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 2pce_1_D DATA FIRST_RESID 1 DATA SEQUENCE LKITRIDIHR TDLPVRGGVY RLSGGREYHS YDATIVSIET DTGLTGWGES DATA SEQUENCE TPFGSTYIAA HAGGTRAALE LLAPAILGMD PRQHDRIWDR MRDTLKGHRD DATA SEQUENCE ARAALDIACW DIAAQAAGLP LCDMTGGRVA GPVPVISSIG GDTPEAMRAK DATA SEQUENCE VARHRAQGFK GHSIKIGASE AEGGPALDAE RITACLADRQ PGEWYLADAN DATA SEQUENCE NGLTVEHALR MLSLLPPGLD IVLEAPCASW AETKSLRARC ALPLLLDELI DATA SEQUENCE QTETDLIAAI RDDLCDGVGL KVSKQGGITP MLRQRAIAAA AGMVMSVQDT DATA SEQUENCE VGSQISFAAI LHLAQSTPRH LLRCALDTRA MTTAELAEID APLRDGGASA DATA SEQUENCE PSDPGLGLRV NRDALGTPVK TF 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.847 176.870 -0.039 0.000 1.165 1 L CA 0.000 54.818 54.840 -0.036 0.000 0.813 1 L CB 0.000 42.033 42.059 -0.043 0.000 0.961 2 K N 4.520 124.899 120.400 -0.035 0.000 2.501 2 K HA 0.630 4.950 4.320 0.000 0.000 0.252 2 K C -1.119 175.460 176.600 -0.034 0.000 0.934 2 K CA -0.728 55.539 56.287 -0.034 0.000 0.797 2 K CB 2.111 34.595 32.500 -0.027 0.000 1.270 2 K HN 0.579 nan 8.250 nan 0.000 0.431 3 I N 3.057 123.606 120.570 -0.035 0.000 2.517 3 I HA -0.025 4.145 4.170 0.000 0.000 0.285 3 I C 1.395 177.498 176.117 -0.025 0.000 1.106 3 I CA 0.398 61.678 61.300 -0.034 0.000 1.402 3 I CB 0.960 38.939 38.000 -0.036 0.000 1.399 3 I HN 0.815 nan 8.210 nan 0.000 0.535 4 T N 2.726 117.267 114.554 -0.022 0.000 2.978 4 T HA 0.202 4.552 4.350 0.000 0.000 0.248 4 T C 0.659 175.358 174.700 -0.002 0.000 1.018 4 T CA -0.244 61.849 62.100 -0.012 0.000 1.026 4 T CB 0.377 69.237 68.868 -0.013 0.000 1.032 4 T HN 0.565 nan 8.240 nan 0.000 0.485 5 R N 0.134 120.629 120.500 -0.009 0.000 2.626 5 R HA 0.684 5.024 4.340 0.000 0.000 0.274 5 R C -2.149 174.150 176.300 -0.002 0.000 1.031 5 R CA -0.843 55.258 56.100 0.003 0.000 0.898 5 R CB 1.616 31.909 30.300 -0.012 0.000 1.222 5 R HN 0.264 nan 8.270 nan 0.000 0.455 6 I N 3.271 123.867 120.570 0.043 0.000 2.447 6 I HA 0.317 4.487 4.170 0.000 0.000 0.287 6 I C -1.060 175.086 176.117 0.049 0.000 1.023 6 I CA -0.932 60.396 61.300 0.048 0.000 1.083 6 I CB 2.159 40.219 38.000 0.099 0.000 1.245 6 I HN 0.461 nan 8.210 nan 0.000 0.434 7 D N 7.111 127.495 120.400 -0.025 0.000 2.217 7 D HA 0.563 5.203 4.640 0.000 0.000 0.243 7 D C -0.381 175.842 176.300 -0.129 0.000 1.054 7 D CA -0.120 53.813 54.000 -0.112 0.000 0.838 7 D CB 2.534 43.245 40.800 -0.149 0.000 1.162 7 D HN 0.267 nan 8.370 nan 0.000 0.472 8 I N 2.772 123.234 120.570 -0.180 0.000 2.354 8 I HA 0.211 4.381 4.170 0.000 0.000 0.292 8 I C 0.187 176.150 176.117 -0.256 0.000 0.989 8 I CA -0.616 60.630 61.300 -0.091 0.000 1.188 8 I CB 1.133 39.156 38.000 0.039 0.000 1.342 8 I HN 0.158 nan 8.210 nan 0.000 0.457 9 H N 5.575 124.717 119.070 0.120 0.000 2.621 9 H HA 0.537 5.094 4.556 0.000 0.000 0.360 9 H C -0.872 174.516 175.328 0.101 0.000 1.163 9 H CA -0.927 55.190 56.048 0.116 0.000 1.194 9 H CB 2.501 32.358 29.762 0.159 0.000 1.649 9 H HN 0.467 nan 8.280 nan 0.000 0.532 10 R N 1.351 121.968 120.500 0.195 0.000 2.480 10 R HA 0.387 4.727 4.340 0.000 0.000 0.306 10 R C -1.188 175.190 176.300 0.131 0.000 0.958 10 R CA -0.382 55.802 56.100 0.141 0.000 0.861 10 R CB 1.680 32.038 30.300 0.097 0.000 1.171 10 R HN 0.713 nan 8.270 nan 0.000 0.445 11 T N 1.586 116.210 114.554 0.118 0.000 2.900 11 T HA 0.228 4.578 4.350 0.000 0.000 0.303 11 T C -1.585 173.170 174.700 0.091 0.000 1.142 11 T CA -0.717 61.439 62.100 0.094 0.000 1.007 11 T CB 1.649 70.564 68.868 0.079 0.000 1.156 11 T HN 0.719 nan 8.240 nan 0.000 0.490 12 D N 2.044 122.490 120.400 0.078 0.000 2.175 12 D HA 0.542 5.182 4.640 0.000 0.000 0.248 12 D C -0.613 175.741 176.300 0.090 0.000 1.047 12 D CA -0.529 53.520 54.000 0.082 0.000 0.883 12 D CB 0.715 41.549 40.800 0.058 0.000 1.180 12 D HN 0.431 nan 8.370 nan 0.000 0.438 13 L N 4.673 125.974 121.223 0.130 0.000 2.318 13 L HA 0.450 4.790 4.340 0.000 0.000 0.277 13 L C -2.254 174.712 176.870 0.159 0.000 1.008 13 L CA -2.112 52.822 54.840 0.156 0.000 0.846 13 L CB 1.513 43.703 42.059 0.218 0.000 1.220 13 L HN 0.292 nan 8.230 nan 0.000 0.423 14 P HA 0.039 nan 4.420 nan 0.000 0.268 14 P C -0.104 177.256 177.300 0.101 0.000 1.205 14 P CA -0.244 62.892 63.100 0.059 0.000 0.771 14 P CB 0.766 32.492 31.700 0.044 0.000 0.858 15 V N 4.189 124.130 119.914 0.044 0.000 2.673 15 V HA -0.011 4.109 4.120 0.000 0.000 0.303 15 V C 1.104 177.264 176.094 0.110 0.000 1.046 15 V CA 0.403 62.776 62.300 0.120 0.000 1.126 15 V CB -0.263 31.578 31.823 0.030 0.000 0.934 15 V HN 0.499 nan 8.190 nan 0.000 0.487 16 R N 3.296 123.878 120.500 0.136 0.000 2.255 16 R HA 0.571 4.911 4.340 0.000 0.000 0.326 16 R C 0.421 176.758 176.300 0.062 0.000 0.986 16 R CA 0.668 56.816 56.100 0.080 0.000 0.847 16 R CB 0.922 31.262 30.300 0.066 0.000 1.111 16 R HN 1.148 nan 8.270 nan 0.000 0.452 17 G N 2.263 111.083 108.800 0.034 0.000 2.741 17 G HA2 -0.236 3.724 3.960 0.000 0.000 0.222 17 G HA3 -0.236 3.724 3.960 0.000 0.000 0.222 17 G C -0.017 174.882 174.900 -0.003 0.000 1.364 17 G CA -0.628 44.478 45.100 0.009 0.000 0.866 17 G HN 0.907 nan 8.290 nan 0.000 0.555 18 G N -0.978 107.800 108.800 -0.037 0.000 2.484 18 G HA2 0.588 4.548 3.960 0.000 0.000 0.235 18 G HA3 0.588 4.548 3.960 0.000 0.000 0.235 18 G C 0.903 175.762 174.900 -0.068 0.000 1.282 18 G CA 0.817 45.888 45.100 -0.048 0.000 0.857 18 G HN 2.188 nan 8.290 nan 0.000 0.571 19 V N 1.206 121.103 119.914 -0.029 0.000 2.740 19 V HA 0.291 4.411 4.120 0.000 0.000 0.303 19 V C -0.158 175.940 176.094 0.006 0.000 1.054 19 V CA -1.057 61.236 62.300 -0.011 0.000 1.106 19 V CB 0.068 31.807 31.823 -0.139 0.000 0.957 19 V HN 0.478 nan 8.190 nan 0.000 0.486 20 Y N 3.984 124.378 120.300 0.156 0.000 2.425 20 Y HA 0.452 5.002 4.550 0.000 0.000 0.331 20 Y C 1.209 177.247 175.900 0.229 0.000 1.157 20 Y CA 0.102 58.345 58.100 0.238 0.000 1.372 20 Y CB 0.680 39.398 38.460 0.431 0.000 1.253 20 Y HN 0.612 nan 8.280 nan 0.000 0.536 21 R N 5.033 125.720 120.500 0.312 0.000 2.310 21 R HA 0.396 4.736 4.340 0.000 0.000 0.316 21 R C -1.107 175.358 176.300 0.275 0.000 1.004 21 R CA -0.535 55.705 56.100 0.233 0.000 0.900 21 R CB 0.814 31.178 30.300 0.107 0.000 1.152 21 R HN 0.578 nan 8.270 nan 0.000 0.513 22 L N 1.472 122.917 121.223 0.370 0.000 2.456 22 L HA 0.230 4.570 4.340 0.000 0.000 0.257 22 L C 1.124 178.107 176.870 0.188 0.000 1.162 22 L CA -0.468 54.554 54.840 0.303 0.000 0.808 22 L CB 0.855 43.159 42.059 0.407 0.000 1.136 22 L HN 0.645 nan 8.230 nan 0.000 0.466 23 S N 0.112 115.890 115.700 0.130 0.000 2.542 23 S HA 0.131 4.601 4.470 0.000 0.000 0.287 23 S C 1.061 175.704 174.600 0.071 0.000 1.315 23 S CA -0.030 58.212 58.200 0.070 0.000 1.037 23 S CB 0.569 63.782 63.200 0.022 0.000 0.822 23 S HN 1.150 nan 8.310 nan 0.000 0.513 24 G N 1.374 110.197 108.800 0.039 0.000 2.148 24 G HA2 0.161 4.121 3.960 0.000 0.000 0.254 24 G HA3 0.161 4.121 3.960 0.000 0.000 0.254 24 G C 1.160 176.080 174.900 0.034 0.000 0.981 24 G CA 0.472 45.592 45.100 0.033 0.000 0.670 24 G HN 2.529 nan 8.290 nan 0.000 0.528 25 G N -0.967 107.857 108.800 0.040 0.000 2.295 25 G HA2 -0.237 3.723 3.960 0.000 0.000 0.287 25 G HA3 -0.237 3.723 3.960 0.000 0.000 0.287 25 G C 0.178 175.076 174.900 -0.003 0.000 1.055 25 G CA 0.924 46.038 45.100 0.024 0.000 0.922 25 G HN 1.037 nan 8.290 nan 0.000 0.503 26 R N 0.217 120.727 120.500 0.017 0.000 2.255 26 R HA 0.514 4.854 4.340 0.000 0.000 0.326 26 R C 0.101 176.291 176.300 -0.183 0.000 0.986 26 R CA -0.376 55.666 56.100 -0.097 0.000 0.847 26 R CB 1.219 31.546 30.300 0.045 0.000 1.111 26 R HN 0.482 nan 8.270 nan 0.000 0.452 27 E N 2.271 122.207 120.200 -0.440 0.000 2.227 27 E HA 0.310 4.660 4.350 0.000 0.000 0.268 27 E C -1.294 174.851 176.600 -0.759 0.000 0.907 27 E CA -0.837 55.325 56.400 -0.397 0.000 0.786 27 E CB 2.089 31.631 29.700 -0.263 0.000 1.191 27 E HN 0.419 nan 8.360 nan 0.000 0.411 28 Y N 1.150 121.257 120.300 -0.322 0.000 2.349 28 Y HA 0.236 4.786 4.550 0.000 0.000 0.324 28 Y C 0.656 176.245 175.900 -0.518 0.000 1.005 28 Y CA -0.580 57.279 58.100 -0.401 0.000 1.240 28 Y CB 1.002 39.158 38.460 -0.508 0.000 1.117 28 Y HN 0.634 nan 8.280 nan 0.000 0.463 29 H N 0.732 119.681 119.070 -0.202 0.000 2.516 29 H HA 0.199 4.755 4.556 0.000 0.000 0.284 29 H C 0.610 175.754 175.328 -0.307 0.000 0.999 29 H CA 0.970 56.895 56.048 -0.204 0.000 1.303 29 H CB 0.978 30.662 29.762 -0.130 0.000 1.452 29 H HN 0.558 nan 8.280 nan 0.000 0.530 30 S N -0.866 114.650 115.700 -0.307 0.000 2.643 30 S HA 0.493 4.963 4.470 0.000 0.000 0.270 30 S C -1.780 172.538 174.600 -0.470 0.000 1.166 30 S CA -0.927 57.003 58.200 -0.450 0.000 0.815 30 S CB 1.640 64.755 63.200 -0.142 0.000 1.139 30 S HN 0.094 nan 8.310 nan 0.000 0.472 31 Y N 0.468 120.790 120.300 0.037 0.000 2.338 31 Y HA 0.482 5.032 4.550 0.000 0.000 0.333 31 Y C -0.506 175.421 175.900 0.046 0.000 0.968 31 Y CA -0.837 57.279 58.100 0.027 0.000 1.123 31 Y CB 1.597 40.072 38.460 0.025 0.000 1.165 31 Y HN 0.726 nan 8.280 nan 0.000 0.452 32 D N 3.202 123.719 120.400 0.194 0.000 2.393 32 D HA 0.418 5.058 4.640 0.000 0.000 0.232 32 D C -0.608 175.777 176.300 0.141 0.000 1.192 32 D CA 0.053 54.137 54.000 0.140 0.000 0.882 32 D CB 0.654 41.525 40.800 0.118 0.000 1.038 32 D HN 0.640 nan 8.370 nan 0.000 0.499 33 A N 3.291 126.190 122.820 0.132 0.000 2.306 33 A HA 0.599 4.919 4.320 0.000 0.000 0.314 33 A C 0.103 177.760 177.584 0.122 0.000 1.164 33 A CA -0.546 51.564 52.037 0.122 0.000 0.822 33 A CB 0.865 19.933 19.000 0.114 0.000 1.130 33 A HN 0.478 nan 8.150 nan 0.000 0.496 34 T N 2.493 117.122 114.554 0.124 0.000 2.770 34 T HA 0.552 4.902 4.350 0.000 0.000 0.283 34 T C -0.506 174.299 174.700 0.175 0.000 0.988 34 T CA 0.174 62.358 62.100 0.142 0.000 0.957 34 T CB 0.311 69.249 68.868 0.115 0.000 0.930 34 T HN 0.393 nan 8.240 nan 0.000 0.443 35 I N 3.214 123.929 120.570 0.241 0.000 2.406 35 I HA 0.454 4.625 4.170 0.000 0.000 0.290 35 I C -0.391 175.984 176.117 0.429 0.000 0.999 35 I CA -0.762 60.722 