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 3bbj_1_A DATA FIRST_RESID 5 DATA SEQUENCE TRFDSATEVV RVGENRYAVE LDPGYLIGTA XNGGYLXTVL QRSALAESDH DATA SEQUENCE LHAVSSSYHF HRPASSGPAE IETRVLKRGR TVTTVQTTLF QEGRTILTGT DATA SEQUENCE LATATLDPHA EPRYAAPQPA IPPQHQCRRV DPRQSHLPDD GFLARVDVDF DATA SEQUENCE SPDSYAALAR ERTVTTPELC GYVDLSARDG GSAKDPLAFL PLAVDALPPI DATA SEQUENCE VSLLVDWSWA PTVELTWHLR AIPEPGPLAF RSTCALVSDG WFDENVDLWD DATA SEQUENCE ARGRLVAQSR QLARVGR 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.775 174.700 0.125 0.000 1.109 5 T CA 0.000 62.151 62.100 0.084 0.000 1.349 5 T CB 0.000 68.924 68.868 0.093 0.000 0.612 6 R N -0.211 120.363 120.500 0.123 0.000 2.103 6 R HA -0.111 4.229 4.340 -0.000 0.000 0.242 6 R C 1.908 178.363 176.300 0.259 0.000 1.142 6 R CA 2.151 58.344 56.100 0.155 0.000 0.960 6 R CB -0.530 29.844 30.300 0.122 0.000 0.858 6 R HN 0.640 nan 8.270 nan 0.000 0.439 7 F N 2.021 122.068 119.950 0.161 0.000 2.095 7 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 7 F C 1.783 177.658 175.800 0.125 0.000 1.104 7 F CA 1.987 60.099 58.000 0.186 0.000 1.232 7 F CB -0.280 38.813 39.000 0.154 0.000 0.987 7 F HN 0.066 nan 8.300 nan 0.000 0.475 8 D N -0.490 120.024 120.400 0.189 0.000 2.104 8 D HA -0.211 4.429 4.640 -0.000 0.000 0.194 8 D C 2.513 178.802 176.300 -0.019 0.000 0.994 8 D CA 1.696 55.729 54.000 0.055 0.000 0.830 8 D CB -0.720 40.147 40.800 0.111 0.000 0.959 8 D HN 0.360 nan 8.370 nan 0.000 0.452 9 S N 0.013 115.732 115.700 0.032 0.000 2.357 9 S HA -0.071 4.399 4.470 -0.000 0.000 0.221 9 S C 2.060 176.673 174.600 0.020 0.000 1.031 9 S CA 1.431 59.649 58.200 0.030 0.000 0.982 9 S CB -0.195 63.038 63.200 0.055 0.000 0.853 9 S HN 0.217 nan 8.310 nan 0.000 0.458 10 A N 0.539 123.387 122.820 0.047 0.000 2.019 10 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 10 A C 2.222 179.826 177.584 0.034 0.000 1.164 10 A CA 2.115 54.208 52.037 0.095 0.000 0.644 10 A CB -1.065 18.049 19.000 0.190 0.000 0.805 10 A HN 0.785 nan 8.150 nan 0.000 0.449 11 T N -1.123 113.313 114.554 -0.195 0.000 3.092 11 T HA 0.222 4.572 4.350 -0.000 0.000 0.258 11 T C 0.370 174.933 174.700 -0.228 0.000 1.031 11 T CA 0.161 62.054 62.100 -0.346 0.000 0.925 11 T CB -0.448 67.966 68.868 -0.757 0.000 1.036 11 T HN 0.701 nan 8.240 nan 0.000 0.544 12 E N 1.821 121.948 120.200 -0.122 0.000 2.360 12 E HA 0.386 4.736 4.350 -0.000 0.000 0.269 12 E C -0.116 176.463 176.600 -0.035 0.000 1.022 12 E CA -1.006 55.357 56.400 -0.062 0.000 0.887 12 E CB 1.128 30.817 29.700 -0.019 0.000 0.990 12 E HN 0.289 nan 8.360 nan 0.000 0.426 13 V N 0.868 120.776 119.914 -0.010 0.000 2.540 13 V HA 0.601 4.721 4.120 -0.000 0.000 0.302 13 V C -0.544 175.634 176.094 0.141 0.000 1.035 13 V CA -0.956 61.371 62.300 0.045 0.000 0.873 13 V CB 1.661 33.474 31.823 -0.016 0.000 0.992 13 V HN 0.583 nan 8.190 nan 0.000 0.428 14 V N 4.895 124.907 119.914 0.164 0.000 2.459 14 V HA 0.556 4.676 4.120 -0.000 0.000 0.295 14 V C 0.334 176.500 176.094 0.120 0.000 1.029 14 V CA -0.714 61.665 62.300 0.133 0.000 0.874 14 V CB 1.648 33.505 31.823 0.057 0.000 0.985 14 V HN 1.085 nan 8.190 nan 0.000 0.438 15 R N 4.246 124.745 120.500 -0.003 0.000 2.343 15 R HA 0.211 4.551 4.340 -0.000 0.000 0.326 15 R C 0.017 176.162 176.300 -0.258 0.000 1.055 15 R CA 0.424 56.275 56.100 -0.416 0.000 0.961 15 R CB 0.329 30.428 30.300 -0.335 0.000 0.978 15 R HN 0.493 nan 8.270 nan 0.000 0.443 16 V N 3.352 123.102 119.914 -0.274 0.000 3.471 16 V HA 0.396 4.516 4.120 -0.000 0.000 0.258 16 V C 0.951 176.957 176.094 -0.147 0.000 1.192 16 V CA 1.206 63.417 62.300 -0.147 0.000 1.116 16 V CB 0.168 31.940 31.823 -0.085 0.000 0.792 16 V HN 0.949 nan 8.190 nan 0.000 0.459 17 G N 0.199 108.874 108.800 -0.208 0.000 2.430 17 G HA2 0.389 4.349 3.960 -0.000 0.000 0.300 17 G HA3 0.389 4.349 3.960 -0.000 0.000 0.300 17 G C -1.249 173.544 174.900 -0.177 0.000 1.330 17 G CA -0.476 44.533 45.100 -0.151 0.000 0.813 17 G HN 0.264 nan 8.290 nan 0.000 0.487 18 E N 0.211 120.345 120.200 -0.109 0.000 2.257 18 E HA 0.339 4.689 4.350 -0.000 0.000 0.278 18 E C 0.088 176.657 176.600 -0.052 0.000 1.049 18 E CA -0.095 56.255 56.400 -0.082 0.000 0.876 18 E CB 0.255 29.926 29.700 -0.047 0.000 1.035 18 E HN 0.439 nan 8.360 nan 0.000 0.419 19 N N 2.601 121.290 118.700 -0.018 0.000 2.741 19 N HA -0.162 4.578 4.740 -0.000 0.000 0.250 19 N C -1.136 174.432 175.510 0.097 0.000 1.115 19 N CA 0.767 53.865 53.050 0.081 0.000 0.724 19 N CB -0.701 37.823 38.487 0.061 0.000 1.090 19 N HN 0.634 nan 8.380 nan 0.000 0.558 20 R N 0.037 120.510 120.500 -0.045 0.000 2.533 20 R HA 0.464 4.804 4.340 -0.000 0.000 0.288 20 R C -1.013 175.152 176.300 -0.225 0.000 1.039 20 R CA -0.328 55.755 56.100 -0.028 0.000 0.909 20 R CB 1.138 31.398 30.300 -0.067 0.000 1.195 20 R HN 0.050 nan 8.270 nan 0.000 0.438 21 Y N -0.314 119.995 120.300 0.016 0.000 2.576 21 Y HA 0.703 5.253 4.550 -0.000 0.000 0.346 21 Y C -0.039 175.872 175.900 0.019 0.000 1.018 21 Y CA -0.892 57.216 58.100 0.014 0.000 1.050 21 Y CB 2.404 40.873 38.460 0.015 0.000 1.280 21 Y HN 0.665 nan 8.280 nan 0.000 0.474 22 A N 1.276 124.195 122.820 0.165 0.000 2.355 22 A HA 0.868 5.188 4.320 -0.000 0.000 0.324 22 A C -1.587 176.054 177.584 0.095 0.000 1.117 22 A CA -0.787 51.311 52.037 0.102 0.000 0.785 22 A CB 1.647 20.681 19.000 0.057 0.000 1.254 22 A HN 0.625 nan 8.150 nan 0.000 0.453 23 V N 1.073 121.029 119.914 0.070 0.000 3.087 23 V HA 0.550 4.670 4.120 -0.000 0.000 0.306 23 V C -1.390 174.737 176.094 0.055 0.000 1.187 23 V CA -0.595 61.731 62.300 0.044 0.000 0.999 23 V CB 2.197 34.023 31.823 0.003 0.000 1.049 23 V HN 0.940 nan 8.190 nan 0.000 0.431 24 E N 4.656 124.892 120.200 0.061 0.000 2.129 24 E HA 0.411 4.761 4.350 -0.000 0.000 0.268 24 E C -1.046 175.639 176.600 0.142 0.000 0.900 24 E CA -0.412 56.040 56.400 0.087 0.000 0.755 24 E CB 1.618 31.363 29.700 0.076 0.000 1.117 24 E HN 0.584 nan 8.360 nan 0.000 0.410 25 L N 3.202 124.525 121.223 0.166 0.000 2.361 25 L HA 0.130 4.470 4.340 -0.000 0.000 0.278 25 L C 0.588 177.586 176.870 0.213 0.000 1.113 25 L CA -0.366 54.647 54.840 0.288 0.000 0.849 25 L CB 0.290 42.505 42.059 0.260 0.000 1.155 25 L HN 0.322 nan 8.230 nan 0.000 0.452 26 D N 6.883 127.404 120.400 0.201 0.000 2.325 26 D HA 0.120 4.760 4.640 -0.000 0.000 0.251 26 D C -1.410 174.925 176.300 0.059 0.000 1.196 26 D CA -2.039 52.025 54.000 0.106 0.000 0.866 26 D CB 1.553 42.441 40.800 0.147 0.000 1.101 26 D HN 0.252 nan 8.370 nan 0.000 0.476 27 P HA -0.029 nan 4.420 nan 0.000 0.228 27 P C 1.264 178.536 177.300 -0.046 0.000 1.151 27 P CA 0.449 63.553 63.100 0.006 0.000 0.770 27 P CB 0.132 31.830 31.700 -0.003 0.000 0.786 28 G N -1.068 107.683 108.800 -0.082 0.000 2.498 28 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.219 28 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.219 28 G C 0.711 175.385 174.900 -0.376 0.000 1.119 28 G CA 0.275 45.234 45.100 -0.236 0.000 0.766 28 G HN 0.283 nan 8.290 nan 0.000 0.552 29 Y N 0.013 120.220 120.300 -0.154 0.000 2.571 29 Y HA 0.433 4.983 4.550 -0.000 0.000 0.275 29 Y C 0.999 176.921 175.900 0.037 0.000 1.179 29 Y CA -0.720 57.352 58.100 -0.047 0.000 1.242 29 Y CB 0.152 38.369 38.460 -0.405 0.000 1.126 29 Y HN -0.052 nan 8.280 nan 0.000 0.524 30 L N 1.688 122.946 121.223 0.059 0.000 2.397 30 L HA 0.168 4.508 4.340 -0.000 0.000 0.271 30 L C 0.961 177.816 176.870 -0.025 0.000 1.148 30 L CA -0.174 54.666 54.840 0.000 0.000 0.825 30 L CB 0.870 42.900 42.059 -0.048 0.000 1.117 30 L HN 0.276 nan 8.230 nan 0.000 0.456 31 I N -0.519 119.972 120.570 -0.131 0.000 3.736 31 I HA 0.584 4.753 4.170 -0.000 0.000 0.338 31 I C 0.592 176.531 176.117 -0.297 0.000 1.558 31 I CA -0.073 61.087 61.300 -0.235 0.000 1.147 31 I CB -0.031 37.700 38.000 -0.448 0.000 1.275 31 I HN 0.761 nan 8.210 nan 0.000 0.454 32 G N 2.192 110.876 108.800 -0.193 0.000 2.178 32 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.147 32 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.147 32 G C 0.513 175.353 174.900 -0.100 0.000 1.245 32 G CA 0.133 45.141 45.100 -0.154 0.000 1.275 32 G HN 0.326 nan 8.290 nan 0.000 0.491 33 T N -0.431 114.075 114.554 -0.079 0.000 3.065 33 T HA 0.677 5.027 4.350 -0.000 0.000 0.252 33 T C 1.091 175.782 174.700 -0.015 0.000 1.099 33 T CA 1.814 63.900 62.100 -0.025 0.000 1.063 33 T CB 0.199 69.072 68.868 0.008 0.000 0.948 33 T HN 1.865 nan 8.240 nan 0.000 0.506 37 G N 1.582 110.378 108.800 -0.006 0.000 2.418 37 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 37 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 37 G C 1.290 176.243 174.900 0.088 0.000 1.158 37 G CA 1.424 46.558 45.100 0.057 0.000 0.771 37 G HN 0.658 nan 8.290 nan 0.000 0.545 38 G N -0.227 108.578 108.800 0.009 0.000 2.450 38 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 38 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 38 G C 1.627 176.564 174.900 0.062 0.000 1.130 38 G CA 1.139 46.233 45.100 -0.009 0.000 0.760 38 G HN 0.458 nan 8.290 nan 0.000 0.557 39 Y N 1.065 121.381 120.300 0.027 0.000 2.200 39 Y HA 0.148 4.698 