 D CA 0.237 54.246 54.000 0.016 0.000 0.905 211 D CB -0.128 40.681 40.800 0.016 0.000 0.895 211 D HN 0.618 nan 8.370 nan 0.000 0.532 212 R N 0.479 120.987 120.500 0.013 0.000 2.539 212 R HA 0.410 4.750 4.340 0.000 0.000 0.295 212 R C -1.161 175.140 176.300 0.002 0.000 1.138 212 R CA -0.553 55.557 56.100 0.015 0.000 0.936 212 R CB 0.683 30.994 30.300 0.017 0.000 1.182 212 R HN -0.058 nan 8.270 nan 0.000 0.459 213 I N 4.207 124.776 120.570 -0.002 0.000 2.428 213 I HA 0.349 4.519 4.170 0.000 0.000 0.296 213 I C -0.194 175.907 176.117 -0.026 0.000 0.985 213 I CA -1.090 60.201 61.300 -0.015 0.000 1.260 213 I CB 1.945 39.935 38.000 -0.017 0.000 1.389 213 I HN 0.199 nan 8.210 nan 0.000 0.484 214 V N 6.887 126.781 119.914 -0.034 0.000 2.448 214 V HA 0.440 4.560 4.120 0.000 0.000 0.295 214 V C -0.436 175.631 176.094 -0.045 0.000 1.025 214 V CA -0.496 61.776 62.300 -0.047 0.000 0.859 214 V CB 1.579 33.369 31.823 -0.054 0.000 0.988 214 V HN 0.404 nan 8.190 nan 0.000 0.431 215 I N 4.170 124.712 120.570 -0.047 0.000 2.411 215 I HA 0.411 4.581 4.170 0.000 0.000 0.284 215 I C 0.036 176.125 176.117 -0.046 0.000 1.012 215 I CA -0.585 60.688 61.300 -0.045 0.000 1.119 215 I CB 1.800 39.775 38.000 -0.042 0.000 1.261 215 I HN 0.814 nan 8.210 nan 0.000 0.448 216 E N 5.000 125.172 120.200 -0.046 0.000 2.197 216 E HA 0.661 5.011 4.350 0.000 0.000 0.281 216 E C 0.276 176.849 176.600 -0.045 0.000 0.995 216 E CA -0.898 55.476 56.400 -0.044 0.000 0.808 216 E CB 1.270 30.944 29.700 -0.042 0.000 1.093 216 E HN 0.699 nan 8.360 nan 0.000 0.394 217 G N 2.258 111.033 108.800 -0.043 0.000 2.414 217 G HA2 0.315 4.275 3.960 0.000 0.000 0.236 217 G HA3 0.315 4.275 3.960 0.000 0.000 0.236 217 G C 0.228 175.100 174.900 -0.047 0.000 1.293 217 G CA 0.046 45.119 45.100 -0.045 0.000 0.869 217 G HN 0.640 nan 8.290 nan 0.000 0.556 218 V N -0.151 119.731 119.914 -0.053 0.000 3.240 218 V HA 0.768 4.889 4.120 0.000 0.000 0.306 218 V C 0.924 176.984 176.094 -0.057 0.000 1.227 218 V CA 0.028 62.297 62.300 -0.053 0.000 1.047 218 V CB 1.784 33.572 31.823 -0.058 0.000 1.203 218 V HN 0.830 nan 8.190 nan 0.000 0.471 219 E N -0.333 119.834 120.200 -0.055 0.000 2.431 219 E HA 0.325 4.675 4.350 0.000 0.000 0.200 219 E C 0.765 177.322 176.600 -0.071 0.000 0.995 219 E CA -0.137 56.227 56.400 -0.060 0.000 0.915 219 E CB 0.558 30.229 29.700 -0.048 0.000 0.930 219 E HN 0.643 nan 8.360 nan 0.000 0.496 220 R N 0.526 120.984 120.500 -0.070 0.000 2.579 220 R HA 0.384 4.724 4.340 0.000 0.000 0.260 220 R C -1.811 174.443 176.300 -0.077 0.000 1.103 220 R CA -0.573 55.483 56.100 -0.075 0.000 0.942 220 R CB 1.192 31.456 30.300 -0.059 0.000 1.251 220 R HN 0.138 nan 8.270 nan 0.000 0.450 221 L N 2.477 123.649 121.223 -0.086 0.000 2.334 221 L HA 0.592 4.932 4.340 0.000 0.000 0.273 221 L C 1.115 177.935 176.870 -0.084 0.000 1.013 221 L CA -0.651 54.130 54.840 -0.097 0.000 0.816 221 L CB 1.930 43.916 42.059 -0.121 0.000 1.278 221 L HN 0.885 nan 8.230 nan 0.000 0.431 222 G N 0.671 109.416 108.800 -0.092 0.000 3.229 222 G HA2 0.604 4.564 3.960 0.000 0.000 0.165 222 G HA3 0.604 4.564 3.960 0.000 0.000 0.165 222 G C -0.029 174.830 174.900 -0.068 0.000 1.753 222 G CA 0.364 45.424 45.100 -0.067 0.000 1.054 222 G HN 0.770 nan 8.290 nan 0.000 0.544 223 G N -3.188 105.579 108.800 -0.054 0.000 2.975 223 G HA2 0.721 4.681 3.960 0.000 0.000 0.291 223 G HA3 0.721 4.681 3.960 0.000 0.000 0.291 223 G C -0.367 174.520 174.900 -0.021 0.000 1.334 223 G CA 0.130 45.213 45.100 -0.027 0.000 0.843 223 G HN 1.867 nan 8.290 nan 0.000 0.548 224 G N -2.689 106.135 108.800 0.040 0.000 2.362 224 G HA2 0.490 4.450 3.960 0.000 0.000 0.288 224 G HA3 0.490 4.450 3.960 0.000 0.000 0.288 224 G C -1.943 173.036 174.900 0.132 0.000 1.305 224 G CA 0.124 45.261 45.100 0.062 0.000 0.910 224 G HN 1.442 nan 8.290 nan 0.000 0.518 225 V N 0.749 120.748 119.914 0.141 0.000 2.409 225 V HA 0.599 4.720 4.120 0.000 0.000 0.290 225 V C -1.199 175.025 176.094 0.217 0.000 1.017 225 V CA -0.583 61.813 62.300 0.160 0.000 0.841 225 V CB 1.211 33.089 31.823 0.091 0.000 1.003 225 V HN 0.799 nan 8.190 nan 0.000 0.426 226 Y N 4.680 125.062 120.300 0.137 0.000 2.364 226 Y HA 0.638 5.188 4.550 -0.000 0.000 0.340 226 Y C 0.182 176.096 175.900 0.023 0.000 0.975 226 Y CA -0.819 57.356 58.100 0.126 0.000 1.089 226 Y CB 1.535 40.176 38.460 0.303 0.000 1.192 226 Y HN 0.669 nan 8.280 nan 0.000 0.454 227 R N 4.534 124.745 120.500 -0.482 0.000 2.297 227 R HA 0.621 4.961 4.340 0.000 0.000 0.308 227 R C -1.551 174.561 176.300 -0.314 0.000 1.029 227 R CA -0.528 55.388 56.100 -0.307 0.000 0.929 227 R CB 0.834 30.980 30.300 -0.256 0.000 1.046 227 R HN 0.577 nan 8.270 nan 0.000 0.461 228 V N 6.720 126.576 119.914 -0.097 0.000 2.583 228 V HA 0.103 4.223 4.120 0.000 0.000 0.287 228 V C 0.824 176.899 176.094 -0.032 0.000 1.051 228 V CA -0.535 61.756 62.300 -0.015 0.000 1.010 228 V CB 0.907 32.723 31.823 -0.012 0.000 0.988 228 V HN 0.766 nan 8.190 nan 0.000 0.478 229 L N 5.457 126.683 121.223 0.005 0.000 2.503 229 L HA 0.305 4.645 4.340 0.000 0.000 0.287 229 L C -2.377 174.492 176.870 -0.002 0.000 1.252 229 L CA -0.926 53.912 54.840 -0.004 0.000 0.835 229 L CB -0.290 41.776 42.059 0.012 0.000 1.099 229 L HN 0.366 nan 8.230 nan 0.000 0.516 230 P HA 0.045 nan 4.420 nan 0.000 0.271 230 P C -1.168 176.145 177.300 0.021 0.000 1.218 230 P CA -0.109 63.002 63.100 0.018 0.000 0.780 230 P CB 0.437 32.153 31.700 0.028 0.000 0.901 231 D N 2.885 123.302 120.400 0.028 0.000 2.398 231 D HA -0.021 4.619 4.640 0.000 0.000 0.250 231 D C 1.357 177.680 176.300 0.038 0.000 1.287 231 D CA 0.063 54.075 54.000 0.020 0.000 0.992 231 D CB 0.377 41.185 40.800 0.012 0.000 1.071 231 D HN 0.330 nan 8.370 nan 0.000 0.514 232 R N 3.102 123.618 120.500 0.026 0.000 2.193 232 R HA -0.112 4.228 4.340 0.000 0.000 0.229 232 R C 1.231 177.553 176.300 0.038 0.000 1.110 232 R CA 0.609 56.731 56.100 0.037 0.000 0.988 232 R CB -0.037 30.278 30.300 0.025 0.000 0.871 232 R HN 0.309 nan 8.270 nan 0.000 0.458 233 I N 1.415 121.995 120.570 0.017 0.000 2.584 233 I HA -0.059 4.111 4.170 0.000 0.000 0.255 233 I C 2.418 178.576 176.117 0.069 0.000 1.145 233 I CA 0.822 62.136 61.300 0.023 0.000 1.462 233 I CB -1.072 36.920 38.000 -0.014 0.000 1.102 233 I HN 0.322 nan 8.210 nan 0.000 0.433 234 E N 1.134 121.361 120.200 0.044 0.000 2.106 234 E HA -0.169 4.181 4.350 0.000 0.000 0.192 234 E C 1.894 178.657 176.600 0.270 0.000 0.984 234 E CA 1.640 58.143 56.400 0.172 0.000 0.806 234 E CB 0.270 30.060 29.700 0.150 0.000 0.750 234 E HN 0.387 nan 8.360 nan 0.000 0.458 235 T N -0.098 114.587 114.554 0.219 0.000 2.622 235 T HA -0.143 4.207 4.350 0.000 0.000 0.266 235 T C 1.810 176.640 174.700 0.215 0.000 1.047 235 T CA 1.445 63.688 62.100 0.238 0.000 1.159 235 T CB -0.838 68.123 68.868 0.156 0.000 0.863 235 T HN 0.398 nan 8.240 nan 0.000 0.422 236 G N 0.956 109.847 108.800 0.152 0.000 2.475 236 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 236 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 236 G C 1.683 176.682 174.900 0.165 0.000 1.125 236 G CA 1.614 46.812 45.100 0.163 0.000 0.755 236 G HN 0.479 nan 8.290 nan 0.000 0.565 237 T N 0.745 115.362 114.554 0.105 0.000 2.777 237 T HA -0.028 4.322 4.350 0.000 0.000 0.266 237 T C 1.977 176.619 