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 2w7d_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE FAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD 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 0.000 176.217 176.300 -0.139 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.625 32.600 0.042 0.000 1.302 2 K N 0.469 120.771 120.400 -0.164 0.000 2.367 2 K HA 0.231 4.573 4.320 0.037 0.000 0.198 2 K C 0.514 176.790 176.600 -0.540 0.000 1.132 2 K CA 0.775 56.825 56.287 -0.394 0.000 0.941 2 K CB 0.563 32.742 32.500 -0.535 0.000 1.052 2 K HN 0.657 nan 8.250 nan 0.000 0.507 3 Y N -0.138 120.089 120.300 -0.123 0.000 2.500 3 Y HA 0.082 4.643 4.550 0.018 0.000 0.284 3 Y C 1.730 177.553 175.900 -0.128 0.000 1.118 3 Y CA -0.092 57.943 58.100 -0.108 0.000 1.241 3 Y CB 0.007 38.425 38.460 -0.071 0.000 1.171 3 Y HN -0.026 nan 8.280 nan 0.000 0.540 4 L N 1.693 122.921 121.223 0.008 0.000 2.012 4 L HA -0.088 4.274 4.340 0.037 0.000 0.210 4 L C -0.947 175.816 176.870 -0.179 0.000 1.073 4 L CA 2.088 56.907 54.840 -0.035 0.000 0.748 4 L CB -1.551 40.534 42.059 0.043 0.000 0.891 4 L HN -0.005 nan 8.230 nan 0.000 0.431 5 P HA -0.212 nan 4.420 nan 0.000 0.216 5 P C 1.418 178.568 177.300 -0.249 0.000 1.150 5 P CA 1.455 64.149 63.100 -0.677 0.000 0.837 5 P CB 0.038 31.123 31.700 -1.026 0.000 0.786 6 Q N -0.258 119.428 119.800 -0.189 0.000 2.096 6 Q HA -0.175 4.188 4.340 0.037 0.000 0.197 6 Q C 2.332 178.308 176.000 -0.040 0.000 0.964 6 Q CA 1.480 57.226 55.803 -0.095 0.000 0.838 6 Q CB -0.902 27.782 28.738 -0.090 0.000 0.906 6 Q HN -0.010 nan 8.270 nan 0.000 0.444 7 Q N 0.401 120.188 119.800 -0.022 0.000 2.079 7 Q HA -0.060 4.302 4.340 0.037 0.000 0.200 7 Q C -0.305 175.701 176.000 0.011 0.000 0.974 7 Q CA 1.724 57.530 55.803 0.006 0.000 0.840 7 Q CB 0.215 28.967 28.738 0.023 0.000 0.898 7 Q HN 0.303 nan 8.270 nan 0.000 0.430 8 D N -1.409 119.003 120.400 0.020 0.000 2.517 8 D HA 0.210 4.872 4.640 0.037 0.000 0.263 8 D C -2.241 174.113 176.300 0.089 0.000 1.233 8 D CA -1.735 52.294 54.000 0.048 0.000 0.849 8 D CB 1.237 42.069 40.800 0.054 0.000 1.261 8 D HN -0.036 nan 8.370 nan 0.000 0.516 9 P HA -0.175 nan 4.420 nan 0.000 0.216 9 P C 1.427 178.805 177.300 0.130 0.000 1.153 9 P CA 1.344 64.516 63.100 0.121 0.000 0.858 9 P CB 0.528 32.271 31.700 0.071 0.000 0.789 10 Q N -0.851 118.997 119.800 0.080 0.000 2.020 10 Q HA -0.111 4.252 4.340 0.037 0.000 0.202 10 Q C 2.159 178.195 176.000 0.060 0.000 0.982 10 Q CA 1.415 57.252 55.803 0.056 0.000 0.838 10 Q CB -0.879 27.880 28.738 0.036 0.000 0.899 10 Q HN 0.092 nan 8.270 nan 0.000 0.423 11 V N 0.686 120.645 119.914 0.074 0.000 2.287 11 V HA -0.256 3.886 4.120 0.037 0.000 0.248 11 V C 1.975 178.132 176.094 0.104 0.000 1.053 11 V CA 1.835 64.179 62.300 0.074 0.000 1.027 11 V CB -0.634 31.233 31.823 0.072 0.000 0.646 11 V HN 0.314 nan 8.190 nan 0.000 0.447 12 F N 1.555 121.508 119.950 0.005 0.000 2.126 12 F HA -0.176 4.363 4.527 0.020 0.000 0.299 12 F C 2.288 178.090 175.800 0.003 0.000 1.096 12 F CA 1.385 59.387 58.000 0.004 0.000 1.255 12 F CB -0.677 38.324 39.000 0.002 0.000 0.997 12 F HN 0.077 nan 8.300 nan 0.000 0.479 13 A N 0.226 123.004 122.820 -0.069 0.000 1.940 13 A HA -0.074 4.268 4.320 0.037 0.000 0.219 13 A C 2.411 179.894 177.584 -0.167 0.000 1.176 13 A CA 1.921 53.865 52.037 -0.154 0.000 0.631 13 A CB -1.531 17.455 19.000 -0.023 0.000 0.814 13 A HN 0.505 nan 8.150 nan 0.000 0.446 14 A N -0.239 122.523 122.820 -0.097 0.000 1.897 14 A HA 0.013 4.355 4.320 0.037 0.000 0.215 14 A C 2.106 179.630 177.584 -0.099 0.000 1.181 14 A CA 1.303 53.297 52.037 -0.072 0.000 0.620 14 A CB -0.534 18.449 19.000 -0.029 0.000 0.821 14 A HN 0.476 nan 8.150 nan 0.000 0.443 15 I N -0.253 120.242 120.570 -0.124 0.000 2.208 15 I HA -0.234 3.959 4.170 0.037 0.000 0.245 15 I C 2.473 178.473 176.117 -0.194 0.000 1.097 15 I CA 1.299 62.525 61.300 -0.124 0.000 1.363 15 I CB -0.314 37.639 38.000 -0.078 0.000 1.051 15 I HN 0.309 nan 8.210 nan 0.000 0.413 16 E N 0.605 120.583 120.200 -0.371 0.000 2.077 16 E HA -0.244 4.128 4.350 0.037 0.000 0.193 16 E C 2.157 178.648 176.600 -0.182 0.000 0.989 16 E CA 1.218 57.407 56.400 -0.353 0.000 0.800 16 E CB -0.282 29.083 29.700 -0.558 0.000 0.746 16 E HN 0.597 nan 8.360 nan 0.000 0.452 17 Q N 0.365 120.077 119.800 -0.147 0.000 2.061 17 Q HA -0.225 4.138 4.340 0.037 0.000 0.204 17 Q C 2.173 178.146 176.000 -0.046 0.000 0.984 17 Q CA 1.736 57.493 55.803 -0.077 0.000 0.846 17 Q CB -0.154 28.549 28.738 -0.059 0.000 0.902 17 Q HN 0.103 nan 8.270 nan 0.000 0.421 18 E N 1.103 121.275 120.200 -0.045 0.000 2.077 18 E HA -0.210 4.163 4.350 0.037 0.000 0.193 18 E C 1.825 178.428 176.600 0.005 0.000 0.989 18 E CA 1.425 57.818 56.400 -0.011 0.000 0.800 18 E CB -0.090 29.605 29.700 -0.008 0.000 0.746 18 E HN 0.191 nan 8.360 nan 0.000 0.452 19 R N 0.183 120.670 120.500 -0.021 0.000 2.083 19 R HA -0.132 4.230 4.340 0.037 0.000 0.237 19 R C 2.186 178.487 176.300 0.002 0.000 1.137 19 R CA 1.945 58.039 56.100 -0.011 0.000 0.951 19 R CB -0.075 30.199 30.300 -0.043 0.000 0.851 19 R HN 0.081 nan 8.270 nan 0.000 0.434 20 K N -0.247 120.145 120.400 -0.013 0.000 2.097 20 K HA -0.139 4.204 4.320 0.037 0.000 0.205 20 K C 2.275 178.909 176.600 0.058 0.000 1.050 20 K CA 1.180 57.476 56.287 0.015 0.000 0.938 20 K CB -0.187 32.305 32.500 -0.013 0.000 0.718 20 K HN 0.133 nan 8.250 nan 0.000 0.442 21 R N 1.558 122.081 120.500 0.037 0.000 2.083 21 R HA -0.194 4.168 4.340 0.037 0.000 0.237 21 R C 2.137 178.475 176.300 0.065 0.000 1.137 21 R CA 1.765 57.893 56.100 0.046 0.000 0.951 21 R CB -0.079 30.242 30.300 0.035 0.000 0.851 21 R HN 0.300 nan 8.270 nan 0.000 0.434 22 Q N -1.288 118.560 119.800 0.080 0.000 2.135 22 Q HA -0.246 4.117 4.340 0.037 0.000 0.204 22 Q C 1.976 177.973 176.000 -0.004 0.000 0.981 22 Q CA 2.001 57.871 55.803 0.111 0.000 0.856 22 Q CB -0.209 28.628 28.738 0.165 0.000 0.902 22 Q HN 0.539 nan 8.270 nan 0.000 0.425 23 H N -0.200 118.816 119.070 -0.090 0.000 2.363 23 H HA 0.041 4.619 4.556 0.037 0.000 0.301 23 H C 1.802 177.105 175.328 -0.041 0.000 1.074 23 H CA 1.558 57.540 56.048 -0.110 0.000 1.354 23 H CB 0.027 29.738 29.762 -0.086 0.000 1.397 23 H HN 0.223 nan 8.280 nan 0.000 0.516 24 A N 1.007 123.823 122.820 -0.007 0.000 1.968 24 A HA 0.031 4.373 4.320 0.037 0.000 0.217 24 A C 1.007 178.568 177.584 -0.037 0.000 1.169 24 A CA 0.524 52.547 52.037 -0.022 0.000 0.638 24 A CB -0.012 19.022 19.000 0.056 0.000 0.812 24 A HN 0.170 nan 8.150 nan 0.000 0.446 25 K N -0.165 120.229 120.400 -0.010 0.000 2.098 25 K HA 0.482 4.824 4.320 0.037 0.000 0.257 25 K C -0.667 175.941 176.600 0.013 0.000 0.999 25 K CA -0.343 55.954 56.287 0.016 0.000 0.924 25 K CB 0.872 33.396 32.500 0.039 0.000 1.028 25 K HN 0.249 nan 8.250 nan 0.000 0.466 26 I N 2.036 122.627 120.570 0.035 0.000 2.291 26 I HA 0.026 4.218 4.170 0.037 0.000 0.290 26 I C 0.382 176.517 176.117 0.030 0.000 1.050 26 I CA -0.591 60.731 61.300 0.036 0.000 1.245 26 I CB 0.651 38.707 38.000 0.094 0.000 1.405 26 I HN 0.412 nan 8.210 nan 0.000 0.478 27 E N 7.249 127.469 120.200 0.033 0.000 2.070 27 E HA 0.199 4.571 4.350 0.037 0.000 0.282 27 E C -0.033 176.566 176.600 -0.000 0.000 1.104 27 E CA 0.185 56.606 56.400 0.036 0.000 0.876 27 E CB 0.522 30.270 29.700 0.080 0.000 1.055 27 E HN 0.584 nan 8.360 nan 0.000 0.401 28 L N 4.856 126.080 121.223 0.002 0.000 2.808 28 L HA 0.340 4.703 4.340 0.037 0.000 0.246 28 L C 0.343 177.212 176.870 -0.000 0.000 1.153 28 L CA -0.387 54.452 54.840 -0.001 0.000 0.956 28 L CB 0.097 42.156 42.059 -0.001 0.000 1.270 28 L HN 0.535 nan 8.230 nan 0.000 0.528 29 I N 1.068 121.636 120.570 -0.002 0.000 2.662 29 I HA -0.084 4.108 4.170 0.037 0.000 0.285 29 I C 1.630 177.768 176.117 0.034 0.000 1.161 29 I CA 0.031 61.339 61.300 0.013 0.000 1.415 29 I CB 1.359 39.364 38.000 0.009 0.000 1.385 29 I HN 0.151 nan 8.210 nan 0.000 0.552 30 A N 4.563 127.433 122.820 0.084 0.000 2.070 30 A HA -0.144 4.199 4.320 0.037 0.000 0.220 30 A C 2.174 179.876 177.584 0.197 0.000 1.159 30 A CA 1.761 53.893 52.037 0.159 0.000 0.656 30 A CB -0.428 18.669 19.000 0.162 0.000 0.800 30 A HN 0.813 nan 8.150 nan 0.000 0.453 31 S N -0.624 115.135 115.700 0.099 0.000 2.558 31 S HA 0.092 4.585 4.470 0.037 0.000 0.217 31 S C 0.440 174.991 174.600 -0.083 0.000 0.975 31 S CA -0.225 57.903 58.200 -0.120 0.000 0.912 31 S CB 0.022 63.165 63.200 -0.096 0.000 0.776 31 S HN 0.464 nan 8.310 nan 0.000 0.526 32 E N 2.254 122.416 120.200 -0.064 0.000 2.349 32 E HA 0.488 4.861 4.350 0.037 0.000 0.265 32 E C -0.314 176.153 176.600 -0.222 0.000 1.064 32 E CA -0.192 56.120 56.400 -0.147 0.000 0.886 32 E CB 0.672 30.260 29.700 -0.187 0.000 1.036 32 E HN 0.256 nan 8.360 nan 0.000 0.413 33 N N 0.158 118.643 118.700 -0.357 0.000 3.106 33 N HA 0.385 5.147 4.740 0.037 0.000 0.253 33 N C -1.782 173.301 175.510 -0.712 0.000 1.506 33 N CA -0.530 52.270 53.050 -0.417 0.000 0.876 33 N CB 0.906 39.338 38.487 -0.091 0.000 1.452 33 N HN 0.155 nan 8.380 nan 0.000 0.542 34 F N 0.944 120.902 119.950 0.013 0.000 2.477 34 F HA 0.387 4.932 4.527 0.029 0.000 0.335 34 F C 0.704 176.499 175.800 -0.007 0.000 1.130 34 F CA -0.901 57.098 58.000 -0.002 0.000 0.948 34 F CB 1.246 40.238 39.000 -0.015 0.000 1.154 34 F HN 0.140 nan 8.300 nan 0.000 0.439 35 V N 0.281 120.283 119.914 0.146 0.000 3.083 35 V HA 0.680 4.822 4.120 0.037 0.000 0.306 35 V C 0.375 176.514 176.094 0.075 0.000 1.077 35 V CA -0.769 61.580 62.300 0.081 0.000 1.073 35 V CB 1.185 33.035 31.823 0.046 0.000 1.081 35 V HN 0.840 nan 8.190 nan 0.000 0.474 36 S N 2.372 118.097 115.700 0.041 0.000 2.614 36 S HA 0.345 4.838 4.470 0.037 0.000 0.265 36 S C 0.904 175.519 174.600 0.025 0.000 1.303 36 S CA -0.161 58.056 58.200 0.029 0.000 1.000 36 S CB 0.713 63.923 63.200 0.016 0.000 0.935 36 S HN 0.765 nan 8.310 nan 0.000 0.551 37 R N 0.810 121.322 120.500 0.021 0.000 2.096 37 R HA -0.070 4.292 4.340 0.037 0.000 0.235 37 R C 2.599 178.907 176.300 0.013 0.000 1.127 37 R CA 1.329 57.441 56.100 0.019 0.000 0.968 37 R CB -1.016 29.294 30.300 0.015 0.000 0.861 37 R HN 0.826 nan 8.270 nan 0.000 0.440 38 A N 0.705 123.530 122.820 0.008 0.000 1.908 38 A HA -0.149 4.194 4.320 0.037 0.000 0.218 38 A C 2.347 179.927 177.584 -0.006 0.000 1.181 38 A CA 1.568 53.606 52.037 0.001 0.000 0.627 38 A CB -0.632 18.367 19.000 -0.003 0.000 0.818 38 A HN 0.128 nan 8.150 nan 0.000 0.445 39 V N -0.108 119.801 119.914 -0.009 0.000 2.295 39 V HA -0.332 3.811 4.120 0.037 0.000 0.246 39 V C 2.668 178.756 176.094 -0.010 0.000 1.049 39 V CA 2.332 64.618 62.300 -0.022 0.000 1.024 39 V CB -0.664 31.145 31.823 -0.023 0.000 0.648 39 V HN 0.586 nan 8.190 nan 0.000 0.447 40 M N -0.851 118.753 119.600 0.007 0.000 2.117 40 M HA -0.202 4.301 4.480 0.037 0.000 0.262 40 M C 2.202 178.515 176.300 0.021 0.000 1.065 40 M CA 1.809 57.120 55.300 0.017 0.000 1.114 40 M CB -0.527 32.090 32.600 0.028 0.000 1.361 40 M HN 0.368 nan 8.290 nan 0.000 0.408 41 E N 0.422 120.632 120.200 0.017 0.000 2.110 41 E HA -0.173 4.200 4.350 0.037 0.000 0.193 41 E C 2.086 178.696 176.600 0.017 0.000 0.988 41 E CA 1.244 57.655 56.400 0.017 0.000 0.804 41 E CB -0.122 29.586 29.700 0.012 0.000 0.745 41 E HN 0.508 nan 8.360 nan 0.000 0.458 42 A N 1.236 124.062 122.820 0.009 0.000 1.902 42 A HA -0.238 4.105 4.320 0.037 0.000 0.217 42 A C 2.027 179.636 177.584 0.043 0.000 1.181 42 A CA 1.291 53.335 52.037 0.011 0.000 0.623 42 A CB -0.370 18.620 19.000 -0.016 0.000 0.818 42 A HN 0.191 nan 8.150 nan 0.000 0.443 43 Q N -0.945 118.880 119.800 0.041 0.000 2.224 43 Q HA -0.071 4.291 4.340 0.037 0.000 0.203 43 Q C 1.721 177.807 176.000 0.142 0.000 0.970 43 Q CA 1.000 56.861 55.803 0.096 0.000 0.865 43 Q CB -0.270 28.495 28.738 0.045 0.000 0.922 43 Q HN 0.652 nan 8.270 nan 0.000 0.445 44 G N 1.258 110.099 108.800 0.068 0.000 3.262 44 G HA2 0.024 4.007 3.960 0.037 0.000 0.228 44 G HA3 0.024 4.007 3.960 0.037 0.000 0.228 44 G C 0.379 175.283 174.900 0.007 0.000 1.197 44 G CA 0.028 45.151 45.100 0.037 0.000 0.819 44 G HN 0.267 nan 8.290 nan 0.000 0.531 45 S N -0.725 114.987 115.700 0.019 0.000 2.669 45 S HA 0.264 4.757 4.470 0.037 0.000 0.270 45 S C 1.598 176.166 174.600 -0.054 0.000 1.225 45 S CA 0.039 58.235 58.200 -0.006 0.000 0.991 45 S CB 1.523 64.735 63.200 0.019 0.000 0.987 45 S HN 0.561 nan 8.310 nan 0.000 0.552 46 V N -0.715 119.168 119.914 -0.052 0.000 3.383 46 V HA 0.018 4.161 4.120 0.037 0.000 0.272 46 V C 1.654 177.709 176.094 -0.064 0.000 1.181 46 V CA 0.935 63.192 62.300 -0.071 0.000 1.171 46 V CB -1.403 30.387 31.823 -0.055 0.000 0.800 46 V HN 0.694 nan 8.190 nan 0.000 0.515 47 L N 0.921 122.128 121.223 -0.027 0.000 2.353 47 L HA -0.076 4.286 4.340 0.037 0.000 0.220 47 L C 2.740 179.595 176.870 -0.025 0.000 1.133 47 L CA 2.250 57.102 54.840 0.020 0.000 0.798 47 L CB -1.254 40.860 42.059 0.092 0.000 0.922 47 L HN 0.521 nan 8.230 nan 0.000 0.445 48 T N -0.967 113.421 114.554 -0.277 0.000 2.897 48 T HA -0.185 4.187 4.350 0.037 0.000 0.271 48 T C 1.560 176.140 174.700 -0.201 0.000 1.084 48 T CA 1.767 63.555 62.100 -0.519 0.000 1.123 48 T CB -0.388 67.987 68.868 -0.822 0.000 0.865 48 T HN 0.532 nan 8.240 nan 0.000 0.496 49 N N -0.074 118.549 118.700 -0.130 0.000 2.515 49 N HA 0.035 4.798 4.740 0.037 0.000 0.185 49 N C 0.320 175.809 175.510 -0.035 0.000 1.109 49 N CA 0.161 53.161 53.050 -0.084 0.000 0.903 49 N CB 0.163 38.608 38.487 -0.070 0.000 0.969 49 N HN 0.125 nan 8.380 nan 0.000 0.450 50 K N 0.995 121.396 120.400 0.003 0.000 2.234 50 K HA 0.161 4.503 4.320 0.037 0.000 0.277 50 K C -1.293 175.373 176.600 0.108 0.000 1.038 50 K CA -0.522 55.794 56.287 0.048 0.000 0.888 50 K CB 0.218 32.749 32.500 0.052 0.000 1.091 50 K HN -0.177 nan 8.250 nan 0.000 0.467 51 F N 3.722 123.599 119.950 -0.122 0.000 2.444 51 F HA 0.420 4.968 4.527 0.035 0.000 0.360 51 F C 0.089 175.807 175.800 -0.136 0.000 1.106 51 F CA -0.927 56.957 58.000 -0.193 0.000 1.170 51 F CB 0.544 39.316 39.000 -0.380 0.000 1.113 51 F HN 0.633 nan 8.300 nan 0.000 0.521 52 A N 5.430 128.193 122.820 -0.094 0.000 2.992 52 A HA 0.271 4.613 4.320 