61.300 0.307 0.000 1.124 35 I CB 1.901 40.056 38.000 0.258 0.000 1.289 35 I HN 0.305 nan 8.210 nan 0.000 0.441 36 V N 4.807 124.934 119.914 0.356 0.000 2.513 36 V HA 0.598 4.718 4.120 0.000 0.000 0.299 36 V C -0.038 176.133 176.094 0.129 0.000 1.035 36 V CA -0.565 61.889 62.300 0.258 0.000 0.889 36 V CB 1.908 33.816 31.823 0.142 0.000 0.988 36 V HN 0.834 nan 8.190 nan 0.000 0.440 37 S N 5.451 121.087 115.700 -0.107 0.000 2.501 37 S HA 0.817 5.287 4.470 0.000 0.000 0.301 37 S C -0.876 173.526 174.600 -0.329 0.000 1.096 37 S CA -0.691 57.126 58.200 -0.639 0.000 1.063 37 S CB 1.496 63.955 63.200 -1.236 0.000 1.042 37 S HN 0.503 nan 8.310 nan 0.000 0.494 38 I N 1.862 122.226 120.570 -0.343 0.000 2.498 38 I HA 0.455 4.625 4.170 0.000 0.000 0.290 38 I C -0.289 175.717 176.117 -0.186 0.000 1.032 38 I CA -0.560 60.631 61.300 -0.183 0.000 1.073 38 I CB 2.109 40.046 38.000 -0.104 0.000 1.251 38 I HN 0.707 nan 8.210 nan 0.000 0.426 39 E N 3.620 123.747 120.200 -0.121 0.000 2.227 39 E HA 0.506 4.856 4.350 0.000 0.000 0.268 39 E C -0.616 175.950 176.600 -0.057 0.000 0.907 39 E CA -0.709 55.638 56.400 -0.089 0.000 0.786 39 E CB 2.605 32.264 29.700 -0.068 0.000 1.191 39 E HN 0.672 nan 8.360 nan 0.000 0.411 40 T N -2.072 112.455 114.554 -0.045 0.000 2.938 40 T HA 0.135 4.485 4.350 0.000 0.000 0.285 40 T C 0.779 175.464 174.700 -0.025 0.000 1.028 40 T CA -0.759 61.321 62.100 -0.035 0.000 1.005 40 T CB 1.034 69.881 68.868 -0.035 0.000 1.157 40 T HN 0.495 nan 8.240 nan 0.000 0.550 41 D N -0.068 120.319 120.400 -0.022 0.000 2.350 41 D HA -0.098 4.542 4.640 0.000 0.000 0.216 41 D C 1.553 177.845 176.300 -0.013 0.000 0.968 41 D CA 1.256 55.246 54.000 -0.016 0.000 0.894 41 D CB -0.782 40.008 40.800 -0.016 0.000 0.909 41 D HN 0.729 nan 8.370 nan 0.000 0.520 42 T N -4.562 109.983 114.554 -0.014 0.000 3.145 42 T HA 0.465 4.815 4.350 0.000 0.000 0.255 42 T C 1.536 176.233 174.700 -0.006 0.000 1.039 42 T CA 0.077 62.171 62.100 -0.010 0.000 0.928 42 T CB 0.008 68.869 68.868 -0.012 0.000 1.029 42 T HN 0.310 nan 8.240 nan 0.000 0.554 43 G N 1.432 110.228 108.800 -0.008 0.000 2.143 43 G HA2 -0.216 3.744 3.960 0.000 0.000 0.248 43 G HA3 -0.216 3.744 3.960 0.000 0.000 0.248 43 G C -0.085 174.815 174.900 -0.000 0.000 0.991 43 G CA 0.079 45.178 45.100 -0.002 0.000 0.689 43 G HN 0.637 nan 8.290 nan 0.000 0.522 44 L N 0.900 122.117 121.223 -0.009 0.000 2.371 44 L HA 0.555 4.895 4.340 0.000 0.000 0.272 44 L C 0.480 177.332 176.870 -0.030 0.000 1.124 44 L CA -0.141 54.694 54.840 -0.007 0.000 0.816 44 L CB 1.339 43.391 42.059 -0.011 0.000 1.129 44 L HN 0.121 nan 8.230 nan 0.000 0.448 45 T N 1.478 116.016 114.554 -0.026 0.000 2.824 45 T HA 0.559 4.909 4.350 0.000 0.000 0.282 45 T C 0.116 174.734 174.700 -0.138 0.000 0.993 45 T CA -0.595 61.434 62.100 -0.118 0.000 0.967 45 T CB 1.742 70.543 68.868 -0.110 0.000 0.960 45 T HN 0.748 nan 8.240 nan 0.000 0.441 46 G N 1.405 110.057 108.800 -0.246 0.000 2.432 46 G HA2 0.649 4.609 3.960 0.000 0.000 0.331 46 G HA3 0.649 4.609 3.960 0.000 0.000 0.331 46 G C -1.725 172.953 174.900 -0.370 0.000 1.170 46 G CA -0.815 44.194 45.100 -0.152 0.000 0.943 46 G HN 0.651 nan 8.290 nan 0.000 0.483 47 W N -0.107 121.232 121.300 0.065 0.000 2.736 47 W HA 0.653 5.313 4.660 0.000 0.000 0.335 47 W C 0.283 176.848 176.519 0.077 0.000 1.059 47 W CA -0.537 56.849 57.345 0.069 0.000 1.226 47 W CB 2.959 32.449 29.460 0.049 0.000 1.416 47 W HN 0.815 nan 8.180 nan 0.000 0.505 48 G N 1.368 110.364 108.800 0.326 0.000 2.667 48 G HA2 0.580 4.540 3.960 0.000 0.000 0.298 48 G HA3 0.580 4.540 3.960 0.000 0.000 0.298 48 G C -2.093 172.943 174.900 0.227 0.000 1.377 48 G CA -0.674 44.563 45.100 0.228 0.000 0.964 48 G HN 0.390 nan 8.290 nan 0.000 0.493 49 E N -0.115 120.189 120.200 0.172 0.000 2.272 49 E HA 0.621 4.971 4.350 0.000 0.000 0.269 49 E C -1.472 175.199 176.600 0.118 0.000 0.877 49 E CA -0.750 55.740 56.400 0.149 0.000 0.755 49 E CB 2.141 31.916 29.700 0.125 0.000 1.192 49 E HN 0.416 nan 8.360 nan 0.000 0.422 50 S N 2.728 118.496 115.700 0.113 0.000 2.733 50 S HA 0.402 4.872 4.470 0.000 0.000 0.294 50 S C -1.403 173.253 174.600 0.093 0.000 1.149 50 S CA -0.429 57.829 58.200 0.097 0.000 1.034 50 S CB 1.494 64.756 63.200 0.102 0.000 1.015 50 S HN 0.493 nan 8.310 nan 0.000 0.486 51 T N 4.988 119.588 114.554 0.077 0.000 2.930 51 T HA 0.600 4.950 4.350 0.000 0.000 0.313 51 T C -3.075 171.677 174.700 0.088 0.000 1.019 51 T CA -1.765 60.385 62.100 0.085 0.000 1.004 51 T CB 1.039 69.956 68.868 0.082 0.000 0.987 51 T HN 0.364 nan 8.240 nan 0.000 0.456 52 P HA 0.129 nan 4.420 nan 0.000 0.267 52 P C -0.765 176.648 177.300 0.188 0.000 1.200 52 P CA -0.307 62.895 63.100 0.171 0.000 0.772 52 P CB 0.151 31.967 31.700 0.193 0.000 0.855 53 F N 3.765 123.708 119.950 -0.013 0.000 2.509 53 F HA 0.358 4.885 4.527 0.000 0.000 0.350 53 F C 1.391 177.283 175.800 0.154 0.000 1.220 53 F CA 0.689 58.609 58.000 -0.134 0.000 1.151 53 F CB -1.012 37.634 39.000 -0.590 0.000 1.379 53 F HN 0.602 nan 8.300 nan 0.000 0.610 54 G N 3.641 112.531 108.800 0.149 0.000 2.602 54 G HA2 -0.365 3.595 3.960 0.000 0.000 0.317 54 G HA3 -0.365 3.595 3.960 0.000 0.000 0.317 54 G C 0.788 175.874 174.900 0.309 0.000 1.327 54 G CA 0.675 45.951 45.100 0.293 0.000 0.971 54 G HN 1.259 nan 8.290 nan 0.000 0.540 55 S N -2.657 113.212 115.700 0.283 0.000 2.787 55 S HA 0.386 4.856 4.470 0.000 0.000 0.255 55 S C 1.154 175.868 174.600 0.190 0.000 1.051 55 S CA 1.119 59.443 58.200 0.206 0.000 1.124 55 S CB 0.579 63.841 63.200 0.104 0.000 1.104 55 S HN 1.905 nan 8.310 nan 0.000 0.623 56 T N -2.384 112.340 114.554 0.284 0.000 3.087 56 T HA 0.275 4.625 4.350 0.000 0.000 0.283 56 T C 0.845 175.745 174.700 0.333 0.000 0.956 56 T CA -0.203 62.044 62.100 0.245 0.000 0.894 56 T CB -0.443 68.538 68.868 0.189 0.000 1.160 56 T HN 0.288 nan 8.240 nan 0.000 0.532 57 Y N 3.193 123.659 120.300 0.278 0.000 2.230 57 Y HA 0.499 5.049 4.550 0.000 0.000 0.294 57 Y C 0.467 176.437 175.900 0.117 0.000 1.120 57 Y CA -0.017 58.217 58.100 0.223 0.000 1.129 57 Y CB 0.250 38.851 38.460 0.234 0.000 1.040 57 Y HN 0.445 nan 8.280 nan 0.000 0.519 58 I N -2.550 117.981 120.570 -0.066 0.000 3.466 58 I HA 0.716 4.886 4.170 0.000 0.000 0.311 58 I C -0.132 176.004 176.117 0.031 0.000 1.155 58 I CA -1.495 59.725 61.300 -0.133 0.000 0.959 58 I CB 1.510 39.399 38.000 -0.185 0.000 1.332 58 I HN -0.127 nan 8.210 nan 0.000 0.483 59 A N 1.681 124.508 122.820 0.012 0.000 3.052 59 A HA 0.700 5.020 4.320 0.000 0.000 0.266 59 A C 0.217 177.846 177.584 0.075 0.000 1.855 59 A CA 0.448 52.508 52.037 0.039 0.000 1.473 59 A CB -1.782 17.222 19.000 0.005 0.000 1.038 59 A HN 1.083 nan 8.150 nan 0.000 0.619 60 A N 1.447 124.356 122.820 0.148 0.000 2.589 60 A HA 0.781 5.101 4.320 0.000 0.000 0.296 60 A C -0.775 176.982 177.584 0.289 0.000 1.062 60 A CA -0.447 51.702 52.037 0.187 0.000 0.686 60 A CB 0.926 20.016 19.000 0.149 0.000 1.282 60 A HN 1.407 nan 8.150 nan 0.000 0.404 61 H N -1.600 117.538 119.070 0.113 0.000 3.046 61 H HA 0.738 5.294 4.556 0.000 0.000 0.361 61 H C 0.653 176.049 175.328 0.114 0.000 1.235 61 H CA -0.310 55.808 56.048 0.117 0.000 1.146 61 H CB 1.532 31.354 29.762 0.100 0.000 1.859 61 H HN 0.931 nan 8.280 nan 0.000 0.548 62 A N 2.184 125.037 122.820 0.055 0.000 1.927 62 A HA -0.164 4.156 4.320 0.000 0.000 0.220 62 A C 2.316 179.835 177.584 -0.108 0.000 1.185 62 A CA 2.223 54.263 52.037 0.004 0.000 0.639 62 A CB -1.571 17.478 19.000 0.082 0.000 0.820 62 A HN 0.976 nan 8.150 nan 0.000 0.451 63 G N -1.165 107.534 108.800 -0.168 0.000 2.443 63 G HA2 0.098 4.058 3.960 0.000 0.000 0.219 63 G HA3 0.098 4.058 3.960 0.000 0.000 0.219 63 G C 1.435 176.146 174.900 -0.314 0.000 1.131 63 G CA 1.223 46.244 45.100 -0.132 0.000 0.775 63 G HN 0.733 nan 8.290 nan 0.000 0.547 64 G N 0.453 108.713 108.800 -0.899 0.000 2.404 64 G HA2 -0.129 3.831 3.960 0.000 0.000 0.215 64 G HA3 -0.129 3.831 3.960 0.000 0.000 0.215 64 G C 1.830 176.653 174.900 -0.127 0.000 1.174 64 G CA 1.662 46.485 45.100 -0.462 0.000 0.780 64 G HN 0.347 nan 8.290 nan 0.000 0.537 65 T N 0.756 115.244 114.554 -0.111 0.000 2.665 65 T HA -0.136 4.214 4.350 0.000 0.000 0.268 65 T C 2.471 177.174 174.700 0.005 0.000 1.035 65 T CA 1.370 63.471 62.100 0.001 0.000 1.151 65 T CB -0.169 68.715 68.868 0.027 0.000 0.862 65 T HN 0.236 nan 8.240 nan 0.000 0.438 66 R N 0.718 121.213 120.500 -0.007 0.000 2.075 66 R HA 0.083 4.423 4.340 0.000 0.000 0.232 66 R C 2.852 179.163 176.300 0.018 0.000 1.126 66 R CA 1.155 57.269 56.100 0.022 0.000 0.963 66 R CB -0.455 29.863 30.300 0.029 0.000 0.858 66 R HN 0.376 nan 8.270 nan 0.000 0.435 67 A N 1.196 124.013 122.820 -0.005 0.000 1.933 67 A HA -0.117 4.203 4.320 0.000 0.000 0.218 67 A C 2.344 179.902 177.584 -0.044 0.000 1.175 67 A CA 1.658 53.692 52.037 -0.005 0.000 0.628 67 A CB -0.567 18.436 19.000 0.005 0.000 0.814 67 A HN 0.399 nan 8.150 nan 0.000 0.444 68 A N -0.167 122.611 122.820 -0.070 0.000 1.902 68 A HA -0.055 4.265 4.320 0.000 0.000 0.217 68 A C 2.112 179.630 177.584 -0.109 0.000 1.181 68 A CA 1.481 53.430 52.037 -0.147 0.000 0.623 68 A CB -0.618 18.310 19.000 -0.119 0.000 0.818 68 A HN 0.478 nan 8.150 nan 0.000 0.443 69 L N -0.326 120.868 121.223 -0.048 0.000 2.191 69 L HA -0.175 4.165 4.340 0.000 0.000 0.212 69 L C 2.411 179.219 176.870 -0.104 0.000 1.103 69 L CA 1.020 55.830 54.840 -0.050 0.000 0.769 69 L CB -0.524 41.552 42.059 0.029 0.000 0.908 69 L HN 0.383 nan 8.230 nan 0.000 0.438 70 E N 0.140 120.328 120.200 -0.020 0.000 2.209 70 E HA -0.183 4.167 4.350 0.000 0.000 0.196 70 E C 2.215 178.723 176.600 -0.154 0.000 0.993 70 E CA 1.124 57.533 56.400 0.014 0.000 0.819 70 E CB 0.008 29.757 29.700 0.082 0.000 0.745 70 E HN 0.566 nan 8.360 nan 0.000 0.477 71 L N -0.306 120.819 121.223 -0.164 0.000 2.221 71 L HA 0.022 4.362 4.340 0.000 0.000 0.202 71 L C 2.494 179.228 176.870 -0.226 0.000 1.074 71 L CA 0.344 55.076 54.840 -0.179 0.000 0.795 71 L CB -0.263 41.703 