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 3iss_1_K DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT KLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDV DATA SEQUENCE DTSMKLLSQL GAKVERDGSV HIDARDVNVF CAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCTIGAR 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 0.000 176.295 176.300 -0.008 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 D N 2.620 123.006 120.400 -0.024 0.000 2.400 2 D HA 0.424 5.064 4.640 -0.000 0.000 0.238 2 D C 0.080 176.311 176.300 -0.115 0.000 1.157 2 D CA 0.669 54.625 54.000 -0.073 0.000 0.889 2 D CB 1.140 41.873 40.800 -0.112 0.000 1.199 2 D HN 0.307 nan 8.370 nan 0.000 0.436 3 K N 0.237 120.554 120.400 -0.139 0.000 2.512 3 K HA 0.451 4.771 4.320 -0.000 0.000 0.263 3 K C -1.136 175.388 176.600 -0.125 0.000 0.966 3 K CA -0.818 55.392 56.287 -0.128 0.000 0.851 3 K CB 1.617 34.105 32.500 -0.020 0.000 1.395 3 K HN 0.136 nan 8.250 nan 0.000 0.440 4 F N 1.621 121.579 119.950 0.012 0.000 2.427 4 F HA 0.392 4.919 4.527 -0.000 0.000 0.346 4 F C 0.420 176.223 175.800 0.004 0.000 1.120 4 F CA -0.835 57.168 58.000 0.006 0.000 1.033 4 F CB 1.352 40.350 39.000 -0.004 0.000 1.126 4 F HN 0.260 nan 8.300 nan 0.000 0.462 5 R N 3.366 123.996 120.500 0.217 0.000 2.265 5 R HA 0.726 5.066 4.340 -0.000 0.000 0.319 5 R C -1.877 174.465 176.300 0.070 0.000 1.006 5 R CA -0.311 55.856 56.100 0.112 0.000 0.880 5 R CB 0.991 31.337 30.300 0.077 0.000 1.077 5 R HN 0.508 nan 8.270 nan 0.000 0.454 6 V N 4.503 124.442 119.914 0.042 0.000 2.656 6 V HA 0.337 4.457 4.120 -0.000 0.000 0.307 6 V C -0.637 175.457 176.094 -0.001 0.000 1.051 6 V CA -0.914 61.387 62.300 0.001 0.000 0.893 6 V CB 1.940 33.753 31.823 -0.017 0.000 0.999 6 V HN 0.745 nan 8.190 nan 0.000 0.426 7 Q N 2.456 122.249 119.800 -0.011 0.000 2.331 7 Q HA 0.730 5.070 4.340 -0.000 0.000 0.267 7 Q C 0.006 175.998 176.000 -0.014 0.000 1.006 7 Q CA -0.234 55.564 55.803 -0.008 0.000 0.818 7 Q CB 2.664 31.399 28.738 -0.005 0.000 1.276 7 Q HN 1.006 nan 8.270 nan 0.000 0.450 8 G N 2.359 111.152 108.800 -0.011 0.000 2.788 8 G HA2 0.682 4.642 3.960 -0.000 0.000 0.293 8 G HA3 0.682 4.642 3.960 -0.000 0.000 0.293 8 G C -2.916 171.978 174.900 -0.010 0.000 1.392 8 G CA -1.076 44.015 45.100 -0.014 0.000 0.810 8 G HN 0.287 nan 8.290 nan 0.000 0.508 9 P HA 0.425 nan 4.420 nan 0.000 0.276 9 P C -0.730 176.562 177.300 -0.014 0.000 1.244 9 P CA 0.047 63.139 63.100 -0.013 0.000 0.801 9 P CB 1.871 33.564 31.700 -0.011 0.000 1.006 10 T N -0.125 114.419 114.554 -0.017 0.000 3.041 10 T HA 0.309 4.659 4.350 -0.000 0.000 0.321 10 T C -1.215 173.474 174.700 -0.018 0.000 1.184 10 T CA -0.760 61.330 62.100 -0.018 0.000 1.050 10 T CB 0.961 69.816 68.868 -0.022 0.000 1.159 10 T HN 0.414 nan 8.240 nan 0.000 0.469 11 K N 5.193 125.584 120.400 -0.015 0.000 2.253 11 K HA 0.563 4.883 4.320 -0.000 0.000 0.277 11 K C -0.627 175.964 176.600 -0.015 0.000 1.053 11 K CA -0.614 55.664 56.287 -0.015 0.000 0.892 11 K CB 0.355 32.848 32.500 -0.012 0.000 1.102 11 K HN 0.508 nan 8.250 nan 0.000 0.469 12 L N 6.249 127.464 121.223 -0.013 0.000 2.278 12 L HA 0.240 4.580 4.340 -0.000 0.000 0.287 12 L C -0.084 176.781 176.870 -0.008 0.000 1.072 12 L CA -0.187 54.649 54.840 -0.007 0.000 0.819 12 L CB 0.517 42.581 42.059 0.008 0.000 1.176 12 L HN 0.758 nan 8.230 nan 0.000 0.435 13 Q N 2.709 122.500 119.800 -0.016 0.000 2.482 13 Q HA 0.876 5.216 4.340 -0.000 0.000 0.286 13 Q C -0.328 175.653 176.000 -0.032 0.000 1.007 13 Q CA -0.636 55.154 55.803 -0.022 0.000 0.801 13 Q CB 2.916 31.640 28.738 -0.023 0.000 1.455 13 Q HN 0.634 nan 8.270 nan 0.000 0.398 14 G N 0.846 109.624 108.800 -0.038 0.000 2.236 14 G HA2 0.076 4.035 3.960 -0.000 0.000 0.231 14 G HA3 0.076 4.035 3.960 -0.000 0.000 0.231 14 G C -1.574 173.290 174.900 -0.060 0.000 1.334 14 G CA -0.068 45.002 45.100 -0.050 0.000 1.137 14 G HN 1.068 nan 8.290 nan 0.000 0.482 15 E N -1.950 118.203 120.200 -0.078 0.000 2.433 15 E HA 0.783 5.133 4.350 -0.000 0.000 0.273 15 E C -1.502 175.013 176.600 -0.141 0.000 0.950 15 E CA -1.065 55.280 56.400 -0.091 0.000 0.796 15 E CB 2.739 32.392 29.700 -0.079 0.000 1.330 15 E HN 1.509 nan 8.360 nan 0.000 0.455 16 V N 0.398 120.213 119.914 -0.165 0.000 2.932 16 V HA 0.433 4.553 4.120 -0.000 0.000 0.307 16 V C -1.427 174.567 176.094 -0.166 0.000 1.147 16 V CA -0.307 61.838 62.300 -0.259 0.000 0.951 16 V CB 2.496 33.983 31.823 -0.561 0.000 1.031 16 V HN 0.882 nan 8.190 nan 0.000 0.426 17 T N 7.502 121.970 114.554 -0.142 0.000 2.744 17 T HA 0.521 4.871 4.350 -0.000 0.000 0.291 17 T C -0.146 174.526 174.700 -0.047 0.000 0.957 17 T CA -0.230 61.830 62.100 -0.068 0.000 1.002 17 T CB 0.563 69.404 68.868 -0.044 0.000 0.919 17 T HN 0.461 nan 8.240 nan 0.000 0.468 18 I N 3.272 123.843 120.570 0.001 0.000 2.496 18 I HA 0.167 4.337 4.170 -0.000 0.000 0.285 18 I C 1.165 177.309 176.117 0.045 0.000 1.080 18 I CA -0.053 61.276 61.300 0.048 0.000 1.404 18 I CB 0.442 38.484 38.000 0.069 0.000 1.403 18 I HN 0.566 nan 8.210 nan 0.000 0.539 19 S N 4.069 119.810 115.700 0.068 0.000 2.624 19 S HA 0.466 4.936 4.470 -0.000 0.000 0.263 19 S C 0.678 175.298 174.600 0.034 0.000 1.287 19 S CA -0.557 57.672 58.200 0.049 0.000 0.990 19 S CB 1.078 64.317 63.200 0.066 0.000 0.950 19 S HN 0.848 nan 8.310 nan 0.000 0.561 20 G N 0.112 108.922 108.800 0.016 0.000 2.544 20 G HA2 0.445 4.404 3.960 -0.000 0.000 0.242 20 G HA3 0.445 4.404 3.960 -0.000 0.000 0.242 20 G C -0.091 174.810 174.900 0.002 0.000 1.247 20 G CA -0.412 44.690 45.100 0.003 0.000 0.840 20 G HN 0.905 nan 8.290 nan 0.000 0.578 21 A N 1.477 124.296 122.820 -0.002 0.000 2.476 21 A HA 0.235 4.555 4.320 -0.000 0.000 0.275 21 A C 1.666 179.243 177.584 -0.011 0.000 1.133 21 A CA 0.197 52.229 52.037 -0.009 0.000 0.797 21 A CB 0.191 19.186 19.000 -0.009 0.000 1.081 21 A HN 0.908 nan 8.150 nan 0.000 0.510 22 K N 2.554 122.941 120.400 -0.022 0.000 2.044 22 K HA -0.214 4.105 4.320 -0.000 0.000 0.210 22 K C 0.590 177.206 176.600 0.027 0.000 1.049 22 K CA 2.111 58.390 56.287 -0.012 0.000 0.927 22 K CB -0.095 32.375 32.500 -0.050 0.000 0.713 22 K HN 0.711 nan 8.250 nan 0.000 0.443 23 N N -0.137 118.582 118.700 0.032 0.000 2.449 23 N HA 0.032 4.772 4.740 -0.000 0.000 0.191 23 N C 0.690 176.240 175.510 0.067 0.000 1.161 23 N CA 0.684 53.790 53.050 0.093 0.000 0.863 23 N CB 0.669 39.211 38.487 0.092 0.000 0.980 23 N HN 0.346 nan 8.380 nan 0.000 0.458 24 A N 0.084 122.912 122.820 0.014 0.000 1.963 24 A HA 0.397 4.717 4.320 -0.000 0.000 0.207 24 A C 2.195 179.741 177.584 -0.063 0.000 1.243 24 A CA 0.800 52.821 52.037 -0.027 0.000 0.728 24 A CB -0.532 18.461 19.000 -0.011 0.000 0.895 24 A HN 0.178 nan 8.150 nan 0.000 0.467 25 A N 0.154 122.949 122.820 -0.040 0.000 1.892 25 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 25 A C 2.045 179.589 177.584 -0.067 0.000 1.188 25 A CA 1.932 53.926 52.037 -0.070 0.000 0.631 25 A CB -0.719 18.256 19.000 -0.042 0.000 0.822 25 A HN 0.397 nan 8.150 nan 0.000 0.447 26 L N -0.083 121.167 121.223 0.045 0.000 1.989 26 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 26 L C -0.452 176.540 176.870 0.204 0.000 1.071 26 L CA 2.608 57.566 54.840 0.197 0.000 0.749 26 L CB -1.297 41.009 42.059 0.412 0.000 0.890 26 L HN 0.237 nan 8.230 nan 0.000 0.431 27 P HA -0.107 nan 4.420 nan 0.000 0.219 27 P C 2.042 179.174 177.300 -0.280 0.000 1.150 27 P CA 1.397 64.183 63.100 -0.523 0.000 0.814 27 P CB 0.070 31.267 31.700 -0.837 0.000 0.787 28 I N -1.484 118.910 120.570 -0.294 0.000 2.202 28 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 28 I C 2.009 177.870 176.117 -0.428 0.000 1.091 28 I CA 1.036 62.040 61.300 -0.493 0.000 1.368 28 I CB -0.629 36.949 38.000 -0.703 0.000 1.058 28 I HN -0.136 nan 8.210 nan 0.000 0.410 29 L N -0.107 120.925 121.223 -0.319 0.000 2.081 29 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 29 L C 2.161 178.861 176.870 -0.283 0.000 1.080 29 L CA 2.104 56.753 54.840 -0.318 0.000 0.754 29 L CB -0.851 40.977 42.059 -0.385 0.000 0.893 29 L HN 0.111 nan 8.230 nan 0.000 0.433 30 F N -1.158 118.767 119.950 -0.042 0.000 2.367 30 F HA -0.015 4.512 4.527 -0.000 0.000 0.298 30 F C 2.360 178.175 175.800 0.026 0.000 1.094 30 F CA 0.778 58.794 58.000 0.026 0.000 1.409 30 F CB -0.882 38.168 39.000 0.084 0.000 1.064 30 F HN 0.028 nan 8.300 nan 0.000 0.528 31 A N -0.014 122.887 122.820 0.136 0.000 2.067 31 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 31 A C 2.350 180.078 177.584 0.241 0.000 1.158 31 A CA 1.240 53.377 52.037 0.167 0.000 0.661 31 A CB -1.040 18.073 19.000 0.188 0.000 0.801 31 A HN 0.260 nan 8.150 nan 0.000 0.452 32 A N -0.117 122.828 122.820 0.208 0.000 2.070 32 A HA 0.009 4.329 4.320 -0.000 0.000 0.220 32 A C 1.933 179.618 177.584 0.168 0.000 1.159 32 A CA 1.123 53.293 52.037 0.222 0.000 0.656 32 A CB -0.563 18.514 19.000 0.128 0.000 0.800 32 A HN 0.490 nan 8.150 nan 0.000 0.453 33 L N -0.769 120.559 121.223 0.175 0.000 2.349 33 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 33 L C 2.104 179.097 176.870 0.205 0.000 1.130 33 L CA 0.709 55.679 54.840 0.217 0.000 0.791 33 L CB -0.404 41.818 42.059 0.271 0.000 0.918 33 L HN 0.418 nan 8.230 nan 0.000 0.444 34 L N -0.615 120.692 121.223 0.140 0.000 2.341 34 L HA 0.082 4.422 4.340 -0.000 0.000 0.214 34 L C 1.425 178.310 176.870 0.024 0.000 1.115 34 L CA -0.282 54.594 54.840 0.061 0.000 0.820 34 L CB -0.333 41.746 42.059 0.033 0.000 0.944 34 L HN 0.130 nan 8.230 nan 0.000 0.452 35 A N 0.308 123.161 122.820 0.055 0.000 2.401 35 A HA 0.142 4.461 4.320 -0.000 0.000 0.259 35 A C 0.801 178.406 177.584 0.036 0.000 1.103 35 A CA -0.163 51.889 52.037 0.026 0.000 0.789 35 A CB 0.240 19.268 19.000 0.048 0.000 1.035 35 A HN 0.326 nan 8.150 nan 0.000 0.491 36 E N 0.647 120.853 120.200 0.010 0.000 2.498 36 E HA 0.065 4.415 4.350 -0.000 0.000 0.203 36 E C -0.305 176.310 176.600 0.025 0.000 1.013 36 E CA 0.112 56.524 56.400 0.019 0.000 0.927 36 E CB 0.491 30.187 29.700 -0.006 0.000 1.012 36 E HN 0.709 nan 8.360 nan 0.000 0.482 37 E N 0.989 121.203 120.200 0.023 0.000 2.320 37 E HA 0.360 4.710 4.350 -0.000 0.000 0.264 37 E C -2.622 174.007 176.600 0.048 0.000 0.923 37 E CA -2.436 53.982 56.400 0.029 0.000 0.796 37 E CB 1.317 31.027 29.700 0.017 0.000 1.262 37 E HN -0.151 nan 8.360 nan 0.000 0.428 38 P HA 0.053 nan 4.420 nan 0.000 0.268 38 P C -0.707 176.652 177.300 0.099 0.000 1.208 38 P CA -0.020 63.127 63.100 0.079 0.000 0.777 38 P CB 0.573 32.317 31.700 0.073 0.000 0.875 39 V N 1.540 121.532 119.914 0.130 0.000 2.925 39 V HA 0.402 4.522 4.120 -0.000 0.000 0.311 39 V C -1.042 175.137 176.094 0.141 0.000 1.104 39 V CA -0.678 61.714 62.300 0.154 0.000 0.954 39 V CB 2.073 34.020 31.823 0.208 0.000 1.022 39 V HN 0.544 nan 8.190 nan 0.000 0.427 40 E N 4.539 124.806 120.200 0.113 0.000 2.185 40 E HA 0.516 4.866 4.350 -0.000 0.000 0.261 40 E C -1.715 174.872 176.600 -0.022 0.000 0.879 40 E CA -0.682 55.690 56.400 -0.047 0.000 0.756 40 E CB 1.632 31.294 29.700 -0.063 0.000 1.152 40 E HN 0.593 nan 8.360 nan 0.000 0.416 41 I N 4.163 124.674 120.570 -0.099 0.000 2.321 41 I HA 0.150 4.319 4.170 -0.000 0.000 0.291 41 I C 0.198 176.258 176.117 -0.095 0.000 0.998 41 I CA -0.160 61.101 61.300 -0.065 0.000 1.227 41 I CB 1.489 39.410 38.000 -0.132 0.000 1.368 41 I HN 0.446 nan 8.210 nan 0.000 0.466 42 Q N 4.093 123.860 119.800 -0.055 0.000 2.214 42 Q HA 0.359 4.699 4.340 -0.000 0.000 0.251 42 Q C 0.309 176.275 176.000 -0.056 0.000 0.936 42 Q CA -0.713 55.050 55.803 -0.066 0.000 0.894 42 Q CB 0.810 29.513 28.738 -0.059 0.000 1.252 42 Q HN 0.557 nan 8.270 nan 0.000 0.448 43 N N -0.225 118.446 118.700 -0.048 0.000 2.758 43 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 43 N C -1.701 173.791 175.510 -0.030 0.000 1.076 43 N CA 0.264 53.293 53.050 -0.035 0.000 0.696 43 N CB -0.990 37.474 38.487 -0.038 0.000 0.979 43 N HN 0.325 nan 8.380 nan 0.000 0.550 44 V N 1.814 121.706 119.914 -0.036 0.000 2.498 44 V HA 0.420 4.540 4.120 -0.000 0.000 0.279 44 V C -1.310 174.774 176.094 -0.015 0.000 1.048 44 V CA -0.981 61.299 62.300 -0.033 0.000 0.967 44 V CB 1.312 33.104 31.823 -0.052 0.000 0.988 44 V HN 0.213 nan 8.190 nan 0.000 0.473 45 P HA 0.212 nan 4.420 nan 0.000 0.274 45 P C -0.972 176.336 177.300 0.013 0.000 1.246 45 P CA -0.599 62.508 63.100 0.011 0.000 0.795 45 P CB 0.902 32.611 31.700 0.015 0.000 1.006 46 K N 1.916 122.332 120.400 0.028 0.000 2.296 46 K HA 0.447 4.767 4.320 -0.000 0.000 0.257 46 K C -0.256 176.370 176.600 0.042 0.000 1.088 46 K CA -0.240 56.065 56.287 0.030 0.000 0.980 46 K CB 0.171 32.691 32.500 0.033 0.000 1.430 46 K HN 0.386 nan 8.250 nan 0.000 0.441 47 L N 1.391 122.634 121.223 0.033 0.000 2.350 47 L HA 0.368 4.708 4.340 -0.000 0.000 0.260 47 L C 1.124 178.016 176.870 0.036 0.000 1.015 47 L CA -1.037 53.828 54.840 0.041 0.000 0.821 47 L CB 1.628 43.704 42.059 0.028 0.000 1.370 47 L HN 0.304 nan 8.230 nan 0.000 0.416 48 K N 0.598 121.024 120.400 0.045 0.000 2.147 48 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 48 K C 1.191 177.813 176.600 0.037 0.000 1.049 48 K CA 1.496 57.807 56.287 0.040 0.000 0.936 48 K CB 0.067 32.596 32.500 0.049 0.000 0.722 48 K HN 0.535 nan 8.250 nan 0.000 0.446 49 D N -0.594 119.830 120.400 0.041 0.000 2.178 49 D HA -0.115 4.524 4.640 -0.000 0.000 0.201 49 D C 1.668 177.996 176.300 0.048 0.000 0.980 49 D CA 0.828 54.859 54.000 0.051 0.000 0.842 49 D CB 0.056 40.888 40.800 0.053 0.000 0.948 49 D HN -0.003 nan 8.370 nan 0.000 0.472 50 V N 1.072 121.001 119.914 0.024 0.000 2.379 50 V HA -0.186 3.933 4.120 -0.000 0.000 0.245 50 V C 1.748 177.834 176.094 -0.013 0.000 1.044 50 V CA 1.494 63.792 62.300 -0.003 0.000 1.036 50 V CB -0.333 31.483 31.823 -0.013 0.000 0.664 50 V HN 0.080 nan 8.190 nan 0.000 0.453 51 D N 0.195 120.596 120.400 0.002 0.000 2.106 51 D HA -0.172 4.468 4.640 -0.000 0.000 0.191 51 D C 2.270 178.572 176.300 0.003 0.000 0.997 51 D CA 2.084 56.084 54.000 0.000 0.000 0.834 51 D CB -0.650 40.154 40.800 0.008 0.000 0.956 51 D HN 0.367 nan 8.370 nan 0.000 0.448 52 T N 0.297 114.863 114.554 0.020 0.000 2.759 52 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 52 T C 2.173 176.901 174.700 0.047 0.000 1.042 52 T CA 1.463 63.584 62.100 0.036 0.000 1.140 52 T CB -0.256 68.644 68.868 0.052 0.000 0.864 52 T HN 0.046 nan 8.240 nan 0.000 0.455 53 S N 1.144 116.860 115.700 0.027 0.000 2.356 53 S HA -0.012 4.458 4.470 -0.000 0.000 0.223 53 S C 2.135 176.655 174.600 -0.134 0.000 1.032 53 S CA 1.130 59.291 58.200 -0.066 0.000 1.005 53 S CB -0.358 62.717 63.200 -0.208 0.000 0.867 53 S HN 0.429 nan 8.310 nan 0.000 0.449 54 M N 1.138 120.679 119.600 -0.097 0.000 2.080 54 M HA -0.176 4.304 4.480 -0.000 0.000 0.260 54 M C 2.276 178.553 176.300 -0.039 0.000 1.068 54 M CA 1.652 56.906 55.300 -0.078 0.000 