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_C 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 0.000 176.283 176.300 -0.028 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.033 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 2 D N 2.790 123.164 120.400 -0.043 0.000 2.400 2 D HA 0.426 5.065 4.640 -0.000 0.000 0.238 2 D C 0.064 176.294 176.300 -0.117 0.000 1.157 2 D CA 0.660 54.612 54.000 -0.081 0.000 0.889 2 D CB 1.166 41.895 40.800 -0.117 0.000 1.199 2 D HN 0.317 nan 8.370 nan 0.000 0.436 3 K N 0.308 120.629 120.400 -0.132 0.000 2.480 3 K HA 0.479 4.799 4.320 -0.000 0.000 0.258 3 K C -1.103 175.428 176.600 -0.115 0.000 0.990 3 K CA -0.829 55.385 56.287 -0.123 0.000 0.857 3 K CB 1.608 34.099 32.500 -0.016 0.000 1.384 3 K HN 0.136 nan 8.250 nan 0.000 0.446 4 F N 1.552 121.513 119.950 0.018 0.000 2.427 4 F HA 0.400 4.927 4.527 -0.000 0.000 0.346 4 F C 0.329 176.134 175.800 0.008 0.000 1.120 4 F CA -0.848 57.158 58.000 0.010 0.000 1.033 4 F CB 1.428 40.429 39.000 0.001 0.000 1.126 4 F HN 0.259 nan 8.300 nan 0.000 0.462 5 R N 3.404 124.037 120.500 0.222 0.000 2.294 5 R HA 0.738 5.078 4.340 -0.000 0.000 0.319 5 R C -1.920 174.423 176.300 0.071 0.000 0.984 5 R CA -0.324 55.844 56.100 0.114 0.000 0.861 5 R CB 1.048 31.395 30.300 0.079 0.000 1.104 5 R HN 0.506 nan 8.270 nan 0.000 0.451 6 V N 4.506 124.446 119.914 0.044 0.000 2.656 6 V HA 0.339 4.459 4.120 -0.000 0.000 0.307 6 V C -0.644 175.450 176.094 0.001 0.000 1.051 6 V CA -0.913 61.389 62.300 0.003 0.000 0.893 6 V CB 1.931 33.746 31.823 -0.013 0.000 0.999 6 V HN 0.742 nan 8.190 nan 0.000 0.426 7 Q N 2.514 122.308 119.800 -0.009 0.000 2.331 7 Q HA 0.720 5.060 4.340 -0.000 0.000 0.267 7 Q C 0.004 175.996 176.000 -0.013 0.000 1.006 7 Q CA -0.224 55.575 55.803 -0.007 0.000 0.818 7 Q CB 2.674 31.410 28.738 -0.005 0.000 1.276 7 Q HN 1.003 nan 8.270 nan 0.000 0.450 8 G N 2.412 111.206 108.800 -0.010 0.000 2.766 8 G HA2 0.696 4.656 3.960 -0.000 0.000 0.288 8 G HA3 0.696 4.656 3.960 -0.000 0.000 0.288 8 G C -2.904 171.991 174.900 -0.009 0.000 1.408 8 G CA -1.115 43.978 45.100 -0.013 0.000 0.852 8 G HN 0.285 nan 8.290 nan 0.000 0.487 9 P HA 0.419 nan 4.420 nan 0.000 0.276 9 P C -0.773 176.519 177.300 -0.014 0.000 1.244 9 P CA 0.010 63.102 63.100 -0.013 0.000 0.801 9 P CB 1.905 33.598 31.700 -0.011 0.000 1.006 10 T N 0.165 114.709 114.554 -0.017 0.000 2.993 10 T HA 0.308 4.658 4.350 -0.000 0.000 0.312 10 T C -1.121 173.569 174.700 -0.017 0.000 1.115 10 T CA -0.751 61.338 62.100 -0.017 0.000 1.027 10 T CB 0.930 69.785 68.868 -0.021 0.000 1.116 10 T HN 0.402 nan 8.240 nan 0.000 0.464 11 K N 5.331 125.722 120.400 -0.015 0.000 2.253 11 K HA 0.556 4.876 4.320 -0.000 0.000 0.277 11 K C -0.631 175.960 176.600 -0.015 0.000 1.053 11 K CA -0.601 55.677 56.287 -0.015 0.000 0.892 11 K CB 0.349 32.841 32.500 -0.013 0.000 1.102 11 K HN 0.507 nan 8.250 nan 0.000 0.469 12 L N 6.091 127.307 121.223 -0.013 0.000 2.281 12 L HA 0.263 4.603 4.340 -0.000 0.000 0.285 12 L C -0.097 176.767 176.870 -0.010 0.000 1.074 12 L CA -0.213 54.623 54.840 -0.007 0.000 0.817 12 L CB 0.641 42.705 42.059 0.009 0.000 1.168 12 L HN 0.770 nan 8.230 nan 0.000 0.434 13 Q N 2.665 122.455 119.800 -0.017 0.000 2.482 13 Q HA 0.852 5.191 4.340 -0.000 0.000 0.286 13 Q C -0.367 175.614 176.000 -0.033 0.000 1.007 13 Q CA -0.607 55.182 55.803 -0.023 0.000 0.801 13 Q CB 2.798 31.521 28.738 -0.025 0.000 1.455 13 Q HN 0.660 nan 8.270 nan 0.000 0.398 14 G N 0.872 109.649 108.800 -0.039 0.000 2.225 14 G HA2 0.074 4.034 3.960 -0.000 0.000 0.203 14 G HA3 0.074 4.034 3.960 -0.000 0.000 0.203 14 G C -1.557 173.307 174.900 -0.061 0.000 1.335 14 G CA -0.048 45.021 45.100 -0.051 0.000 1.183 14 G HN 1.079 nan 8.290 nan 0.000 0.488 15 E N -1.936 118.217 120.200 -0.079 0.000 2.433 15 E HA 0.778 5.128 4.350 -0.000 0.000 0.273 15 E C -1.527 174.989 176.600 -0.140 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 1.492 nan 8.360 nan 0.000 0.455 16 V N 0.464 120.280 119.914 -0.164 0.000 2.932 16 V HA 0.423 4.543 4.120 -0.000 0.000 0.307 16 V C -1.383 174.612 176.094 -0.165 0.000 1.147 16 V CA -0.310 61.836 62.300 -0.256 0.000 0.951 16 V CB 2.474 33.964 31.823 -0.556 0.000 1.031 16 V HN 0.883 nan 8.190 nan 0.000 0.426 17 T N 7.543 122.014 114.554 -0.139 0.000 2.767 17 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 17 T C -0.123 174.551 174.700 -0.043 0.000 0.963 17 T CA -0.220 61.841 62.100 -0.065 0.000 1.019 17 T CB 0.534 69.377 68.868 -0.042 0.000 0.923 17 T HN 0.456 nan 8.240 nan 0.000 0.468 18 I N 3.275 123.848 120.570 0.005 0.000 2.496 18 I HA 0.173 4.343 4.170 -0.000 0.000 0.285 18 I C 1.152 177.298 176.117 0.048 0.000 1.080 18 I CA -0.084 61.247 61.300 0.052 0.000 1.404 18 I CB 0.444 38.488 38.000 0.074 0.000 1.403 18 I HN 0.565 nan 8.210 nan 0.000 0.539 19 S N 4.053 119.796 115.700 0.071 0.000 2.624 19 S HA 0.461 4.931 4.470 -0.000 0.000 0.263 19 S C 0.691 175.314 174.600 0.037 0.000 1.287 19 S CA -0.560 57.671 58.200 0.052 0.000 0.990 19 S CB 1.071 64.312 63.200 0.068 0.000 0.950 19 S HN 0.850 nan 8.310 nan 0.000 0.561 20 G N 0.146 108.958 108.800 0.020 0.000 2.544 20 G HA2 0.439 4.399 3.960 -0.000 0.000 0.242 20 G HA3 0.439 4.399 3.960 -0.000 0.000 0.242 20 G C -0.065 174.839 174.900 0.006 0.000 1.247 20 G CA -0.392 44.713 45.100 0.008 0.000 0.840 20 G HN 0.910 nan 8.290 nan 0.000 0.578 21 A N 1.557 124.377 122.820 0.001 0.000 2.484 21 A HA 0.230 4.550 4.320 -0.000 0.000 0.268 21 A C 1.673 179.251 177.584 -0.010 0.000 1.114 21 A CA 0.201 52.233 52.037 -0.007 0.000 0.780 21 A CB 0.205 19.201 19.000 -0.008 0.000 1.061 21 A HN 0.908 nan 8.150 nan 0.000 0.505 22 K N 2.445 122.833 120.400 -0.021 0.000 2.074 22 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 22 K C 0.542 177.158 176.600 0.026 0.000 1.048 22 K CA 2.102 58.382 56.287 -0.013 0.000 0.926 22 K CB -0.071 32.398 32.500 -0.051 0.000 0.713 22 K HN 0.716 nan 8.250 nan 0.000 0.444 23 N N -0.303 118.415 118.700 0.030 0.000 2.383 23 N HA 0.056 4.796 4.740 -0.000 0.000 0.192 23 N C 0.627 176.175 175.510 0.063 0.000 1.141 23 N CA 0.638 53.742 53.050 0.091 0.000 0.851 23 N CB 0.798 39.339 38.487 0.090 0.000 0.976 23 N HN 0.331 nan 8.380 nan 0.000 0.465 24 A N 0.092 122.918 122.820 0.010 0.000 1.963 24 A HA 0.410 4.730 4.320 -0.000 0.000 0.207 24 A C 2.185 179.726 177.584 -0.072 0.000 1.243 24 A CA 0.804 52.820 52.037 -0.034 0.000 0.728 24 A CB -0.573 18.417 19.000 -0.017 0.000 0.895 24 A HN 0.165 nan 8.150 nan 0.000 0.467 25 A N 0.200 122.991 122.820 -0.048 0.000 1.884 25 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 25 A C 2.045 179.585 177.584 -0.073 0.000 1.197 25 A CA 2.016 54.007 52.037 -0.077 0.000 0.637 25 A CB -0.753 18.220 19.000 -0.045 0.000 0.827 25 A HN 0.407 nan 8.150 nan 0.000 0.450 26 L N -0.086 121.161 121.223 0.041 0.000 1.989 26 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 26 L C -0.438 176.551 176.870 0.198 0.000 1.071 26 L CA 2.614 57.570 54.840 0.193 0.000 0.749 26 L CB -1.314 40.991 42.059 0.409 0.000 0.890 26 L HN 0.240 nan 8.230 nan 0.000 0.431 27 P HA -0.103 nan 4.420 nan 0.000 0.219 27 P C 2.062 179.183 177.300 -0.298 0.000 1.150 27 P CA 1.379 64.157 63.100 -0.538 0.000 0.814 27 P CB 0.072 31.262 31.700 -0.851 0.000 0.787 28 I N -1.426 118.957 120.570 -0.312 0.000 2.202 28 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 28 I C 2.050 177.900 176.117 -0.446 0.000 1.091 28 I CA 1.091 62.081 61.300 -0.517 0.000 1.368 28 I CB -0.678 36.883 38.000 -0.731 0.000 1.058 28 I HN -0.134 nan 8.210 nan 0.000 0.410 29 L N -0.103 120.922 121.223 -0.330 0.000 2.043 29 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 29 L C 2.171 178.868 176.870 -0.288 0.000 1.075 29 L CA 2.117 56.762 54.840 -0.325 0.000 0.752 29 L CB -0.842 40.986 42.059 -0.384 0.000 0.891 29 L HN 0.111 nan 8.230 nan 0.000 0.432 30 F N -1.225 118.697 119.950 -0.048 0.000 2.367 30 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 30 F C 2.338 178.150 175.800 0.020 0.000 1.094 30 F CA 0.775 58.788 58.000 0.021 0.000 1.409 30 F CB -0.854 38.194 39.000 0.080 0.000 1.064 30 F HN 0.035 nan 8.300 nan 0.000 0.528 31 A N -0.064 122.832 122.820 0.127 0.000 2.014 31 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 31 A C 2.365 180.090 177.584 0.235 0.000 1.163 31 A CA 1.164 53.298 52.037 0.161 0.000 0.652 31 A CB -1.040 18.070 19.000 0.182 0.000 0.808 31 A HN 0.248 nan 8.150 nan 0.000 0.449 32 A N -0.008 122.937 122.820 0.207 0.000 2.076 32 A HA -0.043 4.276 4.320 -0.000 0.000 0.220 32 A C 1.941 179.623 177.584 0.163 0.000 1.160 32 A CA 1.248 53.417 52.037 0.220 0.000 0.653 32 A CB -0.609 18.466 19.000 0.124 0.000 0.801 32 A HN 0.496 nan 8.150 nan 0.000 0.455 33 L N -0.839 120.485 121.223 0.169 0.000 2.349 33 L HA -0.165 4.175 4.340 -0.000 0.000 0.220 33 L C 2.135 179.124 176.870 0.197 0.000 1.130 33 L CA 0.661 55.627 54.840 0.210 0.000 0.791 33 L CB -0.389 41.830 42.059 0.266 0.000 0.918 33 L HN 0.418 nan 8.230 nan 0.000 0.444 34 L N -0.672 120.631 121.223 0.134 0.000 2.270 34 L HA 0.097 4.437 4.340 -0.000 0.000 0.210 34 L C 1.415 178.298 176.870 0.021 0.000 1.104 34 L CA -0.244 54.630 54.840 0.057 0.000 0.804 34 L CB -0.289 41.789 42.059 0.032 0.000 0.937 34 L HN 0.130 nan 8.230 nan 0.000 0.450 35 A N 0.234 123.083 122.820 0.047 0.000 2.401 35 A HA 0.161 4.481 4.320 -0.000 0.000 0.259 35 A C 0.786 178.389 177.584 0.031 0.000 1.103 35 A CA -0.217 51.829 52.037 0.015 0.000 0.789 35 A CB 0.287 19.301 19.000 0.024 0.000 1.035 35 A HN 0.304 nan 8.150 nan 0.000 0.491 36 E N 0.594 120.798 120.200 0.006 0.000 2.476 36 E HA 0.057 4.406 4.350 -0.000 0.000 0.199 36 E C -0.252 176.362 176.600 0.024 0.000 1.021 36 E CA 0.120 56.530 56.400 0.016 0.000 0.907 36 E CB 0.471 30.166 29.700 -0.008 0.000 0.974 36 E HN 0.682 nan 8.360 nan 0.000 0.489 37 E N 0.684 120.896 120.200 0.020 0.000 2.339 37 E HA 0.388 4.738 4.350 -0.000 0.000 0.262 37 E C -2.538 174.088 176.600 0.044 0.000 0.934 37 E CA -2.407 54.009 56.400 0.027 0.000 0.802 37 E CB 1.082 30.790 29.700 0.014 0.000 1.275 37 E HN -0.154 nan 8.360 nan 0.000 0.427 38 P HA 0.192 nan 4.420 nan 0.000 0.272 38 P C -0.828 176.528 177.300 0.093 0.000 1.240 38 P CA -0.233 62.913 63.100 0.077 0.000 0.791 38 P CB 0.648 32.394 31.700 0.077 0.000 0.978 39 V N 0.836 120.823 119.914 0.122 0.000 2.851 39 V HA 0.293 4.413 4.120 -0.000 0.000 0.307 39 V C -0.935 175.229 176.094 0.116 0.000 1.129 39 V CA -0.505 61.880 62.300 0.141 0.000 0.932 39 V CB 2.061 34.000 31.823 0.192 0.000 1.024 39 V HN 0.522 nan 8.190 nan 0.000 0.426 40 E N 4.682 124.931 120.200 0.083 0.000 2.191 40 E HA 0.564 4.914 4.350 -0.000 0.000 0.263 40 E C -1.697 174.878 176.600 -0.041 0.000 0.881 40 E CA -0.683 55.661 56.400 -0.093 0.000 0.757 40 E CB 1.627 31.253 29.700 -0.124 0.000 1.147 40 E HN 0.553 nan 8.360 nan 0.000 0.414 41 I N 4.177 124.679 120.570 -0.113 0.000 2.321 41 I HA 0.155 4.325 4.170 -0.000 0.000 0.291 41 I C 0.172 176.236 176.117 -0.088 0.000 0.998 41 I CA -0.186 61.075 61.300 -0.065 0.000 1.227 41 I CB 1.533 39.451 38.000 -0.136 0.000 1.368 41 I HN 0.456 nan 8.210 nan 0.000 0.466 42 Q N 3.972 123.746 119.800 -0.043 0.000 2.205 42 Q HA 0.363 4.702 4.340 -0.000 0.000 0.249 42 Q C 0.313 176.288 176.000 -0.042 0.000 0.948 42 Q CA -0.727 55.045 55.803 -0.053 0.000 0.895 42 Q CB 0.780 29.489 28.738 -0.047 0.000 1.249 42 Q HN 0.550 nan 8.270 nan 0.000 0.458 43 N N -0.251 118.427 118.700 -0.036 0.000 2.758 43 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 43 N C -1.728 173.769 175.510 -0.021 0.000 1.076 43 N CA 0.263 53.298 53.050 -0.025 0.000 0.696 43 N CB -0.963 37.507 38.487 -0.028 0.000 0.979 43 N HN 0.319 nan 8.380 nan 0.000 0.550 44 V N 1.805 121.702 119.914 -0.027 0.000 2.461 44 V HA 0.420 4.540 4.120 -0.000 0.000 0.275 44 V C -1.503 174.585 176.094 -0.010 0.000 1.047 44 V CA -1.089 61.195 62.300 -0.027 0.000 0.955 44 V CB 1.363 33.159 31.823 -0.046 0.000 0.988 44 V HN 0.191 nan 8.190 nan 0.000 0.471 45 P HA 0.163 nan 4.420 nan 0.000 0.271 45 P C -0.831 176.478 177.300 0.016 0.000 1.218 45 P CA -0.399 62.709 63.100 0.015 0.000 0.780 45 P CB 0.617 32.327 31.700 0.017 0.000 0.901 46 K N 3.249 123.666 120.400 0.029 0.000 2.219 46 K HA 0.414 4.734 4.320 -0.000 0.000 0.280 46 K C -0.169 176.457 176.600 0.043 0.000 1.104 46 K CA -0.191 56.114 56.287 0.031 0.000 0.925 46 K CB 0.112 32.633 32.500 0.034 0.000 1.261 46 K HN 0.453 nan 8.250 nan 0.000 0.445 47 L N 1.907 123.151 121.223 0.034 0.000 2.393 47 L HA 0.298 4.638 4.340 -0.000 0.000 0.260 47 L C 1.157 178.048 176.870 0.035 0.000 1.002 47 L CA -0.920 53.944 54.840 0.040 0.000 0.818 47 L CB 1.917 43.991 42.059 0.025 0.000 1.369 47 L HN 0.390 nan 8.230 nan 0.000 0.412 48 K N 0.500 120.926 120.400 0.043 0.000 2.147 48 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 48 K C 1.109 177.730 176.600 0.036 0.000 1.049 48 K CA 1.519 57.829 56.287 0.039 0.000 0.936 48 K CB 0.154 32.683 32.500 0.047 0.000 0.722 48 K HN 0.541 nan 8.250 nan 0.000 0.446 49 D N -0.555 119.868 120.400 0.038 0.000 2.178 49 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 49 D C 1.645 177.973 176.300 0.047 0.000 0.980 49 D CA 0.775 54.804 54.000 0.049 0.000 0.842 49 D CB 0.077 40.907 40.800 0.049 0.000 0.948 49 D HN -0.004 nan 8.370 nan 0.000 0.472 50 V N 1.078 121.006 119.914 0.024 0.000 2.379 50 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 50 V C 1.733 177.820 176.094 -0.011 0.000 1.044 50 V CA 1.523 63.821 62.300 -0.002 0.000 1.036 50 V CB -0.339 31.477 31.823 -0.011 0.000 0.664 50 V HN 0.087 nan 8.190 nan 0.000 0.453 51 D N 0.181 120.583 120.400 0.003 0.000 2.106 51 D HA -0.179 4.461 4.640 -0.000 0.000 0.191 51 D C 2.255 178.558 176.300 0.004 0.000 0.997 51 D CA 2.116 56.118 54.000 0.002 0.000 0.834 51 D CB -0.683 40.123 40.800 0.010 0.000 0.956 51 D HN 0.372 nan 8.370 nan 0.000 0.448 52 T N 0.310 114.877 114.554 0.022 0.000 2.759 52 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 52 T C 2.179 176.908 174.700 0.049 0.000 1.042 52 T CA 1.463 63.586 62.100 0.038 0.000 1.140 52 T CB -0.264 68.636 68.868 0.054 0.000 0.864 52 T HN 0.048 nan 8.240 nan 0.000 0.455 53 S N 1.179 116.897 115.700 0.029 0.000 2.356 53 S HA -0.020 4.450 4.470 -0.000 0.000 0.223 53 S C 2.128 176.645 174.600 -0.140 0.000 1.032 53 S CA 1.159 59.317 58.200 -0.070 0.000 1.005 53 S CB -0.364 62.716 63.200 -0.199 0.000 0.867 53 S HN 0.433 nan 8.310 nan 0.000 0.449 54 M N 1.089 120.631 119.600 -0.097 0.000 2.117 54 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 54 M C 2.254 178.530 176.300 -0.040 0.000 1.065 54 M CA 1.578 56.832 55.300 -0.077 0.000 1.114 54 M CB -0.462 32.109 32.600 -0.049 0.000 1.361 54 M HN 0.199 nan 8.290 nan 0.000 0.408 55 K N 0.930 121.321 120.400 -0.015 0.000 2.063 