0.037 0.000 0.263 52 A C 0.138 177.524 177.584 -0.331 0.000 0.928 52 A CA -0.525 51.406 52.037 -0.177 0.000 1.061 52 A CB -0.528 18.421 19.000 -0.085 0.000 1.173 52 A HN 0.696 nan 8.150 nan 0.000 0.482 53 E N 0.317 120.192 120.200 -0.542 0.000 2.452 53 E HA 0.369 4.741 4.350 0.037 0.000 0.261 53 E C 0.992 177.284 176.600 -0.513 0.000 0.987 53 E CA 1.376 57.314 56.400 -0.769 0.000 0.926 53 E CB 0.558 29.752 29.700 -0.845 0.000 0.934 53 E HN 1.020 nan 8.360 nan 0.000 0.452 54 G N 1.650 110.025 108.800 -0.707 0.000 2.428 54 G HA2 -0.206 3.777 3.960 0.037 0.000 0.202 54 G HA3 -0.206 3.777 3.960 0.037 0.000 0.202 54 G C -1.503 172.987 174.900 -0.685 0.000 1.247 54 G CA -0.742 44.163 45.100 -0.326 0.000 1.020 54 G HN 0.443 nan 8.290 nan 0.000 0.529 55 Y N -0.117 120.133 120.300 -0.083 0.000 2.605 55 Y HA 0.605 5.178 4.550 0.038 0.000 0.343 55 Y C -2.057 173.802 175.900 -0.068 0.000 1.036 55 Y CA -1.855 56.224 58.100 -0.035 0.000 1.065 55 Y CB 2.079 40.559 38.460 0.033 0.000 1.288 55 Y HN 0.428 nan 8.280 nan 0.000 0.481 56 P HA 0.037 nan 4.420 nan 0.000 0.260 56 P C 0.592 177.903 177.300 0.018 0.000 1.172 56 P CA 1.996 65.121 63.100 0.042 0.000 0.760 56 P CB 0.216 31.954 31.700 0.063 0.000 0.773 57 G N 3.154 111.935 108.800 -0.031 0.000 2.175 57 G HA2 -0.281 3.701 3.960 0.037 0.000 0.265 57 G HA3 -0.281 3.701 3.960 0.037 0.000 0.265 57 G C 0.512 175.370 174.900 -0.069 0.000 0.979 57 G CA -0.168 44.904 45.100 -0.047 0.000 0.663 57 G HN 0.573 nan 8.290 nan 0.000 0.533 58 R N -0.303 120.141 120.500 -0.093 0.000 2.583 58 R HA 0.201 4.564 4.340 0.037 0.000 0.329 58 R C 0.334 176.417 176.300 -0.361 0.000 1.166 58 R CA -0.508 55.491 56.100 -0.168 0.000 1.264 58 R CB 0.361 30.625 30.300 -0.059 0.000 1.324 58 R HN 0.234 nan 8.270 nan 0.000 0.684 59 R N -0.038 120.253 120.500 -0.349 0.000 2.528 59 R HA 0.249 4.612 4.340 0.037 0.000 0.271 59 R C 0.559 176.502 176.300 -0.595 0.000 1.056 59 R CA -0.320 55.529 56.100 -0.418 0.000 1.117 59 R CB 0.508 30.680 30.300 -0.214 0.000 1.085 59 R HN 0.124 nan 8.270 nan 0.000 0.530 60 Y N -0.407 119.757 120.300 -0.226 0.000 2.457 60 Y HA 0.187 4.759 4.550 0.036 0.000 0.263 60 Y C -0.200 175.227 175.900 -0.789 0.000 1.164 60 Y CA 0.089 57.929 58.100 -0.433 0.000 1.274 60 Y CB 0.227 38.427 38.460 -0.433 0.000 1.097 60 Y HN 0.391 nan 8.280 nan 0.000 0.523 61 Y N -0.963 119.273 120.300 -0.106 0.000 2.512 61 Y HA 0.608 5.182 4.550 0.040 0.000 0.348 61 Y C 0.800 176.650 175.900 -0.084 0.000 0.990 61 Y CA -1.914 56.134 58.100 -0.087 0.000 1.033 61 Y CB 1.099 39.478 38.460 -0.134 0.000 1.259 61 Y HN -0.089 nan 8.280 nan 0.000 0.461 62 G N -0.028 108.827 108.800 0.091 0.000 2.653 62 G HA2 0.392 4.374 3.960 0.037 0.000 0.265 62 G HA3 0.392 4.374 3.960 0.037 0.000 0.265 62 G C 0.860 175.775 174.900 0.026 0.000 1.237 62 G CA -0.059 45.057 45.100 0.028 0.000 0.946 62 G HN 1.479 nan 8.290 nan 0.000 0.522 63 G N -2.482 106.309 108.800 -0.016 0.000 2.148 63 G HA2 -0.297 3.685 3.960 0.037 0.000 0.254 63 G HA3 -0.297 3.685 3.960 0.037 0.000 0.254 63 G C 0.898 175.764 174.900 -0.056 0.000 0.981 63 G CA 0.641 45.727 45.100 -0.023 0.000 0.670 63 G HN 0.968 nan 8.290 nan 0.000 0.528 64 C N 0.473 119.723 119.300 -0.084 0.000 2.625 64 C HA 0.366 4.848 4.460 0.037 0.000 0.285 64 C C 2.217 177.106 174.990 -0.168 0.000 1.279 64 C CA 0.352 59.316 59.018 -0.090 0.000 1.698 64 C CB -0.625 27.072 27.740 -0.072 0.000 1.821 64 C HN 0.622 nan 8.230 nan 0.000 0.600 65 E N 0.783 120.780 120.200 -0.338 0.000 2.118 65 E HA -0.192 4.181 4.350 0.037 0.000 0.195 65 E C 1.223 177.571 176.600 -0.420 0.000 0.992 65 E CA 1.794 57.908 56.400 -0.477 0.000 0.804 65 E CB -0.220 29.012 29.700 -0.781 0.000 0.741 65 E HN 0.801 nan 8.360 nan 0.000 0.458 66 Y N -0.709 119.592 120.300 0.001 0.000 2.301 66 Y HA -0.061 4.511 4.550 0.037 0.000 0.295 66 Y C 2.355 178.256 175.900 0.003 0.000 1.119 66 Y CA 0.458 58.559 58.100 0.002 0.000 1.162 66 Y CB -0.396 38.064 38.460 0.001 0.000 1.046 66 Y HN 0.005 nan 8.280 nan 0.000 0.538 67 V N -1.563 118.416 119.914 0.109 0.000 2.594 67 V HA -0.219 3.923 4.120 0.037 0.000 0.253 67 V C 1.382 177.493 176.094 0.029 0.000 1.069 67 V CA 2.094 64.430 62.300 0.061 0.000 1.082 67 V CB -0.510 31.338 31.823 0.043 0.000 0.680 67 V HN 0.200 nan 8.190 nan 0.000 0.469 68 D N 0.956 121.356 120.400 0.000 0.000 2.117 68 D HA -0.095 4.568 4.640 0.037 0.000 0.197 68 D C 2.054 178.369 176.300 0.024 0.000 0.987 68 D CA 2.010 56.009 54.000 -0.002 0.000 0.829 68 D CB -0.301 40.478 40.800 -0.035 0.000 0.961 68 D HN 0.544 nan 8.370 nan 0.000 0.460 69 I N 0.179 120.772 120.570 0.039 0.000 2.226 69 I HA -0.232 3.960 4.170 0.037 0.000 0.245 69 I C 2.370 178.518 176.117 0.053 0.000 1.100 69 I CA 0.581 61.914 61.300 0.056 0.000 1.374 69 I CB -0.152 37.903 38.000 0.092 0.000 1.057 69 I HN -0.097 nan 8.210 nan 0.000 0.413 70 V N 0.676 120.623 119.914 0.055 0.000 2.261 70 V HA -0.326 3.816 4.120 0.037 0.000 0.246 70 V C 2.494 178.609 176.094 0.034 0.000 1.047 70 V CA 2.306 64.630 62.300 0.040 0.000 1.015 70 V CB -0.655 31.191 31.823 0.038 0.000 0.642 70 V HN 0.488 nan 8.190 nan 0.000 0.446 71 E N -0.090 120.132 120.200 0.038 0.000 2.077 71 E HA -0.299 4.074 4.350 0.037 0.000 0.193 71 E C 2.173 178.812 176.600 0.065 0.000 0.989 71 E CA 1.598 58.027 56.400 0.049 0.000 0.800 71 E CB -0.067 29.663 29.700 0.050 0.000 0.746 71 E HN 0.588 nan 8.360 nan 0.000 0.452 72 E N 0.412 120.647 120.200 0.058 0.000 2.110 72 E HA -0.138 4.235 4.350 0.037 0.000 0.193 72 E C 2.030 178.667 176.600 0.061 0.000 0.988 72 E CA 0.860 57.295 56.400 0.057 0.000 0.804 72 E CB -0.180 29.547 29.700 0.046 0.000 0.745 72 E HN 0.318 nan 8.360 nan 0.000 0.458 73 L N -0.271 120.987 121.223 0.057 0.000 2.012 73 L HA -0.233 4.130 4.340 0.037 0.000 0.210 73 L C 2.469 179.400 176.870 0.102 0.000 1.073 73 L CA 1.331 56.208 54.840 0.062 0.000 0.748 73 L CB -0.641 41.444 42.059 0.044 0.000 0.891 73 L HN 0.216 nan 8.230 nan 0.000 0.431 74 A N 0.072 122.957 122.820 0.108 0.000 1.883 74 A HA -0.225 4.117 4.320 0.037 0.000 0.217 74 A C 2.376 180.134 177.584 0.291 0.000 1.186 74 A CA 1.699 53.867 52.037 0.218 0.000 0.624 74 A CB -0.513 18.551 19.000 0.108 0.000 0.822 74 A HN 0.345 nan 8.150 nan 0.000 0.444 75 R N -0.707 119.884 120.500 0.151 0.000 2.073 75 R HA -0.092 4.271 4.340 0.037 0.000 0.234 75 R C 2.048 178.375 176.300 0.044 0.000 1.134 75 R CA 1.305 57.450 56.100 0.076 0.000 0.952 75 R CB -0.342 29.971 30.300 0.021 0.000 0.850 75 R HN 0.481 nan 8.270 nan 0.000 0.433 76 E N 0.726 120.958 120.200 0.053 0.000 2.106 76 E HA -0.136 4.236 4.350 0.037 0.000 0.192 76 E C 2.039 178.652 176.600 0.021 0.000 0.984 76 E CA 1.080 57.498 56.400 0.031 0.000 0.806 76 E CB -0.076 29.644 29.700 0.032 0.000 0.750 76 E HN 0.306 nan 8.360 nan 0.000 0.458 77 R N 0.489 121.027 120.500 0.062 0.000 2.092 77 R HA 0.006 4.369 4.340 0.037 0.000 0.231 77 R C 2.351 178.602 176.300 -0.083 0.000 1.119 77 R CA 1.092 57.218 56.100 0.044 0.000 0.970 77 R CB -0.285 30.111 30.300 0.160 0.000 0.864 77 R HN 0.093 nan 8.270 nan 0.000 0.440 78 A N 1.581 124.325 122.820 -0.128 0.000 1.902 78 A HA -0.197 4.146 4.320 0.037 0.000 0.217 78 A C 1.856 179.375 177.584 -0.108 0.000 1.181 78 A CA 1.403 53.241 52.037 -0.331 0.000 0.623 78 A CB -0.246 18.552 19.000 -0.337 0.000 0.818 78 A HN 0.196 nan 8.150 nan 0.000 0.443 79 K N -0.616 119.749 120.400 -0.058 0.000 2.057 79 K HA -0.156 4.187 4.320 0.037 0.000 0.206 79 K C 2.332 178.904 176.600 -0.047 0.000 1.050 79 K CA 1.492 57.765 56.287 -0.023 0.000 0.935 79 K CB -0.217 32.275 32.500 -0.013 0.000 0.715 79 K HN 0.612 nan 8.250 nan 0.000 0.439 80 Q N 0.777 120.533 119.800 -0.074 0.000 2.061 80 Q HA -0.151 4.211 4.340 0.037 0.000 0.204 80 Q C 2.248 178.145 176.000 -0.172 0.000 0.984 80 Q CA 1.321 57.068 55.803 -0.093 0.000 0.846 80 Q CB -0.173 28.518 28.738 -0.080 0.000 0.902 80 Q HN 0.298 nan 8.270 nan 0.000 0.421 81 L N -1.044 119.991 121.223 -0.312 0.000 2.046 81 L HA -0.164 4.198 4.340 0.037 0.000 0.208 81 L C 1.508 177.966 176.870 -0.686 0.000 1.077 81 L CA 1.143 55.614 54.840 -0.615 0.000 0.747 81 L CB -0.029 41.398 42.059 -1.053 0.000 0.896 81 L HN 0.201 nan 8.230 nan 0.000 0.432 82 F N -1.471 118.410 119.950 -0.115 0.000 2.728 82 F HA 0.331 4.879 4.527 0.035 0.000 0.314 82 F C 1.609 177.370 175.800 -0.065 0.000 1.094 82 F CA 0.259 58.205 58.000 -0.089 0.000 1.217 82 F CB 0.073 38.999 39.000 -0.124 0.000 1.056 82 F HN 0.034 nan 8.300 nan 0.000 0.577 83 G N 1.319 110.158 108.800 0.064 0.000 2.198 83 G HA2 -0.113 3.869 3.960 0.037 0.000 0.260 83 G HA3 -0.113 3.869 3.960 0.037 0.000 0.260 83 G C 0.313 175.232 174.900 0.031 0.000 1.025 83 G CA 0.088 45.206 45.100 0.030 0.000 0.769 83 G HN 0.652 nan 8.290 nan 0.000 0.507 84 A N -0.742 122.107 122.820 0.048 0.000 2.322 84 A HA 0.741 5.084 4.320 0.037 0.000 0.269 84 A C 1.093 178.694 177.584 0.028 0.000 1.094 84 A CA 0.536 52.590 52.037 0.028 0.000 0.807 84 A CB 0.528 19.542 19.000 0.023 0.000 1.047 84 A HN 0.407 nan 8.150 nan 0.000 0.487 85 E N -0.707 119.516 120.200 0.037 0.000 2.208 85 E HA -0.049 4.324 4.350 0.037 0.000 0.193 85 E C -0.196 176.476 176.600 0.121 0.000 0.988 85 E CA 1.025 57.456 56.400 0.052 0.000 0.828 85 E CB 0.060 29.778 29.700 0.030 0.000 0.763 85 E HN 0.728 nan 8.360 nan 0.000 0.478 86 H N -1.190 117.883 119.070 0.006 0.000 2.974 86 H HA 0.541 5.121 4.556 0.039 0.000 0.366 86 H C -1.773 173.569 175.328 0.023 0.000 1.155 86 H CA -0.541 55.514 56.048 0.013 0.000 1.186 86 H CB 1.607 31.379 29.762 0.016 0.000 1.799 86 H HN -0.017 nan 8.280 nan 0.000 0.541 87 A N 3.925 126.384 122.820 -0.601 0.000 2.386 87 A HA 0.486 4.829 4.320 0.037 0.000 0.311 87 A C -1.092 176.189 177.584 -0.505 0.000 1.068 87 A CA -0.843 50.964 52.037 -0.383 0.000 0.743 87 A CB 1.261 20.166 19.000 -0.159 0.000 1.258 87 A HN 0.710 nan 8.150 nan 0.000 0.429 88 N N 1.837 120.434 118.700 -0.171 0.000 2.442 88 N HA 0.320 5.083 4.740 0.037 0.000 0.274 88 N C -0.057 175.494 175.510 0.068 0.000 1.002 88 N CA -0.172 52.878 53.050 -0.001 0.000 0.910 88 N CB 1.946 40.498 38.487 0.109 0.000 1.244 88 N HN 0.707 nan 8.380 nan 0.000 0.492 89 V N 1.270 121.249 119.914 0.108 0.000 3.483 89 V HA 0.235 4.378 4.120 0.037 0.000 0.301 89 V C 1.272 177.418 176.094 0.087 0.000 1.389 89 V CA 0.263 62.639 62.300 0.127 0.000 1.101 89 V CB -0.011 31.915 31.823 0.170 0.000 0.971 89 V HN 0.535 nan 8.190 nan 0.000 0.434 90 Q N 0.714 120.565 119.800 0.084 0.000 2.389 90 Q HA 0.164 4.527 4.340 0.037 0.000 0.204 90 Q C -1.579 174.378 176.000 -0.072 0.000 0.944 90 Q CA -0.379 55.431 55.803 0.012 0.000 0.908 90 Q CB -0.817 27.925 28.738 0.007 0.000 1.002 90 Q HN 0.560 nan 8.270 nan 0.000 0.493 91 P HA -0.099 nan 4.420 nan 0.000 0.264 91 P C -0.090 177.186 177.300 -0.040 0.000 1.193 91 P CA 0.540 63.587 63.100 -0.088 0.000 0.763 91 P CB 0.425 32.115 31.700 -0.017 0.000 0.810 92 H N 0.458 119.535 119.070 0.012 0.000 2.521 92 H HA 0.011 4.590 4.556 0.037 0.000 0.286 92 H C 0.918 176.249 175.328 0.006 0.000 1.034 92 H CA 1.113 57.158 56.048 -0.004 0.000 1.278 92 H CB 0.035 29.791 29.762 -0.010 0.000 1.386 92 H HN 0.498 nan 8.280 nan 0.000 0.567 93 S N -2.892 112.887 115.700 0.131 0.000 2.615 93 S HA 0.393 4.886 4.470 0.037 0.000 0.268 93 S C 1.270 175.924 174.600 0.091 0.000 1.146 93 S CA -0.399 57.875 58.200 0.123 0.000 0.818 93 S CB 1.141 64.410 63.200 0.114 0.000 1.111 93 S HN 0.098 nan 8.310 nan 0.000 0.465 94 G N 0.791 109.649 108.800 0.096 0.000 2.442 94 G HA2 0.064 4.046 3.960 0.037 0.000 0.219 94 G HA3 0.064 4.046 3.960 0.037 0.000 0.219 94 G C 1.497 176.413 174.900 0.027 0.000 1.141 94 G CA 1.194 46.303 45.100 0.015 0.000 0.763 94 G HN 1.369 nan 8.290 nan 0.000 0.554 95 A N 0.214 123.085 122.820 0.085 0.000 1.883 95 A HA -0.116 4.226 4.320 0.037 0.000 0.217 95 A C 2.377 180.017 177.584 0.093 0.000 1.186 95 A CA 2.216 54.345 52.037 0.153 0.000 0.624 95 A CB -0.439 18.676 19.000 0.192 0.000 0.822 95 A HN 0.345 nan 8.150 nan 0.000 0.444 96 Q N -0.509 119.310 119.800 0.032 0.000 2.167 96 Q HA 0.087 4.450 4.340 0.037 0.000 0.202 96 Q C 2.251 178.224 176.000 -0.045 0.000 0.970 96 Q CA 1.525 57.308 55.803 -0.033 0.000 0.855 96 Q CB -0.633 28.090 28.738 -0.025 0.000 0.911 96 Q HN 0.658 nan 8.270 nan 0.000 0.438 97 A N 0.738 123.542 122.820 -0.027 0.000 1.877 97 A HA -0.227 4.116 4.320 0.037 0.000 0.216 97 A C 1.802 179.321 177.584 -0.108 0.000 1.186 97 A CA 1.720 53.727 52.037 -0.050 0.000 0.620 97 A CB -0.599 18.379 19.000 -0.037 0.000 0.822 97 A HN 0.340 nan 8.150 nan 0.000 0.443 98 N N -0.509 118.121 118.700 -0.117 0.000 2.084 98 N HA -0.176 4.587 4.740 0.037 0.000 0.190 98 N C 1.731 177.008 175.510 -0.389 0.000 1.030 98 N CA 1.740 54.606 53.050 -0.307 0.000 0.849 98 N CB -0.552 37.848 38.487 -0.145 0.000 1.012 98 N HN 0.622 nan 8.380 nan 0.000 0.423 99 M N 0.610 120.216 119.600 0.010 0.000 2.082 99 M HA -0.211 4.292 4.480 0.037 0.000 0.258 99 M C 1.834 178.178 176.300 0.072 0.000 1.069 99 M CA 1.929 57.297 55.300 0.113 0.000 1.102 99 M CB -0.054 32.398 32.600 -0.247 0.000 1.336 99 M HN 0.209 nan 8.290 nan 0.000 0.404 100 A N -0.735 122.065 122.820 -0.034 0.000 1.898 100 A HA -0.095 4.247 4.320 0.037 0.000 0.216 100 A C 2.008 179.580 177.584 -0.020 0.000 1.181 100 A CA 1.737 53.781 52.037 0.010 0.000 0.620 100 A CB -1.005 17.987 19.000 -0.013 0.000 0.819 100 A HN 0.432 nan 8.150 nan 0.000 0.442 101 V N -0.982 118.811 119.914 -0.200 0.000 2.295 101 V HA -0.264 3.879 4.120 0.037 0.000 0.246 101 V C 2.428 178.344 176.094 -0.296 0.000 1.049 101 V CA 1.854 63.898 62.300 -0.426 0.000 1.024 101 V CB -1.154 30.338 31.823 -0.552 0.000 0.648 101 V HN 0.627 nan 8.190 nan 0.000 0.447 102 Y N -0.770 119.460 120.300 -0.117 0.000 2.165 102 Y HA -0.225 4.348 4.550 0.039 0.000 0.286 102 Y C 2.299 178.189 175.900 -0.016 0.000 1.155 102 Y CA 1.050 59.066 58.100 -0.140 0.000 1.164 102 Y CB -1.252 37.253 38.460 0.075 0.000 0.978 102 Y HN 0.280 nan 8.280 nan 0.000 0.513 103 F N 0.598 120.643 119.950 0.158 0.000 2.216 103 F HA -0.197 4.353 4.527 0.039 0.000 0.300 103 F C 2.186 177.988 175.800 0.004 0.000 