1.109 54 M CB -0.516 32.053 32.600 -0.051 0.000 1.342 54 M HN 0.203 nan 8.290 nan 0.000 0.405 55 K N 0.943 121.333 120.400 -0.016 0.000 2.074 55 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 55 K C 1.755 178.363 176.600 0.013 0.000 1.048 55 K CA 1.507 57.794 56.287 0.000 0.000 0.926 55 K CB -0.440 32.065 32.500 0.008 0.000 0.713 55 K HN 0.185 nan 8.250 nan 0.000 0.444 56 L N 0.440 121.683 121.223 0.033 0.000 2.027 56 L HA -0.028 4.312 4.340 -0.000 0.000 0.206 56 L C 1.897 178.797 176.870 0.051 0.000 1.074 56 L CA 1.448 56.333 54.840 0.075 0.000 0.745 56 L CB -0.726 41.441 42.059 0.181 0.000 0.898 56 L HN 0.232 nan 8.230 nan 0.000 0.433 57 L N -0.377 120.846 121.223 0.001 0.000 1.990 57 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 57 L C 2.905 179.769 176.870 -0.010 0.000 1.072 57 L CA 2.192 57.024 54.840 -0.014 0.000 0.755 57 L CB -1.453 40.560 42.059 -0.077 0.000 0.889 57 L HN 0.523 nan 8.230 nan 0.000 0.432 58 S N -1.205 114.485 115.700 -0.016 0.000 2.365 58 S HA -0.337 4.133 4.470 -0.000 0.000 0.225 58 S C 2.089 176.675 174.600 -0.024 0.000 1.039 58 S CA 1.884 60.074 58.200 -0.017 0.000 1.033 58 S CB -0.312 62.880 63.200 -0.013 0.000 0.887 58 S HN 0.544 nan 8.310 nan 0.000 0.447 59 Q N -0.135 119.656 119.800 -0.016 0.000 2.181 59 Q HA -0.040 4.300 4.340 -0.000 0.000 0.205 59 Q C 1.993 177.961 176.000 -0.054 0.000 0.980 59 Q CA 1.535 57.324 55.803 -0.023 0.000 0.862 59 Q CB -0.201 28.537 28.738 0.000 0.000 0.905 59 Q HN 0.623 nan 8.270 nan 0.000 0.429 60 L N -1.793 119.399 121.223 -0.052 0.000 2.478 60 L HA 0.086 4.425 4.340 -0.000 0.000 0.223 60 L C 1.269 178.039 176.870 -0.167 0.000 1.140 60 L CA 0.656 55.428 54.840 -0.113 0.000 0.842 60 L CB 0.170 42.198 42.059 -0.051 0.000 0.953 60 L HN 0.532 nan 8.230 nan 0.000 0.452 61 G N -0.709 108.030 108.800 -0.102 0.000 2.192 61 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.193 61 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.193 61 G C 0.280 175.155 174.900 -0.042 0.000 0.999 61 G CA -0.181 44.864 45.100 -0.093 0.000 0.659 61 G HN 0.412 nan 8.290 nan 0.000 0.503 62 A N -0.163 122.646 122.820 -0.020 0.000 2.332 62 A HA 0.753 5.073 4.320 -0.000 0.000 0.258 62 A C 0.294 177.882 177.584 0.006 0.000 1.087 62 A CA 0.147 52.190 52.037 0.010 0.000 0.802 62 A CB 0.517 19.530 19.000 0.023 0.000 1.042 62 A HN 0.286 nan 8.150 nan 0.000 0.489 63 K N 0.536 120.947 120.400 0.018 0.000 2.253 63 K HA 0.527 4.847 4.320 -0.000 0.000 0.277 63 K C -1.164 175.451 176.600 0.026 0.000 1.053 63 K CA 0.092 56.389 56.287 0.017 0.000 0.892 63 K CB 1.292 33.803 32.500 0.018 0.000 1.102 63 K HN 0.398 nan 8.250 nan 0.000 0.469 64 V N 3.086 123.011 119.914 0.018 0.000 2.656 64 V HA 0.532 4.652 4.120 -0.000 0.000 0.307 64 V C -0.973 175.140 176.094 0.032 0.000 1.051 64 V CA -0.956 61.359 62.300 0.024 0.000 0.893 64 V CB 1.786 33.608 31.823 -0.002 0.000 0.999 64 V HN 0.851 nan 8.190 nan 0.000 0.426 65 E N 3.428 123.664 120.200 0.060 0.000 2.343 65 E HA 0.638 4.988 4.350 -0.000 0.000 0.288 65 E C -0.953 175.705 176.600 0.097 0.000 0.907 65 E CA -1.143 55.294 56.400 0.063 0.000 0.792 65 E CB 2.000 31.730 29.700 0.050 0.000 1.275 65 E HN 0.775 nan 8.360 nan 0.000 0.402 66 R N 1.305 121.840 120.500 0.058 0.000 2.902 66 R HA 0.528 4.868 4.340 -0.000 0.000 0.258 66 R C -0.541 175.790 176.300 0.051 0.000 1.071 66 R CA -0.279 55.851 56.100 0.051 0.000 1.024 66 R CB 1.019 31.325 30.300 0.010 0.000 1.184 66 R HN 0.548 nan 8.270 nan 0.000 0.492 67 D N 0.411 120.838 120.400 0.045 0.000 2.306 67 D HA 0.086 4.726 4.640 -0.000 0.000 0.239 67 D C 1.366 177.680 176.300 0.023 0.000 1.105 67 D CA 0.524 54.546 54.000 0.037 0.000 0.950 67 D CB -0.437 40.383 40.800 0.033 0.000 1.036 67 D HN 0.578 nan 8.370 nan 0.000 0.428 68 G N -1.293 107.516 108.800 0.015 0.000 2.781 68 G HA2 0.302 4.262 3.960 -0.000 0.000 0.208 68 G HA3 0.302 4.262 3.960 -0.000 0.000 0.208 68 G C 0.362 175.244 174.900 -0.029 0.000 1.099 68 G CA -0.106 44.993 45.100 -0.002 0.000 0.776 68 G HN 0.319 nan 8.290 nan 0.000 0.532 69 S N -1.170 114.497 115.700 -0.054 0.000 2.709 69 S HA 0.682 5.152 4.470 -0.000 0.000 0.302 69 S C -1.141 173.365 174.600 -0.157 0.000 1.127 69 S CA -0.479 57.640 58.200 -0.135 0.000 0.905 69 S CB 2.475 65.538 63.200 -0.229 0.000 1.151 69 S HN -0.039 nan 8.310 nan 0.000 0.510 70 V N 2.575 122.365 119.914 -0.206 0.000 2.409 70 V HA 0.373 4.493 4.120 -0.000 0.000 0.291 70 V C -0.875 175.093 176.094 -0.211 0.000 1.020 70 V CA -0.601 61.611 62.300 -0.146 0.000 0.848 70 V CB 1.148 32.910 31.823 -0.103 0.000 0.990 70 V HN 0.785 nan 8.190 nan 0.000 0.430 71 H N 5.617 124.685 119.070 -0.003 0.000 2.517 71 H HA 0.567 5.123 4.556 -0.000 0.000 0.317 71 H C -0.643 174.688 175.328 0.005 0.000 1.080 71 H CA -0.158 55.896 56.048 0.009 0.000 1.301 71 H CB 1.871 31.640 29.762 0.011 0.000 1.425 71 H HN 0.465 nan 8.280 nan 0.000 0.471 72 I N 2.855 123.497 120.570 0.121 0.000 2.466 72 I HA 0.059 4.229 4.170 -0.000 0.000 0.289 72 I C -0.244 175.927 176.117 0.090 0.000 1.026 72 I CA -0.584 60.762 61.300 0.077 0.000 1.078 72 I CB 2.048 40.073 38.000 0.042 0.000 1.249 72 I HN 0.427 nan 8.210 nan 0.000 0.429 73 D N 5.627 126.070 120.400 0.071 0.000 2.453 73 D HA 0.492 5.132 4.640 -0.000 0.000 0.238 73 D C 0.035 176.375 176.300 0.067 0.000 1.088 73 D CA -0.322 53.718 54.000 0.067 0.000 0.854 73 D CB 1.950 42.780 40.800 0.051 0.000 1.076 73 D HN 0.628 nan 8.370 nan 0.000 0.533 74 A N 4.346 127.217 122.820 0.086 0.000 2.500 74 A HA 0.169 4.489 4.320 -0.000 0.000 0.267 74 A C 1.753 179.421 177.584 0.141 0.000 1.290 74 A CA -0.239 51.865 52.037 0.112 0.000 0.928 74 A CB 0.034 19.116 19.000 0.136 0.000 1.066 74 A HN 0.517 nan 8.150 nan 0.000 0.516 75 R N 0.183 120.747 120.500 0.106 0.000 2.075 75 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 75 R C 0.071 176.451 176.300 0.134 0.000 1.126 75 R CA 1.383 57.550 56.100 0.112 0.000 0.963 75 R CB -0.020 30.324 30.300 0.074 0.000 0.858 75 R HN 0.283 nan 8.270 nan 0.000 0.435 76 D N 0.356 120.811 120.400 0.091 0.000 2.370 76 D HA 0.066 4.706 4.640 -0.000 0.000 0.230 76 D C -0.456 175.858 176.300 0.023 0.000 1.143 76 D CA 0.071 54.108 54.000 0.062 0.000 0.834 76 D CB 0.299 41.115 40.800 0.028 0.000 0.944 76 D HN -0.119 nan 8.370 nan 0.000 0.504 77 V N 2.856 122.803 119.914 0.055 0.000 2.540 77 V HA -0.016 4.104 4.120 -0.000 0.000 0.297 77 V C 1.234 177.142 176.094 -0.311 0.000 1.024 77 V CA 0.508 62.744 62.300 -0.107 0.000 1.105 77 V CB 0.571 32.374 31.823 -0.033 0.000 0.938 77 V HN 0.349 nan 8.190 nan 0.000 0.482 78 N N 3.324 121.719 118.700 -0.508 0.000 2.036 78 N HA 0.064 4.804 4.740 -0.000 0.000 0.228 78 N C -0.505 174.367 175.510 -1.063 0.000 1.368 78 N CA -0.004 52.681 53.050 -0.608 0.000 0.846 78 N CB 0.845 39.188 38.487 -0.239 0.000 1.145 78 N HN 0.423 nan 8.380 nan 0.000 0.502 79 V N 0.730 120.002 119.914 -1.070 0.000 2.769 79 V HA 0.645 4.765 4.120 -0.000 0.000 0.312 79 V C -1.196 174.291 176.094 -1.012 0.000 1.061 79 V CA -0.754 60.963 62.300 -0.972 0.000 0.931 79 V CB 1.481 33.060 31.823 -0.407 0.000 1.010 79 V HN 0.028 nan 8.190 nan 0.000 0.433 80 F N 4.232 124.117 119.950 -0.109 0.000 2.814 80 F HA 0.482 5.009 4.527 -0.000 0.000 0.326 80 F C 0.164 175.954 175.800 -0.017 0.000 1.159 80 F CA -0.382 57.568 58.000 -0.083 0.000 1.234 80 F CB 0.654 39.598 39.000 -0.092 0.000 1.016 80 F HN 0.485 nan 8.300 nan 0.000 0.510 81 C N 1.738 121.083 119.300 0.075 0.000 2.482 81 C HA 0.871 5.331 4.460 -0.000 0.000 0.317 81 C C -0.037 175.016 174.990 0.105 0.000 1.197 81 C CA -0.449 58.620 59.018 0.086 0.000 1.432 81 C CB -0.025 27.715 27.740 -0.000 0.000 2.062 81 C HN 0.453 nan 8.230 nan 0.000 0.471 82 A N 8.591 131.509 122.820 0.162 0.000 2.294 82 A HA 0.688 5.008 4.320 -0.000 0.000 0.316 82 A C -2.451 175.280 177.584 0.245 0.000 1.359 82 A CA -1.085 51.049 52.037 0.162 0.000 0.956 82 A CB 0.111 19.189 19.000 0.129 0.000 1.155 82 A HN 0.797 nan 8.150 nan 0.000 0.544 83 P HA 0.012 nan 4.420 nan 0.000 0.275 83 P C 0.439 177.887 177.300 0.247 0.000 1.228 83 P CA -0.141 63.163 63.100 0.341 0.000 0.786 83 P CB 0.686 32.511 31.700 0.208 0.000 0.927 84 Y N 2.585 122.962 120.300 0.127 0.000 2.096 84 Y HA -0.352 4.197 4.550 -0.000 0.000 0.276 84 Y C 1.857 177.754 175.900 -0.005 0.000 1.209 84 Y CA 2.416 60.493 58.100 -0.038 0.000 1.137 84 Y CB -0.739 37.688 38.460 -0.056 0.000 0.956 84 Y HN 0.304 nan 8.280 nan 0.000 0.506 85 D N -0.220 120.264 120.400 0.140 0.000 2.221 85 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 85 D C 2.032 178.299 176.300 -0.054 0.000 0.982 85 D CA 1.379 55.402 54.000 0.038 0.000 0.857 85 D CB -0.194 40.664 40.800 0.096 0.000 0.934 85 D HN 0.389 nan 8.370 nan 0.000 0.475 86 L N -0.457 120.749 121.223 -0.029 0.000 2.130 86 L HA -0.054 4.286 4.340 -0.000 0.000 0.200 86 L C 2.456 179.277 176.870 -0.082 0.000 1.075 86 L CA 0.451 55.274 54.840 -0.028 0.000 0.768 86 L CB -0.316 41.761 42.059 0.029 0.000 0.933 86 L HN -0.142 nan 8.230 nan 0.000 0.451 87 V N 0.923 120.771 119.914 -0.110 0.000 2.324 87 V HA -0.371 3.749 4.120 -0.000 0.000 0.250 87 V C 2.503 178.461 176.094 -0.226 0.000 1.060 87 V CA 2.312 64.519 62.300 -0.156 0.000 1.042 87 V CB -1.079 30.641 31.823 -0.173 0.000 0.650 87 V HN 0.625 nan 8.190 nan 0.000 0.450 88 K N 1.273 121.458 120.400 -0.359 0.000 2.209 88 K HA -0.187 4.133 4.320 -0.000 0.000 0.204 88 K C 1.848 178.329 176.600 -0.198 0.000 1.048 88 K CA 1.882 57.942 56.287 -0.377 0.000 0.940 88 K CB -0.613 31.516 32.500 -0.618 0.000 0.729 88 K HN 0.616 nan 8.250 nan 0.000 0.451 89 T N -2.069 112.399 114.554 -0.143 0.000 3.081 89 T HA 0.124 4.474 4.350 -0.000 0.000 0.255 89 T C 0.712 175.386 174.700 -0.044 0.000 1.113 89 T CA -0.149 61.907 62.100 -0.072 0.000 1.082 89 T CB -0.002 68.835 68.868 -0.052 0.000 0.939 89 T HN 0.288 nan 8.240 nan 0.000 0.506 90 M N 2.036 121.598 119.600 -0.064 0.000 2.356 90 M HA 0.319 4.799 4.480 -0.000 0.000 0.215 90 M C 0.547 176.787 176.300 -0.099 0.000 0.978 90 M CA -0.652 54.618 55.300 -0.050 0.000 0.972 90 M CB 1.265 33.870 32.600 0.008 0.000 2.529 90 M HN 0.143 nan 8.290 nan 0.000 0.447 91 R N 1.772 122.186 120.500 -0.143 0.000 2.293 91 R HA 0.017 4.357 4.340 -0.000 0.000 0.219 91 R C 1.039 177.164 176.300 -0.293 0.000 1.091 91 R CA 1.422 57.398 56.100 -0.206 0.000 1.004 91 R CB -0.447 29.729 30.300 -0.205 0.000 0.865 91 R HN 0.638 nan 8.270 nan 0.000 0.469 92 A N 1.254 123.906 122.820 -0.280 0.000 2.121 92 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 92 A C 2.051 179.377 177.584 -0.429 0.000 1.154 92 A CA 1.129 52.900 52.037 -0.445 0.000 0.679 92 A CB -0.310 18.542 19.000 -0.247 0.000 0.795 92 A HN 0.406 nan 8.150 nan 0.000 0.458 93 S N -0.144 115.403 115.700 -0.256 0.000 2.420 93 S HA -0.219 4.251 4.470 -0.000 0.000 0.237 93 S C 1.696 176.084 174.600 -0.354 0.000 1.023 93 S CA 1.430 59.475 58.200 -0.257 0.000 0.991 93 S CB -0.487 62.677 63.200 -0.060 0.000 0.792 93 S HN 0.615 nan 8.310 nan 0.000 0.488 94 I N 0.971 121.337 120.570 -0.340 0.000 2.381 94 I HA -0.171 3.999 4.170 -0.000 0.000 0.255 94 I C 1.547 177.545 176.117 -0.198 0.000 1.140 94 I CA 1.043 62.169 61.300 -0.289 0.000 1.404 94 I CB -0.371 37.379 38.000 -0.415 0.000 1.075 94 I HN 0.389 nan 8.210 nan 0.000 0.433 95 W N 0.640 121.683 121.300 -0.427 0.000 2.538 95 W HA -0.051 4.609 4.660 -0.000 0.000 0.254 95 W C 2.432 178.758 176.519 -0.321 0.000 1.249 95 W CA 0.959 58.074 57.345 -0.383 0.000 1.253 95 W CB -1.196 27.960 29.460 -0.507 0.000 1.130 95 W HN 0.324 nan 8.180 nan 0.000 0.618 96 A N -0.293 122.444 122.820 -0.138 0.000 1.968 96 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 96 A C 1.968 179.648 177.584 0.161 0.000 1.169 96 A CA 1.159 53.266 52.037 0.118 0.000 0.638 96 A CB -0.777 18.325 19.000 0.170 0.000 0.812 96 A HN 0.133 nan 8.150 nan 0.000 0.446 97 L N 0.362 121.656 121.223 0.117 0.000 1.978 97 L HA -0.178 4.162 4.340 -0.000 0.000 0.218 97 L C 2.454 179.414 176.870 0.149 0.000 1.075 97 L CA 2.586 57.504 54.840 0.130 0.000 0.767 97 L CB -1.258 40.862 42.059 0.102 0.000 0.890 97 L HN 0.337 nan 8.230 nan 0.000 0.434 98 G N -0.918 107.978 108.800 0.160 0.000 2.514 98 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 98 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 98 G C -0.613 174.367 174.900 0.133 0.000 1.198 98 G CA 1.061 46.245 45.100 0.140 0.000 0.780 98 G HN 0.412 nan 8.290 nan 0.000 0.565 99 P HA -0.048 nan 4.420 nan 0.000 0.215 99 P C 2.175 179.603 177.300 0.214 0.000 1.153 99 P CA 0.714 63.912 63.100 0.164 0.000 0.853 99 P CB -0.152 31.670 31.700 0.203 0.000 0.788 100 L N -1.071 120.314 121.223 0.271 0.000 2.013 100 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 100 L C 2.310 179.339 176.870 0.265 0.000 1.073 100 L CA 1.633 56.692 54.840 0.366 0.000 0.753 100 L CB -1.151 41.093 42.059 0.308 0.000 0.890 100 L HN -0.102 nan 8.230 nan 0.000 0.432 101 V N -0.297 119.709 119.914 0.154 0.000 2.548 101 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 101 V C 2.682 178.808 176.094 0.053 0.000 1.055 101 V CA 1.498 63.849 62.300 0.084 0.000 1.065 101 V CB -0.783 31.081 31.823 0.068 0.000 0.681 101 V HN 0.453 nan 8.190 nan 0.000 0.462 102 A N 0.229 123.082 122.820 0.055 0.000 1.902 102 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 102 A C 2.428 179.983 177.584 -0.049 0.000 1.181 102 A CA 2.132 54.174 52.037 0.009 0.000 0.623 102 A CB -0.420 18.590 19.000 0.016 0.000 0.818 102 A HN 0.485 nan 8.150 nan 0.000 0.443 103 R N -2.373 118.080 120.500 -0.079 0.000 2.105 103 R HA 0.120 4.460 4.340 -0.000 0.000 0.214 103 R C 0.907 176.916 176.300 -0.484 0.000 1.091 103 R CA 1.038 56.941 56.100 -0.328 0.000 1.007 103 R CB -0.049 29.953 30.300 -0.496 0.000 0.912 103 R HN 0.464 nan 8.270 nan 0.000 0.450 104 F N -0.915 119.009 119.950 -0.044 0.000 2.682 104 F HA 0.395 4.922 4.527 -0.000 0.000 0.308 104 F C 1.352 177.024 175.800 -0.212 0.000 1.093 104 F CA 0.386 58.296 58.000 -0.150 0.000 1.244 104 F CB 1.338 40.160 39.000 -0.297 0.000 1.052 104 F HN 0.276 nan 8.300 nan 0.000 0.573 105 G N 1.030 109.824 108.800 -0.009 0.000 2.184 105 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.264 105 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.264 105 G C 0.093 174.957 174.900 -0.060 0.000 0.975 105 G CA 0.562 45.640 45.100 -0.036 0.000 0.642 105 G HN 0.515 nan 8.290 nan 0.000 0.536 106 Q N -1.693 118.045 119.800 -0.102 0.000 2.511 106 Q HA 0.709 5.049 4.340 -0.000 0.000 0.289 106 Q C -0.406 175.569 176.000 -0.041 0.000 1.021 106 Q CA -0.719 55.021 55.803 -0.104 0.000 0.785 106 Q CB 1.992 30.616 28.738 -0.191 0.000 1.472 106 Q HN 1.539 nan 8.270 nan 0.000 0.411 107 G N 0.867 109.687 108.800 0.034 0.000 2.658 107 G HA2 0.454 4.414 3.960 -0.000 0.000 0.301 107 G HA3 0.454 4.414 3.960 -0.000 0.000 0.301 107 G