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 1ejd_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGCAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE 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 0.000 176.280 176.300 -0.033 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.041 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.021 0.000 1.302 2 D N 4.429 124.799 120.400 -0.050 0.000 2.423 2 D HA 0.398 5.043 4.640 0.008 0.000 0.238 2 D C -0.743 175.485 176.300 -0.120 0.000 1.142 2 D CA 0.625 54.575 54.000 -0.082 0.000 0.884 2 D CB 0.726 41.455 40.800 -0.118 0.000 1.199 2 D HN 0.414 nan 8.370 nan 0.000 0.438 3 K N 0.517 120.843 120.400 -0.124 0.000 2.480 3 K HA 0.514 4.839 4.320 0.008 0.000 0.258 3 K C -1.118 175.445 176.600 -0.063 0.000 0.990 3 K CA -0.870 55.352 56.287 -0.109 0.000 0.857 3 K CB 1.655 34.150 32.500 -0.009 0.000 1.384 3 K HN 0.136 nan 8.250 nan 0.000 0.446 4 F N 1.447 121.403 119.950 0.010 0.000 2.444 4 F HA 0.411 4.940 4.527 0.003 0.000 0.342 4 F C 0.154 175.955 175.800 0.001 0.000 1.121 4 F CA -0.931 57.070 58.000 0.002 0.000 0.997 4 F CB 1.592 40.586 39.000 -0.010 0.000 1.130 4 F HN 0.252 nan 8.300 nan 0.000 0.454 5 R N 3.438 124.068 120.500 0.215 0.000 2.255 5 R HA 0.714 5.059 4.340 0.008 0.000 0.326 5 R C -1.712 174.620 176.300 0.054 0.000 0.986 5 R CA -0.346 55.816 56.100 0.105 0.000 0.847 5 R CB 1.020 31.366 30.300 0.077 0.000 1.111 5 R HN 0.487 nan 8.270 nan 0.000 0.452 6 V N 4.447 124.379 119.914 0.032 0.000 2.555 6 V HA 0.331 4.456 4.120 0.008 0.000 0.302 6 V C -0.472 175.620 176.094 -0.005 0.000 1.038 6 V CA -0.861 61.434 62.300 -0.009 0.000 0.887 6 V CB 1.921 33.731 31.823 -0.023 0.000 0.991 6 V HN 0.759 nan 8.190 nan 0.000 0.434 7 Q N 2.067 121.858 119.800 -0.015 0.000 2.333 7 Q HA 0.683 5.028 4.340 0.008 0.000 0.268 7 Q C 0.060 176.052 176.000 -0.014 0.000 1.007 7 Q CA -0.329 55.468 55.803 -0.009 0.000 0.810 7 Q CB 2.433 31.167 28.738 -0.008 0.000 1.264 7 Q HN 0.978 nan 8.270 nan 0.000 0.452 8 G N 2.440 111.234 108.800 -0.011 0.000 2.816 8 G HA2 0.711 4.675 3.960 0.008 0.000 0.288 8 G HA3 0.711 4.675 3.960 0.008 0.000 0.288 8 G C -2.837 172.058 174.900 -0.009 0.000 1.334 8 G CA -1.337 43.755 45.100 -0.012 0.000 0.978 8 G HN 0.337 nan 8.290 nan 0.000 0.493 9 P HA 0.373 nan 4.420 nan 0.000 0.286 9 P C -0.679 176.613 177.300 -0.012 0.000 1.261 9 P CA -0.093 63.000 63.100 -0.012 0.000 0.821 9 P CB 1.665 33.359 31.700 -0.011 0.000 1.013 10 T N -0.814 113.731 114.554 -0.015 0.000 2.933 10 T HA 0.475 4.830 4.350 0.008 0.000 0.305 10 T C -0.478 174.214 174.700 -0.013 0.000 1.092 10 T CA -1.049 61.042 62.100 -0.014 0.000 1.008 10 T CB 1.729 70.587 68.868 -0.018 0.000 1.102 10 T HN 0.428 nan 8.240 nan 0.000 0.469 11 R N 2.499 122.992 120.500 -0.011 0.000 2.265 11 R HA 0.567 4.912 4.340 0.008 0.000 0.314 11 R C -0.742 175.553 176.300 -0.008 0.000 1.053 11 R CA -0.749 55.345 56.100 -0.010 0.000 0.931 11 R CB 0.298 30.593 30.300 -0.009 0.000 1.024 11 R HN 0.696 nan 8.270 nan 0.000 0.457 12 L N 6.172 127.392 121.223 -0.004 0.000 2.265 12 L HA 0.316 4.660 4.340 0.008 0.000 0.288 12 L C -0.177 176.696 176.870 0.005 0.000 1.058 12 L CA -0.218 54.626 54.840 0.007 0.000 0.809 12 L CB 1.059 43.133 42.059 0.025 0.000 1.179 12 L HN 0.731 nan 8.230 nan 0.000 0.429 13 Q N 2.892 122.690 119.800 -0.003 0.000 2.435 13 Q HA 0.838 5.182 4.340 0.008 0.000 0.282 13 Q C -0.474 175.512 176.000 -0.023 0.000 1.020 13 Q CA -0.677 55.118 55.803 -0.013 0.000 0.820 13 Q CB 2.967 31.693 28.738 -0.020 0.000 1.436 13 Q HN 0.674 nan 8.270 nan 0.000 0.395 14 G N 1.143 109.924 108.800 -0.032 0.000 2.247 14 G HA2 0.042 4.006 3.960 0.008 0.000 0.229 14 G HA3 0.042 4.006 3.960 0.008 0.000 0.229 14 G C -1.672 173.193 174.900 -0.058 0.000 1.345 14 G CA -0.668 44.405 45.100 -0.046 0.000 1.100 14 G HN 0.635 nan 8.290 nan 0.000 0.473 15 E N -1.194 118.960 120.200 -0.076 0.000 2.256 15 E HA 0.626 4.981 4.350 0.008 0.000 0.267 15 E C -1.235 175.282 176.600 -0.139 0.000 0.892 15 E CA -0.878 55.467 56.400 -0.093 0.000 0.775 15 E CB 3.107 32.755 29.700 -0.087 0.000 1.207 15 E HN 0.751 nan 8.360 nan 0.000 0.420 16 V N 1.655 121.464 119.914 -0.176 0.000 2.841 16 V HA 0.411 4.536 4.120 0.008 0.000 0.310 16 V C -1.172 174.797 176.094 -0.208 0.000 1.090 16 V CA -0.291 61.831 62.300 -0.295 0.000 0.930 16 V CB 2.407 33.850 31.823 -0.632 0.000 1.014 16 V HN 0.707 nan 8.190 nan 0.000 0.425 17 T N 7.673 122.117 114.554 -0.183 0.000 2.749 17 T HA 0.520 4.875 4.350 0.008 0.000 0.287 17 T C -0.153 174.493 174.700 -0.090 0.000 0.970 17 T CA -0.228 61.812 62.100 -0.099 0.000 0.980 17 T CB 0.535 69.363 68.868 -0.067 0.000 0.924 17 T HN 0.461 nan 8.240 nan 0.000 0.456 18 I N 3.157 123.706 120.570 -0.035 0.000 2.529 18 I HA 0.195 4.369 4.170 0.008 0.000 0.284 18 I C 1.095 177.224 176.117 0.020 0.000 1.082 18 I CA -0.060 61.252 61.300 0.020 0.000 1.406 18 I CB 0.700 38.730 38.000 0.050 0.000 1.405 18 I HN 0.549 nan 8.210 nan 0.000 0.548 19 S N 3.820 119.545 115.700 0.042 0.000 2.652 19 S HA 0.524 4.998 4.470 0.008 0.000 0.270 19 S C 0.601 175.203 174.600 0.004 0.000 1.243 19 S CA -0.625 57.588 58.200 0.022 0.000 0.999 19 S CB 1.423 64.647 63.200 0.040 0.000 0.973 19 S HN 0.845 nan 8.310 nan 0.000 0.544 20 G N 0.289 109.080 108.800 -0.016 0.000 2.544 20 G HA2 0.456 4.420 3.960 0.008 0.000 0.242 20 G HA3 0.456 4.420 3.960 0.008 0.000 0.242 20 G C -0.110 174.772 174.900 -0.030 0.000 1.247 20 G CA -0.445 44.638 45.100 -0.029 0.000 0.840 20 G HN 0.897 nan 8.290 nan 0.000 0.578 21 A N 1.580 124.379 122.820 -0.035 0.000 2.451 21 A HA 0.290 4.615 4.320 0.008 0.000 0.266 21 A C 1.600 179.162 177.584 -0.036 0.000 1.119 21 A CA -0.216 51.796 52.037 -0.042 0.000 0.786 21 A CB 0.502 19.476 19.000 -0.043 0.000 1.061 21 A HN 0.811 nan 8.150 nan 0.000 0.503 22 K N 2.494 122.873 120.400 -0.034 0.000 2.103 22 K HA -0.170 4.154 4.320 0.008 0.000 0.207 22 K C 0.900 177.515 176.600 0.026 0.000 1.048 22 K CA 2.112 58.395 56.287 -0.008 0.000 0.930 22 K CB -0.134 32.362 32.500 -0.007 0.000 0.716 22 K HN 0.876 nan 8.250 nan 0.000 0.444 23 N N -0.507 118.207 118.700 0.023 0.000 2.461 23 N HA -0.013 4.731 4.740 0.008 0.000 0.188 23 N C 0.993 176.514 175.510 0.019 0.000 1.134 23 N CA 0.219 53.312 53.050 0.073 0.000 0.878 23 N CB 0.391 38.919 38.487 0.069 0.000 0.972 23 N HN 0.196 nan 8.380 nan 0.000 0.456 24 A N 0.381 123.184 122.820 -0.029 0.000 2.026 24 A HA 0.425 4.749 4.320 0.008 0.000 0.201 24 A C 2.164 179.683 177.584 -0.107 0.000 1.318 24 A CA 0.439 52.432 52.037 -0.074 0.000 0.857 24 A CB -0.333 18.638 19.000 -0.048 0.000 0.939 24 A HN 0.220 nan 8.150 nan 0.000 0.476 25 A N 0.392 123.166 122.820 -0.078 0.000 1.902 25 A HA -0.042 4.282 4.320 0.008 0.000 0.217 25 A C 2.116 179.634 177.584 -0.110 0.000 1.181 25 A CA 1.531 53.502 52.037 -0.110 0.000 0.623 25 A CB -0.677 18.275 19.000 -0.079 0.000 0.818 25 A HN 0.443 nan 8.150 nan 0.000 0.443 26 L N -0.105 121.116 121.223 -0.004 0.000 1.994 26 L HA -0.114 4.230 4.340 0.008 0.000 0.208 26 L C -0.288 176.631 176.870 0.081 0.000 1.071 26 L CA 1.716 56.631 54.840 0.126 0.000 0.745 26 L CB -1.419 40.881 42.059 0.401 0.000 0.892 26 L HN 0.290 nan 8.230 nan 0.000 0.431 27 P HA -0.173 nan 4.420 nan 0.000 0.218 27 P C 1.799 178.926 177.300 -0.288 0.000 1.149 27 P CA 1.613 64.377 63.100 -0.561 0.000 0.817 27 P CB 0.034 31.171 31.700 -0.938 0.000 0.785 28 I N -0.866 119.511 120.570 -0.321 0.000 2.353 28 I HA -0.182 3.993 4.170 0.008 0.000 0.248 28 I C 2.561 178.405 176.117 -0.456 0.000 1.119 28 I CA 1.004 61.990 61.300 -0.524 0.000 1.417 28 I CB -0.520 37.048 38.000 -0.719 0.000 1.078 28 I HN -0.158 nan 8.210 nan 0.000 0.421 29 L N -0.535 120.493 121.223 -0.325 0.000 2.083 29 L HA -0.205 4.140 4.340 0.008 0.000 0.209 29 L C 2.391 179.113 176.870 -0.245 0.000 1.083 29 L CA 1.432 56.085 54.840 -0.311 0.000 0.752 29 L CB -0.525 41.314 42.059 -0.367 0.000 0.899 29 L HN 0.129 nan 8.230 nan 0.000 0.433 30 F N -0.146 119.787 119.950 -0.029 0.000 2.206 30 F HA -0.088 4.443 4.527 0.007 0.000 0.298 30 F C 2.570 178.402 175.800 0.052 0.000 1.090 30 F CA 0.965 58.994 58.000 0.049 0.000 1.323 30 F CB -0.781 38.288 39.000 0.115 0.000 1.028 30 F HN -0.024 nan 8.300 nan 0.000 0.492 31 A N -0.000 122.924 122.820 0.173 0.000 2.019 31 A HA -0.029 4.295 4.320 0.008 0.000 0.219 31 A C 2.345 180.096 177.584 0.279 0.000 1.164 31 A CA 1.373 53.531 52.037 0.201 0.000 0.644 31 A CB -1.168 17.969 19.000 0.229 0.000 0.805 31 A HN 0.274 nan 8.150 nan 0.000 0.449 32 A N -0.358 122.609 122.820 0.244 0.000 2.125 32 A HA 0.024 4.349 4.320 0.008 0.000 0.219 32 A C 1.919 179.618 177.584 0.193 0.000 1.156 32 A CA 1.138 53.330 52.037 0.259 0.000 0.671 32 A CB -0.556 18.527 19.000 0.139 0.000 0.794 32 A HN 0.498 nan 8.150 nan 0.000 0.459 33 L N -0.861 120.484 121.223 0.202 0.000 2.362 33 L HA -0.101 4.244 4.340 0.008 0.000 0.219 33 L C 2.002 179.001 176.870 0.216 0.000 1.134 33 L CA 0.535 55.526 54.840 0.251 0.000 0.807 33 L CB -0.287 41.962 42.059 0.318 0.000 0.927 33 L HN 0.406 nan 8.230 nan 0.000 0.447 34 L N -0.480 120.823 121.223 0.134 0.000 2.418 34 L HA 0.089 4.433 4.340 0.008 0.000 0.218 34 L C 1.351 178.220 176.870 -0.002 0.000 1.125 34 L CA -0.335 54.522 54.840 0.028 0.000 0.835 34 L CB -0.351 41.711 42.059 0.005 0.000 0.953 34 L HN 0.117 nan 8.230 nan 0.000 0.454 35 A N 0.366 123.215 122.820 0.048 0.000 2.409 35 A HA 0.123 4.447 4.320 0.008 0.000 0.267 35 A C 0.970 178.580 177.584 0.043 0.000 1.127 35 A CA -0.252 51.800 52.037 0.025 0.000 0.795 35 A CB 0.183 19.216 19.000 0.056 0.000 1.061 35 A HN 0.303 nan 8.150 nan 0.000 0.502 36 E N 1.370 121.579 120.200 0.014 0.000 2.481 36 E HA -0.014 4.340 4.350 0.008 0.000 0.195 36 E C -0.098 176.529 176.600 0.045 0.000 1.047 36 E CA 0.602 57.019 56.400 0.029 0.000 0.867 36 E CB 0.326 30.027 29.700 0.002 0.000 0.858 36 E HN 0.833 nan 8.360 nan 0.000 0.513 37 E N 0.442 120.667 120.200 0.042 0.000 2.359 37 E HA 0.315 4.670 4.350 0.008 0.000 0.266 37 E C -2.686 173.957 176.600 0.072 0.000 0.920 37 E CA -2.549 53.882 56.400 0.051 0.000 0.788 37 E CB 1.652 31.373 29.700 0.036 0.000 1.279 37 E HN -0.168 nan 8.360 nan 0.000 0.438 38 P HA 0.001 nan 4.420 nan 0.000 0.267 38 P C -1.076 176.300 177.300 0.126 0.000 1.200 38 P CA 0.110 63.279 63.100 0.114 0.000 0.772 38 P CB 0.498 32.270 31.700 0.120 0.000 0.855 39 V N 2.183 122.186 119.914 0.148 0.000 2.789 39 V HA 0.354 4.479 4.120 0.008 0.000 0.311 39 V C -0.161 175.998 176.094 0.108 0.000 1.073 39 V CA -0.567 61.821 62.300 0.148 0.000 0.921 39 V CB 2.080 34.021 31.823 0.196 0.000 1.009 39 V HN 0.492 nan 8.190 nan 0.000 0.426 40 E N 3.785 124.011 120.200 0.043 0.000 2.165 40 E HA 0.545 4.899 4.350 0.008 0.000 0.266 40 E C -1.440 175.055 176.600 -0.176 0.000 0.889 40 E CA -0.561 55.712 56.400 -0.211 0.000 0.756 40 E CB 1.395 30.966 29.700 -0.215 0.000 1.131 40 E HN 0.636 nan 8.360 nan 0.000 0.411 41 I N 4.821 125.223 120.570 -0.279 0.000 2.328 41 I HA 0.162 4.336 4.170 0.008 0.000 0.287 41 I C 0.208 176.156 176.117 -0.282 0.000 1.012 41 I CA -0.479 60.701 61.300 -0.200 0.000 1.195 41 I CB 1.302 39.167 38.000 -0.225 0.000 1.350 41 I HN 0.413 nan 8.210 nan 0.000 0.464 42 Q N 4.125 123.799 119.800 -0.210 0.000 2.221 42 Q HA 0.280 4.624 4.340 0.008 0.000 0.242 42 Q C 0.324 176.229 176.000 -0.159 0.000 0.940 42 Q CA -0.707 54.967 55.803 -0.215 0.000 0.896 42 Q CB 0.765 29.400 28.738 -0.172 0.000 1.226 42 Q HN 0.558 nan 8.270 nan 0.000 0.463 43 N N -0.430 118.188 118.700 -0.136 0.000 2.758 43 N HA -0.159 4.585 4.740 0.008 0.000 0.248 43 N C -1.779 173.679 175.510 -0.088 0.000 1.076 43 N CA 0.238 53.231 53.050 -0.095 0.000 0.696 43 N CB -0.918 37.517 38.487 -0.086 0.000 0.979 43 N HN 0.321 nan 8.380 nan 0.000 0.550 44 V N 1.864 121.717 119.914 -0.102 0.000 2.406 44 V HA 0.430 4.555 4.120 0.008 0.000 0.272 44 V C -1.411 174.651 176.094 -0.054 0.000 1.043 44 V CA -1.131 61.116 62.300 -0.088 0.000 0.915 44 V CB 1.323 33.076 31.823 -0.116 0.000 0.988 44 V HN 0.205 nan 8.190 nan 0.000 0.466 45 P HA 0.161 nan 4.420 nan 0.000 0.272 45 P C -0.785 176.514 177.300 -0.002 0.000 1.230 45 P CA -0.462 62.632 63.100 -0.009 0.000 0.788 45 P CB 0.916 32.616 31.700 -0.001 0.000 0.949 46 K N 2.317 122.726 120.400 0.016 0.000 2.244 46 K HA 0.433 4.757 4.320 0.008 0.000 0.263 46 K C -0.266 176.354 176.600 0.034 0.000 1.103 46 K CA -0.193 56.107 56.287 0.022 0.000 0.966 46 K CB -0.048 32.469 32.500 0.029 0.000 1.429 46 K HN 0.426 nan 8.250 nan 0.000 0.434 47 L N 1.236 122.476 121.223 0.027 0.000 2.376 47 L HA 0.317 4.662 4.340 0.008 0.000 0.258 47 L C 1.385 178.274 176.870 0.031 0.000 1.013 47 L CA -0.891 53.971 54.840 0.038 0.000 0.822 47 L CB 1.803 43.884 42.059 0.037 0.000 1.388 47 L HN 0.375 nan 8.230 nan 0.000 0.413 48 K N 0.496 120.919 120.400 0.038 0.000 2.034 48 K HA -0.232 4.093 4.320 0.008 0.000 0.214 48 K C 0.995 177.612 176.600 0.028 0.000 1.051 48 K CA 2.379 58.685 56.287 0.031 0.000 0.931 48 K CB 0.104 32.626 32.500 0.037 0.000 0.715 48 K HN 0.652 nan 8.250 nan 0.000 0.446 49 D N 0.498 120.921 120.400 0.038 0.000 2.218 49 D HA -0.144 4.501 4.640 0.008 0.000 0.204 49 D C 1.847 178.168 176.300 0.036 0.000 0.976 49 D CA 0.782 54.811 54.000 0.049 0.000 0.853 49 D CB -0.031 40.810 40.800 0.069 0.000 0.939 49 D HN 0.251 nan 8.370 nan 0.000 0.481 50 I N 1.209 121.789 120.570 0.016 0.000 2.252 50 I HA -0.173 4.002 4.170 0.008 0.000 0.245 50 I C 1.679 177.783 176.117 -0.022 0.000 1.102 50 I CA 1.072 62.362 61.300 -0.015 0.000 1.385 50 I CB -0.814 37.175 38.000 -0.020 0.000 1.064 50 I HN -0.062 nan 8.210 nan 0.000 0.414 51 D N 0.721 121.119 120.400 -0.004 0.000 2.117 51 D HA -0.129 4.516 4.640 0.008 0.000 0.197 51 D C 2.175 178.471 176.300 -0.005 0.000 0.987 51 D CA 1.539 55.536 54.000 -0.004 0.000 0.829 51 D CB -0.255 40.548 40.800 0.004 0.000 0.961 51 D HN 0.251 nan 8.370 nan 0.000 0.460 52 T N 0.254 114.812 114.554 0.006 0.000 2.746 52 T HA -0.110 4.245 4.350 0.008 0.000 0.267 52 T C 2.016 176.727 174.700 0.019 0.000 1.039 52 T CA 1.636 63.745 62.100 0.015 0.000 1.142 52 T CB -0.468 68.417 68.868 0.029 0.000 0.866 52 T HN 0.146 nan 8.240 nan 0.000 0.444 53 T N 2.265 116.818 114.554 -0.002 0.000 2.746 53 T HA 0.010 4.365 4.350 0.008 0.000 0.267 53 T C 2.066 176.689 174.700 -0.128 0.000 1.039 53 T CA 1.082 63.125 62.100 -0.094 0.000 1.142 53 T CB -0.340 68.382 68.868 -0.243 0.000 0.866 53 T HN 0.326 nan 8.240 nan 0.000 0.444 54 M N 0.558 120.104 119.600 -0.090 0.000 2.159 54 M HA -0.089 4.396 4.480 0.008 0.000 0.263 54 M C 2.322 178.601 176.300 -0.035 0.000 1.063 54 M CA 1.598 56.858 55.300 -0.066 0.000 1.110 54 M CB -0.372 32.205 32.600 -0.037 0.000 1.374 54 M HN 0.154 nan 8.290 nan 0.000 0.411 55 K N 0.522 120.910 120.400 -0.020 0.000 2.057 55 K HA -0.112 4.213 4.320 0.008 0.000 0.206 55 K C 1.967 178.566 176.600 -0.001 0.000 1.050 55 K CA 1.103 57.384 56.287 -0.009 0.000 0.935 55 K CB -0.298 32.199 32.500 -0.005 0.000 0.715 55 K HN 0.306 nan 8.250 nan 0.000 0.439 56 L N 1.300 122.533 121.223 0.016 0.000 2.017 56 L HA -0.194 4.151 4.340 0.008 0.000 0.208 56 L C 2.058 178.951 176.870 0.039 0.000 1.073 56 L CA 1.270 56.141 54.840 0.052 0.000 0.745 56 L CB -0.138 42.003 42.059 0.138 0.000 0.894 56 L HN 0.186 nan 8.230 nan 0.000 0.432 57 L N -0.796 120.430 121.223 0.005 0.000 2.083 57 L HA -0.214 4.131 4.340 0.008 0.000 0.209 57 L C 2.490 179.353 176.870 -0.012 0.000 1.083 57 L CA 1.714 56.552 54.840 -0.003 0.000 0.752 57 L CB -0.937 41.091 42.059 -0.050 0.000 0.899 57 L HN 0.279 nan 8.230 nan 0.000 0.433 58 T N -1.308 113.236 114.554 -0.017 0.000 2.788 58 T HA -0.239 4.115 4.350 0.008 0.000 0.268 58 T C 1.872 176.550 174.700 -0.036 0.000 1.044 58 T CA 1.080 63.167 62.100 -0.022 0.000 1.139 58 T CB -0.141 68.718 68.868 -0.016 0.000 0.867 58 T HN 0.300 nan 8.240 nan 0.000 0.454 59 Q N 0.242 120.023 119.800 -0.033 0.000 2.364 59 Q HA 0.047 4.391 4.340 0.008 0.000 0.207 59 Q C 1.916 177.865 176.000 -0.086 0.000 0.970 59 Q CA 0.695 56.469 55.803 -0.049 0.000 0.888 59 Q CB -0.157 28.562 28.738 -0.032 0.000 0.951 59 Q HN 0.529 nan 8.270 nan 0.000 0.469 60 L N -1.685 119.486 121.223 -0.087 0.000 2.492 60 L HA 0.101 4.446 4.340 0.008 0.000 0.223 60 L C 1.296 178.037 176.870 -0.216 0.000 1.132 60 L CA 0.732 55.473 54.840 -0.164 0.000 0.850 60 L CB 0.205 42.202 42.059 -0.104 0.000 0.966 60 L HN 0.373 nan 8.230 nan 0.000 0.454 61 G N -0.401 108.318 108.800 -0.134 0.000 2.175 61 G HA2 -0.202 3.763 3.960 0.008 0.000 0.182 61 G HA3 -0.202 3.763 3.960 0.008 0.000 0.182 61 G C 0.232 175.094 174.900 -0.064 0.000 1.003 61 G CA -0.087 44.942 45.100 -0.119 0.000 0.666 61 G HN 0.203 nan 8.290 nan 0.000 0.506 62 T N 1.504 116.035 114.554 -0.038 0.000 2.907 62 T HA 0.469 4.823 4.350 0.008 0.000 0.298 62 T C 0.350 175.055 174.700 0.009 0.000 1.017 62 T CA 0.107 62.210 62.100 0.005 0.000 1.118 62 T CB 1.471 70.351 68.868 0.020 0.000 0.948 62 T HN 0.266 nan 8.240 nan 0.000 0.531 63 K N 2.285 122.702 120.400 0.028 0.000 2.262 63 K HA 0.533 4.858 4.320 0.008 0.000 0.282 63 K C -0.965 175.665 176.600 0.050 0.000 1.066 63 K CA -0.519 55.786 56.287 0.030 0.000 0.901 63 K CB 1.023 33.543 32.500 0.032 0.000 1.089 63 K HN 0.286 nan 8.250 nan 0.000 0.476 64 V N 3.112 123.052 119.914 0.044 0.000 2.656 64 V HA 0.382 4.506 4.120 0.008 0.000 0.307 64 V C -0.638 175.504 176.094 0.080 0.000 1.051 64 V CA -0.891 61.447 62.300 0.064 0.000 0.893 64 V CB 1.918 33.758 31.823 0.028 0.000 0.999 64 V HN 0.776 nan 8.190 nan 0.000 0.426 65 E N 3.262 123.551 120.200 0.148 0.000 2.390 65 E HA 0.792 5.147 4.350 0.008 0.000 0.277 65 E C -1.005 175.777 176.600 0.303 0.000 0.939 65 E CA -1.093 55.407 56.400 0.166 0.000 0.769 65 E CB 3.197 32.962 29.700 0.109 0.000 1.251 65 E HN 0.808 nan 8.360 nan 0.000 0.450 66 R N 0.174 120.827 120.500 0.256 0.000 2.781 66 R HA 0.395 4.739 4.340 0.008 0.000 0.269 66 R C -0.593 175.879 176.300 0.287 0.000 1.025 66 R CA -0.672 55.609 56.100 0.302 0.000 0.914 66 R CB 0.671 31.043 30.300 0.120 0.000 1.236 66 R HN 0.517 nan 8.270 nan 0.000 0.465 67 D N 0.744 121.317 120.400 0.288 0.000 1.992 67 D HA 0.041 4.686 4.640 0.008 0.000 0.280 67 D C 1.377 177.741 176.300 0.107 0.000 1.060 67 D CA 1.059 55.184 54.000 0.209 0.000 0.877 67 D CB -1.012 39.915 40.800 0.212 0.000 1.010 67 D HN 0.630 nan 8.370 nan 0.000 0.385 68 G N -1.121 107.706 108.800 0.046 0.000 2.744 68 G HA2 0.184 4.148 3.960 0.008 0.000 0.211 68 G HA3 0.184 4.148 3.960 0.008 0.000 0.211 68 G C 0.431 175.254 174.900 -0.129 0.000 1.146 68 G CA 0.109 45.191 45.100 -0.029 0.000 0.787 68 G HN 0.352 nan 8.290 nan 0.000 0.534 69 S N -0.977 114.564 115.700 -0.264 0.000 2.681 69 S HA 0.658 5.133 4.470 0.008 0.000 0.299 69 S C -0.736 173.533 174.600 -0.551 0.000 1.113 69 S CA -0.475 57.385 58.200 -0.566 0.000 1.013 69 S CB 2.432 64.958 63.200 -1.123 0.000 1.076 69 S HN -0.047 nan 8.310 nan 0.000 0.534 70 V N 1.859 121.465 119.914 -0.512 0.000 2.487 70 V HA 0.394 4.519 4.120 0.008 0.000 0.298 70 V C -1.035 174.876 176.094 -0.305 0.000 1.028 70 V CA -0.626 61.531 62.300 -0.238 0.000 0.860 70 V CB 1.304 33.042 31.823 -0.142 0.000 0.991 70 V HN 0.781 nan 8.190 nan 0.000 0.427 71 W N 5.592 126.889 121.300 -0.005 0.000 2.429 71 W HA 0.666 5.330 4.660 0.007 0.000 0.314 71 W C -0.630 175.893 176.519 0.006 0.000 1.062 71 W CA -0.557 56.793 57.345 0.008 0.000 1.211 71 W CB 1.770 31.235 29.460 0.010 0.000 1.305 71 W HN 0.383 nan 8.180 nan 0.000 0.476 72 I N 2.995 123.678 120.570 0.189 0.000 2.498 72 I HA 0.153 4.328 4.170 0.008 0.000 0.290 72 I C -0.576 175.621 176.117 0.133 0.000 1.032 72 I CA -0.431 60.945 61.300 0.127 0.000 1.073 72 I CB 2.289 40.332 38.000 0.073 0.000 1.251 72 I HN 0.152 nan 8.210 nan 0.000 0.426 73 D N 5.552 126.018 120.400 0.110 0.000 2.440 73 D HA 0.436 5.080 4.640 0.008 0.000 0.252 73 D C -0.254 176.102 176.300 0.095 0.000 1.180 73 D CA -0.331 53.730 54.000 0.101 0.000 0.894 73 D CB 1.919 42.770 40.800 0.085 0.000 1.111 73 D HN 0.598 nan 8.370 nan 0.000 0.544 74 A N 2.715 125.606 122.820 0.118 0.000 2.833 74 A HA 0.203 4.528 4.320 0.008 0.000 0.293 74 A C 1.430 179.123 177.584 0.182 0.000 1.338 74 A CA 0.028 52.155 52.037 0.150 0.000 0.959 74 A CB -0.329 18.791 19.000 0.200 0.000 1.094 74 A HN 0.423 nan 8.150 nan 0.000 0.569 75 S N -0.984 114.795 115.700 0.131 0.000 2.527 75 S HA -0.015 4.459 4.470 0.008 0.000 0.222 75 S C 0.696 175.373 174.600 0.127 0.000 0.985 75 S CA 0.807 59.087 58.200 0.134 0.000 0.921 75 S CB -0.427 62.828 63.200 0.091 0.000 0.772 75 S HN 0.670 nan 8.310 nan 0.000 0.529 76 N N 0.944 119.694 118.700 0.085 0.000 2.351 76 N HA 0.281 5.026 4.740 0.008 0.000 0.254 76 N C -1.199 174.292 175.510 -0.032 0.000 1.241 76 N CA -0.245 52.828 53.050 0.038 0.000 0.883 76 N CB 1.341 39.837 38.487 0.015 0.000 1.202 76 N HN 0.094 nan 8.380 nan 0.000 0.512 77 V N 2.634 122.519 119.914 -0.049 0.000 2.540 77 V HA -0.029 4.095 4.120 0.008 0.000 0.297 77 V C 0.673 176.515 176.094 -0.419 0.000 1.024 77 V CA 0.540 62.678 62.300 -0.270 0.000 1.105 77 V CB 0.330 31.915 31.823 -0.396 0.000 0.938 77 V HN 0.578 nan 8.190 nan 0.000 0.482 78 N N 2.161 120.542 118.700 -0.532 0.000 2.116 78 N HA 0.121 4.866 4.740 0.008 0.000 0.230 78 N C -0.319 174.629 175.510 -0.938 0.000 1.326 78 N CA -0.429 52.275 53.050 -0.576 0.000 0.867 78 N CB 0.186 38.527 38.487 -0.243 0.000 1.174 78 N HN 0.581 nan 8.380 nan 0.000 0.506 79 N N -0.039 117.986 118.700 -1.125 0.000 2.249 79 N HA 0.419 5.163 4.740 0.008 0.000 0.296 79 N C -1.656 173.218 175.510 -1.061 0.000 1.051 79 N CA -0.729 51.790 53.050 -0.884 0.000 0.815 79 N CB 0.966 39.212 38.487 -0.403 0.000 1.487 79 N HN 0.026 nan 8.380 nan 0.000 0.475 80 F N 0.437 120.330 119.950 -0.095 0.000 2.850 80 F HA 0.420 4.952 4.527 0.008 0.000 0.329 80 F C 0.567 176.348 175.800 -0.032 0.000 1.182 80 F CA -0.526 57.432 58.000 -0.069 0.000 1.270 80 F CB 0.410 39.377 39.000 -0.055 0.000 0.979 80 F HN 0.292 nan 8.300 nan 0.000 0.506 81 S N 1.109 116.825 115.700 0.028 0.000 2.532 81 S HA 0.835 5.309 4.470 0.008 0.000 0.299 81 S C -0.600 174.005 174.600 0.009 0.000 1.105 81 S CA -0.460 57.751 58.200 0.018 0.000 1.018 81 S CB 1.135 64.322 63.200 -0.021 0.000 1.021 81 S HN 0.199 nan 8.310 nan 0.000 0.483 82 A N 6.462 129.299 122.820 0.028 0.000 2.280 82 A HA 0.681 5.006 4.320 0.008 0.000 0.320 82 A C -2.524 175.079 177.584 0.032 0.000 1.366 82 A CA -1.683 50.376 52.037 0.036 0.000 0.938 82 A CB 0.207 19.239 19.000 0.052 0.000 1.157 82 A HN 0.651 nan 8.150 nan 0.000 0.536 83 P HA -0.022 nan 4.420 nan 0.000 0.274 83 P C 0.312 177.663 177.300 0.085 0.000 1.231 83 P CA -0.060 63.072 63.100 0.052 0.000 0.790 83 P CB 0.670 32.389 31.700 0.033 0.000 0.951 84 Y N 2.520 122.818 120.300 -0.003 0.000 2.151 84 Y HA -0.277 4.278 4.550 0.008 0.000 0.284 84 Y C 1.821 177.720 175.900 -0.001 0.000 1.166 84 Y CA 2.216 60.317 58.100 0.001 0.000 1.163 84 Y CB -0.733 37.731 38.460 0.006 0.000 0.974 84 Y HN 0.304 nan 8.280 nan 0.000 0.511 85 D N -0.077 120.300 120.400 -0.038 0.000 2.264 85 D HA -0.123 4.521 4.640 0.008 0.000 0.208 85 D C 1.829 178.051 176.300 -0.131 0.000 0.966 85 D CA 1.354 55.275 54.000 -0.130 0.000 0.864 85 D CB -0.080 40.714 40.800 -0.009 0.000 0.933 85 D HN 0.437 nan 8.370 nan 0.000 0.499 86 L N 0.393 121.570 121.223 -0.077 0.000 2.607 86 L HA 0.052 4.397 4.340 0.008 0.000 0.228 86 L C 1.937 178.777 176.870 -0.049 0.000 1.123 86 L CA 0.073 54.885 54.840 -0.048 0.000 0.890 86 L CB 0.539 42.593 42.059 -0.008 0.000 1.103 86 L HN -0.059 nan 8.230 nan 0.000 0.468 87 V N -3.535 116.322 119.914 -0.095 0.000 3.539 87 V HA 0.036 4.161 4.120 0.008 0.000 0.262 87 V C 2.085 178.091 176.094 -0.148 0.000 1.381 87 V CA 0.222 62.474 62.300 -0.080 0.000 1.060 87 V CB 0.033 31.834 31.823 -0.037 0.000 0.842 87 V HN 0.407 nan 8.190 nan 0.000 0.445 88 K N 1.335 121.550 120.400 -0.309 0.000 2.360 88 K HA -0.155 4.170 4.320 0.008 0.000 0.201 88 K C 1.735 178.217 176.600 -0.196 0.000 1.046 88 K CA 1.998 58.062 56.287 -0.370 0.000 0.940 88 K CB -0.542 31.457 32.500 -0.835 0.000 0.748 88 K HN 0.517 nan 8.250 nan 0.000 0.465 89 T N -0.537 113.928 114.554 -0.149 0.000 3.069 89 T HA 0.205 4.560 4.350 0.008 0.000 0.252 89 T C -0.035 174.637 174.700 -0.047 0.000 1.053 89 T CA -0.465 61.584 62.100 -0.084 0.000 0.964 89 T CB -0.083 68.742 68.868 -0.072 0.000 1.005 89 T HN 0.320 nan 8.240 nan 0.000 0.532 90 M N 1.294 120.862 119.600 -0.054 0.000 2.215 90 M HA 0.385 4.869 4.480 0.008 0.000 0.251 90 M C 0.532 176.782 176.300 -0.083 0.000 0.987 90 M CA -0.673 54.604 55.300 -0.037 0.000 1.025 90 M CB 1.296 33.904 32.600 0.014 0.000 2.064 90 M HN -0.058 nan 8.290 nan 0.000 0.473 91 R N 2.640 123.070 120.500 -0.116 0.000 2.152 91 R HA -0.032 4.312 4.340 0.008 0.000 0.232 91 R C 1.288 177.392 176.300 -0.327 0.000 1.117 91 R CA 2.016 58.000 56.100 -0.194 0.000 0.981 91 R CB 0.092 30.281 30.300 -0.184 0.000 0.870 91 R HN 0.839 nan 8.270 nan 0.000 0.451 92 A N 0.120 122.755 122.820 -0.309 0.000 2.178 92 A HA -0.081 4.243 4.320 0.008 0.000 0.218 92 A C 1.932 179.268 177.584 -0.414 0.000 1.157 92 A CA 1.403 53.150 52.037 -0.483 0.000 0.689 92 A CB -0.282 18.652 19.000 -0.110 0.000 0.787 92 A HN 0.403 nan 8.150 nan 0.000 0.465 93 S N -0.337 115.209 115.700 -0.256 0.000 2.440 93 S HA -0.167 4.308 4.470 0.008 0.000 0.238 93 S C 1.667 176.007 174.600 -0.434 0.000 1.010 93 S CA 1.227 59.272 58.200 -0.258 0.000 0.972 93 S CB -0.420 62.733 63.200 -0.079 0.000 0.774 93 S HN 0.628 nan 8.310 nan 0.000 0.501 94 I N 0.936 121.228 120.570 -0.464 0.000 2.530 94 I HA -0.120 4.055 4.170 0.008 0.000 0.257 94 I C 1.386 177.294 176.117 -0.347 0.000 1.179 94 I CA 0.940 61.975 61.300 -0.442 0.000 1.440 94 I CB -0.372 37.232 38.000 -0.660 0.000 1.087 94 I HN 0.369 nan 8.210 nan 0.000 0.440 95 W N 0.559 121.525 121.300 -0.556 0.000 2.721 95 W HA 0.048 4.712 4.660 0.007 0.000 0.245 95 W C 2.373 178.573 176.519 -0.532 0.000 1.276 95 W CA 0.773 57.806 57.345 -0.521 0.000 1.342 95 W CB -1.220 27.931 29.460 -0.515 0.000 1.135 95 W HN 0.315 nan 8.180 nan 0.000 0.654 96 A N -0.365 122.204 122.820 -0.419 0.000 2.016 96 A HA -0.072 4.252 4.320 0.008 0.000 0.217 96 A C 1.964 179.606 177.584 0.098 0.000 1.162 96 A CA 0.814 52.850 52.037 -0.002 0.000 0.662 96 A CB -0.566 18.491 19.000 0.095 0.000 0.812 96 A HN 0.137 nan 8.150 nan 0.000 0.450 97 L N 0.209 121.458 121.223 0.042 0.000 1.989 97 L HA -0.059 4.285 4.340 0.008 0.000 0.211 97 L C 2.463 179.400 176.870 0.112 0.000 1.071 97 L CA 2.356 57.243 54.840 0.078 0.000 0.749 97 L CB -1.078 41.003 42.059 0.037 0.000 0.890 97 L HN 0.314 nan 8.230 nan 0.000 0.431 98 G N -0.790 108.086 108.800 0.126 0.000 2.459 98 G HA2 -0.208 3.757 3.960 0.008 0.000 0.217 98 G HA3 -0.208 3.757 3.960 0.008 0.000 0.217 98 G C -0.654 174.314 174.900 0.114 0.000 1.183 98 G CA 0.931 46.102 45.100 0.117 0.000 0.776 98 G HN 0.371 nan 8.290 nan 0.000 0.552 99 P HA -0.018 nan 4.420 nan 0.000 0.216 99 P C 2.079 179.497 177.300 0.196 0.000 1.153 99 P CA 0.648 63.840 63.100 0.154 0.000 0.848 99 P CB -0.076 31.749 31.700 0.209 0.000 0.787 100 L N -1.257 120.123 121.223 0.261 0.000 2.017 100 L HA -0.144 4.201 4.340 0.008 0.000 0.208 100 L C 2.277 179.284 176.870 0.228 0.000 1.073 100 L CA 1.421 56.482 54.840 0.369 0.000 0.745 100 L CB -1.065 41.190 42.059 0.327 0.000 0.894 100 L HN -0.120 nan 8.230 nan 0.000 0.432 101 V N -0.177 119.813 119.914 0.126 0.000 2.453 101 V HA -0.197 3.928 4.120 0.008 0.000 0.247 101 V C 2.695 178.801 176.094 0.020 0.000 1.048 101 V CA 1.557 63.892 62.300 0.057 0.000 1.049 101 V CB -0.847 31.004 31.823 0.047 0.000 0.672 101 V HN 0.446 nan 8.190 nan 0.000 0.457 102 A N 0.071 122.903 122.820 0.020 0.000 1.898 102 A HA -0.211 4.113 4.320 0.008 0.000 0.216 102 A C 2.433 179.961 177.584 -0.093 0.000 1.181 102 A CA 2.072 54.095 52.037 -0.024 0.000 0.620 102 A CB -0.399 18.593 19.000 -0.012 0.000 0.819 102 A HN 0.482 nan 8.150 nan 0.000 0.442 103 R N -2.405 118.001 120.500 -0.156 0.000 2.105 103 R HA 0.128 4.473 4.340 0.008 0.000 0.214 103 R C 0.905 176.873 176.300 -0.553 0.000 1.091 103 R CA 0.888 56.740 56.100 -0.414 0.000 1.007 103 R CB -0.024 29.881 30.300 -0.658 0.000 0.912 103 R HN 0.449 nan 8.270 nan 0.000 0.450 104 F N -0.708 119.211 119.950 -0.052 0.000 2.678 104 F HA 0.394 4.926 4.527 0.007 0.000 0.305 104 F C 1.402 177.038 175.800 -0.272 0.000 1.090 104 F CA 0.488 58.382 58.000 -0.177 0.000 1.272 104 F CB 1.196 40.033 39.000 -0.271 0.000 1.060 104 F HN 0.301 nan 8.300 nan 0.000 0.576 105 G N 0.895 109.665 108.800 -0.049 0.000 2.179 105 G HA2 -0.251 3.714 3.960 0.008 0.000 0.260 105 G HA3 -0.251 3.714 3.960 0.008 0.000 0.260 105 G C 0.057 174.906 174.900 -0.085 0.000 0.977 105 G CA 0.380 45.439 45.100 -0.069 0.000 0.641 105 G HN 0.515 nan 8.290 nan 0.000 0.533 106 Q N -1.717 118.012 119.800 -0.118 0.000 2.479 106 Q HA 0.626 4.971 4.340 0.008 0.000 0.276 106 Q C -0.538 175.459 176.000 -0.004 0.000 0.989 106 Q CA -0.657 55.094 55.803 -0.086 0.000 0.864 106 Q CB 1.581 30.229 28.738 -0.150 0.000 1.444 106 Q HN 1.512 nan 8.270 nan 0.000 0.388 107 G N 0.778 109.618 108.800 0.067 0.000 2.732 107 G HA2 0.513 4.478 3.960 0.008 0.000 0.296 107 G HA3 0.513 4.478 3.960 0.008 0.000 0.296 107 G C -2.167 172.789 174.900 