174.700 -0.097 0.000 1.040 237 T CA 0.874 62.955 62.100 -0.032 0.000 1.141 237 T CB -0.275 68.520 68.868 -0.123 0.000 0.868 237 T HN 0.224 nan 8.240 nan 0.000 0.444 238 F N 1.044 121.064 119.950 0.115 0.000 2.407 238 F HA 0.194 4.721 4.527 0.000 0.000 0.299 238 F C 1.968 177.810 175.800 0.071 0.000 1.097 238 F CA 0.237 58.283 58.000 0.078 0.000 1.422 238 F CB -0.652 38.398 39.000 0.084 0.000 1.067 238 F HN 0.101 nan 8.300 nan 0.000 0.539 239 L N -1.184 120.201 121.223 0.269 0.000 2.056 239 L HA -0.169 4.171 4.340 0.000 0.000 0.207 239 L C 2.357 179.302 176.870 0.125 0.000 1.078 239 L CA 0.622 55.574 54.840 0.188 0.000 0.749 239 L CB -0.895 41.275 42.059 0.184 0.000 0.901 239 L HN -0.075 nan 8.230 nan 0.000 0.433 240 V N 0.435 120.414 119.914 0.107 0.000 2.332 240 V HA -0.334 3.786 4.120 0.000 0.000 0.248 240 V C 2.859 178.954 176.094 0.002 0.000 1.055 240 V CA 1.812 64.116 62.300 0.007 0.000 1.038 240 V CB -1.028 30.788 31.823 -0.011 0.000 0.651 240 V HN 0.493 nan 8.190 nan 0.000 0.450 241 A N 0.202 123.043 122.820 0.036 0.000 1.903 241 A HA -0.278 4.042 4.320 0.000 0.000 0.219 241 A C 2.389 180.005 177.584 0.052 0.000 1.191 241 A CA 2.741 54.806 52.037 0.047 0.000 0.638 241 A CB -0.900 18.181 19.000 0.136 0.000 0.823 241 A HN 0.649 nan 8.150 nan 0.000 0.451 242 A N -0.933 121.935 122.820 0.080 0.000 2.014 242 A HA 0.329 4.649 4.320 0.000 0.000 0.218 242 A C 2.422 180.018 177.584 0.020 0.000 1.163 242 A CA 1.680 53.746 52.037 0.048 0.000 0.652 242 A CB -0.775 18.259 19.000 0.057 0.000 0.808 242 A HN 1.030 nan 8.150 nan 0.000 0.449 243 A N 1.021 123.847 122.820 0.011 0.000 1.873 243 A HA -0.064 4.256 4.320 0.000 0.000 0.215 243 A C 2.085 179.647 177.584 -0.037 0.000 1.186 243 A CA 1.402 53.430 52.037 -0.014 0.000 0.616 243 A CB -0.843 18.136 19.000 -0.036 0.000 0.823 243 A HN 0.937 nan 8.150 nan 0.000 0.442 244 I N -1.266 119.269 120.570 -0.060 0.000 2.567 244 I HA -0.128 4.042 4.170 0.000 0.000 0.257 244 I C 1.741 177.836 176.117 -0.036 0.000 1.184 244 I CA 1.808 63.071 61.300 -0.061 0.000 1.451 244 I CB -0.319 37.637 38.000 -0.074 0.000 1.089 244 I HN 0.300 nan 8.210 nan 0.000 0.441 245 S N 0.637 116.324 115.700 -0.020 0.000 2.582 245 S HA 0.308 4.778 4.470 0.000 0.000 0.234 245 S C 0.840 175.435 174.600 -0.008 0.000 0.961 245 S CA -0.657 57.536 58.200 -0.013 0.000 0.953 245 S CB -0.339 62.859 63.200 -0.005 0.000 0.800 245 S HN 0.585 nan 8.310 nan 0.000 0.471 246 R N -0.038 120.457 120.500 -0.008 0.000 3.627 246 R HA -0.146 4.194 4.340 0.000 0.000 0.281 246 R C 0.796 177.093 176.300 -0.006 0.000 1.140 246 R CA 0.477 56.575 56.100 -0.002 0.000 0.761 246 R CB -2.462 27.838 30.300 0.000 0.000 1.181 246 R HN 0.635 nan 8.270 nan 0.000 0.472 247 G N 0.763 109.559 108.800 -0.007 0.000 2.773 247 G HA2 0.567 4.527 3.960 0.000 0.000 0.186 247 G HA3 0.567 4.527 3.960 0.000 0.000 0.186 247 G C -0.288 174.594 174.900 -0.031 0.000 1.411 247 G CA 0.004 45.095 45.100 -0.016 0.000 1.054 247 G HN 0.203 nan 8.290 nan 0.000 0.579 248 K N -2.026 118.358 120.400 -0.027 0.000 2.598 248 K HA 0.665 4.985 4.320 0.000 0.000 0.271 248 K C -1.668 174.924 176.600 -0.012 0.000 0.947 248 K CA -0.778 55.490 56.287 -0.031 0.000 0.854 248 K CB 1.744 34.194 32.500 -0.083 0.000 1.401 248 K HN 0.653 nan 8.250 nan 0.000 0.415 249 I N 2.487 123.063 120.570 0.010 0.000 3.004 249 I HA 0.545 4.715 4.170 0.000 0.000 0.305 249 I C -1.790 174.351 176.117 0.038 0.000 1.312 249 I CA -1.327 59.982 61.300 0.015 0.000 0.992 249 I CB 1.813 39.833 38.000 0.034 0.000 1.282 249 I HN 0.787 nan 8.210 nan 0.000 0.449 250 I N 4.964 125.543 120.570 0.016 0.000 2.465 250 I HA 0.343 4.514 4.170 0.000 0.000 0.291 250 I C -0.789 175.361 176.117 0.055 0.000 1.014 250 I CA -0.631 60.705 61.300 0.060 0.000 1.093 250 I CB 1.667 39.670 38.000 0.005 0.000 1.267 250 I HN 0.426 nan 8.210 nan 0.000 0.431 251 C N 5.946 125.324 119.300 0.131 0.000 2.322 251 C HA 0.365 4.825 4.460 0.000 0.000 0.343 251 C C 0.879 175.968 174.990 0.165 0.000 1.190 251 C CA -0.589 58.502 59.018 0.122 0.000 1.704 251 C CB -1.204 26.627 27.740 0.150 0.000 2.293 251 C HN 0.714 nan 8.230 nan 0.000 0.523 252 R N 2.107 122.662 120.500 0.092 0.000 2.500 252 R HA 0.266 4.606 4.340 0.000 0.000 0.275 252 R C 0.492 176.846 176.300 0.091 0.000 1.051 252 R CA -0.192 55.971 56.100 0.105 0.000 1.088 252 R CB 0.279 30.603 30.300 0.040 0.000 1.063 252 R HN 0.828 nan 8.270 nan 0.000 0.511 253 N N -0.707 118.053 118.700 0.100 0.000 2.780 253 N HA -0.205 4.536 4.740 0.000 0.000 0.247 253 N C -1.328 174.221 175.510 0.066 0.000 1.076 253 N CA 0.241 53.332 53.050 0.069 0.000 0.688 253 N CB -0.465 38.048 38.487 0.044 0.000 0.957 253 N HN 0.639 nan 8.380 nan 0.000 0.551 254 A N 0.520 123.388 122.820 0.079 0.000 2.350 254 A HA 0.614 4.934 4.320 0.000 0.000 0.318 254 A C -0.141 177.458 177.584 0.025 0.000 1.132 254 A CA -0.394 51.679 52.037 0.059 0.000 0.811 254 A CB 1.595 20.641 19.000 0.076 0.000 1.313 254 A HN 0.279 nan 8.150 nan 0.000 0.454 255 Q N 0.853 120.662 119.800 0.015 0.000 2.607 255 Q HA 0.305 4.645 4.340 0.000 0.000 0.247 255 Q C -2.097 173.894 176.000 -0.014 0.000 1.033 255 Q CA -1.947 53.852 55.803 -0.005 0.000 0.769 255 Q CB 1.049 29.789 28.738 0.003 0.000 1.169 255 Q HN 0.433 nan 8.270 nan 0.000 0.508 256 P HA -0.257 nan 4.420 nan 0.000 0.218 256 P C 0.442 177.725 177.300 -0.030 0.000 1.152 256 P CA 1.958 65.024 63.100 -0.057 0.000 0.857 256 P CB 0.166 31.790 31.700 -0.126 0.000 0.787 257 D N -1.825 118.560 120.400 -0.024 0.000 2.350 257 D HA -0.113 4.527 4.640 0.000 0.000 0.216 257 D C 1.177 177.500 176.300 0.038 0.000 0.968 257 D CA 1.252 55.251 54.000 -0.002 0.000 0.894 257 D CB -1.124 39.677 40.800 0.002 0.000 0.909 257 D HN 0.200 nan 8.370 nan 0.000 0.520 258 T N -2.518 112.066 114.554 0.051 0.000 3.144 258 T HA 0.188 4.538 4.350 0.000 0.000 0.249 258 T C 1.201 175.962 174.700 0.103 0.000 1.089 258 T CA -0.139 62.031 62.100 0.117 0.000 0.989 258 T CB -0.159 68.751 68.868 0.070 0.000 0.992 258 T HN 0.238 nan 8.240 nan 0.000 0.540 259 L N 0.056 121.297 121.223 0.030 0.000 3.135 259 L HA 0.318 4.658 4.340 0.000 0.000 0.279 259 L C 1.048 177.900 176.870 -0.029 0.000 1.200 259 L CA -0.179 54.657 54.840 -0.007 0.000 1.016 259 L CB 0.495 42.561 42.059 0.012 0.000 1.391 259 L HN -0.007 nan 8.230 nan 0.000 0.588 260 D N 1.603 121.981 120.400 -0.038 0.000 2.170 260 D HA -0.274 4.366 4.640 0.000 0.000 0.193 260 D C 2.118 178.399 176.300 -0.031 0.000 1.004 260 D CA 1.885 55.862 54.000 -0.037 0.000 0.860 260 D CB 0.132 40.901 40.800 -0.051 0.000 0.931 260 D HN 0.407 nan 8.370 nan 0.000 0.448 261 A N 0.228 123.008 122.820 -0.066 0.000 1.968 261 A HA -0.050 4.270 4.320 0.000 0.000 0.217 261 A C 2.525 180.132 177.584 0.037 0.000 1.169 261 A CA 0.894 52.917 52.037 -0.022 0.000 0.638 261 A CB -0.452 18.519 19.000 -0.047 0.000 0.812 261 A HN 0.152 nan 8.150 nan 0.000 0.446 262 V N 0.558 120.448 119.914 -0.041 0.000 2.261 262 V HA -0.270 3.850 4.120 0.000 0.000 0.246 262 V C 2.557 178.737 176.094 0.144 0.000 1.047 262 V CA 1.951 64.271 62.300 0.033 0.000 1.015 262 V CB -0.977 30.826 31.823 -0.034 0.000 0.642 262 V HN 0.579 nan 8.190 nan 0.000 0.446 263 L N 0.384 121.664 121.223 0.095 0.000 2.051 263 L HA -0.269 4.071 4.340 0.000 0.000 0.214 263 L C 2.776 179.711 