55 K HA -0.211 4.109 4.320 -0.000 0.000 0.208 55 K C 1.757 178.364 176.600 0.012 0.000 1.048 55 K CA 1.416 57.703 56.287 0.001 0.000 0.928 55 K CB -0.394 32.112 32.500 0.010 0.000 0.713 55 K HN 0.178 nan 8.250 nan 0.000 0.442 56 L N 0.497 121.739 121.223 0.032 0.000 2.027 56 L HA -0.019 4.320 4.340 -0.000 0.000 0.206 56 L C 1.889 178.787 176.870 0.047 0.000 1.074 56 L CA 1.445 56.328 54.840 0.073 0.000 0.745 56 L CB -0.750 41.416 42.059 0.178 0.000 0.898 56 L HN 0.228 nan 8.230 nan 0.000 0.433 57 L N -0.372 120.849 121.223 -0.003 0.000 1.990 57 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 57 L C 2.910 179.772 176.870 -0.013 0.000 1.072 57 L CA 2.196 57.025 54.840 -0.019 0.000 0.755 57 L CB -1.415 40.594 42.059 -0.083 0.000 0.889 57 L HN 0.528 nan 8.230 nan 0.000 0.432 58 S N -1.265 114.424 115.700 -0.019 0.000 2.359 58 S HA -0.321 4.149 4.470 -0.000 0.000 0.224 58 S C 2.082 176.667 174.600 -0.025 0.000 1.035 58 S CA 1.792 59.981 58.200 -0.018 0.000 1.018 58 S CB -0.297 62.895 63.200 -0.014 0.000 0.876 58 S HN 0.544 nan 8.310 nan 0.000 0.448 59 Q N -0.114 119.676 119.800 -0.017 0.000 2.181 59 Q HA -0.032 4.308 4.340 -0.000 0.000 0.205 59 Q C 1.990 177.956 176.000 -0.057 0.000 0.980 59 Q CA 1.506 57.294 55.803 -0.025 0.000 0.862 59 Q CB -0.202 28.535 28.738 -0.002 0.000 0.905 59 Q HN 0.620 nan 8.270 nan 0.000 0.429 60 L N -1.803 119.387 121.223 -0.055 0.000 2.478 60 L HA 0.084 4.423 4.340 -0.000 0.000 0.223 60 L C 1.257 178.025 176.870 -0.170 0.000 1.140 60 L CA 0.663 55.433 54.840 -0.118 0.000 0.842 60 L CB 0.172 42.195 42.059 -0.059 0.000 0.953 60 L HN 0.524 nan 8.230 nan 0.000 0.452 61 G N -0.689 108.049 108.800 -0.103 0.000 2.175 61 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.182 61 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.182 61 G C 0.245 175.120 174.900 -0.043 0.000 1.003 61 G CA -0.195 44.849 45.100 -0.093 0.000 0.666 61 G HN 0.407 nan 8.290 nan 0.000 0.506 62 A N -0.176 122.631 122.820 -0.021 0.000 2.304 62 A HA 0.766 5.086 4.320 -0.000 0.000 0.271 62 A C 0.285 177.872 177.584 0.004 0.000 1.091 62 A CA 0.066 52.108 52.037 0.008 0.000 0.812 62 A CB 0.555 19.567 19.000 0.020 0.000 1.056 62 A HN 0.279 nan 8.150 nan 0.000 0.489 63 K N 0.556 120.966 120.400 0.017 0.000 2.253 63 K HA 0.529 4.849 4.320 -0.000 0.000 0.277 63 K C -1.188 175.428 176.600 0.025 0.000 1.053 63 K CA 0.099 56.396 56.287 0.016 0.000 0.892 63 K CB 1.290 33.800 32.500 0.018 0.000 1.102 63 K HN 0.393 nan 8.250 nan 0.000 0.469 64 V N 3.198 123.122 119.914 0.018 0.000 2.709 64 V HA 0.530 4.650 4.120 -0.000 0.000 0.308 64 V C -0.842 175.270 176.094 0.031 0.000 1.062 64 V CA -0.952 61.362 62.300 0.024 0.000 0.901 64 V CB 1.801 33.622 31.823 -0.002 0.000 1.003 64 V HN 0.845 nan 8.190 nan 0.000 0.425 65 E N 3.288 123.524 120.200 0.061 0.000 2.412 65 E HA 0.838 5.188 4.350 -0.000 0.000 0.279 65 E C -1.118 175.541 176.600 0.098 0.000 0.984 65 E CA -1.405 55.033 56.400 0.062 0.000 0.788 65 E CB 2.304 32.032 29.700 0.047 0.000 1.277 65 E HN 0.752 nan 8.360 nan 0.000 0.455 66 R N 0.630 121.173 120.500 0.071 0.000 2.604 66 R HA 0.465 4.805 4.340 -0.000 0.000 0.281 66 R C -0.519 175.818 176.300 0.061 0.000 1.020 66 R CA -0.710 55.430 56.100 0.067 0.000 0.899 66 R CB 1.361 31.673 30.300 0.020 0.000 1.205 66 R HN 0.578 nan 8.270 nan 0.000 0.450 67 D N 1.813 122.255 120.400 0.070 0.000 3.758 67 D HA -0.280 4.360 4.640 -0.000 0.000 0.267 67 D C 1.228 177.546 176.300 0.031 0.000 0.733 67 D CA 3.349 57.377 54.000 0.046 0.000 0.807 67 D CB -0.125 40.692 40.800 0.028 0.000 0.410 67 D HN 0.728 nan 8.370 nan 0.000 0.269 68 G N -2.041 106.768 108.800 0.015 0.000 2.608 68 G HA2 0.219 4.178 3.960 -0.000 0.000 0.210 68 G HA3 0.219 4.178 3.960 -0.000 0.000 0.210 68 G C 0.075 174.961 174.900 -0.023 0.000 1.139 68 G CA 0.564 45.663 45.100 -0.000 0.000 0.812 68 G HN 0.390 nan 8.290 nan 0.000 0.529 69 S N -0.978 114.699 115.700 -0.038 0.000 2.718 69 S HA 0.700 5.170 4.470 -0.000 0.000 0.300 69 S C -0.941 173.581 174.600 -0.131 0.000 1.117 69 S CA -0.555 57.575 58.200 -0.117 0.000 1.002 69 S CB 2.442 65.514 63.200 -0.212 0.000 1.092 69 S HN -0.005 nan 8.310 nan 0.000 0.542 70 V N 2.051 121.845 119.914 -0.201 0.000 2.540 70 V HA 0.385 4.504 4.120 -0.000 0.000 0.302 70 V C -0.935 175.021 176.094 -0.229 0.000 1.035 70 V CA -0.630 61.585 62.300 -0.142 0.000 0.873 70 V CB 1.510 33.274 31.823 -0.099 0.000 0.992 70 V HN 0.808 nan 8.190 nan 0.000 0.428 71 H N 5.272 124.340 119.070 -0.003 0.000 2.476 71 H HA 0.612 5.168 4.556 -0.000 0.000 0.328 71 H C -0.851 174.480 175.328 0.005 0.000 1.073 71 H CA -0.270 55.784 56.048 0.009 0.000 1.229 71 H CB 2.115 31.884 29.762 0.011 0.000 1.432 71 H HN 0.453 nan 8.280 nan 0.000 0.477 72 I N 2.725 123.365 120.570 0.116 0.000 2.466 72 I HA 0.060 4.230 4.170 -0.000 0.000 0.289 72 I C -0.403 175.766 176.117 0.087 0.000 1.026 72 I CA -0.580 60.765 61.300 0.074 0.000 1.078 72 I CB 2.165 40.188 38.000 0.037 0.000 1.249 72 I HN 0.426 nan 8.210 nan 0.000 0.429 73 D N 5.612 126.054 120.400 0.070 0.000 2.453 73 D HA 0.497 5.137 4.640 -0.000 0.000 0.238 73 D C 0.033 176.372 176.300 0.066 0.000 1.088 73 D CA -0.326 53.713 54.000 0.066 0.000 0.854 73 D CB 1.960 42.791 40.800 0.052 0.000 1.076 73 D HN 0.626 nan 8.370 nan 0.000 0.533 74 A N 4.367 127.237 122.820 0.083 0.000 2.545 74 A HA 0.170 4.489 4.320 -0.000 0.000 0.277 74 A C 1.757 179.423 177.584 0.137 0.000 1.301 74 A CA -0.239 51.863 52.037 0.109 0.000 0.935 74 A CB 0.019 19.098 19.000 0.132 0.000 1.093 74 A HN 0.521 nan 8.150 nan 0.000 0.519 75 R N 0.223 120.786 120.500 0.104 0.000 2.075 75 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 75 R C 0.071 176.451 176.300 0.133 0.000 1.126 75 R CA 1.395 57.562 56.100 0.111 0.000 0.963 75 R CB -0.052 30.292 30.300 0.073 0.000 0.858 75 R HN 0.287 nan 8.270 nan 0.000 0.435 76 D N 0.484 120.938 120.400 0.090 0.000 2.370 76 D HA 0.061 4.701 4.640 -0.000 0.000 0.230 76 D C -0.449 175.864 176.300 0.021 0.000 1.143 76 D CA 0.103 54.140 54.000 0.061 0.000 0.834 76 D CB 0.229 41.046 40.800 0.027 0.000 0.944 76 D HN -0.111 nan 8.370 nan 0.000 0.504 77 V N 2.846 122.792 119.914 0.053 0.000 2.540 77 V HA -0.010 4.110 4.120 -0.000 0.000 0.297 77 V C 1.231 177.140 176.094 -0.308 0.000 1.024 77 V CA 0.454 62.689 62.300 -0.108 0.000 1.105 77 V CB 0.605 32.410 31.823 -0.030 0.000 0.938 77 V HN 0.349 nan 8.190 nan 0.000 0.482 78 N N 3.398 121.798 118.700 -0.499 0.000 2.036 78 N HA 0.063 4.803 4.740 -0.000 0.000 0.228 78 N C -0.513 174.382 175.510 -1.025 0.000 1.368 78 N CA -0.006 52.691 53.050 -0.588 0.000 0.846 78 N CB 0.862 39.213 38.487 -0.226 0.000 1.145 78 N HN 0.421 nan 8.380 nan 0.000 0.502 79 V N 0.728 120.007 119.914 -1.059 0.000 2.769 79 V HA 0.640 4.760 4.120 -0.000 0.000 0.312 79 V C -1.170 174.295 176.094 -1.048 0.000 1.061 79 V CA -0.756 60.966 62.300 -0.964 0.000 0.931 79 V CB 1.468 33.052 31.823 -0.399 0.000 1.010 79 V HN 0.024 nan 8.190 nan 0.000 0.433 80 F N 4.229 124.111 119.950 -0.113 0.000 2.814 80 F HA 0.475 5.002 4.527 -0.000 0.000 0.326 80 F C 0.199 175.986 175.800 -0.022 0.000 1.159 80 F CA -0.381 57.567 58.000 -0.087 0.000 1.234 80 F CB 0.639 39.582 39.000 -0.094 0.000 1.016 80 F HN 0.481 nan 8.300 nan 0.000 0.510 81 C N 1.830 121.167 119.300 0.063 0.000 2.396 81 C HA 0.865 5.325 4.460 -0.000 0.000 0.321 81 C C 0.073 175.119 174.990 0.094 0.000 1.233 81 C CA -0.482 58.578 59.018 0.071 0.000 1.440 81 C CB -0.170 27.560 27.740 -0.017 0.000 2.110 81 C HN 0.450 nan 8.230 nan 0.000 0.473 82 A N 8.846 131.757 122.820 0.152 0.000 2.316 82 A HA 0.667 4.987 4.320 -0.000 0.000 0.311 82 A C -2.377 175.351 177.584 0.241 0.000 1.339 82 A CA -1.046 51.085 52.037 0.157 0.000 0.960 82 A CB 0.043 19.120 19.000 0.128 0.000 1.152 82 A HN 0.805 nan 8.150 nan 0.000 0.547 83 P HA 0.004 nan 4.420 nan 0.000 0.274 83 P C 0.430 177.880 177.300 0.251 0.000 1.231 83 P CA -0.139 63.161 63.100 0.333 0.000 0.790 83 P CB 0.668 32.488 31.700 0.200 0.000 0.951 84 Y N 2.478 122.864 120.300 0.143 0.000 2.096 84 Y HA -0.345 4.205 4.550 -0.000 0.000 0.278 84 Y C 1.871 177.771 175.900 0.001 0.000 1.192 84 Y CA 2.383 60.467 58.100 -0.027 0.000 1.143 84 Y CB -0.736 37.692 38.460 -0.052 0.000 0.963 84 Y HN 0.298 nan 8.280 nan 0.000 0.505 85 D N -0.160 120.323 120.400 0.138 0.000 2.182 85 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 85 D C 2.035 178.302 176.300 -0.055 0.000 0.986 85 D CA 1.428 55.449 54.000 0.036 0.000 0.847 85 D CB -0.201 40.657 40.800 0.096 0.000 0.942 85 D HN 0.388 nan 8.370 nan 0.000 0.467 86 L N -0.435 120.771 121.223 -0.029 0.000 2.130 86 L HA -0.057 4.283 4.340 -0.000 0.000 0.200 86 L C 2.466 179.288 176.870 -0.080 0.000 1.075 86 L CA 0.459 55.283 54.840 -0.027 0.000 0.768 86 L CB -0.321 41.756 42.059 0.030 0.000 0.933 86 L HN -0.139 nan 8.230 nan 0.000 0.451 87 V N 0.883 120.732 119.914 -0.109 0.000 2.324 87 V HA -0.364 3.756 4.120 -0.000 0.000 0.250 87 V C 2.502 178.460 176.094 -0.226 0.000 1.060 87 V CA 2.278 64.486 62.300 -0.154 0.000 1.042 87 V CB -1.083 30.639 31.823 -0.168 0.000 0.650 87 V HN 0.623 nan 8.190 nan 0.000 0.450 88 K N 1.342 121.527 120.400 -0.358 0.000 2.209 88 K HA -0.192 4.127 4.320 -0.000 0.000 0.204 88 K C 1.868 178.351 176.600 -0.195 0.000 1.048 88 K CA 1.909 57.970 56.287 -0.377 0.000 0.940 88 K CB -0.625 31.500 32.500 -0.624 0.000 0.729 88 K HN 0.612 nan 8.250 nan 0.000 0.451 89 T N -2.063 112.408 114.554 -0.138 0.000 3.081 89 T HA 0.116 4.466 4.350 -0.000 0.000 0.255 89 T C 0.722 175.397 174.700 -0.042 0.000 1.113 89 T CA -0.115 61.945 62.100 -0.066 0.000 1.082 89 T CB -0.006 68.837 68.868 -0.042 0.000 0.939 89 T HN 0.289 nan 8.240 nan 0.000 0.506 90 M N 1.994 121.556 119.600 -0.063 0.000 2.356 90 M HA 0.320 4.800 4.480 -0.000 0.000 0.215 90 M C 0.471 176.710 176.300 -0.102 0.000 0.978 90 M CA -0.648 54.620 55.300 -0.052 0.000 0.972 90 M CB 1.322 33.926 32.600 0.007 0.000 2.529 90 M HN 0.149 nan 8.290 nan 0.000 0.447 91 R N 1.864 122.277 120.500 -0.146 0.000 2.285 91 R HA 0.061 4.401 4.340 -0.000 0.000 0.213 91 R C 1.013 177.135 176.300 -0.297 0.000 1.068 91 R CA 1.329 57.304 56.100 -0.209 0.000 1.004 91 R CB -0.382 29.794 30.300 -0.208 0.000 0.873 91 R HN 0.630 nan 8.270 nan 0.000 0.467 92 A N 1.241 123.889 122.820 -0.286 0.000 2.119 92 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 92 A C 2.026 179.344 177.584 -0.443 0.000 1.153 92 A CA 0.984 52.745 52.037 -0.460 0.000 0.692 92 A CB -0.280 18.549 19.000 -0.284 0.000 0.799 92 A HN 0.391 nan 8.150 nan 0.000 0.458 93 S N -0.053 115.489 115.700 -0.263 0.000 2.423 93 S HA -0.235 4.235 4.470 -0.000 0.000 0.238 93 S C 1.674 176.056 174.600 -0.362 0.000 1.028 93 S CA 1.502 59.541 58.200 -0.269 0.000 1.000 93 S CB -0.505 62.658 63.200 -0.061 0.000 0.797 93 S HN 0.619 nan 8.310 nan 0.000 0.487 94 I N 0.782 121.143 120.570 -0.349 0.000 2.502 94 I HA -0.157 4.013 4.170 -0.000 0.000 0.258 94 I C 1.511 177.506 176.117 -0.204 0.000 1.172 94 I CA 0.956 62.078 61.300 -0.296 0.000 1.430 94 I CB -0.357 37.389 38.000 -0.423 0.000 1.086 94 I HN 0.385 nan 8.210 nan 0.000 0.440 95 W N 0.518 121.546 121.300 -0.454 0.000 2.611 95 W HA 0.032 4.692 4.660 -0.000 0.000 0.251 95 W C 2.417 178.754 176.519 -0.303 0.000 1.265 95 W CA 0.884 57.991 57.345 -0.395 0.000 1.295 95 W CB -1.055 28.088 29.460 -0.528 0.000 1.129 95 W HN 0.308 nan 8.180 nan 0.000 0.630 96 A N -0.275 122.470 122.820 -0.125 0.000 1.968 96 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 96 A C 1.953 179.636 177.584 0.163 0.000 1.169 96 A CA 1.111 53.225 52.037 0.129 0.000 0.638 96 A CB -0.751 18.358 19.000 0.181 0.000 0.812 96 A HN 0.130 nan 8.150 nan 0.000 0.446 97 L N 0.378 121.672 121.223 0.118 0.000 1.978 97 L HA -0.164 4.176 4.340 -0.000 0.000 0.218 97 L C 2.455 179.415 176.870 0.150 0.000 1.075 97 L CA 2.557 57.475 54.840 0.130 0.000 0.767 97 L CB -1.288 40.832 42.059 0.101 0.000 0.890 97 L HN 0.336 nan 8.230 nan 0.000 0.434 98 G N -0.834 108.062 108.800 0.160 0.000 2.586 98 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 98 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 98 G C -0.608 174.373 174.900 0.134 0.000 1.216 98 G CA 1.103 46.288 45.100 0.141 0.000 0.786 98 G HN 0.406 nan 8.290 nan 0.000 0.583 99 P HA -0.037 nan 4.420 nan 0.000 0.215 99 P C 2.180 179.607 177.300 0.212 0.000 1.153 99 P CA 0.700 63.898 63.100 0.164 0.000 0.853 99 P CB -0.138 31.683 31.700 0.203 0.000 0.788 100 L N -1.089 120.294 121.223 0.267 0.000 2.012 100 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 100 L C 2.316 179.348 176.870 0.270 0.000 1.073 100 L CA 1.623 56.681 54.840 0.364 0.000 0.748 100 L CB -1.160 41.085 42.059 0.310 0.000 0.891 100 L HN -0.106 nan 8.230 nan 0.000 0.431 101 V N -0.172 119.836 119.914 0.158 0.000 2.427 101 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 101 V C 2.711 178.838 176.094 0.055 0.000 1.051 101 V CA 1.570 63.922 62.300 0.088 0.000 1.048 101 V CB -0.850 31.016 31.823 0.071 0.000 0.666 101 V HN 0.462 nan 8.190 nan 0.000 0.456 102 A N 0.148 123.001 122.820 0.056 0.000 1.902 102 A HA -0.240 4.079 4.320 -0.000 0.000 0.217 102 A C 2.432 179.988 177.584 -0.047 0.000 1.181 102 A CA 2.189 54.233 52.037 0.010 0.000 0.623 102 A CB -0.439 18.571 19.000 0.017 0.000 0.818 102 A HN 0.491 nan 8.150 nan 0.000 0.443 103 R N -2.274 118.179 120.500 -0.078 0.000 2.090 103 R HA 0.105 4.445 4.340 -0.000 0.000 0.219 103 R C 0.986 177.001 176.300 -0.475 0.000 1.100 103 R CA 1.106 57.012 56.100 -0.323 0.000 0.991 103 R CB -0.076 29.925 30.300 -0.497 0.000 0.893 103 R HN 0.468 nan 8.270 nan 0.000 0.443 104 F N -0.761 119.167 119.950 -0.036 0.000 2.678 104 F HA 0.390 4.917 4.527 -0.000 0.000 0.305 104 F C 1.368 177.045 175.800 -0.205 0.000 1.090 104 F CA 0.390 58.305 58.000 -0.142 0.000 1.272 104 F CB 1.227 40.058 39.000 -0.281 0.000 1.060 104 F HN 0.289 nan 8.300 nan 0.000 0.576 105 G N 1.061 109.858 108.800 -0.006 0.000 2.189 105 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 105 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 105 G C 0.087 174.954 174.900 -0.055 0.000 0.975 105 G CA 0.600 45.680 45.100 -0.033 0.000 0.644 105 G HN 0.521 nan 8.290 nan 0.000 0.537 106 Q N -1.745 118.000 119.800 -0.093 0.000 2.511 106 Q HA 0.703 5.043 4.340 -0.000 0.000 0.289 106 Q C -0.429 175.552 176.000 -0.032 0.000 1.021 106 Q CA -0.715 55.030 55.803 -0.097 0.000 0.785 106 Q CB 1.969 30.594 28.738 -0.187 0.000 1.472 106 Q HN 1.508 nan 8.270 nan 0.000 0.411 107 G N 0.942 109.766 108.800 0.039 0.000 2.716 107 G HA2 0.463 4.423 3.960 -0.000 0.000 0.299 107 G HA3 0.463 4.423 3.960 -0.000 0.000 0.299 107 G C -2.023 172.944 174.900 0.111 0.000 1.450 107 G CA -0.610 44.560 45.100 0.117 0.000 0.968 107 G HN 0.355 nan 8.290 nan 0.000 0.566 