C -2.041 172.927 174.900 0.113 0.000 1.481 107 G CA -0.623 44.545 45.100 0.114 0.000 0.931 107 G HN 0.356 nan 8.290 nan 0.000 0.573 108 Q N 0.260 120.143 119.800 0.138 0.000 2.309 108 Q HA 0.648 4.988 4.340 -0.000 0.000 0.270 108 Q C -0.472 175.660 176.000 0.220 0.000 1.023 108 Q CA -0.625 55.268 55.803 0.150 0.000 0.758 108 Q CB 2.787 31.566 28.738 0.068 0.000 1.247 108 Q HN 0.484 nan 8.270 nan 0.000 0.455 109 V N 1.159 121.208 119.914 0.226 0.000 2.604 109 V HA 0.506 4.626 4.120 -0.000 0.000 0.305 109 V C -0.139 176.043 176.094 0.148 0.000 1.043 109 V CA -0.924 61.491 62.300 0.191 0.000 0.888 109 V CB 2.197 34.064 31.823 0.073 0.000 0.995 109 V HN 0.774 nan 8.190 nan 0.000 0.429 110 S N 4.751 120.464 115.700 0.022 0.000 2.537 110 S HA 0.190 4.660 4.470 -0.000 0.000 0.286 110 S C -0.120 174.370 174.600 -0.182 0.000 1.299 110 S CA -0.442 57.562 58.200 -0.326 0.000 1.067 110 S CB 0.114 63.097 63.200 -0.361 0.000 0.864 110 S HN 0.610 nan 8.310 nan 0.000 0.494 111 L N 7.260 128.381 121.223 -0.169 0.000 2.477 111 L HA 0.329 4.669 4.340 -0.000 0.000 0.272 111 L C -2.076 174.725 176.870 -0.116 0.000 1.157 111 L CA -1.283 53.488 54.840 -0.114 0.000 0.889 111 L CB 0.206 42.219 42.059 -0.076 0.000 1.158 111 L HN 0.561 nan 8.230 nan 0.000 0.473 112 P HA 0.152 nan 4.420 nan 0.000 0.268 112 P C 0.200 177.444 177.300 -0.092 0.000 1.204 112 P CA -0.129 62.888 63.100 -0.138 0.000 0.768 112 P CB 0.745 32.345 31.700 -0.166 0.000 0.842 113 G N 1.816 110.569 108.800 -0.079 0.000 2.666 113 G HA2 0.474 4.434 3.960 -0.000 0.000 0.207 113 G HA3 0.474 4.434 3.960 -0.000 0.000 0.207 113 G C 0.153 175.024 174.900 -0.048 0.000 1.481 113 G CA -0.369 44.706 45.100 -0.041 0.000 1.071 113 G HN 0.621 nan 8.290 nan 0.000 0.572 114 G N -1.978 106.803 108.800 -0.032 0.000 2.527 114 G HA2 0.412 4.372 3.960 -0.000 0.000 0.248 114 G HA3 0.412 4.372 3.960 -0.000 0.000 0.248 114 G C -0.674 174.196 174.900 -0.050 0.000 1.231 114 G CA 0.012 45.092 45.100 -0.033 0.000 0.838 114 G HN 0.641 nan 8.290 nan 0.000 0.570 115 C N 0.598 119.862 119.300 -0.059 0.000 2.707 115 C HA 0.638 5.098 4.460 -0.000 0.000 0.313 115 C C 1.998 176.940 174.990 -0.080 0.000 1.209 115 C CA 0.181 59.148 59.018 -0.084 0.000 1.635 115 C CB 1.247 28.910 27.740 -0.129 0.000 2.206 115 C HN 0.981 nan 8.230 nan 0.000 0.485 116 T N 0.631 115.131 114.554 -0.090 0.000 2.995 116 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 116 T C 1.391 176.034 174.700 -0.096 0.000 1.091 116 T CA 1.630 63.682 62.100 -0.079 0.000 1.128 116 T CB -0.324 68.494 68.868 -0.083 0.000 0.891 116 T HN 0.806 nan 8.240 nan 0.000 0.492 117 I N -1.365 119.109 120.570 -0.160 0.000 3.419 117 I HA 0.536 4.706 4.170 -0.000 0.000 0.286 117 I C 0.935 176.983 176.117 -0.115 0.000 1.268 117 I CA 0.123 61.307 61.300 -0.194 0.000 1.414 117 I CB -0.391 37.379 38.000 -0.384 0.000 1.074 117 I HN 0.437 nan 8.210 nan 0.000 0.457 118 G N 0.995 109.754 108.800 -0.068 0.000 2.362 118 G HA2 0.364 4.324 3.960 -0.000 0.000 0.288 118 G HA3 0.364 4.324 3.960 -0.000 0.000 0.288 118 G C -1.136 173.787 174.900 0.038 0.000 1.305 118 G CA -0.427 44.688 45.100 0.025 0.000 0.910 118 G HN 0.465 nan 8.290 nan 0.000 0.518 119 A N -0.013 122.849 122.820 0.070 0.000 2.524 119 A HA 0.617 4.937 4.320 -0.000 0.000 0.250 119 A C 0.769 178.406 177.584 0.088 0.000 1.078 119 A CA 0.402 52.474 52.037 0.058 0.000 0.761 119 A CB 0.013 19.044 19.000 0.051 0.000 1.012 119 A HN 0.618 nan 8.150 nan 0.000 0.500 120 R N 3.062 123.592 120.500 0.049 0.000 2.701 120 R HA 0.212 4.552 4.340 -0.000 0.000 0.281 120 R C -2.640 173.666 176.300 0.011 0.000 1.367 120 R CA -1.051 55.084 56.100 0.058 0.000 1.510 120 R CB 0.709 31.027 30.300 0.031 0.000 1.306 120 R HN 0.677 nan 8.270 nan 0.000 0.682 121 P HA 0.053 nan 4.420 nan 0.000 0.272 121 P C 0.669 177.973 177.300 0.008 0.000 1.230 121 P CA -0.078 63.023 63.100 0.002 0.000 0.788 121 P CB 1.172 32.882 31.700 0.016 0.000 0.949 122 V N -2.608 117.299 119.914 -0.011 0.000 2.988 122 V HA 0.087 4.207 4.120 -0.000 0.000 0.356 122 V C 1.330 177.480 176.094 0.094 0.000 1.380 122 V CA 0.082 62.388 62.300 0.010 0.000 1.184 122 V CB -0.457 31.221 31.823 -0.241 0.000 1.204 122 V HN 0.526 nan 8.190 nan 0.000 0.530 123 D N 1.450 121.891 120.400 0.069 0.000 2.158 123 D HA -0.281 4.359 4.640 -0.000 0.000 0.197 123 D C 1.762 178.110 176.300 0.079 0.000 0.995 123 D CA 1.770 55.806 54.000 0.060 0.000 0.846 123 D CB -0.102 40.720 40.800 0.036 0.000 0.941 123 D HN 0.544 nan 8.370 nan 0.000 0.456 124 L N -0.034 121.247 121.223 0.095 0.000 2.141 124 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 124 L C 2.840 179.736 176.870 0.043 0.000 1.094 124 L CA 1.008 55.876 54.840 0.047 0.000 0.763 124 L CB -0.612 41.449 42.059 0.003 0.000 0.908 124 L HN 0.145 nan 8.230 nan 0.000 0.437 125 H N -0.093 118.986 119.070 0.015 0.000 2.299 125 H HA -0.127 4.429 4.556 -0.000 0.000 0.302 125 H C 2.454 177.798 175.328 0.027 0.000 1.078 125 H CA 1.706 57.771 56.048 0.029 0.000 1.323 125 H CB 0.058 29.832 29.762 0.019 0.000 1.381 125 H HN 0.304 nan 8.280 nan 0.000 0.498 126 I N 0.367 121.036 120.570 0.165 0.000 2.099 126 I HA -0.304 3.866 4.170 -0.000 0.000 0.239 126 I C 2.933 179.088 176.117 0.063 0.000 1.066 126 I CA 1.325 62.681 61.300 0.092 0.000 1.324 126 I CB -0.352 37.686 38.000 0.063 0.000 1.037 126 I HN 0.167 nan 8.210 nan 0.000 0.401 127 S N 0.859 116.589 115.700 0.051 0.000 2.374 127 S HA -0.178 4.292 4.470 -0.000 0.000 0.227 127 S C 2.134 176.747 174.600 0.021 0.000 1.037 127 S CA 1.780 59.998 58.200 0.029 0.000 1.024 127 S CB -0.815 62.397 63.200 0.019 0.000 0.861 127 S HN 0.572 nan 8.310 nan 0.000 0.456 128 G N 1.312 110.124 108.800 0.020 0.000 2.440 128 G HA2 -0.109 3.850 3.960 -0.000 0.000 0.218 128 G HA3 -0.109 3.850 3.960 -0.000 0.000 0.218 128 G C 1.461 176.374 174.900 0.023 0.000 1.154 128 G CA 0.954 46.060 45.100 0.009 0.000 0.767 128 G HN 0.532 nan 8.290 nan 0.000 0.552 129 L N -0.151 121.096 121.223 0.041 0.000 2.109 129 L HA 0.015 4.355 4.340 -0.000 0.000 0.207 129 L C 2.857 179.747 176.870 0.033 0.000 1.086 129 L CA 0.933 55.799 54.840 0.044 0.000 0.760 129 L CB -0.346 41.751 42.059 0.063 0.000 0.910 129 L HN 0.282 nan 8.230 nan 0.000 0.437 130 E N -0.252 119.966 120.200 0.031 0.000 2.110 130 E HA -0.278 4.071 4.350 -0.000 0.000 0.193 130 E C 2.146 178.757 176.600 0.018 0.000 0.988 130 E CA 0.940 57.355 56.400 0.024 0.000 0.804 130 E CB -0.002 29.712 29.700 0.023 0.000 0.745 130 E HN 0.452 nan 8.360 nan 0.000 0.458 131 Q N 0.168 119.978 119.800 0.016 0.000 2.291 131 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 131 Q C 1.628 177.637 176.000 0.014 0.000 0.970 131 Q CA 0.590 56.400 55.803 0.012 0.000 0.876 131 Q CB 0.219 28.959 28.738 0.004 0.000 0.935 131 Q HN 0.272 nan 8.270 nan 0.000 0.455 132 L N -1.194 120.038 121.223 0.017 0.000 2.612 132 L HA 0.163 4.503 4.340 -0.000 0.000 0.230 132 L C 0.944 177.823 176.870 0.015 0.000 1.140 132 L CA 0.518 55.368 54.840 0.016 0.000 0.896 132 L CB 0.233 42.303 42.059 0.018 0.000 1.065 132 L HN 0.468 nan 8.230 nan 0.000 0.447 133 G N -0.388 108.421 108.800 0.015 0.000 2.179 133 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 133 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 133 G C 0.391 175.299 174.900 0.013 0.000 0.990 133 G CA -0.078 45.029 45.100 0.012 0.000 0.646 133 G HN 0.450 nan 8.290 nan 0.000 0.517 134 A N 0.228 123.059 122.820 0.018 0.000 2.371 134 A HA 0.694 5.013 4.320 -0.000 0.000 0.257 134 A C 0.603 178.199 177.584 0.020 0.000 1.089 134 A CA 1.079 53.128 52.037 0.021 0.000 0.794 134 A CB 0.454 19.472 19.000 0.030 0.000 1.029 134 A HN 0.728 nan 8.150 nan 0.000 0.488 135 T N 2.462 117.027 114.554 0.019 0.000 2.795 135 T HA 0.562 4.912 4.350 -0.000 0.000 0.282 135 T C -0.266 174.450 174.700 0.025 0.000 0.980 135 T CA 0.173 62.285 62.100 0.019 0.000 1.012 135 T CB 0.245 69.122 68.868 0.015 0.000 0.936 135 T HN 0.414 nan 8.240 nan 0.000 0.457 136 I N 3.920 124.507 120.570 0.028 0.000 2.466 136 I HA 0.475 4.645 4.170 -0.000 0.000 0.289 136 I C -0.163 175.973 176.117 0.033 0.000 1.026 136 I CA -0.998 60.323 61.300 0.034 0.000 1.078 136 I CB 1.960 39.983 38.000 0.039 0.000 1.249 136 I HN 0.593 nan 8.210 nan 0.000 0.429 137 K N 5.534 125.956 120.400 0.037 0.000 2.444 137 K HA 0.765 5.085 4.320 -0.000 0.000 0.252 137 K C -1.690 174.939 176.600 0.049 0.000 0.993 137 K CA -0.970 55.339 56.287 0.037 0.000 0.847 137 K CB 2.698 35.217 32.500 0.032 0.000 1.340 137 K HN 0.370 nan 8.250 nan 0.000 0.446 138 L N 2.036 123.286 121.223 0.045 0.000 2.318 138 L HA 0.361 4.701 4.340 -0.000 0.000 0.277 138 L C -1.406 175.500 176.870 0.059 0.000 1.008 138 L CA 0.131 55.004 54.840 0.054 0.000 0.846 138 L CB 0.928 43.008 42.059 0.035 0.000 1.220 138 L HN 0.838 nan 8.230 nan 0.000 0.423 139 E N 2.949 123.202 120.200 0.089 0.000 2.272 139 E HA 0.440 4.789 4.350 -0.000 0.000 0.269 139 E C -0.707 175.979 176.600 0.142 0.000 0.877 139 E CA -0.731 55.721 56.400 0.086 0.000 0.755 139 E CB 1.277 31.015 29.700 0.062 0.000 1.192 139 E HN 0.567 nan 8.360 nan 0.000 0.422 140 E N 1.037 121.302 120.200 0.108 0.000 2.722 140 E HA -0.300 4.050 4.350 -0.000 0.000 0.265 140 E C 0.688 177.377 176.600 0.148 0.000 1.081 140 E CA 0.603 57.085 56.400 0.137 0.000 0.781 140 E CB -1.682 28.130 29.700 0.186 0.000 1.372 140 E HN 1.160 nan 8.360 nan 0.000 0.423 141 G N -1.111 107.722 108.800 0.054 0.000 2.179 141 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.260 141 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.260 141 G C -0.177 174.624 174.900 -0.166 0.000 0.977 141 G CA 0.604 45.663 45.100 -0.067 0.000 0.641 141 G HN 0.342 nan 8.290 nan 0.000 0.533 142 Y N -0.455 119.863 120.300 0.030 0.000 2.330 142 Y HA 0.501 5.050 4.550 -0.000 0.000 0.336 142 Y C 0.712 176.627 175.900 0.025 0.000 1.036 142 Y CA -0.413 57.708 58.100 0.035 0.000 1.125 142 Y CB 2.033 40.516 38.460 0.038 0.000 1.194 142 Y HN 0.340 nan 8.280 nan 0.000 0.469 143 V N 5.207 125.204 119.914 0.137 0.000 2.405 143 V HA 0.295 4.415 4.120 -0.000 0.000 0.264 143 V C -0.636 175.532 176.094 0.123 0.000 1.048 143 V CA -0.521 61.838 62.300 0.098 0.000 0.966 143 V CB -0.038 31.814 31.823 0.048 0.000 1.015 143 V HN 0.702 nan 8.190 nan 0.000 0.477 144 K N 6.387 126.849 120.400 0.102 0.000 2.293 144 K HA 0.749 5.069 4.320 -0.000 0.000 0.267 144 K C -0.286 176.350 176.600 0.060 0.000 1.010 144 K CA -0.232 56.106 56.287 0.084 0.000 0.875 144 K CB 1.907 34.449 32.500 0.070 0.000 1.106 144 K HN 0.883 nan 8.250 nan 0.000 0.450 145 A N 1.947 124.802 122.820 0.058 0.000 2.340 145 A HA 0.738 5.057 4.320 -0.000 0.000 0.331 145 A C -0.563 177.039 177.584 0.029 0.000 1.140 145 A CA -0.607 51.458 52.037 0.046 0.000 0.801 145 A CB 1.087 20.121 19.000 0.057 0.000 1.234 145 A HN 0.692 nan 8.150 nan 0.000 0.469 146 S N -0.244 115.467 115.700 0.019 0.000 2.537 146 S HA 0.705 5.175 4.470 -0.000 0.000 0.270 146 S C -1.345 173.257 174.600 0.004 0.000 1.142 146 S CA -0.589 57.612 58.200 0.003 0.000 0.870 146 S CB 1.234 64.433 63.200 -0.002 0.000 1.112 146 S HN 2.008 nan 8.310 nan 0.000 0.466 147 V N 1.133 121.044 119.914 -0.005 0.000 2.777 147 V HA 0.520 4.640 4.120 -0.000 0.000 0.306 147 V C -1.674 174.414 176.094 -0.010 0.000 1.112 147 V CA -0.555 61.743 62.300 -0.004 0.000 0.917 147 V CB 1.951 33.774 31.823 -0.001 0.000 1.018 147 V HN 1.096 nan 8.190 nan 0.000 0.426 148 D N 4.944 125.340 120.400 -0.007 0.000 2.359 148 D HA 0.553 5.193 4.640 -0.000 0.000 0.250 148 D C 0.688 176.981 176.300 -0.010 0.000 1.264 148 D CA 2.215 56.209 54.000 -0.009 0.000 0.911 148 D CB 0.557 41.354 40.800 -0.005 0.000 1.056 148 D HN 1.312 nan 8.370 nan 0.000 0.499 149 G N 4.242 113.033 108.800 -0.015 0.000 2.496 149 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.243 149 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.243 149 G C -0.317 174.570 174.900 -0.022 0.000 1.176 149 G CA -0.121 44.968 45.100 -0.017 0.000 0.940 149 G HN 0.692 nan 8.290 nan 0.000 0.573 150 R N -0.216 120.272 120.500 -0.020 0.000 2.782 150 R HA 0.796 5.136 4.340 -0.000 0.000 0.258 150 R C 0.468 176.760 176.300 -0.012 0.000 1.055 150 R CA -1.012 55.075 56.100 -0.021 0.000 1.065 150 R CB 1.112 31.396 30.300 -0.027 0.000 1.172 150 R HN 0.500 nan 8.270 nan 0.000 0.510 151 L N 0.910 122.127 121.223 -0.010 0.000 2.468 151 L HA 0.211 4.551 4.340 -0.000 0.000 0.253 151 L C 0.225 177.093 176.870 -0.003 0.000 1.237 151 L CA -0.084 54.755 54.840 -0.002 0.000 0.823 151 L CB 0.198 42.258 42.059 0.002 0.000 1.124 151 L HN 0.436 nan 8.230 nan 0.000 0.504 152 K N 0.684 121.085 120.400 0.002 0.000 2.507 152 K HA 0.333 4.653 4.320 -0.000 0.000 0.251 152 K C -0.394 176.210 176.600 0.008 0.000 0.943 152 K CA -0.535 55.754 56.287 0.003 0.000 0.794 152 K CB 1.748 34.250 32.500 0.004 0.000 1.188 152 K HN 0.702 nan 8.250 nan 0.000 0.428 153 G N 1.071 109.875 108.800 0.007 0.000 2.391 153 G HA2 0.367 4.327 3.960 -0.000 0.000 0.234 153 G HA3 0.367 4.327 3.960 -0.000 0.000 0.234 153 G C -0.438 174.476 174.900 0.023 0.000 1.284 153 G CA 0.088 45.196 45.100 0.013 0.000 0.873 153 G HN 0.655 nan 8.290 nan 0.000 0.549 154 A N 1.405 124.248 122.820 0.037 0.000 2.593 154 A HA 0.656 4.975 4.320 -0.000 0.000 0.290 154 A C -0.782 176.868 177.584 0.109 0.000 1.126 154 A CA -0.719 51.354 52.037 0.059 0.000 0.695 154 A CB 1.157 20.181 19.000 0.041 0.000 1.290 154 A HN 0.905 nan 8.150 nan 0.000 0.414 155 H N 1.249 120.318 119.070 -0.002 0.000 2.761 155 H HA 0.533 5.089 4.556 -0.000 0.000 0.284 155 H C -1.096 174.231 175.328 -0.002 0.000 1.105 155 H CA -0.181 55.866 56.048 -0.003 0.000 1.352 155 H CB 0.139 29.899 29.762 -0.003 0.000 1.423 155 H HN 0.439 nan 8.280 nan 0.000 0.464 156 I N 6.484 126.968 120.570 -0.142 0.000 2.355 156 I HA 0.129 4.298 4.170 -0.000 0.000 0.288 156 I C -0.364 175.622 176.117 -0.218 0.000 0.999 156 I CA -0.887 60.322 61.300 -0.152 0.000 1.163 156 I CB 1.771 39.735 38.000 -0.060 0.000 1.316 156 I HN 0.264 nan 8.210 nan 0.000 0.454 157 V N 6.977 126.755 119.914 -0.227 0.000 2.350 157 V HA 0.323 4.443 4.120 -0.000 0.000 0.276 157 V C 0.527 176.562 176.094 -0.098 0.000 1.028 157 V CA -0.503 61.688 62.300 -0.182 0.000 0.860 157 V CB 1.249 32.959 31.823 -0.188 0.000 0.990 157 V HN 0.646 nan 8.190 nan 0.000 0.453 158 M N 3.111 122.666 119.600 -0.074 0.000 2.188 158 M HA 0.191 4.671 4.480 -0.000 0.000 0.354 158 M C 1.143 177.419 176.300 -0.040 0.000 1.342 158 M CA -0.095 55.174 55.300 -0.051 0.000 1.117 158 M CB 0.584 33.157 32.600 -0.045 0.000 1.670 158 M HN 0.622 nan 8.290 nan 0.000 0.466 159 D N 3.207 123.588 120.400 -0.032 0.000 2.116 159 D HA -0.116 4.524 4.640 -0.000 0.000 0.193 159 D C 0.347 176.634 176.300 -0.022 0.000 0.998 159 D CA 1.583 55.569 54.000 -0.024 0.000 0.836 159 D CB 0.527 41.317 40.800 -0.016 0.000 0.951 