0.094 0.000 1.448 107 G CA -0.501 44.678 45.100 0.130 0.000 0.911 107 G HN 0.585 nan 8.290 nan 0.000 0.528 108 Q N 0.354 120.207 119.800 0.088 0.000 2.315 108 Q HA 0.660 5.005 4.340 0.008 0.000 0.273 108 Q C -1.809 174.218 176.000 0.045 0.000 1.053 108 Q CA -0.671 55.164 55.803 0.053 0.000 0.817 108 Q CB 2.932 31.659 28.738 -0.018 0.000 1.326 108 Q HN 0.498 nan 8.270 nan 0.000 0.423 109 V N 2.101 122.050 119.914 0.058 0.000 2.709 109 V HA 0.450 4.575 4.120 0.008 0.000 0.308 109 V C -0.206 175.943 176.094 0.090 0.000 1.062 109 V CA -0.734 61.592 62.300 0.043 0.000 0.901 109 V CB 1.893 33.712 31.823 -0.008 0.000 1.003 109 V HN 0.859 nan 8.190 nan 0.000 0.425 110 S N 4.786 120.543 115.700 0.095 0.000 2.585 110 S HA 0.665 5.139 4.470 0.008 0.000 0.273 110 S C -0.759 173.916 174.600 0.125 0.000 1.339 110 S CA -0.234 58.062 58.200 0.160 0.000 1.028 110 S CB 0.329 63.658 63.200 0.215 0.000 0.906 110 S HN 0.544 nan 8.310 nan 0.000 0.528 111 L N 3.891 125.194 121.223 0.134 0.000 2.439 111 L HA 0.437 4.782 4.340 0.008 0.000 0.270 111 L C -2.422 174.511 176.870 0.105 0.000 0.972 111 L CA -2.082 52.800 54.840 0.071 0.000 0.836 111 L CB 2.072 44.135 42.059 0.007 0.000 1.255 111 L HN 0.535 nan 8.230 nan 0.000 0.404 112 P HA 0.007 nan 4.420 nan 0.000 0.267 112 P C 0.316 177.657 177.300 0.068 0.000 1.201 112 P CA 0.077 63.285 63.100 0.180 0.000 0.775 112 P CB 0.623 32.407 31.700 0.139 0.000 0.854 113 G N 0.560 109.386 108.800 0.044 0.000 2.570 113 G HA2 0.528 4.493 3.960 0.008 0.000 0.276 113 G HA3 0.528 4.493 3.960 0.008 0.000 0.276 113 G C -0.010 174.894 174.900 0.007 0.000 1.346 113 G CA 0.089 45.190 45.100 0.001 0.000 1.034 113 G HN 0.809 nan 8.290 nan 0.000 0.512 114 G N -3.750 105.047 108.800 -0.004 0.000 2.339 114 G HA2 0.276 4.241 3.960 0.008 0.000 0.302 114 G HA3 0.276 4.241 3.960 0.008 0.000 0.302 114 G C -0.203 174.694 174.900 -0.006 0.000 1.425 114 G CA 0.138 45.238 45.100 -0.000 0.000 0.899 114 G HN 0.922 nan 8.290 nan 0.000 0.619 115 C N 0.503 119.802 119.300 -0.002 0.000 3.019 115 C HA 0.675 5.139 4.460 0.008 0.000 0.295 115 C C 1.722 176.712 174.990 -0.000 0.000 1.256 115 C CA 0.753 59.770 59.018 -0.003 0.000 1.706 115 C CB -0.595 27.145 27.740 -0.000 0.000 2.153 115 C HN 1.148 nan 8.230 nan 0.000 0.618 116 A N 1.990 124.811 122.820 0.003 0.000 2.366 116 A HA 0.668 4.992 4.320 0.008 0.000 0.272 116 A C -0.233 177.355 177.584 0.006 0.000 1.135 116 A CA -0.041 52.000 52.037 0.006 0.000 0.804 116 A CB -0.046 18.960 19.000 0.009 0.000 1.064 116 A HN 0.640 nan 8.150 nan 0.000 0.499 117 I N -0.460 120.116 120.570 0.011 0.000 2.569 117 I HA 0.900 5.075 4.170 0.008 0.000 0.296 117 I C 0.195 176.327 176.117 0.025 0.000 1.028 117 I CA -0.383 60.926 61.300 0.016 0.000 1.082 117 I CB 2.005 40.013 38.000 0.014 0.000 1.264 117 I HN 1.412 nan 8.210 nan 0.000 0.429 118 G N 3.459 112.281 108.800 0.038 0.000 2.907 118 G HA2 0.384 4.348 3.960 0.008 0.000 0.686 118 G HA3 0.384 4.348 3.960 0.008 0.000 0.686 118 G C 0.273 175.200 174.900 0.046 0.000 1.115 118 G CA -0.421 44.707 45.100 0.047 0.000 0.760 118 G HN 2.393 nan 8.290 nan 0.000 0.620 119 A N 0.185 123.041 122.820 0.059 0.000 2.826 119 A HA -0.180 4.145 4.320 0.008 0.000 0.274 119 A C 1.151 178.764 177.584 0.049 0.000 1.443 119 A CA 2.358 54.428 52.037 0.056 0.000 0.833 119 A CB -1.137 17.890 19.000 0.044 0.000 1.023 119 A HN 1.609 nan 8.150 nan 0.000 0.600 120 R N -1.259 119.269 120.500 0.047 0.000 2.340 120 R HA 0.331 4.675 4.340 0.008 0.000 0.300 120 R C -1.486 174.834 176.300 0.033 0.000 1.069 120 R CA -1.799 54.317 56.100 0.026 0.000 0.984 120 R CB -0.010 30.296 30.300 0.008 0.000 1.003 120 R HN 0.185 nan 8.270 nan 0.000 0.459 121 P HA -0.191 nan 4.420 nan 0.000 0.218 121 P C 1.058 178.396 177.300 0.064 0.000 1.152 121 P CA 1.068 64.185 63.100 0.029 0.000 0.857 121 P CB 0.265 31.947 31.700 -0.030 0.000 0.787 122 V N -0.447 119.450 119.914 -0.028 0.000 3.041 122 V HA -0.158 3.967 4.120 0.008 0.000 0.260 122 V C 1.712 177.825 176.094 0.033 0.000 1.105 122 V CA 1.589 63.844 62.300 -0.075 0.000 1.125 122 V CB -1.196 30.529 31.823 -0.164 0.000 0.730 122 V HN 0.111 nan 8.190 nan 0.000 0.479 123 D N 0.905 121.328 120.400 0.038 0.000 2.116 123 D HA -0.187 4.457 4.640 0.008 0.000 0.193 123 D C 2.089 178.458 176.300 0.114 0.000 0.998 123 D CA 1.355 55.364 54.000 0.016 0.000 0.836 123 D CB -0.288 40.602 40.800 0.151 0.000 0.951 123 D HN 0.345 nan 8.370 nan 0.000 0.449 124 L N 0.232 121.572 121.223 0.195 0.000 2.201 124 L HA -0.142 4.203 4.340 0.008 0.000 0.212 124 L C 2.437 179.367 176.870 0.101 0.000 1.105 124 L CA 0.920 55.862 54.840 0.171 0.000 0.775 124 L CB -0.317 41.784 42.059 0.070 0.000 0.913 124 L HN 0.231 nan 8.230 nan 0.000 0.440 125 H N -0.479 118.604 119.070 0.022 0.000 2.326 125 H HA -0.119 4.441 4.556 0.007 0.000 0.301 125 H C 2.280 177.592 175.328 -0.027 0.000 1.081 125 H CA 1.215 57.270 56.048 0.013 0.000 1.334 125 H CB 0.283 30.035 29.762 -0.016 0.000 1.385 125 H HN 0.206 nan 8.280 nan 0.000 0.504 126 I N 0.715 121.291 120.570 0.010 0.000 2.142 126 I HA -0.240 3.934 4.170 0.008 0.000 0.240 126 I C 2.269 178.296 176.117 -0.150 0.000 1.078 126 I CA 1.218 62.414 61.300 -0.173 0.000 1.343 126 I CB -1.369 36.361 38.000 -0.450 0.000 1.046 126 I HN 0.070 nan 8.210 nan 0.000 0.405 127 F N 1.172 121.155 119.950 0.055 0.000 2.325 127 F HA 0.020 4.552 4.527 0.008 0.000 0.299 127 F C 2.593 178.413 175.800 0.034 0.000 1.090 127 F CA 0.930 58.952 58.000 0.037 0.000 1.392 127 F CB -1.490 37.528 39.000 0.029 0.000 1.053 127 F HN 0.072 nan 8.300 nan 0.000 0.521 128 G N 0.206 109.118 108.800 0.188 0.000 2.402 128 G HA2 -0.170 3.795 3.960 0.008 0.000 0.216 128 G HA3 -0.170 3.795 3.960 0.008 0.000 0.216 128 G C 1.775 176.730 174.900 0.092 0.000 1.162 128 G CA 0.613 45.781 45.100 0.114 0.000 0.777 128 G HN 0.318 nan 8.290 nan 0.000 0.539 129 L N 0.069 121.342 121.223 0.083 0.000 2.093 129 L HA -0.012 4.332 4.340 0.008 0.000 0.208 129 L C 2.729 179.639 176.870 0.066 0.000 1.085 129 L CA 1.228 56.107 54.840 0.066 0.000 0.755 129 L CB -0.341 41.753 42.059 0.058 0.000 0.904 129 L HN 0.327 nan 8.230 nan 0.000 0.435 130 E N 0.398 120.649 120.200 0.086 0.000 2.077 130 E HA -0.229 4.126 4.350 0.008 0.000 0.193 130 E C 2.041 178.695 176.600 0.090 0.000 0.989 130 E CA 0.976 57.434 56.400 0.096 0.000 0.800 130 E CB 0.233 30.025 29.700 0.154 0.000 0.746 130 E HN 0.243 nan 8.360 nan 0.000 0.452 131 K N 0.325 120.785 120.400 0.099 0.000 2.209 131 K HA -0.097 4.227 4.320 0.008 0.000 0.204 131 K C 1.982 178.615 176.600 0.055 0.000 1.048 131 K CA 0.664 56.996 56.287 0.076 0.000 0.940 131 K CB -0.166 32.381 32.500 0.077 0.000 0.729 131 K HN 0.310 nan 8.250 nan 0.000 0.451 132 L N -0.224 121.030 121.223 0.051 0.000 2.599 132 L HA 0.028 4.373 4.340 0.008 0.000 0.230 132 L C 1.104 177.992 176.870 0.030 0.000 1.141 132 L CA 0.517 55.378 54.840 0.035 0.000 0.877 132 L CB -0.197 41.881 42.059 0.031 0.000 1.009 132 L HN 0.380 nan 8.230 nan 0.000 0.447 133 G N -0.497 108.325 108.800 0.036 0.000 2.179 133 G HA2 -0.216 3.749 3.960 0.008 0.000 0.220 133 G HA3 -0.216 3.749 3.960 0.008 0.000 0.220 133 G C 0.358 175.275 174.900 0.028 0.000 0.990 133 G CA -0.119 44.998 45.100 0.029 0.000 0.646 133 G HN 0.451 nan 8.290 nan 0.000 0.517 134 A N 0.130 122.970 122.820 0.033 0.000 2.371 134 A HA 0.639 4.964 4.320 0.008 0.000 0.257 134 A C 0.434 178.038 177.584 0.033 0.000 1.089 134 A CA 0.568 52.622 52.037 0.030 0.000 0.794 134 A CB 0.520 19.540 19.000 0.032 0.000 1.029 134 A HN 0.682 nan 8.150 nan 0.000 0.488 135 E N 1.677 121.894 120.200 0.028 0.000 2.227 135 E HA 0.399 4.754 4.350 0.008 0.000 0.282 135 E C -0.992 175.625 176.600 0.029 0.000 1.015 135 E CA -0.529 55.889 56.400 0.030 0.000 0.823 135 E CB 0.473 30.189 29.700 0.026 0.000 1.081 135 E HN 0.458 nan 8.360 nan 0.000 0.396 136 I N 4.570 125.156 120.570 0.026 0.000 2.377 136 I HA 0.285 4.459 4.170 0.008 0.000 0.293 136 I C -0.003 176.123 176.117 0.015 0.000 0.987 136 I CA -0.547 60.760 61.300 0.011 0.000 1.185 136 I CB 1.247 39.233 38.000 -0.024 0.000 1.341 136 I HN 0.565 nan 8.210 nan 0.000 0.455 137 K N 7.433 127.852 120.400 0.031 0.000 2.323 137 K HA 0.723 5.047 4.320 0.008 0.000 0.259 137 K C -1.784 174.811 176.600 -0.009 0.000 0.947 137 K CA -0.541 55.768 56.287 0.036 0.000 0.819 137 K CB 1.610 34.167 32.500 0.095 0.000 1.109 137 K HN 0.550 nan 8.250 nan 0.000 0.429 138 L N 3.270 124.436 121.223 -0.096 0.000 2.365 138 L HA 0.534 4.879 4.340 0.008 0.000 0.273 138 L C -0.670 175.999 176.870 -0.335 0.000 1.000 138 L CA -0.737 53.964 54.840 -0.230 0.000 0.819 138 L CB 2.137 44.096 42.059 -0.166 0.000 1.284 138 L HN 0.690 nan 8.230 nan 0.000 0.418 139 E N 1.727 121.539 120.200 -0.645 0.000 2.331 139 E HA 0.241 4.596 4.350 0.008 0.000 0.275 139 E C -1.255 175.048 176.600 -0.495 0.000 0.895 139 E CA -0.982 55.092 56.400 -0.544 0.000 0.753 139 E CB 2.478 31.809 29.700 -0.615 0.000 1.216 139 E HN 0.396 nan 8.360 nan 0.000 0.434 140 E N 0.484 120.531 120.200 -0.255 0.000 2.652 140 E HA -0.026 4.328 4.350 0.008 0.000 0.255 140 E C 0.898 177.404 176.600 -0.156 0.000 0.952 140 E CA 1.575 57.872 56.400 -0.171 0.000 0.947 140 E CB 0.697 30.335 29.700 -0.102 0.000 0.912 140 E HN 0.908 nan 8.360 nan 0.000 0.489 141 G N 2.646 111.382 108.800 -0.107 0.000 2.213 141 G HA2 -0.272 3.692 3.960 0.008 0.000 0.226 141 G HA3 -0.272 3.692 3.960 0.008 0.000 0.226 141 G C -0.306 174.657 174.900 0.105 0.000 0.992 141 G CA 0.384 45.475 45.100 -0.015 0.000 0.632 141 G HN 0.647 nan 8.290 nan 0.000 0.511 142 Y N -2.396 117.887 120.300 -0.029 0.000 2.741 142 Y HA 0.746 5.300 4.550 0.007 0.000 0.339 142 Y C -1.410 174.470 175.900 -0.033 0.000 1.226 142 Y CA -1.113 56.973 58.100 -0.022 0.000 1.072 142 Y CB 1.107 39.561 38.460 -0.010 0.000 1.331 142 Y HN 0.997 nan 8.280 nan 0.000 0.453 143 V N 2.288 122.375 119.914 0.289 0.000 2.760 143 V HA 0.689 4.814 4.120 0.008 0.000 0.309 143 V C -1.559 174.682 176.094 0.246 0.000 1.077 143 V CA -0.740 61.656 62.300 0.160 0.000 0.910 143 V CB 1.803 33.630 31.823 0.008 0.000 1.008 143 V HN 0.994 nan 8.190 nan 0.000 0.424 144 K N 5.019 125.546 120.400 0.212 0.000 2.324 144 K HA 0.897 5.222 4.320 0.008 0.000 0.253 144 K C -0.991 175.657 176.600 0.080 0.000 0.932 144 K CA -0.342 56.031 56.287 0.143 0.000 0.799 144 K CB 2.041 34.635 32.500 0.158 0.000 1.154 144 K HN 0.982 nan 8.250 nan 0.000 0.425 145 A N 2.077 124.932 122.820 0.059 0.000 2.371 145 A HA 0.686 5.011 4.320 0.008 0.000 0.311 145 A C -1.114 176.490 177.584 0.033 0.000 1.068 145 A CA -0.597 51.465 52.037 0.042 0.000 0.744 145 A CB 1.353 20.377 19.000 0.041 0.000 1.239 145 A HN 0.804 nan 8.150 nan 0.000 0.435 146 S N 0.232 115.946 115.700 0.023 0.000 2.607 146 S HA 0.847 5.321 4.470 0.008 0.000 0.273 146 S C -1.211 173.392 174.600 0.005 0.000 1.148 146 S CA -0.561 57.643 58.200 0.007 0.000 0.833 146 S CB 1.442 64.644 63.200 0.003 0.000 1.130 146 S HN 2.062 nan 8.310 nan 0.000 0.470 147 V N 0.709 120.619 119.914 -0.007 0.000 3.048 147 V HA 0.552 4.676 4.120 0.008 0.000 0.303 147 V C -1.923 174.164 176.094 -0.012 0.000 1.214 147 V CA -0.873 61.425 62.300 -0.004 0.000 0.984 147 V CB 2.242 34.063 31.823 -0.002 0.000 1.054 147 V HN 1.083 nan 8.190 nan 0.000 0.430 148 N N 3.971 122.667 118.700 -0.007 0.000 2.422 148 N HA 0.687 5.432 4.740 0.008 0.000 0.266 148 N C 0.303 175.806 175.510 -0.011 0.000 1.007 148 N CA 0.404 53.449 53.050 -0.009 0.000 0.941 148 N CB 1.599 40.084 38.487 -0.003 0.000 1.115 148 N HN 1.353 nan 8.380 nan 0.000 0.492 149 G N 1.646 110.436 108.800 -0.016 0.000 2.525 149 G HA2 -0.285 3.680 3.960 0.008 0.000 0.248 149 G HA3 -0.285 3.680 3.960 0.008 0.000 0.248 149 G C -0.467 174.419 174.900 -0.023 0.000 1.238 149 G CA -0.547 44.543 45.100 -0.017 0.000 0.926 149 G HN 0.548 nan 8.290 nan 0.000 0.574 150 R N -0.741 119.746 120.500 -0.022 0.000 2.596 150 R HA 0.671 5.016 4.340 0.008 0.000 0.267 150 R C 0.790 177.081 176.300 -0.015 0.000 1.026 150 R CA -0.825 55.260 56.100 -0.025 0.000 1.087 150 R CB 0.725 31.009 30.300 -0.028 0.000 1.132 150 R HN 0.469 nan 8.270 nan 0.000 0.531 151 L N 1.141 122.355 121.223 -0.015 0.000 2.474 151 L HA 0.203 4.547 4.340 0.008 0.000 0.259 151 L C 0.396 177.263 176.870 -0.004 0.000 1.232 151 L CA 0.273 55.110 54.840 -0.004 0.000 0.821 151 L CB 0.226 42.284 42.059 -0.002 0.000 1.108 151 L HN 0.417 nan 8.230 nan 0.000 0.495 152 K N 0.241 120.644 120.400 0.004 0.000 2.426 152 K HA 0.400 4.724 4.320 0.008 0.000 0.254 152 K C -0.274 176.332 176.600 0.009 0.000 0.936 152 K CA -0.635 55.655 56.287 0.005 0.000 0.801 152 K CB 1.691 34.196 32.500 0.009 0.000 1.139 152 K HN 0.679 nan 8.250 nan 0.000 0.424 153 G N 1.888 110.690 108.800 0.004 0.000 2.414 153 G HA2 0.387 4.352 3.960 0.008 0.000 0.236 153 G HA3 0.387 4.352 3.960 0.008 0.000 0.236 153 G C -0.710 174.201 174.900 0.018 0.000 1.293 153 G CA -0.027 45.076 45.100 0.005 0.000 0.869 153 G HN 0.701 nan 8.290 nan 0.000 0.556 154 A N 1.427 124.260 122.820 0.022 0.000 2.594 154 A HA 0.655 4.979 4.320 0.008 0.000 0.291 154 A C -1.021 176.599 177.584 0.060 0.000 1.105 154 A CA -0.771 51.296 52.037 0.050 0.000 0.694 154 A CB 1.205 20.235 19.000 0.051 0.000 1.291 154 A HN 0.976 nan 8.150 nan 0.000 0.410 155 H N 0.428 119.501 119.070 0.005 0.000 2.652 155 H HA 0.656 5.217 4.556 0.008 0.000 0.298 155 H C -0.930 174.401 175.328 0.005 0.000 1.076 155 H CA -0.073 55.977 56.048 0.003 0.000 1.360 155 H CB 0.263 30.025 29.762 0.000 0.000 1.421 155 H HN 0.463 nan 8.280 nan 0.000 0.464 156 I N 6.227 126.842 120.570 0.075 0.000 2.418 156 I HA 0.184 4.358 4.170 0.008 0.000 0.287 156 I C -0.756 175.414 176.117 0.089 0.000 1.008 156 I CA -0.983 60.370 61.300 0.088 0.000 1.104 156 I CB 1.909 39.930 38.000 0.035 0.000 1.264 156 I HN 0.345 nan 8.210 nan 0.000 0.438 157 V N 6.825 126.805 119.914 0.110 0.000 2.350 157 V HA 0.350 4.474 4.120 0.008 0.000 0.276 157 V C 0.358 176.478 176.094 0.043 0.000 1.028 157 V CA -0.590 61.758 62.300 0.081 0.000 0.860 157 V CB 1.330 33.203 31.823 0.083 0.000 0.990 157 V HN 0.590 nan 8.190 nan 0.000 0.453 158 M N 4.500 124.119 119.600 0.032 0.000 2.162 158 M HA 0.214 4.698 4.480 0.008 0.000 0.356 158 M C 1.260 177.572 176.300 0.021 0.000 1.303 158 M CA -0.178 55.138 55.300 0.026 0.000 1.116 158 M CB 0.764 33.376 32.600 0.020 0.000 1.632 158 M HN 0.807 nan 8.290 nan 0.000 0.469 159 D N 1.801 122.212 120.400 0.018 0.000 2.269 159 D HA -0.066 4.579 4.640 0.008 0.000 0.208 159 D C -0.102 176.207 176.300 0.015 0.000 0.963 159 D CA 1.176 55.182 54.000 0.011 0.000 0.864 159 D CB 0.588 41.389 40.800 0.003 0.000 0.936 159 D HN 0.247 nan 