108 Q N 0.336 120.216 119.800 0.134 0.000 2.320 108 Q HA 0.637 4.977 4.340 -0.000 0.000 0.268 108 Q C -0.475 175.651 176.000 0.209 0.000 1.023 108 Q CA -0.620 55.267 55.803 0.141 0.000 0.744 108 Q CB 2.752 31.522 28.738 0.052 0.000 1.246 108 Q HN 0.472 nan 8.270 nan 0.000 0.462 109 V N 1.154 121.202 119.914 0.222 0.000 2.604 109 V HA 0.503 4.623 4.120 -0.000 0.000 0.305 109 V C -0.094 176.100 176.094 0.167 0.000 1.043 109 V CA -0.915 61.503 62.300 0.197 0.000 0.888 109 V CB 2.192 34.061 31.823 0.077 0.000 0.995 109 V HN 0.773 nan 8.190 nan 0.000 0.429 110 S N 4.646 120.381 115.700 0.058 0.000 2.537 110 S HA 0.184 4.654 4.470 -0.000 0.000 0.286 110 S C -0.135 174.363 174.600 -0.171 0.000 1.299 110 S CA -0.429 57.592 58.200 -0.298 0.000 1.067 110 S CB 0.124 63.124 63.200 -0.335 0.000 0.864 110 S HN 0.603 nan 8.310 nan 0.000 0.494 111 L N 7.426 128.550 121.223 -0.164 0.000 2.433 111 L HA 0.352 4.692 4.340 -0.000 0.000 0.275 111 L C -2.089 174.713 176.870 -0.112 0.000 1.128 111 L CA -1.391 53.382 54.840 -0.111 0.000 0.875 111 L CB 0.203 42.217 42.059 -0.075 0.000 1.171 111 L HN 0.553 nan 8.230 nan 0.000 0.463 112 P HA 0.141 nan 4.420 nan 0.000 0.265 112 P C 0.241 177.486 177.300 -0.092 0.000 1.193 112 P CA -0.090 62.928 63.100 -0.137 0.000 0.765 112 P CB 0.691 32.291 31.700 -0.167 0.000 0.823 113 G N 1.921 110.675 108.800 -0.077 0.000 2.666 113 G HA2 0.468 4.428 3.960 -0.000 0.000 0.207 113 G HA3 0.468 4.428 3.960 -0.000 0.000 0.207 113 G C 0.109 174.980 174.900 -0.048 0.000 1.481 113 G CA -0.382 44.694 45.100 -0.040 0.000 1.071 113 G HN 0.621 nan 8.290 nan 0.000 0.572 114 G N -1.891 106.890 108.800 -0.032 0.000 2.467 114 G HA2 0.405 4.364 3.960 -0.000 0.000 0.257 114 G HA3 0.405 4.364 3.960 -0.000 0.000 0.257 114 G C -0.612 174.257 174.900 -0.051 0.000 1.227 114 G CA -0.068 45.012 45.100 -0.034 0.000 0.835 114 G HN 0.616 nan 8.290 nan 0.000 0.556 115 C N 1.831 121.092 119.300 -0.065 0.000 2.456 115 C HA 0.571 5.031 4.460 -0.000 0.000 0.325 115 C C 2.108 177.046 174.990 -0.087 0.000 1.217 115 C CA 0.113 59.076 59.018 -0.091 0.000 1.687 115 C CB 0.880 28.536 27.740 -0.139 0.000 2.270 115 C HN 0.981 nan 8.230 nan 0.000 0.499 116 T N 1.566 116.067 114.554 -0.089 0.000 2.946 116 T HA -0.188 4.162 4.350 -0.000 0.000 0.271 116 T C 1.318 175.962 174.700 -0.094 0.000 1.104 116 T CA 1.815 63.869 62.100 -0.077 0.000 1.114 116 T CB -0.398 68.423 68.868 -0.078 0.000 0.867 116 T HN 0.839 nan 8.240 nan 0.000 0.513 117 I N -1.745 118.731 120.570 -0.157 0.000 3.578 117 I HA 0.556 4.726 4.170 -0.000 0.000 0.295 117 I C 0.933 176.983 176.117 -0.110 0.000 1.280 117 I CA 0.064 61.252 61.300 -0.188 0.000 1.347 117 I CB -0.356 37.419 38.000 -0.376 0.000 1.051 117 I HN 0.448 nan 8.210 nan 0.000 0.460 118 G N 1.111 109.871 108.800 -0.067 0.000 2.357 118 G HA2 0.332 4.292 3.960 -0.000 0.000 0.289 118 G HA3 0.332 4.292 3.960 -0.000 0.000 0.289 118 G C -1.046 173.876 174.900 0.035 0.000 1.302 118 G CA -0.439 44.675 45.100 0.023 0.000 0.936 118 G HN 0.496 nan 8.290 nan 0.000 0.513 119 A N -0.054 122.807 122.820 0.069 0.000 2.492 119 A HA 0.629 4.949 4.320 -0.000 0.000 0.254 119 A C 0.791 178.425 177.584 0.084 0.000 1.091 119 A CA 0.410 52.480 52.037 0.056 0.000 0.768 119 A CB 0.055 19.085 19.000 0.050 0.000 1.028 119 A HN 0.641 nan 8.150 nan 0.000 0.498 120 R N 2.855 123.381 120.500 0.044 0.000 2.701 120 R HA 0.209 4.549 4.340 -0.000 0.000 0.281 120 R C -2.643 173.662 176.300 0.009 0.000 1.367 120 R CA -1.052 55.078 56.100 0.051 0.000 1.510 120 R CB 0.643 30.952 30.300 0.015 0.000 1.306 120 R HN 0.664 nan 8.270 nan 0.000 0.682 121 P HA 0.045 nan 4.420 nan 0.000 0.271 121 P C 0.672 177.978 177.300 0.010 0.000 1.233 121 P CA -0.061 63.041 63.100 0.004 0.000 0.789 121 P CB 1.063 32.774 31.700 0.018 0.000 0.951 122 V N -2.642 117.268 119.914 -0.007 0.000 2.988 122 V HA 0.095 4.214 4.120 -0.000 0.000 0.356 122 V C 1.286 177.438 176.094 0.097 0.000 1.380 122 V CA 0.041 62.353 62.300 0.020 0.000 1.184 122 V CB -0.428 31.259 31.823 -0.227 0.000 1.204 122 V HN 0.528 nan 8.190 nan 0.000 0.530 123 D N 1.455 121.897 120.400 0.071 0.000 2.133 123 D HA -0.281 4.359 4.640 -0.000 0.000 0.195 123 D C 1.741 178.088 176.300 0.078 0.000 0.997 123 D CA 1.802 55.839 54.000 0.061 0.000 0.840 123 D CB -0.087 40.735 40.800 0.037 0.000 0.947 123 D HN 0.548 nan 8.370 nan 0.000 0.452 124 L N -0.055 121.223 121.223 0.092 0.000 2.141 124 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 124 L C 2.851 179.747 176.870 0.043 0.000 1.094 124 L CA 0.976 55.841 54.840 0.043 0.000 0.763 124 L CB -0.634 41.425 42.059 -0.001 0.000 0.908 124 L HN 0.138 nan 8.230 nan 0.000 0.437 125 H N -0.007 119.073 119.070 0.016 0.000 2.293 125 H HA -0.143 4.413 4.556 -0.000 0.000 0.300 125 H C 2.456 177.800 175.328 0.027 0.000 1.082 125 H CA 1.789 57.855 56.048 0.029 0.000 1.308 125 H CB 0.034 29.808 29.762 0.019 0.000 1.375 125 H HN 0.305 nan 8.280 nan 0.000 0.495 126 I N 0.356 121.024 120.570 0.164 0.000 2.127 126 I HA -0.300 3.869 4.170 -0.000 0.000 0.241 126 I C 2.943 179.099 176.117 0.064 0.000 1.075 126 I CA 1.346 62.701 61.300 0.092 0.000 1.334 126 I CB -0.339 37.699 38.000 0.064 0.000 1.040 126 I HN 0.174 nan 8.210 nan 0.000 0.405 127 S N 0.883 116.614 115.700 0.051 0.000 2.370 127 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 127 S C 2.136 176.749 174.600 0.022 0.000 1.033 127 S CA 1.756 59.974 58.200 0.030 0.000 1.011 127 S CB -0.810 62.402 63.200 0.019 0.000 0.852 127 S HN 0.563 nan 8.310 nan 0.000 0.457 128 G N 1.339 110.152 108.800 0.022 0.000 2.418 128 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 128 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.217 128 G C 1.472 176.386 174.900 0.024 0.000 1.158 128 G CA 0.937 46.044 45.100 0.011 0.000 0.771 128 G HN 0.530 nan 8.290 nan 0.000 0.545 129 L N -0.112 121.136 121.223 0.042 0.000 2.109 129 L HA 0.005 4.345 4.340 -0.000 0.000 0.207 129 L C 2.869 179.759 176.870 0.034 0.000 1.086 129 L CA 0.964 55.831 54.840 0.045 0.000 0.760 129 L CB -0.357 41.740 42.059 0.064 0.000 0.910 129 L HN 0.290 nan 8.230 nan 0.000 0.437 130 E N -0.267 119.952 120.200 0.032 0.000 2.110 130 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 130 E C 2.145 178.756 176.600 0.019 0.000 0.988 130 E CA 0.969 57.384 56.400 0.025 0.000 0.804 130 E CB -0.014 29.701 29.700 0.023 0.000 0.745 130 E HN 0.460 nan 8.360 nan 0.000 0.458 131 Q N 0.155 119.965 119.800 0.017 0.000 2.224 131 Q HA -0.039 4.301 4.340 -0.000 0.000 0.203 131 Q C 1.644 177.653 176.000 0.015 0.000 0.970 131 Q CA 0.575 56.386 55.803 0.012 0.000 0.865 131 Q CB 0.220 28.961 28.738 0.005 0.000 0.922 131 Q HN 0.277 nan 8.270 nan 0.000 0.445 132 L N -1.189 120.044 121.223 0.017 0.000 2.612 132 L HA 0.155 4.495 4.340 -0.000 0.000 0.230 132 L C 0.962 177.842 176.870 0.015 0.000 1.140 132 L CA 0.535 55.386 54.840 0.017 0.000 0.896 132 L CB 0.212 42.283 42.059 0.019 0.000 1.065 132 L HN 0.469 nan 8.230 nan 0.000 0.447 133 G N -0.406 108.403 108.800 0.015 0.000 2.179 133 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 133 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 133 G C 0.405 175.313 174.900 0.014 0.000 0.990 133 G CA -0.077 45.031 45.100 0.013 0.000 0.646 133 G HN 0.451 nan 8.290 nan 0.000 0.517 134 A N 0.177 123.008 122.820 0.019 0.000 2.386 134 A HA 0.695 5.015 4.320 -0.000 0.000 0.248 134 A C 0.593 178.190 177.584 0.021 0.000 1.082 134 A CA 1.125 53.174 52.037 0.021 0.000 0.789 134 A CB 0.458 19.476 19.000 0.030 0.000 1.025 134 A HN 0.725 nan 8.150 nan 0.000 0.490 135 T N 2.236 116.802 114.554 0.020 0.000 2.795 135 T HA 0.576 4.926 4.350 -0.000 0.000 0.282 135 T C -0.301 174.415 174.700 0.026 0.000 0.980 135 T CA 0.132 62.244 62.100 0.020 0.000 1.012 135 T CB 0.323 69.201 68.868 0.015 0.000 0.936 135 T HN 0.415 nan 8.240 nan 0.000 0.457 136 I N 3.719 124.305 120.570 0.028 0.000 2.499 136 I HA 0.481 4.651 4.170 -0.000 0.000 0.288 136 I C -0.258 175.879 176.117 0.033 0.000 1.048 136 I CA -0.980 60.340 61.300 0.034 0.000 1.062 136 I CB 2.031 40.054 38.000 0.039 0.000 1.238 136 I HN 0.567 nan 8.210 nan 0.000 0.426 137 K N 5.979 126.402 120.400 0.038 0.000 2.435 137 K HA 0.725 5.045 4.320 -0.000 0.000 0.251 137 K C -1.889 174.740 176.600 0.049 0.000 0.954 137 K CA -0.898 55.412 56.287 0.037 0.000 0.820 137 K CB 2.842 35.362 32.500 0.033 0.000 1.292 137 K HN 0.416 nan 8.250 nan 0.000 0.436 138 L N 2.569 123.819 121.223 0.045 0.000 2.294 138 L HA 0.389 4.729 4.340 -0.000 0.000 0.283 138 L C -1.368 175.537 176.870 0.058 0.000 1.015 138 L CA 0.197 55.069 54.840 0.054 0.000 0.831 138 L CB 0.954 43.034 42.059 0.035 0.000 1.217 138 L HN 0.854 nan 8.230 nan 0.000 0.420 139 E N 2.824 123.077 120.200 0.088 0.000 2.314 139 E HA 0.406 4.756 4.350 -0.000 0.000 0.272 139 E C -0.399 176.286 176.600 0.141 0.000 0.884 139 E CA -0.763 55.688 56.400 0.086 0.000 0.753 139 E CB 1.390 31.128 29.700 0.063 0.000 1.213 139 E HN 0.567 nan 8.360 nan 0.000 0.432 140 E N 0.668 120.931 120.200 0.106 0.000 2.883 140 E HA -0.298 4.052 4.350 -0.000 0.000 0.271 140 E C 0.728 177.399 176.600 0.119 0.000 1.049 140 E CA 0.951 57.429 56.400 0.130 0.000 0.817 140 E CB -1.416 28.396 29.700 0.187 0.000 1.407 140 E HN 1.148 nan 8.360 nan 0.000 0.434 141 G N -1.527 107.297 108.800 0.039 0.000 2.179 141 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.260 141 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.260 141 G C -0.239 174.551 174.900 -0.183 0.000 0.977 141 G CA 0.469 45.520 45.100 -0.081 0.000 0.641 141 G HN 0.321 nan 8.290 nan 0.000 0.533 142 Y N -0.430 119.888 120.300 0.031 0.000 2.330 142 Y HA 0.503 5.053 4.550 -0.000 0.000 0.336 142 Y C 0.721 176.636 175.900 0.025 0.000 1.036 142 Y CA -0.416 57.705 58.100 0.035 0.000 1.125 142 Y CB 2.024 40.507 38.460 0.038 0.000 1.194 142 Y HN 0.340 nan 8.280 nan 0.000 0.469 143 V N 5.169 125.167 119.914 0.140 0.000 2.405 143 V HA 0.300 4.420 4.120 -0.000 0.000 0.264 143 V C -0.635 175.533 176.094 0.123 0.000 1.048 143 V CA -0.551 61.808 62.300 0.099 0.000 0.966 143 V CB -0.007 31.846 31.823 0.050 0.000 1.015 143 V HN 0.705 nan 8.190 nan 0.000 0.477 144 K N 6.411 126.872 120.400 0.101 0.000 2.293 144 K HA 0.748 5.068 4.320 -0.000 0.000 0.267 144 K C -0.273 176.362 176.600 0.059 0.000 1.010 144 K CA -0.220 56.116 56.287 0.083 0.000 0.875 144 K CB 1.888 34.429 32.500 0.068 0.000 1.106 144 K HN 0.886 nan 8.250 nan 0.000 0.450 145 A N 1.944 124.799 122.820 0.058 0.000 2.340 145 A HA 0.751 5.070 4.320 -0.000 0.000 0.331 145 A C -0.571 177.031 177.584 0.030 0.000 1.140 145 A CA -0.608 51.457 52.037 0.046 0.000 0.801 145 A CB 1.116 20.150 19.000 0.058 0.000 1.234 145 A HN 0.693 nan 8.150 nan 0.000 0.469 146 S N -0.364 115.348 115.700 0.020 0.000 2.547 146 S HA 0.702 5.172 4.470 -0.000 0.000 0.270 146 S C -1.359 173.244 174.600 0.005 0.000 1.150 146 S CA -0.565 57.638 58.200 0.004 0.000 0.850 146 S CB 1.196 64.396 63.200 -0.001 0.000 1.118 146 S HN 2.029 nan 8.310 nan 0.000 0.461 147 V N 1.079 120.990 119.914 -0.004 0.000 2.851 147 V HA 0.525 4.645 4.120 -0.000 0.000 0.307 147 V C -1.635 174.454 176.094 -0.009 0.000 1.129 147 V CA -0.564 61.735 62.300 -0.003 0.000 0.932 147 V CB 2.007 33.831 31.823 0.000 0.000 1.024 147 V HN 1.109 nan 8.190 nan 0.000 0.426 148 D N 4.948 125.344 120.400 -0.007 0.000 2.455 148 D HA 0.540 5.180 4.640 -0.000 0.000 0.234 148 D C 0.691 176.985 176.300 -0.010 0.000 1.224 148 D CA 2.097 56.092 54.000 -0.008 0.000 0.999 148 D CB 0.163 40.960 40.800 -0.004 0.000 1.072 148 D HN 1.300 nan 8.370 nan 0.000 0.514 149 G N 3.811 112.602 108.800 -0.014 0.000 2.662 149 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.236 149 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.236 149 G C -0.257 174.630 174.900 -0.021 0.000 1.212 149 G CA -0.098 44.992 45.100 -0.017 0.000 0.968 149 G HN 0.712 nan 8.290 nan 0.000 0.576 150 R N -0.429 120.059 120.500 -0.019 0.000 2.939 150 R HA 0.839 5.179 4.340 -0.000 0.000 0.254 150 R C 0.027 176.320 176.300 -0.011 0.000 1.123 150 R CA -1.099 54.989 56.100 -0.020 0.000 1.020 150 R CB 1.013 31.296 30.300 -0.028 0.000 1.206 150 R HN 0.509 nan 8.270 nan 0.000 0.491 151 L N 0.731 121.948 121.223 -0.009 0.000 2.466 151 L HA 0.331 4.671 4.340 -0.000 0.000 0.257 151 L C 0.209 177.077 176.870 -0.002 0.000 1.189 151 L CA -0.294 54.545 54.840 -0.001 0.000 0.813 151 L CB 0.352 42.414 42.059 0.004 0.000 1.118 151 L HN 0.448 nan 8.230 nan 0.000 0.471 152 K N 0.548 120.950 120.400 0.003 0.000 2.292 152 K HA 0.372 4.692 4.320 -0.000 0.000 0.257 152 K C -0.154 176.451 176.600 0.008 0.000 0.940 152 K CA -0.672 55.617 56.287 0.004 0.000 0.811 152 K CB 1.840 34.343 32.500 0.005 0.000 1.120 152 K HN 0.752 nan 8.250 nan 0.000 0.428 153 G N 1.269 110.073 108.800 0.007 0.000 2.464 153 G HA2 0.322 4.282 3.960 -0.000 0.000 0.231 153 G HA3 0.322 4.282 3.960 -0.000 0.000 0.231 153 G C -0.512 174.403 174.900 0.024 0.000 1.267 153 G CA -0.039 45.069 45.100 0.014 0.000 0.863 153 G HN 0.633 nan 8.290 nan 0.000 0.559 154 A N 1.394 124.237 122.820 0.038 0.000 2.602 154 A HA 0.658 4.977 4.320 -0.000 0.000 0.290 154 A C -0.841 176.809 177.584 0.110 0.000 1.114 154 A CA -0.710 51.363 52.037 0.060 0.000 0.683 154 A CB 1.152 20.177 19.000 0.042 0.000 1.281 154 A HN 0.922 nan 8.150 nan 0.000 0.416 155 H N 1.129 120.198 119.070 -0.002 0.000 2.690 155 H HA 0.576 5.132 4.556 -0.000 0.000 0.289 155 H C -1.161 174.166 175.328 -0.002 0.000 1.089 155 H CA -0.227 55.819 56.048 -0.002 0.000 1.299 155 H CB 0.200 29.961 29.762 -0.002 0.000 1.405 155 H HN 0.450 nan 8.280 nan 0.000 0.463 156 I N 6.369 126.857 120.570 -0.136 0.000 2.382 156 I HA 0.143 4.313 4.170 -0.000 0.000 0.286 156 I C -0.452 175.534 176.117 -0.217 0.000 1.002 156 I CA -0.933 60.278 61.300 -0.148 0.000 1.135 156 I CB 1.903 39.869 38.000 -0.058 0.000 1.288 156 I HN 0.271 nan 8.210 nan 0.000 0.448 157 V N 6.842 126.621 119.914 -0.224 0.000 2.350 157 V HA 0.345 4.465 4.120 -0.000 0.000 0.276 157 V C 0.487 176.522 176.094 -0.098 0.000 1.028 157 V CA -0.535 61.657 62.300 -0.179 0.000 0.860 157 V CB 1.306 33.016 31.823 -0.188 0.000 0.990 157 V HN 0.646 nan 8.190 nan 0.000 0.453 158 M N 2.991 122.547 119.600 -0.073 0.000 2.188 158 M HA 0.199 4.679 4.480 -0.000 0.000 0.354 158 M C 1.115 177.392 176.300 -0.040 0.000 1.342 158 M CA -0.090 55.179 55.300 -0.051 0.000 1.117 158 M CB 0.650 33.223 32.600 -0.044 0.000 1.670 158 M HN 0.612 nan 8.290 nan 0.000 0.466 159 D N 2.992 123.373 120.400 -0.032 0.000 2.097 159 D HA -0.079 4.561 4.640 -0.000 0.000 0.195 159 D C 0.315 176.602 176.300 -0.021 0.000 0.989 159 D CA 1.467 55.453 54.000 -0.024 0.000 0.827 159 D CB 0.562 41.352 40.800 -0.017 0.000 0.966 159 D HN 0.619 nan 8.370 nan 0.000 0.456 160 K N -1.044 119.343 