42.059 -0.156 0.000 0.960 71 L HN 0.077 nan 8.230 nan 0.000 0.458 72 L N -0.121 120.970 121.223 -0.221 0.000 2.072 72 L HA -0.081 4.259 4.340 0.000 0.000 0.205 72 L C 2.883 179.603 176.870 -0.250 0.000 1.079 72 L CA 1.029 55.749 54.840 -0.200 0.000 0.752 72 L CB -0.622 41.348 42.059 -0.149 0.000 0.906 72 L HN 0.196 nan 8.230 nan 0.000 0.436 73 A N 0.917 123.519 122.820 -0.363 0.000 1.858 73 A HA -0.110 4.210 4.320 0.000 0.000 0.216 73 A C -0.121 177.181 177.584 -0.470 0.000 1.190 73 A CA 1.675 53.462 52.037 -0.415 0.000 0.617 73 A CB -1.909 16.775 19.000 -0.527 0.000 0.827 73 A HN 0.283 nan 8.150 nan 0.000 0.443 74 P HA -0.095 nan 4.420 nan 0.000 0.220 74 P C 1.502 178.677 177.300 -0.209 0.000 1.148 74 P CA 1.736 64.600 63.100 -0.394 0.000 0.803 74 P CB -0.206 31.279 31.700 -0.358 0.000 0.782 75 A N 0.742 123.437 122.820 -0.209 0.000 1.940 75 A HA -0.158 4.162 4.320 0.000 0.000 0.219 75 A C 2.071 179.592 177.584 -0.106 0.000 1.176 75 A CA 1.871 53.825 52.037 -0.138 0.000 0.631 75 A CB -1.481 17.436 19.000 -0.139 0.000 0.814 75 A HN 0.411 nan 8.150 nan 0.000 0.446 76 I N -3.347 117.157 120.570 -0.111 0.000 3.956 76 I HA 0.319 4.489 4.170 0.000 0.000 0.333 76 I C -0.028 176.052 176.117 -0.062 0.000 1.302 76 I CA -0.461 60.793 61.300 -0.075 0.000 1.122 76 I CB -0.103 37.859 38.000 -0.063 0.000 1.013 76 I HN -0.018 nan 8.210 nan 0.000 0.405 77 L N 3.376 124.560 121.223 -0.066 0.000 2.559 77 L HA 0.157 4.497 4.340 0.000 0.000 0.282 77 L C 1.480 178.329 176.870 -0.035 0.000 1.232 77 L CA 1.299 56.115 54.840 -0.040 0.000 0.885 77 L CB 0.103 42.147 42.059 -0.026 0.000 1.131 77 L HN 0.633 nan 8.230 nan 0.000 0.498 78 G N 2.643 111.426 108.800 -0.029 0.000 2.179 78 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 78 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 78 G C 0.246 175.126 174.900 -0.033 0.000 0.977 78 G CA -0.049 45.035 45.100 -0.027 0.000 0.641 78 G HN 0.480 nan 8.290 nan 0.000 0.533 79 M N 0.720 120.298 119.600 -0.037 0.000 2.247 79 M HA 0.324 4.804 4.480 0.000 0.000 0.326 79 M C 0.177 176.448 176.300 -0.047 0.000 1.134 79 M CA -0.514 54.761 55.300 -0.041 0.000 1.136 79 M CB 0.565 33.141 32.600 -0.041 0.000 1.454 79 M HN 0.118 nan 8.290 nan 0.000 0.467 80 D N 3.615 123.983 120.400 -0.055 0.000 2.338 80 D HA 0.118 4.758 4.640 0.000 0.000 0.255 80 D C -1.626 174.625 176.300 -0.082 0.000 1.237 80 D CA -1.905 52.056 54.000 -0.066 0.000 0.883 80 D CB 0.940 41.697 40.800 -0.071 0.000 1.087 80 D HN 0.255 nan 8.370 nan 0.000 0.485 81 P HA -0.095 nan 4.420 nan 0.000 0.228 81 P C 0.750 177.954 177.300 -0.160 0.000 1.151 81 P CA 0.591 63.632 63.100 -0.098 0.000 0.770 81 P CB 0.313 31.964 31.700 -0.081 0.000 0.786 82 R N -0.385 120.016 120.500 -0.165 0.000 2.275 82 R HA 0.066 4.406 4.340 0.000 0.000 0.199 82 R C 1.198 177.331 176.300 -0.278 0.000 0.989 82 R CA 0.435 56.401 56.100 -0.223 0.000 1.016 82 R CB -0.237 29.965 30.300 -0.164 0.000 0.918 82 R HN 0.363 nan 8.270 nan 0.000 0.473 83 Q N 1.348 121.005 119.800 -0.238 0.000 2.963 83 Q HA 0.042 4.382 4.340 0.000 0.000 0.262 83 Q C 0.548 176.385 176.000 -0.272 0.000 1.318 83 Q CA -0.260 55.369 55.803 -0.290 0.000 1.089 83 Q CB 0.458 29.090 28.738 -0.177 0.000 1.424 83 Q HN 0.539 nan 8.270 nan 0.000 0.560 84 H N -0.179 118.790 119.070 -0.169 0.000 2.352 84 H HA -0.139 4.417 4.556 0.000 0.000 0.299 84 H C 0.271 175.652 175.328 0.087 0.000 1.097 84 H CA 1.138 57.135 56.048 -0.084 0.000 1.311 84 H CB 0.259 29.933 29.762 -0.146 0.000 1.377 84 H HN 0.360 nan 8.280 nan 0.000 0.504 85 D N 0.794 121.205 120.400 0.019 0.000 2.144 85 D HA -0.070 4.570 4.640 0.000 0.000 0.200 85 D C 2.392 178.777 176.300 0.143 0.000 0.978 85 D CA 0.516 54.608 54.000 0.153 0.000 0.833 85 D CB -0.042 40.805 40.800 0.078 0.000 0.961 85 D HN 0.272 nan 8.370 nan 0.000 0.470 86 R N 0.346 120.863 120.500 0.027 0.000 2.115 86 R HA 0.061 4.401 4.340 0.000 0.000 0.226 86 R C 2.483 178.815 176.300 0.053 0.000 1.100 86 R CA 0.221 56.339 56.100 0.029 0.000 0.980 86 R CB -0.648 29.636 30.300 -0.026 0.000 0.875 86 R HN 0.313 nan 8.270 nan 0.000 0.445 87 I N -0.151 120.459 120.570 0.067 0.000 2.252 87 I HA -0.249 3.921 4.170 0.000 0.000 0.245 87 I C 2.480 178.678 176.117 0.136 0.000 1.102 87 I CA 0.988 62.332 61.300 0.074 0.000 1.385 87 I CB -0.303 37.739 38.000 0.071 0.000 1.064 87 I HN 0.269 nan 8.210 nan 0.000 0.414 88 W N 2.354 123.679 121.300 0.042 0.000 2.335 88 W HA -0.271 4.389 4.660 0.000 0.000 0.311 88 W C 1.964 178.504 176.519 0.034 0.000 1.213 88 W CA 1.891 59.272 57.345 0.059 0.000 1.274 88 W CB -0.251 29.266 29.460 0.095 0.000 1.148 88 W HN 0.206 nan 8.180 nan 0.000 0.498 89 D N -0.016 120.480 120.400 0.161 0.000 2.144 89 D HA -0.205 4.435 4.640 0.000 0.000 0.199 89 D C 2.048 178.321 176.300 -0.045 0.000 0.984 89 D CA 1.723 55.749 54.000 0.044 0.000 0.834 89 D CB -0.448 40.399 40.800 0.078 0.000 0.955 89 D HN 0.083 nan 8.370 nan 0.000 0.465 90 R N 0.409 120.888 120.500 -0.036 0.000 2.081 90 R HA 0.012 4.352 4.340 0.000 0.000 0.235 90 R C 2.161 178.394 176.300 -0.113 0.000 1.131 90 R CA 1.162 57.225 56.100 -0.062 0.000 0.960 90 R CB -0.414 29.858 30.300 -0.047 0.000 0.856 90 R HN 0.160 nan 8.270 nan 0.000 0.436 91 M N -0.314 119.189 119.600 -0.161 0.000 2.156 91 M HA -0.064 4.416 4.480 0.000 0.000 0.264 91 M C 2.288 178.426 176.300 -0.269 0.000 1.067 91 M CA 1.651 56.817 55.300 -0.223 0.000 1.131 91 M CB -0.242 32.193 32.600 -0.275 0.000 1.368 91 M HN 0.104 nan 8.290 nan 0.000 0.416 92 R N 0.576 120.867 120.500 -0.349 0.000 2.096 92 R HA -0.171 4.169 4.340 0.000 0.000 0.240 92 R C 1.537 177.753 176.300 -0.140 0.000 1.139 92 R CA 1.611 57.553 56.100 -0.263 0.000 0.952 92 R CB -0.574 29.585 30.300 -0.235 0.000 0.854 92 R HN 0.374 nan 8.270 nan 0.000 0.436 93 D N -0.736 119.598 120.400 -0.110 0.000 2.310 93 D HA -0.075 4.565 4.640 0.000 0.000 0.212 93 D C 1.460 177.713 176.300 -0.078 0.000 0.965 93 D CA 1.156 55.111 54.000 -0.074 0.000 0.879 93 D CB -0.044 40.723 40.800 -0.056 0.000 0.921 93 D HN 0.226 nan 8.370 nan 0.000 0.510 94 T N -0.194 114.299 114.554 -0.102 0.000 3.010 94 T HA 0.143 4.493 4.350 0.000 0.000 0.252 94 T C 0.508 175.145 174.700 -0.106 0.000 1.047 94 T CA 0.098 62.136 62.100 -0.103 0.000 1.140 94 T CB 0.563 69.359 68.868 -0.122 0.000 0.885 94 T HN -0.036 nan 8.240 nan 0.000 0.464 95 L N 1.120 122.274 121.223 -0.115 0.000 2.710 95 L HA 0.398 4.738 4.340 0.000 0.000 0.262 95 L C -1.290 175.546 176.870 -0.057 0.000 0.940 95 L CA -0.684 54.093 54.840 -0.105 0.000 0.944 95 L CB 1.423 43.376 42.059 -0.177 0.000 1.348 95 L HN -0.230 nan 8.230 nan 0.000 0.425 96 K N 3.034 123.437 120.400 0.005 0.000 2.355 96 K HA 0.574 4.894 4.320 0.000 0.000 0.270 96 K C 0.823 177.510 176.600 0.144 0.000 1.003 96 K CA 0.783 57.093 56.287 0.038 0.000 0.957 96 K CB 0.545 33.070 32.500 0.041 0.000 0.939 96 K HN 0.988 nan 8.250 nan 0.000 0.482 97 G N 1.731 110.571 108.800 0.067 0.000 2.582 97 G HA2 -0.370 3.590 3.960 0.000 0.000 0.288 97 G HA3 -0.370 3.590 3.960 0.000 0.000 0.288 97 G C -0.472 174.499 174.900 0.119 0.000 1.247 97 G CA 0.523 45.652 45.100 0.049 0.000 0.972 97 G HN 0.992 nan 8.290 nan 0.000 0.557 98 H N -0.725 118.346 119.070 0.003 0.000 2.626 98 H HA -0.157 4.399 4.556 0.000 0.000 0.317 98 H C 1.764 177.096 175.328 0.007 0.000 1.140 98 H CA 1.250 57.301 56.048 0.005 0.000 1.134 98 H CB -1.131 28.621 29.762 -0.016 0.000 1.486 98 H HN 0.644 nan 8.280 nan 0.000 0.417 99 R N 0.633 121.191 120.500 0.096 0.000 2.193 99 R HA -0.132 4.208 4.340 0.000 0.000 0.229 99 R C 1.837 178.220 176.300 0.139 0.000 1.110 99 R CA 1.466 57.645 56.100 0.133 0.000 0.988 99 R CB -0.040 30.367 30.300 0.178 0.000 0.871 99 R HN 0.680 nan 8.270 nan 0.000 0.458 100 D N 0.476 120.948 120.400 0.119 0.000 2.144 100 D HA -0.172 4.468 4.640 0.000 0.000 0.199 100 D C 1.572 177.938 176.300 0.109 0.000 0.984 100 D CA 1.452 55.520 54.000 0.114 0.000 0.834 100 D CB -0.121 40.743 40.800 0.107 0.000 0.955 100 D HN 0.247 nan 8.370 nan 0.000 0.465 101 A N 1.047 123.931 122.820 0.106 0.000 1.903 101 A HA -0.032 4.288 4.320 0.000 0.000 0.213 101 A C 2.383 180.008 177.584 0.067 0.000 1.185 101 A CA 0.575 52.658 52.037 0.077 0.000 0.628 101 A CB -0.372 18.661 19.000 0.056 0.000 0.830 101 A HN 0.059 nan 8.150 nan 0.000 0.446 102 R N -0.108 120.430 120.500 0.064 0.000 2.103 102 R HA -0.178 4.162 4.340 0.000 0.000 0.242 102 R C 2.420 178.823 176.300 0.173 0.000 1.142 102 R CA 1.333 57.480 56.100 0.079 0.000 0.960 102 R CB -0.548 29.766 30.300 0.023 0.000 0.858 102 R HN 0.508 nan 8.270 nan 0.000 0.439 103 A N 1.362 124.288 122.820 0.178 0.000 1.908 103 A HA -0.152 4.168 4.320 0.000 0.000 0.218 103 A C 2.415 180.091 177.584 0.155 0.000 1.181 103 A CA 1.817 53.960 52.037 0.177 0.000 0.627 103 A CB -0.646 18.437 19.000 0.139 0.000 0.818 103 A HN 0.420 nan 8.150 nan 0.000 0.445 104 A N -0.322 122.579 122.820 0.134 0.000 1.898 104 A HA -0.005 4.315 4.320 0.000 0.000 0.216 104 A C 2.173 179.835 177.584 0.130 0.000 1.181 104 A CA 1.495 53.612 52.037 0.133 0.000 0.620 104 A CB -0.583 18.492 19.000 0.125 0.000 0.819 104 A HN 0.482 nan 8.150 nan 0.000 0.442 105 L N -0.852 120.439 121.223 0.113 0.000 2.056 105 L HA -0.152 4.188 4.340 0.000 0.000 0.207 105 L C 2.368 179.324 176.870 0.144 0.000 1.078 105 L CA 1.731 56.629 54.840 0.097 0.000 0.749 105 L CB -0.669 41.426 42.059 0.059 0.000 0.901 105 L HN 0.449 nan 8.230 nan 0.000 0.433 106 D N 0.610 121.134 120.400 0.207 0.000 2.117 106 D HA -0.186 4.454 4.640 0.000 0.000 0.197 106 D C 2.174 178.676 176.300 0.337 0.000 0.987 106 D CA 1.235 55.418 54.000 0.304 0.000 0.829 106 D CB 0.051 41.076 40.800 0.374 0.000 0.961 106 D HN 0.221 nan 8.370 nan 0.000 0.460 107 I N 0.415 121.130 120.570 0.243 0.000 2.226 107 I HA -0.226 3.944 4.170 0.000 0.000 0.245 107 I C 2.451 178.699 176.117 0.218 0.000 1.100 107 I CA 1.104 62.533 61.300 0.216 0.000 1.374 107 I CB -0.278 37.808 38.000 0.144 0.000 1.057 107 I HN 0.073 nan 8.210 nan 