176.870 0.108 0.000 1.076 263 L CA 1.884 56.786 54.840 0.104 0.000 0.758 263 L CB -1.044 41.049 42.059 0.056 0.000 0.890 263 L HN 0.409 nan 8.230 nan 0.000 0.433 264 A N -0.106 122.763 122.820 0.082 0.000 1.908 264 A HA -0.245 4.076 4.320 0.000 0.000 0.218 264 A C 2.294 179.948 177.584 0.118 0.000 1.181 264 A CA 1.897 53.983 52.037 0.081 0.000 0.627 264 A CB -0.403 18.630 19.000 0.055 0.000 0.818 264 A HN 0.186 nan 8.150 nan 0.000 0.445 265 K N -0.357 120.138 120.400 0.159 0.000 2.209 265 K HA 0.043 4.364 4.320 0.000 0.000 0.204 265 K C 1.639 178.439 176.600 0.333 0.000 1.048 265 K CA 1.062 57.488 56.287 0.232 0.000 0.940 265 K CB -0.389 32.242 32.500 0.220 0.000 0.729 265 K HN 0.548 nan 8.250 nan 0.000 0.451 266 L N -0.910 120.507 121.223 0.324 0.000 2.249 266 L HA 0.028 4.368 4.340 0.000 0.000 0.207 266 L C 2.044 179.006 176.870 0.153 0.000 1.090 266 L CA 0.481 55.476 54.840 0.258 0.000 0.802 266 L CB -0.129 42.087 42.059 0.262 0.000 0.947 266 L HN 0.011 nan 8.230 nan 0.000 0.453 267 R N 0.239 120.819 120.500 0.133 0.000 2.170 267 R HA -0.176 4.164 4.340 0.000 0.000 0.242 267 R C 1.396 177.747 176.300 0.086 0.000 1.145 267 R CA 1.451 57.609 56.100 0.096 0.000 0.984 267 R CB -0.191 30.155 30.300 0.077 0.000 0.869 267 R HN 0.358 nan 8.270 nan 0.000 0.455 268 D N -0.739 119.722 120.400 0.102 0.000 2.327 268 D HA 0.053 4.693 4.640 0.000 0.000 0.205 268 D C 1.305 177.650 176.300 0.074 0.000 0.989 268 D CA 0.759 54.809 54.000 0.083 0.000 0.873 268 D CB 0.180 41.032 40.800 0.086 0.000 0.955 268 D HN 0.216 nan 8.370 nan 0.000 0.515 269 A N 0.180 123.051 122.820 0.085 0.000 2.206 269 A HA 0.363 4.683 4.320 0.000 0.000 0.211 269 A C 1.678 179.285 177.584 0.039 0.000 1.158 269 A CA 1.187 53.252 52.037 0.046 0.000 0.761 269 A CB -0.142 18.867 19.000 0.015 0.000 0.801 269 A HN 0.253 nan 8.150 nan 0.000 0.473 270 G N -2.571 106.262 108.800 0.055 0.000 2.143 270 G HA2 0.211 4.171 3.960 0.000 0.000 0.175 270 G HA3 0.211 4.171 3.960 0.000 0.000 0.175 270 G C 0.234 175.179 174.900 0.075 0.000 1.004 270 G CA 0.060 45.193 45.100 0.055 0.000 0.671 270 G HN 1.425 nan 8.290 nan 0.000 0.512 271 A N -0.079 122.791 122.820 0.084 0.000 2.316 271 A HA 0.641 4.961 4.320 0.000 0.000 0.284 271 A C 0.011 177.667 177.584 0.120 0.000 1.115 271 A CA 0.302 52.399 52.037 0.100 0.000 0.812 271 A CB 0.749 19.805 19.000 0.093 0.000 1.064 271 A HN 0.445 nan 8.150 nan 0.000 0.489 272 D N 1.660 122.151 120.400 0.152 0.000 2.456 272 D HA 0.447 5.088 4.640 0.000 0.000 0.219 272 D C -0.761 175.619 176.300 0.133 0.000 1.126 272 D CA 0.109 54.211 54.000 0.169 0.000 0.890 272 D CB -0.142 40.842 40.800 0.307 0.000 1.025 272 D HN 0.337 nan 8.370 nan 0.000 0.511 273 I N 2.869 123.506 120.570 0.112 0.000 2.336 273 I HA 0.293 4.463 4.170 0.000 0.000 0.292 273 I C 0.519 176.691 176.117 0.092 0.000 0.991 273 I CA -0.543 60.818 61.300 0.102 0.000 1.227 273 I CB 1.464 39.516 38.000 0.086 0.000 1.366 273 I HN 0.272 nan 8.210 nan 0.000 0.466 274 E N 5.432 125.707 120.200 0.126 0.000 2.244 274 E HA 0.703 5.053 4.350 0.000 0.000 0.266 274 E C -1.488 175.056 176.600 -0.094 0.000 0.914 274 E CA -0.780 55.680 56.400 0.100 0.000 0.794 274 E CB 2.829 32.691 29.700 0.269 0.000 1.210 274 E HN 0.416 nan 8.360 nan 0.000 0.414 275 V N 0.304 120.017 119.914 -0.335 0.000 2.760 275 V HA 0.924 5.044 4.120 0.000 0.000 0.309 275 V C -0.435 174.981 176.094 -1.131 0.000 1.077 275 V CA -0.192 61.626 62.300 -0.803 0.000 0.910 275 V CB 1.454 33.016 31.823 -0.435 0.000 1.008 275 V HN 0.691 nan 8.190 nan 0.000 0.424 276 G N 2.065 109.556 108.800 -2.181 0.000 3.016 276 G HA2 0.464 4.424 3.960 0.000 0.000 0.270 276 G HA3 0.464 4.424 3.960 0.000 0.000 0.270 276 G C 0.147 174.537 174.900 -0.849 0.000 1.352 276 G CA 0.198 44.491 45.100 -1.345 0.000 1.060 276 G HN 0.908 nan 8.290 nan 0.000 0.538 277 E N -0.537 119.452 120.200 -0.352 0.000 2.070 277 E HA -0.187 4.163 4.350 0.000 0.000 0.197 277 E C 0.695 177.232 176.600 -0.105 0.000 1.004 277 E CA 1.830 58.139 56.400 -0.151 0.000 0.805 277 E CB 0.133 29.823 29.700 -0.017 0.000 0.744 277 E HN 0.513 nan 8.360 nan 0.000 0.451 278 D N -1.317 119.079 120.400 -0.007 0.000 2.696 278 D HA 0.045 4.685 4.640 0.000 0.000 0.269 278 D C -0.305 176.092 176.300 0.161 0.000 1.319 278 D CA -0.462 53.574 54.000 0.059 0.000 0.826 278 D CB -0.689 40.168 40.800 0.095 0.000 1.086 278 D HN 0.235 nan 8.370 nan 0.000 0.481 279 W N -0.010 121.299 121.300 0.015 0.000 3.296 279 W HA 0.635 5.295 4.660 -0.000 0.000 0.314 279 W C -2.147 174.386 176.519 0.024 0.000 1.238 279 W CA -1.301 56.053 57.345 0.016 0.000 1.193 279 W CB 0.266 29.732 29.460 0.008 0.000 1.383 279 W HN -0.293 nan 8.180 nan 0.000 0.545 280 I N 3.027 123.757 120.570 0.265 0.000 2.647 280 I HA 0.423 4.593 4.170 0.000 0.000 0.295 280 I C -0.060 176.281 176.117 0.374 0.000 1.078 280 I CA -0.827 60.572 61.300 0.164 0.000 1.048 280 I CB 2.569 40.612 38.000 0.070 0.000 1.239 280 I HN 0.434 nan 8.210 nan 0.000 0.421 281 S N 6.207 122.141 115.700 0.391 0.000 2.513 281 S HA 0.828 5.298 4.470 0.000 0.000 0.299 281 S C -0.890 173.818 174.600 0.179 0.000 1.087 281 S CA -0.790 57.579 58.200 0.281 0.000 1.012 281 S CB 2.206 65.581 63.200 0.292 0.000 1.044 281 S HN 0.673 nan 8.310 nan 0.000 0.485 282 L N 1.527 122.824 121.223 0.124 0.000 2.365 282 L HA 0.727 5.068 4.340 0.000 0.000 0.273 282 L C -1.656 175.236 176.870 0.037 0.000 1.000 282 L CA -0.373 54.523 54.840 0.092 0.000 0.819 282 L CB 1.843 43.959 42.059 0.096 0.000 1.284 282 L HN 0.740 nan 8.230 nan 0.000 0.418 283 D N 5.051 125.460 120.400 0.014 0.000 2.549 283 D HA 0.262 4.902 4.640 0.000 0.000 0.251 283 D C 0.511 176.780 176.300 -0.050 0.000 1.153 283 D CA -0.421 53.509 54.000 -0.117 0.000 0.861 283 D CB 1.842 42.444 40.800 -0.329 0.000 1.207 283 D HN 0.627 nan 8.370 nan 0.000 0.543 284 M N 1.515 121.090 119.600 -0.042 0.000 2.562 284 M HA -0.022 4.458 4.480 0.000 0.000 0.257 284 M C 0.295 176.672 176.300 0.128 0.000 1.099 284 M CA 0.449 55.778 55.300 0.048 0.000 1.099 284 M CB -0.671 31.943 32.600 0.023 0.000 1.427 284 M HN 0.498 nan 8.290 nan 0.000 0.489 285 H N 0.199 119.282 119.070 0.021 0.000 2.692 285 H HA -0.185 4.372 4.556 0.000 0.000 0.316 285 H C 1.410 176.745 175.328 0.011 0.000 1.176 285 H CA 0.664 56.721 56.048 0.016 0.000 1.142 285 H CB -1.893 27.880 29.762 0.017 0.000 1.475 285 H HN 0.667 nan 8.280 nan 0.000 0.423 286 G N -0.603 108.230 108.800 0.055 0.000 2.347 286 G HA2 -0.342 3.618 3.960 0.000 0.000 0.247 286 G HA3 -0.342 3.618 3.960 0.000 0.000 0.247 286 G C 0.529 175.453 174.900 0.041 0.000 1.037 286 G CA 0.770 45.896 45.100 0.044 0.000 0.622 286 G HN 0.495 nan 8.290 nan 0.000 0.521 287 K N 0.714 121.151 120.400 0.061 0.000 2.138 287 K HA 0.451 4.771 4.320 0.000 0.000 0.251 287 K C 0.664 177.279 176.600 0.025 0.000 1.015 287 K CA -0.557 55.756 56.287 0.043 0.000 0.917 287 K CB 0.957 33.488 32.500 0.051 0.000 1.021 287 K HN 0.370 nan 8.250 nan 0.000 0.485 288 R N 2.290 122.798 120.500 0.014 0.000 2.410 288 R HA 0.193 4.533 4.340 0.000 0.000 0.288 288 R C -2.222 174.077 176.300 -0.002 0.000 1.051 288 R CA -1.523 54.577 56.100 -0.000 0.000 1.021 288 R CB 0.579 30.877 30.300 -0.004 0.000 1.032 288 R HN 0.382 nan 8.270 nan 0.000 0.481 289 P HA 0.025 nan 4.420 nan 0.000 0.270 289 