159 D HN 0.633 nan 8.370 nan 0.000 0.449 160 K N -1.189 119.197 120.400 -0.022 0.000 2.439 160 K HA 0.493 4.812 4.320 -0.000 0.000 0.260 160 K C -0.845 175.739 176.600 -0.026 0.000 1.032 160 K CA -0.887 55.386 56.287 -0.023 0.000 0.882 160 K CB 1.909 34.395 32.500 -0.023 0.000 1.420 160 K HN -0.336 nan 8.250 nan 0.000 0.455 161 V N 1.481 121.378 119.914 -0.028 0.000 2.455 161 V HA 0.221 4.340 4.120 -0.000 0.000 0.273 161 V C -0.387 175.690 176.094 -0.028 0.000 1.045 161 V CA 0.030 62.316 62.300 -0.024 0.000 0.976 161 V CB 0.771 32.581 31.823 -0.020 0.000 0.993 161 V HN 0.778 nan 8.190 nan 0.000 0.475 162 S N 4.178 119.866 115.700 -0.020 0.000 2.677 162 S HA 0.372 4.842 4.470 -0.000 0.000 0.283 162 S C 0.500 175.111 174.600 0.018 0.000 1.159 162 S CA -0.603 57.591 58.200 -0.010 0.000 1.001 162 S CB 1.855 65.043 63.200 -0.021 0.000 1.032 162 S HN 0.311 nan 8.310 nan 0.000 0.487 163 V N 5.373 125.321 119.914 0.057 0.000 2.255 163 V HA -0.052 4.068 4.120 -0.000 0.000 0.247 163 V C 2.685 178.908 176.094 0.214 0.000 1.051 163 V CA 2.672 65.046 62.300 0.122 0.000 1.018 163 V CB -1.239 30.675 31.823 0.152 0.000 0.641 163 V HN 0.951 nan 8.190 nan 0.000 0.445 164 G N -0.586 108.346 108.800 0.220 0.000 2.433 164 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 164 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 164 G C 1.765 176.714 174.900 0.083 0.000 1.186 164 G CA 1.089 46.398 45.100 0.349 0.000 0.779 164 G HN 0.620 nan 8.290 nan 0.000 0.543 165 A N 0.043 122.593 122.820 -0.449 0.000 1.930 165 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 165 A C 2.513 179.980 177.584 -0.195 0.000 1.175 165 A CA 2.369 53.996 52.037 -0.684 0.000 0.627 165 A CB -0.934 17.761 19.000 -0.509 0.000 0.815 165 A HN 0.292 nan 8.150 nan 0.000 0.443 166 T N -0.255 114.255 114.554 -0.072 0.000 2.684 166 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 166 T C 1.872 176.573 174.700 0.001 0.000 1.036 166 T CA 1.728 63.815 62.100 -0.021 0.000 1.148 166 T CB -0.434 68.436 68.868 0.002 0.000 0.863 166 T HN 0.152 nan 8.240 nan 0.000 0.436 167 V N 1.257 121.203 119.914 0.055 0.000 2.343 167 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 167 V C 2.774 178.866 176.094 -0.003 0.000 1.051 167 V CA 2.033 64.324 62.300 -0.014 0.000 1.036 167 V CB -1.084 30.666 31.823 -0.121 0.000 0.654 167 V HN 0.537 nan 8.190 nan 0.000 0.451 168 T N 0.403 115.041 114.554 0.140 0.000 2.652 168 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 168 T C 1.777 176.515 174.700 0.064 0.000 1.039 168 T CA 2.155 64.354 62.100 0.166 0.000 1.153 168 T CB -0.304 68.713 68.868 0.248 0.000 0.863 168 T HN 0.360 nan 8.240 nan 0.000 0.428 169 I N 0.613 121.194 120.570 0.018 0.000 2.202 169 I HA -0.150 4.020 4.170 -0.000 0.000 0.242 169 I C 2.601 178.720 176.117 0.003 0.000 1.091 169 I CA 1.188 62.493 61.300 0.009 0.000 1.368 169 I CB -0.405 37.589 38.000 -0.011 0.000 1.058 169 I HN 0.243 nan 8.210 nan 0.000 0.410 170 M N 0.243 119.837 119.600 -0.008 0.000 2.082 170 M HA -0.296 4.184 4.480 -0.000 0.000 0.258 170 M C 2.510 178.799 176.300 -0.017 0.000 1.069 170 M CA 2.096 57.386 55.300 -0.016 0.000 1.102 170 M CB -0.249 32.335 32.600 -0.027 0.000 1.336 170 M HN 0.380 nan 8.290 nan 0.000 0.404 171 C N 0.341 119.629 119.300 -0.020 0.000 2.432 171 C HA -0.063 4.397 4.460 -0.000 0.000 0.277 171 C C 3.010 178.004 174.990 0.007 0.000 1.249 171 C CA 1.030 60.041 59.018 -0.012 0.000 1.725 171 C CB -1.550 26.180 27.740 -0.017 0.000 2.028 171 C HN 0.756 nan 8.230 nan 0.000 0.477 172 A N 0.453 123.287 122.820 0.022 0.000 1.933 172 A HA 0.048 4.368 4.320 -0.000 0.000 0.218 172 A C 2.311 179.900 177.584 0.009 0.000 1.175 172 A CA 2.016 54.070 52.037 0.028 0.000 0.628 172 A CB -0.782 18.243 19.000 0.042 0.000 0.814 172 A HN 0.599 nan 8.150 nan 0.000 0.444 173 A N -0.185 122.637 122.820 0.004 0.000 2.067 173 A HA -0.035 4.285 4.320 -0.000 0.000 0.219 173 A C 2.289 179.865 177.584 -0.012 0.000 1.158 173 A CA 2.109 54.144 52.037 -0.002 0.000 0.661 173 A CB -1.326 17.674 19.000 0.000 0.000 0.801 173 A HN 0.803 nan 8.150 nan 0.000 0.452 174 T N -2.140 112.403 114.554 -0.018 0.000 2.977 174 T HA -0.005 4.345 4.350 -0.000 0.000 0.271 174 T C 1.055 175.734 174.700 -0.035 0.000 1.105 174 T CA 1.385 63.466 62.100 -0.031 0.000 1.116 174 T CB -0.346 68.497 68.868 -0.042 0.000 0.878 174 T HN 0.322 nan 8.240 nan 0.000 0.509 175 L N 0.349 121.553 121.223 -0.030 0.000 3.168 175 L HA 0.599 4.939 4.340 -0.000 0.000 0.277 175 L C 0.949 177.801 176.870 -0.031 0.000 1.245 175 L CA -0.646 54.171 54.840 -0.038 0.000 1.035 175 L CB -0.000 42.029 42.059 -0.050 0.000 1.399 175 L HN 0.274 nan 8.230 nan 0.000 0.580 176 A N -0.089 122.718 122.820 -0.021 0.000 2.248 176 A HA 0.479 4.799 4.320 -0.000 0.000 0.316 176 A C -0.085 177.490 177.584 -0.016 0.000 1.101 176 A CA -0.387 51.641 52.037 -0.015 0.000 0.875 176 A CB 0.565 19.561 19.000 -0.007 0.000 1.207 176 A HN 0.255 nan 8.150 nan 0.000 0.504 177 E N 0.062 120.254 120.200 -0.012 0.000 2.105 177 E HA 0.445 4.795 4.350 -0.000 0.000 0.285 177 E C 0.645 177.240 176.600 -0.008 0.000 1.055 177 E CA 0.931 57.324 56.400 -0.012 0.000 0.843 177 E CB 0.498 30.192 29.700 -0.010 0.000 1.067 177 E HN 1.242 nan 8.360 nan 0.000 0.398 178 G N 2.828 111.622 108.800 -0.010 0.000 2.512 178 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.210 178 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.210 178 G C -0.368 174.528 174.900 -0.007 0.000 1.295 178 G CA -0.677 44.417 45.100 -0.009 0.000 0.934 178 G HN 0.453 nan 8.290 nan 0.000 0.554 179 T N 1.355 115.906 114.554 -0.004 0.000 2.794 179 T HA 0.668 5.018 4.350 -0.000 0.000 0.280 179 T C 0.084 174.791 174.700 0.012 0.000 0.987 179 T CA 0.370 62.469 62.100 -0.001 0.000 0.993 179 T CB 1.411 70.275 68.868 -0.008 0.000 0.939 179 T HN 0.742 nan 8.240 nan 0.000 0.449 180 T N 3.943 118.507 114.554 0.017 0.000 2.824 180 T HA 0.632 4.982 4.350 -0.000 0.000 0.280 180 T C -0.196 174.533 174.700 0.049 0.000 0.995 180 T CA -0.492 61.629 62.100 0.034 0.000 1.009 180 T CB 0.607 69.489 68.868 0.022 0.000 0.955 180 T HN 0.407 nan 8.240 nan 0.000 0.452 181 I N 3.438 124.068 120.570 0.099 0.000 2.447 181 I HA 0.429 4.599 4.170 -0.000 0.000 0.287 181 I C -0.590 175.597 176.117 0.116 0.000 1.023 181 I CA -0.722 60.661 61.300 0.137 0.000 1.083 181 I CB 1.644 39.782 38.000 0.229 0.000 1.245 181 I HN 0.465 nan 8.210 nan 0.000 0.434 182 I N 6.093 126.695 120.570 0.053 0.000 2.307 182 I HA 0.269 4.439 4.170 -0.000 0.000 0.289 182 I C -0.017 176.102 176.117 0.003 0.000 1.021 182 I CA -0.533 60.770 61.300 0.006 0.000 1.224 182 I CB 0.754 38.752 38.000 -0.002 0.000 1.376 182 I HN 0.450 nan 8.210 nan 0.000 0.470 183 E N 6.079 126.255 120.200 -0.040 0.000 2.216 183 E HA 0.169 4.519 4.350 -0.000 0.000 0.279 183 E C 0.057 176.637 176.600 -0.034 0.000 0.997 183 E CA -0.435 55.946 56.400 -0.031 0.000 0.817 183 E CB 1.540 31.197 29.700 -0.072 0.000 1.096 183 E HN 0.656 nan 8.360 nan 0.000 0.393 184 N N 0.649 119.340 118.700 -0.015 0.000 2.780 184 N HA -0.205 4.534 4.740 -0.000 0.000 0.248 184 N C -0.710 174.792 175.510 -0.012 0.000 1.102 184 N CA 0.193 53.235 53.050 -0.014 0.000 0.697 184 N CB -0.421 38.052 38.487 -0.023 0.000 1.028 184 N HN 0.553 nan 8.380 nan 0.000 0.554 185 A N 0.378 123.195 122.820 -0.005 0.000 2.386 185 A HA 0.650 4.970 4.320 -0.000 0.000 0.248 185 A C 0.848 178.437 177.584 0.008 0.000 1.082 185 A CA 0.407 52.443 52.037 -0.002 0.000 0.789 185 A CB 0.645 19.647 19.000 0.003 0.000 1.025 185 A HN 0.591 nan 8.150 nan 0.000 0.490 186 A N 0.835 123.662 122.820 0.012 0.000 2.407 186 A HA 0.503 4.822 4.320 -0.000 0.000 0.248 186 A C 0.731 178.339 177.584 0.040 0.000 1.082 186 A CA -0.255 51.799 52.037 0.027 0.000 0.785 186 A CB 0.076 19.095 19.000 0.032 0.000 1.020 186 A HN 0.781 nan 8.150 nan 0.000 0.489 187 R N 0.331 120.872 120.500 0.068 0.000 2.432 187 R HA 0.175 4.515 4.340 -0.000 0.000 0.260 187 R C -0.464 175.900 176.300 0.107 0.000 0.935 187 R CA -0.132 56.025 56.100 0.096 0.000 1.080 187 R CB 0.144 30.517 30.300 0.123 0.000 1.155 187 R HN 0.771 nan 8.270 nan 0.000 0.531 188 E N 1.346 121.568 120.200 0.038 0.000 2.568 188 E HA -0.067 4.283 4.350 -0.000 0.000 0.262 188 E C -1.581 174.916 176.600 -0.171 0.000 0.961 188 E CA -0.923 55.400 56.400 -0.129 0.000 0.945 188 E CB 0.432 30.097 29.700 -0.060 0.000 0.924 188 E HN -0.056 nan 8.360 nan 0.000 0.467 189 P HA -0.184 nan 4.420 nan 0.000 0.217 189 P C 0.345 177.594 177.300 -0.085 0.000 1.148 189 P CA 1.257 64.251 63.100 -0.178 0.000 0.828 189 P CB 0.284 31.855 31.700 -0.215 0.000 0.783 190 E N -0.964 119.187 120.200 -0.082 0.000 2.204 190 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 190 E C 1.954 178.530 176.600 -0.040 0.000 0.989 190 E CA 0.734 57.110 56.400 -0.040 0.000 0.824 190 E CB -0.803 28.887 29.700 -0.018 0.000 0.756 190 E HN 0.295 nan 8.360 nan 0.000 0.477 191 I N -0.141 120.407 120.570 -0.035 0.000 2.439 191 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 191 I C 1.875 177.976 176.117 -0.027 0.000 1.139 191 I CA 0.545 61.825 61.300 -0.033 0.000 1.438 191 I CB -0.094 37.899 38.000 -0.011 0.000 1.085 191 I HN 0.029 nan 8.210 nan 0.000 0.427 192 V N 0.742 120.647 119.914 -0.014 0.000 2.307 192 V HA -0.306 3.814 4.120 -0.000 0.000 0.245 192 V C 2.158 178.265 176.094 0.022 0.000 1.045 192 V CA 2.172 64.476 62.300 0.006 0.000 1.024 192 V CB -0.570 31.262 31.823 0.015 0.000 0.651 192 V HN 0.367 nan 8.190 nan 0.000 0.449 193 D N -0.165 120.255 120.400 0.035 0.000 2.123 193 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 193 D C 2.273 178.563 176.300 -0.017 0.000 0.992 193 D CA 1.881 55.937 54.000 0.094 0.000 0.833 193 D CB -0.179 40.685 40.800 0.108 0.000 0.954 193 D HN 0.392 nan 8.370 nan 0.000 0.455 194 T N -0.345 114.174 114.554 -0.059 0.000 2.746 194 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 194 T C 1.908 176.576 174.700 -0.054 0.000 1.039 194 T CA 1.520 63.566 62.100 -0.091 0.000 1.142 194 T CB -0.442 68.345 68.868 -0.135 0.000 0.866 194 T HN 0.227 nan 8.240 nan 0.000 0.444 195 A N 2.303 125.093 122.820 -0.050 0.000 1.902 195 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 195 A C 2.236 179.781 177.584 -0.065 0.000 1.181 195 A CA 1.497 53.506 52.037 -0.047 0.000 0.623 195 A CB -0.603 18.381 19.000 -0.028 0.000 0.818 195 A HN 0.377 nan 8.150 nan 0.000 0.443 196 N N -0.974 117.697 118.700 -0.048 0.000 2.244 196 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 196 N C 1.352 176.729 175.510 -0.221 0.000 1.016 196 N CA 1.404 54.438 53.050 -0.027 0.000 0.866 196 N CB -0.595 37.987 38.487 0.159 0.000 0.980 196 N HN 0.583 nan 8.380 nan 0.000 0.430 197 F N 1.621 121.124 119.950 -0.746 0.000 2.113 197 F HA -0.018 4.509 4.527 -0.000 0.000 0.297 197 F C 1.989 177.573 175.800 -0.360 0.000 1.103 197 F CA 0.997 58.461 58.000 -0.894 0.000 1.248 197 F CB -0.443 37.995 39.000 -0.937 0.000 0.999 197 F HN -0.083 nan 8.300 nan 0.000 0.475 198 L N 0.175 121.180 121.223 -0.363 0.000 2.043 198 L HA -0.272 4.067 4.340 -0.000 0.000 0.212 198 L C 2.552 179.243 176.870 -0.297 0.000 1.075 198 L CA 1.701 56.328 54.840 -0.354 0.000 0.752 198 L CB -0.763 41.209 42.059 -0.146 0.000 0.891 198 L HN 0.229 nan 8.230 nan 0.000 0.432 199 I N -0.722 119.729 120.570 -0.198 0.000 2.286 199 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 199 I C 2.451 178.482 176.117 -0.143 0.000 1.115 199 I CA 1.422 62.644 61.300 -0.130 0.000 1.392 199 I CB -0.417 37.542 38.000 -0.067 0.000 1.065 199 I HN 0.245 nan 8.210 nan 0.000 0.418 200 T N 1.170 115.616 114.554 -0.181 0.000 2.803 200 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 200 T C 1.717 176.298 174.700 -0.197 0.000 1.052 200 T CA 1.133 63.150 62.100 -0.138 0.000 1.136 200 T CB -0.189 68.637 68.868 -0.071 0.000 0.864 200 T HN 0.288 nan 8.240 nan 0.000 0.467 201 L N -0.077 120.949 121.223 -0.329 0.000 2.554 201 L HA 0.260 4.600 4.340 -0.000 0.000 0.226 201 L C 1.846 178.614 176.870 -0.169 0.000 1.137 201 L CA 0.458 55.130 54.840 -0.279 0.000 0.863 201 L CB -0.161 41.661 42.059 -0.394 0.000 0.985 201 L HN 0.476 nan 8.230 nan 0.000 0.451 202 G N -0.351 108.363 108.800 -0.143 0.000 2.154 202 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.186 202 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.186 202 G C 0.260 175.106 174.900 -0.090 0.000 1.000 202 G CA -0.190 44.852 45.100 -0.096 0.000 0.664 202 G HN 0.413 nan 8.290 nan 0.000 0.513 203 A N -0.068 122.686 122.820 -0.110 0.000 2.332 203 A HA 0.738 5.058 4.320 -0.000 0.000 0.258 203 A C 0.423 177.968 177.584 -0.066 0.000 1.087 203 A CA 0.084 52.068 52.037 -0.088 0.000 0.802 203 A CB 0.508 19.446 19.000 -0.103 0.000 1.042 203 A HN 0.349 nan 8.150 nan 0.000 0.489 204 K N 1.166 121.536 120.400 -0.050 0.000 2.473 204 K HA 0.557 4.876 4.320 -0.000 0.000 0.246 204 K C -1.504 175.077 176.600 -0.031 0.000 1.011 204 K CA 0.325 56.590 56.287 -0.037 0.000 0.984 204 K CB 0.991 33.472 32.500 -0.030 0.000 1.250 204 K HN 0.580 nan 8.250 nan 0.000 0.454 205 I N 1.571 122.124 120.570 -0.029 0.000 2.545 205 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 205 I C -0.374 175.735 176.117 -0.014 0.000 1.040 205 I CA -0.655 60.632 61.300 -0.022 0.000 1.068 205 I CB 2.291 40.274 38.000 -0.028 0.000 1.251 205 I HN 0.514 nan 8.210 nan 0.000 0.424 206 S N 2.459 118.154 115.700 -0.007 0.000 2.546 206 S HA 0.815 5.285 4.470 -0.000 0.000 0.274 206 S C 0.176 174.777 174.600 0.003 0.000 1.121 206 S CA -0.013 58.186 58.200 -0.002 0.000 0.887 206 S CB 2.034 65.233 63.200 -0.002 0.000 1.094 206 S HN 1.310 nan 8.310 nan 0.000 0.474 207 G N 0.991 109.795 108.800 0.006 0.000 2.176 207 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.232 207 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.232 207 G C 0.112 175.019 174.900 0.013 0.000 0.986 207 G CA 0.035 45.141 45.100 0.010 0.000 0.643 207 G HN 1.288 nan 8.290 nan 0.000 0.522 208 Q N 0.407 120.213 119.800 0.010 0.000 2.283 208 Q HA 0.365 4.705 4.340 -0.000 0.000 0.301 208 Q C 1.185 177.198 176.000 0.021 0.000 1.063 208 Q CA 1.185 56.995 55.803 0.012 0.000 0.952 208 Q CB 0.743 29.485 28.738 0.006 0.000 1.166 208 Q HN 1.881 nan 8.270 nan 0.000 0.381 209 G N 2.163 110.979 108.800 0.027 0.000 2.194 209 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.236 209 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.236 209 G C 0.226 175.153 174.900 0.045 0.000 0.987 209 G CA 0.417 45.544 45.100 0.045 0.000 0.635 209 G HN 1.191 nan 8.290 nan 0.000 0.520 210 T N -1.995 112.578 114.554 0.031 0.000 2.927 210 T HA 0.563 4.912 4.350 -0.000 0.000 0.286 210 T C 0.991 175.705 174.700 0.022 0.000 1.040 210 T CA 0.656 62.771 62.100 0.025 0.000 1.010 210 T CB 1.759 70.638 68.868 0.019 0.000 1.177 210 T HN 0.190 nan 8.240 nan 0.000 0.546 