1.085 103 F CA 1.823 59.897 58.000 0.123 0.000 1.326 103 F CB -0.441 38.613 39.000 0.089 0.000 1.027 103 F HN -0.050 nan 8.300 nan 0.000 0.497 104 T N -0.678 113.850 114.554 -0.044 0.000 2.770 104 T HA -0.113 4.260 4.350 0.037 0.000 0.263 104 T C 1.967 176.515 174.700 -0.254 0.000 1.039 104 T CA 1.931 63.931 62.100 -0.167 0.000 1.142 104 T CB -0.439 68.281 68.868 -0.247 0.000 0.868 104 T HN 0.260 nan 8.240 nan 0.000 0.435 105 V N -1.744 117.963 119.914 -0.346 0.000 3.645 105 V HA 0.494 4.637 4.120 0.037 0.000 0.275 105 V C 0.270 176.234 176.094 -0.217 0.000 1.356 105 V CA -0.129 61.944 62.300 -0.378 0.000 1.051 105 V CB -0.372 30.994 31.823 -0.762 0.000 0.828 105 V HN 0.227 nan 8.190 nan 0.000 0.441 106 L N 0.953 122.060 121.223 -0.194 0.000 2.342 106 L HA 0.708 5.070 4.340 0.037 0.000 0.271 106 L C -0.090 176.793 176.870 0.023 0.000 1.008 106 L CA -0.569 54.189 54.840 -0.136 0.000 0.818 106 L CB 1.837 43.646 42.059 -0.417 0.000 1.296 106 L HN 0.049 nan 8.230 nan 0.000 0.427 107 E N 0.318 120.568 120.200 0.083 0.000 2.227 107 E HA 0.164 4.536 4.350 0.037 0.000 0.268 107 E C -0.597 176.172 176.600 0.282 0.000 0.990 107 E CA -0.648 55.840 56.400 0.147 0.000 0.856 107 E CB 1.226 30.974 29.700 0.080 0.000 1.159 107 E HN 0.457 nan 8.360 nan 0.000 0.401 108 H N 0.410 119.562 119.070 0.136 0.000 3.167 108 H HA -0.110 4.468 4.556 0.037 0.000 0.306 108 H C 0.946 176.310 175.328 0.060 0.000 0.965 108 H CA 1.929 57.999 56.048 0.036 0.000 1.408 108 H CB 0.185 29.941 29.762 -0.010 0.000 1.406 108 H HN 0.789 nan 8.280 nan 0.000 0.576 109 G N 4.447 112.975 108.800 -0.453 0.000 2.217 109 G HA2 -0.259 3.724 3.960 0.037 0.000 0.246 109 G HA3 -0.259 3.724 3.960 0.037 0.000 0.246 109 G C 0.106 174.961 174.900 -0.076 0.000 0.990 109 G CA 0.250 45.163 45.100 -0.312 0.000 0.627 109 G HN 0.692 nan 8.290 nan 0.000 0.522 110 D N 1.459 121.878 120.400 0.032 0.000 2.449 110 D HA 0.416 5.078 4.640 0.037 0.000 0.236 110 D C 0.872 177.119 176.300 -0.088 0.000 1.149 110 D CA 0.852 54.844 54.000 -0.014 0.000 0.878 110 D CB 0.646 41.429 40.800 -0.028 0.000 1.198 110 D HN 0.142 nan 8.370 nan 0.000 0.446 111 T N 1.210 115.692 114.554 -0.120 0.000 2.832 111 T HA 0.418 4.790 4.350 0.037 0.000 0.296 111 T C -0.019 174.496 174.700 -0.309 0.000 0.968 111 T CA -0.530 61.461 62.100 -0.182 0.000 1.107 111 T CB 0.771 69.582 68.868 -0.095 0.000 0.916 111 T HN -0.003 nan 8.240 nan 0.000 0.517 112 V N 4.162 123.754 119.914 -0.537 0.000 2.709 112 V HA 0.499 4.641 4.120 0.037 0.000 0.308 112 V C -0.716 175.040 176.094 -0.564 0.000 1.062 112 V CA -1.034 60.821 62.300 -0.741 0.000 0.901 112 V CB 1.975 32.872 31.823 -1.543 0.000 1.003 112 V HN 0.666 nan 8.190 nan 0.000 0.425 113 L N 4.031 125.114 121.223 -0.233 0.000 2.287 113 L HA 0.945 5.308 4.340 0.037 0.000 0.287 113 L C 0.279 177.248 176.870 0.165 0.000 1.022 113 L CA 0.517 55.365 54.840 0.014 0.000 0.814 113 L CB 0.879 43.024 42.059 0.143 0.000 1.217 113 L HN 0.810 nan 8.230 nan 0.000 0.420 114 G N 4.027 112.921 108.800 0.156 0.000 2.730 114 G HA2 0.436 4.419 3.960 0.037 0.000 0.289 114 G HA3 0.436 4.419 3.960 0.037 0.000 0.289 114 G C -1.176 173.385 174.900 -0.564 0.000 1.341 114 G CA -0.964 44.181 45.100 0.074 0.000 0.932 114 G HN 0.642 nan 8.290 nan 0.000 0.481 115 M N 1.690 120.879 119.600 -0.684 0.000 2.219 115 M HA 0.132 4.635 4.480 0.037 0.000 0.353 115 M C 0.639 176.646 176.300 -0.487 0.000 1.304 115 M CA -0.603 54.121 55.300 -0.960 0.000 1.115 115 M CB 0.363 32.751 32.600 -0.353 0.000 1.664 115 M HN 0.594 nan 8.290 nan 0.000 0.459 116 N N 4.403 122.792 118.700 -0.518 0.000 2.217 116 N HA -0.095 4.668 4.740 0.037 0.000 0.268 116 N C 0.683 176.035 175.510 -0.262 0.000 1.290 116 N CA 0.375 53.173 53.050 -0.420 0.000 0.831 116 N CB 0.468 38.509 38.487 -0.743 0.000 1.057 116 N HN 0.776 nan 8.380 nan 0.000 0.481 117 L N 2.525 123.619 121.223 -0.215 0.000 2.083 117 L HA -0.183 4.180 4.340 0.037 0.000 0.209 117 L C 2.117 178.914 176.870 -0.122 0.000 1.083 117 L CA 1.335 56.077 54.840 -0.163 0.000 0.752 117 L CB -0.714 41.234 42.059 -0.186 0.000 0.899 117 L HN 0.610 nan 8.230 nan 0.000 0.433 118 S N -2.522 113.112 115.700 -0.111 0.000 2.607 118 S HA -0.082 4.411 4.470 0.037 0.000 0.224 118 S C 1.347 176.003 174.600 0.094 0.000 0.969 118 S CA 0.210 58.390 58.200 -0.032 0.000 0.927 118 S CB -0.515 62.667 63.200 -0.031 0.000 0.772 118 S HN 0.550 nan 8.310 nan 0.000 0.533 119 H N -0.039 118.933 119.070 -0.163 0.000 2.652 119 H HA 0.361 4.939 4.556 0.037 0.000 0.274 119 H C 1.523 176.820 175.328 -0.052 0.000 1.021 119 H CA 0.039 56.011 56.048 -0.127 0.000 1.187 119 H CB 0.716 30.385 29.762 -0.154 0.000 1.505 119 H HN 0.609 nan 8.280 nan 0.000 0.530 120 G N 0.577 109.405 108.800 0.047 0.000 2.425 120 G HA2 -0.193 3.789 3.960 0.037 0.000 0.177 120 G HA3 -0.193 3.789 3.960 0.037 0.000 0.177 120 G C 0.726 175.636 174.900 0.017 0.000 0.999 120 G CA -0.348 44.775 45.100 0.039 0.000 0.723 120 G HN 0.520 nan 8.290 nan 0.000 0.491 121 G N -0.009 108.784 108.800 -0.012 0.000 2.554 121 G HA2 0.417 4.399 3.960 0.037 0.000 0.238 121 G HA3 0.417 4.399 3.960 0.037 0.000 0.238 121 G C -0.049 174.819 174.900 -0.053 0.000 1.259 121 G CA 0.223 45.342 45.100 0.033 0.000 0.843 121 G HN 0.455 nan 8.290 nan 0.000 0.582 122 H N 1.315 120.194 119.070 -0.319 0.000 2.547 122 H HA 0.098 4.676 4.556 0.037 0.000 0.362 122 H C 1.472 176.536 175.328 -0.440 0.000 1.181 122 H CA -0.728 55.013 56.048 -0.512 0.000 1.376 122 H CB 1.547 30.816 29.762 -0.821 0.000 1.488 122 H HN 0.327 nan 8.280 nan 0.000 0.583 123 L N 3.083 123.738 121.223 -0.946 0.000 2.051 123 L HA -0.230 4.133 4.340 0.037 0.000 0.214 123 L C 2.398 179.049 176.870 -0.366 0.000 1.076 123 L CA 2.557 57.038 54.840 -0.597 0.000 0.758 123 L CB -0.688 41.009 42.059 -0.604 0.000 0.890 123 L HN 0.845 nan 8.230 nan 0.000 0.433 124 T N -4.464 110.001 114.554 -0.147 0.000 3.160 124 T HA -0.043 4.329 4.350 0.037 0.000 0.257 124 T C 0.796 175.540 174.700 0.074 0.000 1.147 124 T CA 0.351 62.465 62.100 0.023 0.000 1.064 124 T CB -0.713 68.348 68.868 0.321 0.000 0.949 124 T HN 0.398 nan 8.240 nan 0.000 0.526 125 H N 0.881 119.849 119.070 -0.170 0.000 2.577 125 H HA 0.531 5.110 4.556 0.037 0.000 0.306 125 H C 1.587 176.326 175.328 -0.982 0.000 1.109 125 H CA -0.900 54.975 56.048 -0.287 0.000 1.063 125 H CB -0.186 29.561 29.762 -0.025 0.000 1.535 125 H HN 0.553 nan 8.280 nan 0.000 0.532 126 G N -0.009 108.018 108.800 -1.288 0.000 2.159 126 G HA2 -0.255 3.727 3.960 0.037 0.000 0.170 126 G HA3 -0.255 3.727 3.960 0.037 0.000 0.170 126 G C 0.405 174.955 174.900 -0.583 0.000 1.007 126 G CA 0.081 44.302 45.100 -1.465 0.000 0.672 126 G HN 0.489 nan 8.290 nan 0.000 0.507 127 S N 1.384 116.822 115.700 -0.435 0.000 2.546 127 S HA 0.377 4.870 4.470 0.037 0.000 0.290 127 S C 0.090 174.563 174.600 -0.211 0.000 1.290 127 S CA 0.064 58.102 58.200 -0.270 0.000 1.069 127 S CB 1.066 64.124 63.200 -0.236 0.000 0.846 127 S HN 0.198 nan 8.310 nan 0.000 0.495 128 P HA -0.027 nan 4.420 nan 0.000 0.230 128 P C 1.038 178.302 177.300 -0.061 0.000 1.158 128 P CA 0.746 63.793 63.100 -0.088 0.000 0.769 128 P CB -0.301 31.364 31.700 -0.058 0.000 0.807 129 V N -4.416 115.460 119.914 -0.063 0.000 3.621 129 V HA 0.259 4.401 4.120 0.037 0.000 0.285 129 V C 0.765 176.845 176.094 -0.023 0.000 1.346 129 V CA -0.336 61.947 62.300 -0.028 0.000 1.104 129 V CB -0.933 30.885 31.823 -0.010 0.000 0.913 129 V HN 0.015 nan 8.190 nan 0.000 0.432 130 N N 0.570 119.228 118.700 -0.070 0.000 2.430 130 N HA 0.229 4.991 4.740 0.037 0.000 0.298 130 N C 1.000 176.478 175.510 -0.054 0.000 1.130 130 N CA -0.127 52.893 53.050 -0.050 0.000 0.894 130 N CB 2.122 40.513 38.487 -0.159 0.000 1.209 130 N HN 0.214 nan 8.380 nan 0.000 0.503 131 F N 2.380 122.344 119.950 0.023 0.000 2.184 131 F HA -0.213 4.337 4.527 0.038 0.000 0.301 131 F C 2.261 178.094 175.800 0.056 0.000 1.076 131 F CA 1.594 59.619 58.000 0.042 0.000 1.295 131 F CB -1.018 38.032 39.000 0.082 0.000 1.026 131 F HN 0.455 nan 8.300 nan 0.000 0.494 132 S N 0.522 115.575 115.700 -1.079 0.000 2.353 132 S HA -0.096 4.396 4.470 0.037 0.000 0.222 132 S C 2.293 176.750 174.600 -0.238 0.000 1.035 132 S CA 1.087 58.872 58.200 -0.693 0.000 1.025 132 S CB -1.726 60.980 63.200 -0.824 0.000 0.902 132 S HN 0.577 nan 8.310 nan 0.000 0.440 133 G N 0.311 108.921 108.800 -0.316 0.000 2.572 133 G HA2 0.117 4.099 3.960 0.037 0.000 0.216 133 G HA3 0.117 4.099 3.960 0.037 0.000 0.216 133 G C 1.298 176.166 174.900 -0.052 0.000 1.133 133 G CA 0.603 45.623 45.100 -0.132 0.000 0.791 133 G HN 0.472 nan 8.290 nan 0.000 0.538 134 V N 0.044 119.916 119.914 -0.070 0.000 2.535 134 V HA -0.076 4.067 4.120 0.037 0.000 0.246 134 V C 2.568 178.628 176.094 -0.057 0.000 1.045 134 V CA 1.983 64.265 62.300 -0.030 0.000 1.058 134 V CB 0.323 32.153 31.823 0.012 0.000 0.689 134 V HN 0.436 nan 8.190 nan 0.000 0.461 135 Q N -0.857 118.852 119.800 -0.151 0.000 2.250 135 Q HA 0.057 4.419 4.340 0.037 0.000 0.200 135 Q C -0.009 175.571 176.000 -0.701 0.000 0.941 135 Q CA 1.012 56.586 55.803 -0.382 0.000 0.872 135 Q CB 0.201 28.619 28.738 -0.534 0.000 0.965 135 Q HN 0.633 nan 8.270 nan 0.000 0.480 136 Y N -0.719 119.577 120.300 -0.006 0.000 2.598 136 Y HA 0.412 4.984 4.550 0.037 0.000 0.340 136 Y C -0.509 175.366 175.900 -0.041 0.000 1.038 136 Y CA -1.891 56.159 58.100 -0.083 0.000 1.100 136 Y CB 0.775 39.144 38.460 -0.153 0.000 1.281 136 Y HN -0.149 nan 8.280 nan 0.000 0.488 137 N N 1.253 119.969 118.700 0.027 0.000 2.719 137 N HA 0.214 4.976 4.740 0.037 0.000 0.243 137 N C -1.741 173.720 175.510 -0.082 0.000 1.104 137 N CA -0.113 52.922 53.050 -0.025 0.000 0.981 137 N CB -0.383 38.062 38.487 -0.068 0.000 1.290 137 N HN 0.398 nan 8.380 nan 0.000 0.513 138 F N 2.294 122.178 119.950 -0.110 0.000 2.427 138 F HA 0.234 4.783 4.527 0.038 0.000 0.352 138 F C 0.775 176.471 175.800 -0.172 0.000 1.100 138 F CA -0.421 57.497 58.000 -0.137 0.000 1.191 138 F CB 0.793 39.712 39.000 -0.135 0.000 1.128 138 F HN 0.122 nan 8.300 nan 0.000 0.533 139 V N 0.709 120.572 119.914 -0.085 0.000 2.919 139 V HA 0.982 5.124 4.120 0.037 0.000 0.316 139 V C -0.543 175.513 176.094 -0.063 0.000 1.077 139 V CA -1.166 61.029 62.300 -0.176 0.000 0.977 139 V CB 1.393 32.915 31.823 -0.503 0.000 1.039 139 V HN 0.888 nan 8.190 nan 0.000 0.441 140 A N 2.156 124.923 122.820 -0.088 0.000 2.386 140 A HA 0.915 5.258 4.320 0.037 0.000 0.311 140 A C -0.966 176.579 177.584 -0.066 0.000 1.068 140 A CA -0.725 51.227 52.037 -0.141 0.000 0.743 140 A CB 1.384 20.256 19.000 -0.213 0.000 1.258 140 A HN 1.498 nan 8.150 nan 0.000 0.429 141 Y N 0.081 120.370 120.300 -0.018 0.000 2.496 141 Y HA 0.842 5.414 4.550 0.037 0.000 0.331 141 Y C 0.463 176.323 175.900 -0.066 0.000 1.140 141 Y CA -0.918 57.168 58.100 -0.023 0.000 1.166 141 Y CB 0.962 39.420 38.460 -0.003 0.000 1.249 141 Y HN 0.781 nan 8.280 nan 0.000 0.479 142 G N 0.248 109.156 108.800 0.179 0.000 2.600 142 G HA2 0.569 4.551 3.960 0.037 0.000 0.303 142 G HA3 0.569 4.551 3.960 0.037 0.000 0.303 142 G C -1.015 174.076 174.900 0.318 0.000 1.253 142 G CA -0.751 44.460 45.100 0.185 0.000 0.974 142 G HN 1.086 nan 8.290 nan 0.000 0.483 143 V N -1.422 118.771 119.914 0.464 0.000 2.904 143 V HA 0.456 4.598 4.120 0.037 0.000 0.305 143 V C 0.336 176.635 176.094 0.341 0.000 1.067 143 V CA -1.082 61.396 62.300 0.296 0.000 1.044 143 V CB 1.670 33.650 31.823 0.262 0.000 1.050 143 V HN 0.708 nan 8.190 nan 0.000 0.475 144 D N 3.466 124.004 120.400 0.231 0.000 2.455 144 D HA 0.137 4.800 4.640 0.037 0.000 0.241 144 D C -1.752 174.640 176.300 0.154 0.000 1.138 144 D CA -1.115 52.980 54.000 0.157 0.000 0.877 144 D CB 1.995 42.835 40.800 0.067 0.000 1.187 144 D HN 0.453 nan 8.370 nan 0.000 0.451 145 P HA -0.052 nan 4.420 nan 0.000 0.226 145 P C 0.625 177.825 177.300 -0.166 0.000 1.153 145 P CA 0.898 63.845 63.100 -0.255 0.000 0.777 145 P CB 0.465 31.796 31.700 -0.615 0.000 0.794 146 E N -0.971 119.096 120.200 -0.223 0.000 2.152 146 E HA -0.054 4.319 4.350 0.037 0.000 0.195 146 E C 1.931 178.210 176.600 -0.535 0.000 0.934 146 E CA 1.340 57.552 56.400 -0.313 0.000 0.869 146 E CB -0.744 28.856 29.700 -0.167 0.000 0.842 146 E HN 0.139 nan 8.360 nan 0.000 0.472 147 T N -2.585 111.777 114.554 -0.319 0.000 3.023 147 T HA -0.065 4.307 4.350 0.037 0.000 0.266 147 T C 0.186 174.784 174.700 -0.170 0.000 1.093 147 T CA 1.022 62.992 62.100 -0.216 0.000 1.129 147 T CB -0.505 68.332 68.868 -0.052 0.000 0.899 147 T HN 0.441 nan 8.240 nan 0.000 0.491 148 H N -0.868 118.256 119.070 0.089 0.000 3.010 148 H HA -0.102 4.476 4.556 0.038 0.000 0.272 148 H C -0.426 175.033 175.328 0.217 0.000 1.151 148 H CA 0.136 56.259 56.048 0.125 0.000 1.159 148 H CB -2.455 27.356 29.762 0.080 0.000 1.295 148 H HN 0.354 nan 8.280 nan 0.000 0.344 149 V N 1.333 121.409 119.914 0.270 0.000 2.567 149 V HA 0.151 4.294 4.120 0.037 0.000 0.289 149 V C 1.327 177.570 176.094 0.248 0.000 1.049 149 V CA -0.572 61.934 62.300 0.342 0.000 0.969 149 V CB 1.441 33.405 31.823 0.235 0.000 0.995 149 V HN 0.206 nan 8.190 nan 0.000 0.471 150 I N 3.497 124.169 120.570 0.171 0.000 2.996 150 I HA -0.086 4.106 4.170 0.037 0.000 0.310 150 I C 0.697 176.654 176.117 -0.266 0.000 1.225 150 I CA 0.665 61.864 61.300 -0.169 0.000 1.442 150 I CB 0.034 37.725 38.000 -0.516 0.000 1.334 150 I HN 0.638 nan 8.210 nan 0.000 0.550 151 D N 6.872 127.176 120.400 -0.160 0.000 2.393 151 D HA 0.050 4.712 4.640 0.037 0.000 0.232 151 D C 0.569 176.713 176.300 -0.259 0.000 1.192 151 D CA -0.043 53.896 54.000 -0.101 0.000 0.882 151 D CB 0.461 41.277 40.800 0.026 0.000 1.038 151 D HN 0.339 nan 8.370 nan 0.000 0.499 152 Y N 1.612 121.839 120.300 -0.122 0.000 2.352 152 Y HA -0.115 4.457 4.550 0.037 0.000 0.292 152 Y C 2.003 177.790 175.900 -0.188 0.000 1.136 152 Y CA 0.643 58.594 58.100 -0.249 0.000 1.227 152 Y CB 0.237 38.542 38.460 -0.259 0.000 0.991 152 Y HN 0.391 nan 8.280 nan 0.000 0.545 153 D N -0.123 120.283 120.400 0.011 0.000 2.144 153 D HA -0.173 4.490 4.640 0.037 0.000 0.200 153 D C 1.582 177.872 176.300 -0.018 0.000 0.978 153 D CA 1.470 55.468 54.000 -0.005 0.000 0.833 153 D CB -0.252 40.555 40.800 0.012 0.000 0.961 153 D HN 0.399 nan 8.370 nan 0.000 0.470 154 D N 0.416 120.806 120.400 -0.018 0.000 2.097 154 D HA -0.121 4.541 4.640 0.037 0.000 0.197 154 D C 2.152 178.451 176.300 -0.002 0.000 0.984 154 D CA 0.604 54.614 54.000 0.016 0.000 0.826 154 D CB 0.099 40.936 40.800 0.062 0.000 0.973 154 D HN -0.102 nan 8.370 nan 0.000 0.460 155 V N 0.590 120.426 119.914 -0.130 0.000 2.282 155 V HA -0.280 3.862 4.120 0.037 0.000 0.249 155 V C 2.635 178.660 176.094 -0.115 0.000 1.057 155 V CA 2.230 64.380 62.300 -0.249 0.000 1.032 155 V CB -0.645 30.758 31.823 -0.700 0.000 0.645 155 V HN 0.239 nan 8.190 nan 0.000 0.447 156 R N -0.131 120.307 120.500 -0.103 0.000 2.073 156 R HA -0.214 4.149 4.340 0.037 0.000 0.234 156 R C 2.445 178.735 176.300 -0.015 0.000 1.134 156 R CA 2.076 58.144 56.100 -0.053 0.000 0.952 156 R CB -0.306 29.965 30.300 -0.048 0.000 0.850 156 R HN 0.683 nan 8.270 nan 0.000 0.433 157 E N 0.184 120.381 120.200 -0.005 0.000 2.051 157 E HA -0.203 4.170 4.350 0.037 0.000 0.192 157 E C 1.630 178.241 176.600 0.018 0.000 0.991 157 E CA 1.156 57.557 56.400 0.002 0.000 0.799 157 E CB 0.180 29.885 29.700 0.008 0.000 0.748 157 E HN 0.150 nan 8.360 nan 0.000 0.449 158 K N 0.285 120.729 120.400 0.074 0.000 2.063 158 K HA -0.151 4.192 4.320 0.037 0.000 0.208 158 K C 2.072 178.777 176.600 0.175 0.000 1.048 158 K CA 1.196 57.593 56.287 0.184 0.000 0.928 158 K CB -0.545 32.101 32.500 0.242 0.000 0.713 158 K HN 0.206 nan 8.250 nan 0.000 0.442 159 A N 1.555 124.436 122.820 0.102 0.000 1.902 159 A HA -0.162 4.180 4.320 0.037 0.000 0.217 159 A C 2.250 179.858 177.584 0.041 0.000 1.181 159 A CA 1.386 53.470 52.037 0.078 0.000 0.623 159 A CB -0.365 18.665 19.000 0.049 0.000 0.818 159 A HN 0.266 nan 8.150 nan 0.000 0.443 160 R N -1.257 119.249 120.500 0.010 0.000 2.090 160 R HA -0.031 4.331 4.340 0.037 0.000 0.228 160 R C 2.113 178.385 176.300 -0.046 0.000 1.110 160 R CA 1.261 57.353 56.100 -0.015 0.000 0.973 160 R CB -0.443 29.845 30.300 -0.020 0.000 0.869 160 R HN 0.502 nan 8.270 nan 0.000 0.440 161 L N 0.107 121.273 121.223 -0.094 0.000 2.023 161 L HA -0.119 4.243 4.340 0.037 0.000 0.205 161 L C 1.798 178.521 176.870 -0.246 0.000 1.073 161 L CA 1.906 56.614 54.840 -0.221 0.000 0.745 161 L CB -0.351 41.479 42.059 -0.381 0.000 0.900 161 L HN 0.190 nan 8.230 nan 0.000 0.435 162 H N 0.175 119.244 119.070 -0.000 0.000 2.563 162 H HA 0.233 4.812 4.556 0.038 0.000 0.264 162 H C 0.035 175.353 175.328 -0.017 0.000 0.957 162 H CA 0.144 56.187 56.048 -0.008 0.000 1.173 162 H CB 0.216 29.973 29.762 -0.008 0.000 1.420 162 H HN 0.192 nan 8.280 nan 0.000 0.551 163 R N 0.482 121.028 120.500 0.077 0.000 3.188 163 R HA -0.104 4.259 4.340 0.037 0.000 0.247 163 R C -2.582 173.734 176.300 0.026 0.000 0.918 163 R CA 0.026 56.148 56.100 0.036 0.000 0.629 163 R CB -2.357 27.952 30.300 0.015 0.000 1.087 163 R HN 0.439 nan 8.270 nan 0.000 0.462 164 P HA 0.051 nan 4.420 nan 0.000 0.271 164 P C 0.655 177.943 177.300 -0.021 0.000 1.218 164 P CA -0.195 62.891 63.100 -0.024 0.000 0.780 164 P CB 0.834 32.517 31.700 -0.029 0.000 0.901 165 K N 0.887 121.261 120.400 -0.044 0.000 2.296 165 K HA -0.012 4.330 4.320 0.037 0.000 0.200 165 K C 0.278 176.913 176.600 0.058 0.000 1.048 165 K CA 0.569 56.857 56.287 0.001 0.000 0.966 165 K CB 0.002 32.497 32.500 -0.007 0.000 0.754 165 K HN 0.329 nan 8.250 nan 0.000 0.466 166 L N 0.881 122.095 121.223 -0.015 0.000 2.455 166 L HA 0.447 4.810 4.340 0.037 0.000 0.264 166 L C -1.564 175.310 176.870 0.006 0.000 0.968 166 L CA -0.581 54.276 54.840 0.028 0.000 0.827 166 L CB 1.906 43.926 42.059 -0.066 0.000 1.317 166 L HN -0.092 nan 8.230 nan 0.000 0.407 167 I N 4.998 125.633 120.570 0.108 0.000 2.404 167 I HA 0.524 4.717 4.170 0.037 0.000 0.293 167 I C -0.761 175.444 176.117 0.146 0.000 0.992 167 I CA -0.972 60.419 61.300 0.152 0.000 1.149 167 I CB 1.965 40.105 38.000 0.233 0.000 1.315 167 I HN 0.268 nan 8.210 nan 0.000 0.446 168 V N 5.513 125.509 119.914 0.136 0.000 2.398 168 V HA 0.725 4.867 4.120 0.037 0.000 0.286 168 V C 0.198 176.278 176.094 -0.023 0.000 1.026 168 V CA -0.433 61.884 62.300 0.028 0.000 0.868 168 V CB 1.453 33.255 31.823 -0.036 0.000 0.982 168 V HN 0.844 nan 8.190 nan 0.000 0.443 169 A N 3.992 126.676 122.820 -0.226 0.000 2.356 169 A HA 1.065 5.408 4.320 0.037 0.000 0.323 169 A C -0.017 177.479 177.584 -0.147 0.000 1.119 169 A CA 0.008 51.790 52.037 -0.426 0.000 0.790 169 A CB 1.629 19.932 19.000 -1.162 0.000 1.273 169 A HN 2.494 nan 8.150 nan 0.000 0.452 170 A N -0.910 121.899 122.820 -0.019 0.000 2.435 170 A HA 0.571 4.913 4.320 0.037 0.000 0.686 170 A C -0.320 177.383 177.584 0.198 0.000 0.140 170 A CA -0.037 52.078 52.037 0.130 0.000 0.030 170 A CB -1.466 17.615 19.000 0.135 0.000 3.972 170 A HN 2.977 nan 8.150 nan 0.000 0.548 171 A N -0.746 122.201 122.820 0.211 0.000 2.612 171 A HA 0.937 5.280 4.320 0.037 0.000 0.293 171 A C 0.575 178.198 177.584 0.066 0.000 1.075 171 A CA 0.719 52.857 52.037 0.168 0.000 0.680 171 A CB 0.583 19.678 19.000 0.158 0.000 1.279 171 A HN 2.449 nan 8.150 nan 0.000 0.411 172 S N -0.527 115.156 115.700 -0.029 0.000 2.511 172 S HA 0.477 4.970 4.470 0.037 0.000 0.214 172 S C 0.744 175.073 174.600 -0.451 0.000 0.997 172 S CA 0.764 58.783 58.200 -0.302 0.000 0.908 172 S CB 0.534 63.758 63.200 0.040 0.000 0.803 172 S HN 2.095 nan 8.310 nan 0.000 0.504 173 A N 0.507 123.230 122.820 -0.162 0.000 3.045 173 A HA 0.539 4.881 4.320 0.037 0.000 0.244 173 A C -0.877 176.732 177.584 0.042 0.000 0.917 173 A CA -0.416 51.560 52.037 -0.102 0.000 1.075 173 A CB 0.015 18.970 19.000 -0.075 0.000 1.202 173 A HN 0.429 nan 8.150 nan 0.000 0.486 174 Y N 1.768 122.023 120.300 -0.075 0.000 2.345 174 Y HA 0.534 5.106 4.550 0.037 0.000 0.331 174 Y C -2.240 173.666 175.900 0.010 0.000 0.959 174 Y CA -2.356 55.745 58.100 0.002 0.000 1.204 174 Y CB 2.191 40.691 38.460 0.066 0.000 1.135 174 Y HN 0.236 nan 8.280 nan 0.000 0.477 175 P HA 0.098 nan 4.420 nan 0.000 0.249 175 P C -0.257 176.835 177.300 -0.346 0.000 1.229 175 P CA 0.571 63.494 63.100 -0.295 0.000 0.788 175 P CB 0.506 32.082 31.700 -0.207 0.000 1.072 176 R N -0.136 119.949 120.500 -0.691 0.000 2.892 176 R HA 0.489 4.852 4.340 0.037 0.000 0.265 176 R C 0.416 176.668 176.300 -0.080 0.000 1.025 176 R CA -1.498 54.367 56.100 -0.392 0.000 0.982 176 R CB 0.783 30.846 30.300 -0.394 0.000 1.185 176 R HN 0.009 nan 8.270 nan 0.000 0.484 177 I N 2.196 122.787 120.570 0.036 0.000 2.710 177 I HA 0.007 4.200 4.170 0.037 0.000 0.286 177 I C 0.579 176.809 176.117 0.187 0.000 1.181 177 I CA 0.480 61.814 61.300 0.056 0.000 1.430 177 I CB 0.321 38.195 38.000 -0.209 0.000 1.367 177 I HN 0.236 nan 8.210 nan 0.000 0.577 178 I N 5.502 126.177 120.570 0.176 0.000 2.353 178 I HA 0.093 4.285 4.170 0.037 0.000 0.293 178 I C 0.175 176.050 176.117 -0.404 0.000 0.992 178 I CA -0.324 60.992 61.300 0.026 0.000 1.268 178 I CB 1.028 38.982 38.000 -0.077 0.000 1.387 178 I HN 0.491 nan 8.210 nan 0.000 0.478 179 D N 6.424 126.778 120.400 -0.077 0.000 2.453 179 D HA 0.135 4.798 4.640 0.037 0.000 0.223 179 D C 0.758 176.993 176.300 -0.109 0.000 1.183 179 D CA -0.020 53.825 54.000 -0.259 0.000 0.933 179 D CB 0.262 40.786 40.800 -0.460 0.000 1.038 179 D HN 0.336 nan 8.370 nan 0.000 0.513 180 F N 1.766 121.712 119.950 -0.006 0.000 2.234 180 F HA -0.108 4.441 4.527 0.037 0.000 0.299 180 F C 2.502 178.079 175.800 -0.372 0.000 1.087 180 F CA 0.558 58.516 58.000 -0.069 0.000 1.340 180 F CB -0.055 38.909 39.000 -0.060 0.000 1.031 180 F HN 0.430 nan 8.300 nan 0.000 0.500 181 A N 0.540 122.977 122.820 -0.638 0.000 1.902 181 A HA -0.202 4.140 4.320 0.037 0.000 0.217 181 A C 2.213 179.684 177.584 -0.188 0.000 1.181 181 A CA 1.609 53.286 52.037 -0.600 0.000 0.623 181 A CB -0.534 18.187 19.000 -0.465 0.000 0.818 181 A HN 0.291 nan 8.150 nan 0.000 0.443 182 K N -1.567 118.704 120.400 -0.215 0.000 2.057 182 K HA -0.067 4.275 4.320 0.037 0.000 0.206 182 K C 1.707 178.243 176.600 -0.107 0.000 1.050 182 K CA 1.386 57.535 56.287 -0.230 0.000 0.935 182 K CB -0.347 31.826 32.500 -0.546 0.000 0.715 182 K HN 0.455 nan 8.250 nan 0.000 0.439 183 F N 1.336 121.297 119.950 0.018 0.000 2.095 183 F HA -0.239 4.311 4.527 0.039 0.000 0.298 183 F C 2.658 178.501 175.800 0.072 0.000 1.104 183 F CA 1.467 59.513 58.000 0.077 0.000 1.232 183 F CB -0.278 38.812 39.000 0.150 0.000 0.987 183 F HN -0.044 nan 8.300 nan 0.000 0.475 184 R N 0.903 121.559 120.500 0.260 0.000 2.081 184 R HA -0.174 4.188 4.340 0.037 0.000 0.235 184 R C 2.053 178.430 176.300 0.128 0.000 1.131 184 R CA 1.859 58.079 56.100 0.200 0.000 0.960 184 R CB -0.841 29.598 30.300 0.231 0.000 0.856 184 R HN 0.429 nan 8.270 nan 0.000 0.436 185 E N -0.261 119.984 120.200 0.075 0.000 2.058 185 E HA -0.200 4.173 4.350 0.037 0.000 0.194 185 E C 1.899 178.514 176.600 0.026 0.000 0.997 185 E CA 1.802 58.223 56.400 0.035 0.000 0.801 185 E CB -0.157 29.538 29.700 -0.009 0.000 0.746 185 E HN 0.434 nan 8.360 nan 0.000 0.450 186 I N 0.792 121.369 120.570 0.012 0.000 2.202 186 I HA -0.247 3.945 4.170 0.037 0.000 0.242 186 I C 2.604 178.749 176.117 0.046 0.000 1.091 186 I CA 0.965 62.266 61.300 0.002 0.000 1.368 186 I CB -0.355 37.611 38.000 -0.056 0.000 1.058 186 I HN 0.165 nan 8.210 nan 0.000 0.410 187 A N 0.673 123.553 122.820 0.099 0.000 1.892 187 A HA -0.293 4.050 4.320 0.037 0.000 0.218 187 A C 1.967 179.602 177.584 0.084 0.000 1.188 187 A CA 2.407 54.517 52.037 0.122 0.000 0.631 187 A CB -0.744 18.377 19.000 0.202 0.000 0.822 187 A HN 0.365 nan 8.150 nan 0.000 0.447 188 D N -0.918 119.532 120.400 0.085 0.000 2.144 188 D HA -0.149 4.514 4.640 0.037 0.000 0.199 188 D C 1.896 178.214 176.300 0.029 0.000 0.984 188 D CA 1.446 55.482 54.000 0.060 0.000 0.834 188 D CB -0.371 40.465 40.800 0.061 0.000 0.955 188 D HN 0.758 nan 8.370 nan 0.000 0.465 189 E N 0.390 120.604 120.200 0.024 0.000 2.110 189 E HA -0.145 4.228 4.350 0.037 0.000 0.193 189 E C 1.737 178.340 176.600 0.005 0.000 0.988 189 E CA 1.190 57.596 56.400 0.010 0.000 0.804 189 E CB 0.271 29.973 29.700 0.003 0.000 0.745 189 E HN 0.233 nan 8.360 nan 0.000 0.458 190 V N -3.170 116.749 119.914 0.009 0.000 3.621 190 V HA 0.420 4.563 4.120 0.037 0.000 0.285 190 V C 1.061 177.149 176.094 -0.010 0.000 1.346 190 V CA 0.390 62.692 62.300 0.003 0.000 1.104 190 V CB -0.031 31.799 31.823 0.012 0.000 0.913 190 V HN 0.276 nan 8.190 nan 0.000 0.432 191 G N 0.496 109.285 108.800 -0.018 0.000 2.273 191 G HA2 -0.040 3.942 3.960 0.037 0.000 0.280 191 G HA3 -0.040 3.942 3.960 0.037 0.000 0.280 191 G C 0.232 175.071 174.900 -0.103 0.000 1.047 191 G CA 0.423 45.488 45.100 -0.059 0.000 0.869 191 G HN 1.674 nan 8.290 nan 0.000 0.502 192 A N -0.598 122.189 122.820 -0.055 0.000 2.303 192 A HA 0.801 5.143 4.320 0.037 0.000 0.317 192 A C 0.086 177.637 177.584 -0.054 0.000 1.149 192 A CA -0.753 51.261 52.037 -0.038 0.000 0.822 192 A CB 0.782 19.811 19.000 0.047 0.000 1.131 192 A HN 0.517 nan 8.150 nan 0.000 0.493 193 Y N 0.203 120.490 120.300 -0.022 0.000 2.457 193 Y HA 0.333 4.906 4.550 0.038 0.000 0.341 193 Y C 0.324 176.346 175.900 0.202 0.000 1.240 193 Y CA 0.463 58.534 58.100 -0.047 0.000 1.437 193 Y CB 0.681 39.107 38.460 -0.057 0.000 1.328 193 Y HN 0.561 nan 8.280 nan 0.000 0.588 194 L N 4.840 126.441 121.223 0.630 0.000 2.305 194 L HA 0.507 4.870 4.340 0.037 0.000 0.284 194 L C -0.851 176.220 176.870 0.334 0.000 1.013 194 L CA -0.793 54.279 54.840 0.387 0.000 0.819 194 L CB 1.114 43.350 42.059 0.296 0.000 1.227 194 L HN 0.720 nan 8.230 nan 0.000 0.417 195 M N 5.687 125.419 119.600 0.220 0.000 2.294 195 M HA 0.601 5.104 4.480 0.037 0.000 0.335 195 M C -1.680 174.624 176.300 0.006 0.000 1.079 195 M CA -0.630 54.760 55.300 0.149 0.000 0.982 195 M CB 1.546 34.214 32.600 0.113 0.000 1.651 195 M HN 0.422 nan 8.290 nan 0.000 0.437 196 V N 4.302 124.180 119.914 -0.061 0.000 2.384 196 V HA 0.272 4.415 4.120 0.037 0.000 0.287 196 V C -0.656 175.361 176.094 -0.128 0.000 1.020 196 V CA -0.605 61.600 62.300 -0.159 0.000 0.850 196 V CB 1.539 33.132 31.823 -0.384 0.000 0.987 196 V HN 0.764 nan 8.190 nan 0.000 0.436 197 D N 5.777 126.130 120.400 -0.078 0.000 2.456 197 D HA 0.250 4.913 4.640 0.037 0.000 0.219 197 D C 0.757 177.052 176.300 -0.009 0.000 1.126 197 D CA -0.471 53.514 54.000 -0.025 0.000 0.890 197 D CB 1.169 42.029 40.800 0.101 0.000 1.025 197 D HN 0.608 nan 8.370 nan 0.000 0.511 198 M N 1.759 121.309 119.600 -0.084 0.000 2.530 198 M HA 0.370 4.873 4.480 0.037 0.000 0.231 198 M C 1.339 177.596 176.300 -0.071 0.000 1.180 198 M CA -0.385 54.869 55.300 -0.077 0.000 0.985 198 M CB 0.684 33.184 32.600 -0.168 0.000 1.623 198 M HN 0.138 nan 8.290 nan 0.000 0.475 199 A N 1.202 123.984 122.820 -0.064 0.000 1.896 199 A HA -0.241 4.102 4.320 0.037 0.000 0.220 199 A C 2.112 179.630 177.584 -0.110 0.000 1.206 199 A CA 2.113 54.081 52.037 -0.115 0.000 0.647 199 A CB -1.400 17.510 19.000 -0.150 0.000 0.828 199 A HN 0.759 nan 8.150 nan 0.000 0.455 200 H N -0.484 118.543 119.070 -0.072 0.000 2.423 200 H HA -0.044 4.536 4.556 0.040 0.000 0.297 200 H C 1.798 176.994 175.328 -0.221 0.000 1.075 200 H CA 1.783 57.803 56.048 -0.048 0.000 1.342 200 H CB 0.002 29.855 29.762 0.151 0.000 1.395 200 H HN 0.721 nan 8.280 nan 0.000 0.530 201 I N -2.858 117.688 120.570 -0.040 0.000 3.976 201 I HA 0.352 4.544 4.170 0.037 0.000 0.337 201 I C 2.126 178.218 176.117 -0.042 0.000 1.359 201 I CA 0.148 61.382 61.300 -0.109 0.000 1.098 201 I CB 0.256 38.168 38.000 -0.147 0.000 1.027 201 I HN -0.090 nan 8.210 nan 0.000 0.394 202 A N 2.152 124.956 122.820 -0.027 0.000 1.933 202 A HA -0.019 4.323 4.320 0.037 0.000 0.218 202 A C 2.335 180.084 177.584 0.274 0.000 1.175 202 A CA 1.919 53.999 52.037 0.072 0.000 0.628 202 A CB -1.322 17.665 19.000 -0.022 0.000 0.814 202 A HN 0.532 nan 8.150 nan 0.000 0.444 203 G N -0.152 108.789 108.800 0.234 0.000 2.422 203 G HA2 -0.140 3.842 3.960 0.037 0.000 0.218 203 G HA3 -0.140 3.842 3.960 0.037 0.000 0.218 203 G C 1.532 176.645 174.900 0.355 0.000 1.146 203 G CA 1.003 46.356 45.100 0.422 0.000 0.769 203 G