4.550 -0.000 0.000 0.290 39 Y C 1.566 177.427 175.900 -0.065 0.000 1.137 39 Y CA 0.140 58.227 58.100 -0.021 0.000 1.163 39 Y CB -0.256 38.171 38.460 -0.056 0.000 0.988 39 Y HN 0.038 nan 8.280 nan 0.000 0.518 43 V N 2.488 122.236 119.914 -0.276 0.000 2.358 43 V HA -0.000 4.119 4.120 -0.000 0.000 0.246 43 V C 2.359 178.358 176.094 -0.158 0.000 1.047 43 V CA 1.736 63.876 62.300 -0.267 0.000 1.035 43 V CB -0.558 31.041 31.823 -0.373 0.000 0.658 43 V HN 0.409 nan 8.190 nan 0.000 0.452 44 L N -0.416 120.744 121.223 -0.106 0.000 2.093 44 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 44 L C 2.608 179.487 176.870 0.015 0.000 1.085 44 L CA 1.776 56.601 54.840 -0.025 0.000 0.755 44 L CB -0.599 41.509 42.059 0.082 0.000 0.904 44 L HN 0.429 nan 8.230 nan 0.000 0.435 45 Q N 0.368 120.216 119.800 0.080 0.000 2.096 45 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 45 Q C 2.362 178.371 176.000 0.014 0.000 0.982 45 Q CA 1.599 57.467 55.803 0.109 0.000 0.850 45 Q CB 0.061 28.919 28.738 0.200 0.000 0.901 45 Q HN 0.377 nan 8.270 nan 0.000 0.422 46 R N 0.042 120.519 120.500 -0.038 0.000 2.081 46 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 46 R C 2.694 178.880 176.300 -0.190 0.000 1.131 46 R CA 1.616 57.666 56.100 -0.083 0.000 0.960 46 R CB -0.333 29.906 30.300 -0.102 0.000 0.856 46 R HN 0.427 nan 8.270 nan 0.000 0.436 47 S N 0.593 116.113 115.700 -0.300 0.000 2.382 47 S HA -0.123 4.347 4.470 -0.000 0.000 0.228 47 S C 2.210 176.599 174.600 -0.353 0.000 1.027 47 S CA 1.095 58.943 58.200 -0.588 0.000 0.991 47 S CB -0.194 62.693 63.200 -0.522 0.000 0.823 47 S HN 0.373 nan 8.310 nan 0.000 0.469 48 A N 1.910 124.631 122.820 -0.165 0.000 1.897 48 A HA 0.263 4.583 4.320 -0.000 0.000 0.215 48 A C 2.311 179.864 177.584 -0.051 0.000 1.181 48 A CA 1.189 53.177 52.037 -0.082 0.000 0.620 48 A CB -0.764 18.207 19.000 -0.048 0.000 0.821 48 A HN 0.529 nan 8.150 nan 0.000 0.443 49 L N -0.758 120.441 121.223 -0.040 0.000 2.291 49 L HA -0.085 4.255 4.340 -0.000 0.000 0.214 49 L C 2.918 179.780 176.870 -0.014 0.000 1.120 49 L CA 0.689 55.522 54.840 -0.013 0.000 0.799 49 L CB -0.439 41.626 42.059 0.010 0.000 0.925 49 L HN 0.419 nan 8.230 nan 0.000 0.446 50 A N -0.332 122.467 122.820 -0.035 0.000 1.969 50 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 50 A C 2.042 179.663 177.584 0.062 0.000 1.169 50 A CA 1.233 53.284 52.037 0.023 0.000 0.635 50 A CB -0.169 18.854 19.000 0.038 0.000 0.810 50 A HN 0.310 nan 8.150 nan 0.000 0.445 51 E N -0.062 120.161 120.200 0.038 0.000 2.479 51 E HA 0.094 4.443 4.350 -0.000 0.000 0.193 51 E C 0.152 176.762 176.600 0.017 0.000 1.049 51 E CA 0.167 56.601 56.400 0.055 0.000 0.870 51 E CB 0.165 29.904 29.700 0.064 0.000 0.944 51 E HN 0.385 nan 8.360 nan 0.000 0.492 52 S N 1.169 116.868 115.700 -0.002 0.000 2.568 52 S HA 0.189 4.659 4.470 -0.000 0.000 0.302 52 S C 0.231 174.787 174.600 -0.073 0.000 1.082 52 S CA -0.733 57.455 58.200 -0.022 0.000 1.009 52 S CB 1.247 64.453 63.200 0.010 0.000 1.069 52 S HN -0.038 nan 8.310 nan 0.000 0.500 53 D N 0.926 121.222 120.400 -0.172 0.000 2.340 53 D HA 0.079 4.719 4.640 -0.000 0.000 0.220 53 D C 0.209 176.261 176.300 -0.413 0.000 1.039 53 D CA 0.567 54.391 54.000 -0.293 0.000 0.866 53 D CB -0.254 40.333 40.800 -0.355 0.000 0.913 53 D HN 0.491 nan 8.370 nan 0.000 0.523 54 H N 0.033 119.071 119.070 -0.054 0.000 2.567 54 H HA 0.337 4.893 4.556 -0.000 0.000 0.345 54 H C 1.153 176.396 175.328 -0.141 0.000 1.169 54 H CA -0.685 55.310 56.048 -0.088 0.000 1.227 54 H CB 2.484 32.207 29.762 -0.066 0.000 1.607 54 H HN -0.137 nan 8.280 nan 0.000 0.534 55 L N 0.631 121.764 121.223 -0.150 0.000 2.270 55 L HA 0.041 4.381 4.340 -0.000 0.000 0.210 55 L C 0.085 176.721 176.870 -0.390 0.000 1.104 55 L CA 0.843 55.456 54.840 -0.377 0.000 0.804 55 L CB -0.075 41.590 42.059 -0.656 0.000 0.937 55 L HN 0.477 nan 8.230 nan 0.000 0.450 56 H N -1.414 117.693 119.070 0.062 0.000 2.690 56 H HA 0.547 5.103 4.556 -0.000 0.000 0.368 56 H C -0.384 174.943 175.328 -0.001 0.000 1.150 56 H CA -0.780 55.291 56.048 0.038 0.000 1.174 56 H CB 1.605 31.381 29.762 0.023 0.000 1.684 56 H HN -0.034 nan 8.280 nan 0.000 0.538 57 A N 2.309 125.206 122.820 0.128 0.000 2.506 57 A HA 0.304 4.624 4.320 -0.000 0.000 0.320 57 A C 0.641 178.118 177.584 -0.177 0.000 1.424 57 A CA -0.392 51.626 52.037 -0.031 0.000 1.044 57 A CB -0.359 18.641 19.000 -0.000 0.000 1.140 57 A HN 0.610 nan 8.150 nan 0.000 0.538 58 V N 1.735 121.554 119.914 -0.157 0.000 2.599 58 V HA 0.029 4.149 4.120 -0.000 0.000 0.245 58 V C 0.901 176.857 176.094 -0.231 0.000 1.046 58 V CA 1.648 63.844 62.300 -0.174 0.000 1.065 58 V CB 0.094 31.860 31.823 -0.094 0.000 0.703 58 V HN 0.707 nan 8.190 nan 0.000 0.464 59 S N -0.309 115.255 115.700 -0.227 0.000 2.614 59 S HA 0.606 5.076 4.470 -0.000 0.000 0.288 59 S C -0.639 173.738 174.600 -0.371 0.000 1.137 59 S CA -0.406 57.670 58.200 -0.206 0.000 0.992 59 S CB 2.030 65.258 63.200 0.048 0.000 1.026 59 S HN 0.270 nan 8.310 nan 0.000 0.486 60 S N 2.382 117.735 115.700 -0.579 0.000 2.605 60 S HA 0.620 5.090 4.470 -0.000 0.000 0.308 60 S C -0.515 173.802 174.600 -0.472 0.000 1.113 60 S CA -0.880 56.987 58.200 -0.555 0.000 1.049 60 S CB 1.425 64.318 63.200 -0.511 0.000 1.001 60 S HN 0.721 nan 8.310 nan 0.000 0.480 61 S N 2.566 117.981 115.700 -0.475 0.000 2.478 61 S HA 0.740 5.210 4.470 -0.000 0.000 0.312 61 S C -1.291 173.077 174.600 -0.386 0.000 1.094 61 S CA -0.711 57.318 58.200 -0.285 0.000 1.081 61 S CB 0.398 63.522 63.200 -0.126 0.000 1.007 61 S HN 0.581 nan 8.310 nan 0.000 0.475 62 Y N 1.079 121.323 120.300 -0.092 0.000 2.376 62 Y HA 0.439 4.989 4.550 -0.000 0.000 0.340 62 Y C 0.516 176.215 175.900 -0.334 0.000 0.965 62 Y CA -0.792 57.178 58.100 -0.217 0.000 1.078 62 Y CB 1.594 39.866 38.460 -0.313 0.000 1.193 62 Y HN 0.682 nan 8.280 nan 0.000 0.452 63 H N 3.776 122.701 119.070 -0.243 0.000 2.511 63 H HA 0.321 4.877 4.556 0.000 0.000 0.328 63 H C -1.399 173.561 175.328 -0.614 0.000 1.044 63 H CA -0.755 55.139 56.048 -0.256 0.000 1.212 63 H CB 1.307 30.976 29.762 -0.155 0.000 1.428 63 H HN 0.515 nan 8.280 nan 0.000 0.483 64 F N 2.865 122.670 119.950 -0.242 0.000 2.405 64 F HA 0.167 4.694 4.527 -0.000 0.000 0.355 64 F C 1.365 177.030 175.800 -0.224 0.000 1.121 64 F CA -0.443 57.404 58.000 -0.254 0.000 1.112 64 F CB 0.942 39.865 39.000 -0.128 0.000 1.126 64 F HN 0.591 nan 8.300 nan 0.000 0.481 65 H N 2.269 121.421 119.070 0.137 0.000 2.422 65 H HA 0.359 4.915 4.556 0.000 0.000 0.303 65 H C 0.384 175.764 175.328 0.087 0.000 1.033 65 H CA 0.567 56.666 56.048 0.086 0.000 1.335 65 H CB 0.457 30.231 29.762 0.020 0.000 1.458 65 H HN 0.435 nan 8.280 nan 0.000 0.556 66 R N 0.291 120.914 120.500 0.207 0.000 2.739 66 R HA 0.326 4.666 4.340 -0.000 0.000 0.271 66 R C -2.725 173.666 176.300 0.152 0.000 1.010 66 R CA -1.799 54.393 56.100 0.153 0.000 0.897 66 R CB 2.370 32.745 30.300 0.125 0.000 1.236 66 R HN 0.030 nan 8.270 nan 0.000 0.466 67 P HA 0.165 nan 4.420 nan 0.000 0.275 67 P C -1.163 176.210 177.300 0.120 0.000 1.228 67 P CA -0.209 62.976 63.100 0.142 0.000 0.786 67 P CB 1.198 32.978 31.700 0.133 0.000 0.927 68 A N 2.518 125.412 122.820 0.123 0.000 2.294 68 A HA 0.678 4.998 4.320 -0.000 0.000 0.330 68 A C 0.309 177.954 177.584 0.101 0.000 1.133 68 A CA -0.357 51.746 52.037 0.110 0.000 0.836 68 A CB 0.680 19.749 19.000 0.116 0.000 1.190 68 A HN 0.637 nan 8.150 nan 0.000 0.492 69 S N -0.062 115.694 115.700 0.093 0.000 2.751 69 S HA 0.740 5.210 4.470 -0.000 0.000 0.310 69 S C 0.307 174.962 174.600 0.091 0.000 1.128 69 S CA 0.015 58.263 58.200 0.080 0.000 0.931 69 S CB 0.810 64.048 63.200 0.063 0.000 1.177 69 S HN 1.723 nan 8.310 nan 0.000 0.530 70 S N -0.244 115.502 115.700 0.076 0.000 2.589 70 S HA 0.639 5.109 4.470 -0.000 0.000 0.265 70 S C 0.871 175.518 174.600 0.079 0.000 1.342 70 S CA 0.172 58.422 58.200 0.082 0.000 1.005 70 S CB -0.499 62.736 63.200 0.058 0.000 0.909 70 S HN 2.472 nan 8.310 nan 0.000 0.555 71 G N 0.624 109.474 108.800 0.083 0.000 2.526 71 G HA2 0.032 3.992 3.960 -0.000 0.000 0.250 71 G HA3 0.032 3.992 3.960 -0.000 0.000 0.250 71 G C -3.481 171.467 174.900 0.081 0.000 1.289 71 G CA -0.629 44.515 45.100 0.073 0.000 0.947 71 G HN 0.801 nan 8.290 nan 0.000 0.517 72 P HA 0.539 nan 4.420 nan 0.000 0.271 72 P C -0.132 177.216 177.300 0.080 0.000 1.218 72 P CA 0.850 63.992 63.100 0.070 0.000 0.780 72 P CB 1.373 33.107 31.700 0.057 0.000 0.901 73 A N 1.554 124.424 122.820 0.084 0.000 2.587 73 A HA 0.674 4.994 4.320 -0.000 0.000 0.293 73 A C -1.165 176.486 177.584 0.111 0.000 1.087 73 A CA -0.540 51.559 52.037 0.103 0.000 0.692 73 A CB 1.508 20.564 19.000 0.093 0.000 1.291 73 A HN 0.523 nan 8.150 nan 0.000 0.407 74 E N 1.261 121.555 120.200 0.157 0.000 2.238 74 E HA 0.688 5.038 4.350 -0.000 0.000 0.267 74 E C -1.434 175.320 176.600 0.257 0.000 0.887 74 E CA -0.522 55.975 56.400 0.162 0.000 0.769 74 E CB 1.799 31.556 29.700 0.095 0.000 1.187 74 E HN 0.494 nan 8.360 nan 0.000 0.416 75 I N 0.994 121.702 120.570 0.229 0.000 2.433 75 I HA 0.273 4.443 4.170 -0.000 