P C -1.205 176.086 177.300 -0.015 0.000 1.223 289 P CA 0.029 63.116 63.100 -0.023 0.000 0.785 289 P CB 0.631 32.293 31.700 -0.063 0.000 0.923 290 K N 0.760 121.159 120.400 -0.002 0.000 2.156 290 K HA 0.475 4.795 4.320 0.000 0.000 0.271 290 K C 0.113 176.716 176.600 0.005 0.000 0.995 290 K CA -0.727 55.563 56.287 0.006 0.000 0.890 290 K CB 1.560 34.071 32.500 0.019 0.000 1.073 290 K HN 0.544 nan 8.250 nan 0.000 0.454 291 A N 2.411 125.237 122.820 0.009 0.000 2.567 291 A HA 0.195 4.515 4.320 0.000 0.000 0.240 291 A C 0.484 178.091 177.584 0.038 0.000 1.053 291 A CA -0.212 51.834 52.037 0.015 0.000 0.755 291 A CB -0.299 18.713 19.000 0.020 0.000 0.978 291 A HN 0.502 nan 8.150 nan 0.000 0.507 292 V N 1.040 120.985 119.914 0.052 0.000 3.096 292 V HA 0.583 4.703 4.120 0.000 0.000 0.319 292 V C -0.090 176.043 176.094 0.065 0.000 1.103 292 V CA -1.257 61.086 62.300 0.071 0.000 1.016 292 V CB 1.775 33.675 31.823 0.127 0.000 1.090 292 V HN 0.837 nan 8.190 nan 0.000 0.449 293 N N 0.313 119.035 118.700 0.036 0.000 2.417 293 N HA 0.670 5.411 4.740 0.000 0.000 0.274 293 N C -1.429 174.051 175.510 -0.050 0.000 0.987 293 N CA -0.473 52.588 53.050 0.018 0.000 0.912 293 N CB 2.219 40.702 38.487 -0.007 0.000 1.177 293 N HN 0.565 nan 8.380 nan 0.000 0.490 294 V N 2.718 122.578 119.914 -0.090 0.000 2.555 294 V HA 0.467 4.587 4.120 0.000 0.000 0.302 294 V C -0.135 175.900 176.094 -0.099 0.000 1.038 294 V CA -0.681 61.472 62.300 -0.245 0.000 0.887 294 V CB 1.775 33.268 31.823 -0.549 0.000 0.991 294 V HN 0.592 nan 8.190 nan 0.000 0.434 295 R N 2.260 122.719 120.500 -0.069 0.000 2.393 295 R HA 0.508 4.848 4.340 0.000 0.000 0.315 295 R C -0.029 176.325 176.300 0.090 0.000 0.952 295 R CA -0.489 55.626 56.100 0.024 0.000 0.842 295 R CB 2.004 32.323 30.300 0.031 0.000 1.163 295 R HN 0.890 nan 8.270 nan 0.000 0.450 296 T N -0.331 114.314 114.554 0.151 0.000 2.788 296 T HA 0.754 5.104 4.350 0.000 0.000 0.287 296 T C 0.315 175.089 174.700 0.125 0.000 1.007 296 T CA -0.403 61.835 62.100 0.230 0.000 1.005 296 T CB 1.624 70.645 68.868 0.256 0.000 1.012 296 T HN 0.740 nan 8.240 nan 0.000 0.530 297 A N 1.164 124.045 122.820 0.101 0.000 2.441 297 A HA 0.660 4.980 4.320 0.000 0.000 0.295 297 A C -3.223 174.380 177.584 0.032 0.000 0.992 297 A CA -1.458 50.605 52.037 0.044 0.000 0.603 297 A CB -0.171 18.852 19.000 0.038 0.000 1.385 297 A HN 0.691 nan 8.150 nan 0.000 0.470 298 P HA 0.427 nan 4.420 nan 0.000 0.276 298 P C -0.489 176.850 177.300 0.065 0.000 1.252 298 P CA -0.073 63.050 63.100 0.037 0.000 0.802 298 P CB 0.212 31.925 31.700 0.022 0.000 1.035 299 H N 2.323 121.380 119.070 -0.022 0.000 3.001 299 H HA 0.039 4.596 4.556 0.000 0.000 0.334 299 H C -1.331 173.988 175.328 -0.016 0.000 1.034 299 H CA -0.707 55.326 56.048 -0.026 0.000 1.420 299 H CB 0.387 30.133 29.762 -0.027 0.000 1.405 299 H HN 0.275 nan 8.280 nan 0.000 0.593 300 P HA 0.188 nan 4.420 nan 0.000 0.259 300 P C -0.413 176.682 177.300 -0.341 0.000 1.530 300 P CA 0.003 62.730 63.100 -0.622 0.000 1.022 300 P CB 0.183 31.606 31.700 -0.462 0.000 1.514 301 A N 0.473 123.209 122.820 -0.140 0.000 2.267 301 A HA 0.301 4.622 4.320 0.000 0.000 0.276 301 A C -0.247 177.303 177.584 -0.056 0.000 1.336 301 A CA -0.503 51.497 52.037 -0.060 0.000 0.815 301 A CB -0.602 18.403 19.000 0.009 0.000 1.256 301 A HN 0.169 nan 8.150 nan 0.000 0.512 302 F N 1.728 121.623 119.950 -0.090 0.000 2.541 302 F HA 0.312 4.839 4.527 0.000 0.000 0.378 302 F C -1.760 174.005 175.800 -0.058 0.000 1.068 302 F CA -2.020 55.915 58.000 -0.108 0.000 1.199 302 F CB 0.594 39.512 39.000 -0.138 0.000 1.091 302 F HN 0.196 nan 8.300 nan 0.000 0.555 303 P HA -0.045 nan 4.420 nan 0.000 0.270 303 P C 0.743 177.956 177.300 -0.144 0.000 1.242 303 P CA 0.196 63.115 63.100 -0.301 0.000 0.768 303 P CB 1.244 32.774 31.700 -0.284 0.000 0.820 304 T N 2.509 117.124 114.554 0.101 0.000 2.701 304 T HA -0.245 4.105 4.350 0.000 0.000 0.265 304 T C 1.077 175.878 174.700 0.169 0.000 1.032 304 T CA 2.149 64.374 62.100 0.207 0.000 1.158 304 T CB -0.615 68.428 68.868 0.291 0.000 0.854 304 T HN 0.395 nan 8.240 nan 0.000 0.463 305 D N -0.024 120.434 120.400 0.097 0.000 2.350 305 D HA 0.001 4.642 4.640 0.000 0.000 0.216 305 D C 1.624 177.956 176.300 0.053 0.000 0.968 305 D CA 0.613 54.653 54.000 0.067 0.000 0.894 305 D CB -0.063 40.764 40.800 0.045 0.000 0.909 305 D HN 0.468 nan 8.370 nan 0.000 0.520 306 M N 0.047 119.658 119.600 0.018 0.000 2.428 306 M HA 0.016 4.497 4.480 0.000 0.000 0.239 306 M C 1.800 178.335 176.300 0.392 0.000 1.121 306 M CA 0.208 55.586 55.300 0.130 0.000 1.019 306 M CB 0.101 32.646 32.600 -0.092 0.000 1.485 306 M HN -0.007 nan 8.290 nan 0.000 0.484 307 Q N 1.042 121.075 119.800 0.387 0.000 2.124 307 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 307 Q C 1.719 177.880 176.000 0.268 0.000 0.977 307 Q CA 1.927 57.982 55.803 0.421 0.000 0.850 307 Q CB 0.097 29.064 28.738 0.383 0.000 0.901 307 Q HN 0.491 nan 8.270 nan 0.000 0.429 308 A N 0.200 123.051 122.820 0.051 0.000 1.968 308 A HA -0.183 4.137 4.320 0.000 0.000 0.217 308 A C 1.928 179.386 177.584 -0.211 0.000 1.169 308 A CA 1.304 53.074 52.037 -0.444 0.000 0.638 308 A CB -0.231 18.373 19.000 -0.661 0.000 0.812 308 A HN 0.418 nan 8.150 nan 0.000 0.446 309 Q N -1.241 118.576 119.800 0.028 0.000 2.062 309 Q HA 0.032 4.372 4.340 0.000 0.000 0.196 309 Q C 1.600 177.668 176.000 0.114 0.000 0.967 309 Q CA 1.333 57.180 55.803 0.072 0.000 0.832 309 Q CB -0.416 28.403 28.738 0.135 0.000 0.899 309 Q HN 0.614 nan 8.270 nan 0.000 0.442 310 F N 0.740 120.744 119.950 0.091 0.000 2.250 310 F HA -0.207 4.320 4.527 0.000 0.000 0.301 310 F C 2.199 178.011 175.800 0.019 0.000 1.077 310 F CA 1.293 59.333 58.000 0.066 0.000 1.348 310 F CB -0.719 38.315 39.000 0.056 0.000 1.040 310 F HN 0.055 nan 8.300 nan 0.000 0.509 311 T N 0.440 115.101 114.554 0.178 0.000 2.652 311 T HA -0.235 4.116 4.350 0.000 0.000 0.267 311 T C 2.049 176.762 174.700 0.021 0.000 1.039 311 T CA 1.588 63.753 62.100 0.109 0.000 1.153 311 T CB -0.663 68.351 68.868 0.243 0.000 0.863 311 T HN 0.181 nan 8.240 nan 0.000 0.428 312 L N 1.056 122.273 121.223 -0.010 0.000 2.083 312 L HA 0.062 4.402 4.340 0.000 0.000 0.209 312 L C 2.162 178.979 176.870 -0.088 0.000 1.083 312 L CA 1.406 56.220 54.840 -0.044 0.000 0.752 312 L CB -0.784 41.242 42.059 -0.055 0.000 0.899 312 L HN 0.289 nan 8.230 nan 0.000 0.433 313 L N -0.428 120.705 121.223 -0.150 0.000 1.970 313 L HA -0.268 4.072 4.340 0.000 0.000 0.212 313 L C 2.305 179.082 176.870 -0.154 0.000 1.071 313 L CA 1.914 56.623 54.840 -0.218 0.000 0.751 313 L CB -0.676 41.103 42.059 -0.467 0.000 0.889 313 L HN 0.334 nan 8.230 nan 0.000 0.432 314 N N 0.189 118.812 118.700 -0.128 0.000 2.091 314 N HA -0.229 4.511 4.740 0.000 0.000 0.193 314 N C 1.671 177.136 175.510 -0.075 0.000 1.021 314 N CA 1.771 54.775 53.050 -0.077 0.000 0.862 314 N CB -0.546 37.913 38.487 -0.046 0.000 1.018 314 N HN 0.403 nan 8.380 nan 0.000 0.429 315 L N 0.416 121.594 121.223 -0.075 0.000 2.610 315 L HA 0.037 4.377 4.340 0.000 0.000 0.232 315 L C 0.924 177.740 176.870 -0.090 0.000 1.149 315 L CA 0.174 54.966 54.840 -0.080 0.000 0.872 315 L CB 0.074 42.092 42.059 -0.068 0.000 0.992 315 L HN 0.058 nan 8.230 nan 0.000 0.447 316 V N -4.833 115.033 119.914 -0.080 0.000 3.070 316 V HA 0.577 4.697 4.120 0.000 0.000 0.355 316 V C 0.442 176.500 176.094 -0.060 0.000 1.400 316 V CA -0.337 61.920 62.300 -0.072 0.000 1.170 316 V CB -0.032 31.749 31.823 -0.069 0.000 1.169 316 V HN 0.071 nan 8.190 nan 0.000 0.554 317 A N 0.086 122.872 122.820 -0.057 0.000 2.261 317 A HA 0.751 5.071 4.320 0.000 0.000 0.323 317 A C -0.037 177.535 177.584 -0.019 0.000 1.107 317 A CA -0.646 51.367 52.037 -0.041 0.000 0.883 317 A CB 1.010 19.982 19.000 -0.047 0.000 1.251 317 A HN 0.501 nan 8.150 nan 0.000 0.502 318 E N -0.220 119.976 120.200 -0.007 0.000 2.070 318 E HA 0.456 4.807 4.350 0.000 0.000 0.282 318 E C 0.310 176.922 176.600 0.020 0.000 1.104 318 E CA 0.844 57.248 56.400 0.008 0.000 0.876 318 E CB 0.065 29.771 29.700 0.011 0.000 1.055 318 E HN 1.267 nan 8.360 nan 0.000 0.401 319 G N 2.471 111.290 108.800 0.032 0.000 2.343 319 G HA2 -0.127 3.833 3.960 0.000 0.000 0.465 319 G HA3 -0.127 3.833 3.960 0.000 0.000 0.465 319 G C -0.736 174.195 174.900 0.052 0.000 1.282 319 G CA -0.852 44.278 45.100 0.050 0.000 0.996 319 G HN 0.344 nan 8.290 nan 0.000 0.521 320 T N 0.961 115.558 114.554 0.071 0.000 2.728 320 T HA 0.602 4.952 4.350 0.000 0.000 0.296 320 T C 0.710 175.440 174.700 0.051 0.000 0.940 320 T CA 0.564 62.672 62.100 0.015 0.000 1.013 320 T CB 1.248 70.156 68.868 0.067 0.000 0.912 320 T HN 1.355 nan 8.240 nan 0.000 0.484 321 G N 2.372 111.164 108.800 -0.013 0.000 2.343 321 G HA2 0.617 4.577 3.960 0.000 0.000 0.319 321 G HA3 0.617 4.577 3.960 0.000 0.000 0.319 321 G C -1.000 173.960 174.900 0.100 0.000 1.126 321 G CA -0.507 44.638 45.100 0.074 0.000 0.889 321 G HN 0.514 nan 8.290 nan 0.000 0.457 322 F N 1.101 121.005 119.950 -0.076 0.000 2.421 322 F HA 0.548 5.075 4.527 0.000 0.000 0.337 322 F C 0.524 176.298 175.800 -0.044 0.000 1.105 322 F CA -1.176 56.783 58.000 -0.069 0.000 1.049 322 F CB 1.917 40.892 39.000 -0.043 0.000 1.139 322 F HN 0.151 nan 8.300 nan 0.000 0.479 323 I N 2.691 123.355 120.570 0.156 0.000 2.411 323 I HA 0.235 4.405 4.170 0.000 0.000 0.284 323 I C -0.509 175.750 176.117 0.235 0.000 1.012 323 I CA -0.387 60.996 61.300 0.139 0.000 1.119 323 I CB 1.649 39.723 38.000 0.123 0.000 1.261 323 I HN 0.451 nan 8.210 nan 0.000 0.448 324 T N 4.488 119.163 114.554 0.203 0.000 2.743 324 T HA 0.177 4.527 4.350 0.000 0.000 0.293 324 T C -0.077 174.753 174.700 0.217 0.000 0.945 324 T CA -0.244 61.999 62.100 0.240 0.000 1.030 324 T CB 0.889 69.850 68.868 0.156 0.000 0.912 324 T HN 0.428 nan 8.240 nan 0.000 0.483 325 E N 2.248 122.591 120.200 0.238 0.000 2.194 325 E HA 0.285 4.635 4.350 0.000 0.000 0.284 325 E C 1.038 177.652 176.600 0.024 0.000 1.035 325 E CA -0.340 56.101 56.400 0.069 0.000 0.836 325 E CB 0.693 30.256 29.700 -0.229 0.000 1.070 325 E HN 0.662 nan 8.360 nan 0.000 0.401 326 T N 0.188 114.768 114.554 0.043 0.000 2.959 326 T HA 0.081 4.431 4.350 0.000 0.000 0.254 326 T C 1.397 176.080 174.700 -0.029 0.000 1.003 326 T CA 0.476 62.583 62.100 0.012 0.000 0.950 326 T CB -0.041 68.837 68.868 0.018 0.000 1.090 326 T HN 0.186 nan 8.240 nan 0.000 0.503 327 V N 0.333 120.223 119.914 -0.040 0.000 2.379 327 V HA 0.254 4.374 4.120 0.000 0.000 0.245 327 V C 0.474 176.366 176.094 -0.337 0.000 1.044 327 V CA 1.058 63.249 62.300 -0.182 0.000 1.036 327 V CB -0.574 31.138 31.823 -0.185 0.000 0.664 327 V HN 0.463 nan 8.190 nan 0.000 0.453 328 F N -0.034 119.888 119.950 -0.046 0.000 2.563 328 F HA 0.446 4.973 4.527 0.000 0.000 0.316 328 F C 0.743 176.476 175.800 -0.112 0.000 1.076 328 F CA -0.986 56.977 58.000 -0.062 0.000 0.921 328 F CB 1.539 40.504 39.000 -0.058 0.000 1.209 328 F HN -0.029 nan 8.300 nan 0.000 0.462 329 E N 0.548 120.838 120.200 0.150 0.000 2.499 329 E HA 0.102 4.452 4.350 0.000 0.000 0.199 329 E C -0.589 176.001 176.600 -0.017 0.000 1.016 329 E CA 0.166 56.577 56.400 0.018 0.000 0.933 329 E CB -0.033 29.679 29.700 0.020 0.000 1.050 329 E HN 0.552 nan 8.360 nan 0.000 0.462 330 N N 0.809 119.497 118.700 -0.019 0.000 2.651 330 N HA 0.149 4.889 4.740 0.000 0.000 0.277 330 N C -0.739 174.719 175.510 -0.086 0.000 1.787 330 N CA -0.173 52.848 53.050 -0.049 0.000 0.818 330 N CB 0.356 38.834 38.487 -0.015 0.000 1.316 330 N HN 0.003 nan 8.380 nan 0.000 0.503 331 R N 0.336 120.732 120.500 -0.174 0.000 2.700 331 R HA 0.293 4.633 4.340 0.000 0.000 0.377 331 R C -0.550 175.698 176.300 -0.086 0.000 1.130 331 R CA -0.003 56.014 56.100 -0.139 0.000 1.055 331 R CB 0.003 30.230 30.300 -0.121 0.000 1.387 331 R HN 0.083 nan 8.270 nan 0.000 0.580 332 F N -0.243 119.668 119.950 -0.065 0.000 2.855 332 F HA 0.270 4.797 4.527 0.000 0.000 0.317 332 F C 1.040 176.631 175.800 -0.349 0.000 1.169 332 F CA -0.420 57.396 58.000 -0.306 0.000 1.299 332 F CB 0.332 39.220 39.000 -0.187 0.000 0.962 332 F HN 0.005 nan 8.300 nan 0.000 0.506 333 M N -0.882 118.692 119.600 -0.044 0.000 2.595 333 M HA -0.061 4.419 4.480 0.000 0.000 0.248 333 M C 2.003 178.269 176.300 -0.056 0.000 1.119 333 M CA 0.852 56.125 55.300 -0.045 0.000 1.079 333 M CB -0.528 32.064 32.600 -0.014 0.000 1.472 333 M HN 0.352 nan 8.290 nan 0.000 0.501 334 H N -1.413 117.683 119.070 0.044 0.000 2.395 334 H HA 0.011 4.567 4.556 0.000 0.000 0.299 334 H C 1.841 177.176 175.328 0.011 0.000 1.070 334 H CA 0.981 57.037 56.048 0.014 0.000 1.356 334 H CB -1.030 28.744 29.762 0.019 0.000 1.401 334 H HN 0.038 nan 8.280 nan 0.000 0.524 335 V N 2.310 122.005 119.914 -0.365 0.000 2.222 335 V HA -0.253 3.867 4.120 0.000 0.000 0.252 335 V C -0.148 175.900 176.094 -0.077 0.000 1.060 335 V CA 2.674 64.865 62.300 -0.182 0.000 1.027 335 V CB -1.402 30.256 31.823 -0.276 0.000 0.644 335 V HN 0.519 nan 8.190 nan 0.000 0.448 336 P HA -0.126 nan 4.420 nan 0.000 0.225 336 P C 1.236 178.528 177.300 -0.014 0.000 1.148 336 P CA 1.229 64.309 63.100 -0.033 0.000 0.779 336 P CB -0.006 31.677 31.700 -0.028 0.000 0.780 337 E N -0.029 120.166 120.200 -0.008 0.000 2.122 337 E HA 0.009 4.360 4.350 0.000 0.000 0.190 337 E C 2.305 178.911 176.600 0.010 0.000 0.977 337 E CA 0.556 56.958 56.400 0.004 0.000 0.820 337 E CB -0.668 29.036 29.700 0.007 0.000 0.770 337 E HN 0.344 nan 8.360 nan 0.000 0.462 338 L N 1.094 122.330 121.223 0.021 0.000 2.017 338 L HA -0.157 4.183 4.340 0.000 0.000 0.208 338 L C 2.460 179.332 176.870 0.003 0.000 1.073 338 L CA 1.072 55.922 54.840 0.016 0.000 0.745 338 L CB -0.496 41.586 42.059 0.037 0.000 0.894 338 L HN 0.024 nan 8.230 nan 0.000 0.432 339 S N -0.098 115.603 115.700 0.002 0.000 2.402 339 S HA -0.218 4.252 4.470 0.000 0.000 0.233 339 S C 1.900 176.510 174.600 0.016 0.000 1.030 339 S CA 1.366 59.575 58.200 0.014 0.000 1.003 339 S CB -0.329 62.879 63.200 0.012 0.000 0.813 339 S HN 0.420 nan 8.310 nan 0.000 0.477 340 R N 0.584 121.089 120.500 0.008 0.000 2.276 340 R HA 0.208 4.548 4.340 0.000 0.000 0.203 340 R C 1.341 177.645 176.300 0.007 0.000 1.017 340 R CA 0.629 56.734 56.100 0.009 0.000 1.010 340 R CB -0.229 30.074 30.300 0.006 0.000 0.900 340 R HN 0.437 nan 8.270 nan 0.000 0.469 341 M N -0.312 119.290 119.600 0.003 0.000 2.571 341 M HA 0.232 4.712 4.480 0.000 0.000 0.235 341 M C 0.643 176.937 176.300 -0.009 0.000 1.216 341 M CA 0.372 55.670 55.300 -0.003 0.000 0.979 341 M CB 1.081 33.676 32.600 -0.007 0.000 1.616 341 M HN 0.418 nan 8.290 nan 0.000 0.469 342 G N 0.194 108.996 