211 D N -0.752 119.659 120.400 0.018 0.000 2.371 211 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 211 D C 0.747 177.057 176.300 0.016 0.000 0.986 211 D CA 0.329 54.338 54.000 0.014 0.000 0.899 211 D CB -0.083 40.723 40.800 0.010 0.000 0.902 211 D HN 0.596 nan 8.370 nan 0.000 0.530 212 R N 0.457 120.969 120.500 0.020 0.000 2.435 212 R HA 0.498 4.838 4.340 -0.000 0.000 0.308 212 R C -1.239 175.075 176.300 0.023 0.000 0.975 212 R CA -0.548 55.569 56.100 0.027 0.000 0.867 212 R CB 0.621 30.942 30.300 0.035 0.000 1.171 212 R HN -0.023 nan 8.270 nan 0.000 0.470 213 I N 4.831 125.414 120.570 0.022 0.000 2.354 213 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 213 I C -0.510 175.619 176.117 0.020 0.000 0.989 213 I CA -1.207 60.102 61.300 0.015 0.000 1.188 213 I CB 2.056 40.060 38.000 0.007 0.000 1.342 213 I HN 0.279 nan 8.210 nan 0.000 0.457 214 V N 7.535 127.457 119.914 0.013 0.000 2.384 214 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 214 V C -0.244 175.851 176.094 0.001 0.000 1.020 214 V CA -0.442 61.865 62.300 0.011 0.000 0.850 214 V CB 1.666 33.493 31.823 0.006 0.000 0.987 214 V HN 0.428 nan 8.190 nan 0.000 0.436 215 I N 4.231 124.802 120.570 0.002 0.000 2.389 215 I HA 0.424 4.593 4.170 -0.000 0.000 0.288 215 I C -0.010 176.102 176.117 -0.009 0.000 0.999 215 I CA -0.354 60.942 61.300 -0.007 0.000 1.129 215 I CB 1.851 39.846 38.000 -0.008 0.000 1.288 215 I HN 0.738 nan 8.210 nan 0.000 0.444 216 E N 5.523 125.714 120.200 -0.015 0.000 2.081 216 E HA 0.579 4.929 4.350 -0.000 0.000 0.276 216 E C 0.149 176.737 176.600 -0.021 0.000 0.950 216 E CA -0.741 55.649 56.400 -0.016 0.000 0.776 216 E CB 1.074 30.763 29.700 -0.017 0.000 1.094 216 E HN 0.773 nan 8.360 nan 0.000 0.402 217 G N 2.911 111.700 108.800 -0.019 0.000 2.353 217 G HA2 0.318 4.278 3.960 -0.000 0.000 0.239 217 G HA3 0.318 4.278 3.960 -0.000 0.000 0.239 217 G C 0.105 174.988 174.900 -0.028 0.000 1.295 217 G CA 0.146 45.232 45.100 -0.023 0.000 0.884 217 G HN 0.646 nan 8.290 nan 0.000 0.537 218 V N -0.122 119.771 119.914 -0.034 0.000 3.158 218 V HA 0.688 4.807 4.120 -0.000 0.000 0.315 218 V C 0.916 176.986 176.094 -0.040 0.000 1.148 218 V CA -0.150 62.128 62.300 -0.037 0.000 1.042 218 V CB 2.072 33.870 31.823 -0.042 0.000 1.101 218 V HN 0.882 nan 8.190 nan 0.000 0.448 219 E N 1.208 121.384 120.200 -0.040 0.000 2.318 219 E HA 0.180 4.530 4.350 -0.000 0.000 0.193 219 E C 0.608 177.176 176.600 -0.053 0.000 0.998 219 E CA 0.048 56.423 56.400 -0.043 0.000 0.859 219 E CB 0.328 30.007 29.700 -0.036 0.000 0.812 219 E HN 0.819 nan 8.360 nan 0.000 0.492 220 R N 0.017 120.485 120.500 -0.053 0.000 2.664 220 R HA 0.437 4.777 4.340 -0.000 0.000 0.266 220 R C -1.825 174.438 176.300 -0.061 0.000 1.046 220 R CA -0.826 55.237 56.100 -0.061 0.000 0.885 220 R CB 0.818 31.085 30.300 -0.055 0.000 1.254 220 R HN 0.022 nan 8.270 nan 0.000 0.465 221 L N 1.309 122.492 121.223 -0.067 0.000 2.346 221 L HA 0.631 4.971 4.340 -0.000 0.000 0.274 221 L C 0.798 177.628 176.870 -0.066 0.000 1.007 221 L CA -0.573 54.220 54.840 -0.078 0.000 0.818 221 L CB 2.149 44.151 42.059 -0.095 0.000 1.284 221 L HN 0.984 nan 8.230 nan 0.000 0.424 222 G N 0.605 109.360 108.800 -0.074 0.000 2.975 222 G HA2 0.662 4.622 3.960 -0.000 0.000 0.159 222 G HA3 0.662 4.622 3.960 -0.000 0.000 0.159 222 G C -0.144 174.725 174.900 -0.051 0.000 1.525 222 G CA 0.160 45.229 45.100 -0.051 0.000 1.075 222 G HN 0.747 nan 8.290 nan 0.000 0.574 223 G N -2.950 105.829 108.800 -0.034 0.000 3.211 223 G HA2 0.746 4.706 3.960 -0.000 0.000 0.262 223 G HA3 0.746 4.706 3.960 -0.000 0.000 0.262 223 G C -0.246 174.646 174.900 -0.013 0.000 1.352 223 G CA 0.053 45.149 45.100 -0.008 0.000 1.004 223 G HN 1.833 nan 8.290 nan 0.000 0.559 224 G N -2.683 106.141 108.800 0.040 0.000 2.352 224 G HA2 0.490 4.450 3.960 -0.000 0.000 0.283 224 G HA3 0.490 4.450 3.960 -0.000 0.000 0.283 224 G C -2.003 172.969 174.900 0.120 0.000 1.308 224 G CA 0.110 45.245 45.100 0.057 0.000 0.892 224 G HN 1.325 nan 8.290 nan 0.000 0.504 225 V N 0.327 120.321 119.914 0.133 0.000 2.656 225 V HA 0.769 4.889 4.120 -0.000 0.000 0.307 225 V C -1.249 174.988 176.094 0.239 0.000 1.051 225 V CA -0.572 61.821 62.300 0.156 0.000 0.893 225 V CB 1.645 33.522 31.823 0.089 0.000 0.999 225 V HN 0.971 nan 8.190 nan 0.000 0.426 226 Y N 3.859 124.223 120.300 0.106 0.000 2.479 226 Y HA 0.590 5.139 4.550 -0.000 0.000 0.338 226 Y C -0.324 175.597 175.900 0.036 0.000 1.055 226 Y CA -0.790 57.379 58.100 0.115 0.000 1.023 226 Y CB 1.693 40.330 38.460 0.295 0.000 1.287 226 Y HN 0.618 nan 8.280 nan 0.000 0.447 227 R N 4.958 125.166 120.500 -0.486 0.000 2.294 227 R HA 0.632 4.972 4.340 -0.000 0.000 0.319 227 R C -1.471 174.640 176.300 -0.316 0.000 0.984 227 R CA -0.566 55.349 56.100 -0.308 0.000 0.861 227 R CB 1.001 31.152 30.300 -0.249 0.000 1.104 227 R HN 0.599 nan 8.270 nan 0.000 0.451 228 V N 6.460 126.333 119.914 -0.069 0.000 2.715 228 V HA 0.075 4.195 4.120 -0.000 0.000 0.299 228 V C 0.924 177.007 176.094 -0.019 0.000 1.054 228 V CA -0.351 61.961 62.300 0.021 0.000 1.077 228 V CB 0.906 32.736 31.823 0.012 0.000 0.972 228 V HN 0.691 nan 8.190 nan 0.000 0.484 229 L N 5.143 126.374 121.223 0.013 0.000 2.474 229 L HA 0.521 4.861 4.340 -0.000 0.000 0.259 229 L C -2.360 174.508 176.870 -0.004 0.000 1.232 229 L CA -1.481 53.357 54.840 -0.005 0.000 0.821 229 L CB -0.130 41.935 42.059 0.010 0.000 1.108 229 L HN 0.349 nan 8.230 nan 0.000 0.495 230 P HA 0.050 nan 4.420 nan 0.000 0.272 230 P C -1.242 176.063 177.300 0.010 0.000 1.223 230 P CA -0.117 62.988 63.100 0.009 0.000 0.784 230 P CB 0.389 32.098 31.700 0.016 0.000 0.923 231 D N 2.078 122.490 120.400 0.021 0.000 2.352 231 D HA 0.009 4.649 4.640 -0.000 0.000 0.245 231 D C 1.354 177.671 176.300 0.027 0.000 1.224 231 D CA -0.125 53.883 54.000 0.014 0.000 0.879 231 D CB 0.555 41.364 40.800 0.015 0.000 1.057 231 D HN 0.332 nan 8.370 nan 0.000 0.491 232 R N 3.791 124.293 120.500 0.004 0.000 2.120 232 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 232 R C 1.408 177.718 176.300 0.017 0.000 1.123 232 R CA 0.597 56.702 56.100 0.008 0.000 0.975 232 R CB -0.152 30.135 30.300 -0.022 0.000 0.866 232 R HN 0.344 nan 8.270 nan 0.000 0.446 233 I N 1.812 122.382 120.570 0.001 0.000 2.286 233 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 233 I C 2.531 178.696 176.117 0.079 0.000 1.104 233 I CA 1.255 62.561 61.300 0.011 0.000 1.397 233 I CB -1.250 36.729 38.000 -0.036 0.000 1.072 233 I HN 0.347 nan 8.210 nan 0.000 0.417 234 E N 0.891 121.150 120.200 0.099 0.000 2.077 234 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 234 E C 2.051 178.806 176.600 0.259 0.000 0.989 234 E CA 1.993 58.532 56.400 0.231 0.000 0.800 234 E CB 0.164 30.032 29.700 0.280 0.000 0.746 234 E HN 0.408 nan 8.360 nan 0.000 0.452 235 T N -0.219 114.457 114.554 0.204 0.000 2.684 235 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 235 T C 1.743 176.546 174.700 0.171 0.000 1.036 235 T CA 1.327 63.549 62.100 0.202 0.000 1.148 235 T CB -0.694 68.247 68.868 0.122 0.000 0.863 235 T HN 0.406 nan 8.240 nan 0.000 0.436 236 G N 0.963 109.831 108.800 0.112 0.000 2.422 236 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 236 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 236 G C 1.713 176.651 174.900 0.063 0.000 1.146 236 G CA 1.434 46.595 45.100 0.101 0.000 0.769 236 G HN 0.469 nan 8.290 nan 0.000 0.547 237 T N 1.005 115.563 114.554 0.007 0.000 2.746 237 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 237 T C 2.024 176.586 174.700 -0.229 0.000 1.039 237 T CA 1.029 63.036 62.100 -0.156 0.000 1.142 237 T CB -0.290 68.416 68.868 -0.270 0.000 0.866 237 T HN 0.224 nan 8.240 nan 0.000 0.444 238 F N 0.980 120.940 119.950 0.016 0.000 2.206 238 F HA 0.202 4.729 4.527 -0.000 0.000 0.298 238 F C 2.094 177.886 175.800 -0.013 0.000 1.090 238 F CA 0.279 58.275 58.000 -0.007 0.000 1.323 238 F CB -0.775 38.230 39.000 0.009 0.000 1.028 238 F HN 0.056 nan 8.300 nan 0.000 0.492 239 L N -0.775 120.549 121.223 0.168 0.000 2.042 239 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 239 L C 2.350 179.227 176.870 0.012 0.000 1.076 239 L CA 0.842 55.736 54.840 0.091 0.000 0.749 239 L CB -0.871 41.246 42.059 0.096 0.000 0.893 239 L HN -0.020 nan 8.230 nan 0.000 0.432 240 V N -0.162 119.724 119.914 -0.046 0.000 2.427 240 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 240 V C 2.736 178.763 176.094 -0.112 0.000 1.051 240 V CA 1.568 63.774 62.300 -0.156 0.000 1.048 240 V CB -0.676 30.996 31.823 -0.252 0.000 0.666 240 V HN 0.474 nan 8.190 nan 0.000 0.456 241 A N 0.122 122.901 122.820 -0.068 0.000 1.917 241 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 241 A C 2.404 179.979 177.584 -0.016 0.000 1.182 241 A CA 2.398 54.411 52.037 -0.040 0.000 0.633 241 A CB -0.735 18.276 19.000 0.018 0.000 0.819 241 A HN 0.581 nan 8.150 nan 0.000 0.448 242 A N -0.419 122.405 122.820 0.007 0.000 1.872 242 A HA 0.259 4.579 4.320 -0.000 0.000 0.214 242 A C 2.502 180.070 177.584 -0.028 0.000 1.187 242 A CA 1.843 53.879 52.037 -0.002 0.000 0.614 242 A CB -1.040 17.966 19.000 0.011 0.000 0.826 242 A HN 1.121 nan 8.150 nan 0.000 0.442 243 A N 0.454 123.248 122.820 -0.043 0.000 2.019 243 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 243 A C 2.045 179.594 177.584 -0.059 0.000 1.164 243 A CA 1.542 53.546 52.037 -0.055 0.000 0.644 243 A CB -0.785 18.169 19.000 -0.077 0.000 0.805 243 A HN 0.976 nan 8.150 nan 0.000 0.449 244 I N -2.963 117.567 120.570 -0.067 0.000 3.427 244 I HA 0.055 4.224 4.170 -0.000 0.000 0.288 244 I C 1.651 177.745 176.117 -0.040 0.000 1.249 244 I CA 1.209 62.474 61.300 -0.060 0.000 1.421 244 I CB 0.018 37.974 38.000 -0.074 0.000 1.086 244 I HN 0.216 nan 8.210 nan 0.000 0.448 245 S N 0.779 116.458 115.700 -0.035 0.000 2.597 245 S HA 0.281 4.750 4.470 -0.000 0.000 0.224 245 S C 0.897 175.485 174.600 -0.020 0.000 0.955 245 S CA -0.536 57.649 58.200 -0.025 0.000 0.933 245 S CB -0.331 62.855 63.200 -0.023 0.000 0.788 245 S HN 0.564 nan 8.310 nan 0.000 0.488 246 R N 0.146 120.634 120.500 -0.021 0.000 3.641 246 R HA -0.134 4.205 4.340 -0.000 0.000 0.286 246 R C 0.726 177.014 176.300 -0.020 0.000 1.153 246 R CA 0.414 56.505 56.100 -0.015 0.000 0.775 246 R CB -2.405 27.892 30.300 -0.005 0.000 1.215 246 R HN 0.631 nan 8.270 nan 0.000 0.474 247 G N 0.004 108.789 108.800 -0.026 0.000 2.782 247 G HA2 0.661 4.621 3.960 -0.000 0.000 0.201 247 G HA3 0.661 4.621 3.960 -0.000 0.000 0.201 247 G C -0.591 174.283 174.900 -0.043 0.000 1.374 247 G CA -0.430 44.654 45.100 -0.028 0.000 1.039 247 G HN -0.032 nan 8.290 nan 0.000 0.576 248 K N -0.628 119.750 120.400 -0.037 0.000 2.557 248 K HA 0.534 4.853 4.320 -0.000 0.000 0.257 248 K C -1.689 174.896 176.600 -0.025 0.000 0.933 248 K CA -0.306 55.955 56.287 -0.044 0.000 0.820 248 K CB 2.145 34.609 32.500 -0.060 0.000 1.330 248 K HN 0.488 nan 8.250 nan 0.000 0.432 249 I N 3.018 123.581 120.570 -0.011 0.000 2.827 249 I HA 0.467 4.637 4.170 -0.000 0.000 0.298 249 I C -1.304 174.825 176.117 0.021 0.000 1.235 249 I CA -0.986 60.315 61.300 0.000 0.000 1.021 249 I CB 1.619 39.632 38.000 0.021 0.000 1.259 249 I HN 0.436 nan 8.210 nan 0.000 0.427 250 I N 5.583 126.155 120.570 0.004 0.000 2.406 250 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 250 I C -0.622 175.518 176.117 0.038 0.000 0.999 250 I CA -0.551 60.770 61.300 0.036 0.000 1.124 250 I CB 1.292 39.271 38.000 -0.035 0.000 1.289 250 I HN 0.473 nan 8.210 nan 0.000 0.441 251 C N 6.394 125.757 119.300 0.105 0.000 2.273 251 C HA 0.522 4.982 4.460 -0.000 0.000 0.328 251 C C 0.660 175.723 174.990 0.123 0.000 1.275 251 C CA -0.726 58.341 59.018 0.082 0.000 1.704 251 C CB 0.452 28.256 27.740 0.106 0.000 2.326 251 C HN 0.606 nan 8.230 nan 0.000 0.517 252 R N 2.692 123.230 120.500 0.064 0.000 2.598 252 R HA 0.328 4.668 4.340 -0.000 0.000 0.279 252 R C 0.075 176.414 176.300 0.064 0.000 0.984 252 R CA -0.442 55.706 56.100 0.080 0.000 0.999 252 R CB 0.495 30.810 30.300 0.025 0.000 1.114 252 R HN 0.794 nan 8.270 nan 0.000 0.493 253 N N -0.968 117.777 118.700 0.076 0.000 2.756 253 N HA -0.180 4.560 4.740 -0.000 0.000 0.248 253 N C -1.128 174.411 175.510 0.047 0.000 1.062 253 N CA 1.094 54.174 53.050 0.050 0.000 0.696 253 N CB -0.986 37.517 38.487 0.027 0.000 0.946 253 N HN 0.752 nan 8.380 nan 0.000 0.548 254 A N -0.083 122.773 122.820 0.060 0.000 2.288 254 A HA 0.745 5.065 4.320 -0.000 0.000 0.328 254 A C 0.189 177.779 177.584 0.010 0.000 1.123 254 A CA -0.456 51.606 52.037 0.042 0.000 0.861 254 A CB 1.294 20.328 19.000 0.056 0.000 1.272 254 A HN 0.223 nan 8.150 nan 0.000 0.490 255 Q N 0.598 120.398 119.800 -0.000 0.000 2.771 255 Q HA 0.333 4.673 4.340 -0.000 0.000 0.247 255 Q C -2.325 173.661 176.000 -0.023 0.000 0.986 255 Q CA -1.729 54.063 55.803 -0.018 0.000 0.713 255 Q CB 1.288 30.020 28.738 -0.011 0.000 1.241 255 Q HN 0.415 nan 8.270 nan 0.000 0.488 256 P HA -0.187 nan 4.420 nan 0.000 0.216 256 P C 0.530 177.812 177.300 -0.029 0.000 1.150 256 P CA 1.461 64.528 63.100 -0.055 0.000 0.843 256 P CB 0.173 31.801 31.700 -0.119 0.000 0.787 257 D N -2.213 118.173 120.400 -0.024 0.000 2.403 257 D HA -0.097 4.543 4.640 -0.000 0.000 0.227 257 D C 1.229 177.552 176.300 0.038 0.000 0.995 257 D CA 1.111 55.111 54.000 -0.001 0.000 0.928 257 D CB -1.408 39.391 40.800 -0.001 0.000 0.887 257 D HN 0.069 nan 8.370 nan 0.000 0.529 258 T N -0.533 114.041 114.554 0.034 0.000 3.065 258 T HA 0.240 4.590 4.350 -0.000 0.000 0.252 258 T C 1.104 175.856 174.700 0.087 0.000 1.099 258 T CA 0.035 62.169 62.100 0.056 0.000 1.063 258 T CB 0.104 68.973 68.868 0.002 0.000 0.948 258 T HN 0.156 nan 8.240 nan 0.000 0.506 259 L N 0.432 121.684 121.223 0.049 0.000 3.289 259 L HA 0.278 4.618 4.340 -0.000 0.000 0.291 259 L C 0.937 177.816 176.870 0.015 0.000 1.279 259 L CA -0.201 54.655 54.840 0.027 0.000 1.025 259 L CB 0.565 42.636 42.059 0.019 0.000 1.413 259 L HN -0.033 nan 8.230 nan 0.000 0.593 260 D N 1.603 122.011 120.400 0.014 0.000 2.127 260 D HA -0.247 4.393 4.640 -0.000 0.000 0.190 260 D C 2.166 178.466 176.300 -0.001 0.000 1.000 260 D CA 1.895 55.894 54.000 -0.003 0.000 0.839 260 D CB 0.128 40.916 40.800 -0.020 0.000 0.955 260 D HN 0.378 nan 8.370 nan 0.000 0.446 261 A N 0.631 123.441 122.820 -0.017 0.000 1.883 261 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 261 A C 2.620 180.228 177.584 0.040 0.000 1.186 261 A CA 1.769 53.811 52.037 0.009 0.000 0.624 261 A CB -0.887 18.116 19.000 0.005 0.000 0.822 261 A HN 0.173 nan 8.150 nan 0.000 0.444 262 V N 0.088 119.984 119.914 -0.030 0.000 2.343 262 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 262 V C 2.564 178.746 176.094 0.147 0.000 1.051 262 V CA 1.946 64.250 62.300 0.007 0.000 1.036 262 V CB -0.711 31.085 31.823 -0.045 0.000 0.654 262 V HN 0.571 nan 8.190 