0.000 0.292 75 I C -0.190 176.092 176.117 0.275 0.000 1.001 75 I CA -0.673 60.782 61.300 0.259 0.000 1.119 75 I CB 1.931 40.031 38.000 0.167 0.000 1.289 75 I HN 0.528 nan 8.210 nan 0.000 0.438 76 E N 4.942 125.325 120.200 0.304 0.000 2.182 76 E HA 0.361 4.711 4.350 -0.000 0.000 0.258 76 E C -0.882 175.838 176.600 0.199 0.000 0.879 76 E CA -0.521 56.023 56.400 0.240 0.000 0.754 76 E CB 1.319 31.188 29.700 0.281 0.000 1.162 76 E HN 0.691 nan 8.360 nan 0.000 0.419 77 T N 1.786 116.443 114.554 0.173 0.000 2.952 77 T HA 0.648 4.998 4.350 -0.000 0.000 0.286 77 T C -0.182 174.571 174.700 0.088 0.000 1.024 77 T CA -0.940 61.232 62.100 0.120 0.000 1.029 77 T CB 1.698 70.644 68.868 0.130 0.000 1.094 77 T HN 0.446 nan 8.240 nan 0.000 0.515 78 R N 1.128 121.661 120.500 0.056 0.000 2.523 78 R HA 0.485 4.825 4.340 -0.000 0.000 0.278 78 R C -1.873 174.439 176.300 0.020 0.000 1.150 78 R CA -0.590 55.533 56.100 0.038 0.000 0.987 78 R CB 1.769 32.089 30.300 0.034 0.000 1.232 78 R HN 0.645 nan 8.270 nan 0.000 0.424 79 V N 6.602 126.527 119.914 0.019 0.000 2.488 79 V HA 0.136 4.256 4.120 -0.000 0.000 0.277 79 V C 1.269 177.365 176.094 0.003 0.000 1.046 79 V CA -0.046 62.260 62.300 0.010 0.000 0.986 79 V CB 1.307 33.137 31.823 0.012 0.000 0.989 79 V HN 0.793 nan 8.190 nan 0.000 0.475 80 L N 2.869 124.090 121.223 -0.004 0.000 2.298 80 L HA 0.329 4.669 4.340 -0.000 0.000 0.209 80 L C 0.880 177.746 176.870 -0.006 0.000 1.084 80 L CA 0.715 55.550 54.840 -0.008 0.000 0.816 80 L CB 0.110 42.158 42.059 -0.018 0.000 0.967 80 L HN 0.501 nan 8.230 nan 0.000 0.460 81 K N 0.265 120.664 120.400 -0.002 0.000 2.570 81 K HA 0.339 4.659 4.320 -0.000 0.000 0.256 81 K C -1.668 174.941 176.600 0.016 0.000 0.939 81 K CA -0.354 55.934 56.287 0.002 0.000 0.833 81 K CB 2.555 35.052 32.500 -0.005 0.000 1.318 81 K HN -0.132 nan 8.250 nan 0.000 0.433 82 R N 1.207 121.719 120.500 0.021 0.000 2.514 82 R HA 0.771 5.111 4.340 -0.000 0.000 0.301 82 R C -0.503 175.828 176.300 0.051 0.000 0.962 82 R CA -0.519 55.603 56.100 0.038 0.000 0.882 82 R CB 1.616 31.926 30.300 0.016 0.000 1.143 82 R HN 0.761 nan 8.270 nan 0.000 0.452 83 G N 0.147 109.011 108.800 0.106 0.000 2.684 83 G HA2 0.393 4.353 3.960 -0.000 0.000 0.290 83 G HA3 0.393 4.353 3.960 -0.000 0.000 0.290 83 G C 0.089 175.099 174.900 0.184 0.000 1.425 83 G CA -0.176 44.983 45.100 0.099 0.000 0.822 83 G HN 0.631 nan 8.290 nan 0.000 0.482 84 R N -0.912 119.654 120.500 0.110 0.000 2.120 84 R HA 0.100 4.440 4.340 -0.000 0.000 0.234 84 R C 2.156 178.546 176.300 0.150 0.000 1.123 84 R CA 2.743 58.921 56.100 0.129 0.000 0.975 84 R CB -1.146 29.191 30.300 0.062 0.000 0.866 84 R HN 0.556 nan 8.270 nan 0.000 0.446 85 T N -1.666 112.890 114.554 0.004 0.000 3.071 85 T HA 0.329 4.679 4.350 -0.000 0.000 0.239 85 T C 0.010 174.444 174.700 -0.443 0.000 0.997 85 T CA 0.782 62.783 62.100 -0.166 0.000 1.134 85 T CB 0.693 69.504 68.868 -0.095 0.000 0.928 85 T HN 0.155 nan 8.240 nan 0.000 0.453 86 V N 2.290 122.055 119.914 -0.247 0.000 2.487 86 V HA 0.528 4.648 4.120 -0.000 0.000 0.298 86 V C -0.657 175.417 176.094 -0.033 0.000 1.028 86 V CA -0.687 61.480 62.300 -0.222 0.000 0.860 86 V CB 1.843 33.590 31.823 -0.126 0.000 0.991 86 V HN 0.191 nan 8.190 nan 0.000 0.427 87 T N 3.035 117.628 114.554 0.065 0.000 2.809 87 T HA 0.444 4.794 4.350 -0.000 0.000 0.284 87 T C -0.143 174.585 174.700 0.046 0.000 0.992 87 T CA -0.314 61.865 62.100 0.131 0.000 0.957 87 T CB 1.343 70.355 68.868 0.241 0.000 0.942 87 T HN 0.664 nan 8.240 nan 0.000 0.439 88 T N 3.293 117.853 114.554 0.010 0.000 2.758 88 T HA 0.563 4.913 4.350 -0.000 0.000 0.285 88 T C -0.227 174.461 174.700 -0.020 0.000 0.981 88 T CA -0.518 61.569 62.100 -0.021 0.000 0.965 88 T CB 0.895 69.742 68.868 -0.035 0.000 0.927 88 T HN 0.328 nan 8.240 nan 0.000 0.448 89 V N 3.880 123.774 119.914 -0.034 0.000 2.495 89 V HA 0.462 4.582 4.120 -0.000 0.000 0.298 89 V C -0.052 176.012 176.094 -0.050 0.000 1.031 89 V CA -0.989 61.293 62.300 -0.029 0.000 0.871 89 V CB 1.796 33.606 31.823 -0.021 0.000 0.988 89 V HN 0.817 nan 8.190 nan 0.000 0.432 90 Q N 2.211 121.992 119.800 -0.032 0.000 2.257 90 Q HA 0.607 4.947 4.340 -0.000 0.000 0.255 90 Q C -0.673 175.321 176.000 -0.010 0.000 0.920 90 Q CA -0.196 55.586 55.803 -0.035 0.000 0.927 90 Q CB 1.694 30.419 28.738 -0.021 0.000 1.229 90 Q HN 0.845 nan 8.270 nan 0.000 0.433 91 T N 2.492 117.034 114.554 -0.020 0.000 2.928 91 T HA 0.517 4.867 4.350 -0.000 0.000 0.296 91 T C -1.363 173.342 174.700 0.008 0.000 1.000 91 T CA -0.329 61.776 62.100 0.008 0.000 0.989 91 T CB 1.463 70.322 68.868 -0.015 0.000 1.005 91 T HN 0.594 nan 8.240 nan 0.000 0.442 92 T N 4.976 119.558 114.554 0.046 0.000 2.861 92 T HA 0.589 4.939 4.350 -0.000 0.000 0.287 92 T C -1.051 173.619 174.700 -0.050 0.000 1.003 92 T CA -0.620 61.453 62.100 -0.045 0.000 0.977 92 T CB 1.439 70.269 68.868 -0.064 0.000 0.996 92 T HN 0.553 nan 8.240 nan 0.000 0.448 93 L N 3.707 124.817 121.223 -0.187 0.000 2.295 93 L HA 0.736 5.076 4.340 -0.000 0.000 0.285 93 L C -1.636 175.072 176.870 -0.271 0.000 1.035 93 L CA -0.396 54.388 54.840 -0.094 0.000 0.806 93 L CB 0.068 42.087 42.059 -0.067 0.000 1.214 93 L HN 0.533 nan 8.230 nan 0.000 0.426 94 F N 3.391 123.368 119.950 0.046 0.000 2.522 94 F HA 0.671 5.198 4.527 -0.000 0.000 0.324 94 F C -0.046 175.784 175.800 0.049 0.000 1.077 94 F CA -0.483 57.547 58.000 0.050 0.000 0.944 94 F CB 1.788 40.813 39.000 0.043 0.000 1.175 94 F HN 0.432 nan 8.300 nan 0.000 0.468 95 Q N 1.748 121.688 119.800 0.232 0.000 2.313 95 Q HA 0.216 4.556 4.340 -0.000 0.000 0.255 95 Q C -1.168 174.912 176.000 0.135 0.000 0.944 95 Q CA -0.471 55.425 55.803 0.156 0.000 0.881 95 Q CB 1.532 30.340 28.738 0.116 0.000 1.375 95 Q HN 0.821 nan 8.270 nan 0.000 0.422 96 E N 1.989 122.256 120.200 0.111 0.000 2.320 96 E HA -0.280 4.070 4.350 -0.000 0.000 0.234 96 E C 0.365 177.024 176.600 0.097 0.000 1.183 96 E CA 0.661 57.114 56.400 0.088 0.000 0.713 96 E CB -1.509 28.236 29.700 0.075 0.000 1.226 96 E HN 1.153 nan 8.360 nan 0.000 0.382 97 G N 0.227 109.097 108.800 0.117 0.000 2.166 97 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.260 97 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.260 97 G C 0.176 175.182 174.900 0.176 0.000 0.986 97 G CA 0.988 46.161 45.100 0.122 0.000 0.683 97 G HN 0.339 nan 8.290 nan 0.000 0.527 98 R N 0.012 120.635 120.500 0.204 0.000 2.686 98 R HA 0.567 4.907 4.340 -0.000 0.000 0.286 98 R C 0.300 176.681 176.300 0.135 0.000 0.969 98 R CA -0.134 56.065 56.100 0.165 0.000 0.898 98 R CB 1.331 31.691 30.300 0.101 0.000 1.183 98 R HN 0.288 nan 8.270 nan 0.000 0.456 99 T N 0.333 114.893 114.554 0.010 0.000 2.851 99 T HA 0.187 4.537 4.350 -0.000 0.000 0.298 99 T C 1.251 175.922 174.700 -0.049 0.000 0.977 99 T CA -0.591 61.358 62.100 -0.253 0.000 1.126 99 T CB 0.564 69.240 68.868 -0.321 0.000 0.916 99 T HN 0.308 nan 8.240 nan 0.000 0.529 100 I N 1.645 122.163 120.570 -0.087 0.000 2.512 100 I HA 0.355 4.525 4.170 -0.000 0.000 0.247 100 I C 0.468 176.568 176.117 -0.028 0.000 1.094 100 I CA 0.533 61.839 61.300 0.009 0.000 1.427 100 I CB -0.639 37.362 38.000 0.002 0.000 1.149 100 I HN 0.564 nan 8.210 nan 0.000 0.438 101 L N -0.882 120.250 121.223 -0.152 0.000 2.545 101 L HA 0.491 4.831 4.340 -0.000 0.000 0.258 101 L C -0.799 175.913 176.870 -0.264 0.000 0.942 101 L CA 0.008 54.636 54.840 -0.353 0.000 0.855 101 L CB 2.080 43.906 42.059 -0.389 0.000 1.374 101 L HN -0.032 nan 8.230 nan 0.000 0.411 102 T N 2.388 116.777 114.554 -0.276 0.000 2.861 102 T HA 0.879 5.229 4.350 -0.000 0.000 0.287 102 T C -0.558 174.090 174.700 -0.086 0.000 1.003 102 T CA 0.055 62.088 62.100 -0.111 0.000 0.977 102 T CB 1.230 70.092 68.868 -0.010 0.000 0.996 102 T HN 0.998 nan 8.240 nan 0.000 0.448 103 G N 1.946 110.694 108.800 -0.085 0.000 2.524 103 G HA2 0.627 4.587 3.960 -0.000 0.000 0.310 103 G HA3 0.627 4.587 3.960 -0.000 0.000 0.310 103 G C -1.029 173.703 174.900 -0.279 0.000 1.279 103 G CA -0.550 44.354 45.100 -0.327 0.000 0.974 103 G HN 0.751 nan 8.290 nan 0.000 0.484 104 T N 1.058 115.406 114.554 -0.342 0.000 2.848 104 T HA 0.569 4.919 4.350 -0.000 0.000 0.285 104 T C -0.866 173.663 174.700 -0.284 0.000 0.995 104 T CA -0.282 61.682 62.100 -0.226 0.000 0.970 104 T CB 1.413 70.194 68.868 -0.145 0.000 0.976 104 T HN 0.250 nan 8.240 nan 0.000 0.441 105 L N 2.540 123.637 121.223 -0.210 0.000 2.376 105 L HA 0.705 5.045 4.340 -0.000 0.000 0.275 105 L C 0.174 176.964 176.870 -0.134 0.000 0.987 105 L CA -0.761 53.956 54.840 -0.206 0.000 0.828 105 L CB 1.619 43.576 42.059 -0.170 0.000 1.249 105 L HN 0.794 nan 8.230 nan 0.000 0.409 106 A N 1.724 124.460 122.820 -0.139 0.000 2.310 106 A HA 0.601 4.921 4.320 -0.000 0.000 0.300 106 A C 0.368 177.895 177.584 -0.095 0.000 1.269 106 A CA -0.195 51.780 52.037 -0.102 0.000 0.909 106 A CB -0.178 18.762 19.000 -0.100 0.000 1.144 106 A HN 0.687 nan 8.150 nan 0.000 0.540 107 T N 0.125 114.645 114.554 -0.056 0.000 2.859 107 T HA 0.824 5.174 4.350 -0.000 0.000 0.281 107 T C -0.165 174.481 174.700 -0.090 0.000 1.005 107 T CA 0.089 62.175 