HN 0.444 nan 8.290 nan 0.000 0.547 204 L N 0.238 121.570 121.223 0.181 0.000 2.017 204 L HA -0.082 4.281 4.340 0.037 0.000 0.208 204 L C 2.975 179.988 176.870 0.238 0.000 1.073 204 L CA 0.508 55.446 54.840 0.163 0.000 0.745 204 L CB -0.781 41.361 42.059 0.138 0.000 0.894 204 L HN 0.069 nan 8.230 nan 0.000 0.432 205 V N 0.564 120.645 119.914 0.278 0.000 2.287 205 V HA -0.328 3.814 4.120 0.037 0.000 0.248 205 V C 2.829 179.104 176.094 0.302 0.000 1.053 205 V CA 1.979 64.483 62.300 0.341 0.000 1.027 205 V CB -0.923 31.116 31.823 0.360 0.000 0.646 205 V HN 0.503 nan 8.190 nan 0.000 0.447 206 A N -0.368 122.628 122.820 0.293 0.000 1.972 206 A HA -0.035 4.308 4.320 0.037 0.000 0.219 206 A C 2.143 179.772 177.584 0.076 0.000 1.169 206 A CA 1.909 53.927 52.037 -0.032 0.000 0.635 206 A CB -0.496 18.398 19.000 -0.177 0.000 0.810 206 A HN 0.636 nan 8.150 nan 0.000 0.446 207 A N -1.914 121.030 122.820 0.206 0.000 2.308 207 A HA 0.448 4.791 4.320 0.037 0.000 0.217 207 A C 1.611 179.266 177.584 0.118 0.000 1.216 207 A CA 1.004 53.150 52.037 0.180 0.000 0.864 207 A CB -0.843 18.262 19.000 0.175 0.000 0.902 207 A HN 1.853 nan 8.150 nan 0.000 0.499 208 G N -0.740 108.137 108.800 0.128 0.000 2.176 208 G HA2 -0.238 3.744 3.960 0.037 0.000 0.252 208 G HA3 -0.238 3.744 3.960 0.037 0.000 0.252 208 G C 0.530 175.498 174.900 0.114 0.000 1.024 208 G CA 0.572 45.742 45.100 0.116 0.000 0.755 208 G HN 0.540 nan 8.290 nan 0.000 0.507 209 L N -0.663 120.642 121.223 0.138 0.000 2.664 209 L HA 0.359 4.722 4.340 0.037 0.000 0.233 209 L C 0.920 177.891 176.870 0.169 0.000 1.113 209 L CA -0.197 54.714 54.840 0.118 0.000 0.896 209 L CB 0.289 42.398 42.059 0.084 0.000 1.163 209 L HN 0.404 nan 8.230 nan 0.000 0.497 210 H N 0.791 119.939 119.070 0.131 0.000 2.717 210 H HA 0.375 4.953 4.556 0.038 0.000 0.366 210 H C -2.689 172.763 175.328 0.206 0.000 1.132 210 H CA -1.931 54.212 56.048 0.159 0.000 1.180 210 H CB 2.745 32.622 29.762 0.191 0.000 1.678 210 H HN -0.244 nan 8.280 nan 0.000 0.537 211 P HA -0.059 nan 4.420 nan 0.000 0.265 211 P C -0.191 177.469 177.300 0.601 0.000 1.187 211 P CA 0.126 63.403 63.100 0.296 0.000 0.766 211 P CB 0.483 32.274 31.700 0.151 0.000 0.820 212 N N 4.232 123.197 118.700 0.443 0.000 2.430 212 N HA 0.085 4.848 4.740 0.037 0.000 0.265 212 N C -1.470 174.218 175.510 0.297 0.000 1.100 212 N CA -2.198 51.060 53.050 0.348 0.000 0.961 212 N CB 0.424 39.054 38.487 0.239 0.000 1.075 212 N HN 0.223 nan 8.380 nan 0.000 0.478 213 P HA -0.071 nan 4.420 nan 0.000 0.225 213 P C 1.365 178.585 177.300 -0.133 0.000 1.156 213 P CA 0.398 63.223 63.100 -0.459 0.000 0.787 213 P CB 0.508 31.548 31.700 -1.101 0.000 0.802 214 V N 2.008 121.869 119.914 -0.089 0.000 2.282 214 V HA -0.177 3.965 4.120 0.037 0.000 0.249 214 V C -0.220 175.808 176.094 -0.110 0.000 1.057 214 V CA 2.744 64.993 62.300 -0.084 0.000 1.032 214 V CB -2.536 29.270 31.823 -0.029 0.000 0.645 214 V HN 0.201 nan 8.190 nan 0.000 0.447 215 P HA -0.121 nan 4.420 nan 0.000 0.222 215 P C 0.928 177.968 177.300 -0.433 0.000 1.147 215 P CA 1.512 64.406 63.100 -0.342 0.000 0.790 215 P CB -0.079 31.310 31.700 -0.519 0.000 0.780 216 Y N -1.276 118.997 120.300 -0.044 0.000 2.507 216 Y HA 0.423 4.995 4.550 0.037 0.000 0.263 216 Y C 1.352 177.181 175.900 -0.119 0.000 1.093 216 Y CA -0.300 57.778 58.100 -0.037 0.000 1.285 216 Y CB -0.352 38.154 38.460 0.078 0.000 1.115 216 Y HN -0.200 nan 8.280 nan 0.000 0.533 217 A N -0.584 122.222 122.820 -0.022 0.000 2.312 217 A HA 0.381 4.723 4.320 0.037 0.000 0.326 217 A C -0.047 177.422 177.584 -0.192 0.000 1.172 217 A CA -0.442 51.543 52.037 -0.086 0.000 0.821 217 A CB 0.292 19.245 19.000 -0.079 0.000 1.166 217 A HN 0.463 nan 8.150 nan 0.000 0.493 218 H N 1.014 120.032 119.070 -0.085 0.000 2.353 218 H HA 0.059 4.637 4.556 0.037 0.000 0.300 218 H C -0.633 174.220 175.328 -0.791 0.000 1.090 218 H CA 2.225 58.042 56.048 -0.385 0.000 1.327 218 H CB -0.057 29.384 29.762 -0.534 0.000 1.383 218 H HN 0.584 nan 8.280 nan 0.000 0.508 219 F N -0.520 119.445 119.950 0.025 0.000 2.556 219 F HA 0.469 5.018 4.527 0.037 0.000 0.314 219 F C -0.855 174.891 175.800 -0.089 0.000 1.106 219 F CA -1.173 56.794 58.000 -0.056 0.000 0.911 219 F CB 1.888 40.810 39.000 -0.130 0.000 1.190 219 F HN -0.334 nan 8.300 nan 0.000 0.448 220 V N 1.851 121.796 119.914 0.052 0.000 2.444 220 V HA 0.582 4.724 4.120 0.037 0.000 0.294 220 V C -0.211 175.833 176.094 -0.083 0.000 1.022 220 V CA -0.702 61.550 62.300 -0.080 0.000 0.850 220 V CB 1.919 33.629 31.823 -0.189 0.000 0.992 220 V HN 0.891 nan 8.190 nan 0.000 0.426 221 T N 0.886 115.382 114.554 -0.098 0.000 2.945 221 T HA 0.832 5.204 4.350 0.037 0.000 0.286 221 T C -0.304 174.314 174.700 -0.136 0.000 1.025 221 T CA -0.661 61.378 62.100 -0.102 0.000 1.039 221 T CB 2.122 70.936 68.868 -0.089 0.000 1.068 221 T HN 0.720 nan 8.240 nan 0.000 0.497 222 T N 0.539 115.018 114.554 -0.125 0.000 2.830 222 T HA 0.567 4.939 4.350 0.037 0.000 0.322 222 T C -0.644 173.998 174.700 -0.098 0.000 1.501 222 T CA -0.434 61.582 62.100 -0.140 0.000 1.036 222 T CB 1.345 70.085 68.868 -0.214 0.000 1.379 222 T HN 1.178 nan 8.240 nan 0.000 0.493 223 T N 0.263 114.731 114.554 -0.144 0.000 2.882 223 T HA 0.413 4.785 4.350 0.037 0.000 0.287 223 T C 1.572 176.242 174.700 -0.051 0.000 1.014 223 T CA 0.208 62.215 62.100 -0.155 0.000 1.049 223 T CB 0.999 69.522 68.868 -0.574 0.000 1.001 223 T HN 0.770 nan 8.240 nan 0.000 0.525 224 T N -2.125 112.495 114.554 0.110 0.000 3.051 224 T HA 0.034 4.406 4.350 0.037 0.000 0.255 224 T C 1.079 175.882 174.700 0.172 0.000 1.085 224 T CA 0.205 62.423 62.100 0.197 0.000 1.109 224 T CB -0.541 68.454 68.868 0.211 0.000 0.921 224 T HN 0.902 nan 8.240 nan 0.000 0.488 225 H N 1.341 120.423 119.070 0.021 0.000 2.408 225 H HA 0.600 5.181 4.556 0.042 0.000 0.345 225 H C 0.469 175.782 175.328 -0.025 0.000 1.547 225 H CA -0.466 55.579 56.048 -0.004 0.000 1.447 225 H CB 0.567 30.311 29.762 -0.031 0.000 1.686 225 H HN 0.212 nan 8.280 nan 0.000 0.625 226 K N -2.048 118.325 120.400 -0.046 0.000 6.434 226 K HA -0.217 4.126 4.320 0.037 0.000 0.338 226 K C 1.474 178.048 176.600 -0.043 0.000 1.684 226 K CA 1.029 57.224 56.287 -0.154 0.000 0.888 226 K CB -1.860 30.413 32.500 -0.379 0.000 0.989 226 K HN 0.791 nan 8.250 nan 0.000 0.457 227 T N 0.103 114.603 114.554 -0.090 0.000 2.881 227 T HA -0.101 4.271 4.350 0.037 0.000 0.270 227 T C 1.724 176.586 174.700 0.271 0.000 1.068 227 T CA 1.653 63.770 62.100 0.029 0.000 1.131 227 T CB -0.079 68.698 68.868 -0.151 0.000 0.871 227 T HN 0.333 nan 8.240 nan 0.000 0.479 228 L N 1.120 122.472 121.223 0.215 0.000 2.362 228 L HA 0.295 4.658 4.340 0.037 0.000 0.219 228 L C 1.666 178.691 176.870 0.259 0.000 1.134 228 L CA 1.157 56.165 54.840 0.280 0.000 0.807 228 L CB -1.104 41.079 42.059 0.207 0.000 0.927 228 L HN 0.464 nan 8.230 nan 0.000 0.447 229 R N -1.253 119.382 120.500 0.225 0.000 3.651 229 R HA -0.152 4.211 4.340 0.037 0.000 0.292 229 R C 0.525 176.891 176.300 0.109 0.000 1.161 229 R CA 0.404 56.612 56.100 0.180 0.000 0.787 229 R CB -1.773 28.684 30.300 0.261 0.000 1.249 229 R HN 0.571 nan 8.270 nan 0.000 0.476 230 G N 0.105 108.967 108.800 0.104 0.000 2.671 230 G HA2 0.667 4.649 3.960 0.037 0.000 0.275 230 G HA3 0.667 4.649 3.960 0.037 0.000 0.275 230 G C -2.532 172.395 174.900 0.045 0.000 1.368 230 G CA -0.902 44.224 45.100 0.044 0.000 1.044 230 G HN 0.133 nan 8.290 nan 0.000 0.543 231 P HA 0.190 nan 4.420 nan 0.000 0.274 231 P C -0.606 176.678 177.300 -0.027 0.000 1.246 231 P CA -0.365 62.713 63.100 -0.037 0.000 0.795 231 P CB 0.885 32.537 31.700 -0.080 0.000 1.006 232 R N 0.537 120.936 120.500 -0.168 0.000 2.449 232 R HA 0.549 4.911 4.340 0.037 0.000 0.296 232 R C 0.851 177.082 176.300 -0.115 0.000 1.047 232 R CA 0.283 56.140 56.100 -0.406 0.000 1.018 232 R CB -0.258 29.706 30.300 -0.561 0.000 0.962 232 R HN 0.811 nan 8.270 nan 0.000 0.428 233 G N 0.675 109.537 108.800 0.103 0.000 2.315 233 G HA2 0.406 4.389 3.960 0.037 0.000 0.294 233 G HA3 0.406 4.389 3.960 0.037 0.000 0.294 233 G C -1.319 173.687 174.900 0.177 0.000 1.300 233 G CA -0.418 44.753 45.100 0.119 0.000 0.843 233 G HN 0.700 nan 8.290 nan 0.000 0.527 234 G N -1.363 107.503 108.800 0.110 0.000 2.644 234 G HA2 0.829 4.812 3.960 0.037 0.000 0.307 234 G HA3 0.829 4.812 3.960 0.037 0.000 0.307 234 G C -0.738 174.206 174.900 0.073 0.000 1.250 234 G CA -0.369 44.776 45.100 0.075 0.000 0.996 234 G HN 1.203 nan 8.290 nan 0.000 0.489 235 M N -0.183 119.440 119.600 0.039 0.000 2.471 235 M HA 0.613 5.116 4.480 0.037 0.000 0.284 235 M C -2.113 174.178 176.300 -0.016 0.000 1.203 235 M CA -0.638 54.685 55.300 0.038 0.000 0.915 235 M CB 2.212 34.857 32.600 0.076 0.000 1.734 235 M HN 0.392 nan 8.290 nan 0.000 0.485 236 I N 4.467 125.036 120.570 -0.002 0.000 2.465 236 I HA 0.490 4.682 4.170 0.037 0.000 0.291 236 I C -1.220 174.896 176.117 -0.001 0.000 1.014 236 I CA -0.671 60.631 61.300 0.004 0.000 1.093 236 I CB 1.972 40.005 38.000 0.054 0.000 1.267 236 I HN 0.591 nan 8.210 nan 0.000 0.431 237 L N 6.080 127.292 121.223 -0.017 0.000 2.334 237 L HA 0.814 5.177 4.340 0.037 0.000 0.276 237 L C -0.515 176.400 176.870 0.074 0.000 1.014 237 L CA -0.642 54.192 54.840 -0.010 0.000 0.815 237 L CB 1.845 43.844 42.059 -0.099 0.000 1.268 237 L HN 0.805 nan 8.230 nan 0.000 0.428 238 C N -0.301 119.070 119.300 0.118 0.000 3.306 238 C HA 0.402 4.885 4.460 0.037 0.000 0.335 238 C C -0.701 174.368 174.990 0.131 0.000 1.382 238 C CA -1.116 57.980 59.018 0.130 0.000 1.254 238 C CB 1.551 29.441 27.740 0.249 0.000 1.555 238 C HN 0.899 nan 8.230 nan 0.000 0.463 239 Q N 0.966 120.839 119.800 0.120 0.000 2.395 239 Q HA 0.126 4.488 4.340 0.037 0.000 0.271 239 Q C 1.094 177.095 176.000 0.002 0.000 1.026 239 Q CA 0.088 55.920 55.803 0.048 0.000 0.900 239 Q CB 0.962 29.710 28.738 0.016 0.000 1.266 239 Q HN 0.826 nan 8.270 nan 0.000 0.430 240 E N 1.793 121.960 120.200 -0.055 0.000 2.160 240 E HA -0.260 4.112 4.350 0.037 0.000 0.195 240 E C 1.682 178.170 176.600 -0.186 0.000 0.991 240 E CA 1.269 57.613 56.400 -0.094 0.000 0.810 240 E CB 0.249 29.903 29.700 -0.076 0.000 0.742 240 E HN 0.663 nan 8.360 nan 0.000 0.466 241 Q N -0.599 119.019 119.800 -0.302 0.000 2.248 241 Q HA -0.181 4.182 4.340 0.037 0.000 0.208 241 Q C 1.400 177.088 176.000 -0.521 0.000 0.984 241 Q CA 1.327 56.850 55.803 -0.467 0.000 0.875 241 Q CB -0.565 27.778 28.738 -0.658 0.000 0.910 241 Q HN 0.363 nan 8.270 nan 0.000 0.433 242 F N 0.319 120.248 119.950 -0.035 0.000 2.695 242 F HA 0.457 5.006 4.527 0.037 0.000 0.303 242 F C 2.220 178.011 175.800 -0.015 0.000 1.091 242 F CA -0.178 57.838 58.000 0.026 0.000 1.300 242 F CB -0.262 38.800 39.000 0.103 0.000 1.071 242 F HN 0.067 nan 8.300 nan 0.000 0.578 243 A N 1.003 123.787 122.820 -0.060 0.000 1.873 243 A HA -0.283 4.059 4.320 0.037 0.000 0.218 243 A C 2.376 179.781 177.584 -0.298 0.000 1.193 243 A CA 2.224 54.005 52.037 -0.427 0.000 0.629 243 A CB -0.677 17.820 19.000 -0.839 0.000 0.826 243 A HN 0.358 nan 8.150 nan 0.000 0.447 244 K N -0.894 119.400 120.400 -0.177 0.000 2.026 244 K HA -0.194 4.148 4.320 0.037 0.000 0.208 244 K C 2.299 178.895 176.600 -0.007 0.000 1.048 244 K CA 1.622 57.850 56.287 -0.098 0.000 0.929 244 K CB -0.230 32.234 32.500 -0.059 0.000 0.713 244 K HN 0.584 nan 8.250 nan 0.000 0.439 245 Q N 0.145 119.978 119.800 0.055 0.000 2.079 245 Q HA -0.136 4.227 4.340 0.037 0.000 0.200 245 Q C 2.157 178.228 176.000 0.119 0.000 0.974 245 Q CA 1.083 56.947 55.803 0.103 0.000 0.840 245 Q CB 0.034 28.864 28.738 0.153 0.000 0.898 245 Q HN 0.391 nan 8.270 nan 0.000 0.430 246 I N 1.413 122.070 120.570 0.144 0.000 2.179 246 I HA -0.251 3.941 4.170 0.037 0.000 0.242 246 I C 1.714 177.915 176.117 0.140 0.000 1.088 246 I CA 1.398 62.790 61.300 0.154 0.000 1.357 246 I CB -1.058 37.086 38.000 0.240 0.000 1.051 246 I HN 0.165 nan 8.210 nan 0.000 0.409 247 D N 0.957 121.399 120.400 0.069 0.000 2.104 247 D HA -0.174 4.488 4.640 0.037 0.000 0.194 247 D C 2.171 178.604 176.300 0.221 0.000 0.994 247 D CA 1.098 55.093 54.000 -0.009 0.000 0.830 247 D CB -0.119 40.417 40.800 -0.440 0.000 0.959 247 D HN 0.177 nan 8.370 nan 0.000 0.452 248 K N 0.562 121.061 120.400 0.165 0.000 2.148 248 K HA 0.032 4.375 4.320 0.037 0.000 0.204 248 K C 1.993 178.708 176.600 0.191 0.000 1.050 248 K CA 0.722 57.123 56.287 0.190 0.000 0.942 248 K CB -0.300 32.278 32.500 0.130 0.000 0.724 248 K HN 0.075 nan 8.250 nan 0.000 0.446 249 A N 1.711 124.658 122.820 0.211 0.000 1.902 249 A HA -0.142 4.200 4.320 0.037 0.000 0.217 249 A C 2.160 179.813 177.584 0.116 0.000 1.181 249 A CA 1.106 53.302 52.037 0.266 0.000 0.623 249 A CB -0.354 18.807 19.000 0.269 0.000 0.818 249 A HN 0.086 nan 8.150 nan 0.000 0.443 250 I N -2.572 118.092 120.570 0.157 0.000 2.142 250 I HA -0.023 4.169 4.170 0.037 0.000 0.240 250 I C 0.623 176.860 176.117 0.199 0.000 1.078 250 I CA 1.401 62.788 61.300 0.145 0.000 1.343 250 I CB -0.636 37.490 38.000 0.211 0.000 1.046 250 I HN 0.349 nan 8.210 nan 0.000 0.405 251 F N 2.318 122.360 119.950 0.154 0.000 2.588 251 F HA 0.401 4.952 4.527 0.040 0.000 0.318 251 F C -2.246 173.665 175.800 0.184 0.000 1.155 251 F CA -1.846 56.221 58.000 0.111 0.000 0.967 251 F CB 1.988 41.007 39.000 0.032 0.000 1.236 251 F HN -0.232 nan 8.300 nan 0.000 0.455 252 P HA 0.184 nan 4.420 nan 0.000 0.256 252 P C 0.916 177.975 177.300 -0.402 0.000 1.384 252 P CA 0.488 62.941 63.100 -1.080 0.000 0.879 252 P CB 0.408 31.512 31.700 -0.992 0.000 1.403 253 G N 2.099 110.784 108.800 -0.191 0.000 2.464 253 G HA2 -0.175 3.808 3.960 0.037 0.000 0.214 253 G HA3 -0.175 3.808 3.960 0.037 0.000 0.214 253 G C 1.287 175.903 174.900 -0.473 0.000 1.218 253 G CA 1.013 45.969 45.100 -0.239 0.000 0.794 253 G HN 0.431 nan 8.290 nan 0.000 0.542 254 I N -3.491 116.863 120.570 -0.360 0.000 4.312 254 I HA 0.430 4.622 4.170 0.037 0.000 0.324 254 I C 0.648 176.685 176.117 -0.133 0.000 1.298 254 I CA -0.192 60.907 61.300 -0.336 0.000 1.231 254 I CB 0.525 38.290 38.000 -0.392 0.000 1.152 254 I HN 0.037 nan 8.210 nan 0.000 0.421 255 Q N 1.018 120.802 119.800 -0.027 