108.800 0.004 0.000 2.218 342 G HA2 -0.176 3.784 3.960 0.000 0.000 0.216 342 G HA3 -0.176 3.784 3.960 0.000 0.000 0.216 342 G C 0.250 175.128 174.900 -0.037 0.000 0.994 342 G CA -0.152 44.947 45.100 -0.001 0.000 0.637 342 G HN 0.657 nan 8.290 nan 0.000 0.505 343 A N 0.528 123.327 122.820 -0.035 0.000 2.346 343 A HA 0.644 4.964 4.320 0.000 0.000 0.252 343 A C 0.010 177.639 177.584 0.076 0.000 1.089 343 A CA 0.000 51.985 52.037 -0.087 0.000 0.797 343 A CB 0.190 19.159 19.000 -0.053 0.000 1.047 343 A HN 0.600 nan 8.150 nan 0.000 0.494 344 H N 0.107 119.185 119.070 0.014 0.000 2.786 344 H HA 0.620 5.177 4.556 0.000 0.000 0.284 344 H C -0.306 175.068 175.328 0.077 0.000 1.104 344 H CA -0.242 55.836 56.048 0.051 0.000 1.339 344 H CB 0.632 30.443 29.762 0.082 0.000 1.427 344 H HN 0.792 nan 8.280 nan 0.000 0.497 345 A N 2.543 125.437 122.820 0.124 0.000 2.355 345 A HA 0.484 4.804 4.320 0.000 0.000 0.317 345 A C -0.263 177.306 177.584 -0.025 0.000 1.094 345 A CA -0.840 51.185 52.037 -0.019 0.000 0.764 345 A CB 1.679 20.619 19.000 -0.101 0.000 1.230 345 A HN 0.644 nan 8.150 nan 0.000 0.448 346 E N 2.845 123.001 120.200 -0.074 0.000 2.151 346 E HA 0.556 4.906 4.350 0.000 0.000 0.275 346 E C -1.161 175.347 176.600 -0.152 0.000 0.936 346 E CA -0.469 55.885 56.400 -0.077 0.000 0.777 346 E CB 0.800 30.482 29.700 -0.030 0.000 1.108 346 E HN 0.598 nan 8.360 nan 0.000 0.401 347 I N 3.634 124.129 120.570 -0.124 0.000 2.440 347 I HA 0.222 4.392 4.170 0.000 0.000 0.294 347 I C -0.061 176.030 176.117 -0.044 0.000 0.995 347 I CA -0.358 60.864 61.300 -0.131 0.000 1.306 347 I CB 1.288 39.217 38.000 -0.119 0.000 1.407 347 I HN 0.507 nan 8.210 nan 0.000 0.501 348 E N 4.861 125.053 120.200 -0.013 0.000 2.316 348 E HA 0.328 4.678 4.350 0.000 0.000 0.254 348 E C -0.303 176.347 176.600 0.085 0.000 0.902 348 E CA -0.229 56.192 56.400 0.035 0.000 0.801 348 E CB 1.785 31.508 29.700 0.038 0.000 1.270 348 E HN 0.735 nan 8.360 nan 0.000 0.414 349 S N 3.432 119.186 115.700 0.091 0.000 3.736 349 S HA -0.348 4.122 4.470 0.000 0.000 0.627 349 S C 0.936 175.641 174.600 0.177 0.000 2.426 349 S CA 2.008 60.273 58.200 0.109 0.000 4.022 349 S CB -1.112 62.140 63.200 0.087 0.000 0.237 349 S HN 0.975 nan 8.310 nan 0.000 0.967 350 N N 0.462 119.260 118.700 0.165 0.000 2.567 350 N HA 0.107 4.847 4.740 0.000 0.000 0.195 350 N C -0.027 175.728 175.510 0.408 0.000 1.242 350 N CA 0.755 53.948 53.050 0.239 0.000 0.884 350 N CB -0.337 38.222 38.487 0.119 0.000 1.007 350 N HN 0.403 nan 8.380 nan 0.000 0.450 351 T N 0.446 115.185 114.554 0.309 0.000 2.823 351 T HA 0.259 4.609 4.350 0.000 0.000 0.279 351 T C -0.660 174.021 174.700 -0.032 0.000 0.998 351 T CA -0.688 61.563 62.100 0.252 0.000 0.994 351 T CB 2.644 71.645 68.868 0.220 0.000 0.960 351 T HN -0.046 nan 8.240 nan 0.000 0.448 352 V N 5.499 125.229 119.914 -0.306 0.000 2.350 352 V HA 0.443 4.563 4.120 0.000 0.000 0.276 352 V C -0.222 175.643 176.094 -0.382 0.000 1.028 352 V CA -0.895 61.084 62.300 -0.535 0.000 0.860 352 V CB -0.093 31.168 31.823 -0.937 0.000 0.990 352 V HN 0.752 nan 8.190 nan 0.000 0.453 353 I N 6.572 126.869 120.570 -0.455 0.000 2.471 353 I HA 0.284 4.454 4.170 0.000 0.000 0.286 353 I C -0.195 175.545 176.117 -0.628 0.000 1.079 353 I CA -0.030 60.845 61.300 -0.708 0.000 1.398 353 I CB 0.507 38.029 38.000 -0.798 0.000 1.403 353 I HN 0.478 nan 8.210 nan 0.000 0.530 354 C N 5.823 124.722 119.300 -0.668 0.000 2.346 354 C HA 0.343 4.804 4.460 0.000 0.000 0.326 354 C C 0.018 174.689 174.990 -0.532 0.000 1.224 354 C CA -0.679 58.053 59.018 -0.476 0.000 1.408 354 C CB 0.257 27.856 27.740 -0.236 0.000 2.089 354 C HN 0.635 nan 8.230 nan 0.000 0.456 355 H N 1.742 120.784 119.070 -0.048 0.000 2.741 355 H HA 0.244 4.800 4.556 0.000 0.000 0.282 355 H C 0.794 176.106 175.328 -0.027 0.000 1.122 355 H CA -0.006 56.041 56.048 -0.002 0.000 1.293 355 H CB 0.892 30.697 29.762 0.071 0.000 1.415 355 H HN 0.937 nan 8.280 nan 0.000 0.472 356 G N 3.162 111.980 108.800 0.030 0.000 2.192 356 G HA2 0.183 4.143 3.960 0.000 0.000 0.258 356 G HA3 0.183 4.143 3.960 0.000 0.000 0.258 356 G C 0.737 175.611 174.900 -0.043 0.000 1.185 356 G CA -0.226 44.862 45.100 -0.021 0.000 0.976 356 G HN 0.495 nan 8.290 nan 0.000 0.446 357 V N 0.883 120.718 119.914 -0.131 0.000 2.863 357 V HA 0.483 4.603 4.120 0.000 0.000 0.307 357 V C 1.154 177.197 176.094 -0.085 0.000 1.061 357 V CA -0.633 61.583 62.300 -0.140 0.000 1.024 357 V CB 2.082 33.740 31.823 -0.274 0.000 1.049 357 V HN 0.676 nan 8.190 nan 0.000 0.471 358 E N 1.089 121.254 120.200 -0.058 0.000 2.152 358 E HA 0.021 4.371 4.350 0.000 0.000 0.192 358 E C 0.454 177.028 176.600 -0.042 0.000 0.983 358 E CA 0.897 57.273 56.400 -0.039 0.000 0.818 358 E CB 0.343 30.030 29.700 -0.022 0.000 0.758 358 E HN 0.744 nan 8.360 nan 0.000 0.467 359 K N -0.293 120.077 120.400 -0.050 0.000 2.532 359 K HA 0.383 4.703 4.320 0.000 0.000 0.265 359 K C -1.389 175.178 176.600 -0.054 0.000 0.948 359 K CA -0.570 55.690 56.287 -0.045 0.000 0.842 359 K CB 1.446 33.928 32.500 -0.029 0.000 1.392 359 K HN -0.081 nan 8.250 nan 0.000 0.436 360 L N 1.872 123.067 121.223 -0.046 0.000 2.325 360 L HA 0.438 4.779 4.340 0.000 0.000 0.278 360 L C -0.272 176.582 176.870 -0.027 0.000 1.023 360 L CA -0.817 53.997 54.840 -0.044 0.000 0.811 360 L CB 2.094 44.128 42.059 -0.042 0.000 1.249 360 L HN 0.602 nan 8.230 nan 0.000 0.431 361 S N 0.677 116.365 115.700 -0.020 0.000 2.525 361 S HA 0.413 4.883 4.470 0.000 0.000 0.278 361 S C 0.369 174.965 174.600 -0.007 0.000 1.234 361 S CA -0.723 57.470 58.200 -0.011 0.000 1.058 361 S CB 1.461 64.659 63.200 -0.004 0.000 0.983 361 S HN 0.770 nan 8.310 nan 0.000 0.495 362 G N 1.115 109.912 108.800 -0.005 0.000 2.380 362 G HA2 0.478 4.438 3.960 0.000 0.000 0.242 362 G HA3 0.478 4.438 3.960 0.000 0.000 0.242 362 G C -0.191 174.710 174.900 0.002 0.000 1.298 362 G CA -0.023 45.076 45.100 -0.001 0.000 0.878 362 G HN 0.991 nan 8.290 nan 0.000 0.542 363 A N 1.896 124.719 122.820 0.005 0.000 2.583 363 A HA 0.773 5.093 4.320 0.000 0.000 0.289 363 A C -0.420 177.172 177.584 0.012 0.000 1.151 363 A CA -0.770 51.272 52.037 0.008 0.000 0.695 363 A CB 1.382 20.386 19.000 0.006 0.000 1.290 363 A HN 0.971 nan 8.150 nan 0.000 0.419 364 Q N 0.493 120.300 119.800 0.012 0.000 2.368 364 Q HA 0.607 4.947 4.340 0.000 0.000 0.256 364 Q C -0.591 175.415 176.000 0.011 0.000 0.980 364 Q CA -0.697 55.115 55.803 0.015 0.000 0.887 364 Q CB 1.023 29.772 28.738 0.018 0.000 1.221 364 Q HN 1.094 nan 8.270 nan 0.000 0.458 365 V N 0.450 120.369 119.914 0.009 0.000 3.103 365 V HA 0.707 4.827 4.120 0.000 0.000 0.318 365 V C -0.501 175.588 176.094 -0.008 0.000 1.114 365 V CA -1.271 61.030 62.300 0.001 0.000 1.020 365 V CB 2.017 33.840 31.823 -0.001 0.000 1.085 365 V HN 0.968 nan 8.190 nan 0.000 0.446 366 M N 2.328 121.916 119.600 -0.019 0.000 2.326 366 M HA 0.756 5.236 4.480 0.000 0.000 0.306 366 M C -0.083 176.169 176.300 -0.081 0.000 1.054 366 M CA -0.717 54.562 55.300 -0.037 0.000 0.922 366 M CB 1.752 34.340 32.600 -0.020 0.000 1.632 366 M HN 1.147 nan 8.290 nan 0.000 0.436 367 A N 2.470 125.209 122.820 -0.134 0.000 2.492 367 A HA 0.347 4.667 4.320 0.000 0.000 0.254 367 A C 0.915 178.273 177.584 -0.376 0.000 1.091 367 A CA 0.238 52.108 52.037 -0.279 0.000 0.768 