62.100 -0.024 0.000 1.025 107 T CB 1.603 70.496 68.868 0.041 0.000 0.977 107 T HN 1.770 nan 8.240 nan 0.000 0.458 108 A N 1.961 124.724 122.820 -0.095 0.000 2.529 108 A HA 0.798 5.118 4.320 -0.000 0.000 0.296 108 A C -0.534 177.026 177.584 -0.040 0.000 1.205 108 A CA -1.029 50.848 52.037 -0.266 0.000 0.671 108 A CB 1.105 19.973 19.000 -0.219 0.000 1.301 108 A HN 0.821 nan 8.150 nan 0.000 0.450 109 T N 1.754 116.300 114.554 -0.014 0.000 2.864 109 T HA 0.525 4.875 4.350 -0.000 0.000 0.310 109 T C -0.314 174.502 174.700 0.193 0.000 1.040 109 T CA -0.119 62.044 62.100 0.106 0.000 0.977 109 T CB 0.036 68.947 68.868 0.071 0.000 0.976 109 T HN 0.447 nan 8.240 nan 0.000 0.459 110 L N 2.338 123.787 121.223 0.377 0.000 2.439 110 L HA 0.415 4.755 4.340 -0.000 0.000 0.261 110 L C 0.663 177.594 176.870 0.101 0.000 1.153 110 L CA -0.857 54.059 54.840 0.126 0.000 0.808 110 L CB 0.537 42.578 42.059 -0.030 0.000 1.126 110 L HN 0.517 nan 8.230 nan 0.000 0.460 111 D N 2.815 123.237 120.400 0.037 0.000 2.316 111 D HA 0.135 4.775 4.640 -0.000 0.000 0.245 111 D C -1.562 174.702 176.300 -0.060 0.000 1.171 111 D CA -2.011 52.005 54.000 0.026 0.000 0.856 111 D CB 1.345 42.173 40.800 0.046 0.000 1.090 111 D HN 0.185 nan 8.370 nan 0.000 0.476 112 P HA -0.081 nan 4.420 nan 0.000 0.230 112 P C 0.074 177.088 177.300 -0.476 0.000 1.158 112 P CA 1.024 63.905 63.100 -0.365 0.000 0.769 112 P CB 0.100 31.504 31.700 -0.494 0.000 0.807 113 H N -1.164 117.924 119.070 0.029 0.000 2.755 113 H HA 0.461 5.017 4.556 -0.000 0.000 0.273 113 H C 0.760 176.101 175.328 0.022 0.000 1.055 113 H CA -0.327 55.736 56.048 0.026 0.000 1.191 113 H CB -0.007 29.772 29.762 0.028 0.000 1.536 113 H HN 0.055 nan 8.280 nan 0.000 0.529 114 A N 1.786 124.649 122.820 0.072 0.000 2.567 114 A HA -0.019 4.301 4.320 -0.000 0.000 0.240 114 A C 0.195 177.805 177.584 0.044 0.000 1.053 114 A CA 0.122 52.190 52.037 0.051 0.000 0.755 114 A CB 0.145 19.159 19.000 0.023 0.000 0.978 114 A HN 0.296 nan 8.150 nan 0.000 0.507 115 E N 2.912 123.139 120.200 0.045 0.000 2.156 115 E HA 0.384 4.734 4.350 -0.000 0.000 0.279 115 E C -2.232 174.386 176.600 0.030 0.000 0.965 115 E CA -1.592 54.831 56.400 0.038 0.000 0.789 115 E CB 0.560 30.284 29.700 0.039 0.000 1.098 115 E HN 0.489 nan 8.360 nan 0.000 0.397 116 P HA 0.079 nan 4.420 nan 0.000 0.267 116 P C 0.753 178.075 177.300 0.037 0.000 1.200 116 P CA 0.051 63.164 63.100 0.021 0.000 0.772 116 P CB 0.612 32.310 31.700 -0.004 0.000 0.855 117 R N 1.021 121.558 120.500 0.062 0.000 2.127 117 R HA 0.039 4.379 4.340 -0.000 0.000 0.217 117 R C 0.419 176.811 176.300 0.154 0.000 1.074 117 R CA 1.303 57.455 56.100 0.087 0.000 0.991 117 R CB -0.959 29.390 30.300 0.081 0.000 0.895 117 R HN 0.701 nan 8.270 nan 0.000 0.450 118 Y N -1.733 118.577 120.300 0.017 0.000 2.513 118 Y HA 0.571 5.121 4.550 -0.000 0.000 0.340 118 Y C -1.612 174.305 175.900 0.030 0.000 1.055 118 Y CA -1.257 56.856 58.100 0.022 0.000 1.020 118 Y CB 1.902 40.372 38.460 0.017 0.000 1.301 118 Y HN 0.279 nan 8.280 nan 0.000 0.453 119 A N 4.185 126.403 122.820 -1.003 0.000 2.466 119 A HA 0.789 5.109 4.320 -0.000 0.000 0.284 119 A C -1.091 176.024 177.584 -0.782 0.000 1.049 119 A CA -0.212 51.416 52.037 -0.681 0.000 0.760 119 A CB 0.370 19.225 19.000 -0.241 0.000 1.274 119 A HN 1.457 nan 8.150 nan 0.000 0.412 120 A N 4.109 126.590 122.820 -0.565 0.000 2.483 120 A HA 0.617 4.937 4.320 -0.000 0.000 0.238 120 A C -1.557 175.998 177.584 -0.048 0.000 1.070 120 A CA -0.662 51.276 52.037 -0.167 0.000 0.770 120 A CB -0.541 18.507 19.000 0.080 0.000 1.008 120 A HN 0.691 nan 8.150 nan 0.000 0.497 121 P HA 0.071 nan 4.420 nan 0.000 0.272 121 P C -0.500 176.800 177.300 -0.000 0.000 1.223 121 P CA -0.354 62.737 63.100 -0.014 0.000 0.784 121 P CB 0.465 32.147 31.700 -0.030 0.000 0.923 122 Q N 2.658 122.400 119.800 -0.096 0.000 2.337 122 Q HA 0.134 4.474 4.340 -0.000 0.000 0.270 122 Q C -1.791 173.972 176.000 -0.395 0.000 1.002 122 Q CA -1.414 54.129 55.803 -0.435 0.000 0.888 122 Q CB 0.176 28.442 28.738 -0.788 0.000 1.222 122 Q HN 0.330 nan 8.270 nan 0.000 0.400 123 P HA 0.050 nan 4.420 nan 0.000 0.269 123 P C -1.304 175.802 177.300 -0.323 0.000 1.215 123 P CA -0.161 62.761 63.100 -0.295 0.000 0.780 123 P CB 0.504 32.062 31.700 -0.237 0.000 0.898 124 A N 3.563 126.262 122.820 -0.201 0.000 2.515 124 A HA 0.298 4.618 4.320 -0.000 0.000 0.263 124 A C 0.383 177.852 177.584 -0.191 0.000 1.096 124 A CA 0.043 51.977 52.037 -0.171 0.000 0.769 124 A CB -0.955 17.981 19.000 -0.106 0.000 1.040 124 A HN 0.463 nan 8.150 nan 0.000 0.505 125 I N 4.244 124.687 120.570 -0.212 0.000 2.465 125 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 125 I C -2.167 173.895 176.117 -0.092 0.000 1.014 125 I CA -2.148 59.028 61.300 -0.207 0.000 1.093 125 I CB 2.032 39.810 38.000 -0.369 0.000 1.267 125 I HN 0.446 nan 8.210 nan 0.000 0.431 126 P HA 0.164 nan 4.420 nan 0.000 0.268 126 P C -2.501 174.819 177.300 0.033 0.000 1.208 126 P CA -0.790 62.291 63.100 -0.032 0.000 0.777 126 P CB -0.335 31.341 31.700 -0.040 0.000 0.875 127 P HA -0.036 nan 4.420 nan 0.000 0.268 127 P C 0.915 178.004 177.300 -0.352 0.000 1.208 127 P CA 0.051 63.024 63.100 -0.212 0.000 0.777 127 P CB 0.396 31.858 31.700 -0.396 0.000 0.875 128 Q N 1.809 121.213 119.800 -0.660 0.000 2.152 128 Q HA -0.272 4.068 4.340 -0.000 0.000 0.206 128 Q C 1.871 177.699 176.000 -0.286 0.000 0.985 128 Q CA 1.582 56.939 55.803 -0.744 0.000 0.863 128 Q CB -0.270 27.912 28.738 -0.928 0.000 0.904 128 Q HN 0.632 nan 8.270 nan 0.000 0.422 129 H N -1.311 117.651 119.070 -0.181 0.000 2.457 129 H HA -0.056 4.500 4.556 -0.000 0.000 0.294 129 H C 1.155 176.449 175.328 -0.057 0.000 1.064 129 H CA 1.134 57.122 56.048 -0.100 0.000 1.330 129 H CB -0.005 29.706 29.762 -0.085 0.000 1.395 129 H HN 0.406 nan 8.280 nan 0.000 0.541 130 Q N 0.487 120.036 119.800 -0.418 0.000 2.451 130 Q HA 0.125 4.465 4.340 -0.000 0.000 0.206 130 Q C 0.508 176.464 176.000 -0.075 0.000 0.947 130 Q CA -0.078 55.607 55.803 -0.197 0.000 0.937 130 Q CB 0.519 29.103 28.738 -0.256 0.000 1.025 130 Q HN 0.361 nan 8.270 nan 0.000 0.511 131 C N 0.674 119.945 119.300 -0.047 0.000 2.422 131 C HA 0.452 4.912 4.460 -0.000 0.000 0.364 131 C C 0.507 175.538 174.990 0.068 0.000 1.251 131 C CA -0.683 58.366 59.018 0.051 0.000 2.441 131 C CB 0.551 28.361 27.740 0.118 0.000 2.393 131 C HN 0.349 nan 8.230 nan 0.000 0.606 132 R N 0.873 121.464 120.500 0.151 0.000 2.534 132 R HA 0.533 4.873 4.340 -0.000 0.000 0.301 132 R C -0.596 175.905 176.300 0.334 0.000 0.961 132 R CA -0.426 55.769 56.100 0.158 0.000 0.871 132 R CB 0.858 31.162 30.300 0.007 0.000 1.170 132 R HN 0.839 nan 8.270 nan 0.000 0.446 133 R N 3.103 123.749 120.500 0.245 0.000 2.604 133 R HA 0.453 4.793 4.340 -0.000 0.000 0.287 133 R C -1.286 175.197 176.300 0.306 0.000 0.970 133 R CA -0.626 55.631 56.100 0.261 0.000 0.946 133 R CB 1.746 32.118 30.300 0.121 0.000 1.127 133 R HN 0.356 nan 8.270 nan 0.000 0.473 134 V N 2.420 122.528 119.914 0.323 0.000 2.328 134 V HA 0.226 4.346 4.120 -0.000 0.000 0.278 134 V C 0.088 176.269 176.094 0.145 0.000 1.021 134 V CA -0.318 62.133 62.300 0.251 0.000 0.838 134 V CB 0.839 32.794 31.823 0.220 0.000 0.999 134 V HN 0.990 nan 8.190 nan 0.000 0.447 135 D N 6.600 127.064 120.400 0.106 0.000 2.412 135 D HA 0.366 5.006 4.640 -0.000 0.000 0.257 135 D C -2.128 174.198 176.300 0.044 0.000 1.217 135 D CA -0.877 53.158 54.000 0.059 0.000 0.897 135 D CB 0.189 41.016 40.800 0.044 0.000 1.132 135 D HN 0.529 nan 8.370 nan 0.000 0.493 136 P HA 0.268 nan 4.420 nan 0.000 0.267 136 P C 0.002 177.305 177.300 0.004 0.000 1.205 136 P CA -0.222 62.884 63.100 0.010 0.000 0.765 136 P CB 0.716 32.404 31.700 -0.019 0.000 0.828 137 R N 1.319 121.824 120.500 0.009 0.000 2.583 137 R HA 0.252 4.592 4.340 -0.000 0.000 0.268 137 R C 0.614 176.914 176.300 0.000 0.000 1.101 137 R CA -0.752 55.352 56.100 0.007 0.000 1.180 137 R CB 0.404 30.711 30.300 0.012 0.000 1.128 137 R HN 0.530 nan 8.270 nan 0.000 0.568 138 Q N 0.854 120.655 119.800 0.002 0.000 2.392 138 Q HA 0.118 4.458 4.340 -0.000 0.000 0.262 138 Q C -0.850 175.160 176.000 0.017 0.000 1.003 138 Q CA 0.287 56.091 55.803 0.001 0.000 0.888 138 Q CB 1.074 29.814 28.738 0.003 0.000 1.260 138 Q HN 0.486 nan 8.270 nan 0.000 0.435 139 S N 0.370 116.080 115.700 0.017 0.000 2.588 139 S HA 0.221 4.691 4.470 -0.000 0.000 0.275 139 S C 0.389 175.027 174.600 0.063 0.000 1.130 139 S CA -0.677 57.557 58.200 0.057 0.000 0.855 139 S CB 0.861 64.061 63.200 -0.001 0.000 1.116 139 S HN 0.872 nan 8.310 nan 0.000 0.472 140 H N 3.043 122.098 119.070 -0.026 0.000 2.524 140 H HA 0.241 4.797 4.556 -0.000 0.000 0.282 140 H C 0.504 175.817 175.328 -0.026 0.000 1.016 140 H CA 0.103 56.137 56.048 -0.023 0.000 1.270 140 H CB -0.644 29.106 29.762 -0.020 0.000 1.394 140 H HN 0.406 nan 8.280 nan 0.000 0.568 141 L N 2.595 123.461 121.223 -0.595 0.000 2.485 141 L HA 0.101 4.441 4.340 -0.000 0.000 0.275 141 L C -1.972 174.771 176.870 -0.212 0.000 1.207 141 L CA -1.678 52.891 54.840 -0.452 0.000 0.855 141 L CB 0.076 41.921 42.059 -0.357 0.000 1.114 141 L HN 0.034 nan 8.230 nan 0.000 0.485 142 P HA -0.040 nan 4.420 nan 0.000 0.260 142 P C -0.659 176.573 177.300 -0.113 0.000 1.185 142 P CA 0.259 63.297 63.100 -0.103 0.000 0.763 142 P CB 0.205 31.858 31.700 -0.079 0.000 0.776 143 D N 2.799 123.145 120.400 -0.090 0.000 2.708 143 D HA -0.193 4.447 4.640 -0.000 0.000 0.236 143 D C -0.125 176.104 176.300 -0.118 0.000 1.146 143 D CA 1.125 55.068 54.000 -0.095 0.000 0.662 143 D CB -1.507 39.232 40.800 -0.101 0.000 1.059 143 D HN 0.525 nan 8.370 nan 0.000 0.428 144 D N -2.293 118.044 120.400 -0.106 0.000 3.041 144 D HA -0.148 4.491 4.640 -0.000 0.000 0.220 144 D C 1.210 177.433 176.300 -0.128 0.000 1.157 144 D CA 1.962 55.901 54.000 -0.102 0.000 0.876 144 D CB -1.406 39.347 40.800 -0.079 0.000 1.107 144 D HN 0.932 nan 8.370 nan 0.000 0.422 145 G N 0.046 108.752 108.800 -0.157 0.000 2.668 145 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.266 145 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.266 145 G C 0.719 175.527 174.900 -0.153 0.000 1.328 145 G CA 0.282 45.294 45.100 -0.147 0.000 0.911 145 G HN 0.308 nan 8.290 nan 0.000 0.567 146 F N 0.322 120.157 119.950 -0.192 0.000 2.087 146 F HA -0.106 4.421 4.527 0.000 0.000 0.299 146 F C 2.735 178.456 175.800 -0.131 0.000 1.100 146 F CA 2.643 60.542 58.000 -0.169 0.000 1.226 146 F CB -0.355 38.592 39.000 -0.088 0.000 0.983 146 F HN 0.285 nan 8.300 nan 0.000 0.479 147 L N -0.351 120.811 121.223 -0.102 0.000 2.261 147 L HA -0.209 4.130 4.340 -0.000 0.000 0.216 147 L C 2.344 179.081 176.870 -0.223 0.000 1.114 147 L CA 1.010 55.775 54.840 -0.124 0.000 0.777 147 L CB -0.865 41.197 42.059 0.005 0.000 0.910 147 L HN 0.295 nan 8.230 nan 0.000 0.440 148 A N -1.167 121.498 122.820 -0.258 0.000 2.275 148 A HA 0.054 4.374 4.320 -0.000 0.000 0.212 148 A C 1.972 179.373 177.584 -0.305 0.000 1.201 148 A CA 0.042 51.942 52.037 -0.229 0.000 0.843 148 A CB -0.102 18.791 19.000 -0.178 0.000 0.873 148 A HN 0.180 nan 8.150 nan 0.000 0.492 149 R N -0.296 119.917 120.500 -0.478 0.000 2.254 149 R HA 0.113 4.453 4.340 -0.000 0.000 0.195 149 R C 0.230 176.340 176.300 -0.318 0.000 0.957 149 R CA 0.999 56.808 56.100 -0.485 0.000 1.024 149 R CB -0.416 29.405 30.300 -0.798 0.000 0.952 149 R HN 0.481 nan 8.270 nan 0.000 0.484 150 V N -1.276 118.434 119.914 -0.339 0.000 2.925 150 V HA 0.496 4.616 4.120 -0.000 0.000 0.311 150 V C -1.143 174.866 176.094 -0.142 0.000 1.104 150 V CA -1.397 60.788 62.300 -0.193 0.000 0.954 150 V CB 2.969 34.707 31.823 -0.141 0.000 1.022 150 V HN -0.207 nan 8.190 nan 0.000 0.427 151 D N 2.201 122.546 120.400 -0.091 0.000 2.233 151 D HA 0.662 5.302 4.640 -0.000 0.000 0.240 151 D C -0.654 175.614 176.300 -0.052 0.000 1.074 151 D CA -0.022 53.941 54.000 -0.063 0.000 0.838 151 D CB 2.030 42.800 40.800 -0.050 0.000 1.124 151 D HN 0.538 nan 8.370 nan 0.000 0.475 152 V N 3.420 123.277 119.914 -0.095 0.000 2.443 152 V HA 0.233 4.353 4.120 -0.000 0.000 0.293 152 V C -0.407 175.476 176.094 -0.353 0.000 1.021 152 V CA -0.884 61.280 62.300 -0.226 0.000 0.848 152 V CB 1.943 33.549 31.823 -0.362 0.000 0.998 152 V HN 0.374 nan 8.190 nan 0.000 0.424 153 D N 4.567 124.866 120.400 -0.169 0.000 2.233 153 D HA 0.507 5.147 4.640 -0.000 0.000 0.240 153 D C -0.789 175.459 176.300 -0.087 0.000 1.074 153 D CA -0.000 53.964 54.000 -0.060 0.000 0.838 153 D CB 2.076 42.938 40.800 0.104 0.000 1.124 153 D HN 0.256 nan 8.370 nan 0.000 0.475 154 F N 0.691 120.806 119.950 0.276 0.000 2.450 154 F HA 0.179 4.706 4.527 -0.000 0.000 0.332 154 F C 1.400 177.288 175.800 0.148 0.000 1.093 154 F CA -0.972 57.172 58.000 0.240 0.000 1.003 154 F CB 1.175 40.339 39.000 0.273 0.000 1.151 154 F HN 0.125 nan 8.300 nan 0.000 0.474 155 S N 1.847 117.691 115.700 0.240 0.000 2.569 155 S HA 0.099 4.569 4.470 -0.000 0.000 0.274 155 S C -2.011 172.696 174.600 0.180 0.000 1.353 155 S CA -0.847 57.434 58.200 0.135 0.000 1.023 155 S CB 0.670 63.895 63.200 0.040 0.000 0.876 155 S HN 0.418 nan 8.310 nan 0.000 0.540 156 P HA -0.104 nan 4.420 nan 0.000 0.216 156 P C 0.792 178.159 177.300 0.113 0.000 1.153 156 P CA 1.335 64.487 63.100 0.087 0.000 0.858 156 P CB -0.060 31.655 31.700 0.024 0.000 0.789 157 D N -1.285 119.163 120.400 0.080 0.000 2.144 157 D HA -0.083 4.557 4.640 -0.000 0.000 0.199 157 D C 2.020 178.370 176.300 0.083 0.000 0.984 157 D CA 1.158 55.198 54.000 0.067 0.000 0.834 157 D CB -0.607 40.216 40.800 0.039 0.000 0.955 157 D HN 0.105 nan 8.370 nan 0.000 0.465 158 S N -0.229 115.540 115.700 0.116 0.000 2.368 158 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 158 S C 1.812 176.420 174.600 0.014 0.000 1.029 158 S CA 0.435 58.699 58.200 0.107 0.000 0.988 158 S CB -0.340 63.005 63.200 0.241 0.000 0.838 158 S HN 0.320 nan 8.310 nan 0.000 0.462 159 Y N 2.616 122.899 120.300 -0.029 0.000 2.097 159 Y HA -0.178 4.372 4.550 -0.000 0.000 0.282 159 Y C 2.490 178.335 175.900 -0.092 0.000 1.152 159 Y CA 1.080 59.114 58.100 -0.109 0.000 1.136 159 Y CB -0.917 37.555 38.460 0.020 0.000 0.975 159 Y HN 0.209 nan 8.280 nan 0.000 0.498 160 A N 0.416 123.387 122.820 0.252 0.000 1.917 160 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 160 A C 2.429 180.026 177.584 0.022 0.000 1.182 160 A CA 2.276 54.404 52.037 0.150 0.000 0.633 160 A CB -1.555 17.507 19.000 0.102 0.000 0.819 160 A HN 0.632 nan 8.150 nan 0.000 0.448 161 A N -0.404 122.408 122.820 -0.014 0.000 1.855 161 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 161 A C 2.179 179.695 177.584 -0.114 0.000 1.191 161 A CA 1.486 53.494 52.037 -0.049 0.000 0.613 161 A CB -0.623 18.358 19.000 -0.031 0.000 0.829 161 A HN 0.468 nan 8.150 nan 0.000 0.442 162 L N -0.826 120.268 121.223 -0.214 0.000 2.083 162 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 162 L C 2.728 179.433 176.870 -0.276 0.000 1.083 162 L CA 1.011 55.675 54.840 -0.293 0.000 0.752 162 L CB -0.349 41.403 42.059 -0.512 0.000 0.899 162 L HN 0.418 nan 8.230 nan 0.000 0.433 163 A N -1.018 121.620 122.820 -0.303 0.000 2.238 163 A HA 0.002 4.322 4.320 -0.000 0.000 0.208 163 A C 0.953 178.486 177.584 -0.084 0.000 1.177 163 A CA -0.114 51.798 52.037 -0.208 0.000 0.804 163 A CB -0.171 18.720 19.000 -0.181 0.000 0.823 163 A HN 0.401 nan 8.150 nan 0.000 0.482 164 R N -0.824 119.631 120.500 -0.075 0.000 3.953 164 R HA -0.202 4.138 4.340 -0.000 0.000 0.340 164 R C 0.370 176.662 176.300 -0.013 0.000 1.195 164 R CA 1.462 57.537 56.100 -0.042 0.000 0.929 164 R CB -2.660 27.613 30.300 -0.044 0.000 1.402 164 R HN 0.984 nan 8.270 nan 0.000 0.540 165 E N -0.051 120.154 120.200 0.008 0.000 2.368 165 E HA 0.316 4.666 4.350 -0.000 0.000 0.188 165 E C 0.505 177.119 176.600 0.023 0.000 1.061 165 E CA 0.486 56.901 56.400 0.026 0.000 0.933 165 E CB 0.142 29.876 29.700 0.057 0.000 1.091 165 E HN 0.532 nan 8.360 nan 0.000 0.458 166 R N -0.226 120.281 120.500 0.013 0.000 2.709 166 R HA 0.557 4.897 4.340 -0.000 0.000 0.270 166 R C -0.300 176.002 176.300 0.004 0.000 1.038 166 R CA -0.178 55.929 56.100 0.012 0.000 0.872 166 R CB -0.464 29.848 30.300 0.020 0.000 1.259 166 R HN 0.252 nan 8.270 nan 0.000 0.473 167 T N 0.132 114.689 114.554 0.004 0.000 2.870 167 T HA 0.649 4.999 4.350 -0.000 0.000 0.300 167 T C 0.836 175.537 174.700 0.002 0.000 0.989 167 T CA 0.450 62.551 62.100 0.002 0.000 1.139 167 T CB 0.186 69.056 68.868 0.003 0.000 0.920 167 T HN 2.094 nan 8.240 nan 0.000 0.537 168 V N 3.885 123.798 119.914 -0.001 0.000 2.184 168 V HA 0.418 4.538 4.120 -0.000 0.000 0.262 168 V C 1.337 177.434 176.094 0.005 0.000 1.209 168 V CA -0.206 62.094 62.300 0.000 0.000 1.070 168 V CB -0.545 31.273 31.823 -0.007 0.000 1.244 168 V HN 0.985 nan 8.190 nan 0.000 0.477 169 T N 1.677 116.236 114.554 0.009 0.000 2.732 169 T HA 0.036 4.386 4.350 -0.000 0.000 0.261 169 T C 1.040 175.749 174.700 0.015 0.000 1.040 169 T CA 1.859 63.966 62.100 0.011 0.000 1.145 169 T CB -0.113 68.762 68.868 0.012 0.000 0.866 169 T HN 0.935 nan 8.240 nan 0.000 0.427 170 T N 0.936 115.501 114.554 0.018 0.000 2.861 170 T HA 0.537 4.887 4.350 -0.000 0.000 0.287 170 T C -3.203 171.513 174.700 0.028 0.000 1.003 170 T CA -2.087 60.028 62.100 0.025 0.000 0.977 170 T CB 2.058 70.942 68.868 0.028 0.000 0.996 170 T HN -0.078 nan 8.240 nan 0.000 0.448 171 P HA 0.389 nan 4.420 nan 0.000 0.275 171 P C -0.762 176.571 177.300 0.055 0.000 1.276 171 P CA 0.108 63.229 63.100 0.035 0.000 0.782 171 P CB 0.458 32.177 31.700 0.032 0.000 0.851 172 E N 3.376 123.612 120.200 0.061 0.000 2.343 172 E HA 0.448 4.798 4.350 -0.000 0.000 0.286 172 E C -1.687 174.978 176.600 0.109 0.000 0.915 172 E CA -0.620 55.830 56.400 0.084 0.000 0.784 172 E CB 1.308 31.045 29.700 0.063 0.000 1.251 172 E HN 0.308 nan 8.360 nan 0.000 0.407 173 L N 3.663 124.991 121.223 0.175 0.000 2.354 173 L HA 0.786 5.126 4.340 -0.000 0.000 0.269 173 L C -0.529 176.494 176.870 0.253 0.000 1.005 173 L CA -0.881 54.122 54.840 0.272 0.000 0.819 173 L CB 1.810 44.114 42.059 0.409 0.000 1.311 173 L HN 0.851 nan 8.230 nan 0.000 0.423 174 C N -0.003 119.335 119.300 0.064 0.000 3.318 174 C HA 1.049 5.509 4.460 -0.000 0.000 0.322 