0.000 0.413 108 A N -0.284 122.634 122.820 0.164 0.000 1.930 108 A HA -0.213 4.108 4.320 0.000 0.000 0.217 108 A C 2.428 180.058 177.584 0.077 0.000 1.175 108 A CA 1.711 53.809 52.037 0.101 0.000 0.627 108 A CB -1.179 17.841 19.000 0.033 0.000 0.815 108 A HN 0.544 nan 8.150 nan 0.000 0.443 109 C N -2.839 116.514 119.300 0.088 0.000 2.429 109 C HA -0.140 4.320 4.460 0.000 0.000 0.277 109 C C 2.366 177.353 174.990 -0.005 0.000 1.262 109 C CA 0.539 59.567 59.018 0.018 0.000 1.733 109 C CB -1.762 25.975 27.740 -0.006 0.000 2.010 109 C HN 0.833 nan 8.230 nan 0.000 0.483 110 W N 1.138 122.453 121.300 0.024 0.000 2.374 110 W HA -0.094 4.566 4.660 0.000 0.000 0.288 110 W C 2.260 178.768 176.519 -0.017 0.000 1.218 110 W CA 1.709 59.055 57.345 0.001 0.000 1.245 110 W CB -0.543 28.901 29.460 -0.027 0.000 1.126 110 W HN 0.354 nan 8.180 nan 0.000 0.545 111 D N 0.251 120.775 120.400 0.207 0.000 2.097 111 D HA -0.186 4.454 4.640 0.000 0.000 0.195 111 D C 1.906 178.247 176.300 0.068 0.000 0.989 111 D CA 1.644 55.716 54.000 0.120 0.000 0.827 111 D CB -0.379 40.501 40.800 0.133 0.000 0.966 111 D HN 0.109 nan 8.370 nan 0.000 0.456 112 I N 0.674 121.266 120.570 0.037 0.000 2.127 112 I HA -0.292 3.878 4.170 0.000 0.000 0.241 112 I C 2.599 178.705 176.117 -0.018 0.000 1.075 112 I CA 1.256 62.555 61.300 -0.002 0.000 1.334 112 I CB -0.467 37.514 38.000 -0.031 0.000 1.040 112 I HN 0.025 nan 8.210 nan 0.000 0.405 113 A N 0.812 123.602 122.820 -0.050 0.000 1.884 113 A HA -0.292 4.028 4.320 0.000 0.000 0.219 113 A C 2.528 180.099 177.584 -0.022 0.000 1.197 113 A CA 2.481 54.466 52.037 -0.087 0.000 0.637 113 A CB -1.104 17.753 19.000 -0.238 0.000 0.827 113 A HN 0.481 nan 8.150 nan 0.000 0.450 114 A N -1.112 121.727 122.820 0.031 0.000 1.902 114 A HA -0.197 4.123 4.320 0.000 0.000 0.217 114 A C 2.131 179.725 177.584 0.017 0.000 1.181 114 A CA 1.685 53.747 52.037 0.042 0.000 0.623 114 A CB -0.586 18.443 19.000 0.049 0.000 0.818 114 A HN 0.680 nan 8.150 nan 0.000 0.443 115 Q N -0.599 119.211 119.800 0.016 0.000 2.050 115 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 115 Q C 2.416 178.421 176.000 0.008 0.000 0.980 115 Q CA 1.453 57.266 55.803 0.016 0.000 0.840 115 Q CB -0.437 28.316 28.738 0.024 0.000 0.898 115 Q HN 0.675 nan 8.270 nan 0.000 0.424 116 A N 0.913 123.731 122.820 -0.002 0.000 1.978 116 A HA -0.141 4.179 4.320 0.000 0.000 0.220 116 A C 2.128 179.709 177.584 -0.006 0.000 1.170 116 A CA 1.706 53.738 52.037 -0.009 0.000 0.636 116 A CB -0.543 18.442 19.000 -0.024 0.000 0.810 116 A HN 0.401 nan 8.150 nan 0.000 0.448 117 A N -2.020 120.799 122.820 -0.002 0.000 2.238 117 A HA 0.432 4.752 4.320 0.000 0.000 0.210 117 A C 1.754 179.343 177.584 0.009 0.000 1.179 117 A CA 1.117 53.156 52.037 0.003 0.000 0.827 117 A CB -0.791 18.214 19.000 0.009 0.000 0.856 117 A HN 1.893 nan 8.150 nan 0.000 0.488 118 G N -0.655 108.151 108.800 0.010 0.000 2.221 118 G HA2 -0.215 3.745 3.960 0.000 0.000 0.265 118 G HA3 -0.215 3.745 3.960 0.000 0.000 0.265 118 G C -0.108 174.801 174.900 0.015 0.000 1.041 118 G CA 0.672 45.779 45.100 0.013 0.000 0.807 118 G HN 0.488 nan 8.290 nan 0.000 0.502 119 L N 0.349 121.581 121.223 0.016 0.000 2.342 119 L HA 0.583 4.923 4.340 0.000 0.000 0.271 119 L C -1.879 174.993 176.870 0.003 0.000 1.008 119 L CA -2.747 52.103 54.840 0.017 0.000 0.818 119 L CB 2.323 44.396 42.059 0.023 0.000 1.296 119 L HN -0.113 nan 8.230 nan 0.000 0.427 120 P HA 0.011 nan 4.420 nan 0.000 0.272 120 P C 0.505 177.743 177.300 -0.104 0.000 1.223 120 P CA -0.435 62.650 63.100 -0.025 0.000 0.784 120 P CB 1.101 32.864 31.700 0.106 0.000 0.923 121 L N 3.737 124.720 121.223 -0.399 0.000 2.127 121 L HA -0.188 4.152 4.340 0.000 0.000 0.211 121 L C 2.326 179.143 176.870 -0.088 0.000 1.089 121 L CA 2.058 56.722 54.840 -0.293 0.000 0.757 121 L CB -1.274 40.502 42.059 -0.471 0.000 0.899 121 L HN 0.547 nan 8.230 nan 0.000 0.434 122 C N -2.222 117.136 119.300 0.097 0.000 2.419 122 C HA -0.051 4.409 4.460 0.000 0.000 0.281 122 C C 1.969 176.980 174.990 0.034 0.000 1.336 122 C CA 0.463 59.542 59.018 0.102 0.000 1.770 122 C CB -1.443 26.386 27.740 0.149 0.000 1.929 122 C HN 0.526 nan 8.230 nan 0.000 0.509 123 D N 0.373 120.797 120.400 0.039 0.000 2.349 123 D HA 0.094 4.734 4.640 0.000 0.000 0.215 123 D C 2.009 178.331 176.300 0.036 0.000 1.016 123 D CA 0.612 54.629 54.000 0.029 0.000 0.870 123 D CB -0.104 40.715 40.800 0.030 0.000 0.917 123 D HN 0.494 nan 8.370 nan 0.000 0.524 124 M N -0.197 119.431 119.600 0.046 0.000 2.492 124 M HA 0.025 4.505 4.480 0.000 0.000 0.255 124 M C 1.084 177.451 176.300 0.111 0.000 1.139 124 M CA 0.760 56.126 55.300 0.109 0.000 1.096 124 M CB -0.045 32.665 32.600 0.182 0.000 1.360 124 M HN -0.065 nan 8.290 nan 0.000 0.480 125 T N -2.656 111.899 114.554 0.002 0.000 3.258 125 T HA 0.555 4.905 4.350 0.000 0.000 0.259 125 T C 1.068 175.730 174.700 -0.064 0.000 0.963 125 T CA 0.387 62.432 62.100 -0.091 0.000 0.919 125 T CB 0.088 68.816 68.868 -0.234 0.000 1.110 125 T HN 0.524 nan 8.240 nan 0.000 0.550 126 G N -0.207 108.583 108.800 -0.016 0.000 2.391 126 G HA2 0.320 4.280 3.960 0.000 0.000 0.204 126 G HA3 0.320 4.280 3.960 0.000 0.000 0.204 126 G C 0.602 175.498 174.900 -0.006 0.000 1.012 126 G CA -0.128 44.964 45.100 -0.014 0.000 0.651 126 G HN 1.998 nan 8.290 nan 0.000 0.494 127 G N -0.693 108.103 108.800 -0.006 0.000 2.592 127 G HA2 0.397 4.357 3.960 0.000 0.000 0.685 127 G HA3 0.397 4.357 3.960 0.000 0.000 0.685 127 G C -0.392 174.504 174.900 -0.008 0.000 1.278 127 G CA 0.426 45.526 45.100 -0.000 0.000 0.822 127 G HN 1.089 nan 8.290 nan 0.000 0.652 128 R N 0.541 121.040 120.500 -0.002 0.000 2.484 128 R HA 0.365 4.705 4.340 0.000 0.000 0.293 128 R C 0.465 176.753 176.300 -0.020 0.000 1.023 128 R CA -0.217 55.876 56.100 -0.011 0.000 1.037 128 R CB 0.287 30.584 30.300 -0.005 0.000 0.951 128 R HN 0.475 nan 8.270 nan 0.000 0.418 129 V N 4.099 123.995 119.914 -0.030 0.000 2.607 129 V HA 0.337 4.457 4.120 0.000 0.000 0.289 129 V C 0.503 176.577 176.094 -0.033 0.000 1.053 129 V CA -0.501 61.781 62.300 -0.030 0.000 0.996 129 V CB 1.378 33.179 31.823 -0.037 0.000 0.995 129 V HN 0.965 nan 8.190 nan 0.000 0.476 130 A N 3.290 126.093 122.820 -0.027 0.000 2.388 130 A HA 0.736 5.056 4.320 0.000 0.000 0.257 130 A C 0.707 178.271 177.584 -0.034 0.000 1.095 130 A CA 0.527 52.547 52.037 -0.027 0.000 0.791 130 A CB -0.082 18.905 19.000 -0.021 0.000 1.029 130 A HN 2.178 nan 8.150 nan 0.000 0.489 131 G N 1.862 110.640 108.800 -0.036 0.000 2.663 131 G HA2 0.056 4.016 3.960 0.000 0.000 0.686 131 G HA3 0.056 4.016 3.960 0.000 0.000 0.686 131 G C -2.941 171.929 174.900 -0.051 0.000 1.246 131 G CA -0.467 44.608 45.100 -0.041 0.000 0.795 131 G HN 0.825 nan 8.290 nan 0.000 0.627 132 P HA 0.392 nan 4.420 nan 0.000 0.272 132 P C 0.265 177.524 177.300 -0.068 0.000 1.223 132 P CA -0.228 62.836 63.100 -0.060 0.000 0.784 132 P CB 1.071 32.736 31.700 -0.059 0.000 0.923 133 V N 5.143 125.013 119.914 -0.073 0.000 2.488 133 V HA 0.134 4.254 4.120 0.000 0.000 0.277 133 V C -1.851 174.203 176.094 -0.067 0.000 1.046 133 V CA -1.428 60.825 62.300 -0.079 0.000 0.986 133 V CB 0.367 32.137 31.823 -0.088 0.000 0.989 133 V HN 0.561 nan 8.190 nan 0.000 0.475 134 P HA 0.130 nan 4.420 nan 0.000 0.268 134 P C -0.707 176.572 177.300 -0.036 0.000 1.205 134 P CA 0.132 63.188 63.100 -0.072 0.000 0.771 134 P CB 0.555 32.196 31.700 -0.098 0.000 0.858 135 V N 4.740 124.661 119.914 0.012 0.000 2.581 135 V HA 0.354 4.474 4.120 0.000 0.000 0.303 135 V C 0.490 176.680 176.094 0.161 0.000 1.041 135 V CA -0.812 61.545 62.300 0.095 0.000 0.907 135 V CB 1.896 33.808 31.823 0.149 0.000 0.994 135 V HN 0.465 nan 8.190 nan 0.000 0.442 136 I N 3.425 124.044 120.570 0.082 0.000 2.472 136 I HA 0.383 4.553 4.170 0.000 0.000 0.290 136 I C 0.604 176.639 176.117 -0.137 0.000 1.016 136 I CA 0.483 61.791 61.300 0.013 0.000 1.348 136 I CB 1.543 39.555 38.000 0.019 0.000 1.417 136 I HN 0.807 nan 8.210 nan 0.000 0.521 137 S N 5.462 120.991 115.700 -0.286 0.000 2.462 137 S HA 0.519 4.989 4.470 0.000 0.000 0.294 137 S C -0.477 174.004 174.600 -0.198 0.000 1.144 137 S CA -0.623 57.225 58.200 -0.588 0.000 1.088 137 S CB 1.169 63.984 63.200 -0.642 0.000 1.009 137 S HN 0.585 nan 8.310 nan 0.000 0.484 138 S N 4.104 119.690 115.700 -0.191 0.000 2.508 138 S HA 0.571 5.041 4.470 0.000 0.000 0.284 138 S C -0.388 174.277 174.600 0.108 0.000 1.192 138 S CA -0.836 57.377 58.200 0.021 0.000 1.070 138 S CB 0.579 63.841 63.200 0.104 0.000 1.004 138 S HN 0.725 nan 8.310 nan 0.000 0.493 139 I N 2.954 123.595 120.570 0.117 0.000 2.495 139 I HA 0.302 4.472 4.170 0.000 0.000 0.277 139 I C 0.931 177.083 176.117 0.058 0.000 1.045 139 I CA -0.284 61.068 61.300 0.087 0.000 1.135 139 I CB 0.374 38.422 38.000 0.080 0.000 1.241 139 I HN 0.752 nan 8.210 nan 0.000 0.469 140 G N 3.738 112.540 108.800 0.004 0.000 2.636 140 G HA2 0.356 4.316 3.960 0.000 0.000 0.246 140 G HA3 0.356 4.316 3.960 0.000 0.000 0.246 140 G C 0.491 175.404 174.900 0.021 0.000 1.216 140 G CA -0.341 44.761 45.100 0.002 0.000 0.854 140 G HN 0.709 nan 8.290 nan 0.000 0.572 141 G N -0.110 108.721 108.800 0.051 0.000 2.334 141 G HA2 0.441 4.401 3.960 0.000 0.000 0.261 141 G HA3 0.441 4.401 3.960 0.000 0.000 0.261 141 G C -0.544 174.369 174.900 0.021 0.000 1.257 141 G CA 0.163 45.289 45.100 0.044 0.000 0.935 141 G HN 0.638 nan 8.290 nan 0.000 0.480 142 D N -0.405 120.001 120.400 0.011 0.000 2.946 142 D HA 0.422 5.062 4.640 0.000 0.000 0.337 142 D C 0.521 176.820 176.300 -0.002 0.000 1.332 142 D CA -0.084 53.916 54.000 -0.000 0.000 0.935 142 D CB 0.677 41.469 40.800 -0.014 0.000 1.440 142 D HN 0.532 nan 8.370 nan 0.000 0.540 143 T N -0.930 113.619 114.554 -0.008 0.000 2.903 143 T HA 0.249 4.600 4.350 0.000 0.000 0.314 143 T C -1.786 172.903 174.700 -0.017 0.000 1.078 143 T CA -0.663 61.431 62.100 -0.010 0.000 1.114 143 T CB 0.927 69.787 68.868 -0.013 0.000 0.987 143 T HN 0.102 nan 8.240 nan 0.000 