8.370 nan 0.000 0.505 160 K N 0.234 120.648 120.400 0.023 0.000 2.477 160 K HA 0.374 4.699 4.320 0.008 0.000 0.255 160 K C -1.089 175.529 176.600 0.029 0.000 0.952 160 K CA -1.058 55.244 56.287 0.026 0.000 0.826 160 K CB 2.933 35.454 32.500 0.033 0.000 1.331 160 K HN -0.171 nan 8.250 nan 0.000 0.437 161 V N 1.652 121.586 119.914 0.032 0.000 2.455 161 V HA 0.234 4.358 4.120 0.008 0.000 0.273 161 V C 0.327 176.452 176.094 0.052 0.000 1.045 161 V CA -0.117 62.206 62.300 0.038 0.000 0.976 161 V CB 0.999 32.846 31.823 0.041 0.000 0.993 161 V HN 0.688 nan 8.190 nan 0.000 0.475 162 S N 4.033 119.759 115.700 0.043 0.000 2.707 162 S HA 0.392 4.867 4.470 0.008 0.000 0.303 162 S C 0.564 175.200 174.600 0.060 0.000 1.132 162 S CA -0.615 57.615 58.200 0.050 0.000 1.046 162 S CB 1.823 65.032 63.200 0.015 0.000 1.004 162 S HN 0.353 nan 8.310 nan 0.000 0.483 163 V N 5.441 125.414 119.914 0.098 0.000 2.343 163 V HA -0.029 4.095 4.120 0.008 0.000 0.247 163 V C 2.646 178.880 176.094 0.234 0.000 1.051 163 V CA 2.564 64.947 62.300 0.138 0.000 1.036 163 V CB -1.173 30.744 31.823 0.156 0.000 0.654 163 V HN 0.947 nan 8.190 nan 0.000 0.451 164 G N -0.369 108.589 108.800 0.263 0.000 2.446 164 G HA2 -0.231 3.733 3.960 0.008 0.000 0.217 164 G HA3 -0.231 3.733 3.960 0.008 0.000 0.217 164 G C 1.723 176.719 174.900 0.160 0.000 1.168 164 G CA 1.085 46.439 45.100 0.424 0.000 0.771 164 G HN 0.619 nan 8.290 nan 0.000 0.551 165 A N -0.156 122.491 122.820 -0.288 0.000 1.968 165 A HA 0.098 4.423 4.320 0.008 0.000 0.217 165 A C 2.493 180.007 177.584 -0.117 0.000 1.169 165 A CA 2.192 53.945 52.037 -0.473 0.000 0.638 165 A CB -0.671 18.105 19.000 -0.373 0.000 0.812 165 A HN 0.287 nan 8.150 nan 0.000 0.446 166 T N -0.253 114.287 114.554 -0.023 0.000 2.746 166 T HA -0.127 4.228 4.350 0.008 0.000 0.267 166 T C 1.887 176.588 174.700 0.002 0.000 1.039 166 T CA 1.633 63.731 62.100 -0.003 0.000 1.142 166 T CB -0.382 68.492 68.868 0.010 0.000 0.866 166 T HN 0.151 nan 8.240 nan 0.000 0.444 167 V N 1.383 121.316 119.914 0.032 0.000 2.295 167 V HA -0.205 3.919 4.120 0.008 0.000 0.246 167 V C 2.804 178.888 176.094 -0.017 0.000 1.049 167 V CA 2.077 64.334 62.300 -0.072 0.000 1.024 167 V CB -1.099 30.538 31.823 -0.310 0.000 0.648 167 V HN 0.517 nan 8.190 nan 0.000 0.447 168 T N 0.223 114.866 114.554 0.148 0.000 2.684 168 T HA -0.157 4.198 4.350 0.008 0.000 0.267 168 T C 1.781 176.531 174.700 0.083 0.000 1.036 168 T CA 1.991 64.207 62.100 0.193 0.000 1.148 168 T CB -0.284 68.783 68.868 0.332 0.000 0.863 168 T HN 0.351 nan 8.240 nan 0.000 0.436 169 I N 0.676 121.269 120.570 0.039 0.000 2.202 169 I HA -0.149 4.026 4.170 0.008 0.000 0.242 169 I C 2.577 178.696 176.117 0.003 0.000 1.091 169 I CA 1.238 62.551 61.300 0.021 0.000 1.368 169 I CB -0.385 37.619 38.000 0.006 0.000 1.058 169 I HN 0.263 nan 8.210 nan 0.000 0.410 170 M N 0.924 120.517 119.600 -0.012 0.000 2.117 170 M HA -0.222 4.263 4.480 0.008 0.000 0.262 170 M C 2.590 178.875 176.300 -0.026 0.000 1.065 170 M CA 2.445 57.729 55.300 -0.026 0.000 1.114 170 M CB -0.117 32.460 32.600 -0.038 0.000 1.361 170 M HN 0.337 nan 8.290 nan 0.000 0.408 171 S N 0.655 116.341 115.700 -0.022 0.000 2.368 171 S HA -0.049 4.426 4.470 0.008 0.000 0.225 171 S C 2.096 176.696 174.600 0.001 0.000 1.030 171 S CA 1.031 59.223 58.200 -0.014 0.000 0.999 171 S CB -1.002 62.194 63.200 -0.006 0.000 0.844 171 S HN 0.613 nan 8.310 nan 0.000 0.459 172 A N 2.157 124.987 122.820 0.017 0.000 1.930 172 A HA 0.353 4.677 4.320 0.008 0.000 0.217 172 A C 2.500 180.082 177.584 -0.002 0.000 1.175 172 A CA 1.602 53.650 52.037 0.018 0.000 0.627 172 A CB -1.425 17.597 19.000 0.036 0.000 0.815 172 A HN 0.893 nan 8.150 nan 0.000 0.443 173 A N -0.023 122.793 122.820 -0.007 0.000 2.070 173 A HA -0.083 4.241 4.320 0.008 0.000 0.220 173 A C 2.302 179.869 177.584 -0.028 0.000 1.159 173 A CA 2.242 54.269 52.037 -0.016 0.000 0.656 173 A CB -1.374 17.614 19.000 -0.020 0.000 0.800 173 A HN 0.805 nan 8.150 nan 0.000 0.453 174 T N -2.216 112.317 114.554 -0.035 0.000 2.929 174 T HA -0.008 4.347 4.350 0.008 0.000 0.271 174 T C 1.266 175.936 174.700 -0.051 0.000 1.085 174 T CA 1.440 63.510 62.100 -0.049 0.000 1.125 174 T CB -0.318 68.512 68.868 -0.064 0.000 0.874 174 T HN 0.343 nan 8.240 nan 0.000 0.494 175 L N 0.244 121.439 121.223 -0.046 0.000 2.808 175 L HA 0.546 4.891 4.340 0.008 0.000 0.246 175 L C 1.318 178.163 176.870 -0.042 0.000 1.153 175 L CA -0.554 54.255 54.840 -0.053 0.000 0.956 175 L CB -0.142 41.876 42.059 -0.069 0.000 1.270 175 L HN 0.277 nan 8.230 nan 0.000 0.528 176 A N 0.493 123.295 122.820 -0.031 0.000 2.313 176 A HA 0.213 4.537 4.320 0.008 0.000 0.261 176 A C 0.136 177.707 177.584 -0.022 0.000 1.090 176 A CA -0.199 51.824 52.037 -0.022 0.000 0.807 176 A CB 0.376 19.367 19.000 -0.013 0.000 1.055 176 A HN 0.271 nan 8.150 nan 0.000 0.492 177 E N 0.088 120.279 120.200 -0.016 0.000 2.194 177 E HA 0.462 4.816 4.350 0.008 0.000 0.284 177 E C 0.571 177.165 176.600 -0.010 0.000 1.035 177 E CA 0.684 57.076 56.400 -0.014 0.000 0.836 177 E CB 0.189 29.883 29.700 -0.011 0.000 1.070 177 E HN 1.478 nan 8.360 nan 0.000 0.401 178 G N 2.963 111.757 108.800 -0.012 0.000 2.582 178 G HA2 -0.193 3.772 3.960 0.008 0.000 0.222 178 G HA3 -0.193 3.772 3.960 0.008 0.000 0.222 178 G C -0.552 174.341 174.900 -0.011 0.000 1.311 178 G CA -0.421 44.674 45.100 -0.008 0.000 0.915 178 G HN 0.552 nan 8.290 nan 0.000 0.528 179 T N 1.158 115.708 114.554 -0.007 0.000 2.799 179 T HA 0.666 5.021 4.350 0.008 0.000 0.286 179 T C 0.072 174.763 174.700 -0.016 0.000 0.973 179 T CA 0.314 62.406 62.100 -0.013 0.000 1.035 179 T CB 1.510 70.372 68.868 -0.009 0.000 0.932 179 T HN 0.741 nan 8.240 nan 0.000 0.469 180 T N 4.245 118.779 114.554 -0.033 0.000 2.829 180 T HA 0.566 4.921 4.350 0.008 0.000 0.280 180 T C -0.492 174.152 174.700 -0.092 0.000 0.999 180 T CA -0.655 61.417 62.100 -0.047 0.000 0.983 180 T CB 0.624 69.471 68.868 -0.035 0.000 0.968 180 T HN 0.310 nan 8.240 nan 0.000 0.446 181 I N 3.851 124.320 120.570 -0.168 0.000 2.436 181 I HA 0.469 4.643 4.170 0.008 0.000 0.289 181 I C -0.307 175.660 176.117 -0.250 0.000 1.010 181 I CA -0.948 60.191 61.300 -0.268 0.000 1.098 181 I CB 1.656 39.335 38.000 -0.535 0.000 1.266 181 I HN 0.615 nan 8.210 nan 0.000 0.434 182 I N 5.553 126.030 120.570 -0.155 0.000 2.354 182 I HA 0.286 4.461 4.170 0.008 0.000 0.286 182 I C 0.288 176.358 176.117 -0.077 0.000 1.007 182 I CA -0.470 60.773 61.300 -0.093 0.000 1.167 182 I CB 1.106 39.075 38.000 -0.052 0.000 1.320 182 I HN 0.471 nan 8.210 nan 0.000 0.458 183 E N 6.136 126.303 120.200 -0.055 0.000 2.231 183 E HA 0.293 4.648 4.350 0.008 0.000 0.277 183 E C -0.288 176.316 176.600 0.007 0.000 0.999 183 E CA -0.571 55.823 56.400 -0.011 0.000 0.827 183 E CB 0.872 30.596 29.700 0.040 0.000 1.101 183 E HN 0.483 nan 8.360 nan 0.000 0.393 184 N N 0.028 118.734 118.700 0.010 0.000 2.780 184 N HA -0.169 4.575 4.740 0.008 0.000 0.248 184 N C -0.775 174.742 175.510 0.013 0.000 1.102 184 N CA 0.846 53.904 53.050 0.014 0.000 0.697 184 N CB -1.463 37.035 38.487 0.018 0.000 1.028 184 N HN 0.606 nan 8.380 nan 0.000 0.554 185 A N -0.105 122.718 122.820 0.006 0.000 2.445 185 A HA 0.613 4.937 4.320 0.008 0.000 0.242 185 A C 1.019 178.615 177.584 0.019 0.000 1.075 185 A CA 0.370 52.411 52.037 0.006 0.000 0.777 185 A CB 0.409 19.406 19.000 -0.004 0.000 1.013 185 A HN 0.577 nan 8.150 nan 0.000 0.493 186 A N 1.725 124.560 122.820 0.025 0.000 2.462 186 A HA 0.389 4.714 4.320 0.008 0.000 0.243 186 A C 1.037 178.642 177.584 0.035 0.000 1.076 186 A CA -0.126 51.935 52.037 0.039 0.000 0.773 186 A CB 0.034 19.062 19.000 0.047 0.000 1.010 186 A HN 0.863 nan 8.150 nan 0.000 0.493 187 R N 0.666 121.199 120.500 0.055 0.000 2.362 187 R HA 0.077 4.422 4.340 0.008 0.000 0.227 187 R C -0.397 175.938 176.300 0.059 0.000 0.905 187 R CA -0.144 56.000 56.100 0.073 0.000 1.067 187 R CB 0.149 30.517 30.300 0.114 0.000 1.078 187 R HN 0.794 nan 8.270 nan 0.000 0.516 188 E N 1.377 121.571 120.200 -0.010 0.000 2.508 188 E HA -0.080 4.275 4.350 0.008 0.000 0.266 188 E C -1.720 174.761 176.600 -0.198 0.000 1.010 188 E CA -0.777 55.517 56.400 -0.176 0.000 0.955 188 E CB 0.391 30.025 29.700 -0.110 0.000 0.946 188 E HN -0.116 nan 8.360 nan 0.000 0.454 189 P HA -0.152 nan 4.420 nan 0.000 0.219 189 P C 0.265 177.506 177.300 -0.098 0.000 1.146 189 P CA 1.154 64.144 63.100 -0.182 0.000 0.808 189 P CB 0.289 31.863 31.700 -0.209 0.000 0.779 190 E N -1.102 119.037 120.200 -0.101 0.000 2.204 190 E HA -0.105 4.250 4.350 0.008 0.000 0.194 190 E C 1.877 178.438 176.600 -0.065 0.000 0.989 190 E CA 0.723 57.083 56.400 -0.067 0.000 0.824 190 E CB -0.761 28.907 29.700 -0.055 0.000 0.756 190 E HN 0.195 nan 8.360 nan 0.000 0.477 191 I N 0.134 120.669 120.570 -0.058 0.000 2.252 191 I HA -0.174 4.001 4.170 0.008 0.000 0.245 191 I C 2.072 178.165 176.117 -0.039 0.000 1.102 191 I CA 0.853 62.122 61.300 -0.050 0.000 1.385 191 I CB -0.871 37.113 38.000 -0.027 0.000 1.064 191 I HN 0.019 nan 8.210 nan 0.000 0.414 192 V N 1.016 120.914 119.914 -0.025 0.000 2.343 192 V HA -0.286 3.839 4.120 0.008 0.000 0.247 192 V C 2.272 178.375 176.094 0.014 0.000 1.051 192 V CA 2.128 64.426 62.300 -0.003 0.000 1.036 192 V CB -0.661 31.166 31.823 0.007 0.000 0.654 192 V HN 0.319 nan 8.190 nan 0.000 0.451 193 D N -0.341 120.070 120.400 0.018 0.000 2.144 193 D HA -0.134 4.510 4.640 0.008 0.000 0.200 193 D C 2.226 178.535 176.300 0.014 0.000 0.978 193 D CA 1.636 55.682 54.000 0.077 0.000 0.833 193 D CB -0.048 40.798 40.800 0.078 0.000 0.961 193 D HN 0.396 nan 8.370 nan 0.000 0.470 194 T N -0.503 114.022 114.554 -0.048 0.000 2.777 194 T HA -0.050 4.305 4.350 0.008 0.000 0.266 194 T C 1.931 176.602 174.700 -0.048 0.000 1.040 194 T CA 1.282 63.334 62.100 -0.079 0.000 1.141 194 T CB -0.397 68.387 68.868 -0.141 0.000 0.868 194 T HN 0.211 nan 8.240 nan 0.000 0.444 195 A N 2.493 125.283 122.820 -0.050 0.000 1.902 195 A HA -0.159 4.165 4.320 0.008 0.000 0.217 195 A C 2.233 179.777 177.584 -0.066 0.000 1.181 195 A CA 1.523 53.529 52.037 -0.052 0.000 0.623 195 A CB -0.625 18.354 19.000 -0.036 0.000 0.818 195 A HN 0.370 nan 8.150 nan 0.000 0.443 196 N N -1.035 117.645 118.700 -0.035 0.000 2.244 196 N HA -0.117 4.628 4.740 0.008 0.000 0.183 196 N C 1.361 176.756 175.510 -0.191 0.000 1.016 196 N CA 1.371 54.414 53.050 -0.011 0.000 0.866 196 N CB -0.586 37.991 38.487 0.151 0.000 0.980 196 N HN 0.565 nan 8.380 nan 0.000 0.430 197 F N 1.674 121.228 119.950 -0.661 0.000 2.102 197 F HA -0.025 4.507 4.527 0.009 0.000 0.298 197 F C 1.961 177.496 175.800 -0.442 0.000 1.105 197 F CA 1.009 58.383 58.000 -1.042 0.000 1.239 197 F CB -0.452 37.954 39.000 -0.990 0.000 0.991 197 F HN -0.084 nan 8.300 nan 0.000 0.474 198 L N -0.515 120.454 121.223 -0.424 0.000 2.083 198 L HA -0.223 4.121 4.340 0.008 0.000 0.209 198 L C 2.407 179.079 176.870 -0.330 0.000 1.083 198 L CA 1.026 55.622 54.840 -0.406 0.000 0.752 198 L CB -0.867 41.084 42.059 -0.180 0.000 0.899 198 L HN 0.039 nan 8.230 nan 0.000 0.433 199 V N -0.024 119.753 119.914 -0.227 0.000 2.427 199 V HA -0.269 3.856 4.120 0.008 0.000 0.248 199 V C 2.729 178.729 176.094 -0.156 0.000 1.051 199 V CA 1.686 63.897 62.300 -0.147 0.000 1.048 199 V CB -0.770 31.006 31.823 -0.079 0.000 0.666 199 V HN 0.485 nan 8.190 nan 0.000 0.456 200 A N -0.277 122.427 122.820 -0.194 0.000 1.978 200 A HA -0.137 4.188 4.320 0.008 0.000 0.220 200 A C 2.080 179.546 177.584 -0.196 0.000 1.170 200 A CA 1.585 53.545 52.037 -0.129 0.000 0.636 200 A CB -0.477 18.505 19.000 -0.030 0.000 0.810 200 A HN 0.547 nan 8.150 nan 0.000 0.448 201 L N -1.807 119.206 121.223 -0.350 0.000 2.554 201 L HA 0.191 4.536 4.340 0.008 0.000 0.226 201 L C 1.631 178.391 176.870 -0.184 0.000 1.137 201 L CA 0.609 55.269 54.840 -0.300 0.000 0.863 201 L CB -0.116 41.678 42.059 -0.441 0.000 0.985 201 L HN 0.595 nan 8.230 nan 0.000 0.451 202 G N -0.585 108.121 108.800 -0.157 0.000 2.205 202 G HA2 -0.145 3.820 3.960 0.008 0.000 0.180 202 G HA3 -0.145 3.820 3.960 0.008 0.000 0.180 202 G C 0.312 175.151 174.900 -0.101 0.000 1.004 202 G CA -0.194 44.842 45.100 -0.106 0.000 0.670 202 G HN 0.400 nan 8.290 nan 0.000 0.496 203 A N 0.055 122.799 122.820 -0.126 0.000 2.313 203 A HA 0.700 5.024 4.320 0.008 0.000 0.261 203 A C 0.407 177.944 177.584 -0.078 0.000 1.090 203 A CA 0.242 52.218 52.037 -0.103 0.000 0.807 203 A CB 0.417 19.345 19.000 -0.120 0.000 1.055 203 A HN 0.345 nan 8.150 nan 0.000 0.492 204 K N 1.077 121.440 120.400 -0.062 0.000 2.404 204 K HA 0.580 4.904 4.320 0.008 0.000 0.257 204 K C -1.450 175.123 176.600 -0.046 0.000 1.026 204 K CA 0.334 56.592 56.287 -0.048 0.000 0.951 204 K CB 0.983 33.459 32.500 -0.039 0.000 1.203 204 K HN 0.574 nan 8.250 nan 0.000 0.446 205 I N 1.588 122.132 120.570 -0.045 0.000 2.619 205 I HA 0.298 4.473 4.170 0.008 0.000 0.292 205 I C -0.357 175.741 176.117 -0.031 0.000 1.100 205 I CA -0.676 60.599 61.300 -0.041 0.000 1.043 205 I CB 2.322 40.294 38.000 -0.047 0.000 1.239 205 I HN 0.559 nan 8.210 nan 0.000 0.420 206 S N 2.335 118.019 115.700 -0.028 0.000 2.618 206 S HA 0.834 5.309 4.470 0.008 0.000 0.277 206 S C 0.292 174.880 174.600 -0.020 0.000 1.138 206 S CA -0.029 58.159 58.200 -0.020 0.000 0.844 206 S CB 2.021 65.211 63.200 -0.017 0.000 1.127 206 S HN 1.340 nan 8.310 nan 0.000 0.474 207 G N 0.731 109.523 108.800 -0.012 0.000 2.176 207 G HA2 -0.242 3.723 3.960 0.008 0.000 0.253 207 G HA3 -0.242 3.723 3.960 0.008 0.000 0.253 207 G C 0.113 175.009 174.900 -0.006 0.000 0.979 207 G CA 0.186 45.281 45.100 -0.010 0.000 0.641 207 G HN 1.268 nan 8.290 nan 0.000 0.530 208 Q N 0.254 120.050 119.800 -0.007 0.000 2.300 208 Q HA 0.400 4.745 4.340 0.008 0.000 0.280 208 Q C 1.154 177.160 176.000 0.011 0.000 1.033 208 Q CA 1.000 56.801 55.803 -0.003 0.000 0.903 208 Q CB 0.963 29.697 28.738 -0.008 0.000 1.195 208 Q HN 1.800 nan 8.270 nan 0.000 0.386 209 G N 2.287 111.099 108.800 0.019 0.000 2.213 209 G HA2 -0.286 3.678 3.960 0.008 0.000 0.226 209 G HA3 -0.286 3.678 3.960 0.008 0.000 0.226 209 G C 0.258 175.184 174.900 0.043 0.000 0.992 209 G CA 0.311 45.436 45.100 0.042 0.000 0.632 209 G HN 1.135 nan 8.290 nan 0.000 0.511 210 T N -2.702 111.867 114.554 0.024 0.000 2.919 210 T HA 0.607 4.962 4.350 0.008 0.000 0.282 210 T C 0.601 175.310 174.700 0.016 0.000 1.020 210 T CA 0.372 62.483 62.100 0.019 0.000 0.994 210 T CB 1.693 70.567 68.868 0.009 0.000 1.180 210 T HN -0.139 nan 8.240 nan 0.000 0.566 211 D N -0.185 120.223 120.400 0.012 0.000 2.363 211 D HA 0.054 4.699 4.640 0.008 0.000 0.220 211 D C 0.641 176.942 176.300 0.001 0.000 0.994 211 D CA 0.644 54.650 