0.000 2.495 255 Q HA 0.646 5.009 4.340 0.037 0.000 0.283 255 Q C 0.001 176.167 176.000 0.278 0.000 1.097 255 Q CA -0.469 55.385 55.803 0.085 0.000 0.836 255 Q CB 2.251 30.955 28.738 -0.056 0.000 1.426 255 Q HN 0.277 nan 8.270 nan 0.000 0.459 256 G N -0.357 108.631 108.800 0.314 0.000 3.441 256 G HA2 0.446 4.429 3.960 0.037 0.000 0.195 256 G HA3 0.446 4.429 3.960 0.037 0.000 0.195 256 G C -0.185 174.853 174.900 0.230 0.000 1.633 256 G CA -0.177 45.164 45.100 0.402 0.000 0.895 256 G HN 0.584 nan 8.290 nan 0.000 0.654 257 G N 1.750 110.730 108.800 0.300 0.000 2.340 257 G HA2 0.467 4.450 3.960 0.037 0.000 0.245 257 G HA3 0.467 4.450 3.960 0.037 0.000 0.245 257 G C -2.020 172.991 174.900 0.184 0.000 1.294 257 G CA -0.301 44.950 45.100 0.251 0.000 0.896 257 G HN 0.388 nan 8.290 nan 0.000 0.522 258 P HA 0.164 nan 4.420 nan 0.000 0.274 258 P C -0.199 177.187 177.300 0.143 0.000 1.246 258 P CA -0.435 62.720 63.100 0.092 0.000 0.795 258 P CB 1.201 32.871 31.700 -0.051 0.000 1.006 259 L N 2.419 123.722 121.223 0.134 0.000 2.328 259 L HA 0.156 4.519 4.340 0.037 0.000 0.280 259 L C 1.808 178.661 176.870 -0.028 0.000 1.111 259 L CA -0.526 54.336 54.840 0.036 0.000 0.909 259 L CB 0.018 41.999 42.059 -0.131 0.000 1.277 259 L HN 0.217 nan 8.230 nan 0.000 0.433 260 M N 1.334 121.006 119.600 0.119 0.000 2.159 260 M HA -0.150 4.353 4.480 0.037 0.000 0.263 260 M C 2.397 178.744 176.300 0.079 0.000 1.063 260 M CA 1.528 56.878 55.300 0.083 0.000 1.110 260 M CB -1.102 31.555 32.600 0.094 0.000 1.374 260 M HN 0.646 nan 8.290 nan 0.000 0.411 261 H N -0.595 118.470 119.070 -0.008 0.000 2.387 261 H HA 0.010 4.576 4.556 0.017 0.000 0.299 261 H C 2.065 177.377 175.328 -0.028 0.000 1.090 261 H CA 1.538 57.575 56.048 -0.019 0.000 1.332 261 H CB -1.475 28.274 29.762 -0.021 0.000 1.386 261 H HN 0.256 nan 8.280 nan 0.000 0.516 262 V N 1.613 121.221 119.914 -0.510 0.000 2.427 262 V HA -0.168 3.975 4.120 0.037 0.000 0.248 262 V C 2.986 178.971 176.094 -0.182 0.000 1.051 262 V CA 1.412 63.519 62.300 -0.322 0.000 1.048 262 V CB -0.573 31.049 31.823 -0.335 0.000 0.666 262 V HN 0.248 nan 8.190 nan 0.000 0.456 263 I N 0.683 121.170 120.570 -0.138 0.000 2.226 263 I HA -0.245 3.947 4.170 0.037 0.000 0.245 263 I C 2.708 178.759 176.117 -0.110 0.000 1.100 263 I CA 1.422 62.664 61.300 -0.095 0.000 1.374 263 I CB -0.585 37.393 38.000 -0.038 0.000 1.057 263 I HN 0.295 nan 8.210 nan 0.000 0.413 264 A N 0.903 123.680 122.820 -0.072 0.000 1.883 264 A HA -0.243 4.100 4.320 0.037 0.000 0.217 264 A C 2.558 180.076 177.584 -0.110 0.000 1.186 264 A CA 2.136 54.136 52.037 -0.061 0.000 0.624 264 A CB -0.931 18.063 19.000 -0.011 0.000 0.822 264 A HN 0.444 nan 8.150 nan 0.000 0.444 265 A N -0.404 122.345 122.820 -0.119 0.000 1.933 265 A HA -0.172 4.171 4.320 0.037 0.000 0.218 265 A C 2.105 179.540 177.584 -0.248 0.000 1.175 265 A CA 1.849 53.803 52.037 -0.139 0.000 0.628 265 A CB -0.441 18.494 19.000 -0.110 0.000 0.814 265 A HN 0.575 nan 8.150 nan 0.000 0.444 266 K N -0.286 119.912 120.400 -0.337 0.000 2.032 266 K HA -0.105 4.237 4.320 0.037 0.000 0.209 266 K C 2.357 178.337 176.600 -1.033 0.000 1.048 266 K CA 1.199 57.064 56.287 -0.703 0.000 0.927 266 K CB -0.389 31.758 32.500 -0.589 0.000 0.712 266 K HN 0.439 nan 8.250 nan 0.000 0.441 267 A N 1.200 123.699 122.820 -0.534 0.000 1.883 267 A HA -0.163 4.179 4.320 0.037 0.000 0.217 267 A C 2.422 179.882 177.584 -0.206 0.000 1.186 267 A CA 1.751 53.616 52.037 -0.287 0.000 0.624 267 A CB -0.840 18.101 19.000 -0.100 0.000 0.822 267 A HN 0.085 nan 8.150 nan 0.000 0.444 268 V N -0.145 119.657 119.914 -0.187 0.000 2.255 268 V HA -0.282 3.860 4.120 0.037 0.000 0.247 268 V C 3.075 179.100 176.094 -0.115 0.000 1.051 268 V CA 2.136 64.369 62.300 -0.112 0.000 1.018 268 V CB -1.412 30.360 31.823 -0.085 0.000 0.641 268 V HN 0.636 nan 8.190 nan 0.000 0.445 269 A N -0.489 122.220 122.820 -0.185 0.000 1.940 269 A HA -0.193 4.150 4.320 0.037 0.000 0.219 269 A C 2.142 179.711 177.584 -0.025 0.000 1.176 269 A CA 1.942 53.904 52.037 -0.125 0.000 0.631 269 A CB -0.785 18.133 19.000 -0.135 0.000 0.814 269 A HN 0.559 nan 8.150 nan 0.000 0.446 270 F N -0.021 119.868 119.950 -0.102 0.000 2.134 270 F HA -0.108 4.449 4.527 0.049 0.000 0.299 270 F C 2.751 178.462 175.800 -0.148 0.000 1.097 270 F CA 0.244 58.163 58.000 -0.136 0.000 1.264 270 F CB -0.657 38.298 39.000 -0.076 0.000 1.001 270 F HN 0.367 nan 8.300 nan 0.000 0.479 271 G N 0.401 109.244 108.800 0.071 0.000 2.476 271 G HA2 -0.274 3.708 3.960 0.037 0.000 0.218 271 G HA3 -0.274 3.708 3.960 0.037 0.000 0.218 271 G C 1.366 176.256 174.900 -0.016 0.000 1.164 271 G CA 1.096 46.205 45.100 0.015 0.000 0.768 271 G HN 0.352 nan 8.290 nan 0.000 0.560 272 E N 0.482 120.661 120.200 -0.035 0.000 2.085 272 E HA -0.056 4.316 4.350 0.037 0.000 0.194 272 E C 2.876 179.411 176.600 -0.107 0.000 0.994 272 E CA 0.826 57.208 56.400 -0.031 0.000 0.801 272 E CB -0.202 29.488 29.700 -0.016 0.000 0.743 272 E HN 0.434 nan 8.360 nan 0.000 0.453 273 A N 0.794 123.410 122.820 -0.339 0.000 2.067 273 A HA -0.079 4.263 4.320 0.037 0.000 0.219 273 A C 2.066 179.490 177.584 -0.267 0.000 1.158 273 A CA 0.707 52.291 52.037 -0.755 0.000 0.661 273 A CB -0.358 18.089 19.000 -0.921 0.000 0.801 273 A HN 0.137 nan 8.150 nan 0.000 0.452 274 L N -0.464 120.676 121.223 -0.139 0.000 2.376 274 L HA -0.081 4.281 4.340 0.037 0.000 0.219 274 L C 0.944 177.819 176.870 0.008 0.000 1.133 274 L CA 0.249 55.049 54.840 -0.067 0.000 0.816 274 L CB -0.273 41.754 42.059 -0.054 0.000 0.933 274 L HN 0.495 nan 8.230 nan 0.000 0.449 275 Q N -0.177 119.652 119.800 0.048 0.000 2.354 275 Q HA -0.020 4.343 4.340 0.037 0.000 0.244 275 Q C 0.438 176.515 176.000 0.129 0.000 0.969 275 Q CA -0.565 55.288 55.803 0.083 0.000 0.885 275 Q CB 0.872 29.664 28.738 0.090 0.000 1.241 275 Q HN 0.030 nan 8.270 nan 0.000 0.461 276 D N 1.517 121.975 120.400 0.097 0.000 2.149 276 D HA -0.184 4.479 4.640 0.037 0.000 0.198 276 D C 1.268 177.641 176.300 0.121 0.000 0.990 276 D CA 1.566 55.624 54.000 0.097 0.000 0.839 276 D CB -0.118 40.721 40.800 0.066 0.000 0.948 276 D HN 0.653 nan 8.370 nan 0.000 0.460 277 D N -0.167 120.309 120.400 0.128 0.000 2.264 277 D HA -0.175 4.487 4.640 0.037 0.000 0.208 277 D C 1.935 178.345 176.300 0.184 0.000 0.966 277 D CA 0.250 54.327 54.000 0.129 0.000 0.864 277 D CB -0.964 39.898 40.800 0.104 0.000 0.933 277 D HN 0.248 nan 8.370 nan 0.000 0.499 278 F N 1.753 121.766 119.950 0.106 0.000 2.186 278 F HA -0.074 4.474 4.527 0.036 0.000 0.299 278 F C 1.984 177.895 175.800 0.185 0.000 1.090 278 F CA 1.144 59.246 58.000 0.170 0.000 1.307 278 F CB 0.096 39.169 39.000 0.122 0.000 1.019 278 F HN -0.216 nan 8.300 nan 0.000 0.489 279 K N 0.594 121.123 120.400 0.216 0.000 2.057 279 K HA -0.114 4.229 4.320 0.037 0.000 0.207 279 K C 2.312 178.911 176.600 -0.002 0.000 1.049 279 K CA 1.266 57.614 56.287 0.100 0.000 0.931 279 K CB -1.207 31.362 32.500 0.115 0.000 0.714 279 K HN 0.363 nan 8.250 nan 0.000 0.440 280 A N 1.218 124.056 122.820 0.031 0.000 1.877 280 A HA -0.209 4.133 4.320 0.037 0.000 0.216 280 A C 2.212 179.786 177.584 -0.018 0.000 1.186 280 A CA 1.468 53.515 52.037 0.016 0.000 0.620 280 A CB -0.876 18.154 19.000 0.049 0.000 0.822 280 A HN 0.384 nan 8.150 nan 0.000 0.443 281 Y N 0.945 121.159 120.300 -0.143 0.000 2.053 281 Y HA -0.231 4.344 4.550 0.042 0.000 0.277 281 Y C 2.613 178.361 175.900 -0.253 0.000 1.159 281 Y CA 1.701 59.676 58.100 -0.209 0.000 1.125 281 Y CB -0.883 37.390 38.460 -0.312 0.000 0.969 281 Y HN 0.292 nan 8.280 nan 0.000 0.492 282 A N 0.968 123.352 122.820 -0.727 0.000 1.940 282 A HA -0.209 4.134 4.320 0.037 0.000 0.219 282 A C 2.209 179.581 177.584 -0.353 0.000 1.176 282 A CA 2.078 53.714 52.037 -0.668 0.000 0.631 282 A CB -0.602 18.154 19.000 -0.407 0.000 0.814 282 A HN 0.616 nan 8.150 nan 0.000 0.446 283 K N -0.401 119.873 120.400 -0.210 0.000 2.057 283 K HA -0.142 4.201 4.320 0.037 0.000 0.207 283 K C 2.140 178.672 176.600 -0.114 0.000 1.049 283 K CA 1.353 57.574 56.287 -0.110 0.000 0.931 283 K CB -0.279 32.190 32.500 -0.052 0.000 0.714 283 K HN 0.425 nan 8.250 nan 0.000 0.440 284 R N 0.966 121.383 120.500 -0.140 0.000 2.096 284 R HA -0.081 4.282 4.340 0.037 0.000 0.235 284 R C 2.428 178.652 176.300 -0.127 0.000 1.127 284 R CA 1.046 57.088 56.100 -0.095 0.000 0.968 284 R CB -0.555 29.721 30.300 -0.039 0.000 0.861 284 R HN 0.002 nan 8.270 nan 0.000 0.440 285 V N 0.554 120.304 119.914 -0.273 0.000 2.255 285 V HA -0.242 3.901 4.120 0.037 0.000 0.247 285 V C 2.358 178.405 176.094 -0.079 0.000 1.051 285 V CA 1.798 63.969 62.300 -0.215 0.000 1.018 285 V CB -0.374 31.224 31.823 -0.374 0.000 0.641 285 V HN 0.124 nan 8.190 nan 0.000 0.445 286 V N 0.037 119.907 119.914 -0.073 0.000 2.358 286 V HA -0.225 3.917 4.120 0.037 0.000 0.246 286 V C 2.275 178.364 176.094 -0.009 0.000 1.047 286 V CA 2.083 64.376 62.300 -0.012 0.000 1.035 286 V CB -0.727 31.096 31.823 0.001 0.000 0.658 286 V HN 0.542 nan 8.190 nan 0.000 0.452 287 D N 0.387 120.775 120.400 -0.020 0.000 2.104 287 D HA -0.152 4.511 4.640 0.037 0.000 0.194 287 D C 2.074 178.377 176.300 0.005 0.000 0.994 287 D CA 1.279 55.275 54.000 -0.006 0.000 0.830 287 D CB -0.433 40.362 40.800 -0.007 0.000 0.959 287 D HN 0.347 nan 8.370 nan 0.000 0.452 288 N N 0.510 119.214 118.700 0.007 0.000 2.120 288 N HA -0.092 4.670 4.740 0.037 0.000 0.188 288 N C 1.701 177.226 175.510 0.026 0.000 1.024 288 N CA 1.278 54.345 53.050 0.028 0.000 0.852 288 N CB -0.423 38.092 38.487 0.046 0.000 1.003 288 N HN 0.140 nan 8.380 nan 0.000 0.424 289 A N 0.833 123.662 122.820 0.015 0.000 1.902 289 A HA -0.136 4.206 4.320 0.037 0.000 0.217 289 A C 2.238 179.824 177.584 0.004 0.000 1.181 289 A CA 1.556 53.597 52.037 0.008 0.000 0.623 289 A CB -0.386 18.617 19.000 0.005 0.000 0.818 289 A HN 0.137 nan 8.150 nan 0.000 0.443 290 K N -0.547 119.857 120.400 0.006 0.000 2.026 290 K HA -0.116 4.227 4.320 0.037 0.000 0.208 290 K C 2.231 178.838 176.600 0.012 0.000 1.048 290 K CA 1.595 57.885 56.287 0.006 0.000 0.929 290 K CB -0.208 32.296 32.500 0.006 0.000 0.713 290 K HN 0.334 nan 8.250 nan 0.000 0.439 291 R N 0.430 120.940 120.500 0.016 0.000 2.073 291 R HA -0.067 4.295 4.340 0.037 0.000 0.234 291 R C 2.011 178.327 176.300 0.026 0.000 1.134 291 R CA 1.346 57.459 56.100 0.021 0.000 0.952 291 R CB -0.927 29.387 30.300 0.024 0.000 0.850 291 R HN 0.229 nan 8.270 nan 0.000 0.433 292 L N 0.294 121.533 121.223 0.027 0.000 2.046 292 L HA 0.039 4.401 4.340 0.037 0.000 0.208 292 L C 2.090 178.973 176.870 0.022 0.000 1.077 292 L CA 2.169 57.025 54.840 0.027 0.000 0.747 292 L CB -1.075 41.000 42.059 0.025 0.000 0.896 292 L HN 0.279 nan 8.230 nan 0.000 0.432 293 A N -0.726 122.102 122.820 0.013 0.000 1.865 293 A HA -0.280 4.063 4.320 0.037 0.000 0.217 293 A C 2.520 180.124 177.584 0.033 0.000 1.191 293 A CA 2.681 54.726 52.037 0.014 0.000 0.623 293 A CB -1.343 17.659 19.000 0.003 0.000 0.826 293 A HN 0.664 nan 8.150 nan 0.000 0.444 294 S N 0.094 115.811 115.700 0.029 0.000 2.382 294 S HA 0.035 4.528 4.470 0.037 0.000 0.228 294 S C 2.112 176.740 174.600 0.046 0.000 1.027 294 S CA 1.471 59.691 58.200 0.034 0.000 0.991 294 S CB -0.744 62.470 63.200 0.024 0.000 0.823 294 S HN 0.992 nan 8.310 nan 0.000 0.469 295 A N 1.989 124.837 122.820 0.047 0.000 1.902 295 A HA 0.141 4.483 4.320 0.037 0.000 0.217 295 A C 2.343 179.986 177.584 0.099 0.000 1.181 295 A CA 1.415 53.488 52.037 0.059 0.000 0.623 295 A CB -0.888 18.142 19.000 0.051 0.000 0.818 295 A HN 0.549 nan 8.150 nan 0.000 0.443 296 L N -0.895 120.395 121.223 0.112 0.000 2.046 296 L HA -0.263 4.099 4.340 0.037 0.000 0.208 296 L C 2.903 179.935 176.870 0.270 0.000 1.077 296 L CA 1.622 56.592 54.840 0.216 0.000 0.747 296 L CB -0.528 41.590 42.059 0.099 0.000 0.896 296 L HN 0.491 nan 8.230 nan 0.000 0.432 297 Q N -0.538 119.352 119.800 0.150 0.000 2.124 297 Q HA -0.226 4.137 4.340 0.037 0.000 0.202 297 Q C 2.036 178.076 176.000 0.066 0.000 0.977 297 Q CA 1.514 57.381 55.803 0.106 0.000 0.850 297 Q CB -0.306 28.473 28.738 0.068 0.000 0.901 297 Q HN 0.509 nan 8.270 nan 0.000 0.429 298 N N 0.519 119.256 118.700 0.061 0.000 2.149 298 N HA -0.185 4.577 4.740 0.037 0.000 0.188 298 N C 1.117 176.638 175.510 0.018 0.000 1.019 298 N CA 0.869 53.940 53.050 0.034 0.000 0.857 298 N CB 0.222 38.731 38.487 0.036 0.000 0.997 298 N HN 0.188 nan 8.380 nan 0.000 0.426 299 E N -0.313 119.917 120.200 0.051 0.000 2.482 299 E HA 0.009 4.382 4.350 0.037 0.000 0.196 299 E C 1.106 177.572 176.600 -0.223 0.000 1.047 299 E CA 0.641 57.035 56.400 -0.011 0.000 0.869 299 E CB -0.086 29.705 29.700 0.153 0.000 0.836 299 E HN 0.608 nan 8.360 nan 0.000 0.520 300 G N 0.642 109.341 108.800 -0.168 0.000 2.179 300 G HA2 -0.232 3.750 3.960 0.037 0.000 0.220 300 G HA3 -0.232 3.750 3.960 0.037 0.000 0.220 300 G C -0.036 174.704 174.900 -0.267 0.000 0.990 300 G CA -0.350 44.608 45.100 -0.236 0.000 0.646 300 G HN 0.138 nan 8.290 nan 0.000 0.517 301 F N 1.903 121.857 119.950 0.007 0.000 2.399 301 F HA 0.568 5.118 4.527 0.038 0.000 0.342 301 F C 1.174 176.979 175.800 0.009 0.000 1.106 301 F CA 0.065 58.069 58.000 0.008 0.000 1.196 301 F CB 1.288 40.292 39.000 0.006 0.000 1.163 301 F HN -0.086 nan 8.300 nan 0.000 0.547 302 T N 4.866 119.548 114.554 0.213 0.000 2.806 302 T HA 0.537 4.909 4.350 0.037 0.000 0.290 302 T C -0.150 174.618 174.700 0.115 0.000 0.966 302 T CA -0.508 61.670 62.100 0.131 0.000 1.060 302 T CB 0.325 69.253 68.868 0.100 0.000 0.927 302 T HN 0.271 nan 8.240 nan 0.000 0.485 303 L N 2.988 124.263 121.223 0.087 0.000 2.317 303 L HA 0.505 4.868 4.340 0.037 0.000 0.281 303 L C 0.145 177.054 176.870 0.066 0.000 1.024 303 L CA -1.347 53.524 54.840 0.052 0.000 0.810 303 L CB 1.489 43.569 42.059 0.035 0.000 1.240 303 L HN 0.310 nan 8.230 nan 0.000 0.427 304 V N 2.811 122.733 119.914 0.014 0.000 2.557 304 V HA -0.062 4.080 4.120 0.037 0.000 0.301 304 V C 1.157 177.331 176.094 0.134 0.000 1.026 304 V CA 1.297 63.598 62.300 0.002 0.000 1.137 304 V CB 0.826 32.548 31.823 -0.168 0.000 0.917 304 V HN 1.177 nan 8.190 nan 0.000 0.484 305 S N 2.568 