0.548 144 P HA -0.175 nan 4.420 nan 0.000 0.216 144 P C 1.304 178.584 177.300 -0.034 0.000 1.157 144 P CA 1.590 64.674 63.100 -0.027 0.000 0.880 144 P CB 0.013 31.697 31.700 -0.027 0.000 0.791 145 E N -0.482 119.700 120.200 -0.031 0.000 2.072 145 E HA -0.080 4.270 4.350 0.000 0.000 0.191 145 E C 2.156 178.733 176.600 -0.039 0.000 0.985 145 E CA 1.128 57.508 56.400 -0.033 0.000 0.801 145 E CB -0.778 28.906 29.700 -0.027 0.000 0.750 145 E HN 0.152 nan 8.360 nan 0.000 0.452 146 A N 1.419 124.218 122.820 -0.036 0.000 1.902 146 A HA -0.169 4.151 4.320 0.000 0.000 0.217 146 A C 2.228 179.779 177.584 -0.055 0.000 1.181 146 A CA 1.399 53.411 52.037 -0.042 0.000 0.623 146 A CB -0.463 18.517 19.000 -0.035 0.000 0.818 146 A HN 0.132 nan 8.150 nan 0.000 0.443 147 M N -1.499 118.072 119.600 -0.047 0.000 2.099 147 M HA -0.127 4.353 4.480 0.000 0.000 0.262 147 M C 2.437 178.695 176.300 -0.070 0.000 1.067 147 M CA 1.783 57.052 55.300 -0.051 0.000 1.124 147 M CB -0.367 32.213 32.600 -0.033 0.000 1.353 147 M HN 0.474 nan 8.290 nan 0.000 0.410 148 R N 0.538 120.998 120.500 -0.065 0.000 2.105 148 R HA -0.168 4.172 4.340 0.000 0.000 0.239 148 R C 2.079 178.332 176.300 -0.079 0.000 1.135 148 R CA 1.757 57.814 56.100 -0.071 0.000 0.967 148 R CB -0.213 30.052 30.300 -0.059 0.000 0.861 148 R HN 0.380 nan 8.270 nan 0.000 0.442 149 A N 0.814 123.588 122.820 -0.077 0.000 1.897 149 A HA -0.162 4.158 4.320 0.000 0.000 0.215 149 A C 2.060 179.566 177.584 -0.130 0.000 1.181 149 A CA 1.471 53.459 52.037 -0.082 0.000 0.620 149 A CB -0.366 18.595 19.000 -0.066 0.000 0.821 149 A HN 0.332 nan 8.150 nan 0.000 0.443 150 K N -0.379 119.921 120.400 -0.166 0.000 2.097 150 K HA -0.077 4.243 4.320 0.000 0.000 0.206 150 K C 1.770 178.134 176.600 -0.394 0.000 1.049 150 K CA 1.432 57.535 56.287 -0.306 0.000 0.933 150 K CB -0.238 32.108 32.500 -0.257 0.000 0.717 150 K HN 0.216 nan 8.250 nan 0.000 0.442 151 V N 0.965 120.739 119.914 -0.233 0.000 2.295 151 V HA -0.252 3.868 4.120 0.000 0.000 0.246 151 V C 2.318 178.340 176.094 -0.120 0.000 1.049 151 V CA 2.009 64.170 62.300 -0.232 0.000 1.024 151 V CB -0.651 31.036 31.823 -0.228 0.000 0.648 151 V HN 0.494 nan 8.190 nan 0.000 0.447 152 A N 0.240 123.011 122.820 -0.081 0.000 1.940 152 A HA -0.289 4.031 4.320 0.000 0.000 0.219 152 A C 2.357 179.943 177.584 0.004 0.000 1.176 152 A CA 2.292 54.318 52.037 -0.017 0.000 0.631 152 A CB -0.554 18.432 19.000 -0.023 0.000 0.814 152 A HN 0.579 nan 8.150 nan 0.000 0.446 153 R N -0.944 119.517 120.500 -0.066 0.000 2.062 153 R HA -0.150 4.190 4.340 0.000 0.000 0.231 153 R C 2.021 178.368 176.300 0.079 0.000 1.136 153 R CA 1.921 57.992 56.100 -0.048 0.000 0.948 153 R CB -0.649 29.559 30.300 -0.155 0.000 0.845 153 R HN 0.721 nan 8.270 nan 0.000 0.430 154 H N -0.511 118.630 119.070 0.119 0.000 2.353 154 H HA -0.098 4.458 4.556 0.000 0.000 0.300 154 H C 2.295 177.865 175.328 0.403 0.000 1.090 154 H CA 1.395 57.600 56.048 0.261 0.000 1.327 154 H CB -0.097 29.730 29.762 0.108 0.000 1.383 154 H HN 0.230 nan 8.280 nan 0.000 0.508 155 R N 1.201 121.946 120.500 0.409 0.000 2.113 155 R HA -0.228 4.112 4.340 0.000 0.000 0.244 155 R C 2.456 178.885 176.300 0.215 0.000 1.142 155 R CA 1.492 57.779 56.100 0.310 0.000 0.953 155 R CB -0.372 30.053 30.300 0.208 0.000 0.860 155 R HN 0.345 nan 8.270 nan 0.000 0.438 156 A N 0.755 123.678 122.820 0.171 0.000 1.940 156 A HA -0.210 4.110 4.320 0.000 0.000 0.219 156 A C 1.942 179.598 177.584 0.120 0.000 1.176 156 A CA 1.655 53.763 52.037 0.119 0.000 0.631 156 A CB -0.414 18.639 19.000 0.088 0.000 0.814 156 A HN 0.606 nan 8.150 nan 0.000 0.446 157 Q N -1.698 118.220 119.800 0.196 0.000 2.472 157 Q HA 0.254 4.594 4.340 0.000 0.000 0.208 157 Q C 1.091 177.073 176.000 -0.031 0.000 0.958 157 Q CA 0.440 56.328 55.803 0.142 0.000 0.932 157 Q CB 0.039 28.964 28.738 0.312 0.000 1.007 157 Q HN 0.915 nan 8.270 nan 0.000 0.508 158 G N 0.415 109.229 108.800 0.025 0.000 2.148 158 G HA2 -0.226 3.734 3.960 0.000 0.000 0.203 158 G HA3 -0.226 3.734 3.960 0.000 0.000 0.203 158 G C -0.256 174.550 174.900 -0.157 0.000 0.993 158 G CA -0.666 44.381 45.100 -0.087 0.000 0.661 158 G HN 0.230 nan 8.290 nan 0.000 0.518 159 F N 0.926 120.892 119.950 0.027 0.000 2.456 159 F HA 0.497 5.025 4.527 0.000 0.000 0.358 159 F C 1.634 177.368 175.800 -0.110 0.000 1.095 159 F CA -0.139 57.825 58.000 -0.061 0.000 1.216 159 F CB 1.023 39.975 39.000 -0.079 0.000 1.125 159 F HN -0.186 nan 8.300 nan 0.000 0.549 160 K N 1.968 122.357 120.400 -0.017 0.000 2.313 160 K HA 0.210 4.530 4.320 0.000 0.000 0.197 160 K C 0.788 177.236 176.600 -0.254 0.000 1.061 160 K CA 0.334 56.581 56.287 -0.067 0.000 0.980 160 K CB 0.466 32.954 32.500 -0.021 0.000 0.888 160 K HN 0.710 nan 8.250 nan 0.000 0.502 161 G N 1.764 110.377 108.800 -0.311 0.000 2.416 161 G HA2 0.462 4.422 3.960 0.000 0.000 0.324 161 G HA3 0.462 4.422 3.960 0.000 0.000 0.324 161 G C -1.055 173.539 174.900 -0.509 0.000 1.194 161 G CA -0.373 44.574 45.100 -0.255 0.000 0.922 161 G HN 0.093 nan 8.290 nan 0.000 0.467 162 H N 0.714 119.684 119.070 -0.168 0.000 2.600 162 H HA 0.449 5.005 4.556 0.000 0.000 0.357 162 H C -0.797 174.488 175.328 -0.072 0.000 1.106 162 H CA -0.560 55.412 56.048 -0.127 0.000 1.193 162 H CB 2.309 31.975 29.762 -0.160 0.000 1.594 162 H HN 0.458 nan 8.280 nan 0.000 0.526 163 S N 3.882 119.638 115.700 0.094 0.000 2.420 163 S HA 0.397 4.867 4.470 0.000 0.000 0.313 163 S C 0.104 174.752 174.600 0.081 0.000 1.079 163 S CA -0.874 57.360 58.200 0.056 0.000 1.104 163 S CB -0.625 62.602 63.200 0.044 0.000 0.969 163 S HN 0.561 nan 8.310 nan 0.000 0.471 164 I N 2.760 123.371 120.570 0.068 0.000 2.378 164 I HA 0.632 4.802 4.170 0.000 0.000 0.291 164 I C -0.492 175.655 176.117 0.051 0.000 0.992 164 I CA -0.932 60.412 61.300 0.072 0.000 1.154 164 I CB 1.278 39.327 38.000 0.081 0.000 1.315 164 I HN 0.243 nan 8.210 nan 0.000 0.448 165 K N 8.175 128.614 120.400 0.065 0.000 2.276 165 K HA 0.543 4.863 4.320 0.000 0.000 0.283 165 K C -0.297 176.333 176.600 0.051 0.000 1.044 165 K CA -0.231 56.097 56.287 0.068 0.000 0.944 165 K CB 1.743 34.310 32.500 0.112 0.000 1.012 165 K HN 0.842 nan 8.250 nan 0.000 0.472 166 I N -3.344 117.250 120.570 0.039 0.000 3.174 166 I HA 0.770 4.940 4.170 0.000 0.000 0.313 166 I C 0.084 176.212 176.117 0.018 0.000 1.155 166 I CA -1.088 60.232 61.300 0.033 0.000 0.977 166 I CB 2.484 40.501 38.000 0.029 0.000 1.248 166 I HN 0.563 nan 8.210 nan 0.000 0.453 167 G N 1.949 110.756 108.800 0.012 0.000 2.743 167 G HA2 0.354 4.314 3.960 0.000 0.000 0.192 167 G HA3 0.354 4.314 3.960 0.000 0.000 0.192 167 G C -0.367 174.527 174.900 -0.011 0.000 1.077 167 G CA -0.319 44.741 45.100 -0.068 0.000 0.956 167 G HN 1.163 nan 8.290 nan 0.000 0.556 168 A N 0.800 123.670 122.820 0.082 0.000 2.388 168 A HA 0.840 5.160 4.320 0.000 0.000 0.257 168 A C 1.185 178.853 177.584 0.139 0.000 1.095 168 A CA 0.596 52.700 52.037 0.111 0.000 0.791 168 A CB 0.455 19.528 19.000 0.122 0.000 1.029 168 A HN 2.120 nan 8.150 nan 0.000 0.489 169 S N 1.309 117.061 115.700 0.086 0.000 2.600 169 S HA 0.175 4.645 4.470 0.000 0.000 0.265 169 S C 0.721 175.375 174.600 0.089 0.000 1.325 169 S CA -0.268 57.982 58.200 0.083 0.000 1.002 169 S CB 0.688 63.918 63.200 0.049 0.000 0.921 169 S HN 0.682 nan 8.310 nan 0.000 0.554 170 E N 1.011 121.256 120.200 0.076 0.000 2.110 170 E HA -0.143 4.207 4.350 0.000 0.000 0.193 170 E C 2.316 178.933 176.600 0.029 0.000 0.988 170 E CA 1.437 57.866 56.400 0.047 0.000 0.804 170 E CB -0.789 28.933 29.700 0.037 0.000 0.745 170 E HN 0.805 nan 8.360 nan 0.000 0.458 171 A N 1.380 124.217 122.820 0.029 0.000 1.902 171 A HA -0.197 4.123 4.320 0.000 0.000 0.217 171 A C 1.852 179.448 177.584 0.020 0.000 1.181 171 A CA 1.450 53.499 52.037 0.020 0.000 0.623 171 A CB -0.424 18.587 19.000 0.019 0.000 0.818 171 A HN 0.210 nan 8.150 nan 0.000 0.443 172 E N -1.596 118.621 120.200 0.028 0.000 2.511 172 E HA 0.250 4.600 4.350 0.000 0.000 0.196 172 E C 1.156 177.770 176.600 0.024 0.000 1.066 172 E CA 0.343 56.759 56.400 0.027 0.000 0.871 172 E CB -0.053 29.668 29.700 0.035 0.000 0.863 172 E HN 0.745 nan 8.360 nan 0.000 0.520 173 G N -0.040 108.773 108.800 0.020 0.000 2.336 173 G HA2 -0.150 3.810 3.960 0.000 0.000 0.194 173 G HA3 -0.150 3.810 3.960 0.000 0.000 0.194 173 G C 0.764 175.663 174.900 -0.002 0.000 0.999 173 G CA -0.338 44.767 45.100 0.007 0.000 0.669 173 G HN 0.683 nan 8.290 nan 0.000 0.482 174 G N 1.114 109.933 108.800 0.031 0.000 2.564 174 G HA2 -0.096 3.864 3.960 0.000 0.000 0.273 174 G HA3 -0.096 3.864 3.960 0.000 0.000 0.273 174 G C -0.486 174.347 174.900 -0.111 0.000 1.242 174 G CA 1.108 46.214 45.100 0.011 0.000 0.951 174 G HN 0.877 nan 8.290 nan 0.000 0.564 175 P HA -0.053 nan 4.420 nan 0.000 0.219 175 P C 1.926 179.135 177.300 -0.153 0.000 1.146 175 P CA 3.029 65.853 63.100 -0.461 0.000 0.808 175 P CB -0.397 30.991 31.700 -0.521 0.000 0.779 176 A N -0.242 122.511 122.820 -0.112 0.000 1.898 176 A HA -0.145 4.175 4.320 0.000 0.000 0.216 176 A C 2.215 179.780 177.584 -0.032 0.000 1.181 176 A CA 1.278 53.279 52.037 -0.060 0.000 0.620 176 A CB -1.572 17.398 19.000 -0.050 0.000 0.819 176 A HN 0.156 nan 8.150 nan 0.000 0.442 177 L N 0.263 121.476 121.223 -0.016 0.000 1.994 177 L HA -0.185 4.155 4.340 0.000 0.000 0.208 177 L C 1.774 178.652 176.870 0.014 0.000 1.071 177 L CA 2.515 57.357 54.840 0.004 0.000 0.745 177 L CB -0.657 41.414 42.059 0.020 0.000 0.892 177 L HN 0.363 nan 8.230 nan 0.000 0.431 178 D N -0.222 120.201 120.400 0.039 0.000 2.123 178 D HA -0.192 4.448 4.640 0.000 0.000 0.196 178 D C 2.156 178.466 176.300 0.017 0.000 0.992 178 D CA 1.572 55.605 54.000 0.055 0.000 0.833 178 D CB -0.192 40.692 40.800 0.141 0.000 0.954 178 D HN 0.509 nan 8.370 nan 0.000 0.455 179 A N 1.224 124.043 122.820 -0.001 0.000 1.883 179 A HA -0.242 4.079 4.320 0.000 0.000 0.217 179 A C 2.120 179.687 177.584 -0.028 0.000 1.186 179 A CA 1.765 53.790 52.037 -0.020 0.000 0.624 179 