nan 0.000 0.451 263 L N -0.036 121.242 121.223 0.093 0.000 2.093 263 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 263 L C 2.731 179.661 176.870 0.100 0.000 1.085 263 L CA 1.475 56.375 54.840 0.099 0.000 0.755 263 L CB -0.836 41.255 42.059 0.052 0.000 0.904 263 L HN 0.364 nan 8.230 nan 0.000 0.435 264 A N -0.024 122.840 122.820 0.074 0.000 1.902 264 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 264 A C 2.293 179.925 177.584 0.081 0.000 1.181 264 A CA 1.729 53.801 52.037 0.060 0.000 0.623 264 A CB -0.324 18.696 19.000 0.034 0.000 0.818 264 A HN 0.159 nan 8.150 nan 0.000 0.443 265 K N -0.197 120.268 120.400 0.108 0.000 2.057 265 K HA 0.071 4.391 4.320 -0.000 0.000 0.206 265 K C 1.764 178.514 176.600 0.250 0.000 1.050 265 K CA 1.023 57.387 56.287 0.127 0.000 0.935 265 K CB -0.513 32.006 32.500 0.032 0.000 0.715 265 K HN 0.496 nan 8.250 nan 0.000 0.439 266 L N 0.123 121.535 121.223 0.315 0.000 2.046 266 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 266 L C 2.337 179.290 176.870 0.139 0.000 1.077 266 L CA 1.395 56.386 54.840 0.251 0.000 0.747 266 L CB -0.298 41.888 42.059 0.212 0.000 0.896 266 L HN 0.152 nan 8.230 nan 0.000 0.432 267 R N -0.076 120.491 120.500 0.112 0.000 2.091 267 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 267 R C 1.839 178.180 176.300 0.069 0.000 1.136 267 R CA 1.627 57.774 56.100 0.078 0.000 0.959 267 R CB -0.508 29.830 30.300 0.063 0.000 0.856 267 R HN 0.363 nan 8.270 nan 0.000 0.437 268 D N 0.503 120.945 120.400 0.069 0.000 2.218 268 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 268 D C 1.444 177.777 176.300 0.055 0.000 0.976 268 D CA 1.283 55.313 54.000 0.049 0.000 0.853 268 D CB -0.079 40.740 40.800 0.032 0.000 0.939 268 D HN 0.288 nan 8.370 nan 0.000 0.481 269 A N -0.564 122.304 122.820 0.080 0.000 2.218 269 A HA 0.439 4.759 4.320 -0.000 0.000 0.209 269 A C 1.718 179.332 177.584 0.049 0.000 1.168 269 A CA 1.007 53.084 52.037 0.066 0.000 0.804 269 A CB 0.054 19.104 19.000 0.084 0.000 0.834 269 A HN 0.249 nan 8.150 nan 0.000 0.482 270 G N -2.351 106.481 108.800 0.055 0.000 2.154 270 G HA2 0.200 4.160 3.960 -0.000 0.000 0.186 270 G HA3 0.200 4.160 3.960 -0.000 0.000 0.186 270 G C 0.285 175.221 174.900 0.060 0.000 1.000 270 G CA 0.072 45.205 45.100 0.054 0.000 0.664 270 G HN 1.410 nan 8.290 nan 0.000 0.513 271 A N -0.074 122.779 122.820 0.056 0.000 2.302 271 A HA 0.629 4.949 4.320 -0.000 0.000 0.285 271 A C -0.040 177.580 177.584 0.059 0.000 1.105 271 A CA 0.324 52.387 52.037 0.043 0.000 0.816 271 A CB 0.810 19.831 19.000 0.035 0.000 1.067 271 A HN 0.446 nan 8.150 nan 0.000 0.489 272 D N 1.400 121.826 120.400 0.043 0.000 2.412 272 D HA 0.498 5.138 4.640 -0.000 0.000 0.224 272 D C -0.830 175.506 176.300 0.061 0.000 1.093 272 D CA 0.070 54.119 54.000 0.082 0.000 0.850 272 D CB 0.112 41.011 40.800 0.166 0.000 1.046 272 D HN 0.339 nan 8.370 nan 0.000 0.507 273 I N 3.025 123.639 120.570 0.073 0.000 2.465 273 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 273 I C 0.203 176.366 176.117 0.077 0.000 1.014 273 I CA -0.733 60.611 61.300 0.073 0.000 1.093 273 I CB 1.827 39.863 38.000 0.060 0.000 1.267 273 I HN 0.215 nan 8.210 nan 0.000 0.431 274 E N 5.165 125.431 120.200 0.111 0.000 2.288 274 E HA 0.621 4.971 4.350 -0.000 0.000 0.268 274 E C -1.299 175.246 176.600 -0.092 0.000 0.885 274 E CA -0.860 55.591 56.400 0.085 0.000 0.767 274 E CB 3.415 33.260 29.700 0.242 0.000 1.220 274 E HN 0.404 nan 8.360 nan 0.000 0.427 275 V N -1.068 118.630 119.914 -0.359 0.000 2.735 275 V HA 0.871 4.991 4.120 -0.000 0.000 0.310 275 V C 0.117 175.461 176.094 -1.249 0.000 1.061 275 V CA -0.473 61.378 62.300 -0.748 0.000 0.913 275 V CB 1.408 33.000 31.823 -0.386 0.000 1.005 275 V HN 0.742 nan 8.190 nan 0.000 0.428 276 G N 1.715 109.203 108.800 -2.188 0.000 2.736 276 G HA2 0.412 4.372 3.960 -0.000 0.000 0.229 276 G HA3 0.412 4.372 3.960 -0.000 0.000 0.229 276 G C 0.196 174.682 174.900 -0.691 0.000 1.380 276 G CA 0.204 44.369 45.100 -1.558 0.000 1.040 276 G HN 0.865 nan 8.290 nan 0.000 0.568 277 E N -0.698 119.310 120.200 -0.321 0.000 2.318 277 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 277 E C 0.238 176.772 176.600 -0.109 0.000 0.998 277 E CA 0.999 57.309 56.400 -0.150 0.000 0.859 277 E CB 0.302 29.980 29.700 -0.037 0.000 0.812 277 E HN 0.520 nan 8.360 nan 0.000 0.492 278 D N -0.670 119.687 120.400 -0.071 0.000 2.740 278 D HA 0.000 4.640 4.640 -0.000 0.000 0.305 278 D C -0.318 176.068 176.300 0.143 0.000 1.583 278 D CA -0.465 53.553 54.000 0.030 0.000 0.790 278 D CB -0.877 39.968 40.800 0.075 0.000 1.187 278 D HN 0.165 nan 8.370 nan 0.000 0.447 279 W N 0.234 121.536 121.300 0.003 0.000 3.083 279 W HA 0.715 5.375 4.660 -0.000 0.000 0.333 279 W C -1.922 174.603 176.519 0.010 0.000 1.217 279 W CA -1.334 56.013 57.345 0.003 0.000 1.170 279 W CB 0.615 30.074 29.460 -0.003 0.000 1.437 279 W HN -0.309 nan 8.180 nan 0.000 0.557 280 I N 2.937 123.692 120.570 0.309 0.000 2.582 280 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 280 I C -0.056 176.286 176.117 0.375 0.000 1.066 280 I CA -0.739 60.681 61.300 0.200 0.000 1.053 280 I CB 2.558 40.606 38.000 0.080 0.000 1.241 280 I HN 0.461 nan 8.210 nan 0.000 0.421 281 S N 6.691 122.627 115.700 0.394 0.000 2.532 281 S HA 0.856 5.326 4.470 -0.000 0.000 0.301 281 S C -0.991 173.700 174.600 0.152 0.000 1.083 281 S CA -0.733 57.633 58.200 0.277 0.000 1.025 281 S CB 2.382 65.771 63.200 0.315 0.000 1.056 281 S HN 0.630 nan 8.310 nan 0.000 0.494 282 L N 1.915 123.187 121.223 0.082 0.000 2.436 282 L HA 0.669 5.009 4.340 -0.000 0.000 0.268 282 L C -1.966 174.882 176.870 -0.037 0.000 0.974 282 L CA -0.284 54.575 54.840 0.032 0.000 0.826 282 L CB 1.970 44.051 42.059 0.036 0.000 1.291 282 L HN 0.812 nan 8.230 nan 0.000 0.406 283 D N 4.630 124.962 120.400 -0.112 0.000 2.629 283 D HA 0.330 4.970 4.640 -0.000 0.000 0.250 283 D C 0.263 176.345 176.300 -0.363 0.000 1.126 283 D CA -0.423 53.398 54.000 -0.298 0.000 0.852 283 D CB 1.933 42.436 40.800 -0.495 0.000 1.335 283 D HN 0.486 nan 8.370 nan 0.000 0.518 284 M N 1.435 120.881 119.600 -0.256 0.000 2.509 284 M HA 0.025 4.505 4.480 -0.000 0.000 0.250 284 M C 0.147 176.418 176.300 -0.048 0.000 1.132 284 M CA 0.244 55.471 55.300 -0.121 0.000 1.080 284 M CB -0.640 31.931 32.600 -0.049 0.000 1.408 284 M HN 0.472 nan 8.290 nan 0.000 0.484 285 H N 0.391 119.470 119.070 0.015 0.000 2.692 285 H HA -0.163 4.393 4.556 -0.000 0.000 0.316 285 H C 1.372 176.705 175.328 0.009 0.000 1.176 285 H CA 0.956 57.012 56.048 0.012 0.000 1.142 285 H CB -2.222 27.548 29.762 0.014 0.000 1.475 285 H HN 0.656 nan 8.280 nan 0.000 0.423 286 G N -0.831 108.012 108.800 0.071 0.000 2.189 286 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.267 286 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.267 286 G C 0.458 175.383 174.900 0.041 0.000 0.975 286 G CA 0.775 45.903 45.100 0.047 0.000 0.644 286 G HN 0.396 nan 8.290 nan 0.000 0.537 287 K N 0.368 120.799 120.400 0.052 0.000 2.185 287 K HA 0.382 4.702 4.320 -0.000 0.000 0.271 287 K C 0.746 177.360 176.600 0.023 0.000 1.013 287 K CA -0.721 55.592 56.287 0.043 0.000 0.943 287 K CB 1.079 33.615 32.500 0.060 0.000 0.998 287 K HN 0.476 nan 8.250 nan 0.000 0.468 288 R N 3.123 123.635 120.500 0.020 0.000 2.441 288 R HA 0.187 4.527 4.340 -0.000 0.000 0.284 288 R C -2.043 174.266 176.300 0.014 0.000 1.070 288 R CA -1.224 54.883 56.100 0.012 0.000 1.047 288 R CB 0.461 30.769 30.300 0.013 0.000 1.016 288 R HN 0.333 nan 8.270 nan 0.000 0.477 289 P HA 0.075 nan 4.420 nan 0.000 0.272 289 P C -1.220 176.089 177.300 0.016 0.000 1.223 289 P CA -0.040 63.065 63.100 0.008 0.000 0.784 289 P CB 0.750 32.443 31.700 -0.012 0.000 0.923 290 K N 0.922 121.336 120.400 0.023 0.000 2.130 290 K HA 0.506 4.826 4.320 -0.000 0.000 0.268 290 K C 0.204 176.817 176.600 0.022 0.000 0.983 290 K CA -0.671 55.630 56.287 0.024 0.000 0.893 290 K CB 1.761 34.276 32.500 0.025 0.000 1.066 290 K HN 0.537 nan 8.250 nan 0.000 0.450 291 A N 2.007 124.837 122.820 0.017 0.000 2.531 291 A HA 0.272 4.591 4.320 -0.000 0.000 0.236 291 A C 0.347 177.924 177.584 -0.010 0.000 1.062 291 A CA -0.269 51.772 52.037 0.007 0.000 0.760 291 A CB -0.026 18.977 19.000 0.004 0.000 0.995 291 A HN 0.535 nan 8.150 nan 0.000 0.501 292 V N 0.265 120.164 119.914 -0.025 0.000 3.126 292 V HA 0.652 4.772 4.120 -0.000 0.000 0.314 292 V C -0.450 175.519 176.094 -0.209 0.000 1.138 292 V CA -1.259 60.996 62.300 -0.077 0.000 1.034 292 V CB 1.882 33.699 31.823 -0.010 0.000 1.075 292 V HN 0.882 nan 8.190 nan 0.000 0.442 293 N N 0.061 118.564 118.700 -0.329 0.000 2.372 293 N HA 0.776 5.515 4.740 -0.000 0.000 0.291 293 N C -1.425 173.784 175.510 -0.502 0.000 1.024 293 N CA -0.568 52.115 53.050 -0.612 0.000 0.873 293 N CB 2.289 40.239 38.487 -0.895 0.000 1.206 293 N HN 0.613 nan 8.380 nan 0.000 0.486 294 V N 1.665 121.273 119.914 -0.509 0.000 2.789 294 V HA 0.491 4.610 4.120 -0.000 0.000 0.311 294 V C -0.476 175.435 176.094 -0.304 0.000 1.073 294 V CA -0.772 61.222 62.300 -0.509 0.000 0.921 294 V CB 2.131 33.447 31.823 -0.844 0.000 1.009 294 V HN 0.649 nan 8.190 nan 0.000 0.426 295 R N 2.295 122.653 120.500 -0.237 0.000 2.451 295 R HA 0.536 4.876 4.340 -0.000 0.000 0.307 295 R C -0.136 176.151 176.300 -0.022 0.000 0.965 295 R CA -0.267 55.792 56.100 -0.067 0.000 0.865 295 R CB 1.712 32.011 30.300 -0.000 0.000 1.174 295 R HN 0.933 nan 8.270 nan 0.000 0.455 296 T N 1.269 115.849 114.554 0.044 0.000 2.918 296 T HA 0.673 5.023 4.350 -0.000 0.000 0.302 296 T C 0.087 174.833 174.700 0.077 0.000 1.045 296 T CA -0.090 62.095 62.100 0.142 0.000 1.114 296 T CB 1.529 70.490 68.868 0.154 0.000 0.965 296 T HN 0.720 nan 8.240 nan 0.000 0.540 297 A N 3.019 125.883 122.820 0.072 0.000 2.515 297 A HA 0.735 5.055 4.320 -0.000 0.000 0.292 297 A C -3.150 174.443 177.584 0.016 0.000 1.065 297 A CA -1.651 50.398 52.037 0.019 0.000 0.641 297 A CB 0.176 19.185 19.000 0.015 0.000 1.306 297 A HN 0.658 nan 8.150 nan 0.000 0.441 298 P HA 0.270 nan 4.420 nan 0.000 0.269 298 P C -0.330 176.999 177.300 0.048 0.000 1.215 298 P CA 0.342 63.454 63.100 0.019 0.000 0.780 298 P CB 0.121 31.824 31.700 0.005 0.000 0.898 299 H N 3.975 123.034 119.070 -0.018 0.000 3.092 299 H HA -0.020 4.536 4.556 -0.000 0.000 0.332 299 H C -1.305 174.016 175.328 -0.011 0.000 1.029 299 H CA -0.337 55.700 56.048 -0.018 0.000 1.376 299 H CB 0.202 29.954 29.762 -0.017 0.000 1.329 299 H HN 0.311 nan 8.280 nan 0.000 0.598 300 P HA 0.190 nan 4.420 nan 0.000 0.254 300 P C -0.449 176.620 177.300 -0.384 0.000 1.494 300 P CA 0.028 62.479 63.100 -1.083 0.000 0.961 300 P CB -0.012 31.176 31.700 -0.854 0.000 1.493 301 A N 0.484 123.204 122.820 -0.166 0.000 2.325 301 A HA 0.225 4.544 4.320 -0.000 0.000 0.260 301 A C -0.187 177.409 177.584 0.020 0.000 1.133 301 A CA -0.395 51.618 52.037 -0.040 0.000 0.801 301 A CB -0.520 18.481 19.000 0.002 0.000 1.092 301 A HN 0.187 nan 8.150 nan 0.000 0.504 302 F N 1.097 120.998 119.950 -0.081 0.000 2.543 302 F HA 0.383 4.910 4.527 -0.000 0.000 0.375 302 F C -1.974 173.797 175.800 -0.048 0.000 1.075 302 F CA -1.950 55.994 58.000 -0.094 0.000 1.225 302 F CB 0.588 39.492 39.000 -0.161 0.000 1.099 302 F HN 0.188 nan 8.300 nan 0.000 0.561 303 P HA 0.067 nan 4.420 nan 0.000 0.280 303 P C 0.484 177.801 177.300 0.029 0.000 1.244 303 P CA -0.188 62.845 63.100 -0.112 0.000 0.784 303 P CB 1.354 32.940 31.700 -0.190 0.000 0.913 304 T N 0.987 115.605 114.554 0.106 0.000 2.737 304 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 304 T C 0.986 175.764 174.700 0.131 0.000 1.040 304 T CA 1.768 63.964 62.100 0.158 0.000 1.142 304 T CB -0.790 68.184 68.868 0.177 0.000 0.861 304 T HN 0.307 nan 8.240 nan 0.000 0.456 305 D N 0.264 120.711 120.400 0.078 0.000 2.384 305 D HA 0.003 4.643 4.640 -0.000 0.000 0.222 305 D C 1.433 177.755 176.300 0.038 0.000 0.976 305 D CA 0.618 54.645 54.000 0.045 0.000 0.915 305 D CB -0.004 40.807 40.800 0.018 0.000 0.896 305 D HN 0.409 nan 8.370 nan 0.000 0.523 306 M N -0.339 119.283 119.600 0.035 0.000 2.313 306 M HA 0.046 4.526 4.480 -0.000 0.000 0.273 306 M C 1.675 178.203 176.300 0.380 0.000 1.049 306 M CA 0.115 55.481 55.300 0.110 0.000 1.004 306 M CB 0.305 32.807 32.600 -0.162 0.000 1.461 306 M HN -0.006 nan 8.290 nan 0.000 0.514 307 Q N 1.040 121.054 119.800 0.356 0.000 2.061 307 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 307 Q C 1.691 177.822 176.000 0.218 0.000 0.984 307 Q CA 2.216 58.236 55.803 0.361 0.000 0.846 307 Q CB 0.088 28.969 28.738 0.238 0.000 0.902 307 Q HN 0.458 nan 8.270 nan 0.000 0.421 308 A N 0.398 123.193 122.820 -0.041 0.000 1.930 308 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 308 A C 1.985 179.539 177.584 -0.050 0.000 1.175 308 A CA 1.502 53.319 52.037 -0.366 0.000 0.627 308 A CB -0.425 18.032 19.000 -0.905 0.000 0.815 308 A HN 0.456 nan 8.150 nan 0.000 0.443 309 Q N -1.090 118.733 119.800 0.037 0.000 2.084 309 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 309 Q C 1.588 177.619 176.000 0.051 0.000 0.978 309 Q CA 1.749 57.571 55.803 0.032 0.000 0.844 309 Q CB -0.461 28.299 28.738 0.037 0.000 0.898 309 Q HN 0.700 nan 8.270 nan 0.000 0.426 310 F N -0.152 119.870 119.950 0.119 0.000 2.456 310 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 310 F C 2.114 177.956 175.800 0.070 0.000 1.104 310 F CA 1.051 59.118 58.000 0.112 0.000 1.435 310 F CB -0.200 38.897 39.000 0.161 0.000 1.078 310 F HN 0.018 nan 8.300 nan 0.000 0.546 311 T N 0.567 115.273 114.554 0.254 0.000 2.746 311 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 311 T C 2.017 176.796 174.700 0.131 0.000 1.039 311 T CA 1.359 63.588 62.100 0.215 0.000 1.142 311 T CB -0.545 68.532 68.868 0.348 0.000 0.866 311 T HN 0.149 nan 8.240 nan 0.000 0.444 312 L N 1.296 122.575 121.223 0.094 0.000 2.017 312 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 312 L C 2.241 179.106 176.870 -0.007 0.000 1.073 312 L CA 1.499 56.360 54.840 0.035 0.000 0.745 312 L CB -0.948 41.111 42.059 -0.000 0.000 0.894 312 L HN 0.260 nan 8.230 nan 0.000 0.432 313 L N -0.200 120.991 121.223 -0.054 0.000 1.997 313 L HA -0.318 4.022 4.340 -0.000 0.000 0.216 313 L C 2.283 179.140 176.870 -0.023 0.000 1.074 313 L CA 2.112 56.899 54.840 -0.089 0.000 0.763 313 L CB -0.660 41.267 42.059 -0.220 0.000 0.890 313 L HN 0.401 nan 8.230 nan 0.000 0.434 314 N N -0.165 118.547 118.700 0.019 0.000 2.205 314 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 314 N C 1.783 177.307 175.510 0.023 0.000 1.015 314 N CA 1.434 54.500 53.050 0.027 0.000 0.862 314 N CB -0.382 38.127 38.487 0.038 0.000 0.986 314 N HN 0.405 nan 8.380 nan 0.000 0.429 315 L N 0.123 121.361 121.223 0.025 0.000 2.376 315 L HA -0.019 4.321 4.340 -0.000 0.000 0.219 315 L C 1.359 178.234 176.870 0.009 0.000 1.133 315 L CA 0.486 55.340 