54.000 0.011 0.000 0.890 211 D CB 0.243 41.050 40.800 0.012 0.000 0.906 211 D HN 0.405 nan 8.370 nan 0.000 0.530 212 R N 0.824 121.321 120.500 -0.006 0.000 2.502 212 R HA 0.425 4.770 4.340 0.008 0.000 0.298 212 R C -1.245 175.037 176.300 -0.030 0.000 1.018 212 R CA -0.429 55.657 56.100 -0.023 0.000 0.899 212 R CB 1.078 31.366 30.300 -0.020 0.000 1.181 212 R HN -0.144 nan 8.270 nan 0.000 0.444 213 I N 3.079 123.624 120.570 -0.042 0.000 2.377 213 I HA 0.313 4.487 4.170 0.008 0.000 0.293 213 I C -0.219 175.862 176.117 -0.060 0.000 0.987 213 I CA -0.642 60.633 61.300 -0.041 0.000 1.185 213 I CB 2.344 40.323 38.000 -0.036 0.000 1.341 213 I HN 0.507 nan 8.210 nan 0.000 0.455 214 T N 6.967 121.491 114.554 -0.051 0.000 2.792 214 T HA 0.639 4.993 4.350 0.008 0.000 0.280 214 T C -0.409 174.263 174.700 -0.046 0.000 0.990 214 T CA -0.322 61.744 62.100 -0.056 0.000 0.960 214 T CB 1.167 70.007 68.868 -0.046 0.000 0.939 214 T HN 0.188 nan 8.240 nan 0.000 0.439 215 I N 2.412 122.953 120.570 -0.048 0.000 2.465 215 I HA 0.376 4.551 4.170 0.008 0.000 0.291 215 I C 0.142 176.237 176.117 -0.036 0.000 1.014 215 I CA -0.590 60.685 61.300 -0.042 0.000 1.093 215 I CB 2.000 39.975 38.000 -0.042 0.000 1.267 215 I HN 0.538 nan 8.210 nan 0.000 0.431 216 E N 4.574 124.753 120.200 -0.035 0.000 2.113 216 E HA 0.530 4.885 4.350 0.008 0.000 0.273 216 E C 0.017 176.597 176.600 -0.033 0.000 0.924 216 E CA -0.664 55.719 56.400 -0.029 0.000 0.764 216 E CB 1.223 30.907 29.700 -0.026 0.000 1.104 216 E HN 0.830 nan 8.360 nan 0.000 0.406 217 G N 2.421 111.202 108.800 -0.030 0.000 2.554 217 G HA2 0.328 4.292 3.960 0.008 0.000 0.238 217 G HA3 0.328 4.292 3.960 0.008 0.000 0.238 217 G C 0.009 174.887 174.900 -0.036 0.000 1.259 217 G CA -0.042 45.037 45.100 -0.034 0.000 0.843 217 G HN 0.434 nan 8.290 nan 0.000 0.582 218 V N -0.795 119.093 119.914 -0.043 0.000 3.074 218 V HA 0.575 4.700 4.120 0.008 0.000 0.314 218 V C 0.734 176.800 176.094 -0.047 0.000 1.117 218 V CA -0.775 61.499 62.300 -0.044 0.000 1.014 218 V CB 2.008 33.801 31.823 -0.050 0.000 1.057 218 V HN 0.784 nan 8.190 nan 0.000 0.438 219 E N 1.023 121.197 120.200 -0.044 0.000 2.158 219 E HA 0.061 4.415 4.350 0.008 0.000 0.191 219 E C 0.512 177.077 176.600 -0.058 0.000 0.982 219 E CA 1.065 57.437 56.400 -0.046 0.000 0.823 219 E CB 0.182 29.860 29.700 -0.037 0.000 0.766 219 E HN 0.747 nan 8.360 nan 0.000 0.468 220 R N -0.337 120.128 120.500 -0.058 0.000 2.663 220 R HA 0.477 4.822 4.340 0.008 0.000 0.267 220 R C -1.477 174.782 176.300 -0.070 0.000 1.038 220 R CA -0.711 55.349 56.100 -0.067 0.000 0.886 220 R CB 0.912 31.179 30.300 -0.056 0.000 1.249 220 R HN -0.129 nan 8.270 nan 0.000 0.463 221 L N 1.399 122.575 121.223 -0.079 0.000 2.334 221 L HA 0.592 4.936 4.340 0.008 0.000 0.276 221 L C 0.729 177.555 176.870 -0.073 0.000 1.014 221 L CA -0.717 54.068 54.840 -0.092 0.000 0.815 221 L CB 2.043 44.031 42.059 -0.117 0.000 1.268 221 L HN 0.996 nan 8.230 nan 0.000 0.428 222 G N 0.912 109.666 108.800 -0.076 0.000 2.829 222 G HA2 0.636 4.600 3.960 0.008 0.000 0.173 222 G HA3 0.636 4.600 3.960 0.008 0.000 0.173 222 G C -0.072 174.803 174.900 -0.042 0.000 1.476 222 G CA 0.250 45.322 45.100 -0.048 0.000 1.072 222 G HN 0.745 nan 8.290 nan 0.000 0.577 223 G N -3.089 105.699 108.800 -0.019 0.000 3.222 223 G HA2 0.746 4.711 3.960 0.008 0.000 0.263 223 G HA3 0.746 4.711 3.960 0.008 0.000 0.263 223 G C -0.205 174.703 174.900 0.015 0.000 1.312 223 G CA 0.078 45.184 45.100 0.011 0.000 0.934 223 G HN 1.898 nan 8.290 nan 0.000 0.577 224 G N -2.642 106.195 108.800 0.062 0.000 2.340 224 G HA2 0.476 4.440 3.960 0.008 0.000 0.282 224 G HA3 0.476 4.440 3.960 0.008 0.000 0.282 224 G C -1.832 173.138 174.900 0.117 0.000 1.312 224 G CA 0.102 45.246 45.100 0.074 0.000 0.942 224 G HN 1.379 nan 8.290 nan 0.000 0.495 225 V N 0.345 120.330 119.914 0.119 0.000 2.604 225 V HA 0.771 4.895 4.120 0.008 0.000 0.305 225 V C -1.005 175.202 176.094 0.188 0.000 1.043 225 V CA -0.586 61.783 62.300 0.114 0.000 0.888 225 V CB 1.535 33.393 31.823 0.058 0.000 0.995 225 V HN 1.019 nan 8.190 nan 0.000 0.429 226 Y N 3.721 124.057 120.300 0.059 0.000 2.479 226 Y HA 0.605 5.160 4.550 0.007 0.000 0.338 226 Y C -0.364 175.533 175.900 -0.005 0.000 1.055 226 Y CA -0.851 57.302 58.100 0.088 0.000 1.023 226 Y CB 1.753 40.397 38.460 0.306 0.000 1.287 226 Y HN 0.629 nan 8.280 nan 0.000 0.447 227 R N 5.081 125.225 120.500 -0.593 0.000 2.255 227 R HA 0.609 4.953 4.340 0.008 0.000 0.326 227 R C -1.384 174.713 176.300 -0.338 0.000 0.986 227 R CA -0.614 55.270 56.100 -0.360 0.000 0.847 227 R CB 0.958 31.079 30.300 -0.297 0.000 1.111 227 R HN 0.621 nan 8.270 nan 0.000 0.452 228 V N 6.507 126.357 119.914 -0.107 0.000 2.673 228 V HA -0.022 4.102 4.120 0.008 0.000 0.303 228 V C 0.942 177.007 176.094 -0.048 0.000 1.046 228 V CA -0.043 62.247 62.300 -0.017 0.000 1.126 228 V CB 0.503 32.299 31.823 -0.046 0.000 0.934 228 V HN 0.692 nan 8.190 nan 0.000 0.487 229 L N 5.889 127.107 121.223 -0.007 0.000 2.473 229 L HA 0.466 4.810 4.340 0.008 0.000 0.268 229 L C -2.351 174.502 176.870 -0.028 0.000 1.215 229 L CA -1.392 53.433 54.840 -0.025 0.000 0.823 229 L CB 0.099 42.156 42.059 -0.004 0.000 1.099 229 L HN 0.363 nan 8.230 nan 0.000 0.483 230 P HA 0.014 nan 4.420 nan 0.000 0.269 230 P C -1.209 176.082 177.300 -0.014 0.000 1.215 230 P CA -0.055 63.037 63.100 -0.013 0.000 0.780 230 P CB 0.369 32.069 31.700 -0.001 0.000 0.898 231 D N 2.258 122.654 120.400 -0.007 0.000 2.344 231 D HA -0.014 4.631 4.640 0.008 0.000 0.253 231 D C 1.334 177.631 176.300 -0.004 0.000 1.255 231 D CA -0.039 53.947 54.000 -0.022 0.000 0.894 231 D CB 0.469 41.251 40.800 -0.031 0.000 1.067 231 D HN 0.324 nan 8.370 nan 0.000 0.492 232 R N 3.938 124.424 120.500 -0.023 0.000 2.115 232 R HA -0.097 4.248 4.340 0.008 0.000 0.230 232 R C 1.377 177.675 176.300 -0.004 0.000 1.111 232 R CA 0.517 56.612 56.100 -0.009 0.000 0.976 232 R CB -0.149 30.133 30.300 -0.031 0.000 0.870 232 R HN 0.338 nan 8.270 nan 0.000 0.445 233 I N 1.875 122.424 120.570 -0.035 0.000 2.353 233 I HA -0.125 4.050 4.170 0.008 0.000 0.248 233 I C 2.534 178.663 176.117 0.019 0.000 1.119 233 I CA 1.188 62.469 61.300 -0.031 0.000 1.417 233 I CB -1.164 36.789 38.000 -0.079 0.000 1.078 233 I HN 0.369 nan 8.210 nan 0.000 0.421 234 E N 1.054 121.257 120.200 0.005 0.000 2.077 234 E HA -0.200 4.154 4.350 0.008 0.000 0.193 234 E C 2.005 178.764 176.600 0.265 0.000 0.989 234 E CA 1.980 58.474 56.400 0.158 0.000 0.800 234 E CB 0.157 29.962 29.700 0.175 0.000 0.746 234 E HN 0.383 nan 8.360 nan 0.000 0.452 235 T N -0.106 114.567 114.554 0.197 0.000 2.684 235 T HA -0.148 4.207 4.350 0.008 0.000 0.267 235 T C 1.748 176.561 174.700 0.188 0.000 1.036 235 T CA 1.350 63.577 62.100 0.211 0.000 1.148 235 T CB -0.694 68.248 68.868 0.123 0.000 0.863 235 T HN 0.423 nan 8.240 nan 0.000 0.436 236 G N 0.887 109.763 108.800 0.127 0.000 2.422 236 G HA2 -0.206 3.759 3.960 0.008 0.000 0.218 236 G HA3 -0.206 3.759 3.960 0.008 0.000 0.218 236 G C 1.708 176.672 174.900 0.107 0.000 1.146 236 G CA 1.405 46.584 45.100 0.132 0.000 0.769 236 G HN 0.457 nan 8.290 nan 0.000 0.547 237 T N 1.029 115.619 114.554 0.061 0.000 2.708 237 T HA -0.086 4.269 4.350 0.008 0.000 0.266 237 T C 2.016 176.608 174.700 -0.180 0.000 1.037 237 T CA 1.078 63.132 62.100 -0.077 0.000 1.146 237 T CB -0.311 68.493 68.868 -0.107 0.000 0.865 237 T HN 0.221 nan 8.240 nan 0.000 0.435 238 F N 0.928 120.919 119.950 0.067 0.000 2.259 238 F HA 0.167 4.696 4.527 0.003 0.000 0.298 238 F C 2.069 177.882 175.800 0.021 0.000 1.088 238 F CA 0.388 58.408 58.000 0.033 0.000 1.358 238 F CB -0.663 38.363 39.000 0.044 0.000 1.040 238 F HN 0.081 nan 8.300 nan 0.000 0.505 239 L N -0.997 120.339 121.223 0.189 0.000 2.046 239 L HA -0.196 4.148 4.340 0.008 0.000 0.208 239 L C 2.344 179.237 176.870 0.039 0.000 1.077 239 L CA 0.718 55.629 54.840 0.119 0.000 0.747 239 L CB -0.830 41.304 42.059 0.125 0.000 0.896 239 L HN -0.056 nan 8.230 nan 0.000 0.432 240 V N 0.057 119.959 119.914 -0.019 0.000 2.427 240 V HA -0.272 3.853 4.120 0.008 0.000 0.248 240 V C 2.766 178.807 176.094 -0.088 0.000 1.051 240 V CA 1.636 63.857 62.300 -0.130 0.000 1.048 240 V CB -0.807 30.887 31.823 -0.215 0.000 0.666 240 V HN 0.474 nan 8.190 nan 0.000 0.456 241 A N 0.169 122.958 122.820 -0.052 0.000 1.892 241 A HA -0.208 4.116 4.320 0.008 0.000 0.218 241 A C 2.418 180.000 177.584 -0.004 0.000 1.188 241 A CA 2.405 54.423 52.037 -0.032 0.000 0.631 241 A CB -0.789 18.215 19.000 0.007 0.000 0.822 241 A HN 0.584 nan 8.150 nan 0.000 0.447 242 A N -0.484 122.351 122.820 0.024 0.000 1.897 242 A HA 0.261 4.586 4.320 0.008 0.000 0.215 242 A C 2.469 180.047 177.584 -0.011 0.000 1.181 242 A CA 1.806 53.852 52.037 0.014 0.000 0.620 242 A CB -0.944 18.074 19.000 0.029 0.000 0.821 242 A HN 1.104 nan 8.150 nan 0.000 0.443 243 A N 0.429 123.235 122.820 -0.023 0.000 2.019 243 A HA -0.027 4.297 4.320 0.008 0.000 0.219 243 A C 1.957 179.513 177.584 -0.046 0.000 1.164 243 A CA 1.419 53.434 52.037 -0.036 0.000 0.644 243 A CB -0.727 18.237 19.000 -0.059 0.000 0.805 243 A HN 0.992 nan 8.150 nan 0.000 0.449 244 I N -3.170 117.366 120.570 -0.056 0.000 3.883 244 I HA 0.155 4.329 4.170 0.008 0.000 0.326 244 I C 1.218 177.315 176.117 -0.033 0.000 1.283 244 I CA 1.006 62.275 61.300 -0.052 0.000 1.161 244 I CB 0.346 38.306 38.000 -0.067 0.000 1.012 244 I HN 0.208 nan 8.210 nan 0.000 0.421 245 S N -0.167 115.518 115.700 -0.026 0.000 2.730 245 S HA 0.445 4.920 4.470 0.008 0.000 0.244 245 S C 1.399 175.991 174.600 -0.013 0.000 1.022 245 S CA 0.171 58.361 58.200 -0.018 0.000 1.014 245 S CB 0.304 63.494 63.200 -0.016 0.000 0.963 245 S HN 0.735 nan 8.310 nan 0.000 0.540 246 G N 0.639 109.432 108.800 -0.011 0.000 2.179 246 G HA2 -0.131 3.834 3.960 0.008 0.000 0.257 246 G HA3 -0.131 3.834 3.960 0.008 0.000 0.257 246 G C 0.538 175.429 174.900 -0.015 0.000 1.010 246 G CA 0.030 45.126 45.100 -0.007 0.000 0.736 246 G HN 1.083 nan 8.290 nan 0.000 0.513 247 G N -0.965 107.824 108.800 -0.019 0.000 2.525 247 G HA2 0.619 4.583 3.960 0.008 0.000 0.287 247 G HA3 0.619 4.583 3.960 0.008 0.000 0.287 247 G C -0.120 174.754 174.900 -0.043 0.000 1.350 247 G CA 0.037 45.123 45.100 -0.023 0.000 1.039 247 G HN 0.662 nan 8.290 nan 0.000 0.513 248 K N -0.807 119.570 120.400 -0.038 0.000 2.553 248 K HA 0.564 4.889 4.320 0.008 0.000 0.250 248 K C -1.807 174.777 176.600 -0.026 0.000 0.953 248 K CA -0.615 55.640 56.287 -0.053 0.000 0.800 248 K CB 1.851 34.306 32.500 -0.075 0.000 1.243 248 K HN 0.439 nan 8.250 nan 0.000 0.435 249 I N 3.151 123.716 120.570 -0.008 0.000 2.994 249 I HA 0.486 4.660 4.170 0.008 0.000 0.306 249 I C -1.666 174.462 176.117 0.019 0.000 1.195 249 I CA -1.025 60.277 61.300 0.004 0.000 1.001 249 I CB 2.358 40.378 38.000 0.033 0.000 1.244 249 I HN 0.369 nan 8.210 nan 0.000 0.437 250 V N 5.146 125.062 119.914 0.002 0.000 2.483 250 V HA 0.338 4.462 4.120 0.008 0.000 0.297 250 V C -0.757 175.353 176.094 0.028 0.000 1.027 250 V CA -0.559 61.757 62.300 0.026 0.000 0.855 250 V CB 1.440 33.229 31.823 -0.056 0.000 0.995 250 V HN 0.768 nan 8.190 nan 0.000 0.424 251 C N 6.223 125.580 119.300 0.095 0.000 2.265 251 C HA 0.553 5.017 4.460 0.008 0.000 0.332 251 C C 0.774 175.831 174.990 0.112 0.000 1.248 251 C CA -0.933 58.126 59.018 0.069 0.000 1.727 251 C CB -0.366 27.437 27.740 0.105 0.000 2.348 251 C HN 0.826 nan 8.230 nan 0.000 0.519 252 R N 2.720 123.250 120.500 0.049 0.000 2.500 252 R HA 0.336 4.681 4.340 0.008 0.000 0.277 252 R C 0.138 176.474 176.300 0.060 0.000 1.026 252 R CA -0.526 55.615 56.100 0.068 0.000 1.058 252 R CB 0.293 30.595 30.300 0.003 0.000 1.078 252 R HN 0.697 nan 8.270 nan 0.000 0.509 253 N N -1.008 117.738 118.700 0.077 0.000 2.740 253 N HA -0.187 4.558 4.740 0.008 0.000 0.248 253 N C -1.226 174.308 175.510 0.040 0.000 1.062 253 N CA 1.101 54.177 53.050 0.043 0.000 0.704 253 N CB -1.031 37.463 38.487 0.012 0.000 0.968 253 N HN 0.756 nan 8.380 nan 0.000 0.547 254 A N -0.191 122.666 122.820 0.062 0.000 2.261 254 A HA 0.736 5.060 4.320 0.008 0.000 0.323 254 A C 0.218 177.806 177.584 0.008 0.000 1.107 254 A CA -0.394 51.669 52.037 0.043 0.000 0.883 254 A CB 1.170 20.210 19.000 0.066 0.000 1.251 254 A HN 0.217 nan 8.150 nan 0.000 0.502 255 Q N 0.145 119.942 119.800 -0.006 0.000 2.891 255 Q HA 0.322 4.666 4.340 0.008 0.000 0.242 255 Q C -2.334 173.649 176.000 -0.030 0.000 0.959 255 Q CA -1.716 54.071 55.803 -0.026 0.000 0.707 255 Q CB 1.330 30.056 28.738 -0.020 0.000 1.283 255 Q HN 0.416 nan 8.270 nan 0.000 0.480 256 P HA -0.215 nan 4.420 nan 0.000 0.217 256 P C 0.535 177.815 177.300 -0.033 0.000 1.151 256 P CA 1.628 64.694 63.100 -0.058 0.000 0.849 256 P CB 0.185 31.811 31.700 -0.123 0.000 0.787 257 D N -1.434 118.947 120.400 -0.032 0.000 2.378 257 D HA -0.108 4.537 4.640 0.008 0.000 0.222 257 D C 1.112 177.428 176.300 0.027 0.000 0.980 257 D CA 1.271 55.266 54.000 -0.009 0.000 0.907 257 D CB -1.468 39.325 40.800 -0.011 0.000 0.899 257 D HN 0.224 nan 8.370 nan 0.000 0.527 258 T N -2.685 111.886 114.554 0.029 0.000 3.086 258 T HA 0.222 4.576 4.350 0.008 0.000 0.250 258 T C 1.184 175.933 174.700 0.081 0.000 1.074 258 T CA -0.241 61.901 62.100 0.069 0.000 0.988 258 T CB -0.239 68.636 68.868 0.012 0.000 0.988 258 T HN 0.181 nan 8.240 nan 0.000 0.530 259 L N 0.549 121.794 121.223 0.037 0.000 3.267 259 L HA 0.382 4.727 4.340 0.008 0.000 0.289 259 L C 0.906 177.777 176.870 0.002 0.000 1.260 259 L CA -0.271 54.577 54.840 0.013 0.000 1.034 259 L CB 0.520 42.588 42.059 0.014 0.000 1.413 259 L HN -0.049 nan 8.230 nan 0.000 0.594 260 D N 1.634 122.034 120.400 0.000 0.000 2.133 260 D HA -0.249 4.396 4.640 0.008 0.000 0.192 260 D C 2.174 178.475 176.300 0.001 0.000 1.001 260 D CA 1.883 55.879 54.000 -0.006 0.000 0.844 260 D CB 0.169 40.957 40.800 -0.020 0.000 0.944 260 D HN 0.400 nan 8.370 nan 0.000 0.447 261 A N 0.470 123.280 122.820 -0.017 0.000 1.902 261 A HA -0.121 4.204 4.320 0.008 0.000 0.217 261 A C 2.578 180.193 177.584 0.052 0.000 1.181 261 A CA 1.252 53.299 52.037 0.018 0.000 0.623 261 A CB -0.683 18.323 19.000 0.009 0.000 0.818 261 A HN 0.162 nan 8.150 nan 0.000 0.443 262 V N 0.240 120.126 119.914 -0.047 0.000 2.358 262 V HA -0.237 3.888 4.120 0.008 0.000 0.246 262 V C 2.548 178.733 176.094 0.152 0.000 1.047 262 V CA 1.889 64.184 62.300 -0.009 0.000 1.035 262 V CB -0.727 31.053 31.823 -0.072 0.000 0.658 262 V HN 0.573 nan 8.190 nan 0.000 0.452 263 L N 0.086 121.369 121.223 0.100 0.000 2.083 263 L HA -0.135 4.210 4.340 0.008 0.000 0.209 263 L C 2.719 179.658 176.870 0.114 0.000 1.083 263 L CA 1.473 56.379 54.840 0.111 0.000 