A CB -0.622 18.360 19.000 -0.031 0.000 0.822 179 A HN 0.224 nan 8.150 nan 0.000 0.444 180 E N -0.558 119.627 120.200 -0.025 0.000 2.051 180 E HA -0.205 4.145 4.350 0.000 0.000 0.192 180 E C 2.324 178.903 176.600 -0.034 0.000 0.991 180 E CA 1.317 57.699 56.400 -0.030 0.000 0.799 180 E CB -0.203 29.483 29.700 -0.024 0.000 0.748 180 E HN 0.540 nan 8.360 nan 0.000 0.449 181 R N 0.388 120.874 120.500 -0.023 0.000 2.096 181 R HA -0.174 4.166 4.340 0.000 0.000 0.240 181 R C 2.394 178.669 176.300 -0.042 0.000 1.139 181 R CA 1.466 57.552 56.100 -0.024 0.000 0.952 181 R CB -0.420 29.878 30.300 -0.004 0.000 0.854 181 R HN 0.221 nan 8.270 nan 0.000 0.436 182 I N 0.233 120.776 120.570 -0.045 0.000 2.202 182 I HA -0.259 3.911 4.170 0.000 0.000 0.242 182 I C 2.603 178.651 176.117 -0.116 0.000 1.091 182 I CA 1.715 62.970 61.300 -0.075 0.000 1.368 182 I CB -0.664 37.297 38.000 -0.064 0.000 1.058 182 I HN 0.355 nan 8.210 nan 0.000 0.410 183 T N -0.202 114.296 114.554 -0.093 0.000 2.720 183 T HA -0.186 4.164 4.350 0.000 0.000 0.268 183 T C 2.010 176.643 174.700 -0.111 0.000 1.037 183 T CA 1.100 63.140 62.100 -0.101 0.000 1.144 183 T CB -0.734 68.091 68.868 -0.071 0.000 0.864 183 T HN 0.353 nan 8.240 nan 0.000 0.444 184 A N 1.432 124.198 122.820 -0.089 0.000 1.842 184 A HA -0.142 4.178 4.320 0.000 0.000 0.217 184 A C 2.802 180.318 177.584 -0.113 0.000 1.206 184 A CA 1.927 53.914 52.037 -0.084 0.000 0.630 184 A CB -1.597 17.365 19.000 -0.062 0.000 0.839 184 A HN 0.749 nan 8.150 nan 0.000 0.447 185 C N -0.312 118.913 119.300 -0.125 0.000 2.401 185 C HA -0.064 4.396 4.460 0.000 0.000 0.286 185 C C 2.292 177.099 174.990 -0.305 0.000 1.332 185 C CA 0.936 59.863 59.018 -0.151 0.000 1.795 185 C CB -1.501 26.185 27.740 -0.090 0.000 1.922 185 C HN 0.554 nan 8.230 nan 0.000 0.520 186 L N 0.346 121.341 121.223 -0.380 0.000 2.585 186 L HA 0.108 4.448 4.340 0.000 0.000 0.226 186 L C 2.706 179.435 176.870 -0.235 0.000 1.113 186 L CA 0.781 55.321 54.840 -0.500 0.000 0.876 186 L CB -0.975 40.796 42.059 -0.479 0.000 1.072 186 L HN 0.263 nan 8.230 nan 0.000 0.468 187 A N 1.676 124.404 122.820 -0.154 0.000 1.917 187 A HA -0.229 4.091 4.320 0.000 0.000 0.219 187 A C 1.183 178.735 177.584 -0.053 0.000 1.182 187 A CA 2.181 54.165 52.037 -0.089 0.000 0.633 187 A CB -0.537 18.421 19.000 -0.070 0.000 0.819 187 A HN 0.579 nan 8.150 nan 0.000 0.448 188 D N -1.680 118.697 120.400 -0.038 0.000 2.559 188 D HA 0.234 4.874 4.640 0.000 0.000 0.234 188 D C 0.246 176.568 176.300 0.038 0.000 1.226 188 D CA -0.542 53.457 54.000 -0.000 0.000 0.830 188 D CB -0.200 40.602 40.800 0.003 0.000 1.028 188 D HN 0.189 nan 8.370 nan 0.000 0.492 189 R N 1.614 122.136 120.500 0.037 0.000 2.560 189 R HA -0.078 4.262 4.340 0.000 0.000 0.296 189 R C 0.052 176.416 176.300 0.107 0.000 0.873 189 R CA 0.681 56.845 56.100 0.106 0.000 1.140 189 R CB 0.304 30.641 30.300 0.061 0.000 0.875 189 R HN 0.320 nan 8.270 nan 0.000 0.419 190 Q N 3.310 123.196 119.800 0.142 0.000 2.241 190 Q HA 0.401 4.741 4.340 0.000 0.000 0.262 190 Q C -2.163 173.909 176.000 0.119 0.000 1.014 190 Q CA -2.398 53.470 55.803 0.110 0.000 0.885 190 Q CB 0.891 29.689 28.738 0.099 0.000 1.311 190 Q HN 0.383 nan 8.270 nan 0.000 0.461 191 P HA 0.051 nan 4.420 nan 0.000 0.265 191 P C 0.378 177.733 177.300 0.091 0.000 1.187 191 P CA 1.122 64.273 63.100 0.084 0.000 0.766 191 P CB 0.292 32.028 31.700 0.060 0.000 0.820 192 G N 0.877 109.735 108.800 0.097 0.000 2.141 192 G HA2 -0.220 3.740 3.960 0.000 0.000 0.242 192 G HA3 -0.220 3.740 3.960 0.000 0.000 0.242 192 G C -0.008 174.958 174.900 0.110 0.000 0.982 192 G CA -0.276 44.876 45.100 0.087 0.000 0.662 192 G HN 0.551 nan 8.290 nan 0.000 0.527 193 E N -1.604 118.694 120.200 0.162 0.000 2.283 193 E HA 0.619 4.969 4.350 0.000 0.000 0.267 193 E C -0.637 176.107 176.600 0.241 0.000 1.045 193 E CA -0.877 55.625 56.400 0.169 0.000 0.884 193 E CB 1.230 31.083 29.700 0.255 0.000 1.106 193 E HN 0.298 nan 8.360 nan 0.000 0.408 194 W N 1.992 123.205 121.300 -0.146 0.000 3.097 194 W HA 0.386 5.046 4.660 0.000 0.000 0.335 194 W C -1.972 174.370 176.519 -0.296 0.000 1.114 194 W CA -0.425 56.869 57.345 -0.085 0.000 1.231 194 W CB 0.993 30.409 29.460 -0.075 0.000 1.388 194 W HN 0.408 nan 8.180 nan 0.000 0.485 195 Y N 6.088 126.085 120.300 -0.506 0.000 2.409 195 Y HA 0.623 5.173 4.550 0.000 0.000 0.343 195 Y C -0.794 174.591 175.900 -0.857 0.000 0.973 195 Y CA -1.148 56.668 58.100 -0.472 0.000 1.064 195 Y CB 1.947 40.283 38.460 -0.208 0.000 1.207 195 Y HN 0.265 nan 8.280 nan 0.000 0.452 196 L N 3.234 124.146 121.223 -0.518 0.000 2.343 196 L HA 0.840 5.180 4.340 0.000 0.000 0.278 196 L C -0.575 176.201 176.870 -0.156 0.000 0.996 196 L CA -0.709 53.861 54.840 -0.450 0.000 0.831 196 L CB 1.172 42.995 42.059 -0.392 0.000 1.232 196 L HN 0.712 nan 8.230 nan 0.000 0.413 197 A N 3.377 126.129 122.820 -0.114 0.000 2.310 197 A HA 0.443 4.763 4.320 0.000 0.000 0.300 197 A C -0.623 176.940 177.584 -0.035 0.000 1.269 197 A CA -0.413 51.596 52.037 -0.047 0.000 0.909 197 A CB -0.091 18.887 19.000 -0.038 0.000 1.144 197 A HN 0.665 nan 8.150 nan 0.000 0.540 198 D N 2.963 123.354 120.400 -0.014 0.000 2.373 198 D HA 0.516 5.156 4.640 0.000 0.000 0.227 198 D C 0.705 177.005 176.300 -0.000 0.000 1.091 198 D CA 0.261 54.255 54.000 -0.009 0.000 0.840 198 D CB 1.425 42.222 40.800 -0.006 0.000 1.060 198 D HN 0.418 nan 8.370 nan 0.000 0.502 199 A N 3.712 126.523 122.820 -0.014 0.000 2.308 199 A HA 0.104 4.424 4.320 0.000 0.000 0.217 199 A C 0.756 178.332 177.584 -0.012 0.000 1.216 199 A CA -0.196 51.828 52.037 -0.022 0.000 0.864 199 A CB -0.655 18.313 19.000 -0.053 0.000 0.902 199 A HN 0.782 nan 8.150 nan 0.000 0.499 200 N N 1.006 119.708 118.700 0.002 0.000 2.699 200 N HA -0.230 4.510 4.740 0.000 0.000 0.256 200 N C -0.044 175.458 175.510 -0.012 0.000 0.993 200 N CA 0.808 53.873 53.050 0.025 0.000 0.759 200 N CB -1.720 36.823 38.487 0.093 0.000 0.906 200 N HN 0.704 nan 8.380 nan 0.000 0.541 201 N N -3.060 115.608 118.700 -0.054 0.000 2.741 201 N HA -0.209 4.531 4.740 0.000 0.000 0.250 201 N C 0.955 176.428 175.510 -0.062 0.000 1.115 201 N CA 0.546 53.549 53.050 -0.078 0.000 0.724 201 N CB -0.937 37.488 38.487 -0.102 0.000 1.090 201 N HN 0.691 nan 8.380 nan 0.000 0.558 202 G N -0.515 108.247 108.800 -0.062 0.000 2.833 202 G HA2 0.279 4.239 3.960 0.000 0.000 0.210 202 G HA3 0.279 4.239 3.960 0.000 0.000 0.210 202 G C 0.506 175.331 174.900 -0.126 0.000 1.139 202 G CA -0.104 44.954 45.100 -0.069 0.000 0.771 202 G HN 0.154 nan 8.290 nan 0.000 0.535 203 L N 2.344 123.472 121.223 -0.157 0.000 2.334 203 L HA 0.386 4.726 4.340 0.000 0.000 0.277 203 L C 0.953 177.764 176.870 -0.098 0.000 1.075 203 L CA -0.868 53.834 54.840 -0.230 0.000 0.804 203 L CB 1.282 43.200 42.059 -0.235 0.000 1.174 203 L HN 0.055 nan 8.230 nan 0.000 0.438 204 T N -1.265 113.261 114.554 -0.047 0.000 2.860 204 T HA 0.154 4.504 4.350 0.000 0.000 0.299 204 T C 1.306 176.031 174.700 0.042 0.000 1.045 204 T CA -0.864 61.245 62.100 0.015 0.000 1.071 204 T CB 1.369 70.264 68.868 0.045 0.000 0.985 204 T HN 0.285 nan 8.240 nan 0.000 0.537 205 V N 1.100 121.033 119.914 0.033 0.000 2.407 205 V HA -0.133 3.987 4.120 0.000 0.000 0.248 205 V C 2.884 179.010 176.094 0.054 0.000 1.055 205 V CA 2.111 64.433 62.300 0.036 0.000 1.049 205 V CB -1.032 30.806 31.823 0.025 0.000 0.662 205 V HN 1.041 nan 8.190 nan 0.000 0.455 206 E N 0.282 120.516 120.200 0.057 0.000 2.058 206 E HA -0.318 4.032 4.350 0.000 0.000 0.194 206 E C 2.184 178.830 176.600 0.077 0.000 0.997 206 E CA 2.209 58.641 56.400 0.052 0.000 0.801 206 E CB -0.252 29.473 29.700 0.041 0.000 0.746 206 E HN 0.837 nan 8.360 nan 0.000 0.450 207 H N -0.201 118.869 119.070 -0.001 0.000 2.319 207 H HA -0.106 4.450 4.556 0.000 0.000 0.299 207 H C 2.003 177.328 175.328 -0.005 0.000 1.092 207 H CA 2.249 58.295 56.048 -0.002 0.000 1.302 207 H CB -0.118 29.643 29.762 -0.001 0.000 1.373 207 H HN 0.249 nan 8.280 nan 0.000 0.497 208 A N 0.978 123.949 122.820 0.251 0.000 1.873 208 A HA -0.180 4.140 4.320 0.000 0.000 0.218 208 A C 2.533 180.160 177.584 0.071 0.000 1.193 208 A CA 1.816 53.943 52.037 0.150 0.000 0.629 208 A CB -1.001 18.042 19.000 0.072 0.000 0.826 208 A HN 0.503 nan 8.150 nan 0.000 0.447 209 L N -1.412 119.839 121.223 0.045 0.000 2.083 209 L HA -0.201 4.139 4.340 0.000 0.000 0.209 209 L C 2.896 179.766 176.870 -0.000 0.000 1.083 209 L CA 1.550 56.401 54.840 0.019 0.000 0.752 209 L CB -0.515 41.553 42.059 0.016 0.000 0.899 209 L HN 0.377 nan 8.230 nan 0.000 0.433 210 R N -0.437 120.054 120.500 -0.015 0.000 2.073 210 R HA -0.189 4.151 4.340 0.000 0.000 0.234 210 R C 2.336 178.599 176.300 -0.062 0.000 1.134 210 R CA 1.621 57.690 56.100 -0.053 0.000 0.952 210 R CB -0.340 29.902 30.300 -0.097 0.000 0.850 210 R HN 0.311 nan 8.270 nan 0.000 0.433 211 M N 0.394 119.958 119.600 -0.060 0.000 2.108 211 M HA -0.187 4.293 4.480 0.000 0.000 0.261 211 M C 1.476 177.767 176.300 -0.015 0.000 1.066 211 M CA 1.561 56.840 55.300 -0.035 0.000 1.107 211 M CB 0.057 32.680 32.600 0.037 0.000 1.356 211 M HN 0.092 nan 8.290 nan 0.000 0.406 212 L N -0.315 120.906 121.223 -0.003 0.000 2.056 212 L HA -0.134 4.206 4.340 0.000 0.000 0.207 212 L C 2.712 179.574 176.870 -0.013 0.000 1.078 212 L CA 1.823 56.660 54.840 -0.005 0.000 0.749 212 L CB -1.643 40.417 42.059 0.002 0.000 0.901 212 L HN 0.383 nan 8.230 nan 0.000 0.433 213 S N -0.946 114.744 115.700 -0.016 0.000 2.399 213 S HA -0.106 4.364 4.470 0.000 0.000 0.231 213 S C 1.986 176.572 174.600 -0.023 0.000 1.022 213 S CA 0.939 59.128 58.200 -0.018 0.000 0.983 213 S CB -0.056 63.132 63.200 -0.019 0.000 0.803 213 S HN 0.394 nan 8.310 nan 0.000 0.480 214 L N 0.882 122.087 121.223 -0.029 0.000 2.313 214 L HA 0.218 4.559 4.340 0.000 0.000 0.214 214 L C 0.571 177.423 176.870 -0.030 0.000 1.119 214 L CA 0.097 54.917 54.840 -0.033 0.000 0.809 214 L CB -0.250 41.783 42.059 -0.043 0.000 0.933 214 L HN 0.235 nan 8.230 nan 