120.400 -0.022 0.000 2.439 160 K HA 0.489 4.809 4.320 -0.000 0.000 0.260 160 K C -0.790 175.795 176.600 -0.026 0.000 1.032 160 K CA -0.893 55.380 56.287 -0.023 0.000 0.882 160 K CB 1.937 34.423 32.500 -0.023 0.000 1.420 160 K HN -0.342 nan 8.250 nan 0.000 0.455 161 V N 1.452 121.349 119.914 -0.027 0.000 2.455 161 V HA 0.211 4.331 4.120 -0.000 0.000 0.273 161 V C -0.346 175.731 176.094 -0.028 0.000 1.045 161 V CA 0.033 62.319 62.300 -0.024 0.000 0.976 161 V CB 0.771 32.582 31.823 -0.020 0.000 0.993 161 V HN 0.787 nan 8.190 nan 0.000 0.475 162 S N 4.143 119.832 115.700 -0.020 0.000 2.736 162 S HA 0.362 4.832 4.470 -0.000 0.000 0.285 162 S C 0.472 175.082 174.600 0.017 0.000 1.163 162 S CA -0.602 57.591 58.200 -0.011 0.000 1.025 162 S CB 1.820 65.004 63.200 -0.025 0.000 1.030 162 S HN 0.312 nan 8.310 nan 0.000 0.486 163 V N 5.357 125.305 119.914 0.056 0.000 2.295 163 V HA -0.044 4.076 4.120 -0.000 0.000 0.246 163 V C 2.701 178.927 176.094 0.218 0.000 1.049 163 V CA 2.641 65.014 62.300 0.122 0.000 1.024 163 V CB -1.236 30.677 31.823 0.149 0.000 0.648 163 V HN 0.943 nan 8.190 nan 0.000 0.447 164 G N -0.512 108.420 108.800 0.220 0.000 2.421 164 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 164 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 164 G C 1.754 176.685 174.900 0.053 0.000 1.171 164 G CA 1.099 46.400 45.100 0.336 0.000 0.775 164 G HN 0.621 nan 8.290 nan 0.000 0.543 165 A N -0.007 122.548 122.820 -0.441 0.000 1.930 165 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 165 A C 2.510 179.984 177.584 -0.185 0.000 1.175 165 A CA 2.316 53.962 52.037 -0.652 0.000 0.627 165 A CB -0.876 17.827 19.000 -0.495 0.000 0.815 165 A HN 0.288 nan 8.150 nan 0.000 0.443 166 T N -0.238 114.276 114.554 -0.068 0.000 2.684 166 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 166 T C 1.873 176.574 174.700 0.002 0.000 1.036 166 T CA 1.732 63.820 62.100 -0.020 0.000 1.148 166 T CB -0.422 68.448 68.868 0.003 0.000 0.863 166 T HN 0.148 nan 8.240 nan 0.000 0.436 167 V N 1.235 121.182 119.914 0.054 0.000 2.343 167 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 167 V C 2.784 178.875 176.094 -0.004 0.000 1.051 167 V CA 2.012 64.302 62.300 -0.017 0.000 1.036 167 V CB -1.071 30.676 31.823 -0.127 0.000 0.654 167 V HN 0.530 nan 8.190 nan 0.000 0.451 168 T N 0.344 114.981 114.554 0.138 0.000 2.652 168 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 168 T C 1.771 176.512 174.700 0.068 0.000 1.039 168 T CA 2.107 64.308 62.100 0.168 0.000 1.153 168 T CB -0.294 68.725 68.868 0.251 0.000 0.863 168 T HN 0.361 nan 8.240 nan 0.000 0.428 169 I N 0.527 121.110 120.570 0.021 0.000 2.202 169 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 169 I C 2.582 178.701 176.117 0.005 0.000 1.091 169 I CA 1.147 62.453 61.300 0.011 0.000 1.368 169 I CB -0.380 37.615 38.000 -0.009 0.000 1.058 169 I HN 0.246 nan 8.210 nan 0.000 0.410 170 M N 0.192 119.788 119.600 -0.007 0.000 2.080 170 M HA -0.283 4.197 4.480 -0.000 0.000 0.260 170 M C 2.482 178.772 176.300 -0.016 0.000 1.068 170 M CA 2.051 57.342 55.300 -0.015 0.000 1.109 170 M CB -0.223 32.362 32.600 -0.026 0.000 1.342 170 M HN 0.371 nan 8.290 nan 0.000 0.405 171 C N 0.306 119.595 119.300 -0.018 0.000 2.446 171 C HA -0.030 4.429 4.460 -0.000 0.000 0.277 171 C C 2.996 177.991 174.990 0.008 0.000 1.275 171 C CA 0.962 59.973 59.018 -0.011 0.000 1.727 171 C CB -1.513 26.218 27.740 -0.016 0.000 2.010 171 C HN 0.746 nan 8.230 nan 0.000 0.486 172 A N 0.493 123.326 122.820 0.022 0.000 1.933 172 A HA 0.089 4.409 4.320 -0.000 0.000 0.218 172 A C 2.326 179.916 177.584 0.010 0.000 1.175 172 A CA 1.920 53.974 52.037 0.028 0.000 0.628 172 A CB -0.769 18.256 19.000 0.042 0.000 0.814 172 A HN 0.572 nan 8.150 nan 0.000 0.444 173 A N -0.105 122.718 122.820 0.005 0.000 2.015 173 A HA -0.055 4.264 4.320 -0.000 0.000 0.219 173 A C 2.310 179.888 177.584 -0.011 0.000 1.163 173 A CA 2.174 54.210 52.037 -0.001 0.000 0.646 173 A CB -1.394 17.607 19.000 0.001 0.000 0.806 173 A HN 0.819 nan 8.150 nan 0.000 0.448 174 T N -2.149 112.395 114.554 -0.017 0.000 2.946 174 T HA -0.028 4.322 4.350 -0.000 0.000 0.271 174 T C 1.053 175.733 174.700 -0.033 0.000 1.104 174 T CA 1.475 63.557 62.100 -0.030 0.000 1.114 174 T CB -0.358 68.485 68.868 -0.041 0.000 0.867 174 T HN 0.325 nan 8.240 nan 0.000 0.513 175 L N 0.228 121.434 121.223 -0.029 0.000 3.168 175 L HA 0.592 4.932 4.340 -0.000 0.000 0.277 175 L C 0.958 177.810 176.870 -0.030 0.000 1.245 175 L CA -0.621 54.197 54.840 -0.037 0.000 1.035 175 L CB 0.035 42.065 42.059 -0.049 0.000 1.399 175 L HN 0.279 nan 8.230 nan 0.000 0.580 176 A N -0.058 122.749 122.820 -0.020 0.000 2.252 176 A HA 0.466 4.786 4.320 -0.000 0.000 0.305 176 A C -0.068 177.507 177.584 -0.015 0.000 1.097 176 A CA -0.373 51.656 52.037 -0.014 0.000 0.849 176 A CB 0.547 19.544 19.000 -0.006 0.000 1.142 176 A HN 0.253 nan 8.150 nan 0.000 0.499 177 E N 0.130 120.323 120.200 -0.012 0.000 2.129 177 E HA 0.441 4.790 4.350 -0.000 0.000 0.283 177 E C 0.689 177.284 176.600 -0.008 0.000 1.080 177 E CA 0.961 57.354 56.400 -0.011 0.000 0.867 177 E CB 0.451 30.145 29.700 -0.010 0.000 1.056 177 E HN 1.238 nan 8.360 nan 0.000 0.404 178 G N 2.882 111.676 108.800 -0.010 0.000 2.508 178 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 178 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 178 G C -0.359 174.537 174.900 -0.006 0.000 1.287 178 G CA -0.636 44.459 45.100 -0.008 0.000 0.916 178 G HN 0.460 nan 8.290 nan 0.000 0.574 179 T N 1.213 115.765 114.554 -0.004 0.000 2.794 179 T HA 0.678 5.028 4.350 -0.000 0.000 0.280 179 T C 0.011 174.718 174.700 0.012 0.000 0.987 179 T CA 0.335 62.434 62.100 -0.001 0.000 0.993 179 T CB 1.519 70.383 68.868 -0.008 0.000 0.939 179 T HN 0.732 nan 8.240 nan 0.000 0.449 180 T N 3.464 118.029 114.554 0.017 0.000 2.855 180 T HA 0.661 5.011 4.350 -0.000 0.000 0.281 180 T C -0.504 174.227 174.700 0.052 0.000 1.007 180 T CA -0.431 61.690 62.100 0.035 0.000 1.009 180 T CB 0.686 69.568 68.868 0.024 0.000 0.983 180 T HN 0.311 nan 8.240 nan 0.000 0.455 181 I N 3.034 123.665 120.570 0.102 0.000 2.466 181 I HA 0.444 4.614 4.170 -0.000 0.000 0.289 181 I C -0.547 175.636 176.117 0.111 0.000 1.026 181 I CA -0.412 60.971 61.300 0.137 0.000 1.078 181 I CB 1.682 39.829 38.000 0.245 0.000 1.249 181 I HN 0.540 nan 8.210 nan 0.000 0.429 182 I N 5.964 126.567 120.570 0.055 0.000 2.328 182 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 182 I C -0.176 175.944 176.117 0.005 0.000 1.012 182 I CA -0.626 60.679 61.300 0.009 0.000 1.195 182 I CB 0.672 38.671 38.000 -0.000 0.000 1.350 182 I HN 0.426 nan 8.210 nan 0.000 0.464 183 E N 5.956 126.134 120.200 -0.037 0.000 2.216 183 E HA 0.169 4.518 4.350 -0.000 0.000 0.279 183 E C 0.118 176.698 176.600 -0.033 0.000 0.997 183 E CA -0.400 55.983 56.400 -0.029 0.000 0.817 183 E CB 1.553 31.211 29.700 -0.070 0.000 1.096 183 E HN 0.666 nan 8.360 nan 0.000 0.393 184 N N 0.560 119.251 118.700 -0.014 0.000 2.776 184 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 184 N C -0.523 174.980 175.510 -0.012 0.000 1.111 184 N CA 0.192 53.233 53.050 -0.014 0.000 0.711 184 N CB -0.416 38.058 38.487 -0.023 0.000 1.065 184 N HN 0.565 nan 8.380 nan 0.000 0.556 185 A N 0.345 123.162 122.820 -0.005 0.000 2.448 185 A HA 0.599 4.919 4.320 -0.000 0.000 0.239 185 A C 0.864 178.453 177.584 0.008 0.000 1.080 185 A CA 0.512 52.547 52.037 -0.002 0.000 0.779 185 A CB 0.458 19.460 19.000 0.003 0.000 1.026 185 A HN 0.593 nan 8.150 nan 0.000 0.499 186 A N 0.467 123.294 122.820 0.012 0.000 2.388 186 A HA 0.531 4.851 4.320 -0.000 0.000 0.257 186 A C 0.733 178.339 177.584 0.038 0.000 1.095 186 A CA -0.347 51.706 52.037 0.027 0.000 0.791 186 A CB 0.137 19.155 19.000 0.030 0.000 1.029 186 A HN 0.775 nan 8.150 nan 0.000 0.489 187 R N 0.338 120.878 120.500 0.066 0.000 2.432 187 R HA 0.165 4.505 4.340 -0.000 0.000 0.260 187 R C -0.459 175.899 176.300 0.096 0.000 0.935 187 R CA -0.113 56.043 56.100 0.094 0.000 1.080 187 R CB 0.141 30.517 30.300 0.126 0.000 1.155 187 R HN 0.779 nan 8.270 nan 0.000 0.531 188 E N 1.421 121.638 120.200 0.028 0.000 2.568 188 E HA -0.075 4.274 4.350 -0.000 0.000 0.262 188 E C -1.601 174.887 176.600 -0.185 0.000 0.961 188 E CA -0.829 55.486 56.400 -0.140 0.000 0.945 188 E CB 0.433 30.096 29.700 -0.062 0.000 0.924 188 E HN -0.049 nan 8.360 nan 0.000 0.467 189 P HA -0.200 nan 4.420 nan 0.000 0.217 189 P C 0.358 177.603 177.300 -0.092 0.000 1.151 189 P CA 1.292 64.278 63.100 -0.190 0.000 0.849 189 P CB 0.274 31.841 31.700 -0.221 0.000 0.787 190 E N -1.079 119.068 120.200 -0.088 0.000 2.204 190 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 190 E C 1.950 178.522 176.600 -0.046 0.000 0.989 190 E CA 0.700 57.073 56.400 -0.045 0.000 0.824 190 E CB -0.755 28.932 29.700 -0.021 0.000 0.756 190 E HN 0.300 nan 8.360 nan 0.000 0.477 191 I N -0.259 120.286 120.570 -0.041 0.000 2.353 191 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 191 I C 1.866 177.965 176.117 -0.031 0.000 1.119 191 I CA 0.493 61.770 61.300 -0.037 0.000 1.417 191 I CB -0.048 37.944 38.000 -0.014 0.000 1.078 191 I HN 0.028 nan 8.210 nan 0.000 0.421 192 V N 0.781 120.685 119.914 -0.017 0.000 2.307 192 V HA -0.313 3.807 4.120 -0.000 0.000 0.245 192 V C 2.150 178.257 176.094 0.021 0.000 1.045 192 V CA 2.182 64.485 62.300 0.004 0.000 1.024 192 V CB -0.569 31.261 31.823 0.012 0.000 0.651 192 V HN 0.370 nan 8.190 nan 0.000 0.449 193 D N -0.211 120.208 120.400 0.032 0.000 2.104 193 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 193 D C 2.278 178.563 176.300 -0.026 0.000 0.994 193 D CA 1.916 55.969 54.000 0.088 0.000 0.830 193 D CB -0.185 40.674 40.800 0.098 0.000 0.959 193 D HN 0.396 nan 8.370 nan 0.000 0.452 194 T N -0.316 114.198 114.554 -0.067 0.000 2.746 194 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 194 T C 1.916 176.584 174.700 -0.054 0.000 1.039 194 T CA 1.526 63.567 62.100 -0.097 0.000 1.142 194 T CB -0.471 68.312 68.868 -0.141 0.000 0.866 194 T HN 0.226 nan 8.240 nan 0.000 0.444 195 A N 2.438 125.229 122.820 -0.048 0.000 1.883 195 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 195 A C 2.236 179.787 177.584 -0.055 0.000 1.186 195 A CA 1.653 53.665 52.037 -0.042 0.000 0.624 195 A CB -0.683 18.303 19.000 -0.024 0.000 0.822 195 A HN 0.390 nan 8.150 nan 0.000 0.444 196 N N -1.002 117.679 118.700 -0.032 0.000 2.223 196 N HA -0.130 4.610 4.740 -0.000 0.000 0.185 196 N C 1.359 176.772 175.510 -0.163 0.000 1.016 196 N CA 1.456 54.508 53.050 0.003 0.000 0.863 196 N CB -0.619 37.979 38.487 0.185 0.000 0.983 196 N HN 0.583 nan 8.380 nan 0.000 0.429 197 F N 1.606 121.144 119.950 -0.687 0.000 2.102 197 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 197 F C 1.995 177.587 175.800 -0.346 0.000 1.105 197 F CA 1.044 58.530 58.000 -0.857 0.000 1.239 197 F CB -0.445 38.006 39.000 -0.916 0.000 0.991 197 F HN -0.076 nan 8.300 nan 0.000 0.474 198 L N 0.104 121.118 121.223 -0.349 0.000 2.042 198 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 198 L C 2.548 179.249 176.870 -0.282 0.000 1.076 198 L CA 1.614 56.248 54.840 -0.344 0.000 0.749 198 L CB -0.738 41.237 42.059 -0.140 0.000 0.893 198 L HN 0.227 nan 8.230 nan 0.000 0.432 199 I N -0.676 119.784 120.570 -0.183 0.000 2.286 199 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 199 I C 2.458 178.497 176.117 -0.131 0.000 1.115 199 I CA 1.424 62.653 61.300 -0.118 0.000 1.392 199 I CB -0.419 37.546 38.000 -0.057 0.000 1.065 199 I HN 0.246 nan 8.210 nan 0.000 0.418 200 T N 1.207 115.666 114.554 -0.159 0.000 2.803 200 T HA -0.140 4.209 4.350 -0.000 0.000 0.269 200 T C 1.714 176.303 174.700 -0.185 0.000 1.052 200 T CA 1.195 63.221 62.100 -0.124 0.000 1.136 200 T CB -0.221 68.613 68.868 -0.057 0.000 0.864 200 T HN 0.293 nan 8.240 nan 0.000 0.467 201 L N -0.064 120.972 121.223 -0.312 0.000 2.599 201 L HA 0.258 4.598 4.340 -0.000 0.000 0.230 201 L C 1.846 178.617 176.870 -0.165 0.000 1.141 201 L CA 0.452 55.129 54.840 -0.272 0.000 0.877 201 L CB -0.177 41.648 42.059 -0.390 0.000 1.009 201 L HN 0.491 nan 8.230 nan 0.000 0.447 202 G N -0.342 108.375 108.800 -0.139 0.000 2.154 202 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.186 202 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.186 202 G C 0.260 175.108 174.900 -0.087 0.000 1.000 202 G CA -0.177 44.867 45.100 -0.093 0.000 0.664 202 G HN 0.416 nan 8.290 nan 0.000 0.513 203 A N -0.097 122.659 122.820 -0.106 0.000 2.287 203 A HA 0.746 5.066 4.320 -0.000 0.000 0.273 203 A C 0.425 177.971 177.584 -0.063 0.000 1.091 203 A CA 0.054 52.041 52.037 -0.084 0.000 0.817 203 A CB 0.520 19.461 19.000 -0.098 0.000 1.069 203 A HN 0.356 nan 8.150 nan 0.000 0.492 204 K N 1.100 121.472 120.400 -0.047 0.000 2.473 204 K HA 0.558 4.878 4.320 -0.000 0.000 0.246 204 K C -1.513 175.070 176.600 -0.028 0.000 1.011 204 K CA 0.329 56.595 56.287 -0.034 0.000 0.984 204 K CB 0.996 33.480 32.500 -0.028 0.000 1.250 204 K HN 0.573 nan 8.250 nan 0.000 0.454 205 I N 1.571 122.125 120.570 -0.027 0.000 2.545 205 I HA 0.308 4.478 4.170 -0.000 0.000 0.292 205 I C -0.366 175.744 176.117 -0.011 0.000 1.040 205 I CA -0.651 60.637 61.300 -0.020 0.000 1.068 205 I CB 2.294 40.279 38.000 -0.025 0.000 1.251 205 I HN 0.518 nan 8.210 nan 0.000 0.424 206 S N 2.454 118.150 115.700 -0.006 0.000 2.546 206 S HA 0.821 5.291 4.470 -0.000 0.000 0.274 206 S C 0.176 174.778 174.600 0.004 0.000 1.121 206 S CA -0.014 58.186 58.200 -0.001 0.000 0.887 206 S CB 2.042 65.242 63.200 -0.001 0.000 1.094 206 S HN 1.306 nan 8.310 nan 0.000 0.474 207 G N 0.956 109.760 108.800 0.007 0.000 2.176 207 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.232 207 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.232 207 G C 0.096 175.004 174.900 0.013 0.000 0.986 207 G CA 0.023 45.129 45.100 0.011 0.000 0.643 207 G HN 1.265 nan 8.290 nan 0.000 0.522 208 Q N 0.419 120.226 119.800 0.010 0.000 2.286 208 Q HA 0.373 4.713 4.340 -0.000 0.000 0.290 208 Q C 1.195 177.207 176.000 0.020 0.000 1.049 208 Q CA 1.109 56.919 55.803 0.011 0.000 0.923 208 Q CB 0.753 29.495 28.738 0.006 0.000 1.183 208 Q HN 1.869 nan 8.270 nan 0.000 0.383 209 G N 2.075 110.891 108.800 0.026 0.000 2.175 209 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 209 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 209 G C 0.223 175.150 174.900 0.045 0.000 0.982 209 G CA 0.485 45.611 45.100 0.043 0.000 0.641 209 G HN 1.196 nan 8.290 nan 0.000 0.527 210 T N -2.215 112.358 114.554 0.031 0.000 2.927 210 T HA 0.567 4.917 4.350 -0.000 0.000 0.286 210 T C 0.993 175.707 174.700 0.023 0.000 1.040 210 T CA 0.631 62.746 62.100 0.026 0.000 1.010 210 T CB 1.744 70.624 68.868 0.020 0.000 1.177 210 T HN 0.178 nan 8.240 nan 0.000 0.546 211 D N -0.745 119.666 