174 C C 0.094 174.541 174.990 -0.904 0.000 1.398 174 C CA 0.055 58.737 59.018 -0.560 0.000 1.339 174 C CB 1.078 28.603 27.740 -0.358 0.000 1.668 174 C HN 1.189 nan 8.230 nan 0.000 0.462 175 G N 0.057 107.954 108.800 -1.504 0.000 2.403 175 G HA2 0.443 4.403 3.960 -0.000 0.000 0.223 175 G HA3 0.443 4.403 3.960 -0.000 0.000 0.223 175 G C -2.246 171.982 174.900 -1.119 0.000 1.287 175 G CA -0.335 44.192 45.100 -0.954 0.000 0.982 175 G HN 1.106 nan 8.290 nan 0.000 0.471 176 Y N -1.276 118.975 120.300 -0.082 0.000 2.499 176 Y HA 0.770 5.320 4.550 -0.000 0.000 0.347 176 Y C 0.103 176.187 175.900 0.307 0.000 0.987 176 Y CA -0.846 57.343 58.100 0.149 0.000 1.044 176 Y CB 2.418 40.901 38.460 0.039 0.000 1.245 176 Y HN 0.656 nan 8.280 nan 0.000 0.461 177 V N 2.419 122.582 119.914 0.415 0.000 2.925 177 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 177 V C -1.701 174.544 176.094 0.252 0.000 1.104 177 V CA -0.190 62.256 62.300 0.244 0.000 0.954 177 V CB 2.130 34.027 31.823 0.124 0.000 1.022 177 V HN 0.912 nan 8.190 nan 0.000 0.427 178 D N 2.455 122.952 120.400 0.161 0.000 2.671 178 D HA 0.364 5.004 4.640 -0.000 0.000 0.273 178 D C -0.943 175.230 176.300 -0.212 0.000 1.264 178 D CA -0.457 53.519 54.000 -0.040 0.000 0.788 178 D CB 1.763 42.510 40.800 -0.090 0.000 1.324 178 D HN 0.608 nan 8.370 nan 0.000 0.424 179 L N 1.169 122.012 121.223 -0.634 0.000 2.506 179 L HA 0.149 4.489 4.340 -0.000 0.000 0.281 179 L C 1.081 177.814 176.870 -0.229 0.000 1.228 179 L CA -0.029 54.552 54.840 -0.432 0.000 0.850 179 L CB 0.346 42.081 42.059 -0.539 0.000 1.110 179 L HN 0.415 nan 8.230 nan 0.000 0.496 180 S N 1.549 117.149 115.700 -0.167 0.000 2.572 180 S HA 0.243 4.713 4.470 -0.000 0.000 0.279 180 S C 1.039 175.577 174.600 -0.103 0.000 1.341 180 S CA -0.266 57.857 58.200 -0.128 0.000 1.043 180 S CB 1.557 64.676 63.200 -0.135 0.000 0.887 180 S HN 0.705 nan 8.310 nan 0.000 0.516 181 A N 2.933 125.705 122.820 -0.081 0.000 1.883 181 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 181 A C 2.276 179.827 177.584 -0.056 0.000 1.186 181 A CA 1.704 53.704 52.037 -0.062 0.000 0.624 181 A CB -0.956 18.015 19.000 -0.049 0.000 0.822 181 A HN 0.983 nan 8.150 nan 0.000 0.444 182 R N -0.422 120.042 120.500 -0.060 0.000 2.119 182 R HA -0.218 4.122 4.340 -0.000 0.000 0.246 182 R C 0.644 176.911 176.300 -0.054 0.000 1.146 182 R CA 2.105 58.170 56.100 -0.057 0.000 0.962 182 R CB -0.346 29.911 30.300 -0.071 0.000 0.863 182 R HN 0.432 nan 8.270 nan 0.000 0.442 183 D N -1.967 118.396 120.400 -0.062 0.000 2.340 183 D HA 0.130 4.770 4.640 -0.000 0.000 0.220 183 D C 0.677 176.968 176.300 -0.015 0.000 1.039 183 D CA 1.079 55.055 54.000 -0.039 0.000 0.866 183 D CB 1.037 41.813 40.800 -0.040 0.000 0.913 183 D HN 0.568 nan 8.370 nan 0.000 0.523 184 G N -0.889 107.894 108.800 -0.029 0.000 2.174 184 G HA2 0.223 4.183 3.960 -0.000 0.000 0.140 184 G HA3 0.223 4.183 3.960 -0.000 0.000 0.140 184 G C 0.674 175.552 174.900 -0.037 0.000 1.031 184 G CA 0.004 45.091 45.100 -0.020 0.000 0.728 184 G HN 0.677 nan 8.290 nan 0.000 0.496 185 G N -0.606 108.157 108.800 -0.061 0.000 2.698 185 G HA2 0.277 4.237 3.960 -0.000 0.000 0.225 185 G HA3 0.277 4.237 3.960 -0.000 0.000 0.225 185 G C 0.329 175.157 174.900 -0.120 0.000 1.345 185 G CA 0.516 45.570 45.100 -0.076 0.000 0.871 185 G HN 1.862 nan 8.290 nan 0.000 0.540 186 S N -0.265 115.361 115.700 -0.122 0.000 2.558 186 S HA 0.474 4.944 4.470 -0.000 0.000 0.287 186 S C 1.320 175.802 174.600 -0.196 0.000 1.321 186 S CA 0.906 59.002 58.200 -0.173 0.000 1.048 186 S CB -0.108 63.027 63.200 -0.107 0.000 0.844 186 S HN 2.264 nan 8.310 nan 0.000 0.512 187 A N 4.170 126.790 122.820 -0.335 0.000 2.567 187 A HA 0.123 4.443 4.320 -0.000 0.000 0.240 187 A C 1.132 178.660 177.584 -0.094 0.000 1.053 187 A CA 0.142 52.004 52.037 -0.292 0.000 0.755 187 A CB 0.001 18.733 19.000 -0.447 0.000 0.978 187 A HN 0.970 nan 8.150 nan 0.000 0.507 188 K N 0.821 121.213 120.400 -0.014 0.000 2.031 188 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 188 K C 0.279 176.915 176.600 0.059 0.000 1.049 188 K CA 1.778 58.084 56.287 0.032 0.000 0.939 188 K CB 0.117 32.652 32.500 0.058 0.000 0.717 188 K HN 0.808 nan 8.250 nan 0.000 0.438 189 D N -0.520 119.939 120.400 0.098 0.000 2.477 189 D HA 0.181 4.821 4.640 -0.000 0.000 0.239 189 D C -2.144 174.245 176.300 0.148 0.000 1.102 189 D CA -2.508 51.569 54.000 0.128 0.000 0.901 189 D CB 1.184 42.081 40.800 0.161 0.000 1.026 189 D HN -0.157 nan 8.370 nan 0.000 0.515 190 P HA -0.165 nan 4.420 nan 0.000 0.217 190 P C 1.567 178.982 177.300 0.191 0.000 1.151 190 P CA 0.965 64.163 63.100 0.164 0.000 0.849 190 P CB 0.281 32.054 31.700 0.122 0.000 0.787 191 L N -1.353 119.974 121.223 0.172 0.000 2.141 191 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 191 L C 2.474 179.483 176.870 0.232 0.000 1.094 191 L CA 1.445 56.400 54.840 0.191 0.000 0.763 191 L CB -1.091 41.086 42.059 0.196 0.000 0.908 191 L HN -0.056 nan 8.230 nan 0.000 0.437 192 A N -0.522 122.456 122.820 0.263 0.000 2.015 192 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 192 A C 2.084 179.923 177.584 0.424 0.000 1.163 192 A CA 1.279 53.522 52.037 0.344 0.000 0.646 192 A CB -0.587 18.657 19.000 0.405 0.000 0.806 192 A HN 0.455 nan 8.150 nan 0.000 0.448 193 F N 0.095 120.089 119.950 0.073 0.000 2.569 193 F HA 0.184 4.711 4.527 -0.000 0.000 0.295 193 F C 1.567 177.273 175.800 -0.156 0.000 1.115 193 F CA 0.172 58.055 58.000 -0.195 0.000 1.450 193 F CB -0.180 38.577 39.000 -0.406 0.000 1.107 193 F HN 0.092 nan 8.300 nan 0.000 0.563 194 L N 1.607 122.648 121.223 -0.302 0.000 2.013 194 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 194 L C -0.267 176.097 176.870 -0.843 0.000 1.073 194 L CA 1.634 56.107 54.840 -0.611 0.000 0.753 194 L CB -2.265 39.515 42.059 -0.465 0.000 0.890 194 L HN 0.118 nan 8.230 nan 0.000 0.432 195 P HA -0.194 nan 4.420 nan 0.000 0.218 195 P C 1.739 178.816 177.300 -0.371 0.000 1.148 195 P CA 1.269 64.073 63.100 -0.494 0.000 0.822 195 P CB 0.036 31.727 31.700 -0.017 0.000 0.784 196 L N 0.051 121.105 121.223 -0.282 0.000 2.068 196 L HA 0.119 4.459 4.340 -0.000 0.000 0.204 196 L C 2.477 179.134 176.870 -0.354 0.000 1.076 196 L CA 1.802 56.548 54.840 -0.157 0.000 0.753 196 L CB -1.657 40.475 42.059 0.122 0.000 0.910 196 L HN -0.111 nan 8.230 nan 0.000 0.439 197 A N -0.232 122.091 122.820 -0.827 0.000 1.917 197 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 197 A C 2.304 179.618 177.584 -0.449 0.000 1.182 197 A CA 2.740 54.297 52.037 -0.801 0.000 0.633 197 A CB -1.583 16.737 19.000 -1.134 0.000 0.819 197 A HN 0.599 nan 8.150 nan 0.000 0.448 198 V N -2.464 117.156 119.914 -0.490 0.000 2.720 198 V HA -0.100 4.020 4.120 -0.000 0.000 0.256 198 V C 1.256 177.214 176.094 -0.227 0.000 1.082 198 V CA 2.623 64.706 62.300 -0.362 0.000 1.101 198 V CB -0.524 31.012 31.823 -0.478 0.000 0.693 198 V HN 0.470 nan 8.190 nan 0.000 0.479 199 D N -0.344 119.934 120.400 -0.203 0.000 2.538 199 D HA 0.485 5.125 4.640 -0.000 0.000 0.231 199 D C 1.264 177.524 176.300 -0.067 0.000 1.229 199 D CA 0.592 54.516 54.000 -0.127 0.000 0.828 199 D CB 0.411 41.134 40.800 -0.129 0.000 1.035 199 D HN 0.499 nan 8.370 nan 0.000 0.495 200 A N 0.036 122.840 122.820 -0.027 0.000 2.423 200 A HA 0.368 4.688 4.320 -0.000 0.000 0.246 200 A C 0.293 177.945 177.584 0.114 0.000 1.278 200 A CA -0.066 52.088 52.037 0.195 0.000 0.903 200 A CB -0.145 18.973 19.000 0.197 0.000 0.997 200 A HN 0.260 nan 8.150 nan 0.000 0.510 201 L N -0.605 120.600 121.223 -0.030 0.000 2.313 201 L HA 0.484 4.824 4.340 -0.000 0.000 0.268 201 L C -2.507 174.395 176.870 0.053 0.000 1.010 201 L CA -2.631 52.168 54.840 -0.068 0.000 0.814 201 L CB 0.702 42.602 42.059 -0.264 0.000 1.304 201 L HN -0.108 nan 8.230 nan 0.000 0.441 202 P HA 0.134 nan 4.420 nan 0.000 0.264 202 P C -2.499 174.850 177.300 0.082 0.000 1.193 202 P CA -0.823 62.343 63.100 0.111 0.000 0.763 202 P CB -0.287 31.472 31.700 0.100 0.000 0.810 203 P HA -0.024 nan 4.420 nan 0.000 0.261 203 P C 0.926 178.217 177.300 -0.014 0.000 1.183 203 P CA 0.084 63.222 63.100 0.064 0.000 0.761 203 P CB 0.222 31.971 31.700 0.081 0.000 0.785 204 I N 5.484 126.055 120.570 0.001 0.000 2.454 204 I HA -0.177 3.993 4.170 -0.000 0.000 0.254 204 I C 1.882 177.909 176.117 -0.150 0.000 1.156 204 I CA 1.342 62.630 61.300 -0.019 0.000 1.433 204 I CB -0.368 37.670 38.000 0.064 0.000 1.082 204 I HN 0.166 nan 8.210 nan 0.000 0.432 205 V N 0.186 119.853 119.914 -0.410 0.000 2.720 205 V HA -0.224 3.896 4.120 -0.000 0.000 0.256 205 V C 2.546 178.480 176.094 -0.267 0.000 1.082 205 V CA 2.005 63.965 62.300 -0.567 0.000 1.101 205 V CB -0.713 30.285 31.823 -1.374 0.000 0.693 205 V HN 0.755 nan 8.190 nan 0.000 0.479 206 S N -0.176 115.423 115.700 -0.169 0.000 2.419 206 S HA -0.132 4.338 4.470 -0.000 0.000 0.233 206 S C 1.765 176.324 174.600 -0.069 0.000 1.016 206 S CA 1.712 59.865 58.200 -0.078 0.000 0.974 206 S CB -0.649 62.526 63.200 -0.042 0.000 0.786 206 S HN 0.603 nan 8.310 nan 0.000 0.492 207 L N -0.108 121.072 121.223 -0.072 0.000 