367 A CB -0.245 18.548 19.000 -0.345 0.000 1.028 367 A HN 0.948 nan 8.150 nan 0.000 0.498 368 T N -0.963 113.353 114.554 -0.397 0.000 2.990 368 T HA 0.249 4.599 4.350 0.000 0.000 0.250 368 T C 0.240 174.644 174.700 -0.493 0.000 1.041 368 T CA 0.682 62.580 62.100 -0.336 0.000 1.010 368 T CB -0.268 68.523 68.868 -0.130 0.000 1.003 368 T HN 0.840 nan 8.240 nan 0.000 0.499 369 D N -0.484 119.487 120.400 -0.715 0.000 2.792 369 D HA 0.111 4.751 4.640 0.000 0.000 0.335 369 D C 0.578 176.732 176.300 -0.242 0.000 1.353 369 D CA -0.728 53.038 54.000 -0.391 0.000 0.839 369 D CB 1.209 41.924 40.800 -0.142 0.000 1.396 369 D HN -0.024 nan 8.370 nan 0.000 0.479 370 L N 0.979 122.195 121.223 -0.013 0.000 1.961 370 L HA -0.066 4.274 4.340 0.000 0.000 0.210 370 L C 2.364 179.267 176.870 0.055 0.000 1.072 370 L CA 1.833 56.706 54.840 0.055 0.000 0.749 370 L CB -0.844 41.258 42.059 0.071 0.000 0.889 370 L HN 0.374 nan 8.230 nan 0.000 0.432 371 R N 0.601 121.125 120.500 0.040 0.000 2.081 371 R HA -0.027 4.313 4.340 0.000 0.000 0.235 371 R C 2.261 178.530 176.300 -0.052 0.000 1.131 371 R CA 1.368 57.492 56.100 0.040 0.000 0.960 371 R CB -1.953 28.367 30.300 0.034 0.000 0.856 371 R HN 0.544 nan 8.270 nan 0.000 0.436 372 A N 1.944 124.720 122.820 -0.073 0.000 1.896 372 A HA -0.295 4.025 4.320 0.000 0.000 0.220 372 A C 2.460 179.975 177.584 -0.116 0.000 1.206 372 A CA 3.052 55.041 52.037 -0.081 0.000 0.647 372 A CB -0.984 17.982 19.000 -0.057 0.000 0.828 372 A HN 0.545 nan 8.150 nan 0.000 0.455 373 S N 0.034 115.636 115.700 -0.163 0.000 2.383 373 S HA -0.005 4.466 4.470 0.000 0.000 0.229 373 S C 2.088 176.595 174.600 -0.154 0.000 1.030 373 S CA 1.637 59.734 58.200 -0.173 0.000 1.002 373 S CB -0.807 62.275 63.200 -0.197 0.000 0.829 373 S HN 1.108 nan 8.310 nan 0.000 0.467 374 A N 1.732 124.452 122.820 -0.168 0.000 1.902 374 A HA 0.013 4.333 4.320 0.000 0.000 0.217 374 A C 2.486 179.943 177.584 -0.212 0.000 1.181 374 A CA 1.816 53.670 52.037 -0.304 0.000 0.623 374 A CB -1.336 17.355 19.000 -0.516 0.000 0.818 374 A HN 0.559 nan 8.150 nan 0.000 0.443 375 S N 0.123 115.732 115.700 -0.151 0.000 2.359 375 S HA -0.175 4.295 4.470 0.000 0.000 0.223 375 S C 1.823 176.373 174.600 -0.083 0.000 1.039 375 S CA 1.680 59.809 58.200 -0.118 0.000 1.042 375 S CB -0.574 62.544 63.200 -0.136 0.000 0.915 375 S HN 0.519 nan 8.310 nan 0.000 0.439 376 L N 1.081 122.263 121.223 -0.069 0.000 2.127 376 L HA -0.102 4.238 4.340 0.000 0.000 0.211 376 L C 2.274 179.130 176.870 -0.022 0.000 1.089 376 L CA 0.860 55.677 54.840 -0.038 0.000 0.757 376 L CB -0.714 41.323 42.059 -0.037 0.000 0.899 376 L HN 0.227 nan 8.230 nan 0.000 0.434 377 V N -0.555 119.342 119.914 -0.029 0.000 2.379 377 V HA -0.238 3.882 4.120 0.000 0.000 0.245 377 V C 2.380 178.469 176.094 -0.008 0.000 1.044 377 V CA 1.084 63.401 62.300 0.029 0.000 1.036 377 V CB -0.250 31.634 31.823 0.103 0.000 0.664 377 V HN 0.225 nan 8.190 nan 0.000 0.453 378 L N 0.637 121.825 121.223 -0.057 0.000 2.012 378 L HA -0.137 4.203 4.340 0.000 0.000 0.210 378 L C 2.630 179.477 176.870 -0.038 0.000 1.073 378 L CA 2.309 57.116 54.840 -0.056 0.000 0.748 378 L CB -1.234 40.772 42.059 -0.088 0.000 0.891 378 L HN 0.294 nan 8.230 nan 0.000 0.431 379 A N -0.701 122.096 122.820 -0.039 0.000 1.908 379 A HA -0.159 4.161 4.320 0.000 0.000 0.218 379 A C 2.357 179.930 177.584 -0.019 0.000 1.181 379 A CA 1.818 53.838 52.037 -0.029 0.000 0.627 379 A CB -1.366 17.619 19.000 -0.024 0.000 0.818 379 A HN 0.461 nan 8.150 nan 0.000 0.445 380 G N -1.504 107.291 108.800 -0.008 0.000 2.484 380 G HA2 -0.130 3.830 3.960 0.000 0.000 0.218 380 G HA3 -0.130 3.830 3.960 0.000 0.000 0.218 380 G C 1.438 176.333 174.900 -0.008 0.000 1.130 380 G CA 1.069 46.167 45.100 -0.002 0.000 0.784 380 G HN 0.524 nan 8.290 nan 0.000 0.543 381 C N 0.966 120.259 119.300 -0.011 0.000 2.413 381 C HA -0.078 4.382 4.460 0.000 0.000 0.276 381 C C 2.799 177.780 174.990 -0.015 0.000 1.248 381 C CA 1.004 60.013 59.018 -0.015 0.000 1.742 381 C CB -0.919 26.815 27.740 -0.011 0.000 2.017 381 C HN 0.679 nan 8.230 nan 0.000 0.481 382 I N -0.008 120.551 120.570 -0.018 0.000 3.059 382 I HA 0.246 4.417 4.170 0.000 0.000 0.270 382 I C 1.337 177.442 176.117 -0.020 0.000 1.238 382 I CA 0.385 61.673 61.300 -0.020 0.000 1.478 382 I CB -0.539 37.446 38.000 -0.025 0.000 1.097 382 I HN 0.149 nan 8.210 nan 0.000 0.455 383 A N 1.770 124.579 122.820 -0.018 0.000 2.346 383 A HA 0.167 4.487 4.320 0.000 0.000 0.255 383 A C 0.080 177.656 177.584 -0.014 0.000 1.113 383 A CA -0.107 51.920 52.037 -0.017 0.000 0.798 383 A CB 0.083 19.075 19.000 -0.013 0.000 1.073 383 A HN 0.472 nan 8.150 nan 0.000 0.502 384 E N -0.381 119.811 120.200 -0.013 0.000 2.089 384 E HA 0.484 4.834 4.350 0.000 0.000 0.284 384 E C 0.618 177.214 176.600 -0.007 0.000 1.023 384 E CA 1.082 57.476 56.400 -0.010 0.000 0.819 384 E CB -0.159 29.536 29.700 -0.009 0.000 1.076 384 E HN 1.634 nan 8.360 nan 0.000 0.396 385 G N 3.260 112.056 108.800 -0.007 0.000 2.475 385 G HA2 -0.190 3.771 3.960 0.000 0.000 0.223 385 G HA3 -0.190 3.771 3.960 0.000 0.000 0.223 385 G C -0.500 174.398 174.900 -0.003 0.000 1.201 385 G CA -0.302 44.796 45.100 -0.004 0.000 0.962 385 G HN 0.609 nan 8.290 nan 0.000 0.586 386 T N 1.726 116.280 114.554 0.000 0.000 2.756 386 T HA 0.639 4.989 4.350 0.000 0.000 0.290 386 T C -0.022 174.684 174.700 0.009 0.000 0.985 386 T CA 0.371 62.473 62.100 0.004 0.000 0.955 386 T CB 1.270 70.142 68.868 0.006 0.000 0.930 386 T HN 0.710 nan 8.240 nan 0.000 0.451 387 T N 3.238 117.800 114.554 0.013 0.000 2.795 387 T HA 0.499 4.849 4.350 0.000 0.000 0.282 387 T C -0.181 174.542 174.700 0.038 0.000 0.980 387 T CA -0.505 61.608 62.100 0.022 0.000 1.012 387 T CB 1.084 69.965 68.868 0.020 0.000 0.936 387 T HN 0.285 nan 8.240 nan 0.000 0.457 388 V N 4.254 124.192 119.914 0.039 0.000 2.378 388 V HA 0.274 4.394 4.120 0.000 0.000 0.288 388 V C -0.012 176.113 176.094 0.051 0.000 1.016 388 V CA -0.824 61.510 62.300 0.057 0.000 0.840 388 V CB 1.675 33.526 31.823 0.048 0.000 0.994 388 V HN 0.749 nan 8.190 nan 0.000 0.431 389 V N 4.119 124.076 119.914 0.072 0.000 2.356 389 V HA 0.189 4.309 4.120 0.000 0.000 0.258 389 V C 0.337 176.434 176.094 0.006 0.000 1.065 389 V CA -0.278 62.040 62.300 0.030 0.000 0.935 389 V CB 0.698 32.537 31.823 0.026 0.000 1.061 389 V HN 0.835 nan 8.190 nan 0.000 0.484 390 D N 4.246 124.647 120.400 0.002 0.000 2.362 390 D HA 0.261 4.901 4.640 0.000 0.000 0.242 390 D C 0.835 177.122 176.300 -0.023 0.000 1.132 390 D CA -0.081 53.923 54.000 0.007 0.000 0.907 390 D CB 0.432 41.246 40.800 0.025 0.000 1.195 390 D HN 0.522 nan 8.370 nan 0.000 0.429 391 R N 1.677 122.187 120.500 0.017 0.000 3.261 391 R HA -0.202 4.138 4.340 0.000 0.000 0.257 391 R C 0.617 176.805 176.300 -0.186 0.000 1.014 391 R CA -0.056 56.043 56.100 -0.003 0.000 0.681 391 R CB -2.051 28.247 30.300 -0.002 0.000 1.155 391 R HN 0.393 nan 8.270 nan 0.000 0.424 392 I N 1.043 121.518 120.570 -0.158 0.000 3.334 392 I HA -0.164 4.006 4.170 0.000 0.000 0.282 392 I C 2.083 178.052 176.117 -0.247 0.000 1.313 392 I CA 0.518 61.618 61.300 -0.334 0.000 1.396 392 I CB -0.315 37.295 38.000 -0.650 0.000 1.054 392 I HN 0.436 nan 8.210 nan 0.000 0.495 393 Y N -0.495 119.757 120.300 -0.080 0.000 2.193 393 Y HA -0.321 