120.400 0.019 0.000 2.363 211 D HA -0.003 4.637 4.640 -0.000 0.000 0.220 211 D C 0.749 177.058 176.300 0.016 0.000 0.994 211 D CA 0.320 54.329 54.000 0.015 0.000 0.890 211 D CB -0.073 40.734 40.800 0.011 0.000 0.906 211 D HN 0.595 nan 8.370 nan 0.000 0.530 212 R N 0.444 120.956 120.500 0.020 0.000 2.435 212 R HA 0.511 4.851 4.340 -0.000 0.000 0.308 212 R C -1.272 175.042 176.300 0.024 0.000 0.975 212 R CA -0.552 55.564 56.100 0.027 0.000 0.867 212 R CB 0.672 30.993 30.300 0.035 0.000 1.171 212 R HN -0.026 nan 8.270 nan 0.000 0.470 213 I N 4.853 125.437 120.570 0.023 0.000 2.378 213 I HA 0.341 4.510 4.170 -0.000 0.000 0.291 213 I C -0.548 175.582 176.117 0.021 0.000 0.992 213 I CA -1.218 60.091 61.300 0.016 0.000 1.154 213 I CB 2.092 40.097 38.000 0.008 0.000 1.315 213 I HN 0.286 nan 8.210 nan 0.000 0.448 214 V N 7.534 127.456 119.914 0.014 0.000 2.384 214 V HA 0.432 4.551 4.120 -0.000 0.000 0.287 214 V C -0.242 175.854 176.094 0.002 0.000 1.020 214 V CA -0.433 61.875 62.300 0.012 0.000 0.850 214 V CB 1.672 33.499 31.823 0.007 0.000 0.987 214 V HN 0.426 nan 8.190 nan 0.000 0.436 215 I N 4.070 124.642 120.570 0.003 0.000 2.389 215 I HA 0.442 4.612 4.170 -0.000 0.000 0.288 215 I C -0.111 176.002 176.117 -0.008 0.000 0.999 215 I CA -0.428 60.868 61.300 -0.006 0.000 1.129 215 I CB 1.847 39.843 38.000 -0.007 0.000 1.288 215 I HN 0.616 nan 8.210 nan 0.000 0.444 216 E N 4.660 124.851 120.200 -0.014 0.000 2.081 216 E HA 0.556 4.906 4.350 -0.000 0.000 0.276 216 E C 0.207 176.795 176.600 -0.020 0.000 0.950 216 E CA -0.503 55.888 56.400 -0.016 0.000 0.776 216 E CB 1.022 30.711 29.700 -0.017 0.000 1.094 216 E HN 0.761 nan 8.360 nan 0.000 0.402 217 G N 2.955 111.744 108.800 -0.018 0.000 2.353 217 G HA2 0.342 4.302 3.960 -0.000 0.000 0.239 217 G HA3 0.342 4.302 3.960 -0.000 0.000 0.239 217 G C -0.037 174.847 174.900 -0.027 0.000 1.295 217 G CA 0.152 45.239 45.100 -0.022 0.000 0.884 217 G HN 0.575 nan 8.290 nan 0.000 0.537 218 V N -0.084 119.810 119.914 -0.033 0.000 3.103 218 V HA 0.675 4.795 4.120 -0.000 0.000 0.318 218 V C 0.930 177.001 176.094 -0.039 0.000 1.114 218 V CA -0.182 62.097 62.300 -0.036 0.000 1.020 218 V CB 2.068 33.866 31.823 -0.041 0.000 1.085 218 V HN 0.888 nan 8.190 nan 0.000 0.446 219 E N 1.307 121.484 120.200 -0.039 0.000 2.385 219 E HA 0.165 4.515 4.350 -0.000 0.000 0.194 219 E C 0.599 177.168 176.600 -0.052 0.000 1.013 219 E CA 0.072 56.447 56.400 -0.042 0.000 0.866 219 E CB 0.308 29.987 29.700 -0.035 0.000 0.832 219 E HN 0.819 nan 8.360 nan 0.000 0.500 220 R N -0.009 120.459 120.500 -0.053 0.000 2.664 220 R HA 0.425 4.765 4.340 -0.000 0.000 0.266 220 R C -1.818 174.445 176.300 -0.061 0.000 1.046 220 R CA -0.820 55.243 56.100 -0.060 0.000 0.885 220 R CB 0.784 31.052 30.300 -0.054 0.000 1.254 220 R HN 0.021 nan 8.270 nan 0.000 0.465 221 L N 1.296 122.479 121.223 -0.067 0.000 2.334 221 L HA 0.643 4.982 4.340 -0.000 0.000 0.273 221 L C 0.823 177.653 176.870 -0.066 0.000 1.013 221 L CA -0.569 54.225 54.840 -0.078 0.000 0.816 221 L CB 2.124 44.126 42.059 -0.095 0.000 1.278 221 L HN 0.981 nan 8.230 nan 0.000 0.431 222 G N 0.454 109.209 108.800 -0.074 0.000 3.022 222 G HA2 0.657 4.617 3.960 -0.000 0.000 0.157 222 G HA3 0.657 4.617 3.960 -0.000 0.000 0.157 222 G C -0.152 174.716 174.900 -0.052 0.000 1.468 222 G CA 0.148 45.217 45.100 -0.052 0.000 1.058 222 G HN 0.748 nan 8.290 nan 0.000 0.581 223 G N -2.896 105.883 108.800 -0.036 0.000 3.211 223 G HA2 0.744 4.704 3.960 -0.000 0.000 0.262 223 G HA3 0.744 4.704 3.960 -0.000 0.000 0.262 223 G C -0.237 174.651 174.900 -0.019 0.000 1.352 223 G CA 0.041 45.133 45.100 -0.013 0.000 1.004 223 G HN 1.826 nan 8.290 nan 0.000 0.559 224 G N -2.704 106.115 108.800 0.032 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 -2.008 172.958 174.900 0.109 0.000 1.308 224 G CA 0.092 45.222 45.100 0.050 0.000 0.892 224 G HN 1.305 nan 8.290 nan 0.000 0.504 225 V N 0.335 120.323 119.914 0.124 0.000 2.656 225 V HA 0.778 4.898 4.120 -0.000 0.000 0.307 225 V C -1.206 175.028 176.094 0.235 0.000 1.051 225 V CA -0.565 61.823 62.300 0.147 0.000 0.893 225 V CB 1.617 33.489 31.823 0.082 0.000 0.999 225 V HN 0.977 nan 8.190 nan 0.000 0.426 226 Y N 3.842 124.201 120.300 0.098 0.000 2.479 226 Y HA 0.597 5.147 4.550 -0.000 0.000 0.338 226 Y C -0.375 175.547 175.900 0.037 0.000 1.055 226 Y CA -0.796 57.370 58.100 0.109 0.000 1.023 226 Y CB 1.703 40.330 38.460 0.279 0.000 1.287 226 Y HN 0.621 nan 8.280 nan 0.000 0.447 227 R N 4.914 125.148 120.500 -0.442 0.000 2.294 227 R HA 0.654 4.994 4.340 -0.000 0.000 0.319 227 R C -1.537 174.618 176.300 -0.242 0.000 0.984 227 R CA -0.580 55.365 56.100 -0.259 0.000 0.861 227 R CB 1.109 31.271 30.300 -0.228 0.000 1.104 227 R HN 0.600 nan 8.270 nan 0.000 0.451 228 V N 6.333 126.233 119.914 -0.023 0.000 2.686 228 V HA 0.089 4.208 4.120 -0.000 0.000 0.295 228 V C 0.910 177.004 176.094 0.000 0.000 1.055 228 V CA -0.391 61.940 62.300 0.051 0.000 1.050 228 V CB 0.977 32.816 31.823 0.026 0.000 0.984 228 V HN 0.694 nan 8.190 nan 0.000 0.482 229 L N 4.922 126.162 121.223 0.027 0.000 2.476 229 L HA 0.524 4.864 4.340 -0.000 0.000 0.255 229 L C -2.375 174.496 176.870 0.002 0.000 1.218 229 L CA -1.509 53.333 54.840 0.004 0.000 0.819 229 L CB -0.086 41.981 42.059 0.014 0.000 1.119 229 L HN 0.350 nan 8.230 nan 0.000 0.485 230 P HA 0.048 nan 4.420 nan 0.000 0.272 230 P C -1.215 176.093 177.300 0.013 0.000 1.223 230 P CA -0.102 63.005 63.100 0.013 0.000 0.784 230 P CB 0.395 32.107 31.700 0.019 0.000 0.923 231 D N 2.285 122.699 120.400 0.025 0.000 2.352 231 D HA 0.005 4.645 4.640 -0.000 0.000 0.245 231 D C 1.341 177.660 176.300 0.031 0.000 1.224 231 D CA -0.105 53.906 54.000 0.017 0.000 0.879 231 D CB 0.607 41.418 40.800 0.019 0.000 1.057 231 D HN 0.340 nan 8.370 nan 0.000 0.491 232 R N 3.825 124.330 120.500 0.007 0.000 2.148 232 R HA -0.109 4.231 4.340 -0.000 0.000 0.227 232 R C 1.394 177.706 176.300 0.020 0.000 1.103 232 R CA 0.552 56.659 56.100 0.012 0.000 0.983 232 R CB -0.108 30.183 30.300 -0.015 0.000 0.874 232 R HN 0.351 nan 8.270 nan 0.000 0.451 233 I N 1.778 122.350 120.570 0.003 0.000 2.286 233 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 233 I C 2.510 178.671 176.117 0.074 0.000 1.104 233 I CA 1.164 62.469 61.300 0.008 0.000 1.397 233 I CB -1.192 36.785 38.000 -0.039 0.000 1.072 233 I HN 0.334 nan 8.210 nan 0.000 0.417 234 E N 0.943 121.200 120.200 0.096 0.000 2.077 234 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 234 E C 2.046 178.803 176.600 0.261 0.000 0.989 234 E CA 2.064 58.601 56.400 0.227 0.000 0.800 234 E CB 0.167 30.035 29.700 0.281 0.000 0.746 234 E HN 0.399 nan 8.360 nan 0.000 0.452 235 T N -0.239 114.440 114.554 0.207 0.000 2.652 235 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 235 T C 1.750 176.555 174.700 0.175 0.000 1.039 235 T CA 1.357 63.581 62.100 0.207 0.000 1.153 235 T CB -0.717 68.226 68.868 0.126 0.000 0.863 235 T HN 0.410 nan 8.240 nan 0.000 0.428 236 G N 0.880 109.749 108.800 0.115 0.000 2.432 236 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.219 236 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.219 236 G C 1.701 176.639 174.900 0.063 0.000 1.135 236 G CA 1.410 46.573 45.100 0.104 0.000 0.767 236 G HN 0.471 nan 8.290 nan 0.000 0.550 237 T N 1.001 115.559 114.554 0.007 0.000 2.777 237 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 237 T C 2.006 176.564 174.700 -0.237 0.000 1.040 237 T CA 0.966 62.971 62.100 -0.157 0.000 1.141 237 T CB -0.287 68.421 68.868 -0.268 0.000 0.868 237 T HN 0.227 nan 8.240 nan 0.000 0.444 238 F N 0.979 120.939 119.950 0.016 0.000 2.206 238 F HA 0.204 4.731 4.527 -0.000 0.000 0.298 238 F C 2.070 177.863 175.800 -0.012 0.000 1.090 238 F CA 0.248 58.244 58.000 -0.007 0.000 1.323 238 F CB -0.765 38.241 39.000 0.010 0.000 1.028 238 F HN 0.063 nan 8.300 nan 0.000 0.492 239 L N -0.830 120.494 121.223 0.169 0.000 2.042 239 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 239 L C 2.342 179.220 176.870 0.014 0.000 1.076 239 L CA 0.817 55.712 54.840 0.093 0.000 0.749 239 L CB -0.820 41.298 42.059 0.098 0.000 0.893 239 L HN -0.029 nan 8.230 nan 0.000 0.432 240 V N -0.212 119.676 119.914 -0.044 0.000 2.453 240 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 240 V C 2.723 178.751 176.094 -0.111 0.000 1.048 240 V CA 1.510 63.717 62.300 -0.155 0.000 1.049 240 V CB -0.645 31.026 31.823 -0.253 0.000 0.672 240 V HN 0.465 nan 8.190 nan 0.000 0.457 241 A N 0.244 123.024 122.820 -0.067 0.000 1.892 241 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 241 A C 2.426 180.002 177.584 -0.014 0.000 1.188 241 A CA 2.452 54.466 52.037 -0.037 0.000 0.631 241 A CB -0.816 18.199 19.000 0.025 0.000 0.822 241 A HN 0.579 nan 8.150 nan 0.000 0.447 242 A N -0.371 122.455 122.820 0.010 0.000 1.873 242 A HA 0.205 4.525 4.320 -0.000 0.000 0.215 242 A C 2.522 180.089 177.584 -0.027 0.000 1.186 242 A CA 2.064 54.101 52.037 -0.001 0.000 0.616 242 A CB -1.100 17.907 19.000 0.012 0.000 0.823 242 A HN 1.167 nan 8.150 nan 0.000 0.442 243 A N 0.381 123.177 122.820 -0.041 0.000 2.019 243 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 243 A C 2.060 179.610 177.584 -0.057 0.000 1.164 243 A CA 1.542 53.548 52.037 -0.053 0.000 0.644 243 A CB -0.801 18.154 19.000 -0.075 0.000 0.805 243 A HN 0.984 nan 8.150 nan 0.000 0.449 244 I N -2.852 117.678 120.570 -0.067 0.000 3.030 244 I HA 0.036 4.206 4.170 -0.000 0.000 0.270 244 I C 1.706 177.799 176.117 -0.039 0.000 1.211 244 I CA 1.279 62.544 61.300 -0.059 0.000 1.479 244 I CB -0.034 37.922 38.000 -0.074 0.000 1.105 244 I HN 0.223 nan 8.210 nan 0.000 0.447 245 S N 0.779 116.459 115.700 -0.034 0.000 2.597 245 S HA 0.276 4.746 4.470 -0.000 0.000 0.224 245 S C 0.889 175.478 174.600 -0.019 0.000 0.955 245 S CA -0.541 57.644 58.200 -0.025 0.000 0.933 245 S CB -0.352 62.834 63.200 -0.022 0.000 0.788 245 S HN 0.566 nan 8.310 nan 0.000 0.488 246 R N 0.174 120.661 120.500 -0.020 0.000 3.525 246 R HA -0.132 4.208 4.340 -0.000 0.000 0.276 246 R C 0.717 177.005 176.300 -0.021 0.000 1.116 246 R CA 0.397 56.488 56.100 -0.016 0.000 0.745 246 R CB -2.421 27.876 30.300 -0.005 0.000 1.185 246 R HN 0.629 nan 8.270 nan 0.000 0.454 247 G N 0.788 109.572 108.800 -0.027 0.000 2.736 247 G HA2 0.604 4.564 3.960 -0.000 0.000 0.229 247 G HA3 0.604 4.564 3.960 -0.000 0.000 0.229 247 G C -0.473 174.400 174.900 -0.046 0.000 1.380 247 G CA -0.320 44.762 45.100 -0.029 0.000 1.040 247 G HN 0.171 nan 8.290 nan 0.000 0.568 248 K N -1.627 118.750 120.400 -0.040 0.000 2.542 248 K HA 0.704 5.024 4.320 -0.000 0.000 0.259 248 K C -1.943 174.641 176.600 -0.027 0.000 0.932 248 K CA -0.799 55.459 56.287 -0.049 0.000 0.820 248 K CB 2.414 34.873 32.500 -0.068 0.000 1.345 248 K HN 0.514 nan 8.250 nan 0.000 0.432 249 I N 2.911 123.473 120.570 -0.013 0.000 2.841 249 I HA 0.434 4.604 4.170 -0.000 0.000 0.298 249 I C -1.640 174.489 176.117 0.020 0.000 1.304 249 I CA -1.279 60.020 61.300 -0.001 0.000 1.019 249 I CB 1.952 39.963 38.000 0.019 0.000 1.282 249 I HN 0.661 nan 8.210 nan 0.000 0.432 250 I N 5.597 126.168 120.570 0.003 0.000 2.406 250 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 250 I C -0.618 175.522 176.117 0.038 0.000 0.999 250 I CA -0.554 60.767 61.300 0.035 0.000 1.124 250 I CB 1.280 39.257 38.000 -0.038 0.000 1.289 250 I HN 0.475 nan 8.210 nan 0.000 0.441 251 C N 6.398 125.762 119.300 0.106 0.000 2.273 251 C HA 0.526 4.986 4.460 -0.000 0.000 0.328 251 C C 0.660 175.725 174.990 0.125 0.000 1.275 251 C CA -0.751 58.317 59.018 0.084 0.000 1.704 251 C CB 0.419 28.223 27.740 0.107 0.000 2.326 251 C HN 0.601 nan 8.230 nan 0.000 0.517 252 R N 2.675 123.215 120.500 0.066 0.000 2.598 252 R HA 0.329 4.669 4.340 -0.000 0.000 0.279 252 R C 0.067 176.407 176.300 0.066 0.000 0.984 252 R CA -0.443 55.706 56.100 0.082 0.000 0.999 252 R CB 0.492 30.809 30.300 0.027 0.000 1.114 252 R HN 0.793 nan 8.270 nan 0.000 0.493 253 N N -0.937 117.810 118.700 0.078 0.000 2.756 253 N HA -0.178 4.561 4.740 -0.000 0.000 0.248 253 N C -1.110 174.429 175.510 0.050 0.000 1.062 253 N CA 1.087 54.168 53.050 0.052 0.000 0.696 253 N CB -0.980 37.524 38.487 0.029 0.000 0.946 253 N HN 0.756 nan 8.380 nan 0.000 0.548 254 A N -0.080 122.778 122.820 0.062 0.000 2.288 254 A HA 0.730 5.050 4.320 -0.000 0.000 0.328 254 A C 0.233 177.824 177.584 0.012 0.000 1.123 254 A CA -0.445 51.618 52.037 0.044 0.000 0.861 254 A CB 1.239 20.274 19.000 0.058 0.000 1.272 254 A HN 0.227 nan 8.150 nan 0.000 0.490 255 Q N 0.605 120.406 119.800 0.002 0.000 2.771 255 Q HA 0.328 4.668 4.340 -0.000 0.000 0.247 255 Q C -2.297 173.690 176.000 -0.021 0.000 0.986 255 Q CA -1.757 54.037 55.803 -0.016 0.000 0.713 255 Q CB 1.231 29.963 28.738 -0.009 0.000 1.241 255 Q HN 0.421 nan 8.270 nan 0.000 0.488 256 P HA -0.197 nan 4.420 nan 0.000 0.216 256 P C 0.584 177.868 177.300 -0.026 0.000 1.150 256 P CA 1.527 64.596 63.100 -0.052 0.000 0.843 256 P CB 0.157 31.787 31.700 -0.116 0.000 0.787 257 D N -2.076 118.310 120.400 -0.023 0.000 2.411 257 D HA -0.113 4.527 4.640 -0.000 0.000 0.226 257 D C 1.255 177.579 176.300 0.039 0.000 0.988 257 D CA 1.187 55.187 54.000 0.000 0.000 0.938 257 D CB -1.440 39.359 40.800 -0.001 0.000 0.883 257 D HN 0.082 nan 8.370 nan 0.000 0.525 258 T N -0.606 113.969 114.554 0.036 0.000 3.065 258 T HA 0.235 4.585 4.350 -0.000 0.000 0.252 258 T C 1.109 175.864 174.700 0.091 0.000 1.099 258 T CA 0.034 62.171 62.100 0.061 0.000 1.063 258 T CB 0.089 68.961 68.868 0.007 0.000 0.948 258 T HN 0.159 nan 8.240 nan 0.000 0.506 259 L N 0.467 121.721 121.223 0.051 0.000 3.289 259 L HA 0.280 4.620 4.340 -0.000 0.000 0.291 259 L C 0.937 177.817 176.870 0.017 0.000 1.279 259 L CA -0.208 54.650 54.840 0.031 0.000 1.025 259 L CB 0.560 42.633 42.059 0.024 0.000 1.413 259 L HN -0.032 nan 8.230 nan 0.000 0.593 260 D N 1.591 122.000 120.400 0.014 0.000 2.127 260 D HA -0.244 4.396 4.640 -0.000 0.000 0.190 260 D C 2.159 178.459 176.300 0.001 0.000 1.000 260 D CA 1.884 55.883 54.000 -0.002 0.000 0.839 260 D CB 0.157 40.945 40.800 -0.020 0.000 0.955 260 D HN 0.387 nan 8.370 nan 0.000 0.446 261 A N 0.627 123.438 122.820 -0.015 0.000 1.883 261 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 261 A C 2.619 180.232 177.584 0.049 0.000 1.186 261 A CA 1.679 53.724 52.037 0.013 0.000 0.624 261 A CB -0.875 18.134 19.000 0.015 0.000 0.822 261 A HN 0.169 nan 8.150 nan 0.000 0.444 262 V N 0.159 120.067 119.914 -0.010 0.000 2.343 262 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 262 V C 2.574 178.766 176.094 0.162 0.000 1.051 262 V CA 1.952 64.271 62.300 0.031 0.000 1.036 262 V CB -0.721 31.085 31.823 -0.028 0.000 0.654 262 V HN 0.568 nan 8.190 nan 0.000 0.451 263 L N -0.022 121.263 121.223 0.103 0.000 2.056 263 