118.511 115.700 0.405 0.000 2.929 305 S HA -0.209 4.283 4.470 0.037 0.000 0.271 305 S C 1.348 175.997 174.600 0.082 0.000 1.295 305 S CA 1.167 59.483 58.200 0.193 0.000 1.277 305 S CB -1.933 61.311 63.200 0.073 0.000 1.557 305 S HN 2.823 nan 8.310 nan 0.000 0.666 306 G N -0.268 108.587 108.800 0.090 0.000 2.148 306 G HA2 0.315 4.298 3.960 0.037 0.000 0.254 306 G HA3 0.315 4.298 3.960 0.037 0.000 0.254 306 G C 1.011 175.926 174.900 0.025 0.000 0.981 306 G CA 0.656 45.785 45.100 0.049 0.000 0.670 306 G HN 2.615 nan 8.290 nan 0.000 0.528 307 G N -2.669 106.139 108.800 0.012 0.000 2.441 307 G HA2 0.663 4.646 3.960 0.037 0.000 0.222 307 G HA3 0.663 4.646 3.960 0.037 0.000 0.222 307 G C -0.572 174.307 174.900 -0.033 0.000 1.254 307 G CA 0.911 46.008 45.100 -0.006 0.000 0.959 307 G HN 1.856 nan 8.290 nan 0.000 0.474 308 T N -0.926 113.606 114.554 -0.037 0.000 2.932 308 T HA 0.559 4.931 4.350 0.037 0.000 0.318 308 T C -1.190 173.489 174.700 -0.035 0.000 1.265 308 T CA 0.057 62.123 62.100 -0.056 0.000 1.036 308 T CB 1.867 70.700 68.868 -0.058 0.000 1.209 308 T HN 0.298 nan 8.240 nan 0.000 0.484 309 D N 2.039 122.418 120.400 -0.035 0.000 2.398 309 D HA 0.195 4.857 4.640 0.037 0.000 0.210 309 D C 0.690 177.024 176.300 0.056 0.000 1.094 309 D CA 0.263 54.263 54.000 -0.000 0.000 0.839 309 D CB 0.528 41.321 40.800 -0.011 0.000 0.963 309 D HN 0.673 nan 8.370 nan 0.000 0.506 310 N N -0.795 117.944 118.700 0.066 0.000 3.567 310 N HA -0.024 4.738 4.740 0.037 0.000 0.347 310 N C 0.922 176.516 175.510 0.140 0.000 1.553 310 N CA -0.336 52.815 53.050 0.169 0.000 0.636 310 N CB -0.196 38.478 38.487 0.311 0.000 2.483 310 N HN -0.153 nan 8.380 nan 0.000 0.608 311 H N -0.914 118.181 119.070 0.042 0.000 2.548 311 H HA 0.336 4.914 4.556 0.038 0.000 0.265 311 H C 0.019 175.364 175.328 0.028 0.000 0.969 311 H CA -0.091 55.971 56.048 0.023 0.000 1.155 311 H CB -0.386 29.397 29.762 0.035 0.000 1.394 311 H HN 0.515 nan 8.280 nan 0.000 0.570 312 L N 0.029 120.990 121.223 -0.436 0.000 2.371 312 L HA 0.666 5.028 4.340 0.037 0.000 0.262 312 L C -1.248 175.498 176.870 -0.207 0.000 1.006 312 L CA -1.578 53.033 54.840 -0.381 0.000 0.818 312 L CB 2.331 44.044 42.059 -0.576 0.000 1.354 312 L HN 0.029 nan 8.230 nan 0.000 0.415 313 L N 0.525 121.660 121.223 -0.147 0.000 2.359 313 L HA 0.880 5.242 4.340 0.037 0.000 0.256 313 L C -1.567 175.243 176.870 -0.100 0.000 1.026 313 L CA -0.851 53.925 54.840 -0.107 0.000 0.828 313 L CB 2.036 44.050 42.059 -0.075 0.000 1.406 313 L HN 0.647 nan 8.230 nan 0.000 0.413 314 L N 1.618 122.790 121.223 -0.086 0.000 2.381 314 L HA 0.702 5.065 4.340 0.037 0.000 0.274 314 L C -0.827 176.000 176.870 -0.071 0.000 0.988 314 L CA -1.042 53.748 54.840 -0.084 0.000 0.824 314 L CB 2.068 44.074 42.059 -0.088 0.000 1.263 314 L HN 0.425 nan 8.230 nan 0.000 0.410 315 V N 1.232 121.097 119.914 -0.081 0.000 2.406 315 V HA 0.126 4.268 4.120 0.037 0.000 0.272 315 V C -0.094 175.982 176.094 -0.031 0.000 1.043 315 V CA -0.296 61.966 62.300 -0.064 0.000 0.915 315 V CB 1.474 33.207 31.823 -0.150 0.000 0.988 315 V HN 0.664 nan 8.190 nan 0.000 0.466 316 D N 4.570 124.974 120.400 0.006 0.000 2.365 316 D HA 0.201 4.864 4.640 0.037 0.000 0.237 316 D C 0.638 176.978 176.300 0.066 0.000 1.190 316 D CA -0.008 54.002 54.000 0.016 0.000 0.867 316 D CB 1.089 41.899 40.800 0.018 0.000 1.050 316 D HN 0.462 nan 8.370 nan 0.000 0.491 317 L N 3.617 124.874 121.223 0.056 0.000 2.591 317 L HA 0.161 4.524 4.340 0.037 0.000 0.228 317 L C 2.333 179.249 176.870 0.077 0.000 1.133 317 L CA -0.117 54.778 54.840 0.092 0.000 0.880 317 L CB 0.005 42.105 42.059 0.068 0.000 1.033 317 L HN 0.285 nan 8.230 nan 0.000 0.450 318 R N 0.682 121.216 120.500 0.057 0.000 2.096 318 R HA -0.182 4.181 4.340 0.037 0.000 0.240 318 R C -0.379 175.947 176.300 0.044 0.000 1.139 318 R CA 1.620 57.748 56.100 0.046 0.000 0.952 318 R CB -1.555 28.770 30.300 0.041 0.000 0.854 318 R HN 0.309 nan 8.270 nan 0.000 0.436 319 P HA -0.138 nan 4.420 nan 0.000 0.219 319 P C 0.539 177.852 177.300 0.022 0.000 1.146 319 P CA 1.276 64.394 63.100 0.030 0.000 0.808 319 P CB 0.130 31.846 31.700 0.027 0.000 0.779 320 Q N -1.217 118.610 119.800 0.044 0.000 2.319 320 Q HA 0.116 4.478 4.340 0.037 0.000 0.202 320 Q C 0.293 176.317 176.000 0.041 0.000 0.896 320 Q CA 0.096 55.923 55.803 0.040 0.000 0.942 320 Q CB -0.417 28.374 28.738 0.088 0.000 1.083 320 Q HN 0.126 nan 8.270 nan 0.000 0.510 321 Q N -0.352 119.471 119.800 0.038 0.000 2.457 321 Q HA -0.221 4.141 4.340 0.037 0.000 0.283 321 Q C -0.872 175.151 176.000 0.038 0.000 1.234 321 Q CA 0.761 56.584 55.803 0.033 0.000 0.877 321 Q CB -2.049 26.703 28.738 0.024 0.000 1.250 321 Q HN 0.401 nan 8.270 nan 0.000 0.481 322 L N 0.016 121.268 121.223 0.048 0.000 2.342 322 L HA 0.504 4.867 4.340 0.037 0.000 0.271 322 L C 1.028 177.922 176.870 0.040 0.000 1.008 322 L CA -0.671 54.197 54.840 0.047 0.000 0.818 322 L CB 1.777 43.873 42.059 0.062 0.000 1.296 322 L HN 0.076 nan 8.230 nan 0.000 0.427 323 T N -1.803 112.770 114.554 0.033 0.000 2.899 323 T HA 0.249 4.621 4.350 0.037 0.000 0.284 323 T C 1.255 175.968 174.700 0.020 0.000 1.004 323 T CA -0.102 62.014 62.100 0.027 0.000 1.043 323 T CB 1.592 70.476 68.868 0.028 0.000 1.013 323 T HN 0.706 nan 8.240 nan 0.000 0.518 324 G N 0.325 109.131 108.800 0.010 0.000 2.442 324 G HA2 -0.215 3.768 3.960 0.037 0.000 0.219 324 G HA3 -0.215 3.768 3.960 0.037 0.000 0.219 324 G C 1.379 176.281 174.900 0.004 0.000 1.141 324 G CA 0.899 45.998 45.100 -0.002 0.000 0.763 324 G HN 0.842 nan 8.290 nan 0.000 0.554 325 K N -0.216 120.193 120.400 0.014 0.000 2.009 325 K HA -0.125 4.218 4.320 0.037 0.000 0.210 325 K C 2.631 179.243 176.600 0.021 0.000 1.049 325 K CA 1.821 58.121 56.287 0.022 0.000 0.929 325 K CB -0.390 32.132 32.500 0.036 0.000 0.714 325 K HN 0.278 nan 8.250 nan 0.000 0.440 326 T N 0.793 115.360 114.554 0.023 0.000 2.684 326 T HA -0.165 4.207 4.350 0.037 0.000 0.267 326 T C 1.852 176.565 174.700 0.022 0.000 1.036 326 T CA 1.476 63.590 62.100 0.024 0.000 1.148 326 T CB -0.348 68.537 68.868 0.028 0.000 0.863 326 T HN 0.438 nan 8.240 nan 0.000 0.436 327 A N 1.368 124.199 122.820 0.019 0.000 1.877 327 A HA -0.161 4.181 4.320 0.037 0.000 0.216 327 A C 2.232 179.817 177.584 0.002 0.000 1.186 327 A CA 2.034 54.078 52.037 0.012 0.000 0.620 327 A CB -0.739 18.261 19.000 -0.000 0.000 0.822 327 A HN 0.651 nan 8.150 nan 0.000 0.443 328 E N -0.024 120.175 120.200 -0.001 0.000 2.070 328 E HA -0.290 4.082 4.350 0.037 0.000 0.197 328 E C 2.094 178.699 176.600 0.008 0.000 1.004 328 E CA 1.742 58.141 56.400 -0.001 0.000 0.805 328 E CB -0.187 29.512 29.700 -0.001 0.000 0.744 328 E HN 0.630 nan 8.360 nan 0.000 0.451 329 K N 0.272 120.680 120.400 0.013 0.000 2.002 329 K HA -0.137 4.206 4.320 0.037 0.000 0.209 329 K C 2.196 178.806 176.600 0.017 0.000 1.048 329 K CA 1.449 57.745 56.287 0.016 0.000 0.930 329 K CB -0.262 32.249 32.500 0.019 0.000 0.714 329 K HN 0.153 nan 8.250 nan 0.000 0.438 330 V N 1.522 121.447 119.914 0.018 0.000 2.358 330 V HA -0.186 3.956 4.120 0.037 0.000 0.246 330 V C 2.136 178.241 176.094 0.020 0.000 1.047 330 V CA 1.425 63.737 62.300 0.021 0.000 1.035 330 V CB -0.199 31.640 31.823 0.026 0.000 0.658 330 V HN 0.348 nan 8.190 nan 0.000 0.452 331 L N 0.149 121.381 121.223 0.015 0.000 2.079 331 L HA -0.213 4.149 4.340 0.037 0.000 0.210 331 L C 2.373 179.252 176.870 0.015 0.000 1.081 331 L CA 2.311 57.158 54.840 0.012 0.000 0.752 331 L CB -0.748 41.311 42.059 -0.001 0.000 0.896 331 L HN 0.467 nan 8.230 nan 0.000 0.433 332 D N 0.133 120.542 120.400 0.014 0.000 2.149 332 D HA -0.229 4.433 4.640 0.037 0.000 0.198 332 D C 1.987 178.298 176.300 0.018 0.000 0.990 332 D CA 1.239 55.249 54.000 0.016 0.000 0.839 332 D CB 0.109 40.918 40.800 0.015 0.000 0.948 332 D HN 0.327 nan 8.370 nan 0.000 0.460 333 E N -0.528 119.683 120.200 0.018 0.000 2.204 333 E HA -0.130 4.243 4.350 0.037 0.000 0.195 333 E C 1.962 178.574 176.600 0.020 0.000 0.990 333 E CA 1.186 57.597 56.400 0.019 0.000 0.821 333 E CB 0.130 29.841 29.700 0.019 0.000 0.750 333 E HN 0.459 nan 8.360 nan 0.000 0.477 334 V N -3.703 116.224 119.914 0.022 0.000 3.578 334 V HA 0.466 4.608 4.120 0.037 0.000 0.290 334 V C 1.069 177.179 176.094 0.026 0.000 1.376 334 V CA 0.386 62.700 62.300 0.024 0.000 1.083 334 V CB 0.281 32.120 31.823 0.026 0.000 0.911 334 V HN 0.228 nan 8.190 nan 0.000 0.433 335 G N 0.938 109.753 108.800 0.025 0.000 2.131 335 G HA2 -0.189 3.794 3.960 0.037 0.000 0.223 335 G HA3 -0.189 3.794 3.960 0.037 0.000 0.223 335 G C -0.221 174.698 174.900 0.031 0.000 0.990 335 G CA 0.181 45.297 45.100 0.028 0.000 0.671 335 G HN 0.594 nan 8.290 nan 0.000 0.521 336 I N 1.806 122.393 120.570 0.028 0.000 2.339 336 I HA 0.364 4.556 4.170 0.037 0.000 0.290 336 I C 0.100 176.228 176.117 0.018 0.000 0.994 336 I CA -0.578 60.738 61.300 0.027 0.000 1.191 336 I CB 1.852 39.867 38.000 0.024 0.000 1.343 336 I HN 0.014 nan 8.210 nan 0.000 0.458 337 T N 6.567 121.132 114.554 0.018 0.000 2.762 337 T HA 0.443 4.815 4.350 0.037 0.000 0.303 337 T C 0.032 174.735 174.700 0.004 0.000 0.977 337 T CA -0.503 61.605 62.100 0.014 0.000 0.961 337 T CB 0.645 69.525 68.868 0.021 0.000 0.944 337 T HN 0.431 nan 8.240 nan 0.000 0.481 338 V N 1.299 121.211 119.914 -0.003 0.000 3.181 338 V HA 0.787 4.929 4.120 0.037 0.000 0.314 338 V C -0.825 175.264 176.094 -0.010 0.000 1.173 338 V CA -1.378 60.914 62.300 -0.013 0.000 1.052 338 V CB 2.338 34.142 31.823 -0.031 0.000 1.123 338 V HN 0.832 nan 8.190 nan 0.000 0.454 339 N N 0.243 118.934 118.700 -0.015 0.000 2.269 339 N HA 0.341 5.104 4.740 0.037 0.000 0.304 339 N C -0.753 174.740 175.510 -0.028 0.000 1.072 339 N CA -0.796 52.244 53.050 -0.016 0.000 0.802 339 N CB 2.516 40.997 38.487 -0.011 0.000 1.348 339 N HN 0.995 nan 8.380 nan 0.000 0.484 340 K N 1.215 121.599 120.400 -0.026 0.000 2.485 340 K HA 0.030 4.372 4.320 0.037 0.000 0.277 340 K C -0.979 175.591 176.600 -0.050 0.000 0.990 340 K CA 0.070 56.337 56.287 -0.033 0.000 0.994 340 K CB 0.246 32.733 32.500 -0.022 0.000 0.906 340 K HN 0.700 nan 8.250 nan 0.000 0.488 341 N N 0.807 119.474 118.700 -0.055 0.000 2.371 341 N HA 0.094 4.856 4.740 0.037 0.000 0.280 341 N C -1.655 173.814 175.510 -0.068 0.000 1.084 341 N CA -0.588 52.421 53.050 -0.068 0.000 0.892 341 N CB 1.848 40.295 38.487 -0.065 0.000 1.653 341 N HN 0.777 nan 8.380 nan 0.000 0.480 342 T N 0.792 115.299 114.554 -0.079 0.000 2.932 342 T HA 0.336 4.708 4.350 0.037 0.000 0.312 342 T C 0.745 175.400 174.700 -0.076 0.000 1.071 342 T CA -0.432 61.626 62.100 -0.070 0.000 1.128 342 T CB -0.048 68.777 68.868 -0.072 0.000 0.984 342 T HN 0.434 nan 8.240 nan 0.000 0.549 343 I N -0.624 119.898 120.570 -0.081 0.000 2.793 343 I HA 0.658 4.850 4.170 0.037 0.000 0.313 343 I C -2.848 173.177 176.117 -0.153 0.000 0.998 343 I CA -3.709 57.516 61.300 -0.127 0.000 1.140 343 I CB 1.191 39.111 38.000 -0.132 0.000 1.327 343 I HN 0.324 nan 8.210 nan 0.000 0.491 344 P HA 0.056 nan 4.420 nan 0.000 0.265 344 P C -1.252 175.951 177.300 -0.162 0.000 1.193 344 P CA 0.640 63.463 63.100 -0.462 0.000 0.765 344 P CB -0.179 31.243 31.700 -0.464 0.000 0.823 345 Y N -0.752 119.492 120.300 -0.094 0.000 3.929 345 Y HA -0.263 4.310 4.550 0.038 0.000 0.225 345 Y C 0.782 176.689 175.900 0.012 0.000 1.200 345 Y CA 0.329 58.444 58.100 0.024 0.000 1.791 345 Y CB -2.471 36.004 38.460 0.025 0.000 1.561 345 Y HN 0.391 nan 8.280 nan 0.000 0.657 346 D N 2.167 122.601 120.400 0.057 0.000 2.450 346 D HA 0.021 4.684 4.640 0.037 0.000 0.247 346 D C -0.756 175.578 176.300 0.057 0.000 1.162 346 D CA -0.915 53.109 54.000 0.039 0.000 0.879 346 D CB 1.072 41.872 40.800 -0.000 0.000 1.163 346 D HN 0.179 nan 8.370 nan 0.000 0.472 347 P HA -0.001 nan 4.420 nan 0.000 0.233 347 P C -0.010 177.316 177.300 0.043 0.000 1.167 347 P CA 0.496 63.628 63.100 0.054 0.000 0.770 347 P CB 0.626 32.356 31.700 0.050 0.000 0.837 348 E N 0.478 120.700 120.200 0.036 0.000 2.250 348 E HA 0.240 4.612 4.350 0.037 0.000 0.269 348 E C 0.409 177.033 176.600 0.040 0.000 1.018 348 E CA -0.472 55.951 56.400 0.038 0.000 0.873 348 E CB 1.266 30.986 29.700 0.033 0.000 1.134 348 E HN 0.050 nan 8.360 nan 0.000 0.403 349 S N 1.162 116.900 115.700 0.062 0.000 2.584 349 S HA 0.089 4.581 4.470 0.037 0.000 0.270 349 S C -1.606 173.025 174.600 0.051 0.000 1.346 349 S CA -0.917 57.337 58.200 0.090 0.000 1.018 349 S CB 0.665 63.968 63.200 0.172 0.000 0.899 349 S HN 0.237 nan 8.310 nan 0.000 0.542 350 P HA -0.053 nan 4.420 nan 0.000 0.223 350 P C 0.654 177.779 177.300 -0.291 0.000 1.144 350 P CA 1.148 64.131 63.100 -0.195 0.000 0.783 350 P CB -0.211 31.289 31.700 -0.332 0.000 0.771 351 F N -1.615 118.323 119.950 -0.020 0.000 2.743 351 F HA 0.019 4.569 4.527 0.037 0.000 0.297 351 F C 2.133 177.927 175.800 -0.011 0.000 1.131 351 F CA 0.414 58.404 58.000 -0.016 0.000 1.426 351 F CB -0.204 38.788 39.000 -0.014 0.000 1.116 351 F HN -0.256 nan 8.300 nan 0.000 0.583 352 V N -1.907 118.083 119.914 0.128 0.000 3.001 352 V HA 0.165 4.308 4.120 0.037 0.000 0.228 352 V C 0.558 176.671 176.094 0.032 0.000 1.204 352 V CA 0.890 63.236 62.300 0.077 0.000 1.247 352 V CB -0.003 31.865 31.823 0.074 0.000 1.093 352 V HN 0.357 nan 8.190 nan 0.000 0.504 353 T N -0.841 113.725 114.554 0.020 0.000 0.541 353 T HA -0.217 4.155 4.350 0.037 0.000 0.774 353 T C 0.134 174.836 174.700 0.004 0.000 0.992 353 T CA 0.349 62.447 62.100 -0.004 0.000 4.077 353 T CB -1.448 67.403 68.868 -0.029 0.000 2.303 353 T HN 0.344 nan 8.240 nan 0.000 0.398 354 S N 1.176 116.874 115.700 -0.003 0.000 2.575 354 S HA 0.581 5.073 4.470 0.037 0.000 0.237 354 S C 0.780 175.376 174.600 -0.006 0.000 0.975 354 S CA -0.033 58.170 58.200 0.004 0.000 0.960 354 S CB 0.523 63.728 63.200 0.010 0.000 0.822 354 S HN 1.232 nan 8.310 nan 0.000 0.472 355 G N 1.532 110.320 108.800 -0.021 0.000 2.672 355 G HA2 0.720 4.703 3.960 0.037 0.000 0.292 355 G HA3 0.720 4.703 3.960 0.037 0.000 0.292 355 G C -1.242 173.632 174.900 -0.044 0.000 1.375 355 G CA -0.893 44.185 45.100 -0.036 0.000 0.890 355 G HN 0.310 nan 8.290 nan 0.000 0.476 356 I N -1.875 