4.229 4.550 0.000 0.000 0.285 393 Y C 2.199 178.073 175.900 -0.044 0.000 1.166 393 Y CA 1.939 59.991 58.100 -0.080 0.000 1.181 393 Y CB -1.781 36.616 38.460 -0.104 0.000 0.976 393 Y HN 0.314 nan 8.280 nan 0.000 0.520 394 H N 0.100 118.764 119.070 -0.677 0.000 2.422 394 H HA -0.131 4.425 4.556 0.000 0.000 0.298 394 H C 2.232 177.499 175.328 -0.102 0.000 1.098 394 H CA 1.946 57.797 56.048 -0.328 0.000 1.315 394 H CB -0.335 29.198 29.762 -0.381 0.000 1.382 394 H HN 0.494 nan 8.280 nan 0.000 0.523 395 I N 0.483 121.060 120.570 0.012 0.000 2.286 395 I HA -0.252 3.918 4.170 0.000 0.000 0.248 395 I C 1.268 177.499 176.117 0.189 0.000 1.115 395 I CA 1.251 62.606 61.300 0.093 0.000 1.392 395 I CB 0.001 37.956 38.000 -0.075 0.000 1.065 395 I HN 0.292 nan 8.210 nan 0.000 0.418 396 D N 0.768 121.232 120.400 0.106 0.000 2.311 396 D HA -0.196 4.444 4.640 0.000 0.000 0.212 396 D C 2.008 178.369 176.300 0.102 0.000 0.972 396 D CA 0.949 55.019 54.000 0.117 0.000 0.887 396 D CB -0.159 40.701 40.800 0.100 0.000 0.915 396 D HN 0.503 nan 8.370 nan 0.000 0.497 397 R N -0.161 120.399 120.500 0.100 0.000 2.235 397 R HA 0.081 4.421 4.340 0.000 0.000 0.213 397 R C 1.910 178.219 176.300 0.015 0.000 1.059 397 R CA 1.027 57.165 56.100 0.064 0.000 0.997 397 R CB 0.118 30.459 30.300 0.068 0.000 0.884 397 R HN 0.087 nan 8.270 nan 0.000 0.462 398 G N -1.109 107.677 108.800 -0.024 0.000 3.581 398 G HA2 0.085 4.045 3.960 0.000 0.000 0.248 398 G HA3 0.085 4.045 3.960 0.000 0.000 0.248 398 G C -0.586 174.010 174.900 -0.507 0.000 1.037 398 G CA -0.260 44.696 45.100 -0.241 0.000 0.902 398 G HN 0.111 nan 8.290 nan 0.000 0.512 399 Y N 1.373 121.703 120.300 0.049 0.000 2.594 399 Y HA 0.398 4.948 4.550 0.000 0.000 0.338 399 Y C 0.150 176.109 175.900 0.099 0.000 1.019 399 Y CA -1.395 56.749 58.100 0.074 0.000 1.306 399 Y CB 0.964 39.458 38.460 0.056 0.000 1.094 399 Y HN 0.085 nan 8.280 nan 0.000 0.534 400 E N 4.065 124.381 120.200 0.193 0.000 2.415 400 E HA 0.040 4.390 4.350 0.000 0.000 0.263 400 E C 0.301 177.016 176.600 0.190 0.000 0.995 400 E CA 0.016 56.509 56.400 0.156 0.000 0.915 400 E CB 0.414 30.176 29.700 0.104 0.000 0.951 400 E HN 0.607 nan 8.360 nan 0.000 0.449 401 R N 3.030 123.627 120.500 0.162 0.000 3.627 401 R HA -0.241 4.099 4.340 0.000 0.000 0.281 401 R C 1.038 177.456 176.300 0.196 0.000 1.140 401 R CA 0.821 57.014 56.100 0.155 0.000 0.761 401 R CB -2.143 28.225 30.300 0.113 0.000 1.181 401 R HN 0.786 nan 8.270 nan 0.000 0.472 402 I N 0.301 121.025 120.570 0.256 0.000 2.546 402 I HA -0.185 3.985 4.170 0.000 0.000 0.255 402 I C 2.297 178.545 176.117 0.218 0.000 1.163 402 I CA 1.565 63.038 61.300 0.289 0.000 1.457 402 I CB -0.028 38.129 38.000 0.262 0.000 1.092 402 I HN 0.312 nan 8.210 nan 0.000 0.434 403 E N 0.755 121.062 120.200 0.178 0.000 2.153 403 E HA -0.268 4.083 4.350 0.000 0.000 0.194 403 E C 1.417 178.013 176.600 -0.007 0.000 0.988 403 E CA 1.776 58.178 56.400 0.002 0.000 0.811 403 E CB 0.044 29.718 29.700 -0.043 0.000 0.746 403 E HN 0.576 nan 8.360 nan 0.000 0.466 404 D N 0.283 120.709 120.400 0.044 0.000 2.123 404 D HA -0.110 4.530 4.640 0.000 0.000 0.200 404 D C 1.781 178.096 176.300 0.025 0.000 0.976 404 D CA 1.123 55.140 54.000 0.028 0.000 0.831 404 D CB 0.040 40.864 40.800 0.040 0.000 0.974 404 D HN 0.121 nan 8.370 nan 0.000 0.469 405 K N 0.195 120.635 120.400 0.067 0.000 2.057 405 K HA 0.013 4.333 4.320 0.000 0.000 0.206 405 K C 2.145 178.753 176.600 0.013 0.000 1.050 405 K CA 0.635 56.928 56.287 0.010 0.000 0.935 405 K CB -0.135 32.384 32.500 0.031 0.000 0.715 405 K HN 0.136 nan 8.250 nan 0.000 0.439 406 L N 0.581 121.896 121.223 0.154 0.000 2.141 406 L HA -0.102 4.238 4.340 0.000 0.000 0.209 406 L C 2.670 179.558 176.870 0.031 0.000 1.094 406 L CA 0.950 55.874 54.840 0.140 0.000 0.763 406 L CB -0.265 41.881 42.059 0.145 0.000 0.908 406 L HN 0.153 nan 8.230 nan 0.000 0.437 407 R N 0.337 120.835 120.500 -0.004 0.000 2.148 407 R HA -0.086 4.254 4.340 0.000 0.000 0.223 407 R C 2.255 178.539 176.300 -0.028 0.000 1.088 407 R CA 0.988 57.070 56.100 -0.028 0.000 0.985 407 R CB -0.124 30.148 30.300 -0.047 0.000 0.880 407 R HN 0.313 nan 8.270 nan 0.000 0.451 408 A N 0.498 123.300 122.820 -0.030 0.000 2.125 408 A HA -0.079 4.241 4.320 0.000 0.000 0.219 408 A C 1.675 179.231 177.584 -0.046 0.000 1.156 408 A CA 0.938 52.949 52.037 -0.043 0.000 0.671 408 A CB -0.230 18.735 19.000 -0.058 0.000 0.794 408 A HN 0.336 nan 8.150 nan 0.000 0.459 409 L N -1.808 119.393 121.223 -0.036 0.000 2.628 409 L HA 0.317 4.657 4.340 0.000 0.000 0.229 409 L C 1.503 178.364 176.870 -0.015 0.000 1.137 409 L CA 0.477 55.301 54.840 -0.027 0.000 0.909 409 L CB 0.044 42.098 42.059 -0.008 0.000 1.137 409 L HN 0.511 nan 8.230 nan 0.000 0.470 410 G N -0.156 108.632 108.800 -0.019 0.000 2.201 410 G HA2 -0.211 3.749 3.960 0.000 0.000 0.212 410 G HA3 -0.211 3.749 3.960 0.000 0.000 0.212 410 G C 0.412 175.299 174.900 -0.020 0.000 0.994 410 G CA -0.161 44.927 45.100 -0.019 0.000 0.644 410 G HN 0.431 nan 8.290 nan 0.000 0.508 411 A N 0.070 122.879 122.820 -0.018 0.000 2.445 411 A HA 0.567 4.887 4.320 0.000 0.000 0.242 411 A C 0.461 178.015 177.584 -0.049 0.000 1.075 411 A CA 0.485 52.505 52.037 -0.028 0.000 0.777 411 A CB 0.260 19.246 19.000 -0.024 0.000 1.013 411 A HN 0.550 nan 8.150 nan 0.000 0.493 412 N N 2.086 120.754 118.700 -0.054 0.000 2.621 412 N HA 0.467 5.208 4.740 0.000 0.000 0.237 412 N C -1.284 174.166 175.510 -0.100 0.000 0.997 412 N CA -0.135 52.875 53.050 -0.067 0.000 0.918 412 N CB 0.238 38.698 38.487 -0.046 0.000 1.122 412 N HN 0.566 nan 8.380 nan 0.000 0.510 413 I N 1.494 121.971 120.570 -0.156 0.000 2.689 413 I HA 0.368 4.539 4.170 0.000 0.000 0.299 413 I C -0.470 175.479 176.117 -0.281 0.000 1.059 413 I CA -0.751 60.382 61.300 -0.280 0.000 1.055 413 I CB 2.419 40.138 38.000 -0.468 0.000 1.243 413 I HN 0.438 nan 8.210 nan 0.000 0.425 414 E N 5.538 125.559 120.200 -0.298 0.000 2.287 414 E HA 0.314 4.664 4.350 0.000 0.000 0.274 414 E C -1.304 175.247 176.600 -0.082 0.000 0.896 414 E CA -0.840 55.450 56.400 -0.182 0.000 0.788 414 E CB 2.141 31.792 29.700 -0.081 0.000 1.244 414 E HN 0.538 nan 8.360 nan 0.000 0.408 415 R N 3.338 123.836 120.500 -0.003 0.000 2.248 415 R HA 0.236 4.576 4.340 0.000 0.000 0.328 415 R C -0.308 176.082 176.300 0.150 0.000 1.067 415 R CA -0.263 55.973 56.100 0.225 0.000 0.924 415 R CB 0.560 31.029 30.300 0.281 0.000 1.013 415 R HN 0.363 nan 8.270 nan 0.000 0.454 416 V N 2.240 122.251 119.914 0.161 0.000 2.435 416 V HA 0.267 4.387 4.120 0.000 0.000 0.290 416 V C 1.451 177.598 176.094 0.088 0.000 1.030 416 V CA -1.006 61.354 62.300 0.100 0.000 0.881 416 V CB 1.679 33.551 31.823 0.082 0.000 0.983 416 V HN 0.872 nan 8.190 nan 0.000 0.445 417 K N 3.630 124.070 120.400 0.066 0.000 1.984 417 K HA -0.126 4.194 4.320 0.000 0.000 0.232 417 K C 0.805 177.436 176.600 0.052 0.000 1.016 417 K CA 2.754 59.073 56.287 0.053 0.000 1.010 417 K CB -0.668 31.856 32.500 0.039 0.000 0.739 417 K HN 1.528 nan 8.250 nan 0.000 0.450 418 G N 0.000 108.828 108.800 0.047 0.000 5.446 418 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 418 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 418 G CA 0.000 45.127 45.100 0.045 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925