54.840 0.023 0.000 0.816 315 L CB 0.047 42.120 42.059 0.024 0.000 0.933 315 L HN 0.064 nan 8.230 nan 0.000 0.449 316 V N -4.626 115.289 119.914 0.001 0.000 3.176 316 V HA 0.543 4.663 4.120 -0.000 0.000 0.332 316 V C 0.656 176.752 176.094 0.003 0.000 1.414 316 V CA -0.268 62.029 62.300 -0.004 0.000 1.133 316 V CB -0.347 31.465 31.823 -0.017 0.000 1.088 316 V HN 0.098 nan 8.190 nan 0.000 0.473 317 A N 0.157 122.984 122.820 0.013 0.000 2.248 317 A HA 0.704 5.023 4.320 -0.000 0.000 0.316 317 A C -0.040 177.561 177.584 0.029 0.000 1.101 317 A CA -0.668 51.378 52.037 0.015 0.000 0.875 317 A CB 0.822 19.830 19.000 0.014 0.000 1.207 317 A HN 0.484 nan 8.150 nan 0.000 0.504 318 E N -0.358 119.858 120.200 0.028 0.000 2.152 318 E HA 0.459 4.809 4.350 -0.000 0.000 0.285 318 E C 0.509 177.132 176.600 0.039 0.000 1.043 318 E CA 0.961 57.382 56.400 0.035 0.000 0.839 318 E CB 0.345 30.062 29.700 0.029 0.000 1.069 318 E HN 1.351 nan 8.360 nan 0.000 0.399 319 G N 2.745 111.578 108.800 0.054 0.000 2.500 319 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.209 319 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.209 319 G C -0.573 174.371 174.900 0.074 0.000 1.283 319 G CA -0.541 44.597 45.100 0.063 0.000 0.960 319 G HN 0.499 nan 8.290 nan 0.000 0.528 320 T N 0.621 115.216 114.554 0.068 0.000 2.797 320 T HA 0.733 5.082 4.350 -0.000 0.000 0.279 320 T C 0.457 175.159 174.700 0.005 0.000 0.991 320 T CA 0.484 62.605 62.100 0.037 0.000 0.979 320 T CB 1.534 70.459 68.868 0.095 0.000 0.943 320 T HN 1.731 nan 8.240 nan 0.000 0.444 321 G N 2.046 110.826 108.800 -0.033 0.000 2.612 321 G HA2 0.742 4.702 3.960 -0.000 0.000 0.298 321 G HA3 0.742 4.702 3.960 -0.000 0.000 0.298 321 G C -1.346 173.552 174.900 -0.003 0.000 1.336 321 G CA -0.926 44.141 45.100 -0.054 0.000 0.953 321 G HN 0.663 nan 8.290 nan 0.000 0.482 322 F N -0.204 119.706 119.950 -0.065 0.000 2.561 322 F HA 0.854 5.381 4.527 -0.000 0.000 0.321 322 F C -0.739 175.029 175.800 -0.052 0.000 1.065 322 F CA -1.668 56.291 58.000 -0.068 0.000 0.934 322 F CB 1.827 40.785 39.000 -0.070 0.000 1.215 322 F HN 0.280 nan 8.300 nan 0.000 0.471 323 I N 2.481 123.174 120.570 0.205 0.000 2.447 323 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 323 I C -0.879 175.397 176.117 0.264 0.000 1.023 323 I CA -0.549 60.833 61.300 0.137 0.000 1.083 323 I CB 2.241 40.322 38.000 0.135 0.000 1.245 323 I HN 0.701 nan 8.210 nan 0.000 0.434 324 T N 4.375 119.071 114.554 0.238 0.000 2.794 324 T HA 0.286 4.636 4.350 -0.000 0.000 0.280 324 T C -0.355 174.465 174.700 0.201 0.000 0.987 324 T CA -0.436 61.808 62.100 0.241 0.000 0.993 324 T CB 1.648 70.645 68.868 0.214 0.000 0.939 324 T HN 0.483 nan 8.240 nan 0.000 0.449 325 E N 1.634 121.990 120.200 0.260 0.000 2.113 325 E HA 0.384 4.734 4.350 -0.000 0.000 0.273 325 E C 0.847 177.511 176.600 0.106 0.000 0.924 325 E CA -0.582 55.916 56.400 0.163 0.000 0.764 325 E CB 0.831 30.589 29.700 0.097 0.000 1.104 325 E HN 0.654 nan 8.360 nan 0.000 0.406 326 T N 0.541 115.126 114.554 0.051 0.000 3.010 326 T HA 0.139 4.489 4.350 -0.000 0.000 0.257 326 T C 0.999 175.667 174.700 -0.053 0.000 1.020 326 T CA 0.473 62.582 62.100 0.015 0.000 0.938 326 T CB 0.182 69.057 68.868 0.012 0.000 1.049 326 T HN 0.207 nan 8.240 nan 0.000 0.522 327 V N -0.300 119.550 119.914 -0.106 0.000 2.521 327 V HA 0.421 4.541 4.120 -0.000 0.000 0.239 327 V C 0.091 175.909 176.094 -0.461 0.000 1.053 327 V CA 0.366 62.473 62.300 -0.320 0.000 1.073 327 V CB -0.214 31.365 31.823 -0.406 0.000 0.746 327 V HN 0.424 nan 8.190 nan 0.000 0.476 328 F N 0.690 120.622 119.950 -0.029 0.000 2.443 328 F HA 0.446 4.973 4.527 -0.000 0.000 0.369 328 F C 1.103 176.857 175.800 -0.077 0.000 1.090 328 F CA -1.108 56.861 58.000 -0.052 0.000 1.129 328 F CB 0.720 39.675 39.000 -0.075 0.000 1.367 328 F HN 0.038 nan 8.300 nan 0.000 0.465 329 E N 0.684 120.965 120.200 0.134 0.000 2.409 329 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 329 E C 0.465 177.152 176.600 0.145 0.000 1.024 329 E CA 0.679 57.153 56.400 0.123 0.000 0.861 329 E CB 0.065 29.833 29.700 0.115 0.000 0.788 329 E HN 0.425 nan 8.360 nan 0.000 0.521 330 N N 0.758 119.510 118.700 0.088 0.000 2.328 330 N HA 0.034 4.774 4.740 -0.000 0.000 0.247 330 N C -0.254 175.241 175.510 -0.024 0.000 1.165 330 N CA 0.030 53.137 53.050 0.095 0.000 0.873 330 N CB 0.499 39.031 38.487 0.074 0.000 1.125 330 N HN -0.041 nan 8.380 nan 0.000 0.513 331 R N 0.675 121.013 120.500 -0.270 0.000 4.071 331 R HA 0.206 4.546 4.340 -0.000 0.000 0.220 331 R C -0.650 175.364 176.300 -0.475 0.000 1.614 331 R CA -0.015 55.903 56.100 -0.302 0.000 1.505 331 R CB -0.496 29.673 30.300 -0.219 0.000 1.384 331 R HN -0.054 nan 8.270 nan 0.000 0.758 332 F N 0.138 120.114 119.950 0.043 0.000 2.880 332 F HA 0.192 4.719 4.527 -0.000 0.000 0.328 332 F C 1.313 176.921 175.800 -0.320 0.000 1.146 332 F CA -0.360 57.522 58.000 -0.196 0.000 1.135 332 F CB 0.349 39.268 39.000 -0.136 0.000 1.151 332 F HN 0.203 nan 8.300 nan 0.000 0.523 333 M N -0.235 119.380 119.600 0.025 0.000 2.267 333 M HA -0.212 4.267 4.480 -0.000 0.000 0.263 333 M C 2.203 178.501 176.300 -0.003 0.000 1.063 333 M CA 1.889 57.195 55.300 0.009 0.000 1.090 333 M CB -0.764 31.847 32.600 0.018 0.000 1.392 333 M HN 0.444 nan 8.290 nan 0.000 0.422 334 H N -1.612 117.494 119.070 0.060 0.000 2.456 334 H HA -0.050 4.506 4.556 -0.000 0.000 0.296 334 H C 1.836 177.206 175.328 0.070 0.000 1.079 334 H CA 1.174 57.253 56.048 0.052 0.000 1.322 334 H CB -0.953 28.841 29.762 0.053 0.000 1.388 334 H HN 0.117 nan 8.280 nan 0.000 0.538 335 V N 1.682 121.416 119.914 -0.299 0.000 2.261 335 V HA -0.161 3.958 4.120 -0.000 0.000 0.246 335 V C -0.275 175.795 176.094 -0.039 0.000 1.047 335 V CA 2.061 64.281 62.300 -0.133 0.000 1.015 335 V CB -1.167 30.556 31.823 -0.167 0.000 0.642 335 V HN 0.449 nan 8.190 nan 0.000 0.446 336 P HA -0.121 nan 4.420 nan 0.000 0.218 336 P C 1.545 178.849 177.300 0.007 0.000 1.148 336 P CA 1.176 64.271 63.100 -0.008 0.000 0.822 336 P CB -0.037 31.659 31.700 -0.006 0.000 0.784 337 E N -0.226 119.984 120.200 0.016 0.000 2.051 337 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 337 E C 2.150 178.766 176.600 0.026 0.000 0.991 337 E CA 0.984 57.399 56.400 0.026 0.000 0.799 337 E CB -0.984 28.739 29.700 0.039 0.000 0.748 337 E HN 0.323 nan 8.360 nan 0.000 0.449 338 L N 0.963 122.208 121.223 0.036 0.000 2.191 338 L HA -0.126 4.213 4.340 -0.000 0.000 0.212 338 L C 2.428 179.303 176.870 0.008 0.000 1.103 338 L CA 0.701 55.558 54.840 0.029 0.000 0.769 338 L CB -0.285 41.805 42.059 0.052 0.000 0.908 338 L HN 0.016 nan 8.230 nan 0.000 0.438 339 S N -0.375 115.332 115.700 0.012 0.000 2.402 339 S HA -0.111 4.359 4.470 -0.000 0.000 0.229 339 S C 1.965 176.570 174.600 0.008 0.000 1.021 339 S CA 0.909 59.115 58.200 0.011 0.000 0.974 339 S CB -0.151 63.064 63.200 0.024 0.000 0.800 339 S HN 0.398 nan 8.310 nan 0.000 0.484 340 R N 0.647 121.153 120.500 0.010 0.000 2.193 340 R HA 0.080 4.419 4.340 -0.000 0.000 0.229 340 R C 1.447 177.748 176.300 0.001 0.000 1.110 340 R CA 0.959 57.065 56.100 0.009 0.000 0.988 340 R CB -0.283 30.024 30.300 0.012 0.000 0.871 340 R HN 0.444 nan 8.270 nan 0.000 0.458 341 M N -0.663 118.934 119.600 -0.006 0.000 2.453 341 M HA 0.185 4.665 4.480 -0.000 0.000 0.239 341 M C 0.636 176.912 176.300 -0.041 0.000 1.151 341 M CA 0.343 55.634 55.300 -0.016 0.000 0.989 341 M CB 1.276 33.870 32.600 -0.011 0.000 1.548 341 M HN 0.402 nan 8.290 nan 0.000 0.479 342 G N 0.661 109.429 108.800 -0.054 0.000 2.176 342 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.232 342 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.232 342 G C 0.193 174.937 174.900 -0.260 0.000 0.986 342 G CA -0.048 44.983 45.100 -0.116 0.000 0.643 342 G HN 0.657 nan 8.290 nan 0.000 0.522 343 A N 0.432 123.154 122.820 -0.164 0.000 2.386 343 A HA 0.608 4.928 4.320 -0.000 0.000 0.248 343 A C 0.097 177.593 177.584 -0.146 0.000 1.082 343 A CA -0.005 51.930 52.037 -0.171 0.000 0.789 343 A CB 0.204 19.177 19.000 -0.045 0.000 1.025 343 A HN 0.499 nan 8.150 nan 0.000 0.490 344 H N 0.365 119.472 119.070 0.062 0.000 2.685 344 H HA 0.644 5.200 4.556 -0.000 0.000 0.307 344 H C -0.136 175.266 175.328 0.124 0.000 1.017 344 H CA 0.217 56.321 56.048 0.093 0.000 1.237 344 H CB 0.972 30.805 29.762 0.118 0.000 1.409 344 H HN 0.871 nan 8.280 nan 0.000 0.488 345 A N 3.292 126.233 122.820 0.201 0.000 2.572 345 A HA 0.616 4.936 4.320 -0.000 0.000 0.295 345 A C -0.755 176.866 177.584 0.062 0.000 1.072 345 A CA -0.924 51.174 52.037 0.101 0.000 0.691 345 A CB 2.234 21.250 19.000 0.026 0.000 1.291 345 A HN 0.608 nan 8.150 nan 0.000 0.404 346 E N 1.327 121.537 120.200 0.016 0.000 2.312 346 E HA 0.642 4.991 4.350 -0.000 0.000 0.267 346 E C -1.427 175.105 176.600 -0.113 0.000 0.894 346 E CA -0.655 55.728 56.400 -0.027 0.000 0.773 346 E CB 1.975 31.680 29.700 0.008 0.000 1.241 346 E HN 0.488 nan 8.360 nan 0.000 0.432 347 I N 1.649 122.131 120.570 -0.146 0.000 2.354 347 I HA 0.172 4.342 4.170 -0.000 0.000 0.286 347 I C -0.225 175.792 176.117 -0.167 0.000 1.007 347 I CA -0.650 60.504 61.300 -0.244 0.000 1.167 347 I CB 1.193 39.007 38.000 -0.309 0.000 1.320 347 I HN 0.231 nan 8.210 nan 0.000 0.458 348 E N 5.156 125.257 120.200 -0.165 0.000 2.073 348 E HA 0.331 4.680 4.350 -0.000 0.000 0.269 348 E C 0.252 176.793 176.600 -0.098 0.000 0.917 348 E CA -0.042 56.292 56.400 -0.111 0.000 0.757 348 E CB 1.670 31.308 29.700 -0.103 0.000 1.111 348 E HN 0.750 nan 8.360 nan 0.000 0.410 349 S N 3.995 119.658 115.700 -0.061 0.000 4.139 349 S HA -0.356 4.114 4.470 -0.000 0.000 0.603 349 S C 0.694 175.303 174.600 0.015 0.000 1.897 349 S CA 2.199 60.389 58.200 -0.016 0.000 4.241 349 S CB -1.100 62.092 63.200 -0.013 0.000 0.221 349 S HN 0.829 nan 8.310 nan 0.000 0.488 350 N N 0.378 119.113 118.700 0.058 0.000 2.321 350 N HA 0.375 5.115 4.740 -0.000 0.000 0.242 350 N C -0.629 174.984 175.510 0.171 0.000 1.141 350 N CA 0.108 53.279 53.050 0.202 0.000 0.864 350 N CB 0.939 39.555 38.487 0.215 0.000 1.100 350 N HN 0.311 nan 8.380 nan 0.000 0.510 351 T N 0.320 114.851 114.554 -0.039 0.000 2.824 351 T HA 0.289 4.639 4.350 -0.000 0.000 0.282 351 T C -0.955 173.588 174.700 -0.262 0.000 0.993 351 T CA -0.680 61.382 62.100 -0.063 0.000 0.967 351 T CB 2.345 71.168 68.868 -0.075 0.000 0.960 351 T HN 0.019 nan 8.240 nan 0.000 0.441 352 V N 5.592 125.355 119.914 -0.252 0.000 2.383 352 V HA 0.555 4.675 4.120 -0.000 0.000 0.275 352 V C -0.578 175.476 176.094 -0.067 0.000 1.036 352 V CA -0.803 61.343 62.300 -0.257 0.000 0.889 352 V CB 0.262 31.919 31.823 -0.276 0.000 0.985 352 V HN 0.798 nan 8.190 nan 0.000 0.459 353 I N 7.221 127.734 120.570 -0.096 0.000 2.304 353 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 353 I C -0.249 175.731 176.117 -0.228 0.000 1.018 353 I CA -0.254 60.983 61.300 -0.104 0.000 1.260 353 I CB 0.894 38.831 38.000 -0.106 0.000 1.390 353 I HN 0.511 nan 8.210 nan 0.000 0.475 354 C N 5.382 124.530 119.300 -0.254 0.000 2.382 354 C HA 0.471 4.931 4.460 -0.000 0.000 0.327 354 C C -0.039 174.708 174.990 -0.405 0.000 1.250 354 C CA -0.662 58.221 59.018 -0.225 0.000 1.707 354 C CB 0.427 28.133 27.740 -0.057 0.000 2.272 354 C HN 0.629 nan 8.230 nan 0.000 0.506 355 H N 1.276 120.399 119.070 0.088 0.000 2.792 355 H HA 0.312 4.868 4.556 -0.000 0.000 0.298 355 H C 0.498 175.889 175.328 0.105 0.000 1.042 355 H CA -0.063 56.041 56.048 0.093 0.000 1.300 355 H CB 1.164 30.982 29.762 0.093 0.000 1.431 355 H HN 0.952 nan 8.280 nan 0.000 0.496 356 G N 2.412 111.299 108.800 0.145 0.000 2.305 356 G HA2 0.258 4.218 3.960 -0.000 0.000 0.243 356 G HA3 0.258 4.218 3.960 -0.000 0.000 0.243 356 G C 0.629 175.590 174.900 0.101 0.000 1.288 356 G CA -0.170 44.986 45.100 0.093 0.000 0.901 356 G HN 0.460 nan 8.290 nan 0.000 0.516 357 V N 0.356 120.301 119.914 0.051 0.000 3.093 357 V HA 0.558 4.678 4.120 -0.000 0.000 0.320 357 V C 1.034 177.135 176.094 0.011 0.000 1.093 357 V CA -0.702 61.616 62.300 0.030 0.000 1.016 357 V CB 2.093 33.885 31.823 -0.053 0.000 1.096 357 V HN 0.633 nan 8.190 nan 0.000 0.452 358 E N 1.175 121.382 120.200 0.012 0.000 2.072 358 E HA 0.013 4.363 4.350 -0.000 0.000 0.190 358 E C 0.353 176.951 176.600 -0.003 0.000 0.982 358 E CA 1.367 57.772 56.400 0.009 0.000 0.803 358 E CB 0.240 29.949 29.700 0.015 0.000 0.755 358 E HN 0.875 nan 8.360 nan 0.000 0.453 359 K N -0.748 119.644 120.400 -0.013 0.000 2.562 359 K HA 0.382 4.701 4.320 -0.000 0.000 0.267 359 K C -0.755 175.826 176.600 -0.033 0.000 0.938 359 K CA -0.644 55.631 56.287 -0.019 0.000 0.840 359 K CB 1.041 33.533 32.500 -0.012 0.000 1.390 359 K HN -0.158 nan 8.250 nan 0.000 0.428 360 L N 1.074 122.277 121.223 -0.033 0.000 2.416 360 L HA 0.464 4.803 4.340 -0.000 0.000 0.262 360 L C -0.174 176.680 176.870 -0.027 0.000 1.093 360 L CA -0.950 53.866 54.840 -0.040 0.000 0.801 360 L CB 1.751 43.789 42.059 -0.036 0.000 1.191 360 L HN 0.716 nan 8.230 nan 0.000 0.459 361 S N -0.483 115.202 115.700 -0.025 0.000 2.482 361 S HA 0.527 4.997 4.470 -0.000 0.000 0.303 361 S C 0.147 174.742 174.600 -0.009 0.000 1.091 361 S CA -0.777 57.414 58.200 -0.014 0.000 1.057 361 S CB 1.627 64.820 63.200 -0.011 0.000 1.031 361 S HN 0.800 nan 8.310 nan 0.000 0.485 362 G N 1.189 109.987 108.800 -0.004 0.000 2.484 362 G HA2 0.489 4.449 3.960 -0.000 0.000 0.235 362 G HA3 0.489 4.449 3.960 -0.000 0.000 0.235 362 G C -0.148 174.755 174.900 0.005 0.000 1.282 362 G CA 0.213 45.314 45.100 0.001 0.000 0.857 362 G HN 1.111 nan 8.290 nan 0.000 0.571 363 A N 1.521 124.347 122.820 0.010 0.000 2.511 363 A HA 0.670 4.990 4.320 -0.000 0.000 0.293 363 A C -0.706 176.889 177.584 0.018 0.000 1.098 363 A CA -0.784 51.260 52.037 0.012 0.000 0.643 363 A CB 0.795 19.801 19.000 0.010 0.000 1.302 363 A HN 0.675 nan 8.150 nan 0.000 0.446 364 Q N 0.292 120.103 119.800 0.019 0.000 2.279 364 Q HA 0.531 4.870 4.340 -0.000 0.000 0.256 364 Q C -0.288 175.726 176.000 0.023 0.000 0.937 364 Q CA -0.589 55.228 55.803 0.023 0.000 0.933 364 Q CB 1.634 30.385 28.738 0.021 0.000 1.189 364 Q HN 0.998 nan 8.270 nan 0.000 0.417 365 V N -0.441 119.489 119.914 0.027 0.000 3.040 365 V HA 0.675 4.795 4.120 -0.000 0.000 0.312 365 V C -0.824 175.285 176.094 0.026 0.000 1.115 365 V CA -1.221 61.094 62.300 0.026 0.000 0.998 365 V CB 2.254 34.093 31.823 0.028 0.000 1.042 365 V HN 0.852 nan 8.190 nan 0.000 0.433 366 M N 3.003 122.615 119.600 0.021 0.000 2.181 366 M HA 0.800 5.279 4.480 -0.000 0.000 0.323 366 M C -0.067 176.233 176.300 0.001 0.000 1.004 366 M CA -0.549 54.761 55.300 0.017 0.000 0.941 366 M CB 1.437 34.050 32.600 0.021 0.000 1.579 366 M HN 1.209 nan 8.290 nan 0.000 0.427 367 A N 2.903 125.718 122.820 -0.008 0.000 2.351 367 A HA 0.596 4.916 4.320 -0.000 0.000 0.257 367 A C 0.659 178.153 177.584 -0.149 0.000 1.087 367 A CA 