0.752 263 L CB -0.858 41.238 42.059 0.061 0.000 0.899 263 L HN 0.366 nan 8.230 nan 0.000 0.433 264 A N -0.244 122.630 122.820 0.091 0.000 1.933 264 A HA -0.161 4.164 4.320 0.008 0.000 0.218 264 A C 2.329 179.980 177.584 0.112 0.000 1.175 264 A CA 1.323 53.409 52.037 0.082 0.000 0.628 264 A CB -0.231 18.803 19.000 0.057 0.000 0.814 264 A HN 0.157 nan 8.150 nan 0.000 0.444 265 K N -0.166 120.324 120.400 0.150 0.000 2.097 265 K HA 0.054 4.379 4.320 0.008 0.000 0.205 265 K C 1.835 178.618 176.600 0.304 0.000 1.050 265 K CA 0.879 57.276 56.287 0.185 0.000 0.938 265 K CB -0.605 31.955 32.500 0.101 0.000 0.718 265 K HN 0.554 nan 8.250 nan 0.000 0.442 266 L N 0.327 121.756 121.223 0.343 0.000 2.093 266 L HA -0.124 4.221 4.340 0.008 0.000 0.208 266 L C 2.500 179.471 176.870 0.168 0.000 1.085 266 L CA 1.113 56.122 54.840 0.281 0.000 0.755 266 L CB -0.257 41.949 42.059 0.245 0.000 0.904 266 L HN 0.126 nan 8.230 nan 0.000 0.435 267 R N 0.012 120.595 120.500 0.139 0.000 2.096 267 R HA -0.160 4.185 4.340 0.008 0.000 0.235 267 R C 2.083 178.438 176.300 0.093 0.000 1.127 267 R CA 1.251 57.411 56.100 0.101 0.000 0.968 267 R CB -0.233 30.116 30.300 0.082 0.000 0.861 267 R HN 0.441 nan 8.270 nan 0.000 0.440 268 E N 0.378 120.638 120.200 0.100 0.000 2.204 268 E HA -0.119 4.236 4.350 0.008 0.000 0.194 268 E C 1.572 178.224 176.600 0.085 0.000 0.989 268 E CA 0.961 57.410 56.400 0.082 0.000 0.824 268 E CB 0.040 29.785 29.700 0.075 0.000 0.756 268 E HN 0.334 nan 8.360 nan 0.000 0.477 269 A N 0.015 122.902 122.820 0.110 0.000 2.238 269 A HA 0.243 4.567 4.320 0.008 0.000 0.208 269 A C 1.660 179.286 177.584 0.070 0.000 1.177 269 A CA 0.838 52.930 52.037 0.092 0.000 0.804 269 A CB -0.186 18.878 19.000 0.107 0.000 0.823 269 A HN 0.335 nan 8.150 nan 0.000 0.482 270 G N -2.249 106.596 108.800 0.075 0.000 2.176 270 G HA2 0.121 4.086 3.960 0.008 0.000 0.232 270 G HA3 0.121 4.086 3.960 0.008 0.000 0.232 270 G C 0.408 175.358 174.900 0.084 0.000 0.986 270 G CA 0.123 45.266 45.100 0.072 0.000 0.643 270 G HN 1.540 nan 8.290 nan 0.000 0.522 271 A N 0.194 123.064 122.820 0.083 0.000 2.425 271 A HA 0.531 4.855 4.320 0.008 0.000 0.249 271 A C 0.175 177.817 177.584 0.096 0.000 1.084 271 A CA 0.633 52.719 52.037 0.081 0.000 0.781 271 A CB 0.511 19.555 19.000 0.074 0.000 1.019 271 A HN 0.481 nan 8.150 nan 0.000 0.490 272 D N 2.189 122.651 120.400 0.102 0.000 2.428 272 D HA 0.459 5.103 4.640 0.008 0.000 0.221 272 D C -0.583 175.773 176.300 0.094 0.000 1.123 272 D CA 0.079 54.154 54.000 0.125 0.000 0.869 272 D CB -0.006 40.926 40.800 0.220 0.000 1.032 272 D HN 0.354 nan 8.370 nan 0.000 0.506 273 I N 2.682 123.308 120.570 0.094 0.000 2.493 273 I HA 0.359 4.534 4.170 0.008 0.000 0.298 273 I C 0.374 176.548 176.117 0.095 0.000 0.998 273 I CA -0.780 60.575 61.300 0.093 0.000 1.137 273 I CB 1.827 39.874 38.000 0.079 0.000 1.310 273 I HN 0.219 nan 8.210 nan 0.000 0.445 274 E N 3.208 123.485 120.200 0.129 0.000 2.288 274 E HA 0.541 4.896 4.350 0.008 0.000 0.268 274 E C -1.115 175.471 176.600 -0.023 0.000 0.885 274 E CA -0.757 55.718 56.400 0.124 0.000 0.767 274 E CB 2.697 32.572 29.700 0.292 0.000 1.220 274 E HN 0.659 nan 8.360 nan 0.000 0.427 275 T N -1.132 113.241 114.554 -0.301 0.000 2.893 275 T HA 0.796 5.150 4.350 0.008 0.000 0.291 275 T C 0.106 174.082 174.700 -1.207 0.000 1.028 275 T CA -0.776 60.899 62.100 -0.708 0.000 0.995 275 T CB 1.922 70.564 68.868 -0.377 0.000 1.051 275 T HN 0.504 nan 8.240 nan 0.000 0.470 276 G N -0.039 107.594 108.800 -1.946 0.000 3.211 276 G HA2 0.482 4.447 3.960 0.008 0.000 0.262 276 G HA3 0.482 4.447 3.960 0.008 0.000 0.262 276 G C 0.386 174.803 174.900 -0.805 0.000 1.352 276 G CA -0.382 43.769 45.100 -1.582 0.000 1.004 276 G HN 0.867 nan 8.290 nan 0.000 0.559 277 E N -0.599 119.389 120.200 -0.352 0.000 2.038 277 E HA -0.174 4.180 4.350 0.008 0.000 0.195 277 E C 0.495 177.014 176.600 -0.134 0.000 1.000 277 E CA 1.867 58.179 56.400 -0.146 0.000 0.803 277 E CB 0.084 29.786 29.700 0.003 0.000 0.750 277 E HN 0.453 nan 8.360 nan 0.000 0.448 278 D N -0.972 119.398 120.400 -0.050 0.000 2.895 278 D HA 0.074 4.719 4.640 0.008 0.000 0.350 278 D C -0.468 175.926 176.300 0.157 0.000 1.389 278 D CA -0.539 53.482 54.000 0.035 0.000 0.812 278 D CB -0.727 40.124 40.800 0.085 0.000 1.164 278 D HN 0.327 nan 8.370 nan 0.000 0.455 279 W N -0.339 120.959 121.300 -0.003 0.000 3.066 279 W HA 0.643 5.307 4.660 0.007 0.000 0.330 279 W C -2.196 174.327 176.519 0.008 0.000 1.253 279 W CA -1.237 56.107 57.345 -0.001 0.000 1.187 279 W CB 0.407 29.862 29.460 -0.007 0.000 1.434 279 W HN -0.268 nan 8.180 nan 0.000 0.572 280 I N 2.834 123.626 120.570 0.370 0.000 2.607 280 I HA 0.319 4.493 4.170 0.008 0.000 0.290 280 I C -0.164 176.184 176.117 0.385 0.000 1.129 280 I CA -0.711 60.736 61.300 0.245 0.000 1.042 280 I CB 2.547 40.610 38.000 0.105 0.000 1.242 280 I HN 0.447 nan 8.210 nan 0.000 0.421 281 S N 6.624 122.564 115.700 0.400 0.000 2.532 281 S HA 0.867 5.341 4.470 0.008 0.000 0.301 281 S C -0.950 173.743 174.600 0.155 0.000 1.083 281 S CA -0.762 57.592 58.200 0.258 0.000 1.025 281 S CB 2.408 65.759 63.200 0.252 0.000 1.056 281 S HN 0.634 nan 8.310 nan 0.000 0.494 282 L N 1.866 123.144 121.223 0.091 0.000 2.436 282 L HA 0.699 5.044 4.340 0.008 0.000 0.268 282 L C -2.000 174.864 176.870 -0.010 0.000 0.974 282 L CA -0.290 54.582 54.840 0.054 0.000 0.826 282 L CB 1.985 44.081 42.059 0.062 0.000 1.291 282 L HN 0.825 nan 8.230 nan 0.000 0.406 283 D N 4.678 125.040 120.400 -0.063 0.000 2.696 283 D HA 0.323 4.968 4.640 0.008 0.000 0.251 283 D C 0.212 176.375 176.300 -0.228 0.000 1.188 283 D CA -0.436 53.432 54.000 -0.219 0.000 0.876 283 D CB 1.802 42.359 40.800 -0.405 0.000 1.334 283 D HN 0.463 nan 8.370 nan 0.000 0.540 284 M N 1.581 121.084 119.600 -0.162 0.000 2.509 284 M HA 0.046 4.530 4.480 0.008 0.000 0.250 284 M C 0.189 176.504 176.300 0.025 0.000 1.132 284 M CA 0.235 55.512 55.300 -0.039 0.000 1.080 284 M CB -0.704 31.890 32.600 -0.010 0.000 1.408 284 M HN 0.506 nan 8.290 nan 0.000 0.484 285 H N 0.185 119.266 119.070 0.019 0.000 2.770 285 H HA -0.155 4.406 4.556 0.008 0.000 0.309 285 H C 1.327 176.662 175.328 0.011 0.000 1.206 285 H CA 0.877 56.934 56.048 0.015 0.000 1.147 285 H CB -2.131 27.641 29.762 0.017 0.000 1.422 285 H HN 0.650 nan 8.280 nan 0.000 0.420 286 G N -0.260 108.574 108.800 0.056 0.000 2.175 286 G HA2 -0.358 3.607 3.960 0.008 0.000 0.265 286 G HA3 -0.358 3.607 3.960 0.008 0.000 0.265 286 G C 0.409 175.334 174.900 0.041 0.000 0.979 286 G CA 1.029 46.154 45.100 0.040 0.000 0.663 286 G HN 0.537 nan 8.290 nan 0.000 0.533 287 K N -0.113 120.320 120.400 0.056 0.000 2.098 287 K HA 0.484 4.809 4.320 0.008 0.000 0.261 287 K C 0.771 177.388 176.600 0.028 0.000 0.987 287 K CA -0.858 55.457 56.287 0.046 0.000 0.916 287 K CB 1.216 33.754 32.500 0.063 0.000 1.039 287 K HN 0.249 nan 8.250 nan 0.000 0.455 288 R N 2.503 123.016 120.500 0.021 0.000 2.594 288 R HA 0.140 4.485 4.340 0.008 0.000 0.272 288 R C -2.119 174.190 176.300 0.015 0.000 1.074 288 R CA -1.200 54.907 56.100 0.011 0.000 1.105 288 R CB 0.404 30.709 30.300 0.008 0.000 1.008 288 R HN 0.386 nan 8.270 nan 0.000 0.472 289 P HA 0.118 nan 4.420 nan 0.000 0.274 289 P C -1.315 175.997 177.300 0.019 0.000 1.246 289 P CA -0.200 62.907 63.100 0.012 0.000 0.795 289 P CB 0.755 32.450 31.700 -0.008 0.000 1.006 290 K N 0.442 120.860 120.400 0.030 0.000 2.130 290 K HA 0.552 4.877 4.320 0.008 0.000 0.268 290 K C 0.153 176.775 176.600 0.037 0.000 0.983 290 K CA -0.732 55.575 56.287 0.032 0.000 0.893 290 K CB 1.460 33.983 32.500 0.037 0.000 1.066 290 K HN 0.553 nan 8.250 nan 0.000 0.450 291 A N 1.879 124.717 122.820 0.030 0.000 2.483 291 A HA 0.361 4.686 4.320 0.008 0.000 0.238 291 A C 0.294 177.901 177.584 0.037 0.000 1.070 291 A CA -0.334 51.721 52.037 0.029 0.000 0.770 291 A CB 0.051 19.059 19.000 0.014 0.000 1.008 291 A HN 0.536 nan 8.150 nan 0.000 0.497 292 V N -0.811 119.131 119.914 0.047 0.000 3.141 292 V HA 0.851 4.976 4.120 0.008 0.000 0.312 292 V C -0.122 175.972 176.094 -0.001 0.000 1.157 292 V CA -0.660 61.664 62.300 0.040 0.000 1.041 292 V CB 1.640 33.516 31.823 0.089 0.000 1.071 292 V HN 0.780 nan 8.190 nan 0.000 0.441 293 T N 1.776 116.312 114.554 -0.030 0.000 2.771 293 T HA 0.718 5.073 4.350 0.008 0.000 0.281 293 T C -0.507 174.112 174.700 -0.135 0.000 0.982 293 T CA -0.302 61.759 62.100 -0.065 0.000 0.978 293 T CB 1.290 70.128 68.868 -0.050 0.000 0.930 293 T HN 0.734 nan 8.240 nan 0.000 0.447 294 V N 4.424 124.223 119.914 -0.191 0.000 2.656 294 V HA 0.569 4.693 4.120 0.008 0.000 0.307 294 V C -0.261 175.682 176.094 -0.253 0.000 1.051 294 V CA -1.006 61.068 62.300 -0.377 0.000 0.893 294 V CB 2.107 33.541 31.823 -0.649 0.000 0.999 294 V HN 0.744 nan 8.190 nan 0.000 0.426 295 R N 2.038 122.401 120.500 -0.229 0.000 2.435 295 R HA 0.510 4.855 4.340 0.008 0.000 0.308 295 R C -0.172 176.111 176.300 -0.029 0.000 0.975 295 R CA -0.518 55.530 56.100 -0.087 0.000 0.867 295 R CB 2.049 32.323 30.300 -0.042 0.000 1.171 295 R HN 0.893 nan 8.270 nan 0.000 0.470 296 T N -0.098 114.487 114.554 0.052 0.000 2.899 296 T HA 0.725 5.079 4.350 0.008 0.000 0.295 296 T C 0.243 175.021 174.700 0.131 0.000 1.033 296 T CA -0.456 61.761 62.100 0.195 0.000 1.084 296 T CB 1.676 70.694 68.868 0.251 0.000 0.979 296 T HN 0.659 nan 8.240 nan 0.000 0.532 297 A N 2.728 125.634 122.820 0.144 0.000 2.564 297 A HA 0.763 5.088 4.320 0.008 0.000 0.291 297 A C -3.127 174.513 177.584 0.093 0.000 1.102 297 A CA -1.727 50.358 52.037 0.079 0.000 0.660 297 A CB 0.234 19.261 19.000 0.045 0.000 1.283 297 A HN 0.662 nan 8.150 nan 0.000 0.430 298 P HA 0.247 nan 4.420 nan 0.000 0.267 298 P C -0.389 176.962 177.300 0.086 0.000 1.200 298 P CA 0.405 63.559 63.100 0.091 0.000 0.772 298 P CB 0.138 31.873 31.700 0.057 0.000 0.855 299 H N 4.717 123.807 119.070 0.033 0.000 3.038 299 H HA -0.005 4.555 4.556 0.007 0.000 0.338 299 H C -1.163 174.172 175.328 0.011 0.000 1.041 299 H CA -0.605 55.450 56.048 0.012 0.000 1.394 299 H CB 0.289 30.055 29.762 0.006 0.000 1.357 299 H HN 0.332 nan 8.280 nan 0.000 0.600 300 P HA 0.099 nan 4.420 nan 0.000 0.255 300 P C -0.297 176.780 177.300 -0.372 0.000 1.301 300 P CA 0.293 62.836 63.100 -0.928 0.000 0.817 300 P CB -0.021 31.302 31.700 -0.628 0.000 1.259 301 A N 0.425 123.148 122.820 -0.162 0.000 2.262 301 A HA 0.269 4.594 4.320 0.008 0.000 0.273 301 A C -0.210 177.386 177.584 0.021 0.000 1.202 301 A CA -0.578 51.438 52.037 -0.034 0.000 0.811 301 A CB -0.580 18.429 19.000 0.015 0.000 1.159 301 A HN 0.159 nan 8.150 nan 0.000 0.505 302 F N 1.619 121.533 119.950 -0.060 0.000 2.578 302 F HA 0.285 4.816 4.527 0.007 0.000 0.381 302 F C -1.668 174.120 175.800 -0.019 0.000 1.069 302 F CA -1.418 56.538 58.000 -0.072 0.000 1.231 302 F CB 0.650 39.573 39.000 -0.129 0.000 1.086 302 F HN 0.253 nan 8.300 nan 0.000 0.564 303 P HA -0.005 nan 4.420 nan 0.000 0.280 303 P C 0.296 177.616 177.300 0.034 0.000 1.244 303 P CA -0.112 62.919 63.100 -0.115 0.000 0.784 303 P CB 1.564 33.155 31.700 -0.182 0.000 0.913 304 T N 1.283 115.922 114.554 0.141 0.000 2.849 304 T HA -0.138 4.216 4.350 0.008 0.000 0.270 304 T C 0.988 175.723 174.700 0.057 0.000 1.066 304 T CA 1.602 63.796 62.100 0.156 0.000 1.130 304 T CB -0.669 68.306 68.868 0.178 0.000 0.864 304 T HN 0.312 nan 8.240 nan 0.000 0.481 305 D N 0.401 120.794 120.400 -0.012 0.000 2.392 305 D HA 0.033 4.677 4.640 0.008 0.000 0.228 305 D C 1.349 177.653 176.300 0.006 0.000 1.003 305 D CA 0.527 54.505 54.000 -0.037 0.000 0.917 305 D CB 0.045 40.803 40.800 -0.070 0.000 0.890 305 D HN 0.414 nan 8.370 nan 0.000 0.532 306 M N -0.172 119.448 119.600 0.033 0.000 2.333 306 M HA 0.046 4.530 4.480 0.008 0.000 0.257 306 M C 1.683 178.236 176.300 0.422 0.000 1.078 306 M CA 0.122 55.513 55.300 0.150 0.000 1.005 306 M CB 0.366 32.913 32.600 -0.089 0.000 1.444 306 M HN -0.010 nan 8.290 nan 0.000 0.496 307 Q N 1.200 121.219 119.800 0.365 0.000 2.050 307 Q HA -0.115 4.229 4.340 0.008 0.000 0.202 307 Q C 1.753 177.950 176.000 0.328 0.000 0.980 307 Q CA 2.154 58.191 55.803 0.389 0.000 0.840 307 Q CB 0.019 28.913 28.738 0.259 0.000 0.898 307 Q HN 0.444 nan 8.270 nan 0.000 0.424 308 A N 0.662 123.573 122.820 0.153 0.000 1.908 308 A HA -0.259 4.065 4.320 0.008 0.000 0.218 308 A C 2.012 179.663 177.584 0.111 0.000 1.181 308 A CA 1.883 53.910 52.037 -0.016 0.000 0.627 308 A CB -0.536 18.182 19.000 -0.470 0.000 0.818 308 A HN 0.517 nan 8.150 nan 0.000 0.445 309 Q N -1.367 118.514 119.800 0.136 0.000 2.079 309 Q HA -0.045 4.300 4.340 0.008 0.000 0.200 309 Q C 1.641 177.696 176.000 0.091 0.000 0.974 309 Q CA 1.588 57.448 55.803 0.095 0.000 0.840 309 Q CB -0.397 28.396 28.738 0.092 0.000 0.898 309 Q HN 0.693 nan 8.270 nan 0.000 0.430 310 F N -0.043 120.007 119.950 0.167 0.000 2.325 310 F HA -0.086 4.447 4.527 0.010 0.000 0.299 310 F C 2.165 178.032 175.800 0.112 0.000 1.090 310 F CA 1.077 59.166 58.000 0.149 0.000 1.392 310 F CB -0.308 38.801 39.000 0.182 0.000 1.053 310 F HN 0.010 nan 8.300 nan 0.000 0.521 311 T N 0.548 115.285 114.554 0.305 0.000 2.746 311 T HA -0.187 4.167 4.350 0.008 0.000 0.267 311 T C 2.038 176.827 174.700 0.148 0.000 1.039 311 T CA 1.305 63.545 62.100 0.233 0.000 1.142 311 T CB -0.530 68.547 68.868 0.349 0.000 0.866 311 T HN 0.145 nan 8.240 nan 0.000 0.444 312 L N 1.311 122.627 121.223 0.155 0.000 2.042 312 L HA 0.029 4.374 4.340 0.008 0.000 0.210 312 L C 2.202 179.076 176.870 0.006 0.000 1.076 312 L CA 1.534 56.418 54.840 0.073 0.000 0.749 312 L CB -0.860 41.232 42.059 0.055 0.000 0.893 312 L HN 0.271 nan 8.230 nan 0.000 0.432 313 L N -0.432 120.766 121.223 -0.041 0.000 2.012 313 L HA -0.264 4.081 4.340 0.008 0.000 0.210 313 L C 2.248 179.100 176.870 -0.030 0.000 1.073 313 L CA 1.848 56.633 54.840 -0.091 0.000 0.748 313 L CB -0.572 41.340 42.059 -0.245 0.000 0.891 313 L HN 0.383 nan 8.230 nan 0.000 0.431 314 N N -0.013 118.693 118.700 0.011 0.000 2.166 314 N HA -0.157 4.588 4.740 0.008 0.000 0.186 314 N C 1.800 177.305 175.510 -0.008 0.000 1.019 314 N CA 1.405 54.461 53.050 0.011 0.000 0.856 314 N CB -0.376 38.122 38.487 0.018 0.000 0.993 314 N HN 0.379 nan 8.380 nan 0.000 0.426 315 L N 0.322 121.542 121.223 -0.007 0.000 2.456 315 L HA -0.036 4.309 4.340 0.008 0.000 0.224 315 L C 1.375 178.228 176.870 -0.028 0.000 1.148 315 L CA 0.517 55.347 54.840 -0.018 0.000 0.825 315 L CB -0.048 42.005 42.059 -0.010 0.000 0.937 315 L HN 0.080 nan 8.230 nan 0.000 0.450 316 V N -4.806 115.093 119.914 -0.025 0.000 3.276 316 V HA 0.516 4.640 4.120 0.008 0.000 0.319 316 V C 0.796 176.878 176.094 -0.020 0.000 1.427 316 V CA -0.261 