118.659 120.570 -0.060 0.000 2.608 356 I HA 0.763 4.956 4.170 0.037 0.000 0.295 356 I C -0.413 175.659 176.117 -0.074 0.000 1.049 356 I CA -1.229 60.031 61.300 -0.066 0.000 1.063 356 I CB 2.513 40.467 38.000 -0.076 0.000 1.248 356 I HN 0.470 nan 8.210 nan 0.000 0.424 357 R N 5.739 126.201 120.500 -0.063 0.000 2.407 357 R HA 0.785 5.147 4.340 0.037 0.000 0.303 357 R C -1.590 174.678 176.300 -0.054 0.000 0.981 357 R CA -0.563 55.499 56.100 -0.064 0.000 0.905 357 R CB 1.397 31.665 30.300 -0.054 0.000 1.099 357 R HN 0.834 nan 8.270 nan 0.000 0.459 358 I N 2.578 123.109 120.570 -0.064 0.000 2.569 358 I HA 0.449 4.641 4.170 0.037 0.000 0.290 358 I C -0.152 175.933 176.117 -0.053 0.000 1.088 358 I CA -0.770 60.499 61.300 -0.052 0.000 1.047 358 I CB 2.499 40.459 38.000 -0.067 0.000 1.237 358 I HN 0.801 nan 8.210 nan 0.000 0.421 359 G N 1.428 110.217 108.800 -0.018 0.000 2.619 359 G HA2 0.512 4.494 3.960 0.037 0.000 0.296 359 G HA3 0.512 4.494 3.960 0.037 0.000 0.296 359 G C 0.097 175.017 174.900 0.033 0.000 1.334 359 G CA -0.257 44.843 45.100 -0.001 0.000 0.934 359 G HN 0.577 nan 8.290 nan 0.000 0.476 360 T N -2.271 112.316 114.554 0.056 0.000 3.054 360 T HA 0.370 4.743 4.350 0.037 0.000 0.255 360 T C 2.158 176.896 174.700 0.063 0.000 1.035 360 T CA 1.218 63.349 62.100 0.052 0.000 0.941 360 T CB 0.653 69.547 68.868 0.044 0.000 1.026 360 T HN 0.745 nan 8.240 nan 0.000 0.533 361 A N 1.962 124.837 122.820 0.092 0.000 1.908 361 A HA 0.229 4.572 4.320 0.037 0.000 0.218 361 A C 2.702 180.381 177.584 0.158 0.000 1.181 361 A CA 1.891 53.999 52.037 0.120 0.000 0.627 361 A CB -1.363 17.710 19.000 0.120 0.000 0.818 361 A HN 0.727 nan 8.150 nan 0.000 0.445 362 A N -0.148 122.700 122.820 0.046 0.000 1.855 362 A HA 0.016 4.359 4.320 0.037 0.000 0.215 362 A C 2.345 180.011 177.584 0.137 0.000 1.191 362 A CA 2.305 54.344 52.037 0.005 0.000 0.613 362 A CB -1.347 17.532 19.000 -0.202 0.000 0.829 362 A HN 1.158 nan 8.150 nan 0.000 0.442 363 V N -2.295 117.606 119.914 -0.023 0.000 2.490 363 V HA -0.185 3.957 4.120 0.037 0.000 0.250 363 V C 2.151 178.180 176.094 -0.109 0.000 1.061 363 V CA 2.688 64.804 62.300 -0.307 0.000 1.064 363 V CB -1.925 29.658 31.823 -0.401 0.000 0.670 363 V HN 0.432 nan 8.190 nan 0.000 0.461 364 T N 0.491 115.103 114.554 0.096 0.000 2.746 364 T HA -0.154 4.218 4.350 0.037 0.000 0.267 364 T C 1.953 176.838 174.700 0.309 0.000 1.039 364 T CA 2.212 64.439 62.100 0.213 0.000 1.142 364 T CB -0.653 68.308 68.868 0.155 0.000 0.866 364 T HN 0.643 nan 8.240 nan 0.000 0.444 365 T N 2.460 117.216 114.554 0.336 0.000 2.759 365 T HA -0.139 4.233 4.350 0.037 0.000 0.269 365 T C 1.856 176.616 174.700 0.101 0.000 1.042 365 T CA 1.205 63.397 62.100 0.153 0.000 1.140 365 T CB -0.241 68.710 68.868 0.137 0.000 0.864 365 T HN 0.586 nan 8.240 nan 0.000 0.455 366 R N 1.063 121.607 120.500 0.073 0.000 2.319 366 R HA 0.321 4.684 4.340 0.037 0.000 0.204 366 R C 1.437 177.818 176.300 0.136 0.000 0.954 366 R CA 0.651 56.752 56.100 0.002 0.000 1.066 366 R CB -0.217 29.979 30.300 -0.172 0.000 0.991 366 R HN 0.347 nan 8.270 nan 0.000 0.486 367 G N 0.520 109.433 108.800 0.189 0.000 2.157 367 G HA2 -0.264 3.718 3.960 0.037 0.000 0.239 367 G HA3 -0.264 3.718 3.960 0.037 0.000 0.239 367 G C -0.011 175.097 174.900 0.346 0.000 0.982 367 G CA -0.361 44.878 45.100 0.232 0.000 0.650 367 G HN 0.345 nan 8.290 nan 0.000 0.527 368 F N 0.790 120.778 119.950 0.064 0.000 2.506 368 F HA 0.439 4.989 4.527 0.040 0.000 0.351 368 F C 1.502 177.329 175.800 0.046 0.000 1.136 368 F CA 0.249 58.278 58.000 0.048 0.000 1.298 368 F CB 0.982 40.012 39.000 0.050 0.000 1.145 368 F HN 0.230 nan 8.300 nan 0.000 0.593 369 G N 1.710 110.607 108.800 0.163 0.000 3.262 369 G HA2 0.408 4.390 3.960 0.037 0.000 0.229 369 G HA3 0.408 4.390 3.960 0.037 0.000 0.229 369 G C 0.454 175.392 174.900 0.063 0.000 1.280 369 G CA -0.820 44.337 45.100 0.096 0.000 0.951 369 G HN 0.556 nan 8.290 nan 0.000 0.589 370 L N -0.050 121.195 121.223 0.037 0.000 2.046 370 L HA -0.051 4.311 4.340 0.037 0.000 0.208 370 L C 2.785 179.661 176.870 0.011 0.000 1.077 370 L CA 1.135 55.990 54.840 0.026 0.000 0.747 370 L CB -0.371 41.700 42.059 0.019 0.000 0.896 370 L HN 0.350 nan 8.230 nan 0.000 0.432 371 E N 0.528 120.723 120.200 -0.008 0.000 2.118 371 E HA -0.232 4.141 4.350 0.037 0.000 0.195 371 E C 2.111 178.679 176.600 -0.052 0.000 0.992 371 E CA 1.349 57.732 56.400 -0.029 0.000 0.804 371 E CB -0.182 29.493 29.700 -0.042 0.000 0.741 371 E HN 0.508 nan 8.360 nan 0.000 0.458 372 E N -0.094 120.057 120.200 -0.083 0.000 2.106 372 E HA -0.082 4.291 4.350 0.037 0.000 0.192 372 E C 1.968 178.566 176.600 -0.003 0.000 0.984 372 E CA 0.704 57.019 56.400 -0.142 0.000 0.806 372 E CB -0.131 29.358 29.700 -0.352 0.000 0.750 372 E HN 0.130 nan 8.360 nan 0.000 0.458 373 M N 0.818 120.446 119.600 0.048 0.000 2.086 373 M HA -0.140 4.362 4.480 0.037 0.000 0.261 373 M C 1.361 177.687 176.300 0.043 0.000 1.067 373 M CA 1.420 56.761 55.300 0.067 0.000 1.116 373 M CB -0.942 31.695 32.600 0.062 0.000 1.348 373 M HN 0.036 nan 8.290 nan 0.000 0.407 374 D N 0.139 120.554 120.400 0.025 0.000 2.123 374 D HA -0.192 4.470 4.640 0.037 0.000 0.196 374 D C 2.008 178.322 176.300 0.023 0.000 0.992 374 D CA 1.462 55.476 54.000 0.023 0.000 0.833 374 D CB -0.222 40.585 40.800 0.012 0.000 0.954 374 D HN 0.407 nan 8.370 nan 0.000 0.455 375 E N 0.519 120.723 120.200 0.006 0.000 2.072 375 E HA -0.081 4.291 4.350 0.037 0.000 0.191 375 E C 2.142 178.758 176.600 0.026 0.000 0.985 375 E CA 0.640 57.042 56.400 0.003 0.000 0.801 375 E CB -0.339 29.341 29.700 -0.032 0.000 0.750 375 E HN 0.277 nan 8.360 nan 0.000 0.452 376 I N 0.684 121.279 120.570 0.043 0.000 2.163 376 I HA -0.322 3.870 4.170 0.037 0.000 0.243 376 I C 2.446 178.593 176.117 0.049 0.000 1.085 376 I CA 1.222 62.560 61.300 0.063 0.000 1.347 376 I CB -0.548 37.511 38.000 0.098 0.000 1.044 376 I HN 0.228 nan 8.210 nan 0.000 0.408 377 A N 0.827 123.678 122.820 0.051 0.000 1.883 377 A HA -0.235 4.108 4.320 0.037 0.000 0.217 377 A C 2.563 180.208 177.584 0.103 0.000 1.186 377 A CA 2.181 54.259 52.037 0.068 0.000 0.624 377 A CB -0.990 18.056 19.000 0.077 0.000 0.822 377 A HN 0.459 nan 8.150 nan 0.000 0.444 378 A N -0.209 122.658 122.820 0.078 0.000 1.908 378 A HA -0.106 4.236 4.320 0.037 0.000 0.218 378 A C 2.134 179.764 177.584 0.078 0.000 1.181 378 A CA 1.619 53.701 52.037 0.075 0.000 0.627 378 A CB -0.640 18.386 19.000 0.044 0.000 0.818 378 A HN 0.526 nan 8.150 nan 0.000 0.445 379 I N -0.366 120.241 120.570 0.062 0.000 2.179 379 I HA -0.253 3.939 4.170 0.037 0.000 0.242 379 I C 2.291 178.451 176.117 0.072 0.000 1.088 379 I CA 1.306 62.640 61.300 0.057 0.000 1.357 379 I CB -0.357 37.669 38.000 0.045 0.000 1.051 379 I HN 0.297 nan 8.210 nan 0.000 0.409 380 I N 0.802 121.413 120.570 0.068 0.000 2.208 380 I HA -0.244 3.948 4.170 0.037 0.000 0.245 380 I C 2.700 178.936 176.117 0.198 0.000 1.097 380 I CA 1.681 63.014 61.300 0.054 0.000 1.363 380 I CB -0.999 36.957 38.000 -0.073 0.000 1.051 380 I HN 0.294 nan 8.210 nan 0.000 0.413 381 G N 1.227 110.215 108.800 0.313 0.000 2.459 381 G HA2 -0.295 3.688 3.960 0.037 0.000 0.217 381 G HA3 -0.295 3.688 3.960 0.037 0.000 0.217 381 G C 1.648 176.652 174.900 0.173 0.000 1.183 381 G CA 0.898 46.209 45.100 0.352 0.000 0.776 381 G HN 0.287 nan 8.290 nan 0.000 0.552 382 L N 0.738 122.028 121.223 0.113 0.000 2.013 382 L HA -0.085 4.277 4.340 0.037 0.000 0.212 382 L C 2.896 179.810 176.870 0.073 0.000 1.073 382 L CA 1.718 56.600 54.840 0.071 0.000 0.753 382 L CB -0.592 41.499 42.059 0.053 0.000 0.890 382 L HN 0.101 nan 8.230 nan 0.000 0.432 383 V N -0.425 119.540 119.914 0.085 0.000 2.270 383 V HA -0.265 3.878 4.120 0.037 0.000 0.245 383 V C 2.480 178.626 176.094 0.087 0.000 1.043 383 V CA 1.999 64.341 62.300 0.071 0.000 1.014 383 V CB -0.523 31.334 31.823 0.057 0.000 0.645 383 V HN 0.445 nan 8.190 nan 0.000 0.447 384 L N -0.570 120.738 121.223 0.140 0.000 2.291 384 L HA -0.081 4.282 4.340 0.037 0.000 0.214 384 L C 2.276 179.223 176.870 0.129 0.000 1.120 384 L CA 1.221 56.160 54.840 0.165 0.000 0.799 384 L CB -0.509 41.724 42.059 0.290 0.000 0.925 384 L HN 0.300 nan 8.230 nan 0.000 0.446 385 K N 0.308 120.767 120.400 0.099 0.000 2.426 385 K HA 0.036 4.379 4.320 0.037 0.000 0.193 385 K C -0.045 176.573 176.600 0.029 0.000 1.028 385 K CA 0.398 56.706 56.287 0.036 0.000 1.047 385 K CB 0.142 32.642 32.500 -0.000 0.000 0.821 385 K HN 0.318 nan 8.250 nan 0.000 0.513 386 N N -0.250 118.474 118.700 0.040 0.000 2.628 386 N HA 0.041 4.803 4.740 0.037 0.000 0.299 386 N C 0.238 175.767 175.510 0.032 0.000 1.834 386 N CA -0.078 52.989 53.050 0.029 0.000 0.871 386 N CB 1.346 39.848 38.487 0.026 0.000 1.377 386 N HN -0.213 nan 8.380 nan 0.000 0.493 387 V N -0.495 119.440 119.914 0.035 0.000 2.594 387 V HA -0.095 4.047 4.120 0.037 0.000 0.253 387 V C 2.005 178.114 176.094 0.025 0.000 1.069 387 V CA 2.162 64.482 62.300 0.033 0.000 1.082 387 V CB -0.358 31.487 31.823 0.036 0.000 0.680 387 V HN 0.607 nan 8.190 nan 0.000 0.469 388 G N -1.157 107.656 108.800 0.022 0.000 3.189 388 G HA2 0.083 4.065 3.960 0.037 0.000 0.225 388 G HA3 0.083 4.065 3.960 0.037 0.000 0.225 388 G C 0.556 175.466 174.900 0.016 0.000 1.159 388 G CA 0.586 45.696 45.100 0.017 0.000 0.763 388 G HN 0.423 nan 8.290 nan 0.000 0.549 389 S N 0.408 116.118 115.700 0.017 0.000 2.461 389 S HA 0.319 4.811 4.470 0.037 0.000 0.322 389 S C 1.053 175.663 174.600 0.016 0.000 1.063 389 S CA -0.566 57.643 58.200 0.015 0.000 1.120 389 S CB 0.866 64.075 63.200 0.015 0.000 0.968 389 S HN 0.154 nan 8.310 nan 0.000 0.467 390 E N 3.871 124.080 120.200 0.014 0.000 2.153 390 E HA -0.178 4.194 4.350 0.037 0.000 0.194 390 E C 1.805 178.413 176.600 0.014 0.000 0.988 390 E CA 1.296 57.704 56.400 0.014 0.000 0.811 390 E CB -0.099 29.608 29.700 0.012 0.000 0.746 390 E HN 0.870 nan 8.360 nan 0.000 0.466 391 Q N 0.816 120.624 119.800 0.013 0.000 2.061 391 Q HA -0.100 4.263 4.340 0.037 0.000 0.204 391 Q C 2.213 178.222 176.000 0.015 0.000 0.984 391 Q CA 1.924 57.735 55.803 0.012 0.000 0.846 391 Q CB -0.528 28.216 28.738 0.011 0.000 0.902 391 Q HN 0.247 nan 8.270 nan 0.000 0.421 392 A N 1.144 123.974 122.820 0.016 0.000 1.902 392 A HA -0.106 4.236 4.320 0.037 0.000 0.217 392 A C 2.173 179.770 177.584 0.022 0.000 1.181 392 A CA 1.249 53.298 52.037 0.020 0.000 0.623 392 A CB -0.720 18.293 19.000 0.022 0.000 0.818 392 A HN 0.340 nan 8.150 nan 0.000 0.443 393 L N -0.970 120.266 121.223 0.022 0.000 2.093 393 L HA -0.160 4.202 4.340 0.037 0.000 0.208 393 L C 2.619 179.501 176.870 0.021 0.000 1.085 393 L CA 1.633 56.487 54.840 0.023 0.000 0.755 393 L CB -0.523 41.549 42.059 0.022 0.000 0.904 393 L HN 0.451 nan 8.230 nan 0.000 0.435 394 E N 0.895 121.106 120.200 0.018 0.000 2.072 394 E HA -0.270 4.103 4.350 0.037 0.000 0.191 394 E C 2.014 178.624 176.600 0.016 0.000 0.985 394 E CA 1.521 57.931 56.400 0.016 0.000 0.801 394 E CB -0.040 29.669 29.700 0.014 0.000 0.750 394 E HN 0.409 nan 8.360 nan 0.000 0.452 395 E N -0.294 119.915 120.200 0.016 0.000 2.058 395 E HA -0.266 4.106 4.350 0.037 0.000 0.194 395 E C 1.956 178.568 176.600 0.019 0.000 0.997 395 E CA 1.326 57.735 56.400 0.016 0.000 0.801 395 E CB -0.315 29.394 29.700 0.016 0.000 0.746 395 E HN 0.330 nan 8.360 nan 0.000 0.450 396 A N 1.347 124.181 122.820 0.023 0.000 1.908 396 A HA -0.235 4.108 4.320 0.037 0.000 0.218 396 A C 2.233 179.832 177.584 0.025 0.000 1.181 396 A CA 1.758 53.811 52.037 0.026 0.000 0.627 396 A CB -0.649 18.369 19.000 0.031 0.000 0.818 396 A HN 0.250 nan 8.150 nan 0.000 0.445 397 R N -0.686 119.828 120.500 0.023 0.000 2.083 397 R HA -0.186 4.176 4.340 0.037 0.000 0.237 397 R C 2.479 178.792 176.300 0.021 0.000 1.137 397 R CA 1.947 58.061 56.100 0.023 0.000 0.951 397 R CB -0.283 30.029 30.300 0.020 0.000 0.851 397 R HN 0.724 nan 8.270 nan 0.000 0.434 398 Q N -0.568 119.242 119.800 0.018 0.000 2.124 398 Q HA -0.157 4.206 4.340 0.037 0.000 0.202 398 Q C 2.172 178.180 176.000 0.013 0.000 0.977 398 Q CA 1.500 57.312 55.803 0.015 0.000 0.850 398 Q CB 0.019 28.764 28.738 0.012 0.000 0.901 398 Q HN 0.305 nan 8.270 nan 0.000 0.429 399 R N -0.289 120.219 120.500 0.014 0.000 2.092 399 R HA -0.079 4.284 4.340 0.037 0.000 0.231 399 R C 2.302 178.609 176.300 0.013 0.000 1.119 399 R CA 0.988 57.093 56.100 0.009 0.000 0.970 399 R CB -0.209 30.098 30.300 0.011 0.000 0.864 399 R HN 0.073 nan 8.270 nan 0.000 0.440 400 V N 1.061 120.990 119.914 0.025 0.000 2.295 400 V HA -0.257 3.886 4.120 0.037 0.000 0.246 400 V C 2.438 178.552 176.094 0.034 0.000 1.049 400 V CA 2.027 64.350 62.300 0.039 0.000 1.024 400 V CB -0.745 31.103 31.823 0.043 0.000 0.648 400 V HN 0.416 nan 8.190 nan 0.000 0.447 401 A N 0.028 122.863 122.820 0.025 0.000 1.948 401 A HA -0.209 4.134 4.320 0.037 0.000 0.220 401 A C 2.417 180.011 177.584 0.016 0.000 1.177 401 A CA 2.326 54.376 52.037 0.022 0.000 0.636 401 A CB -0.830 18.183 19.000 0.023 0.000 0.815 401 A HN 0.613 nan 8.150 nan 0.000 0.449 402 A N -0.515 122.309 122.820 0.006 0.000 1.933 402 A HA -0.043 4.300 4.320 0.037 0.000 0.218 402 A C 2.172 179.737 177.584 -0.030 0.000 1.175 402 A CA 1.519 53.550 52.037 -0.009 0.000 0.628 402 A CB -0.522 18.468 19.000 -0.017 0.000 0.814 402 A HN 0.490 nan 8.150 nan 0.000 0.444 403 L N -0.389 120.813 121.223 -0.035 0.000 2.109 403 L HA -0.115 4.247 4.340 0.037 0.000 0.207 403 L C 2.759 179.636 176.870 0.012 0.000 1.086 403 L CA 1.751 56.535 54.840 -0.093 0.000 0.760 403 L CB -0.485 41.532 42.059 -0.070 0.000 0.910 403 L HN 0.639 nan 8.230 nan 0.000 0.437 404 T N -4.192 110.396 114.554 0.057 0.000 3.081 404 T HA 0.048 4.421 4.350 0.037 0.000 0.250 404 T C 0.474 175.146 174.700 -0.046 0.000 1.100 404 T CA 0.145 62.240 62.100 -0.009 0.000 1.038 404 T CB -0.008 68.784 68.868 -0.127 0.000 0.962 404 T HN 0.511 nan 8.240 nan 0.000 0.516 405 D N 0.000 120.416 120.400 0.026 0.000 6.856 405 D HA 0.000 4.662 4.640 0.037 0.000 0.175 405 D CA 0.000 54.041 54.000 0.068 0.000 0.868 405 D CB 0.000 40.856 40.800 0.093 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683