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 263 L C 2.781 179.712 176.870 0.101 0.000 1.078 263 L CA 1.526 56.428 54.840 0.104 0.000 0.749 263 L CB -0.931 41.162 42.059 0.056 0.000 0.901 263 L HN 0.362 nan 8.230 nan 0.000 0.433 264 A N 0.152 123.016 122.820 0.073 0.000 1.908 264 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 264 A C 2.306 179.937 177.584 0.079 0.000 1.181 264 A CA 2.058 54.130 52.037 0.058 0.000 0.627 264 A CB -0.401 18.619 19.000 0.032 0.000 0.818 264 A HN 0.188 nan 8.150 nan 0.000 0.445 265 K N -0.356 120.107 120.400 0.105 0.000 2.097 265 K HA 0.098 4.418 4.320 -0.000 0.000 0.205 265 K C 1.786 178.540 176.600 0.257 0.000 1.050 265 K CA 0.959 57.318 56.287 0.120 0.000 0.938 265 K CB -0.460 32.039 32.500 -0.002 0.000 0.718 265 K HN 0.507 nan 8.250 nan 0.000 0.442 266 L N 0.085 121.501 121.223 0.322 0.000 2.046 266 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 266 L C 2.329 179.283 176.870 0.140 0.000 1.077 266 L CA 1.350 56.343 54.840 0.254 0.000 0.747 266 L CB -0.304 41.886 42.059 0.218 0.000 0.896 266 L HN 0.150 nan 8.230 nan 0.000 0.432 267 R N 0.002 120.570 120.500 0.113 0.000 2.083 267 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 267 R C 1.865 178.207 176.300 0.070 0.000 1.137 267 R CA 1.715 57.863 56.100 0.080 0.000 0.951 267 R CB -0.526 29.812 30.300 0.064 0.000 0.851 267 R HN 0.361 nan 8.270 nan 0.000 0.434 268 D N 0.480 120.922 120.400 0.070 0.000 2.221 268 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 268 D C 1.489 177.823 176.300 0.055 0.000 0.982 268 D CA 1.331 55.361 54.000 0.049 0.000 0.857 268 D CB -0.118 40.700 40.800 0.030 0.000 0.934 268 D HN 0.297 nan 8.370 nan 0.000 0.475 269 A N -0.483 122.386 122.820 0.082 0.000 2.208 269 A HA 0.407 4.727 4.320 -0.000 0.000 0.209 269 A C 1.736 179.351 177.584 0.051 0.000 1.161 269 A CA 1.097 53.175 52.037 0.069 0.000 0.782 269 A CB -0.014 19.038 19.000 0.087 0.000 0.816 269 A HN 0.263 nan 8.150 nan 0.000 0.477 270 G N -2.432 106.402 108.800 0.056 0.000 2.154 270 G HA2 0.202 4.162 3.960 -0.000 0.000 0.186 270 G HA3 0.202 4.162 3.960 -0.000 0.000 0.186 270 G C 0.264 175.203 174.900 0.064 0.000 1.000 270 G CA 0.086 45.219 45.100 0.056 0.000 0.664 270 G HN 1.419 nan 8.290 nan 0.000 0.513 271 A N -0.108 122.748 122.820 0.061 0.000 2.302 271 A HA 0.636 4.956 4.320 -0.000 0.000 0.285 271 A C -0.041 177.583 177.584 0.067 0.000 1.105 271 A CA 0.279 52.346 52.037 0.050 0.000 0.816 271 A CB 0.832 19.857 19.000 0.041 0.000 1.067 271 A HN 0.434 nan 8.150 nan 0.000 0.489 272 D N 1.398 121.832 120.400 0.056 0.000 2.412 272 D HA 0.501 5.141 4.640 -0.000 0.000 0.224 272 D C -0.846 175.496 176.300 0.070 0.000 1.093 272 D CA 0.092 54.148 54.000 0.093 0.000 0.850 272 D CB 0.094 41.005 40.800 0.184 0.000 1.046 272 D HN 0.337 nan 8.370 nan 0.000 0.507 273 I N 3.003 123.620 120.570 0.079 0.000 2.465 273 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 273 I C 0.189 176.355 176.117 0.081 0.000 1.014 273 I CA -0.720 60.626 61.300 0.078 0.000 1.093 273 I CB 1.839 39.877 38.000 0.064 0.000 1.267 273 I HN 0.209 nan 8.210 nan 0.000 0.431 274 E N 5.175 125.444 120.200 0.116 0.000 2.288 274 E HA 0.622 4.972 4.350 -0.000 0.000 0.268 274 E C -1.303 175.241 176.600 -0.093 0.000 0.885 274 E CA -0.862 55.591 56.400 0.088 0.000 0.767 274 E CB 3.389 33.236 29.700 0.244 0.000 1.220 274 E HN 0.400 nan 8.360 nan 0.000 0.427 275 V N -1.084 118.612 119.914 -0.364 0.000 2.680 275 V HA 0.884 5.004 4.120 -0.000 0.000 0.309 275 V C 0.119 175.460 176.094 -1.254 0.000 1.052 275 V CA -0.475 61.372 62.300 -0.755 0.000 0.908 275 V CB 1.439 33.029 31.823 -0.388 0.000 1.001 275 V HN 0.741 nan 8.190 nan 0.000 0.431 276 G N 1.532 109.037 108.800 -2.159 0.000 2.736 276 G HA2 0.423 4.383 3.960 -0.000 0.000 0.229 276 G HA3 0.423 4.383 3.960 -0.000 0.000 0.229 276 G C 0.180 174.667 174.900 -0.689 0.000 1.380 276 G CA 0.172 44.359 45.100 -1.523 0.000 1.040 276 G HN 0.863 nan 8.290 nan 0.000 0.568 277 E N -0.701 119.307 120.200 -0.320 0.000 2.318 277 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 277 E C 0.201 176.737 176.600 -0.107 0.000 0.998 277 E CA 1.024 57.334 56.400 -0.150 0.000 0.859 277 E CB 0.297 29.974 29.700 -0.040 0.000 0.812 277 E HN 0.515 nan 8.360 nan 0.000 0.492 278 D N -0.656 119.702 120.400 -0.071 0.000 2.740 278 D HA 0.002 4.642 4.640 -0.000 0.000 0.305 278 D C -0.360 176.026 176.300 0.144 0.000 1.583 278 D CA -0.478 53.538 54.000 0.027 0.000 0.790 278 D CB -0.905 39.940 40.800 0.074 0.000 1.187 278 D HN 0.164 nan 8.370 nan 0.000 0.447 279 W N 0.177 121.479 121.300 0.004 0.000 3.083 279 W HA 0.713 5.373 4.660 -0.000 0.000 0.333 279 W C -1.947 174.578 176.519 0.011 0.000 1.217 279 W CA -1.333 56.015 57.345 0.004 0.000 1.170 279 W CB 0.594 30.053 29.460 -0.002 0.000 1.437 279 W HN -0.299 nan 8.180 nan 0.000 0.557 280 I N 2.928 123.688 120.570 0.316 0.000 2.582 280 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 280 I C -0.049 176.298 176.117 0.384 0.000 1.066 280 I CA -0.724 60.696 61.300 0.200 0.000 1.053 280 I CB 2.552 40.601 38.000 0.081 0.000 1.241 280 I HN 0.463 nan 8.210 nan 0.000 0.421 281 S N 6.690 122.632 115.700 0.402 0.000 2.532 281 S HA 0.864 5.334 4.470 -0.000 0.000 0.301 281 S C -1.006 173.688 174.600 0.156 0.000 1.083 281 S CA -0.733 57.637 58.200 0.283 0.000 1.025 281 S CB 2.386 65.778 63.200 0.320 0.000 1.056 281 S HN 0.632 nan 8.310 nan 0.000 0.494 282 L N 1.958 123.232 121.223 0.084 0.000 2.470 282 L HA 0.659 4.999 4.340 -0.000 0.000 0.268 282 L C -2.032 174.818 176.870 -0.034 0.000 0.964 282 L CA -0.249 54.612 54.840 0.035 0.000 0.839 282 L CB 1.950 44.033 42.059 0.040 0.000 1.276 282 L HN 0.838 nan 8.230 nan 0.000 0.403 283 D N 4.733 125.069 120.400 -0.106 0.000 2.757 283 D HA 0.329 4.969 4.640 -0.000 0.000 0.249 283 D C 0.252 176.347 176.300 -0.341 0.000 1.168 283 D CA -0.435 53.397 54.000 -0.280 0.000 0.870 283 D CB 1.925 42.437 40.800 -0.480 0.000 1.411 283 D HN 0.478 nan 8.370 nan 0.000 0.525 284 M N 1.503 120.960 119.600 -0.239 0.000 2.509 284 M HA 0.028 4.507 4.480 -0.000 0.000 0.250 284 M C 0.141 176.414 176.300 -0.045 0.000 1.132 284 M CA 0.245 55.478 55.300 -0.113 0.000 1.080 284 M CB -0.692 31.881 32.600 -0.045 0.000 1.408 284 M HN 0.477 nan 8.290 nan 0.000 0.484 285 H N 0.316 119.395 119.070 0.015 0.000 2.692 285 H HA -0.160 4.395 4.556 -0.000 0.000 0.316 285 H C 1.369 176.703 175.328 0.009 0.000 1.176 285 H CA 0.911 56.966 56.048 0.012 0.000 1.142 285 H CB -2.233 27.538 29.762 0.014 0.000 1.475 285 H HN 0.655 nan 8.280 nan 0.000 0.423 286 G N -0.726 108.113 108.800 0.067 0.000 2.196 286 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.268 286 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.268 286 G C 0.464 175.388 174.900 0.041 0.000 0.975 286 G CA 0.871 45.998 45.100 0.045 0.000 0.648 286 G HN 0.401 nan 8.290 nan 0.000 0.538 287 K N 0.270 120.702 120.400 0.052 0.000 2.185 287 K HA 0.387 4.707 4.320 -0.000 0.000 0.271 287 K C 0.720 177.334 176.600 0.024 0.000 1.013 287 K CA -0.770 55.543 56.287 0.043 0.000 0.943 287 K CB 1.111 33.647 32.500 0.061 0.000 0.998 287 K HN 0.452 nan 8.250 nan 0.000 0.468 288 R N 3.249 123.762 120.500 0.020 0.000 2.390 288 R HA 0.178 4.518 4.340 -0.000 0.000 0.291 288 R C -2.027 174.281 176.300 0.015 0.000 1.070 288 R CA -1.223 54.885 56.100 0.012 0.000 1.014 288 R CB 0.453 30.761 30.300 0.013 0.000 1.007 288 R HN 0.335 nan 8.270 nan 0.000 0.466 289 P HA 0.045 nan 4.420 nan 0.000 0.272 289 P C -1.200 176.109 177.300 0.016 0.000 1.223 289 P CA 0.036 63.141 63.100 0.008 0.000 0.784 289 P CB 0.699 32.392 31.700 -0.012 0.000 0.923 290 K N 0.998 121.412 120.400 0.023 0.000 2.156 290 K HA 0.475 4.795 4.320 -0.000 0.000 0.271 290 K C 0.227 176.840 176.600 0.022 0.000 0.995 290 K CA -0.646 55.655 56.287 0.024 0.000 0.890 290 K CB 1.666 34.182 32.500 0.025 0.000 1.073 290 K HN 0.546 nan 8.250 nan 0.000 0.454 291 A N 2.179 125.009 122.820 0.017 0.000 2.561 291 A HA 0.206 4.526 4.320 -0.000 0.000 0.234 291 A C 0.391 177.969 177.584 -0.011 0.000 1.055 291 A CA -0.171 51.870 52.037 0.006 0.000 0.756 291 A CB -0.127 18.875 19.000 0.004 0.000 0.986 291 A HN 0.542 nan 8.150 nan 0.000 0.505 292 V N 0.423 120.321 119.914 -0.025 0.000 3.074 292 V HA 0.664 4.784 4.120 -0.000 0.000 0.314 292 V C -0.427 175.540 176.094 -0.213 0.000 1.117 292 V CA -1.256 60.996 62.300 -0.080 0.000 1.014 292 V CB 1.925 33.740 31.823 -0.014 0.000 1.057 292 V HN 0.878 nan 8.190 nan 0.000 0.438 293 N N 0.170 118.667 118.700 -0.339 0.000 2.372 293 N HA 0.779 5.519 4.740 -0.000 0.000 0.291 293 N C -1.381 173.818 175.510 -0.519 0.000 1.024 293 N CA -0.565 52.104 53.050 -0.634 0.000 0.873 293 N CB 2.272 40.192 38.487 -0.945 0.000 1.206 293 N HN 0.626 nan 8.380 nan 0.000 0.486 294 V N 1.620 121.219 119.914 -0.525 0.000 2.789 294 V HA 0.503 4.623 4.120 -0.000 0.000 0.311 294 V C -0.479 175.424 176.094 -0.319 0.000 1.073 294 V CA -0.784 61.199 62.300 -0.529 0.000 0.921 294 V CB 2.141 33.453 31.823 -0.852 0.000 1.009 294 V HN 0.650 nan 8.190 nan 0.000 0.426 295 R N 2.239 122.588 120.500 -0.252 0.000 2.473 295 R HA 0.505 4.844 4.340 -0.000 0.000 0.303 295 R C -0.147 176.139 176.300 -0.022 0.000 1.002 295 R CA -0.262 55.796 56.100 -0.070 0.000 0.884 295 R CB 1.657 31.956 30.300 -0.001 0.000 1.173 295 R HN 0.940 nan 8.270 nan 0.000 0.464 296 T N 1.293 115.875 114.554 0.048 0.000 2.926 296 T HA 0.634 4.984 4.350 -0.000 0.000 0.307 296 T C 0.111 174.856 174.700 0.075 0.000 1.059 296 T CA -0.035 62.152 62.100 0.146 0.000 1.122 296 T CB 1.475 70.438 68.868 0.158 0.000 0.972 296 T HN 0.716 nan 8.240 nan 0.000 0.545 297 A N 3.154 126.016 122.820 0.069 0.000 2.515 297 A HA 0.728 5.048 4.320 -0.000 0.000 0.292 297 A C -3.148 174.443 177.584 0.012 0.000 1.065 297 A CA -1.657 50.390 52.037 0.017 0.000 0.641 297 A CB 0.232 19.239 19.000 0.013 0.000 1.306 297 A HN 0.657 nan 8.150 nan 0.000 0.441 298 P HA 0.280 nan 4.420 nan 0.000 0.269 298 P C -0.357 176.970 177.300 0.044 0.000 1.215 298 P CA 0.322 63.432 63.100 0.016 0.000 0.780 298 P CB 0.139 31.841 31.700 0.003 0.000 0.898 299 H N 3.927 122.986 119.070 -0.019 0.000 3.038 299 H HA -0.009 4.547 4.556 -0.000 0.000 0.338 299 H C -1.312 174.009 175.328 -0.011 0.000 1.041 299 H CA -0.376 55.662 56.048 -0.018 0.000 1.394 299 H CB 0.244 29.996 29.762 -0.017 0.000 1.357 299 H HN 0.304 nan 8.280 nan 0.000 0.600 300 P HA 0.192 nan 4.420 nan 0.000 0.254 300 P C -0.467 176.599 177.300 -0.390 0.000 1.494 300 P CA 0.012 62.470 63.100 -1.070 0.000 0.961 300 P CB 0.025 31.228 31.700 -0.829 0.000 1.493 301 A N 0.462 123.178 122.820 -0.172 0.000 2.325 301 A HA 0.259 4.579 4.320 -0.000 0.000 0.260 301 A C -0.204 177.389 177.584 0.014 0.000 1.133 301 A CA -0.442 51.567 52.037 -0.047 0.000 0.801 301 A CB -0.501 18.497 19.000 -0.004 0.000 1.092 301 A HN 0.181 nan 8.150 nan 0.000 0.504 302 F N 1.068 120.965 119.950 -0.089 0.000 2.578 302 F HA 0.376 4.903 4.527 -0.000 0.000 0.381 302 F C -1.991 173.778 175.800 -0.052 0.000 1.069 302 F CA -1.878 56.063 58.000 -0.099 0.000 1.231 302 F CB 0.558 39.457 39.000 -0.168 0.000 1.086 302 F HN 0.184 nan 8.300 nan 0.000 0.564 303 P HA 0.078 nan 4.420 nan 0.000 0.285 303 P C 0.421 177.718 177.300 -0.004 0.000 1.259 303 P CA -0.236 62.787 63.100 -0.129 0.000 0.794 303 P CB 1.391 32.970 31.700 -0.201 0.000 0.940 304 T N 0.711 115.319 114.554 0.089 0.000 2.803 304 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 304 T C 0.985 175.757 174.700 0.120 0.000 1.052 304 T CA 1.659 63.848 62.100 0.148 0.000 1.136 304 T CB -0.771 68.197 68.868 0.166 0.000 0.864 304 T HN 0.289 nan 8.240 nan 0.000 0.467 305 D N 0.294 120.733 120.400 0.065 0.000 2.378 305 D HA 0.019 4.659 4.640 -0.000 0.000 0.222 305 D C 1.388 177.703 176.300 0.025 0.000 0.980 305 D CA 0.607 54.627 54.000 0.034 0.000 0.907 305 D CB 0.032 40.837 40.800 0.009 0.000 0.899 305 D HN 0.399 nan 8.370 nan 0.000 0.527 306 M N -0.322 119.288 119.600 0.016 0.000 2.313 306 M HA 0.049 4.529 4.480 -0.000 0.000 0.273 306 M C 1.632 178.147 176.300 0.358 0.000 1.049 306 M CA 0.102 55.454 55.300 0.086 0.000 1.004 306 M CB 0.373 32.857 32.600 -0.192 0.000 1.461 306 M HN -0.015 nan 8.290 nan 0.000 0.514 307 Q N 1.041 121.046 119.800 0.342 0.000 2.096 307 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 307 Q C 1.663 177.802 176.000 0.232 0.000 0.982 307 Q CA 2.199 58.227 55.803 0.374 0.000 0.850 307 Q CB 0.091 28.981 28.738 0.252 0.000 0.901 307 Q HN 0.459 nan 8.270 nan 0.000 0.422 308 A N 0.355 123.159 122.820 -0.026 0.000 1.930 308 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 308 A C 1.983 179.546 177.584 -0.034 0.000 1.175 308 A CA 1.440 53.279 52.037 -0.330 0.000 0.627 308 A CB -0.383 18.080 19.000 -0.895 0.000 0.815 308 A HN 0.455 nan 8.150 nan 0.000 0.443 309 Q N -1.122 118.704 119.800 0.043 0.000 2.084 309 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 309 Q C 1.568 177.598 176.000 0.050 0.000 0.978 309 Q CA 1.669 57.492 55.803 0.033 0.000 0.844 309 Q CB -0.443 28.314 28.738 0.032 0.000 0.898 309 Q HN 0.697 nan 8.270 nan 0.000 0.426 310 F N -0.110 119.915 119.950 0.125 0.000 2.407 310 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 310 F C 2.101 177.945 175.800 0.074 0.000 1.097 310 F CA 1.048 59.118 58.000 0.117 0.000 1.422 310 F CB -0.151 38.952 39.000 0.171 0.000 1.067 310 F HN 0.019 nan 8.300 nan 0.000 0.539 311 T N 0.485 115.192 114.554 0.256 0.000 2.746 311 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 311 T C 2.007 176.787 174.700 0.133 0.000 1.039 311 T CA 1.308 63.538 62.100 0.217 0.000 1.142 311 T CB -0.510 68.571 68.868 0.355 0.000 0.866 311 T HN 0.144 nan 8.240 nan 0.000 0.444 312 L N 1.321 122.601 121.223 0.096 0.000 2.017 312 L HA 0.067 4.407 4.340 -0.000 0.000 0.208 312 L C 2.230 179.096 176.870 -0.007 0.000 1.073 312 L CA 1.485 56.347 54.840 0.037 0.000 0.745 312 L CB -0.925 41.135 42.059 0.003 0.000 0.894 312 L HN 0.262 nan 8.230 nan 0.000 0.432 313 L N -0.237 120.954 121.223 -0.054 0.000 1.990 313 L HA -0.307 4.033 4.340 -0.000 0.000 0.213 313 L C 2.256 179.112 176.870 -0.023 0.000 1.072 313 L CA 2.054 56.841 54.840 -0.089 0.000 0.755 313 L CB -0.644 41.280 42.059 -0.224 0.000 0.889 313 L HN 0.392 nan 8.230 nan 0.000 0.432 314 N N -0.103 118.608 118.700 0.018 0.000 2.205 314 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 314 N C 1.765 177.288 175.510 0.021 0.000 1.015 314 N CA 1.399 54.464 53.050 0.026 0.000 0.862 314 N CB -0.372 38.138 38.487 0.037 0.000 0.986 314 N HN 0.409 nan 8.380 nan 0.000 0.429 315 L N 0.071 121.308 121.223 0.023 0.000 2.395 315 L HA -0.002 4.338 4.340 -0.000 0.000 0.218 315 L C 1.290 178.164 176.870 0.007 0.000 1.130 315 L CA 0.429 55.281 54.840 0.020 0.000 0.826 315 L CB 0.116 42.189 42.059 0.023 0.000 