0.000 0.449 215 L N 1.780 122.986 121.223 -0.028 0.000 2.456 215 L HA 0.140 4.480 4.340 0.000 0.000 0.272 215 L C -1.755 175.098 176.870 -0.028 0.000 1.189 215 L CA -1.637 53.185 54.840 -0.030 0.000 0.846 215 L CB 0.059 42.100 42.059 -0.029 0.000 1.111 215 L HN -0.090 nan 8.230 nan 0.000 0.475 216 P HA 0.221 nan 4.420 nan 0.000 0.275 216 P C -2.527 174.758 177.300 -0.026 0.000 1.228 216 P CA -1.289 61.794 63.100 -0.028 0.000 0.786 216 P CB -0.110 31.571 31.700 -0.032 0.000 0.927 217 P HA 0.099 nan 4.420 nan 0.000 0.270 217 P C 0.790 178.080 177.300 -0.017 0.000 1.223 217 P CA 0.545 63.636 63.100 -0.016 0.000 0.785 217 P CB 0.030 31.723 31.700 -0.011 0.000 0.923 218 G N -0.112 108.680 108.800 -0.014 0.000 2.141 218 G HA2 -0.179 3.781 3.960 0.000 0.000 0.231 218 G HA3 -0.179 3.781 3.960 0.000 0.000 0.231 218 G C -0.174 174.715 174.900 -0.018 0.000 0.984 218 G CA -0.250 44.843 45.100 -0.012 0.000 0.660 218 G HN 0.455 nan 8.290 nan 0.000 0.525 219 L N 0.971 122.177 121.223 -0.028 0.000 2.326 219 L HA 0.491 4.831 4.340 0.000 0.000 0.278 219 L C 0.001 176.854 176.870 -0.028 0.000 1.092 219 L CA -0.806 54.007 54.840 -0.044 0.000 0.810 219 L CB 1.244 43.263 42.059 -0.067 0.000 1.153 219 L HN 0.138 nan 8.230 nan 0.000 0.439 220 D N 4.731 125.118 120.400 -0.023 0.000 2.428 220 D HA 0.502 5.142 4.640 0.000 0.000 0.221 220 D C -0.940 175.348 176.300 -0.020 0.000 1.123 220 D CA 0.005 54.011 54.000 0.010 0.000 0.869 220 D CB 0.734 41.572 40.800 0.063 0.000 1.032 220 D HN 0.411 nan 8.370 nan 0.000 0.506 221 I N 2.657 123.198 120.570 -0.047 0.000 2.908 221 I HA 0.379 4.549 4.170 0.000 0.000 0.300 221 I C -1.629 174.422 176.117 -0.110 0.000 1.385 221 I CA -0.740 60.496 61.300 -0.106 0.000 1.004 221 I CB 2.109 40.049 38.000 -0.100 0.000 1.309 221 I HN 0.058 nan 8.210 nan 0.000 0.449 222 V N 6.268 126.065 119.914 -0.194 0.000 2.581 222 V HA 0.489 4.609 4.120 0.000 0.000 0.303 222 V C -0.699 175.330 176.094 -0.108 0.000 1.041 222 V CA -0.707 61.520 62.300 -0.122 0.000 0.907 222 V CB 1.708 33.457 31.823 -0.125 0.000 0.994 222 V HN 0.516 nan 8.190 nan 0.000 0.442 223 L N 4.271 125.464 121.223 -0.050 0.000 2.272 223 L HA 0.568 4.908 4.340 0.000 0.000 0.289 223 L C -0.156 176.695 176.870 -0.031 0.000 1.032 223 L CA 0.159 54.974 54.840 -0.042 0.000 0.810 223 L CB 1.199 43.242 42.059 -0.026 0.000 1.205 223 L HN 0.824 nan 8.230 nan 0.000 0.422 224 E N 5.033 125.213 120.200 -0.035 0.000 2.175 224 E HA 0.577 4.927 4.350 0.000 0.000 0.278 224 E C 0.102 176.680 176.600 -0.037 0.000 0.969 224 E CA -0.179 56.206 56.400 -0.025 0.000 0.796 224 E CB 1.236 30.929 29.700 -0.011 0.000 1.104 224 E HN 1.025 nan 8.360 nan 0.000 0.395 225 A N 5.061 127.849 122.820 -0.054 0.000 2.466 225 A HA -0.119 4.201 4.320 0.000 0.000 0.295 225 A C -1.836 175.704 177.584 -0.073 0.000 1.465 225 A CA 0.519 52.510 52.037 -0.077 0.000 0.744 225 A CB -1.360 17.603 19.000 -0.062 0.000 1.098 225 A HN 0.719 nan 8.150 nan 0.000 0.402 226 P HA 0.018 nan 4.420 nan 0.000 0.217 226 P C 0.632 177.887 177.300 -0.075 0.000 1.151 226 P CA 1.327 64.390 63.100 -0.063 0.000 0.828 226 P CB 0.019 31.692 31.700 -0.045 0.000 0.788 227 C N -1.409 117.839 119.300 -0.087 0.000 2.848 227 C HA 0.702 5.162 4.460 0.000 0.000 0.317 227 C C 1.728 176.657 174.990 -0.101 0.000 1.260 227 C CA -0.142 58.828 59.018 -0.081 0.000 1.656 227 C CB 1.280 28.982 27.740 -0.064 0.000 2.174 227 C HN 0.153 nan 8.230 nan 0.000 0.479 228 A N 0.666 123.441 122.820 -0.076 0.000 2.218 228 A HA 0.402 4.722 4.320 0.000 0.000 0.209 228 A C 0.763 178.304 177.584 -0.072 0.000 1.168 228 A CA 0.801 52.793 52.037 -0.075 0.000 0.804 228 A CB -0.218 18.756 19.000 -0.043 0.000 0.834 228 A HN 1.129 nan 8.150 nan 0.000 0.482 229 S N -4.003 111.656 115.700 -0.068 0.000 2.618 229 S HA 0.444 4.914 4.470 0.000 0.000 0.277 229 S C 0.091 174.668 174.600 -0.038 0.000 1.138 229 S CA -0.692 57.496 58.200 -0.020 0.000 0.844 229 S CB 0.152 63.387 63.200 0.058 0.000 1.127 229 S HN 0.279 nan 8.310 nan 0.000 0.474 230 W N 0.975 122.270 121.300 -0.008 0.000 2.335 230 W HA 0.007 4.667 4.660 0.000 0.000 0.311 230 W C 2.826 179.345 176.519 -0.001 0.000 1.213 230 W CA 1.846 59.188 57.345 -0.004 0.000 1.274 230 W CB -0.675 28.784 29.460 -0.003 0.000 1.148 230 W HN 0.919 nan 8.180 nan 0.000 0.498 231 A N 0.219 123.173 122.820 0.225 0.000 1.902 231 A HA -0.222 4.098 4.320 0.000 0.000 0.217 231 A C 1.768 179.399 177.584 0.079 0.000 1.181 231 A CA 1.892 54.008 52.037 0.130 0.000 0.623 231 A CB -0.778 18.279 19.000 0.095 0.000 0.818 231 A HN 0.399 nan 8.150 nan 0.000 0.443 232 E N -0.827 119.405 120.200 0.054 0.000 2.077 232 E HA -0.124 4.226 4.350 0.000 0.000 0.193 232 E C 2.087 178.693 176.600 0.010 0.000 0.989 232 E CA 1.610 58.024 56.400 0.023 0.000 0.800 232 E CB -0.323 29.380 29.700 0.005 0.000 0.746 232 E HN 0.590 nan 8.360 nan 0.000 0.452 233 T N 1.315 115.864 114.554 -0.009 0.000 2.746 233 T HA -0.143 4.207 4.350 0.000 0.000 0.267 233 T C 1.691 176.396 174.700 0.010 0.000 1.039 233 T CA 1.030 63.110 62.100 -0.034 0.000 1.142 233 T CB -0.083 68.711 68.868 -0.124 0.000 0.866 233 T HN 0.081 nan 8.240 nan 0.000 0.444 234 K N 1.076 121.509 120.400 0.055 0.000 2.103 234 K HA -0.054 4.266 4.320 0.000 0.000 0.207 234 K C 2.749 179.375 176.600 0.044 0.000 1.048 234 K CA 1.338 57.665 56.287 0.067 0.000 0.930 234 K CB -0.263 32.295 32.500 0.097 0.000 0.716 234 K HN 0.246 nan 8.250 nan 0.000 0.444 235 S N 1.709 117.432 115.700 0.038 0.000 2.356 235 S HA -0.156 4.314 4.470 0.000 0.000 0.223 235 S C 1.900 176.514 174.600 0.023 0.000 1.032 235 S CA 1.075 59.293 58.200 0.029 0.000 1.005 235 S CB -0.266 62.950 63.200 0.027 0.000 0.867 235 S HN 0.207 nan 8.310 nan 0.000 0.449 236 L N 2.141 123.374 121.223 0.017 0.000 2.056 236 L HA 0.011 4.351 4.340 0.000 0.000 0.207 236 L C 2.279 179.157 176.870 0.013 0.000 1.078 236 L CA 1.692 56.539 54.840 0.013 0.000 0.749 236 L CB -0.575 41.487 42.059 0.004 0.000 0.901 236 L HN 0.066 nan 8.230 nan 0.000 0.433 237 R N 0.543 121.052 120.500 0.014 0.000 2.117 237 R HA -0.146 4.194 4.340 0.000 0.000 0.243 237 R C 2.052 178.364 176.300 0.020 0.000 1.143 237 R CA 1.792 57.902 56.100 0.017 0.000 0.968 237 R CB -1.023 29.291 30.300 0.024 0.000 0.863 237 R HN 0.517 nan 8.270 nan 0.000 0.444 238 A N -0.628 122.205 122.820 0.022 0.000 2.121 238 A HA -0.003 4.317 4.320 0.000 0.000 0.218 238 A C 1.677 179.271 177.584 0.017 0.000 1.154 238 A CA 1.291 53.341 52.037 0.021 0.000 0.679 238 A CB -0.145 18.869 19.000 0.023 0.000 0.795 238 A HN 0.315 nan 8.150 nan 0.000 0.458 239 R N -2.124 118.385 120.500 0.016 0.000 2.616 239 R HA 0.257 4.597 4.340 0.000 0.000 0.427 239 R C -0.991 175.316 176.300 0.012 0.000 1.030 239 R CA 0.019 56.127 56.100 0.013 0.000 1.133 239 R CB 0.867 31.175 30.300 0.013 0.000 1.444 239 R HN 0.384 nan 8.270 nan 0.000 0.578 240 C N -0.397 118.911 119.300 0.012 0.000 2.481 240 C HA 0.689 5.149 4.460 0.000 0.000 0.324 240 C C 0.931 175.928 174.990 0.011 0.000 1.170 240 C CA -0.397 58.627 59.018 0.010 0.000 1.361 240 C CB 1.272 29.017 27.740 0.009 0.000 1.977 240 C HN 0.525 nan 8.230 nan 0.000 0.459 241 A N 4.603 127.429 122.820 0.010 0.000 2.348 241 A HA 0.400 4.720 4.320 0.000 0.000 0.224 241 A C 0.316 177.908 177.584 0.014 0.000 1.227 241 A CA 0.155 52.200 52.037 0.012 0.000 0.885 241 A CB -0.114 18.892 19.000 0.011 0.000 0.933 241 A HN 0.695 nan 8.150 nan 0.000 0.506 242 L N 1.389 122.618 121.223 0.010 0.000 2.417 242 L HA 0.357 4.697 4.340 0.000 0.000 0.268 242 L C -2.050 174.830 176.870 0.017 0.000 1.158 242 L CA -1.832 53.013 54.840 0.009 0.000 0.819 242 L CB 0.323 42.381 42.059 -0.002 0.000 1.112 242 L HN 0.068 nan 8.230 nan 0.000 0.458 243 P HA 0.198 nan 4.420 nan 0.000 0.271 243 P C -1.094 176.223 177.300 0.028 0.000 1.218 243 P CA -0.398 62.725 63.100 0.039 0.000 0.780 243 P CB 0.744 32.485 31.700 0.069 0.000 0.901 244 L N 2.762 124.001 121.223 0.027 0.000 2.341 244 L HA 0.512 4.852 4.340 0.000 0.000 0.278 244 L C -0.443 176.438 176.870 0.018 0.000 1.005 244 L CA -0.488 54.358 54.840 0.011 0.000 0.818 244 L CB 1.448 43.505 42.059 -0.003 0.000 1.259 244 L HN 0.296 nan 8.230 nan 0.000 0.418 245 L N 4.496 125.727 121.223 0.014 0.000 2.333 245 L HA 0.612 4.952 4.340 0.000 0.000 0.280 245 L C -1.201 175.656 176.870 -0.022 0.000 1.004 245 L CA -0.352 54.501 54.840 0.020 0.000 0.820 245 L CB 1.255 43.355 42.059 0.069 0.000 1.247 245 L HN 0.484 nan 8.230 nan 0.000 0.416 246 L N 4.194 125.390 121.223 -0.045 0.000 2.357 246 L HA 0.420 4.760 4.340 0.000 0.000 0.273 246 L C -0.304 176.523 176.870 -0.071 0.000 1.080 246 L CA -0.137 54.644 54.840 -0.099 0.000 0.803 246 L CB 1.721 43.682 42.059 -0.164 0.000 1.174 246 L HN 0.729 nan 8.230 nan 0.000 0.443 247 D N -0.408 119.939 120.400 -0.088 0.000 3.000 247 D HA -0.011 4.629 4.640 0.000 0.000 0.190 247 D C 1.379 177.634 176.300 -0.076 0.000 1.503 247 D CA 0.093 54.065 54.000 -0.046 0.000 1.496 247 D CB 0.301 41.095 40.800 -0.009 0.000 1.163 247 D HN 0.512 nan 8.370 nan 0.000 0.231 248 E N 0.360 120.480 120.200 -0.133 0.000 2.130 248 E HA -0.095 4.255 4.350 0.000 0.000 0.196 248 E C 1.993 178.487 176.600 -0.177 0.000 0.998 248 E CA 0.898 57.165 56.400 -0.223 0.000 0.806 248 E CB -0.129 29.372 29.700 -0.332 0.000 0.738 248 E HN 0.348 nan 8.360 nan 0.000 0.459 249 L N 0.454 121.539 121.223 -0.231 0.000 2.465 249 L HA -0.030 4.310 4.340 0.000 0.000 0.224 249 L C 0.219 177.027 176.870 -0.104 0.000 1.145 249 L CA 0.150 54.806 54.840 -0.306 0.000 0.834 249 L CB -0.020 41.585 42.059 -0.758 0.000 0.944 249 L HN 0.127 nan 8.230 nan 0.000 0.451 250 I N 0.252 120.788 120.570 -0.057 0.000 2.337 250 I HA 0.138 4.308 4.170 0.000 0.000 0.285 250 I C 0.637 176.791 176.117 0.062 0.000 1.041 250 I CA 0.296 61.629 61.300 0.055 0.000 1.199 250 I CB 1.190 39.208 38.000 0.029 0.000 1.370 250 I HN 0.222 nan 8.210 nan 0.000 0.470 251 Q N 2.580 122.442 119.800 0.104 0.000 2.532 251 Q HA 0.094 4.434 4.340 0.000 0.000 0.247 