2.552 207 L HA 0.226 4.566 4.340 -0.000 0.000 0.227 207 L C 1.743 178.588 176.870 -0.041 0.000 1.146 207 L CA 0.445 55.255 54.840 -0.051 0.000 0.858 207 L CB -0.298 41.742 42.059 -0.033 0.000 0.969 207 L HN 0.360 nan 8.230 nan 0.000 0.451 208 L N -2.121 119.071 121.223 -0.052 0.000 2.678 208 L HA 0.213 4.553 4.340 -0.000 0.000 0.211 208 L C 0.521 177.379 176.870 -0.019 0.000 1.043 208 L CA -0.086 54.734 54.840 -0.033 0.000 0.881 208 L CB 0.371 42.407 42.059 -0.038 0.000 1.361 208 L HN -0.030 nan 8.230 nan 0.000 0.484 209 V N -3.172 116.731 119.914 -0.019 0.000 3.158 209 V HA 0.456 4.576 4.120 -0.000 0.000 0.315 209 V C -0.934 175.175 176.094 0.025 0.000 1.148 209 V CA -0.665 61.652 62.300 0.028 0.000 1.042 209 V CB 1.653 33.529 31.823 0.089 0.000 1.101 209 V HN 0.325 nan 8.190 nan 0.000 0.448 210 D N -0.638 119.767 120.400 0.008 0.000 3.134 210 D HA 0.199 4.839 4.640 -0.000 0.000 0.248 210 D C -0.904 175.275 176.300 -0.203 0.000 1.273 210 D CA -0.116 53.828 54.000 -0.094 0.000 0.904 210 D CB -0.605 40.110 40.800 -0.141 0.000 1.089 210 D HN 0.617 nan 8.370 nan 0.000 0.478 211 W N -0.181 121.075 121.300 -0.074 0.000 2.683 211 W HA 0.334 4.994 4.660 -0.000 0.000 0.329 211 W C 0.838 177.321 176.519 -0.061 0.000 1.037 211 W CA -0.832 56.478 57.345 -0.058 0.000 1.232 211 W CB 2.203 31.613 29.460 -0.083 0.000 1.390 211 W HN -0.183 nan 8.180 nan 0.000 0.465 212 S N 1.583 117.427 115.700 0.240 0.000 2.558 212 S HA 0.051 4.521 4.470 -0.000 0.000 0.217 212 S C -0.679 174.093 174.600 0.286 0.000 0.975 212 S CA 0.170 58.474 58.200 0.173 0.000 0.912 212 S CB 0.111 63.379 63.200 0.114 0.000 0.776 212 S HN 0.500 nan 8.310 nan 0.000 0.526 213 W N -0.627 120.739 121.300 0.110 0.000 3.057 213 W HA 0.579 5.239 4.660 -0.000 0.000 0.328 213 W C -2.215 174.345 176.519 0.068 0.000 1.232 213 W CA -0.791 56.591 57.345 0.062 0.000 1.187 213 W CB 0.369 29.851 29.460 0.037 0.000 1.417 213 W HN -0.147 nan 8.180 nan 0.000 0.569 214 A N 3.566 125.757 122.820 -1.049 0.000 2.547 214 A HA 0.778 5.098 4.320 -0.000 0.000 0.297 214 A C -3.012 173.497 177.584 -1.791 0.000 1.056 214 A CA -1.451 49.914 52.037 -1.120 0.000 0.688 214 A CB 1.763 20.527 19.000 -0.393 0.000 1.282 214 A HN 0.216 nan 8.150 nan 0.000 0.400 215 P HA 0.291 nan 4.420 nan 0.000 0.271 215 P C -0.035 176.867 177.300 -0.664 0.000 1.216 215 P CA 0.318 62.850 63.100 -0.946 0.000 0.771 215 P CB 0.478 31.906 31.700 -0.454 0.000 0.864 216 T N 2.091 116.262 114.554 -0.638 0.000 2.916 216 T HA 0.091 4.441 4.350 -0.000 0.000 0.303 216 T C 1.577 176.059 174.700 -0.362 0.000 1.025 216 T CA -0.163 61.581 62.100 -0.594 0.000 1.142 216 T CB 0.423 68.748 68.868 -0.905 0.000 0.947 216 T HN 0.076 nan 8.240 nan 0.000 0.544 217 V N 1.077 120.882 119.914 -0.181 0.000 2.581 217 V HA 0.209 4.329 4.120 -0.000 0.000 0.240 217 V C 0.888 177.025 176.094 0.071 0.000 1.054 217 V CA 0.880 63.191 62.300 0.018 0.000 1.076 217 V CB 0.082 31.980 31.823 0.124 0.000 0.748 217 V HN 0.767 nan 8.190 nan 0.000 0.474 218 E N 0.049 120.235 120.200 -0.022 0.000 2.321 218 E HA 0.469 4.819 4.350 -0.000 0.000 0.278 218 E C -1.994 174.595 176.600 -0.019 0.000 0.902 218 E CA -0.442 55.880 56.400 -0.130 0.000 0.758 218 E CB 2.629 32.133 29.700 -0.328 0.000 1.213 218 E HN 0.222 nan 8.360 nan 0.000 0.426 219 L N 2.674 123.954 121.223 0.094 0.000 2.438 219 L HA 0.587 4.927 4.340 -0.000 0.000 0.270 219 L C -1.342 175.621 176.870 0.155 0.000 0.972 219 L CA -0.214 54.708 54.840 0.137 0.000 0.831 219 L CB 2.188 44.384 42.059 0.227 0.000 1.273 219 L HN 0.429 nan 8.230 nan 0.000 0.405 220 T N 4.549 119.140 114.554 0.063 0.000 2.824 220 T HA 0.585 4.935 4.350 -0.000 0.000 0.282 220 T C -1.404 173.265 174.700 -0.051 0.000 0.993 220 T CA -0.329 61.748 62.100 -0.037 0.000 0.967 220 T CB 0.930 69.717 68.868 -0.135 0.000 0.960 220 T HN 0.647 nan 8.240 nan 0.000 0.441 221 W N 3.460 124.573 121.300 -0.312 0.000 3.032 221 W HA 0.565 5.225 4.660 -0.000 0.000 0.335 221 W C -1.658 174.599 176.519 -0.436 0.000 1.154 221 W CA -0.797 56.345 57.345 -0.338 0.000 1.204 221 W CB 0.929 30.317 29.460 -0.119 0.000 1.416 221 W HN 0.538 nan 8.180 nan 0.000 0.521 222 H N 3.600 122.664 119.070 -0.010 0.000 2.538 222 H HA 0.398 4.954 4.556 -0.000 0.000 0.353 222 H C -0.691 174.592 175.328 -0.075 0.000 1.109 222 H CA -0.947 54.958 56.048 -0.238 0.000 1.192 222 H CB 2.875 32.571 29.762 -0.110 0.000 1.555 222 H HN 0.341 nan 8.280 nan 0.000 0.518 223 L N 3.422 124.565 121.223 -0.133 0.000 2.265 223 L HA 0.256 4.596 4.340 -0.000 0.000 0.288 223 L C 0.787 177.665 176.870 0.013 0.000 1.058 223 L CA -0.092 54.785 54.840 0.061 0.000 0.809 223 L CB 0.549 42.601 42.059 -0.013 0.000 1.179 223 L HN 0.439 nan 8.230 nan 0.000 0.429 224 R N 3.871 124.386 120.500 0.025 0.000 2.279 224 R HA 0.573 4.913 4.340 -0.000 0.000 0.195 224 R C -0.250 176.030 176.300 -0.033 0.000 0.905 224 R CA 0.562 56.652 56.100 -0.017 0.000 1.044 224 R CB 0.020 30.305 30.300 -0.024 0.000 1.056 224 R HN 0.640 nan 8.270 nan 0.000 0.535 225 A N 0.653 123.452 122.820 -0.036 0.000 2.612 225 A HA 0.574 4.894 4.320 -0.000 0.000 0.293 225 A C -1.191 176.351 177.584 -0.070 0.000 1.075 225 A CA -0.683 51.323 52.037 -0.052 0.000 0.680 225 A CB 1.238 20.222 19.000 -0.028 0.000 1.279 225 A HN -0.027 nan 8.150 nan 0.000 0.411 226 I N 2.905 123.412 120.570 -0.106 0.000 2.337 226 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 226 I C -1.995 174.093 176.117 -0.047 0.000 1.046 226 I CA -1.637 59.591 61.300 -0.120 0.000 1.324 226 I CB 0.439 38.334 38.000 -0.175 0.000 1.409 226 I HN 0.403 nan 8.210 nan 0.000 0.494 227 P HA 0.329 nan 4.420 nan 0.000 0.281 227 P C -0.431 176.891 177.300 0.036 0.000 1.249 227 P CA -0.518 62.599 63.100 0.030 0.000 0.810 227 P CB 1.491 33.225 31.700 0.056 0.000 1.008 228 E N 2.292 122.520 120.200 0.047 0.000 2.319 228 E HA 0.356 4.706 4.350 -0.000 0.000 0.268 228 E C -2.074 174.560 176.600 0.057 0.000 1.050 228 E CA -2.086 54.344 56.400 0.049 0.000 0.878 228 E CB -0.568 29.162 29.700 0.051 0.000 1.066 228 E HN 0.322 nan 8.360 nan 0.000 0.406 229 P HA 0.270 nan 4.420 nan 0.000 0.267 229 P C -0.570 176.753 177.300 0.039 0.000 1.201 229 P CA 0.472 63.596 63.100 0.040 0.000 0.775 229 P CB 0.537 32.254 31.700 0.027 0.000 0.854 230 G N 1.160 109.977 108.800 0.028 0.000 2.347 230 G HA2 0.102 4.062 3.960 -0.000 0.000 0.477 230 G HA3 0.102 4.062 3.960 -0.000 0.000 0.477 230 G C -3.275 171.662 174.900 0.063 0.000 1.349 230 G CA -1.008 44.111 45.100 0.031 0.000 1.000 230 G HN 0.448 nan 8.290 nan 0.000 0.605 231 P HA 0.414 nan 4.420 nan 0.000 0.269 231 P C -0.177 177.261 177.300 0.231 0.000 1.209 231 P CA -0.023 63.164 63.100 0.145 0.000 0.776 231 P CB 0.732 32.516 31.700 0.139 0.000 0.876 232 L N 1.696 123.083 121.223 0.273 0.000 2.309 232 L HA 0.534 4.874 4.340 -0.000 0.000 0.282 232 L C 0.850 177.878 176.870 0.263 0.000 1.036 232 L CA -1.037 53.960 54.840 0.263 0.000 0.806 232 L CB 1.318 43.511 42.059 0.223 0.000 1.220 232 L HN 0.375 nan 8.230 nan 0.000 0.429 233 A N 3.493 126.417 122.820 0.174 0.000 2.401 233 A HA 0.600 4.920 4.320 -0.000 0.000 0.259 233 A C -0.659 177.030 177.584 0.175 0.000 1.103 233 A CA -0.134 51.814 52.037 -0.148 0.000 0.789 233 A CB 0.042 18.898 19.000 -0.240 0.000 1.035 233 A HN 0.569 nan 8.150 nan 0.000 0.491 234 F N 0.594 120.539 119.950 -0.008 0.000 2.593 234 F HA 0.875 5.402 4.527 -0.000 0.000 0.320 234 F C -0.390 175.505 175.800 0.158 0.000 1.060 234 F CA -1.228 56.856 58.000 0.140 0.000 0.940 234 F CB 1.687 40.715 39.000 0.046 0.000 1.268 234 F HN 0.642 nan 8.300 nan 0.000 0.475 235 R N 1.979 122.771 120.500 0.487 0.000 2.548 235 R HA 0.579 4.918 4.340 -0.000 0.000 0.280 235 R C -1.967 174.553 176.300 0.367 0.000 1.061 235 R CA -0.494 55.808 56.100 0.338 0.000 0.915 235 R CB 2.077 32.547 30.300 0.283 0.000 1.210 235 R HN 0.968 nan 8.270 nan 0.000 0.442 236 S N 2.140 118.039 115.700 0.331 0.000 2.502 236 S HA 0.629 5.099 4.470 -0.000 0.000 0.304 236 S C -0.858 173.847 174.600 0.175 0.000 1.097 236 S CA -0.263 58.078 58.200 0.236 0.000 1.045 236 S CB 1.416 64.754 63.200 0.230 0.000 1.019 236 S HN 0.707 nan 8.310 nan 0.000 0.481 237 T N 0.545 115.185 114.554 0.142 0.000 2.812 237 T HA 0.746 5.096 4.350 -0.000 0.000 0.294 237 T C -0.913 173.855 174.700 0.113 0.000 1.159 237 T CA -0.814 61.356 62.100 0.117 0.000 1.008 237 T CB 1.197 70.130 68.868 0.109 0.000 1.289 237 T HN 0.870 nan 8.240 nan 0.000 0.514 238 C N 0.635 119.995 119.300 0.100 0.000 2.811 238 C HA 0.831 5.291 4.460 -0.000 0.000 0.352 238 C C 1.135 176.179 174.990 0.089 0.000 1.098 238 C CA 0.237 59.322 59.018 0.111 0.000 1.295 238 C CB 0.443 28.256 27.740 0.121 0.000 1.758 238 C HN 1.289 nan 8.230 nan 0.000 0.488 239 A N 3.715 126.587 122.820 0.087 0.000 2.063 239 A HA 0.561 4.881 4.320 -0.000 0.000 0.211 239 A C 0.036 177.662 177.584 0.070 0.000 1.177 239 A CA 0.532 52.610 52.037 0.069 0.000 0.759 239 A CB 0.082 19.117 19.000 0.058 0.000 0.857 239 A HN 1.102 nan 8.150 nan 0.000 0.468 240 L N -0.690 120.588 121.223 0.091 0.000 2.565 240 L HA 0.543 4.883 4.340 -0.000 0.000 0.261 