62.021 62.300 -0.030 0.000 1.102 316 V CB -0.341 31.464 31.823 -0.030 0.000 1.020 316 V HN 0.101 nan 8.190 nan 0.000 0.456 317 A N 0.448 123.260 122.820 -0.012 0.000 2.257 317 A HA 0.648 4.972 4.320 0.008 0.000 0.289 317 A C 0.131 177.719 177.584 0.006 0.000 1.095 317 A CA -0.573 51.463 52.037 -0.002 0.000 0.836 317 A CB 0.326 19.329 19.000 0.005 0.000 1.111 317 A HN 0.559 nan 8.150 nan 0.000 0.497 318 E N 0.038 120.246 120.200 0.013 0.000 2.152 318 E HA 0.458 4.812 4.350 0.008 0.000 0.285 318 E C 0.466 177.082 176.600 0.026 0.000 1.043 318 E CA 0.735 57.147 56.400 0.019 0.000 0.839 318 E CB 0.667 30.378 29.700 0.019 0.000 1.069 318 E HN 1.237 nan 8.360 nan 0.000 0.399 319 G N 2.561 111.383 108.800 0.036 0.000 2.483 319 G HA2 -0.171 3.794 3.960 0.008 0.000 0.521 319 G HA3 -0.171 3.794 3.960 0.008 0.000 0.521 319 G C -0.521 174.410 174.900 0.052 0.000 1.278 319 G CA -0.908 44.220 45.100 0.046 0.000 0.965 319 G HN 0.427 nan 8.290 nan 0.000 0.504 320 T N 0.352 114.937 114.554 0.051 0.000 2.855 320 T HA 0.772 5.127 4.350 0.008 0.000 0.281 320 T C 0.464 175.146 174.700 -0.029 0.000 1.007 320 T CA 0.481 62.589 62.100 0.013 0.000 1.009 320 T CB 1.616 70.538 68.868 0.090 0.000 0.983 320 T HN 1.838 nan 8.240 nan 0.000 0.455 321 G N 0.823 109.574 108.800 -0.082 0.000 2.706 321 G HA2 0.636 4.601 3.960 0.008 0.000 0.297 321 G HA3 0.636 4.601 3.960 0.008 0.000 0.297 321 G C -1.061 173.780 174.900 -0.098 0.000 1.403 321 G CA -0.691 44.373 45.100 -0.061 0.000 0.954 321 G HN 0.860 nan 8.290 nan 0.000 0.500 322 V N -0.702 119.164 119.914 -0.079 0.000 2.715 322 V HA 0.861 4.986 4.120 0.008 0.000 0.310 322 V C -0.496 175.556 176.094 -0.070 0.000 1.054 322 V CA -1.158 61.086 62.300 -0.093 0.000 0.928 322 V CB 1.633 33.406 31.823 -0.084 0.000 1.007 322 V HN 0.658 nan 8.190 nan 0.000 0.437 323 I N 3.001 123.534 120.570 -0.061 0.000 2.436 323 I HA 0.554 4.728 4.170 0.008 0.000 0.289 323 I C -0.242 175.913 176.117 0.063 0.000 1.010 323 I CA -0.228 61.071 61.300 -0.003 0.000 1.098 323 I CB 2.362 40.413 38.000 0.085 0.000 1.266 323 I HN 0.736 nan 8.210 nan 0.000 0.434 324 T N 4.743 119.342 114.554 0.075 0.000 2.824 324 T HA 0.306 4.660 4.350 0.008 0.000 0.282 324 T C -0.467 174.337 174.700 0.173 0.000 0.993 324 T CA -0.692 61.491 62.100 0.138 0.000 0.967 324 T CB 1.728 70.628 68.868 0.053 0.000 0.960 324 T HN 0.366 nan 8.240 nan 0.000 0.441 325 E N 2.329 122.678 120.200 0.250 0.000 2.115 325 E HA 0.186 4.541 4.350 0.008 0.000 0.282 325 E C 0.952 177.609 176.600 0.095 0.000 0.987 325 E CA -0.114 56.380 56.400 0.156 0.000 0.797 325 E CB 1.580 31.336 29.700 0.093 0.000 1.086 325 E HN 0.833 nan 8.360 nan 0.000 0.397 326 T N 0.044 114.629 114.554 0.050 0.000 3.081 326 T HA 0.070 4.425 4.350 0.008 0.000 0.255 326 T C 1.342 175.998 174.700 -0.074 0.000 1.113 326 T CA 0.215 62.315 62.100 -0.002 0.000 1.082 326 T CB 0.219 69.083 68.868 -0.007 0.000 0.939 326 T HN 0.263 nan 8.240 nan 0.000 0.506 327 I N -0.892 119.585 120.570 -0.155 0.000 3.570 327 I HA 0.397 4.572 4.170 0.008 0.000 0.270 327 I C 0.056 175.904 176.117 -0.448 0.000 1.162 327 I CA -0.269 60.795 61.300 -0.394 0.000 1.413 327 I CB -0.648 36.915 38.000 -0.729 0.000 1.437 327 I HN 0.155 nan 8.210 nan 0.000 0.457 328 F N 2.424 122.369 119.950 -0.007 0.000 2.384 328 F HA 0.335 4.867 4.527 0.009 0.000 0.338 328 F C 0.851 176.625 175.800 -0.043 0.000 1.103 328 F CA -0.381 57.602 58.000 -0.028 0.000 1.157 328 F CB 0.454 39.426 39.000 -0.047 0.000 1.167 328 F HN -0.040 nan 8.300 nan 0.000 0.529 329 E N 0.280 120.576 120.200 0.159 0.000 2.222 329 E HA 0.238 4.593 4.350 0.008 0.000 0.267 329 E C -0.357 176.266 176.600 0.039 0.000 0.963 329 E CA -0.961 55.487 56.400 0.079 0.000 0.837 329 E CB 0.956 30.699 29.700 0.070 0.000 1.183 329 E HN 0.573 nan 8.360 nan 0.000 0.403 330 N N 1.146 119.863 118.700 0.029 0.000 2.738 330 N HA -0.184 4.561 4.740 0.008 0.000 0.249 330 N C -0.490 174.975 175.510 -0.073 0.000 1.047 330 N CA 0.343 53.405 53.050 0.020 0.000 0.707 330 N CB -0.349 38.159 38.487 0.035 0.000 0.937 330 N HN 0.429 nan 8.380 nan 0.000 0.545 331 R N -0.175 120.152 120.500 -0.289 0.000 2.427 331 R HA 0.174 4.519 4.340 0.008 0.000 0.262 331 R C 0.115 176.141 176.300 -0.457 0.000 0.943 331 R CA 0.201 56.048 56.100 -0.421 0.000 1.081 331 R CB -0.121 29.857 30.300 -0.537 0.000 1.166 331 R HN 0.303 nan 8.270 nan 0.000 0.534 332 F N -0.355 119.667 119.950 0.120 0.000 2.791 332 F HA 0.336 4.867 4.527 0.006 0.000 0.308 332 F C 1.581 177.414 175.800 0.054 0.000 1.138 332 F CA -0.285 57.777 58.000 0.104 0.000 1.294 332 F CB 0.038 39.050 39.000 0.021 0.000 0.975 332 F HN -0.173 nan 8.300 nan 0.000 0.512 333 M N -0.486 119.244 119.600 0.216 0.000 2.549 333 M HA -0.151 4.334 4.480 0.008 0.000 0.260 333 M C 1.887 178.275 176.300 0.146 0.000 1.076 333 M CA 1.425 56.812 55.300 0.145 0.000 1.090 333 M CB -0.666 31.991 32.600 0.096 0.000 1.418 333 M HN 0.463 nan 8.290 nan 0.000 0.486 334 H N -2.432 116.688 119.070 0.082 0.000 2.551 334 H HA 0.140 4.699 4.556 0.006 0.000 0.266 334 H C 1.661 177.038 175.328 0.080 0.000 0.964 334 H CA 0.145 56.233 56.048 0.067 0.000 1.180 334 H CB -0.323 29.473 29.762 0.056 0.000 1.408 334 H HN 0.059 nan 8.280 nan 0.000 0.563 335 V N 1.683 121.346 119.914 -0.418 0.000 2.343 335 V HA -0.120 4.004 4.120 0.008 0.000 0.247 335 V C -0.374 175.660 176.094 -0.101 0.000 1.051 335 V CA 1.671 63.787 62.300 -0.306 0.000 1.036 335 V CB -0.999 30.686 31.823 -0.230 0.000 0.654 335 V HN 0.422 nan 8.190 nan 0.000 0.451 336 P HA -0.108 nan 4.420 nan 0.000 0.220 336 P C 1.593 178.899 177.300 0.010 0.000 1.148 336 P CA 1.058 64.156 63.100 -0.003 0.000 0.803 336 P CB 0.020 31.729 31.700 0.014 0.000 0.782 337 E N -0.486 119.726 120.200 0.019 0.000 2.072 337 E HA -0.086 4.269 4.350 0.008 0.000 0.191 337 E C 2.074 178.693 176.600 0.032 0.000 0.985 337 E CA 0.992 57.414 56.400 0.037 0.000 0.801 337 E CB -0.865 28.874 29.700 0.065 0.000 0.750 337 E HN 0.328 nan 8.360 nan 0.000 0.452 338 L N 0.518 121.752 121.223 0.019 0.000 2.141 338 L HA -0.093 4.251 4.340 0.008 0.000 0.209 338 L C 2.502 179.382 176.870 0.016 0.000 1.094 338 L CA 0.629 55.480 54.840 0.019 0.000 0.763 338 L CB -0.319 41.745 42.059 0.008 0.000 0.908 338 L HN 0.074 nan 8.230 nan 0.000 0.437 339 I N -0.425 120.155 120.570 0.016 0.000 2.394 339 I HA -0.258 3.916 4.170 0.008 0.000 0.251 339 I C 2.523 178.666 176.117 0.043 0.000 1.136 339 I CA 1.150 62.474 61.300 0.040 0.000 1.425 339 I CB -0.226 37.795 38.000 0.035 0.000 1.079 339 I HN 0.202 nan 8.210 nan 0.000 0.425 340 R N 0.171 120.690 120.500 0.032 0.000 2.235 340 R HA -0.010 4.335 4.340 0.008 0.000 0.213 340 R C 1.768 178.085 176.300 0.029 0.000 1.059 340 R CA 0.875 56.993 56.100 0.031 0.000 0.997 340 R CB -0.073 30.244 30.300 0.028 0.000 0.884 340 R HN 0.371 nan 8.270 nan 0.000 0.462 341 M N -0.840 118.775 119.600 0.025 0.000 2.494 341 M HA 0.172 4.656 4.480 0.008 0.000 0.232 341 M C 0.655 176.959 176.300 0.007 0.000 1.137 341 M CA 0.393 55.702 55.300 0.016 0.000 1.012 341 M CB 1.266 33.875 32.600 0.015 0.000 1.567 341 M HN 0.399 nan 8.290 nan 0.000 0.486 342 G N 0.386 109.197 108.800 0.018 0.000 2.179 342 G HA2 -0.158 3.806 3.960 0.008 0.000 0.220 342 G HA3 -0.158 3.806 3.960 0.008 0.000 0.220 342 G C 0.184 175.052 174.900 -0.054 0.000 0.990 342 G CA -0.105 44.998 45.100 0.004 0.000 0.646 342 G HN 0.633 nan 8.290 nan 0.000 0.517 343 A N 0.026 122.836 122.820 -0.016 0.000 2.366 343 A HA 0.676 5.000 4.320 0.008 0.000 0.249 343 A C 0.012 177.681 177.584 0.140 0.000 1.084 343 A CA 0.133 52.149 52.037 -0.035 0.000 0.794 343 A CB 0.268 19.265 19.000 -0.006 0.000 1.034 343 A HN 0.643 nan 8.150 nan 0.000 0.491 344 H N -0.104 118.988 119.070 0.037 0.000 2.708 344 H HA 0.582 5.143 4.556 0.008 0.000 0.320 344 H C -0.122 175.261 175.328 0.092 0.000 0.991 344 H CA -0.036 56.056 56.048 0.074 0.000 1.243 344 H CB 1.472 31.298 29.762 0.107 0.000 1.446 344 H HN 0.930 nan 8.280 nan 0.000 0.502 345 A N 3.156 126.076 122.820 0.167 0.000 2.606 345 A HA 0.560 4.885 4.320 0.008 0.000 0.293 345 A C -1.286 176.310 177.584 0.020 0.000 1.082 345 A CA -0.911 51.154 52.037 0.045 0.000 0.685 345 A CB 1.897 20.870 19.000 -0.045 0.000 1.284 345 A HN 0.634 nan 8.150 nan 0.000 0.408 346 E N 0.397 120.578 120.200 -0.031 0.000 2.234 346 E HA 0.618 4.972 4.350 0.008 0.000 0.266 346 E C -1.207 175.321 176.600 -0.121 0.000 0.877 346 E CA -0.149 56.227 56.400 -0.041 0.000 0.758 346 E CB 2.062 31.764 29.700 0.002 0.000 1.170 346 E HN 0.520 nan 8.360 nan 0.000 0.415 347 I N 2.728 123.227 120.570 -0.119 0.000 2.321 347 I HA 0.304 4.478 4.170 0.008 0.000 0.291 347 I C -0.306 175.749 176.117 -0.103 0.000 0.998 347 I CA -0.365 60.827 61.300 -0.180 0.000 1.227 347 I CB 1.054 38.974 38.000 -0.133 0.000 1.368 347 I HN 0.351 nan 8.210 nan 0.000 0.466 348 E N 4.904 125.035 120.200 -0.114 0.000 2.265 348 E HA 0.374 4.729 4.350 0.008 0.000 0.262 348 E C -0.285 176.304 176.600 -0.018 0.000 0.889 348 E CA -0.327 56.045 56.400 -0.048 0.000 0.789 348 E CB 2.072 31.746 29.700 -0.043 0.000 1.221 348 E HN 0.691 nan 8.360 nan 0.000 0.414 349 S N 3.321 119.035 115.700 0.023 0.000 4.059 349 S HA -0.276 4.199 4.470 0.008 0.000 0.624 349 S C 0.648 175.323 174.600 0.126 0.000 2.019 349 S CA 1.950 60.186 58.200 0.059 0.000 4.197 349 S CB -0.899 62.325 63.200 0.040 0.000 0.215 349 S HN 0.904 nan 8.310 nan 0.000 0.609 350 N N 2.211 120.997 118.700 0.144 0.000 2.327 350 N HA 0.229 4.974 4.740 0.008 0.000 0.231 350 N C -0.079 175.623 175.510 0.319 0.000 1.130 350 N CA 0.790 54.011 53.050 0.286 0.000 0.845 350 N CB -0.077 38.518 38.487 0.181 0.000 1.073 350 N HN 0.887 nan 8.380 nan 0.000 0.496 351 T N -3.571 111.015 114.554 0.053 0.000 2.900 351 T HA 0.545 4.900 4.350 0.008 0.000 0.295 351 T C -0.934 173.448 174.700 -0.531 0.000 1.044 351 T CA -0.882 61.126 62.100 -0.154 0.000 0.995 351 T CB 2.098 70.918 68.868 -0.080 0.000 1.072 351 T HN -0.083 nan 8.240 nan 0.000 0.473 352 V N 3.936 123.485 119.914 -0.608 0.000 2.444 352 V HA 0.618 4.742 4.120 0.008 0.000 0.294 352 V C -0.903 175.010 176.094 -0.301 0.000 1.022 352 V CA -1.207 60.752 62.300 -0.569 0.000 0.850 352 V CB 0.962 32.346 31.823 -0.731 0.000 0.992 352 V HN 0.964 nan 8.190 nan 0.000 0.426 353 I N 6.885 127.308 120.570 -0.246 0.000 2.304 353 I HA 0.391 4.565 4.170 0.008 0.000 0.291 353 I C -0.263 175.638 176.117 -0.361 0.000 1.018 353 I CA -0.219 60.931 61.300 -0.250 0.000 1.260 353 I CB 1.001 38.895 38.000 -0.176 0.000 1.390 353 I HN 0.518 nan 8.210 nan 0.000 0.475 354 C N 5.620 124.689 119.300 -0.385 0.000 2.355 354 C HA 0.454 4.918 4.460 0.008 0.000 0.332 354 C C -0.038 174.657 174.990 -0.493 0.000 1.255 354 C CA -0.607 58.208 59.018 -0.339 0.000 1.792 354 C CB 0.283 27.933 27.740 -0.151 0.000 2.300 354 C HN 0.605 nan 8.230 nan 0.000 0.515 355 H N 1.434 120.522 119.070 0.030 0.000 2.762 355 H HA 0.316 4.877 4.556 0.007 0.000 0.310 355 H C 0.510 175.853 175.328 0.025 0.000 1.004 355 H CA -0.032 56.043 56.048 0.045 0.000 1.267 355 H CB 1.213 31.028 29.762 0.089 0.000 1.437 355 H HN 0.938 nan 8.280 nan 0.000 0.498 356 G N 2.218 111.060 108.800 0.070 0.000 2.353 356 G HA2 0.299 4.263 3.960 0.008 0.000 0.239 356 G HA3 0.299 4.263 3.960 0.008 0.000 0.239 356 G C 0.457 175.349 174.900 -0.013 0.000 1.295 356 G CA -0.197 44.912 45.100 0.015 0.000 0.884 356 G HN 0.448 nan 8.290 nan 0.000 0.537 357 V N 0.271 120.141 119.914 -0.073 0.000 2.919 357 V HA 0.562 4.686 4.120 0.008 0.000 0.316 357 V C 1.037 177.091 176.094 -0.066 0.000 1.077 357 V CA -0.629 61.604 62.300 -0.111 0.000 0.977 357 V CB 1.990 33.666 31.823 -0.245 0.000 1.039 357 V HN 0.839 nan 8.190 nan 0.000 0.441 358 E N 1.284 121.454 120.200 -0.051 0.000 2.072 358 E HA 0.026 4.381 4.350 0.008 0.000 0.190 358 E C 0.202 176.782 176.600 -0.033 0.000 0.982 358 E CA 0.954 57.336 56.400 -0.031 0.000 0.803 358 E CB 0.283 29.971 29.700 -0.019 0.000 0.755 358 E HN 0.762 nan 8.360 nan 0.000 0.453 359 K N 0.303 120.678 120.400 -0.042 0.000 2.501 359 K HA 0.400 4.724 4.320 0.008 0.000 0.252 359 K C -1.014 175.561 176.600 -0.042 0.000 0.934 359 K CA -0.551 55.716 56.287 -0.034 0.000 0.797 359 K CB 2.329 34.815 32.500 -0.022 0.000 1.270 359 K HN -0.034 nan 8.250 nan 0.000 0.431 360 L N 0.880 122.084 121.223 -0.033 0.000 2.400 360 L HA 0.495 4.839 4.340 0.008 0.000 0.264 360 L C -0.082 176.779 176.870 -0.015 0.000 1.061 360 L CA -0.754 54.070 54.840 -0.028 0.000 0.799 360 L CB 1.767 43.815 42.059 -0.020 0.000 1.240 360 L HN 0.586 nan 8.230 nan 0.000 0.461 361 S N -0.541 115.154 115.700 -0.007 0.000 2.500 361 S HA 0.516 4.991 4.470 0.008 0.000 0.301 361 S C 0.060 174.663 174.600 0.006 0.000 1.092 361 S CA -0.688 57.512 58.200 0.000 0.000 1.030 361 S CB 1.806 65.009 63.200 0.004 0.000 1.031 361 S HN 0.774 nan 8.310 nan 0.000 0.483 362 G N 1.135 109.940 108.800 0.007 0.000 2.484 362 G HA2 0.511 4.475 3.960 0.008 0.000 0.235 362 G HA3 0.511 4.475 3.960 0.008 0.000 0.235 362 G C -0.232 174.677 174.900 0.016 0.000 1.282 362 G CA 0.179 45.286 45.100 0.012 0.000 0.857 362 G HN 1.010 nan 8.290 nan 0.000 0.571 363 A N 1.336 124.168 122.820 0.021 0.000 2.581 363 A HA 0.681 5.006 4.320 0.008 0.000 0.290 363 A C -0.618 176.984 177.584 0.029 0.000 1.119 363 A CA -0.729 51.322 52.037 0.024 0.000 0.670 363 A CB 0.984 19.998 19.000 0.024 0.000 1.280 363 A HN 0.623 nan 8.150 nan 0.000 0.425 364 Q N 0.521 120.338 119.800 0.029 0.000 2.322 364 Q HA 0.507 4.851 4.340 0.008 0.000 0.256 364 Q C -0.358 175.663 176.000 0.035 0.000 0.960 364 Q CA -0.465 55.357 55.803 0.032 0.000 0.934 364 Q CB 1.380 30.136 28.738 0.029 0.000 1.200 364 Q HN 0.886 nan 8.270 nan 0.000 0.435 365 V N 0.046 119.985 119.914 0.040 0.000 3.102 365 V HA 0.819 4.944 4.120 0.008 0.000 0.312 365 V C -0.751 175.371 176.094 0.047 0.000 1.135 365 V CA -1.148 61.178 62.300 0.045 0.000 1.022 365 V CB 2.471 34.324 31.823 0.049 0.000 1.056 365 V HN 0.846 nan 8.190 nan 0.000 0.436 366 M N 1.924 121.554 119.600 0.050 0.000 2.414 366 M HA 0.827 5.312 4.480 0.008 0.000 0.287 366 M C -1.721 174.612 176.300 0.054 0.000 1.181 366 M CA -0.368 54.961 55.300 0.048 0.000 0.933 366 M CB 2.114 34.742 32.600 0.046 0.000 1.732 366 M HN 1.452 nan 8.290 nan 0.000 0.486 367 A N 1.535 124.381 122.820 0.042 0.000 2.449 367 A HA 0.661 4.986 4.320 0.008 0.000 0.302 367 A C 0.220 177.801 177.584 -0.005 0.000 1.048 367 A CA -0.132 51.924 52.037 0.031 0.000 0.708 367 A CB 1.443 20.460 19.000 0.030 0.000 1.274 367 A HN 0.916 nan 8.150 nan 0.000 0.410 368 T N -1.852 112.680 114.554 -0.037 0.000 3.107 368 T HA 0.175 4.529 4.350 0.008 0.000 0.249 368 T C 0.134 174.607 