0.941 315 L HN 0.058 nan 8.230 nan 0.000 0.451 316 V N -4.778 115.137 119.914 0.000 0.000 3.159 316 V HA 0.541 4.661 4.120 -0.000 0.000 0.333 316 V C 0.652 176.748 176.094 0.003 0.000 1.424 316 V CA -0.281 62.016 62.300 -0.005 0.000 1.125 316 V CB -0.300 31.513 31.823 -0.017 0.000 1.075 316 V HN 0.088 nan 8.190 nan 0.000 0.482 317 A N 0.150 122.976 122.820 0.011 0.000 2.248 317 A HA 0.689 5.009 4.320 -0.000 0.000 0.316 317 A C 0.004 177.605 177.584 0.028 0.000 1.101 317 A CA -0.633 51.413 52.037 0.015 0.000 0.875 317 A CB 0.737 19.745 19.000 0.013 0.000 1.207 317 A HN 0.484 nan 8.150 nan 0.000 0.504 318 E N -0.327 119.889 120.200 0.028 0.000 2.105 318 E HA 0.452 4.802 4.350 -0.000 0.000 0.285 318 E C 0.520 177.144 176.600 0.039 0.000 1.055 318 E CA 1.013 57.433 56.400 0.034 0.000 0.843 318 E CB 0.242 29.959 29.700 0.029 0.000 1.067 318 E HN 1.310 nan 8.360 nan 0.000 0.398 319 G N 2.719 111.551 108.800 0.055 0.000 2.447 319 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.220 319 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.220 319 G C -0.597 174.347 174.900 0.074 0.000 1.261 319 G CA -0.595 44.543 45.100 0.063 0.000 1.000 319 G HN 0.474 nan 8.290 nan 0.000 0.515 320 T N 0.634 115.230 114.554 0.070 0.000 2.797 320 T HA 0.727 5.076 4.350 -0.000 0.000 0.279 320 T C 0.454 175.157 174.700 0.006 0.000 0.991 320 T CA 0.474 62.597 62.100 0.039 0.000 0.979 320 T CB 1.503 70.432 68.868 0.103 0.000 0.943 320 T HN 1.697 nan 8.240 nan 0.000 0.444 321 G N 2.093 110.873 108.800 -0.034 0.000 2.612 321 G HA2 0.741 4.701 3.960 -0.000 0.000 0.298 321 G HA3 0.741 4.701 3.960 -0.000 0.000 0.298 321 G C -1.279 173.615 174.900 -0.009 0.000 1.336 321 G CA -0.930 44.135 45.100 -0.058 0.000 0.953 321 G HN 0.659 nan 8.290 nan 0.000 0.482 322 F N -0.195 119.717 119.950 -0.064 0.000 2.538 322 F HA 0.857 5.384 4.527 -0.000 0.000 0.325 322 F C -0.696 175.074 175.800 -0.050 0.000 1.066 322 F CA -1.691 56.269 58.000 -0.067 0.000 0.946 322 F CB 1.809 40.768 39.000 -0.068 0.000 1.199 322 F HN 0.270 nan 8.300 nan 0.000 0.473 323 I N 2.422 123.119 120.570 0.212 0.000 2.439 323 I HA 0.284 4.454 4.170 -0.000 0.000 0.285 323 I C -0.925 175.351 176.117 0.266 0.000 1.021 323 I CA -0.503 60.880 61.300 0.138 0.000 1.091 323 I CB 2.215 40.297 38.000 0.138 0.000 1.242 323 I HN 0.705 nan 8.210 nan 0.000 0.439 324 T N 4.383 119.082 114.554 0.241 0.000 2.794 324 T HA 0.291 4.641 4.350 -0.000 0.000 0.280 324 T C -0.349 174.475 174.700 0.206 0.000 0.987 324 T CA -0.426 61.821 62.100 0.245 0.000 0.993 324 T CB 1.683 70.683 68.868 0.220 0.000 0.939 324 T HN 0.475 nan 8.240 nan 0.000 0.449 325 E N 1.613 121.971 120.200 0.262 0.000 2.113 325 E HA 0.386 4.736 4.350 -0.000 0.000 0.273 325 E C 0.811 177.475 176.600 0.106 0.000 0.924 325 E CA -0.593 55.908 56.400 0.168 0.000 0.764 325 E CB 0.818 30.588 29.700 0.116 0.000 1.104 325 E HN 0.652 nan 8.360 nan 0.000 0.406 326 T N 0.523 115.107 114.554 0.050 0.000 3.044 326 T HA 0.146 4.496 4.350 -0.000 0.000 0.260 326 T C 0.984 175.651 174.700 -0.056 0.000 1.019 326 T CA 0.443 62.551 62.100 0.013 0.000 0.921 326 T CB 0.183 69.058 68.868 0.011 0.000 1.053 326 T HN 0.203 nan 8.240 nan 0.000 0.533 327 V N -0.278 119.567 119.914 -0.114 0.000 2.521 327 V HA 0.421 4.541 4.120 -0.000 0.000 0.239 327 V C 0.075 175.882 176.094 -0.479 0.000 1.053 327 V CA 0.372 62.471 62.300 -0.336 0.000 1.073 327 V CB -0.202 31.362 31.823 -0.431 0.000 0.746 327 V HN 0.426 nan 8.190 nan 0.000 0.476 328 F N 0.697 120.630 119.950 -0.029 0.000 2.434 328 F HA 0.449 4.975 4.527 -0.000 0.000 0.367 328 F C 1.107 176.861 175.800 -0.076 0.000 1.093 328 F CA -1.132 56.837 58.000 -0.053 0.000 1.085 328 F CB 0.753 39.707 39.000 -0.078 0.000 1.322 328 F HN 0.040 nan 8.300 nan 0.000 0.452 329 E N 0.927 121.209 120.200 0.136 0.000 2.409 329 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 329 E C 1.045 177.737 176.600 0.153 0.000 1.024 329 E CA 0.569 57.045 56.400 0.127 0.000 0.861 329 E CB 0.122 29.891 29.700 0.116 0.000 0.788 329 E HN 0.550 nan 8.360 nan 0.000 0.521 330 N N 0.863 119.621 118.700 0.096 0.000 2.458 330 N HA 0.038 4.778 4.740 -0.000 0.000 0.274 330 N C -0.194 175.300 175.510 -0.027 0.000 1.242 330 N CA -0.152 52.956 53.050 0.097 0.000 0.904 330 N CB 0.338 38.875 38.487 0.083 0.000 1.206 330 N HN -0.117 nan 8.380 nan 0.000 0.510 331 R N 0.968 121.303 120.500 -0.275 0.000 3.785 331 R HA 0.161 4.501 4.340 -0.000 0.000 0.255 331 R C -0.904 175.104 176.300 -0.485 0.000 1.485 331 R CA -0.147 55.770 56.100 -0.305 0.000 1.555 331 R CB -0.102 30.066 30.300 -0.220 0.000 1.362 331 R HN 0.219 nan 8.270 nan 0.000 0.702 332 F N 0.105 120.090 119.950 0.058 0.000 2.880 332 F HA 0.189 4.716 4.527 -0.000 0.000 0.328 332 F C 1.403 177.023 175.800 -0.300 0.000 1.146 332 F CA -0.367 57.530 58.000 -0.172 0.000 1.135 332 F CB 0.318 39.245 39.000 -0.121 0.000 1.151 332 F HN 0.201 nan 8.300 nan 0.000 0.523 333 M N -0.092 119.536 119.600 0.047 0.000 2.195 333 M HA -0.258 4.222 4.480 -0.000 0.000 0.260 333 M C 2.231 178.535 176.300 0.008 0.000 1.066 333 M CA 2.165 57.479 55.300 0.023 0.000 1.089 333 M CB -0.883 31.734 32.600 0.029 0.000 1.377 333 M HN 0.456 nan 8.290 nan 0.000 0.411 334 H N -1.590 117.518 119.070 0.063 0.000 2.421 334 H HA -0.048 4.508 4.556 -0.000 0.000 0.298 334 H C 1.856 177.228 175.328 0.072 0.000 1.087 334 H CA 1.187 57.268 56.048 0.055 0.000 1.330 334 H CB -0.957 28.839 29.762 0.056 0.000 1.388 334 H HN 0.125 nan 8.280 nan 0.000 0.526 335 V N 1.768 121.498 119.914 -0.307 0.000 2.237 335 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 335 V C -0.248 175.822 176.094 -0.040 0.000 1.046 335 V CA 2.155 64.370 62.300 -0.141 0.000 1.007 335 V CB -1.208 30.509 31.823 -0.176 0.000 0.638 335 V HN 0.454 nan 8.190 nan 0.000 0.445 336 P HA -0.142 nan 4.420 nan 0.000 0.216 336 P C 1.546 178.852 177.300 0.010 0.000 1.150 336 P CA 1.274 64.371 63.100 -0.006 0.000 0.837 336 P CB -0.069 31.629 31.700 -0.003 0.000 0.786 337 E N -0.248 119.964 120.200 0.020 0.000 2.051 337 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 337 E C 2.162 178.780 176.600 0.030 0.000 0.991 337 E CA 1.013 57.431 56.400 0.031 0.000 0.799 337 E CB -0.981 28.746 29.700 0.046 0.000 0.748 337 E HN 0.331 nan 8.360 nan 0.000 0.449 338 L N 0.876 122.122 121.223 0.038 0.000 2.201 338 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 338 L C 2.420 179.296 176.870 0.010 0.000 1.105 338 L CA 0.659 55.518 54.840 0.031 0.000 0.775 338 L CB -0.259 41.831 42.059 0.052 0.000 0.913 338 L HN 0.005 nan 8.230 nan 0.000 0.440 339 S N -0.363 115.345 115.700 0.013 0.000 2.423 339 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 339 S C 1.977 176.583 174.600 0.010 0.000 1.014 339 S CA 0.913 59.120 58.200 0.013 0.000 0.965 339 S CB -0.144 63.071 63.200 0.025 0.000 0.785 339 S HN 0.397 nan 8.310 nan 0.000 0.495 340 R N 0.633 121.141 120.500 0.012 0.000 2.189 340 R HA 0.116 4.455 4.340 -0.000 0.000 0.223 340 R C 1.535 177.838 176.300 0.005 0.000 1.092 340 R CA 0.906 57.013 56.100 0.012 0.000 0.989 340 R CB -0.262 30.048 30.300 0.016 0.000 0.876 340 R HN 0.442 nan 8.270 nan 0.000 0.457 341 M N -0.626 118.972 119.600 -0.003 0.000 2.494 341 M HA 0.172 4.652 4.480 -0.000 0.000 0.232 341 M C 0.692 176.970 176.300 -0.037 0.000 1.137 341 M CA 0.457 55.750 55.300 -0.013 0.000 1.012 341 M CB 1.149 33.745 32.600 -0.008 0.000 1.567 341 M HN 0.420 nan 8.290 nan 0.000 0.486 342 G N 0.556 109.326 108.800 -0.051 0.000 2.179 342 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 342 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 342 G C 0.208 174.953 174.900 -0.258 0.000 0.990 342 G CA -0.094 44.939 45.100 -0.112 0.000 0.646 342 G HN 0.654 nan 8.290 nan 0.000 0.517 343 A N 0.518 123.240 122.820 -0.163 0.000 2.425 343 A HA 0.581 4.901 4.320 -0.000 0.000 0.242 343 A C 0.120 177.613 177.584 -0.152 0.000 1.077 343 A CA 0.093 52.025 52.037 -0.175 0.000 0.781 343 A CB 0.151 19.123 19.000 -0.048 0.000 1.020 343 A HN 0.506 nan 8.150 nan 0.000 0.494 344 H N 0.378 119.486 119.070 0.062 0.000 2.638 344 H HA 0.642 5.198 4.556 -0.000 0.000 0.303 344 H C -0.106 175.294 175.328 0.120 0.000 1.034 344 H CA 0.226 56.330 56.048 0.094 0.000 1.225 344 H CB 0.943 30.779 29.762 0.123 0.000 1.394 344 H HN 0.867 nan 8.280 nan 0.000 0.477 345 A N 3.323 126.261 122.820 0.196 0.000 2.572 345 A HA 0.615 4.935 4.320 -0.000 0.000 0.295 345 A C -0.728 176.892 177.584 0.060 0.000 1.072 345 A CA -0.922 51.173 52.037 0.095 0.000 0.691 345 A CB 2.244 21.258 19.000 0.023 0.000 1.291 345 A HN 0.614 nan 8.150 nan 0.000 0.404 346 E N 1.302 121.511 120.200 0.015 0.000 2.312 346 E HA 0.674 5.023 4.350 -0.000 0.000 0.267 346 E C -1.435 175.100 176.600 -0.108 0.000 0.894 346 E CA -0.666 55.719 56.400 -0.025 0.000 0.773 346 E CB 2.010 31.716 29.700 0.011 0.000 1.241 346 E HN 0.486 nan 8.360 nan 0.000 0.432 347 I N 1.414 121.899 120.570 -0.141 0.000 2.382 347 I HA 0.202 4.372 4.170 -0.000 0.000 0.286 347 I C -0.331 175.686 176.117 -0.166 0.000 1.002 347 I CA -0.689 60.467 61.300 -0.240 0.000 1.135 347 I CB 1.424 39.238 38.000 -0.310 0.000 1.288 347 I HN 0.243 nan 8.210 nan 0.000 0.448 348 E N 5.013 125.114 120.200 -0.165 0.000 2.141 348 E HA 0.364 4.714 4.350 -0.000 0.000 0.259 348 E C 0.123 176.663 176.600 -0.098 0.000 0.883 348 E CA -0.064 56.270 56.400 -0.110 0.000 0.744 348 E CB 1.774 31.413 29.700 -0.102 0.000 1.150 348 E HN 0.745 nan 8.360 nan 0.000 0.420 349 S N 3.867 119.530 115.700 -0.062 0.000 4.139 349 S HA -0.353 4.117 4.470 -0.000 0.000 0.603 349 S C 0.657 175.263 174.600 0.009 0.000 1.897 349 S CA 2.177 60.366 58.200 -0.018 0.000 4.241 349 S CB -1.092 62.099 63.200 -0.015 0.000 0.221 349 S HN 0.821 nan 8.310 nan 0.000 0.488 350 N N 0.406 119.138 118.700 0.054 0.000 2.321 350 N HA 0.386 5.126 4.740 -0.000 0.000 0.242 350 N C -0.637 174.971 175.510 0.164 0.000 1.141 350 N CA 0.066 53.234 53.050 0.197 0.000 0.864 350 N CB 0.953 39.572 38.487 0.220 0.000 1.100 350 N HN 0.301 nan 8.380 nan 0.000 0.510 351 T N 0.335 114.858 114.554 -0.051 0.000 2.848 351 T HA 0.285 4.635 4.350 -0.000 0.000 0.285 351 T C -1.022 173.526 174.700 -0.253 0.000 0.995 351 T CA -0.671 61.393 62.100 -0.061 0.000 0.970 351 T CB 2.353 71.177 68.868 -0.072 0.000 0.976 351 T HN 0.025 nan 8.240 nan 0.000 0.441 352 V N 5.562 125.338 119.914 -0.231 0.000 2.394 352 V HA 0.578 4.698 4.120 -0.000 0.000 0.282 352 V C -0.625 175.433 176.094 -0.060 0.000 1.031 352 V CA -0.813 61.340 62.300 -0.245 0.000 0.881 352 V CB 0.401 32.061 31.823 -0.270 0.000 0.982 352 V HN 0.807 nan 8.190 nan 0.000 0.451 353 I N 7.257 127.773 120.570 -0.089 0.000 2.312 353 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 353 I C -0.251 175.735 176.117 -0.218 0.000 1.008 353 I CA -0.258 60.985 61.300 -0.096 0.000 1.226 353 I CB 0.842 38.787 38.000 -0.091 0.000 1.371 353 I HN 0.517 nan 8.210 nan 0.000 0.468 354 C N 5.356 124.512 119.300 -0.240 0.000 2.355 354 C HA 0.466 4.926 4.460 -0.000 0.000 0.332 354 C C 0.010 174.750 174.990 -0.416 0.000 1.255 354 C CA -0.673 58.208 59.018 -0.228 0.000 1.792 354 C CB 0.307 28.012 27.740 -0.058 0.000 2.300 354 C HN 0.624 nan 8.230 nan 0.000 0.515 355 H N 1.289 120.413 119.070 0.090 0.000 2.792 355 H HA 0.316 4.872 4.556 0.000 0.000 0.298 355 H C 0.490 175.882 175.328 0.106 0.000 1.042 355 H CA -0.052 56.053 56.048 0.095 0.000 1.300 355 H CB 1.112 30.933 29.762 0.097 0.000 1.431 355 H HN 0.950 nan 8.280 nan 0.000 0.496 356 G N 2.326 111.211 108.800 0.143 0.000 2.340 356 G HA2 0.275 4.235 3.960 -0.000 0.000 0.245 356 G HA3 0.275 4.235 3.960 -0.000 0.000 0.245 356 G C 0.607 175.567 174.900 0.100 0.000 1.294 356 G CA -0.208 44.947 45.100 0.091 0.000 0.896 356 G HN 0.457 nan 8.290 nan 0.000 0.522 357 V N 0.365 120.309 119.914 0.050 0.000 2.975 357 V HA 0.552 4.672 4.120 -0.000 0.000 0.318 357 V C 1.036 177.137 176.094 0.012 0.000 1.077 357 V CA -0.706 61.612 62.300 0.031 0.000 1.000 357 V CB 2.100 33.890 31.823 -0.055 0.000 1.066 357 V HN 0.643 nan 8.190 nan 0.000 0.452 358 E N 1.318 121.526 120.200 0.014 0.000 2.072 358 E HA -0.006 4.344 4.350 -0.000 0.000 0.190 358 E C 0.377 176.976 176.600 -0.002 0.000 0.982 358 E CA 1.435 57.841 56.400 0.010 0.000 0.803 358 E CB 0.224 29.934 29.700 0.016 0.000 0.755 358 E HN 0.877 nan 8.360 nan 0.000 0.453 359 K N -0.704 119.689 120.400 -0.011 0.000 2.546 359 K HA 0.392 4.712 4.320 -0.000 0.000 0.264 359 K C -0.688 175.893 176.600 -0.031 0.000 0.937 359 K CA -0.647 55.629 56.287 -0.018 0.000 0.833 359 K CB 1.149 33.643 32.500 -0.010 0.000 1.378 359 K HN -0.159 nan 8.250 nan 0.000 0.432 360 L N 1.064 122.267 121.223 -0.032 0.000 2.431 360 L HA 0.448 4.788 4.340 -0.000 0.000 0.260 360 L C -0.167 176.688 176.870 -0.025 0.000 1.098 360 L CA -0.914 53.903 54.840 -0.038 0.000 0.800 360 L CB 1.682 43.721 42.059 -0.034 0.000 1.210 360 L HN 0.721 nan 8.230 nan 0.000 0.465 361 S N -0.523 115.163 115.700 -0.023 0.000 2.473 361 S HA 0.517 4.987 4.470 -0.000 0.000 0.307 361 S C 0.127 174.723 174.600 -0.006 0.000 1.094 361 S CA -0.786 57.407 58.200 -0.012 0.000 1.070 361 S CB 1.612 64.807 63.200 -0.009 0.000 1.019 361 S HN 0.806 nan 8.310 nan 0.000 0.480 362 G N 1.288 110.087 108.800 -0.002 0.000 2.474 362 G HA2 0.477 4.437 3.960 -0.000 0.000 0.233 362 G HA3 0.477 4.437 3.960 -0.000 0.000 0.233 362 G C -0.123 174.782 174.900 0.008 0.000 1.278 362 G CA 0.237 45.340 45.100 0.004 0.000 0.861 362 G HN 1.118 nan 8.290 nan 0.000 0.567 363 A N 1.679 124.506 122.820 0.013 0.000 2.536 363 A HA 0.671 4.991 4.320 -0.000 0.000 0.293 363 A C -0.661 176.936 177.584 0.022 0.000 1.119 363 A CA -0.787 51.259 52.037 0.015 0.000 0.654 363 A CB 0.809 19.817 19.000 0.013 0.000 1.291 363 A HN 0.673 nan 8.150 nan 0.000 0.439 364 Q N 0.380 120.194 119.800 0.023 0.000 2.294 364 Q HA 0.514 4.854 4.340 -0.000 0.000 0.257 364 Q C -0.229 175.788 176.000 0.028 0.000 0.955 364 Q CA -0.537 55.282 55.803 0.027 0.000 0.936 364 Q CB 1.489 30.242 28.738 0.025 0.000 1.188 364 Q HN 0.949 nan 8.270 nan 0.000 0.420 365 V N -0.338 119.596 119.914 0.033 0.000 3.102 365 V HA 0.677 4.797 4.120 -0.000 0.000 0.312 365 V C -0.764 175.352 176.094 0.036 0.000 1.135 365 V CA -1.253 61.067 62.300 0.033 0.000 1.022 365 V CB 2.245 34.089 31.823 0.035 0.000 1.056 365 V HN 0.843 nan 8.190 nan 0.000 0.436 366 M N 2.914 122.534 119.600 0.033 0.000 2.181 366 M HA 0.790 5.270 4.480 -0.000 0.000 0.323 366 M C -0.041 176.271 176.300 0.020 0.000 1.004 366 M CA -0.565 54.755 55.300 0.033 0.000 0.941 366 M CB 1.408 34.029 32.600 0.036 0.000 1.579 366 M HN 1.202 nan 8.290 nan 0.000 0.427 367 A N 2.901 125.731 122.820 0.018 0.000 2.371 367 A HA 0.562 4.882 4.320 -0.000 0.000 0.257 367 A C 0.674 178.195 177.584 -0.106 0.000 1.089 367 A CA 0.228 52.254 52.037 -0.019 0.000 0.794 367 A CB 0.118 19.119 19.000 0.002 0.000 1.029 367 A HN 0.965 nan 8.150 nan 0.000 0.488 368 T N -2.469 111.890 114.554 -0.325 0.000 3.147 368 T HA 0.199 4.549 4.350 -0.000 0.000 0.275 368 T C -0.402 173.806 174.700 -0.820 0.000 0.879 368 T CA 0.386 62.063 62.100 -0.704 0.000 0.863 368 T CB 0.059 68.747 68.868 -0.299 0.000 1.236 368 T HN 0.592 nan 8.240 nan 0.000 0.582 369 D N 1.040 121.171 120.400 -0.449 0.000 2.620 369 D HA 0.310 4.950 4.640 -0.000 0.000 0.252 369 D C 1.017 177.241 176.300 -0.127 0.000 1.207 369 D CA -0.622 53.221 54.000 -0.262 0.000 0.884 369 D CB 2.106 42.810 40.800 -0.159 0.000 1.262 369 D HN -0.025 nan 8.370 nan 0.000 0.552 370 L N 4.601 125.776 121.223 -0.081 0.000 2.113 370 L HA -0.243 4.097 4.340 -0.000 0.000 0.221 370 L C 1.875 178.777 176.870 0.054 0.000 1.084 370 L CA 1.989 56.833 54.840 0.007 0.000 0.787 370 L CB -0.052 41.992 42.059 -0.025 0.000 0.893 370 L HN 0.438 nan 8.230 nan 0.000 0.440 371 R N -2.244 118.269 120.500 0.021 0.000 2.194 371 R HA 0.320 4.660 4.340 -0.000 0.000 0.194 371 R C 2.059 178.425 176.300 0.109 0.000 0.985 371 R CA 0.961 57.126 56.100 0.109 0.000 1.104 371 R CB -0.988 29.314 30.300 0.004 0.000 1.092 371 R HN 0.364 nan 8.270 nan 0.000 0.555 372 A N 1.058 123.869 122.820 -0.015 0.000 1.940 372 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 372 A C 2.064 179.596 177.584 -0.086 0.000 1.176 372 A CA 1.839 53.815 52.037 -0.102 0.000 0.631 372 A CB -0.446 18.453 19.000 -0.168 0.000 0.814 372 A HN 0.222 nan 8.150 nan 0.000 0.446 373 S N -0.260 115.419 115.700 -0.036 0.000 2.515 373 S HA 0.121 4.591 4.470 -0.000 0.000 0.231 373 S C 2.015 176.597 174.600 -0.030 0.000 0.987 373 S CA 0.653 58.840 58.200 -0.022 0.000 0.936 373 S CB -0.299 62.883 63.200 -0.030 0.000 0.766 373 S HN 0.777 nan 8.310 nan 0.000 0.528 374 A N 1.907 124.690 122.820 -0.062 0.000 2.076 374 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 374 A C 2.290 179.772 177.584 -0.169 0.000 1.160 374 A CA 1.783 53.692 52.037 -0.213 0.000 0.653 374 A CB -0.818 17.885 19.000 -0.495 0.000 0.801 374 A HN 0.635 nan 8.150 nan 0.000 0.455 375 S N -0.116 115.519 115.700 -0.107 0.000 2.423 375 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 375 S C 1.799 176.372 174.600 -0.045 0.000 1.014 375 S CA 1.227 59.377 58.200 -0.083 0.000 0.965 375 S CB -0.652 62.509 63.200 -0.065 0.000 0.785 375 S HN 0.497 nan 8.310 nan 0.000 0.495 376 L N 1.062 122.273 121.223 -0.019 0.000 2.056 376 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 376 L C 2.689 179.557 176.870 -0.004 0.000 1.078 376 L CA 0.882 55.727 54.840 0.008 0.000 0.749 376 L CB -0.831 41.246 42.059 0.031 0.000 0.901 376 L HN 0.237 nan 8.230 nan 0.000 0.433 377 V N -0.131 119.771 119.914 -0.020 0.000 2.295 377 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 377 V C 2.475 178.518 176.094 -0.086 0.000 1.049 377 V CA 1.484 63.758 62.300 -0.045 0.000 1.024 377 V CB -0.481 31.290 31.823 -0.086 0.000 0.648 377 V HN 0.230 nan 8.190 nan 0.000 0.447 378 L N 0.595 121.751 121.223 -0.112 0.000 2.042 378 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 378 L C 2.633 179.463 176.870 -0.067 0.000 1.076 378 L CA 2.352 57.128 54.840 -0.107 0.000 0.749 378 L CB -1.255 40.726 42.059 -0.130 0.000 0.893 378 L HN 0.306 nan 8.230 nan 0.000 0.432 379 A N -0.635 122.156 122.820 -0.048 0.000 1.908 379 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 379 A C 2.439 180.008 177.584 -0.026 0.000 1.181 379 A CA 1.727 53.747 52.037 -0.029 0.000 0.627 379 A CB -1.419 17.574 19.000 -0.011 0.000 0.818 379 A HN 0.458 nan 8.150 nan 0.000 0.445 380 G N -0.898 107.888 108.800 -0.024 0.000 2.442 380 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 380 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 380 G C 1.548 176.431 174.900 -0.029 0.000 1.141 380 G CA 1.333 46.422 45.100 -0.018 0.000 0.763 380 G HN 0.536 nan 8.290 nan 0.000 0.554 381 C N 0.640 119.914 119.300 -0.044 0.000 2.422 381 C HA 0.053 4.513 4.460 -0.000 0.000 0.279 381 C C 2.582 177.553 174.990 -0.032 0.000 1.305 381 C CA 0.873 59.865 59.018 -0.043 0.000 1.757 381 C CB -0.903 26.805 27.740 -0.053 0.000 1.962 381 C HN 0.665 nan 8.230 nan 0.000 0.499 382 I N -1.478 119.073 120.570 -0.031 0.000 4.057 382 I HA 0.396 4.566 4.170 -0.000 0.000 0.334 382 I C 0.993 177.098 176.117 -0.021 0.000 1.308 382 I CA -0.145 61.139 61.300 -0.025 0.000 1.125 382 I CB -0.358 37.624 38.000 -0.028 0.000 1.034 382 I HN 0.052 nan 8.210 nan 0.000 0.401 383 A N 1.747 124.556 122.820 -0.019 0.000 2.332 383 A HA 0.289 4.609 4.320 -0.000 0.000 0.258 383 A C -0.020 177.557 177.584 -0.011 0.000 1.087 383 A CA -0.199 51.829 52.037 -0.015 0.000 0.802 383 A CB 0.298 19.291 19.000 -0.013 0.000 1.042 383 A HN 0.407 nan 8.150 nan 0.000 0.489 384 E N 0.285 120.479 120.200 -0.010 0.000 2.104 384 E HA 0.457 4.807 4.350 -0.000 0.000 0.278 384 E C 0.764 177.362 176.600 -0.003 0.000 1.127 384 E CA 1.493 57.889 56.400 -0.006 0.000 0.897 384 E CB -0.438 29.259 29.700 -0.005 0.000 1.043 384 E HN 1.467 nan 8.360 nan 0.000 0.410 385 G N 3.150 111.948 108.800 -0.002 0.000 2.443 385 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.209 385 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.209 385 G C -0.521 174.381 174.900 0.003 0.000 1.176 385 G CA -0.337 44.763 45.100 0.001 0.000 1.074 385 G HN 0.553 nan 8.290 nan 0.000 0.577 386 T N 1.466 116.024 114.554 0.007 0.000 2.779 386 T HA 0.678 5.028 4.350 -0.000 0.000 0.280 386 T C -0.300 174.410 174.700 0.015 0.000 0.987 386 T CA 0.252 62.358 62.100 0.011 0.000 0.966 386 T CB 1.541 70.417 68.868 0.014 0.000 0.933 386 T HN 0.707 nan 8.240 nan 0.000 0.442 387 T N 2.800 117.366 114.554 0.020 0.000 2.807 387 T HA 0.534 4.884 4.350 -0.000 0.000 0.279 387 T C -0.381 174.346 174.700 0.045 0.000 0.993 387 T CA -0.524 61.593 62.100 0.027 0.000 0.970 387 T CB 1.271 70.153 68.868 0.022 0.000 0.950 387 T HN 0.311 nan 8.240 nan 0.000 0.441 388 V N 3.945 123.887 119.914 0.047 0.000 2.357 388 V HA 0.362 4.482 4.120 -0.000 0.000 0.284 388 V C -0.147 175.986 176.094 0.066 0.000 1.018 388 V CA -0.760 61.577 62.300 0.062 0.000 0.841 388 V CB 1.610 33.461 31.823 0.047 0.000 0.991 388 V HN 0.713 nan 8.190 nan 0.000 0.437 389 V N 4.174 124.146 119.914 0.096 0.000 2.334 389 V HA 0.282 4.402 4.120 -0.000 0.000 0.267 389 V C 0.101 176.220 176.094 0.042 0.000 1.040 389 V CA -0.423 61.928 62.300 0.085 0.000 0.866 389 V CB 1.292 33.199 31.823 0.140 0.000 1.019 389 V HN 0.855 nan 8.190 nan 0.000 0.468 390 D N 4.013 124.432 120.400 0.031 0.000 2.341 390 D HA 0.286 4.926 4.640 -0.000 0.000 0.245 390 D C 0.836 177.147 176.300 0.018 0.000 1.106 390 D CA -0.106 53.906 54.000 0.021 0.000 0.905 390 D CB 0.476 41.298 40.800 0.036 0.000 1.202 390 D HN 0.557 nan 8.370 nan 0.000 0.426 391 R N 2.319 122.834 120.500 0.024 0.000 3.515 391 R HA -0.137 4.203 4.340 -0.000 0.000 0.292 391 R C 0.921 177.168 176.300 -0.088 0.000 1.148 391 R CA 0.678 56.826 56.100 0.080 0.000 0.786 391 R CB -2.085 28.293 30.300 0.130 0.000 1.327 391 R HN 0.655 nan 8.270 nan 0.000 0.454 392 I N -1.095 119.400 120.570 -0.124 0.000 3.334 392 I HA -0.121 4.049 4.170 -0.000 0.000 0.282 392 I C 1.668 177.682 176.117 -0.171 0.000 1.313 392 I CA 0.587 61.762 61.300 -0.208 0.000 1.396 392 I CB -0.592 37.104 38.000 -0.507 0.000 1.054 392 I HN 0.381 nan 8.210 nan 0.000 0.495 393 Y N 0.150 120.353 120.300 -0.162 0.000 2.333 393 Y HA -0.191 4.359 4.550 -0.000 0.000 0.290 393 Y C 2.426 178.252 175.900 -0.124 0.000 1.144 393 Y CA 1.124 59.125 58.100 -0.165 0.000 1.228 393 Y CB -1.369 36.961 38.460 -0.217 0.000 0.985 393 Y HN 0.149 nan 8.280 nan 0.000 0.542 394 H N 0.949 119.646 119.070 -0.623 0.000 2.290 394 H HA -0.148 4.408 4.556 -0.000 0.000 0.298 394 H C 2.325 177.590 175.328 -0.105 0.000 1.087 394 H CA 2.199 58.022 56.048 -0.375 0.000 1.291 394 H CB -0.392 29.117 29.762 -0.420 0.000 1.369 394 H HN 0.460 nan 8.280 nan 0.000 0.492 395 I N 1.017 121.629 120.570 0.071 0.000 2.361 395 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 395 I C 1.787 178.023 176.117 0.199 0.000 1.133 395 I CA 1.071 62.474 61.300 0.171 0.000 1.413 395 I CB -0.175 37.920 38.000 0.159 0.000 1.073 395 I HN 0.086 nan 8.210 nan 0.000 0.424 396 D N 0.797 121.267 120.400 0.115 0.000 2.263 396 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 396 D C 2.216 178.577 176.300 0.101 0.000 0.971 396 D CA 0.903 54.972 54.000 0.116 0.000 0.867 396 D CB -0.168 40.679 40.800 0.079 0.000 0.929 396 D HN 0.363 nan 8.370 nan 0.000 0.492 397 R N -0.267 120.285 120.500 0.087 0.000 2.193 397 R HA 0.070 4.410 4.340 -0.000 0.000 0.213 397 R C 2.060 178.377 176.300 0.028 0.000 1.055 397 R CA 1.032 57.168 56.100 0.060 0.000 0.995 397 R CB 0.081 30.416 30.300 0.058 0.000 0.893 397 R HN 0.129 nan 8.270 nan 0.000 0.459 398 G N -1.188 107.634 108.800 0.036 0.000 2.748 398 G HA2 0.057 4.017 3.960 -0.000 0.000 0.204 398 G HA3 0.057 4.017 3.960 -0.000 0.000 0.204 398 G C -0.156 174.540 174.900 -0.341 0.000 1.095 398 G CA -0.081 44.934 45.100 -0.141 0.000 0.775 398 G HN 0.076 nan 8.290 nan 0.000 0.531 399 Y N 0.074 120.405 120.300 0.051 0.000 2.425 399 Y HA 0.451 5.001 4.550 -0.000 0.000 0.344 399 Y C -0.191 175.761 175.900 0.088 0.000 0.969 399 Y CA -1.163 56.978 58.100 0.068 0.000 1.052 399 Y CB 1.996 40.492 38.460 0.060 0.000 1.215 399 Y HN -0.031 nan 8.280 nan 0.000 0.451 400 E N 4.109 124.444 120.200 0.226 0.000 2.104 400 E HA 0.185 4.535 4.350 -0.000 0.000 0.278 400 E C -0.377 176.334 176.600 0.185 0.000 1.127 400 E CA -0.287 56.213 56.400 0.166 0.000 0.897 400 E CB 0.209 29.979 29.700 0.116 0.000 1.043 400 E HN 0.647 nan 8.360 nan 0.000 0.410 401 R N 3.905 124.507 120.500 0.170 0.000 3.022 401 R HA -0.215 4.125 4.340 -0.000 0.000 0.248 401 R C 0.935 177.334 176.300 0.165 0.000 0.874 401 R CA 0.255 56.449 56.100 0.157 0.000 0.626 401 R CB -1.252 29.113 30.300 0.108 0.000 1.255 401 R HN 0.779 nan 8.270 nan 0.000 0.496 402 I N 1.111 121.794 120.570 0.188 0.000 2.546 402 I HA -0.233 3.937 4.170 -0.000 0.000 0.255 402 I C 2.441 178.572 176.117 0.024 0.000 1.163 402 I CA 1.651 63.034 61.300 0.138 0.000 1.457 402 I CB -0.010 37.998 38.000 0.013 0.000 1.092 402 I HN 0.508 nan 8.210 nan 0.000 0.434 403 E N 0.395 120.562 120.200 -0.055 0.000 2.150 403 E HA -0.250 4.099 4.350 -0.000 0.000 0.193 403 E C 1.135 177.696 176.600 -0.065 0.000 0.985 403 E CA 1.259 57.545 56.400 -0.190 0.000 0.814 403 E CB -0.439 29.096 29.700 -0.276 0.000 0.752 403 E HN 0.485 nan 8.360 nan 0.000 0.466 404 D N 1.811 122.212 120.400 0.001 0.000 2.117 404 D HA -0.082 4.558 4.640 -0.000 0.000 0.198 404 D C 1.900 178.189 176.300 -0.017 0.000 0.982 404 D CA 1.194 55.194 54.000 -0.000 0.000 0.828 404 D CB -0.115 40.696 40.800 0.019 0.000 0.967 404 D HN 0.290 nan 8.370 nan 0.000 0.464 405 K N 0.326 120.725 120.400 -0.001 0.000 2.097 405 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 405 K C 2.334 178.907 176.600 -0.045 0.000 1.050 405 K CA 0.474 56.718 56.287 -0.072 0.000 0.938 405 K CB -0.053 32.370 32.500 -0.129 0.000 0.718 405 K HN 0.139 nan 8.250 nan 0.000 0.442 406 L N 0.437 121.689 121.223 0.048 0.000 2.109 406 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 406 L C 2.711 179.567 176.870 -0.023 0.000 1.086 406 L CA 0.966 55.832 54.840 0.044 0.000 0.760 406 L CB -0.249 41.807 42.059 -0.006 0.000 0.910 406 L HN 0.144 nan 8.230 nan 0.000 0.437 407 R N 0.333 120.807 120.500 -0.044 0.000 2.075 407 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 407 R C 2.175 178.451 176.300 -0.040 0.000 1.126 407 R CA 1.287 57.360 56.100 -0.045 0.000 0.963 407 R CB -0.233 30.041 30.300 -0.043 0.000 0.858 407 R HN 0.313 nan 8.270 nan 0.000 0.435 408 A N 0.088 122.880 122.820 -0.047 0.000 2.225 408 A HA -0.040 4.280 4.320 -0.000 0.000 0.215 408 A C 1.582 179.131 177.584 -0.058 0.000 1.164 408 A CA 0.861 52.865 52.037 -0.055 0.000 0.710 408 A CB -0.199 18.759 19.000 -0.070 0.000 0.780 408 A HN 0.357 nan 8.150 nan 0.000 0.473 409 L N -2.287 118.906 121.223 -0.049 0.000 2.766 409 L HA 0.325 4.665 4.340 -0.000 0.000 0.242 409 L C 1.444 178.297 176.870 -0.028 0.000 1.136 409 L CA 0.540 55.356 54.840 -0.040 0.000 0.933 409 L CB 0.429 42.473 42.059 -0.025 0.000 1.241 409 L HN 0.497 nan 8.230 nan 0.000 0.522 410 G N 0.060 108.842 108.800 -0.029 0.000 2.192 410 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.193 410 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.193 410 G C 0.353 175.236 174.900 -0.027 0.000 0.999 410 G CA -0.169 44.916 45.100 -0.026 0.000 0.659 410 G HN 0.370 nan 8.290 nan 0.000 0.503 411 A N 0.169 122.969 122.820 -0.033 0.000 2.425 411 A HA 0.574 4.894 4.320 -0.000 0.000 0.249 411 A C 0.478 178.034 177.584 -0.046 0.000 1.084 411 A CA 0.218 52.229 52.037 -0.043 0.000 0.781 411 A CB 0.359 19.324 19.000 -0.059 0.000 1.019 411 A HN 0.507 nan 8.150 nan 0.000 0.490 412 N N 2.038 120.713 118.700 -0.042 0.000 2.558 412 N HA 0.376 5.116 4.740 -0.000 0.000 0.233 412 N C -1.282 174.201 175.510 -0.046 0.000 1.038 412 N CA 0.023 53.051 53.050 -0.035 0.000 0.934 412 N CB 0.184 38.658 38.487 -0.022 0.000 1.175 412 N HN 0.644 nan 8.380 nan 0.000 0.512 413 I N 1.072 121.606 120.570 -0.060 0.000 2.656 413 I HA 0.384 4.554 4.170 -0.000 0.000 0.292 413 I C -1.314 174.776 176.117 -0.045 0.000 1.144 413 I CA -0.591 60.654 61.300 -0.091 0.000 1.038 413 I CB 2.025 39.895 38.000 -0.216 0.000 1.244 413 I HN 0.334 nan 8.210 nan 0.000 0.420 414 E N 6.764 126.978 120.200 0.024 0.000 2.314 414 E HA 0.358 4.708 4.350 -0.000 0.000 0.272 414 E C -1.455 175.286 176.600 0.235 0.000 0.884 414 E CA -0.949 55.507 56.400 0.093 0.000 0.753 414 E CB 2.268 32.008 29.700 0.067 0.000 1.213 414 E HN 0.596 nan 8.360 nan 0.000 0.432 415 R N 3.724 124.374 120.500 0.249 0.000 2.198 415 R HA 0.327 4.667 4.340 -0.000 0.000 0.339 415 R C -0.503 175.867 176.300 0.118 0.000 1.020 415 R CA -0.391 55.871 56.100 0.270 0.000 0.864 415 R CB 0.718 31.181 30.300 0.270 0.000 1.105 415 R HN 0.328 nan 8.270 nan 0.000 0.463 416 V N 1.971 121.931 119.914 0.077 0.000 2.994 416 V HA 0.551 4.670 4.120 -0.000 0.000 0.318 416 V C -0.413 175.687 176.094 0.010 0.000 1.085 416 V CA -0.790 61.535 62.300 0.040 0.000 0.998 416 V CB 2.131 33.979 31.823 0.042 0.000 1.063 416 V HN 0.701 nan 8.190 nan 0.000 0.447 417 K N 2.943 123.347 120.400 0.007 0.000 2.981 417 K HA 0.363 4.683 4.320 -0.000 0.000 0.213 417 K C 0.641 177.238 176.600 -0.004 0.000 1.154 417 K CA 0.288 56.572 56.287 -0.004 0.000 1.111 417 K CB 0.431 32.929 32.500 -0.003 0.000 0.975 417 K HN 0.995 nan 8.250 nan 0.000 0.462 418 G N 0.000 108.800 108.800 -0.001 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 45.101 45.100 0.001 0.000 0.502 418 G HN 0.000 nan 8.290 nan 0.000 0.925