0.169 52.177 52.037 -0.049 0.000 0.798 367 A CB 0.193 19.176 19.000 -0.029 0.000 1.033 367 A HN 0.964 nan 8.150 nan 0.000 0.488 368 T N -2.522 111.822 114.554 -0.349 0.000 3.147 368 T HA 0.191 4.540 4.350 -0.000 0.000 0.275 368 T C -0.353 173.846 174.700 -0.835 0.000 0.879 368 T CA 0.395 62.058 62.100 -0.728 0.000 0.863 368 T CB 0.046 68.724 68.868 -0.316 0.000 1.236 368 T HN 0.589 nan 8.240 nan 0.000 0.582 369 D N 1.104 121.244 120.400 -0.433 0.000 2.549 369 D HA 0.311 4.951 4.640 -0.000 0.000 0.251 369 D C 1.013 177.247 176.300 -0.109 0.000 1.153 369 D CA -0.643 53.211 54.000 -0.243 0.000 0.861 369 D CB 2.079 42.791 40.800 -0.147 0.000 1.207 369 D HN -0.026 nan 8.370 nan 0.000 0.543 370 L N 4.611 125.800 121.223 -0.058 0.000 2.123 370 L HA -0.229 4.111 4.340 -0.000 0.000 0.217 370 L C 1.853 178.765 176.870 0.070 0.000 1.081 370 L CA 1.939 56.795 54.840 0.027 0.000 0.772 370 L CB -0.047 42.008 42.059 -0.006 0.000 0.890 370 L HN 0.429 nan 8.230 nan 0.000 0.437 371 R N -2.299 118.224 120.500 0.039 0.000 2.167 371 R HA 0.326 4.666 4.340 -0.000 0.000 0.195 371 R C 2.052 178.425 176.300 0.121 0.000 1.027 371 R CA 0.946 57.125 56.100 0.132 0.000 1.114 371 R CB -0.980 29.333 30.300 0.022 0.000 1.075 371 R HN 0.337 nan 8.270 nan 0.000 0.538 372 A N 1.071 123.888 122.820 -0.005 0.000 1.940 372 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 372 A C 2.063 179.599 177.584 -0.081 0.000 1.176 372 A CA 1.843 53.825 52.037 -0.092 0.000 0.631 372 A CB -0.441 18.468 19.000 -0.152 0.000 0.814 372 A HN 0.220 nan 8.150 nan 0.000 0.446 373 S N -0.299 115.381 115.700 -0.033 0.000 2.515 373 S HA 0.114 4.584 4.470 -0.000 0.000 0.231 373 S C 2.058 176.636 174.600 -0.037 0.000 0.987 373 S CA 0.675 58.859 58.200 -0.025 0.000 0.936 373 S CB -0.306 62.873 63.200 -0.035 0.000 0.766 373 S HN 0.781 nan 8.310 nan 0.000 0.528 374 A N 1.976 124.753 122.820 -0.070 0.000 2.032 374 A HA -0.153 4.167 4.320 -0.000 0.000 0.221 374 A C 2.303 179.783 177.584 -0.174 0.000 1.165 374 A CA 1.881 53.786 52.037 -0.219 0.000 0.645 374 A CB -0.905 17.803 19.000 -0.486 0.000 0.807 374 A HN 0.644 nan 8.150 nan 0.000 0.453 375 S N -0.106 115.526 115.700 -0.114 0.000 2.419 375 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 375 S C 1.783 176.353 174.600 -0.050 0.000 1.016 375 S CA 1.328 59.475 58.200 -0.088 0.000 0.974 375 S CB -0.665 62.492 63.200 -0.071 0.000 0.786 375 S HN 0.502 nan 8.310 nan 0.000 0.492 376 L N 0.910 122.118 121.223 -0.025 0.000 2.109 376 L HA -0.002 4.338 4.340 -0.000 0.000 0.207 376 L C 2.666 179.529 176.870 -0.011 0.000 1.086 376 L CA 0.761 55.602 54.840 0.002 0.000 0.760 376 L CB -0.733 41.341 42.059 0.024 0.000 0.910 376 L HN 0.238 nan 8.230 nan 0.000 0.437 377 V N -0.167 119.729 119.914 -0.030 0.000 2.295 377 V HA -0.270 3.849 4.120 -0.000 0.000 0.246 377 V C 2.455 178.494 176.094 -0.093 0.000 1.049 377 V CA 1.378 63.646 62.300 -0.054 0.000 1.024 377 V CB -0.410 31.354 31.823 -0.099 0.000 0.648 377 V HN 0.231 nan 8.190 nan 0.000 0.447 378 L N 0.587 121.740 121.223 -0.116 0.000 2.042 378 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 378 L C 2.629 179.456 176.870 -0.071 0.000 1.076 378 L CA 2.302 57.076 54.840 -0.110 0.000 0.749 378 L CB -1.272 40.707 42.059 -0.133 0.000 0.893 378 L HN 0.299 nan 8.230 nan 0.000 0.432 379 A N -0.618 122.172 122.820 -0.051 0.000 1.908 379 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 379 A C 2.432 179.999 177.584 -0.029 0.000 1.181 379 A CA 1.734 53.752 52.037 -0.032 0.000 0.627 379 A CB -1.402 17.590 19.000 -0.014 0.000 0.818 379 A HN 0.453 nan 8.150 nan 0.000 0.445 380 G N -0.978 107.805 108.800 -0.028 0.000 2.442 380 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 380 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 380 G C 1.546 176.427 174.900 -0.032 0.000 1.141 380 G CA 1.298 46.385 45.100 -0.022 0.000 0.763 380 G HN 0.531 nan 8.290 nan 0.000 0.554 381 C N 0.660 119.932 119.300 -0.047 0.000 2.422 381 C HA 0.022 4.482 4.460 -0.000 0.000 0.279 381 C C 2.623 177.592 174.990 -0.034 0.000 1.305 381 C CA 0.935 59.926 59.018 -0.046 0.000 1.757 381 C CB -0.888 26.819 27.740 -0.056 0.000 1.962 381 C HN 0.667 nan 8.230 nan 0.000 0.499 382 I N -1.377 119.174 120.570 -0.033 0.000 4.057 382 I HA 0.390 4.559 4.170 -0.000 0.000 0.334 382 I C 1.027 177.131 176.117 -0.022 0.000 1.308 382 I CA -0.113 61.171 61.300 -0.027 0.000 1.125 382 I CB -0.371 37.611 38.000 -0.030 0.000 1.034 382 I HN 0.062 nan 8.210 nan 0.000 0.401 383 A N 1.730 124.538 122.820 -0.021 0.000 2.313 383 A HA 0.301 4.621 4.320 -0.000 0.000 0.261 383 A C -0.030 177.546 177.584 -0.013 0.000 1.090 383 A CA -0.196 51.831 52.037 -0.017 0.000 0.807 383 A CB 0.288 19.279 19.000 -0.015 0.000 1.055 383 A HN 0.409 nan 8.150 nan 0.000 0.492 384 E N 0.072 120.265 120.200 -0.011 0.000 1.996 384 E HA 0.470 4.820 4.350 -0.000 0.000 0.280 384 E C 0.684 177.282 176.600 -0.005 0.000 1.092 384 E CA 1.334 57.729 56.400 -0.008 0.000 0.862 384 E CB -0.377 29.319 29.700 -0.007 0.000 1.066 384 E HN 1.459 nan 8.360 nan 0.000 0.396 385 G N 3.074 111.872 108.800 -0.004 0.000 2.460 385 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.207 385 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.207 385 G C -0.546 174.354 174.900 0.001 0.000 1.170 385 G CA -0.337 44.763 45.100 -0.000 0.000 1.151 385 G HN 0.534 nan 8.290 nan 0.000 0.575 386 T N 1.518 116.075 114.554 0.005 0.000 2.779 386 T HA 0.675 5.025 4.350 -0.000 0.000 0.280 386 T C -0.337 174.370 174.700 0.013 0.000 0.987 386 T CA 0.226 62.332 62.100 0.010 0.000 0.966 386 T CB 1.534 70.410 68.868 0.013 0.000 0.933 386 T HN 0.700 nan 8.240 nan 0.000 0.442 387 T N 2.825 117.389 114.554 0.017 0.000 2.807 387 T HA 0.522 4.872 4.350 -0.000 0.000 0.279 387 T C -0.333 174.391 174.700 0.040 0.000 0.993 387 T CA -0.526 61.588 62.100 0.024 0.000 0.970 387 T CB 1.263 70.142 68.868 0.018 0.000 0.950 387 T HN 0.309 nan 8.240 nan 0.000 0.441 388 V N 4.043 123.983 119.914 0.043 0.000 2.357 388 V HA 0.332 4.452 4.120 -0.000 0.000 0.284 388 V C -0.092 176.038 176.094 0.060 0.000 1.018 388 V CA -0.757 61.577 62.300 0.057 0.000 0.841 388 V CB 1.548 33.397 31.823 0.043 0.000 0.991 388 V HN 0.720 nan 8.190 nan 0.000 0.437 389 V N 4.293 124.262 119.914 0.090 0.000 2.334 389 V HA 0.260 4.380 4.120 -0.000 0.000 0.267 389 V C 0.183 176.296 176.094 0.031 0.000 1.040 389 V CA -0.384 61.962 62.300 0.077 0.000 0.866 389 V CB 1.196 33.100 31.823 0.135 0.000 1.019 389 V HN 0.850 nan 8.190 nan 0.000 0.468 390 D N 3.935 124.345 120.400 0.018 0.000 2.339 390 D HA 0.264 4.904 4.640 -0.000 0.000 0.245 390 D C 0.871 177.163 176.300 -0.014 0.000 1.115 390 D CA -0.157 53.845 54.000 0.004 0.000 0.917 390 D CB 0.484 41.298 40.800 0.023 0.000 1.192 390 D HN 0.549 nan 8.370 nan 0.000 0.428 391 R N 2.061 122.553 120.500 -0.013 0.000 3.407 391 R HA -0.143 4.197 4.340 -0.000 0.000 0.277 391 R C 0.919 177.089 176.300 -0.216 0.000 1.119 391 R CA 0.701 56.793 56.100 -0.013 0.000 0.750 391 R CB -2.061 28.264 30.300 0.042 0.000 1.258 391 R HN 0.645 nan 8.270 nan 0.000 0.432 392 I N -1.173 119.280 120.570 -0.195 0.000 3.334 392 I HA -0.112 4.058 4.170 -0.000 0.000 0.282 392 I C 1.673 177.662 176.117 -0.213 0.000 1.313 392 I CA 0.512 61.662 61.300 -0.251 0.000 1.396 392 I CB -0.563 37.131 38.000 -0.511 0.000 1.054 392 I HN 0.368 nan 8.210 nan 0.000 0.495 393 Y N 0.354 120.562 120.300 -0.154 0.000 2.256 393 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 393 Y C 2.437 178.269 175.900 -0.113 0.000 1.155 393 Y CA 1.191 59.198 58.100 -0.155 0.000 1.203 393 Y CB -1.495 36.842 38.460 -0.204 0.000 0.980 393 Y HN 0.162 nan 8.280 nan 0.000 0.530 394 H N 0.834 119.552 119.070 -0.587 0.000 2.319 394 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 394 H C 2.296 177.579 175.328 -0.076 0.000 1.092 394 H CA 2.199 58.064 56.048 -0.305 0.000 1.302 394 H CB -0.349 29.190 29.762 -0.373 0.000 1.373 394 H HN 0.467 nan 8.280 nan 0.000 0.497 395 I N 0.925 121.541 120.570 0.077 0.000 2.394 395 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 395 I C 1.754 177.994 176.117 0.205 0.000 1.136 395 I CA 0.933 62.338 61.300 0.174 0.000 1.425 395 I CB -0.135 37.958 38.000 0.156 0.000 1.079 395 I HN 0.056 nan 8.210 nan 0.000 0.425 396 D N 0.850 121.324 120.400 0.122 0.000 2.263 396 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 396 D C 2.217 178.584 176.300 0.111 0.000 0.971 396 D CA 0.873 54.947 54.000 0.123 0.000 0.867 396 D CB -0.134 40.718 40.800 0.086 0.000 0.929 396 D HN 0.342 nan 8.370 nan 0.000 0.492 397 R N -0.299 120.262 120.500 0.102 0.000 2.193 397 R HA 0.072 4.412 4.340 -0.000 0.000 0.213 397 R C 2.055 178.378 176.300 0.040 0.000 1.055 397 R CA 1.042 57.185 56.100 0.073 0.000 0.995 397 R CB 0.078 30.424 30.300 0.076 0.000 0.893 397 R HN 0.122 nan 8.270 nan 0.000 0.459 398 G N -1.198 107.631 108.800 0.048 0.000 2.743 398 G HA2 0.056 4.016 3.960 -0.000 0.000 0.206 398 G HA3 0.056 4.016 3.960 -0.000 0.000 0.206 398 G C -0.156 174.553 174.900 -0.318 0.000 1.115 398 G CA -0.067 44.955 45.100 -0.130 0.000 0.782 398 G HN 0.079 nan 8.290 nan 0.000 0.524 399 Y N -0.011 120.322 120.300 0.055 0.000 2.442 399 Y HA 0.437 4.987 4.550 -0.000 0.000 0.344 399 Y C -0.220 175.733 175.900 0.088 0.000 0.976 399 Y CA -1.155 56.986 58.100 0.070 0.000 1.040 399 Y CB 2.015 40.511 38.460 0.061 0.000 1.228 399 Y HN -0.034 nan 8.280 nan 0.000 0.451 400 E N 4.430 124.764 120.200 0.224 0.000 2.029 400 E HA 0.188 4.538 4.350 -0.000 0.000 0.276 400 E C -0.477 176.233 176.600 0.183 0.000 1.163 400 E CA -0.262 56.237 56.400 0.165 0.000 0.909 400 E CB 0.120 29.888 29.700 0.114 0.000 1.046 400 E HN 0.662 nan 8.360 nan 0.000 0.406 401 R N 3.621 124.224 120.500 0.172 0.000 3.127 401 R HA -0.220 4.120 4.340 -0.000 0.000 0.247 401 R C 0.976 177.374 176.300 0.163 0.000 0.896 401 R CA 0.394 56.588 56.100 0.157 0.000 0.624 401 R CB -1.826 28.539 30.300 0.108 0.000 1.154 401 R HN 0.761 nan 8.270 nan 0.000 0.474 402 I N 1.353 122.035 120.570 0.187 0.000 2.394 402 I HA -0.254 3.915 4.170 -0.000 0.000 0.251 402 I C 2.570 178.702 176.117 0.025 0.000 1.136 402 I CA 1.829 63.212 61.300 0.138 0.000 1.425 402 I CB -0.010 37.999 38.000 0.014 0.000 1.079 402 I HN 0.480 nan 8.210 nan 0.000 0.425 403 E N 0.371 120.538 120.200 -0.054 0.000 2.150 403 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 403 E C 1.176 177.739 176.600 -0.062 0.000 0.985 403 E CA 1.334 57.621 56.400 -0.189 0.000 0.814 403 E CB -0.456 29.085 29.700 -0.265 0.000 0.752 403 E HN 0.490 nan 8.360 nan 0.000 0.466 404 D N 1.777 122.179 120.400 0.004 0.000 2.097 404 D HA -0.079 4.560 4.640 -0.000 0.000 0.197 404 D C 1.907 178.199 176.300 -0.014 0.000 0.984 404 D CA 1.223 55.225 54.000 0.003 0.000 0.826 404 D CB -0.117 40.696 40.800 0.021 0.000 0.973 404 D HN 0.287 nan 8.370 nan 0.000 0.460 405 K N 0.320 120.722 120.400 0.003 0.000 2.097 405 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 405 K C 2.327 178.904 176.600 -0.038 0.000 1.050 405 K CA 0.489 56.737 56.287 -0.066 0.000 0.938 405 K CB -0.066 32.363 32.500 -0.118 0.000 0.718 405 K HN 0.143 nan 8.250 nan 0.000 0.442 406 L N 0.444 121.700 121.223 0.054 0.000 2.093 406 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 406 L C 2.715 179.572 176.870 -0.021 0.000 1.085 406 L CA 1.016 55.884 54.840 0.047 0.000 0.755 406 L CB -0.262 41.791 42.059 -0.009 0.000 0.904 406 L HN 0.149 nan 8.230 nan 0.000 0.435 407 R N 0.305 120.780 120.500 -0.042 0.000 2.092 407 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 407 R C 2.172 178.449 176.300 -0.039 0.000 1.119 407 R CA 1.221 57.295 56.100 -0.043 0.000 0.970 407 R CB -0.201 30.074 30.300 -0.042 0.000 0.864 407 R HN 0.311 nan 8.270 nan 0.000 0.440 408 A N 0.120 122.913 122.820 -0.046 0.000 2.216 408 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 408 A C 1.571 179.121 177.584 -0.056 0.000 1.160 408 A CA 0.807 52.812 52.037 -0.053 0.000 0.725 408 A CB -0.172 18.787 19.000 -0.069 0.000 0.784 408 A HN 0.347 nan 8.150 nan 0.000 0.472 409 L N -2.063 119.132 121.223 -0.048 0.000 2.693 409 L HA 0.322 4.662 4.340 -0.000 0.000 0.235 409 L C 1.404 178.258 176.870 -0.027 0.000 1.127 409 L CA 0.532 55.349 54.840 -0.038 0.000 0.914 409 L CB 0.383 42.429 42.059 -0.022 0.000 1.193 409 L HN 0.493 nan 8.230 nan 0.000 0.502 410 G N 0.140 108.923 108.800 -0.029 0.000 2.168 410 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.197 410 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.197 410 G C 0.301 175.185 174.900 -0.027 0.000 0.997 410 G CA -0.164 44.920 45.100 -0.025 0.000 0.658 410 G HN 0.381 nan 8.290 nan 0.000 0.513 411 A N 0.108 122.908 122.820 -0.032 0.000 2.401 411 A HA 0.615 4.934 4.320 -0.000 0.000 0.259 411 A C 0.311 177.867 177.584 -0.046 0.000 1.103 411 A CA -0.145 51.866 52.037 -0.043 0.000 0.789 411 A CB 0.261 19.228 19.000 -0.056 0.000 1.035 411 A HN 0.274 nan 8.150 nan 0.000 0.491 412 N N 1.914 120.588 118.700 -0.044 0.000 2.767 412 N HA 0.370 5.110 4.740 -0.000 0.000 0.238 412 N C -1.059 174.424 175.510 -0.046 0.000 1.083 412 N CA 0.188 53.216 53.050 -0.036 0.000 0.964 412 N CB 0.795 39.268 38.487 -0.023 0.000 1.252 412 N HN 0.687 nan 8.380 nan 0.000 0.512 413 I N -0.280 120.254 120.570 -0.059 0.000 2.656 413 I HA 0.375 4.544 4.170 -0.000 0.000 0.292 413 I C -1.281 174.810 176.117 -0.042 0.000 1.144 413 I CA -0.570 60.678 61.300 -0.086 0.000 1.038 413 I CB 2.373 40.251 38.000 -0.204 0.000 1.244 413 I HN 0.172 nan 8.210 nan 0.000 0.420 414 E N 6.919 127.137 120.200 0.029 0.000 2.314 414 E HA 0.359 4.709 4.350 -0.000 0.000 0.272 414 E C -1.449 175.293 176.600 0.238 0.000 0.884 414 E CA -0.941 55.517 56.400 0.097 0.000 0.753 414 E CB 2.335 32.075 29.700 0.067 0.000 1.213 414 E HN 0.630 nan 8.360 nan 0.000 0.432 415 R N 3.767 124.416 120.500 0.247 0.000 2.198 415 R HA 0.317 4.657 4.340 -0.000 0.000 0.339 415 R C -0.492 175.875 176.300 0.112 0.000 1.020 415 R CA -0.390 55.864 56.100 0.257 0.000 0.864 415 R CB 0.696 31.150 30.300 0.256 0.000 1.105 415 R HN 0.332 nan 8.270 nan 0.000 0.463 416 V N 1.982 121.939 119.914 0.072 0.000 2.994 416 V HA 0.545 4.665 4.120 -0.000 0.000 0.318 416 V C -0.372 175.727 176.094 0.009 0.000 1.085 416 V CA -0.786 61.537 62.300 0.038 0.000 0.998 416 V CB 2.123 33.971 31.823 0.040 0.000 1.063 416 V HN 0.697 nan 8.190 nan 0.000 0.447 417 K N 2.924 123.328 120.400 0.008 0.000 2.832 417 K HA 0.359 4.679 4.320 -0.000 0.000 0.211 417 K C 0.666 177.266 176.600 -0.001 0.000 1.112 417 K CA 0.299 56.584 56.287 -0.002 0.000 1.108 417 K CB 0.381 32.881 32.500 -0.000 0.000 0.899 417 K HN 0.991 nan 8.250 nan 0.000 0.464 418 G N 0.000 108.801 108.800 0.002 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 45.103 45.100 0.004 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925