174.700 -0.378 0.000 1.096 368 T CA 0.888 62.920 62.100 -0.114 0.000 1.012 368 T CB -0.441 68.402 68.868 -0.042 0.000 0.977 368 T HN 0.647 nan 8.240 nan 0.000 0.527 369 D N 0.262 120.504 120.400 -0.264 0.000 2.168 369 D HA 0.374 5.018 4.640 0.008 0.000 0.246 369 D C 1.149 177.306 176.300 -0.237 0.000 1.050 369 D CA -0.881 52.947 54.000 -0.288 0.000 0.857 369 D CB 1.361 42.053 40.800 -0.180 0.000 1.169 369 D HN -0.059 nan 8.370 nan 0.000 0.453 370 L N 4.341 125.430 121.223 -0.224 0.000 1.997 370 L HA -0.183 4.161 4.340 0.008 0.000 0.216 370 L C 1.837 178.717 176.870 0.016 0.000 1.074 370 L CA 1.829 56.633 54.840 -0.059 0.000 0.763 370 L CB -0.439 41.606 42.059 -0.023 0.000 0.890 370 L HN 0.479 nan 8.230 nan 0.000 0.434 371 R N -0.012 120.473 120.500 -0.025 0.000 2.115 371 R HA 0.082 4.426 4.340 0.008 0.000 0.226 371 R C 2.218 178.455 176.300 -0.105 0.000 1.100 371 R CA 1.248 57.343 56.100 -0.008 0.000 0.980 371 R CB -1.443 28.838 30.300 -0.032 0.000 0.875 371 R HN 0.562 nan 8.270 nan 0.000 0.445 372 A N 0.462 123.175 122.820 -0.178 0.000 1.930 372 A HA -0.114 4.210 4.320 0.008 0.000 0.217 372 A C 2.400 179.907 177.584 -0.128 0.000 1.175 372 A CA 1.713 53.581 52.037 -0.282 0.000 0.627 372 A CB -0.522 18.331 19.000 -0.245 0.000 0.815 372 A HN 0.311 nan 8.150 nan 0.000 0.443 373 S N -0.264 115.389 115.700 -0.077 0.000 2.356 373 S HA -0.058 4.417 4.470 0.008 0.000 0.223 373 S C 2.207 176.780 174.600 -0.044 0.000 1.032 373 S CA 1.581 59.760 58.200 -0.034 0.000 1.005 373 S CB -0.473 62.713 63.200 -0.023 0.000 0.867 373 S HN 0.806 nan 8.310 nan 0.000 0.449 374 A N 1.158 123.928 122.820 -0.083 0.000 1.933 374 A HA -0.077 4.247 4.320 0.008 0.000 0.218 374 A C 2.420 179.912 177.584 -0.154 0.000 1.175 374 A CA 2.245 54.168 52.037 -0.189 0.000 0.628 374 A CB -1.166 17.629 19.000 -0.343 0.000 0.814 374 A HN 0.810 nan 8.150 nan 0.000 0.444 375 S N -0.181 115.453 115.700 -0.111 0.000 2.402 375 S HA -0.050 4.425 4.470 0.008 0.000 0.229 375 S C 1.845 176.428 174.600 -0.028 0.000 1.021 375 S CA 1.307 59.461 58.200 -0.078 0.000 0.974 375 S CB -0.627 62.526 63.200 -0.078 0.000 0.800 375 S HN 0.459 nan 8.310 nan 0.000 0.484 376 L N 0.915 122.134 121.223 -0.007 0.000 2.156 376 L HA 0.002 4.347 4.340 0.008 0.000 0.208 376 L C 2.663 179.538 176.870 0.008 0.000 1.095 376 L CA 0.686 55.543 54.840 0.028 0.000 0.770 376 L CB -0.548 41.540 42.059 0.048 0.000 0.914 376 L HN 0.250 nan 8.230 nan 0.000 0.439 377 V N 0.180 120.087 119.914 -0.012 0.000 2.295 377 V HA -0.280 3.845 4.120 0.008 0.000 0.246 377 V C 2.390 178.444 176.094 -0.067 0.000 1.049 377 V CA 1.558 63.841 62.300 -0.027 0.000 1.024 377 V CB -0.332 31.459 31.823 -0.054 0.000 0.648 377 V HN 0.347 nan 8.190 nan 0.000 0.447 378 L N 0.065 121.233 121.223 -0.091 0.000 2.083 378 L HA -0.165 4.179 4.340 0.008 0.000 0.209 378 L C 2.752 179.591 176.870 -0.051 0.000 1.083 378 L CA 1.542 56.329 54.840 -0.088 0.000 0.752 378 L CB -0.877 41.117 42.059 -0.109 0.000 0.899 378 L HN 0.380 nan 8.230 nan 0.000 0.433 379 A N 0.521 123.325 122.820 -0.028 0.000 1.902 379 A HA -0.142 4.183 4.320 0.008 0.000 0.217 379 A C 2.414 179.991 177.584 -0.012 0.000 1.181 379 A CA 1.771 53.801 52.037 -0.010 0.000 0.623 379 A CB -1.218 17.790 19.000 0.014 0.000 0.818 379 A HN 0.445 nan 8.150 nan 0.000 0.443 380 G N -1.026 107.768 108.800 -0.010 0.000 2.422 380 G HA2 -0.254 3.711 3.960 0.008 0.000 0.218 380 G HA3 -0.254 3.711 3.960 0.008 0.000 0.218 380 G C 1.535 176.423 174.900 -0.020 0.000 1.146 380 G CA 1.279 46.374 45.100 -0.008 0.000 0.769 380 G HN 0.528 nan 8.290 nan 0.000 0.547 381 C N 0.750 120.029 119.300 -0.034 0.000 2.422 381 C HA 0.019 4.484 4.460 0.008 0.000 0.279 381 C C 2.656 177.630 174.990 -0.026 0.000 1.305 381 C CA 0.910 59.906 59.018 -0.036 0.000 1.757 381 C CB -0.899 26.814 27.740 -0.046 0.000 1.962 381 C HN 0.664 nan 8.230 nan 0.000 0.499 382 I N -1.125 119.430 120.570 -0.025 0.000 3.968 382 I HA 0.364 4.539 4.170 0.008 0.000 0.328 382 I C 1.073 177.180 176.117 -0.017 0.000 1.290 382 I CA -0.066 61.221 61.300 -0.021 0.000 1.163 382 I CB -0.404 37.582 38.000 -0.024 0.000 1.024 382 I HN 0.069 nan 8.210 nan 0.000 0.413 383 A N 1.892 124.703 122.820 -0.014 0.000 2.313 383 A HA 0.349 4.674 4.320 0.008 0.000 0.261 383 A C 0.085 177.664 177.584 -0.008 0.000 1.090 383 A CA -0.297 51.734 52.037 -0.010 0.000 0.807 383 A CB 0.232 19.229 19.000 -0.005 0.000 1.055 383 A HN 0.313 nan 8.150 nan 0.000 0.492 384 E N 0.517 120.713 120.200 -0.006 0.000 2.223 384 E HA 0.466 4.820 4.350 0.008 0.000 0.282 384 E C 0.763 177.362 176.600 -0.001 0.000 1.046 384 E CA 1.102 57.500 56.400 -0.004 0.000 0.857 384 E CB 0.618 30.316 29.700 -0.004 0.000 1.055 384 E HN 1.362 nan 8.360 nan 0.000 0.409 385 G N 3.189 111.989 108.800 -0.000 0.000 2.482 385 G HA2 -0.196 3.768 3.960 0.008 0.000 0.214 385 G HA3 -0.196 3.768 3.960 0.008 0.000 0.214 385 G C -0.530 174.372 174.900 0.004 0.000 1.271 385 G CA -0.515 44.587 45.100 0.003 0.000 0.944 385 G HN 0.471 nan 8.290 nan 0.000 0.568 386 T N 1.132 115.691 114.554 0.008 0.000 2.823 386 T HA 0.693 5.047 4.350 0.008 0.000 0.279 386 T C -0.137 174.574 174.700 0.017 0.000 0.998 386 T CA 0.265 62.373 62.100 0.012 0.000 0.994 386 T CB 1.604 70.480 68.868 0.015 0.000 0.960 386 T HN 0.744 nan 8.240 nan 0.000 0.448 387 T N 2.556 117.122 114.554 0.021 0.000 2.829 387 T HA 0.564 4.918 4.350 0.008 0.000 0.280 387 T C -0.545 174.182 174.700 0.044 0.000 0.999 387 T CA -0.523 61.594 62.100 0.029 0.000 0.983 387 T CB 1.250 70.132 68.868 0.025 0.000 0.968 387 T HN 0.323 nan 8.240 nan 0.000 0.446 388 V N 3.834 123.777 119.914 0.048 0.000 2.378 388 V HA 0.381 4.506 4.120 0.008 0.000 0.288 388 V C -0.218 175.914 176.094 0.065 0.000 1.016 388 V CA -0.802 61.535 62.300 0.062 0.000 0.840 388 V CB 1.621 33.473 31.823 0.049 0.000 0.994 388 V HN 0.719 nan 8.190 nan 0.000 0.431 389 V N 3.929 123.898 119.914 0.091 0.000 2.364 389 V HA 0.336 4.460 4.120 0.008 0.000 0.272 389 V C 0.073 176.191 176.094 0.040 0.000 1.036 389 V CA -0.342 62.004 62.300 0.077 0.000 0.880 389 V CB 1.437 33.330 31.823 0.116 0.000 0.991 389 V HN 0.868 nan 8.190 nan 0.000 0.460 390 D N 3.636 124.052 120.400 0.026 0.000 2.348 390 D HA 0.351 4.995 4.640 0.008 0.000 0.249 390 D C 0.649 176.948 176.300 -0.001 0.000 1.110 390 D CA -0.398 53.609 54.000 0.011 0.000 0.967 390 D CB 0.602 41.419 40.800 0.027 0.000 1.139 390 D HN 0.496 nan 8.370 nan 0.000 0.466 391 R N 1.074 121.580 120.500 0.010 0.000 3.251 391 R HA -0.172 4.173 4.340 0.008 0.000 0.249 391 R C 1.010 177.259 176.300 -0.086 0.000 0.949 391 R CA 0.652 56.781 56.100 0.050 0.000 0.645 391 R CB -2.082 28.279 30.300 0.103 0.000 1.065 391 R HN 0.526 nan 8.270 nan 0.000 0.452 392 I N -2.462 118.016 120.570 -0.154 0.000 3.444 392 I HA -0.110 4.064 4.170 0.008 0.000 0.287 392 I C 1.951 177.931 176.117 -0.228 0.000 1.302 392 I CA 0.254 61.395 61.300 -0.266 0.000 1.368 392 I CB -0.424 37.197 38.000 -0.631 0.000 1.048 392 I HN 0.352 nan 8.210 nan 0.000 0.487 393 Y N 0.584 120.754 120.300 -0.217 0.000 2.315 393 Y HA -0.200 4.353 4.550 0.005 0.000 0.288 393 Y C 2.053 177.865 175.900 -0.146 0.000 1.154 393 Y CA 1.376 59.355 58.100 -0.201 0.000 1.229 393 Y CB -1.445 36.872 38.460 -0.238 0.000 0.980 393 Y HN 0.191 nan 8.280 nan 0.000 0.540 394 H N 0.315 119.023 119.070 -0.604 0.000 2.357 394 H HA -0.062 4.498 4.556 0.007 0.000 0.301 394 H C 2.115 177.390 175.328 -0.088 0.000 1.082 394 H CA 1.984 57.814 56.048 -0.362 0.000 1.342 394 H CB -0.082 29.434 29.762 -0.410 0.000 1.389 394 H HN 0.355 nan 8.280 nan 0.000 0.511 395 I N 0.654 121.261 120.570 0.061 0.000 2.179 395 I HA -0.266 3.909 4.170 0.008 0.000 0.242 395 I C 1.694 177.930 176.117 0.198 0.000 1.088 395 I CA 1.187 62.586 61.300 0.165 0.000 1.357 395 I CB -0.169 37.894 38.000 0.104 0.000 1.051 395 I HN 0.293 nan 8.210 nan 0.000 0.409 396 D N 0.898 121.364 120.400 0.110 0.000 2.182 396 D HA -0.171 4.473 4.640 0.008 0.000 0.201 396 D C 2.264 178.640 176.300 0.127 0.000 0.986 396 D CA 1.261 55.334 54.000 0.123 0.000 0.847 396 D CB -0.225 40.618 40.800 0.073 0.000 0.942 396 D HN 0.377 nan 8.370 nan 0.000 0.467 397 R N -0.438 120.131 120.500 0.115 0.000 2.240 397 R HA 0.144 4.488 4.340 0.008 0.000 0.203 397 R C 2.003 178.355 176.300 0.086 0.000 1.011 397 R CA 0.855 57.015 56.100 0.100 0.000 1.007 397 R CB 0.197 30.562 30.300 0.108 0.000 0.911 397 R HN 0.112 nan 8.270 nan 0.000 0.468 398 G N -1.064 107.803 108.800 0.111 0.000 2.848 398 G HA2 0.055 4.020 3.960 0.008 0.000 0.213 398 G HA3 0.055 4.020 3.960 0.008 0.000 0.213 398 G C -0.286 174.566 174.900 -0.080 0.000 1.101 398 G CA -0.059 45.051 45.100 0.017 0.000 0.778 398 G HN 0.050 nan 8.290 nan 0.000 0.536 399 Y N 0.092 120.426 120.300 0.056 0.000 2.425 399 Y HA 0.442 5.000 4.550 0.013 0.000 0.344 399 Y C -0.173 175.781 175.900 0.090 0.000 0.969 399 Y CA -1.329 56.815 58.100 0.075 0.000 1.052 399 Y CB 1.997 40.504 38.460 0.078 0.000 1.215 399 Y HN -0.006 nan 8.280 nan 0.000 0.451 400 E N 4.786 125.124 120.200 0.230 0.000 2.003 400 E HA 0.145 4.499 4.350 0.008 0.000 0.279 400 E C -0.339 176.370 176.600 0.183 0.000 1.132 400 E CA -0.310 56.188 56.400 0.163 0.000 0.888 400 E CB 0.153 29.918 29.700 0.107 0.000 1.056 400 E HN 0.498 nan 8.360 nan 0.000 0.399 401 R N 3.718 124.322 120.500 0.173 0.000 3.092 401 R HA -0.237 4.108 4.340 0.008 0.000 0.245 401 R C 0.841 177.237 176.300 0.160 0.000 0.881 401 R CA 0.469 56.663 56.100 0.155 0.000 0.614 401 R CB -2.153 28.211 30.300 0.106 0.000 1.128 401 R HN 0.820 nan 8.270 nan 0.000 0.483 402 I N 1.291 121.973 120.570 0.186 0.000 2.264 402 I HA -0.294 3.880 4.170 0.008 0.000 0.248 402 I C 2.483 178.625 176.117 0.041 0.000 1.111 402 I CA 2.008 63.397 61.300 0.148 0.000 1.382 402 I CB 0.101 38.076 38.000 -0.042 0.000 1.060 402 I HN 0.449 nan 8.210 nan 0.000 0.418 403 E N 0.420 120.585 120.200 -0.058 0.000 2.110 403 E HA -0.288 4.066 4.350 0.008 0.000 0.193 403 E C 1.335 177.893 176.600 -0.071 0.000 0.988 403 E CA 1.638 57.919 56.400 -0.198 0.000 0.804 403 E CB -0.640 28.867 29.700 -0.323 0.000 0.745 403 E HN 0.502 nan 8.360 nan 0.000 0.458 404 D N 1.544 121.943 120.400 -0.002 0.000 2.117 404 D HA -0.079 4.565 4.640 0.008 0.000 0.198 404 D C 1.912 178.210 176.300 -0.002 0.000 0.982 404 D CA 1.212 55.214 54.000 0.002 0.000 0.828 404 D CB -0.108 40.704 40.800 0.020 0.000 0.967 404 D HN 0.302 nan 8.370 nan 0.000 0.464 405 K N 0.156 120.572 120.400 0.028 0.000 2.103 405 K HA 0.019 4.344 4.320 0.008 0.000 0.204 405 K C 2.314 178.929 176.600 0.025 0.000 1.052 405 K CA 0.405 56.681 56.287 -0.018 0.000 0.945 405 K CB -0.032 32.446 32.500 -0.038 0.000 0.722 405 K HN 0.133 nan 8.250 nan 0.000 0.443 406 L N 0.686 121.973 121.223 0.107 0.000 2.093 406 L HA -0.138 4.206 4.340 0.008 0.000 0.208 406 L C 2.518 179.390 176.870 0.003 0.000 1.085 406 L CA 1.111 56.004 54.840 0.088 0.000 0.755 406 L CB -0.283 41.784 42.059 0.014 0.000 0.904 406 L HN 0.144 nan 8.230 nan 0.000 0.435 407 R N -0.054 120.429 120.500 -0.029 0.000 2.081 407 R HA -0.132 4.212 4.340 0.008 0.000 0.235 407 R C 2.289 178.571 176.300 -0.029 0.000 1.131 407 R CA 1.341 57.419 56.100 -0.037 0.000 0.960 407 R CB -0.469 29.806 30.300 -0.042 0.000 0.856 407 R HN 0.326 nan 8.270 nan 0.000 0.436 408 A N 0.725 123.526 122.820 -0.032 0.000 2.172 408 A HA -0.053 4.271 4.320 0.008 0.000 0.216 408 A C 1.849 179.410 177.584 -0.039 0.000 1.154 408 A CA 0.948 52.961 52.037 -0.040 0.000 0.701 408 A CB -0.207 18.759 19.000 -0.055 0.000 0.789 408 A HN 0.195 nan 8.150 nan 0.000 0.465 409 L N -2.087 119.120 121.223 -0.027 0.000 2.607 409 L HA 0.285 4.630 4.340 0.008 0.000 0.228 409 L C 1.563 178.426 176.870 -0.012 0.000 1.123 409 L CA 0.590 55.421 54.840 -0.016 0.000 0.890 409 L CB 0.258 42.326 42.059 0.015 0.000 1.103 409 L HN 0.527 nan 8.230 nan 0.000 0.468 410 G N -0.262 108.527 108.800 -0.017 0.000 2.192 410 G HA2 -0.176 3.788 3.960 0.008 0.000 0.193 410 G HA3 -0.176 3.788 3.960 0.008 0.000 0.193 410 G C 0.359 175.246 174.900 -0.022 0.000 0.999 410 G CA -0.179 44.910 45.100 -0.018 0.000 0.659 410 G HN 0.376 nan 8.290 nan 0.000 0.503 411 A N -0.041 122.763 122.820 -0.026 0.000 2.386 411 A HA 0.625 4.949 4.320 0.008 0.000 0.248 411 A C 0.325 177.880 177.584 -0.049 0.000 1.082 411 A CA 0.612 52.625 52.037 -0.041 0.000 0.789 411 A CB 0.274 19.241 19.000 -0.055 0.000 1.025 411 A HN 0.779 nan 8.150 nan 0.000 0.490 412 N N 1.075 119.745 118.700 -0.050 0.000 2.558 412 N HA 0.529 5.273 4.740 0.008 0.000 0.242 412 N C -1.137 174.335 175.510 -0.064 0.000 0.979 412 N CA -0.332 52.691 53.050 -0.046 0.000 0.931 412 N CB 0.436 38.906 38.487 -0.028 0.000 1.122 412 N HN 0.671 nan 8.380 nan 0.000 0.508 413 I N 1.581 122.097 120.570 -0.090 0.000 2.619 413 I HA 0.393 4.567 4.170 0.008 0.000 0.292 413 I C -1.482 174.585 176.117 -0.083 0.000 1.100 413 I CA -0.614 60.608 61.300 -0.130 0.000 1.043 413 I CB 1.938 39.760 38.000 -0.296 0.000 1.239 413 I HN 0.501 nan 8.210 nan 0.000 0.420 414 E N 7.691 127.887 120.200 -0.006 0.000 2.210 414 E HA 0.354 4.709 4.350 0.008 0.000 0.266 414 E C -1.224 175.500 176.600 0.206 0.000 0.883 414 E CA -0.946 55.495 56.400 0.069 0.000 0.761 414 E CB 1.779 31.514 29.700 0.058 0.000 1.156 414 E HN 0.683 nan 8.360 nan 0.000 0.412 415 R N 3.513 124.156 120.500 0.239 0.000 2.308 415 R HA 0.318 4.663 4.340 0.008 0.000 0.305 415 R C -1.302 175.081 176.300 0.138 0.000 1.053 415 R CA -0.366 55.915 56.100 0.301 0.000 0.957 415 R CB 0.951 31.415 30.300 0.273 0.000 1.022 415 R HN 0.263 nan 8.270 nan 0.000 0.461 416 V N 6.306 126.275 119.914 0.092 0.000 2.334 416 V HA 0.150 4.275 4.120 0.008 0.000 0.281 416 V C 0.344 176.447 176.094 0.015 0.000 1.016 416 V CA -0.615 61.714 62.300 0.048 0.000 0.832 416 V CB 1.364 33.215 31.823 0.046 0.000 0.999 416 V HN 0.834 nan 8.190 nan 0.000 0.439 417 K N 3.281 123.688 120.400 0.013 0.000 2.103 417 K HA 0.116 4.440 4.320 0.008 0.000 0.204 417 K C 1.390 177.987 176.600 -0.005 0.000 1.052 417 K CA 0.851 57.136 56.287 -0.002 0.000 0.945 417 K CB -0.351 32.151 32.500 0.002 0.000 0.722 417 K HN 0.793 nan 8.250 nan 0.000 0.443 418 G N 0.491 109.292 108.800 0.003 0.000 2.664 418 G HA2 0.096 4.060 3.960 0.008 0.000 0.242 418 G HA3 0.096 4.060 3.960 0.008 0.000 0.242 418 G C -0.520 174.380 174.900 0.000 0.000 1.225 418 G CA -0.321 44.780 45.100 0.001 0.000 0.849 418 G HN 0.203 nan 8.290 nan 0.000 0.581 419 E N 0.000 120.200 120.200 -0.001 0.000 2.725 419 E HA 0.000 4.355 4.350 0.008 0.000 0.291 419 E CA 0.000 56.400 56.400 0.001 0.000 0.976 419 E CB 0.000 29.698 29.700 -0.004 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440