240 L C -1.793 175.160 176.870 0.139 0.000 0.932 240 L CA -0.362 54.534 54.840 0.094 0.000 0.878 240 L CB 2.289 44.392 42.059 0.074 0.000 1.333 240 L HN -0.119 nan 8.230 nan 0.000 0.409 241 V N 3.454 123.443 119.914 0.125 0.000 2.378 241 V HA 0.860 4.980 4.120 -0.000 0.000 0.288 241 V C -0.372 175.798 176.094 0.127 0.000 1.016 241 V CA -0.285 62.107 62.300 0.153 0.000 0.840 241 V CB 1.420 33.305 31.823 0.103 0.000 0.994 241 V HN 0.777 nan 8.190 nan 0.000 0.431 242 S N 3.299 119.094 115.700 0.159 0.000 2.562 242 S HA 0.472 4.942 4.470 -0.000 0.000 0.274 242 S C -0.419 174.297 174.600 0.193 0.000 1.160 242 S CA -0.329 57.954 58.200 0.137 0.000 0.933 242 S CB 1.223 64.486 63.200 0.104 0.000 1.100 242 S HN 0.978 nan 8.310 nan 0.000 0.468 243 D N 3.077 123.566 120.400 0.149 0.000 2.772 243 D HA -0.143 4.497 4.640 -0.000 0.000 0.233 243 D C 1.026 177.399 176.300 0.122 0.000 1.143 243 D CA 2.832 56.932 54.000 0.167 0.000 0.700 243 D CB -1.278 39.661 40.800 0.232 0.000 1.076 243 D HN 1.733 nan 8.370 nan 0.000 0.430 244 G N -2.240 106.574 108.800 0.023 0.000 2.234 244 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 244 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 244 G C 0.261 175.029 174.900 -0.220 0.000 0.987 244 G CA 0.330 45.332 45.100 -0.163 0.000 0.625 244 G HN 0.349 nan 8.290 nan 0.000 0.532 245 W N 0.723 122.021 121.300 -0.004 0.000 2.376 245 W HA 0.672 5.332 4.660 -0.000 0.000 0.322 245 W C 0.389 176.953 176.519 0.075 0.000 1.160 245 W CA -0.563 56.756 57.345 -0.042 0.000 1.218 245 W CB 0.598 30.011 29.460 -0.078 0.000 1.205 245 W HN 0.331 nan 8.180 nan 0.000 0.559 246 F N 0.683 120.713 119.950 0.134 0.000 2.613 246 F HA 0.509 5.036 4.527 -0.000 0.000 0.310 246 F C -0.844 174.994 175.800 0.063 0.000 1.085 246 F CA -1.749 56.291 58.000 0.067 0.000 0.945 246 F CB 1.218 40.217 39.000 -0.003 0.000 1.298 246 F HN 0.281 nan 8.300 nan 0.000 0.455 247 D N 0.893 121.387 120.400 0.156 0.000 2.217 247 D HA 0.249 4.888 4.640 -0.000 0.000 0.243 247 D C -1.326 175.081 176.300 0.179 0.000 1.054 247 D CA -0.267 53.769 54.000 0.061 0.000 0.838 247 D CB 2.451 43.284 40.800 0.054 0.000 1.162 247 D HN 0.879 nan 8.370 nan 0.000 0.472 248 E N 2.293 122.561 120.200 0.113 0.000 2.155 248 E HA 0.192 4.542 4.350 -0.000 0.000 0.264 248 E C -1.145 175.505 176.600 0.083 0.000 0.886 248 E CA -0.806 55.684 56.400 0.149 0.000 0.752 248 E CB 0.694 30.504 29.700 0.183 0.000 1.133 248 E HN 0.312 nan 8.360 nan 0.000 0.414 249 N N 3.916 122.672 118.700 0.094 0.000 2.469 249 N HA 0.256 4.996 4.740 -0.000 0.000 0.253 249 N C -1.146 174.418 175.510 0.090 0.000 0.970 249 N CA -0.360 52.738 53.050 0.080 0.000 0.940 249 N CB 1.975 40.513 38.487 0.086 0.000 1.128 249 N HN 0.145 nan 8.380 nan 0.000 0.503 250 V N 2.328 122.279 119.914 0.062 0.000 2.409 250 V HA 0.315 4.435 4.120 -0.000 0.000 0.291 250 V C -0.389 175.714 176.094 0.014 0.000 1.020 250 V CA -0.766 61.571 62.300 0.063 0.000 0.848 250 V CB 1.909 33.740 31.823 0.012 0.000 0.990 250 V HN 0.487 nan 8.190 nan 0.000 0.430 251 D N 4.807 125.217 120.400 0.017 0.000 2.248 251 D HA 0.663 5.303 4.640 -0.000 0.000 0.246 251 D C -0.689 175.449 176.300 -0.271 0.000 1.027 251 D CA -0.241 53.610 54.000 -0.248 0.000 0.853 251 D CB 2.841 43.383 40.800 -0.430 0.000 1.243 251 D HN 0.288 nan 8.370 nan 0.000 0.462 252 L N 1.118 122.078 121.223 -0.439 0.000 2.365 252 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 252 L C -0.466 176.209 176.870 -0.325 0.000 1.000 252 L CA -0.876 53.860 54.840 -0.174 0.000 0.819 252 L CB 2.236 44.239 42.059 -0.094 0.000 1.284 252 L HN 0.197 nan 8.230 nan 0.000 0.418 253 W N 1.187 122.498 121.300 0.019 0.000 2.799 253 W HA 0.306 4.966 4.660 0.000 0.000 0.349 253 W C -0.413 176.129 176.519 0.038 0.000 1.100 253 W CA -0.595 56.761 57.345 0.019 0.000 1.174 253 W CB 2.288 31.744 29.460 -0.006 0.000 1.427 253 W HN 0.513 nan 8.180 nan 0.000 0.547 254 D N -0.417 120.146 120.400 0.271 0.000 2.466 254 D HA 0.343 4.983 4.640 -0.000 0.000 0.262 254 D C 1.132 177.546 176.300 0.189 0.000 1.177 254 D CA -0.362 53.753 54.000 0.191 0.000 1.035 254 D CB 0.207 41.085 40.800 0.129 0.000 1.105 254 D HN 0.303 nan 8.370 nan 0.000 0.551 255 A N 0.086 122.996 122.820 0.151 0.000 1.997 255 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 255 A C 2.053 179.701 177.584 0.106 0.000 1.172 255 A CA 1.663 53.776 52.037 0.128 0.000 0.645 255 A CB -0.688 18.367 19.000 0.091 0.000 0.813 255 A HN 0.600 nan 8.150 nan 0.000 0.454 256 R N -1.641 118.920 120.500 0.102 0.000 2.310 256 R HA 0.276 4.616 4.340 -0.000 0.000 0.202 256 R C 1.224 177.577 176.300 0.090 0.000 0.933 256 R CA 0.538 56.688 56.100 0.083 0.000 1.054 256 R CB -0.065 30.280 30.300 0.074 0.000 0.985 256 R HN 0.717 nan 8.270 nan 0.000 0.489 257 G N 1.588 110.463 108.800 0.125 0.000 2.136 257 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.242 257 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.242 257 G C -0.228 174.829 174.900 0.262 0.000 0.989 257 G CA -0.249 44.933 45.100 0.136 0.000 0.682 257 G HN 0.270 nan 8.290 nan 0.000 0.522 258 R N -0.429 120.214 120.500 0.240 0.000 2.221 258 R HA 0.525 4.865 4.340 -0.000 0.000 0.327 258 R C 0.441 176.844 176.300 0.172 0.000 1.033 258 R CA -0.890 55.324 56.100 0.190 0.000 0.887 258 R CB 1.185 31.543 30.300 0.097 0.000 1.057 258 R HN 0.227 nan 8.270 nan 0.000 0.455 259 L N 5.050 126.317 121.223 0.074 0.000 2.534 259 L HA -0.041 4.299 4.340 -0.000 0.000 0.271 259 L C 0.803 177.566 176.870 -0.177 0.000 1.178 259 L CA 0.585 55.233 54.840 -0.319 0.000 0.907 259 L CB 1.056 42.931 42.059 -0.306 0.000 1.164 259 L HN 0.692 nan 8.230 nan 0.000 0.482 260 V N 2.099 121.894 119.914 -0.199 0.000 3.484 260 V HA 0.690 4.810 4.120 -0.000 0.000 0.252 260 V C 0.601 176.691 176.094 -0.008 0.000 1.282 260 V CA 0.476 62.737 62.300 -0.065 0.000 1.104 260 V CB -0.303 31.513 31.823 -0.011 0.000 0.868 260 V HN 0.899 nan 8.190 nan 0.000 0.457 261 A N 0.181 122.951 122.820 -0.084 0.000 2.422 261 A HA 0.834 5.154 4.320 -0.000 0.000 0.302 261 A C -1.049 176.509 177.584 -0.043 0.000 1.041 261 A CA -0.550 51.523 52.037 0.060 0.000 0.708 261 A CB 1.768 20.752 19.000 -0.028 0.000 1.257 261 A HN 0.424 nan 8.150 nan 0.000 0.414 262 Q N 0.799 120.666 119.800 0.112 0.000 2.290 262 Q HA 0.593 4.933 4.340 -0.000 0.000 0.269 262 Q C -1.009 175.078 176.000 0.145 0.000 1.016 262 Q CA -0.367 55.477 55.803 0.068 0.000 0.754 262 Q CB 2.222 31.019 28.738 0.098 0.000 1.247 262 Q HN 0.652 nan 8.270 nan 0.000 0.451 263 S N 2.432 118.184 115.700 0.087 0.000 2.521 263 S HA 0.671 5.141 4.470 -0.000 0.000 0.295 263 S C -1.396 173.238 174.600 0.056 0.000 1.098 263 S CA -0.637 57.621 58.200 0.097 0.000 0.999 263 S CB 1.150 64.376 63.200 0.044 0.000 1.034 263 S HN 0.612 nan 8.310 nan 0.000 0.483 264 R N 2.978 123.506 120.500 0.046 0.000 2.532 264 R HA 0.426 4.766 4.340 -0.000 0.000 0.297 264 R C -1.090 175.214 176.300 0.005 0.000 0.984 264 R CA -0.516 55.600 56.100 0.027 0.000 0.884 264 R CB 1.245 31.563 30.300 0.029 0.000 1.182 264 R HN 0.830 nan 8.270 nan 0.000 0.442 265 Q N 3.408 123.195 119.800 -0.020 0.000 2.351 265 Q HA 0.556 4.896 4.340 -0.000 0.000 0.273 265 Q C -1.537 174.382 176.000 -0.136 0.000 1.077 265 Q CA -1.087 54.674 55.803 -0.070 0.000 0.843 265 Q CB 2.376 31.055 28.738 -0.099 0.000 1.367 265 Q HN 0.412 nan 8.270 nan 0.000 0.449 266 L N 1.338 122.462 121.223 -0.165 0.000 2.362 266 L HA 0.901 5.241 4.340 -0.000 0.000 0.275 266 L C -1.613 175.100 176.870 -0.262 0.000 0.998 266 L CA -0.354 54.369 54.840 -0.196 0.000 0.820 266 L CB 1.978 43.989 42.059 -0.081 0.000 1.270 266 L HN 0.943 nan 8.230 nan 0.000 0.415 267 A N 4.726 127.216 122.820 -0.550 0.000 2.572 267 A HA 0.784 5.104 4.320 -0.000 0.000 0.295 267 A C -1.285 175.841 177.584 -0.765 0.000 1.072 267 A CA -0.760 50.881 52.037 -0.660 0.000 0.691 267 A CB 1.579 20.075 19.000 -0.840 0.000 1.291 267 A HN 0.642 nan 8.150 nan 0.000 0.404 268 R N 1.869 121.845 120.500 -0.874 0.000 2.360 268 R HA 0.529 4.869 4.340 -0.000 0.000 0.318 268 R C -0.813 175.044 176.300 -0.739 0.000 0.950 268 R CA -0.442 55.011 56.100 -1.078 0.000 0.837 268 R CB 1.381 30.570 30.300 -1.852 0.000 1.165 268 R HN 0.624 nan 8.270 nan 0.000 0.458 269 V N 3.583 123.140 119.914 -0.596 0.000 2.953 269 V HA -0.017 4.103 4.120 -0.000 0.000 0.304 269 V C 1.277 176.742 176.094 -1.049 0.000 1.138 269 V CA 2.341 64.093 62.300 -0.913 0.000 1.266 269 V CB 1.106 32.355 31.823 -0.956 0.000 0.923 269 V HN 1.132 nan 8.190 nan 0.000 0.505 270 G N 4.135 112.014 108.800 -1.535 0.000 2.160 270 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.251 270 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.251 270 G C 0.221 174.887 174.900 -0.389 0.000 1.008 270 G CA 0.632 45.197 45.100 -0.890 0.000 0.724 270 G HN 0.698 nan 8.290 nan 0.000 0.514 271 R N 0.000 120.258 120.500 -0.403 0.000 2.786 271 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 271 R CA 0.000 55.959 56.100 -0.236 0.000 0.921 271 R CB 0.000 30.121 30.300 -0.299 0.000 0.687 271 R HN 0.000 nan 8.270 nan 0.000 0.535