251 Q C 0.740 176.807 176.000 0.111 0.000 0.872 251 Q CA 0.354 56.213 55.803 0.092 0.000 0.963 251 Q CB 0.748 29.536 28.738 0.084 0.000 1.159 251 Q HN 0.749 nan 8.270 nan 0.000 0.598 252 T N -1.634 112.996 114.554 0.126 0.000 2.936 252 T HA 0.252 4.602 4.350 0.000 0.000 0.282 252 T C 0.577 175.338 174.700 0.102 0.000 1.003 252 T CA -0.586 61.593 62.100 0.131 0.000 1.005 252 T CB 1.573 70.519 68.868 0.130 0.000 1.097 252 T HN -0.131 nan 8.240 nan 0.000 0.532 253 E N 0.572 120.823 120.200 0.086 0.000 2.110 253 E HA -0.059 4.291 4.350 0.000 0.000 0.193 253 E C 2.358 178.992 176.600 0.056 0.000 0.988 253 E CA 1.942 58.373 56.400 0.052 0.000 0.804 253 E CB -0.815 28.902 29.700 0.028 0.000 0.745 253 E HN 0.925 nan 8.360 nan 0.000 0.458 254 T N -0.973 113.616 114.554 0.059 0.000 2.867 254 T HA -0.134 4.216 4.350 0.000 0.000 0.268 254 T C 1.295 176.011 174.700 0.025 0.000 1.057 254 T CA 1.154 63.272 62.100 0.029 0.000 1.136 254 T CB -0.201 68.673 68.868 0.010 0.000 0.874 254 T HN -0.076 nan 8.240 nan 0.000 0.466 255 D N 1.190 121.643 120.400 0.088 0.000 2.123 255 D HA -0.033 4.608 4.640 0.000 0.000 0.196 255 D C 1.963 178.426 176.300 0.272 0.000 0.992 255 D CA 0.662 54.789 54.000 0.213 0.000 0.833 255 D CB -0.420 40.598 40.800 0.363 0.000 0.954 255 D HN 0.261 nan 8.370 nan 0.000 0.455 256 L N 0.903 122.227 121.223 0.169 0.000 2.093 256 L HA -0.112 4.228 4.340 0.000 0.000 0.208 256 L C 2.024 178.956 176.870 0.103 0.000 1.085 256 L CA 1.074 55.995 54.840 0.135 0.000 0.755 256 L CB -0.426 41.679 42.059 0.076 0.000 0.904 256 L HN -0.030 nan 8.230 nan 0.000 0.435 257 I N -0.260 120.346 120.570 0.061 0.000 2.286 257 I HA -0.236 3.934 4.170 0.000 0.000 0.248 257 I C 2.627 178.758 176.117 0.023 0.000 1.115 257 I CA 1.388 62.707 61.300 0.032 0.000 1.392 257 I CB -1.907 36.099 38.000 0.009 0.000 1.065 257 I HN 0.297 nan 8.210 nan 0.000 0.418 258 A N 0.916 123.731 122.820 -0.008 0.000 1.898 258 A HA -0.083 4.237 4.320 0.000 0.000 0.216 258 A C 2.597 180.237 177.584 0.094 0.000 1.181 258 A CA 1.856 53.840 52.037 -0.089 0.000 0.620 258 A CB -0.748 17.990 19.000 -0.437 0.000 0.819 258 A HN 0.399 nan 8.150 nan 0.000 0.442 259 A N -0.231 122.754 122.820 0.276 0.000 1.902 259 A HA -0.097 4.223 4.320 0.000 0.000 0.217 259 A C 2.057 179.733 177.584 0.152 0.000 1.181 259 A CA 1.684 53.906 52.037 0.308 0.000 0.623 259 A CB -0.595 18.565 19.000 0.267 0.000 0.818 259 A HN 0.443 nan 8.150 nan 0.000 0.443 260 I N -0.673 119.959 120.570 0.102 0.000 2.179 260 I HA -0.235 3.935 4.170 0.000 0.000 0.242 260 I C 2.572 178.720 176.117 0.053 0.000 1.088 260 I CA 1.846 63.184 61.300 0.064 0.000 1.357 260 I CB -0.227 37.800 38.000 0.044 0.000 1.051 260 I HN 0.362 nan 8.210 nan 0.000 0.409 261 R N 0.931 121.457 120.500 0.044 0.000 2.096 261 R HA -0.159 4.181 4.340 0.000 0.000 0.235 261 R C 1.322 177.645 176.300 0.037 0.000 1.127 261 R CA 1.808 57.924 56.100 0.027 0.000 0.968 261 R CB -0.492 29.811 30.300 0.004 0.000 0.861 261 R HN 0.276 nan 8.270 nan 0.000 0.440 262 D N 0.238 120.676 120.400 0.063 0.000 2.339 262 D HA 0.004 4.644 4.640 0.000 0.000 0.217 262 D C -0.316 176.029 176.300 0.075 0.000 1.050 262 D CA 0.437 54.482 54.000 0.075 0.000 0.856 262 D CB -0.108 40.762 40.800 0.116 0.000 0.922 262 D HN 0.267 nan 8.370 nan 0.000 0.518 263 D N 0.569 121.010 120.400 0.067 0.000 2.697 263 D HA -0.214 4.426 4.640 0.000 0.000 0.235 263 D C 0.783 177.120 176.300 0.063 0.000 1.167 263 D CA 0.065 54.100 54.000 0.057 0.000 0.656 263 D CB -0.973 39.853 40.800 0.044 0.000 1.025 263 D HN 0.157 nan 8.370 nan 0.000 0.419 264 L N -0.090 121.182 121.223 0.082 0.000 2.375 264 L HA 0.244 4.584 4.340 0.000 0.000 0.215 264 L C 0.868 177.759 176.870 0.035 0.000 1.108 264 L CA 1.304 56.188 54.840 0.074 0.000 0.830 264 L CB 0.231 42.364 42.059 0.122 0.000 0.959 264 L HN 0.676 nan 8.230 nan 0.000 0.457 265 C N -4.298 115.024 119.300 0.036 0.000 3.311 265 C HA 0.488 4.948 4.460 0.000 0.000 0.325 265 C C 0.323 175.331 174.990 0.030 0.000 1.352 265 C CA -0.801 58.230 59.018 0.021 0.000 1.308 265 C CB 0.920 28.659 27.740 -0.001 0.000 1.619 265 C HN 0.227 nan 8.230 nan 0.000 0.469 266 D N 0.344 120.764 120.400 0.033 0.000 2.398 266 D HA 0.412 5.052 4.640 0.000 0.000 0.210 266 D C 0.703 177.028 176.300 0.041 0.000 1.094 266 D CA 0.978 55.002 54.000 0.040 0.000 0.839 266 D CB 1.257 42.088 40.800 0.051 0.000 0.963 266 D HN 1.132 nan 8.370 nan 0.000 0.506 267 G N -0.048 108.774 108.800 0.035 0.000 2.506 267 G HA2 0.416 4.376 3.960 0.000 0.000 0.292 267 G HA3 0.416 4.376 3.960 0.000 0.000 0.292 267 G C -2.099 172.812 174.900 0.020 0.000 1.425 267 G CA -0.484 44.634 45.100 0.030 0.000 0.788 267 G HN 0.004 nan 8.290 nan 0.000 0.490 268 V N -0.410 119.509 119.914 0.009 0.000 2.808 268 V HA 0.829 4.949 4.120 0.000 0.000 0.308 268 V C 0.242 176.336 176.094 -0.000 0.000 1.099 268 V CA 0.185 62.484 62.300 -0.001 0.000 0.920 268 V CB 1.891 33.709 31.823 -0.008 0.000 1.014 268 V HN 1.646 nan 8.190 nan 0.000 0.425 269 G N 6.662 115.464 108.800 0.003 0.000 2.393 269 G HA2 0.548 4.508 3.960 0.000 0.000 0.311 269 G HA3 0.548 4.508 3.960 0.000 0.000 0.311 269 G C -0.671 174.223 174.900 -0.010 0.000 1.067 269 G CA -0.441 44.660 45.100 0.001 0.000 1.000 269 G HN 0.747 nan 8.290 nan 0.000 0.422 270 L N 2.347 123.555 121.223 -0.026 0.000 2.292 270 L HA 0.434 4.774 4.340 0.000 0.000 0.284 270 L C 0.352 177.202 176.870 -0.033 0.000 1.065 270 L CA -0.380 54.442 54.840 -0.030 0.000 0.806 270 L CB 1.349 43.378 42.059 -0.051 0.000 1.175 270 L HN 0.333 nan 8.230 nan 0.000 0.431 271 K N 2.247 122.639 120.400 -0.015 0.000 2.413 271 K HA 0.270 4.590 4.320 0.000 0.000 0.257 271 K C 0.694 177.290 176.600 -0.006 0.000 0.946 271 K CA -0.642 55.633 56.287 -0.020 0.000 0.823 271 K CB 2.526 35.022 32.500 -0.006 0.000 1.109 271 K HN 0.296 nan 8.250 nan 0.000 0.427 272 V N 1.264 121.166 119.914 -0.021 0.000 2.250 272 V HA -0.343 3.777 4.120 0.000 0.000 0.250 272 V C 2.175 178.288 176.094 0.032 0.000 1.060 272 V CA 2.659 64.952 62.300 -0.012 0.000 1.030 272 V CB -0.611 31.199 31.823 -0.021 0.000 0.643 272 V HN 0.944 nan 8.190 nan 0.000 0.445 273 S N -0.254 115.473 115.700 0.044 0.000 2.461 273 S HA -0.165 4.305 4.470 0.000 0.000 0.228 273 S C 1.922 176.582 174.600 0.101 0.000 1.005 273 S CA 1.311 59.558 58.200 0.079 0.000 0.942 273 S CB -0.268 62.977 63.200 0.075 0.000 0.776 273 S HN 0.696 nan 8.310 nan 0.000 0.514 274 K N 0.662 121.120 120.400 0.096 0.000 2.076 274 K HA -0.018 4.302 4.320 0.000 0.000 0.204 274 K C 2.068 178.729 176.600 0.102 0.000 1.051 274 K CA 1.035 57.388 56.287 0.110 0.000 0.949 274 K CB -0.145 32.428 32.500 0.121 0.000 0.726 274 K HN 0.160 nan 8.250 nan 0.000 0.443 275 Q N -0.333 119.516 119.800 0.081 0.000 2.167 275 Q HA 0.045 4.385 4.340 0.000 0.000 0.202 275 Q C 1.239 177.330 176.000 0.151 0.000 0.970 275 Q CA 1.514 57.365 55.803 0.080 0.000 0.855 275 Q CB 0.068 28.816 28.738 0.016 0.000 0.911 275 Q HN 0.654 nan 8.270 nan 0.000 0.438 276 G N -1.501 107.399 108.800 0.167 0.000 2.143 276 G HA2 0.155 4.115 3.960 0.000 0.000 0.175 276 G HA3 0.155 4.115 3.960 0.000 0.000 0.175 276 G C 0.415 175.482 174.900 0.278 0.000 1.004 276 G CA 0.059 45.334 45.100 0.291 0.000 0.671 276 G HN 0.820 nan 8.290 nan 0.000 0.512 277 G N -1.187 107.687 108.800 0.124 0.000 2.373 277 G HA2 0.238 4.198 3.960 0.000 0.000 0.634 277 G HA3 0.238 4.198 3.960 0.000 0.000 0.634 277 G C 0.543 175.399 174.900 -0.073 0.000 1.267 277 G CA -0.133 45.017 45.100 0.083 0.000 1.008 277 G HN 0.736 nan 8.290 nan 0.000 0.497 278 I N 0.904 121.375 120.570 -0.165 0.000 2.252 278 I HA -0.062 4.108 4.170 0.000 0.000 0.245 278 I C 3.071 178.887 176.117 -0.502 0.000 1.102 278 I CA 2.566 63.567 61.300 -0.499 0.000 1.385 278 I CB -2.054 35.283 38.000 -1.105 0.000 1.064 278 I HN 0.671 nan 8.210 nan 0.000 0.414 279 T N 2.897 117.306 114.554 -0.241 0.000 2.607 279 T HA -0.096 4.254 4.350 0.000 0.000 0.267 279 T C -0.279 174.177 174.700 -0.405 0.000 1.049 279 T CA 2.058 64.046 62.100 -0.187 0.000 1.162 279 T CB -1.461 67.414 68.868 0.012 0.000 0.863 279 T HN 0.317 nan 8.240 nan 0.000 0.424 280 P HA 0.048 nan 4.420 nan 0.000 0.222 280 P C 1.626 178.778 177.300 -0.247 0.000 1.153 280 P CA 0.845 63.680 63.100 -0.442 0.000 0.798 280 P CB -0.162 31.273 31.700 -0.442 0.000 0.796 281 M N -0.343 119.124 119.600 -0.222 0.000 2.082 281 M HA -0.122 4.358 4.480 0.000 0.000 0.258 281 M C 2.380 178.553 176.300 -0.212 0.000 1.069 281 M CA 1.590 56.775 55.300 -0.193 0.000 1.102 281 M CB -1.586 30.893 32.600 -0.203 0.000 1.336 281 M HN -0.014 nan 8.290 nan 0.000 0.404 282 L N -1.031 120.028 121.223 -0.274 0.000 2.046 282 L HA -0.217 4.123 4.340 0.000 0.000 0.208 282 L C 2.661 179.429 176.870 -0.170 0.000 1.077 282 L CA 1.195 55.891 54.840 -0.241 0.000 0.747 282 L CB -0.695 41.184 42.059 -0.300 0.000 0.896 282 L HN 0.297 nan 8.230 nan 0.000 0.432 283 R N -0.029 120.365 120.500 -0.178 0.000 2.083 283 R HA -0.195 4.145 4.340 0.000 0.000 0.237 283 R C 2.366 178.608 176.300 -0.097 0.000 1.137 283 R CA 1.637 57.659 56.100 -0.131 0.000 0.951 283 R CB -0.378 29.826 30.300 -0.160 0.000 0.851 283 R HN 0.484 nan 8.270 nan 0.000 0.434 284 Q N -0.086 119.652 119.800 -0.104 0.000 2.119 284 Q HA -0.158 4.182 4.340 0.000 0.000 0.201 284 Q C 2.206 178.164 176.000 -0.070 0.000 0.972 284 Q CA 1.198 56.960 55.803 -0.069 0.000 0.847 284 Q CB -0.158 28.545 28.738 -0.057 0.000 0.903 284 Q HN 0.266 nan 8.270 nan 0.000 0.433 285 R N 0.746 121.190 120.500 -0.094 0.000 2.083 285 R HA -0.169 4.171 4.340 0.000 0.000 0.237 285 R C 2.191 178.446 176.300 -0.076 0.000 1.137 285 R CA 1.406 57.450 56.100 -0.093 0.000 0.951 285 R CB -0.291 29.938 30.300 -0.118 0.000 0.851 285 R HN 0.246 nan 8.270 nan 0.000 0.434 286 A N 0.792 123.569 122.820 -0.072 0.000 1.902 286 A HA -0.136 4.184 4.320 0.000 0.000 0.217 286 A C 2.152 179.714 177.584 -0.036 0.000 1.181 286 A CA 1.509 53.515 52.037 -0.051 0.000 0.623 286 A CB -0.486 18.486 19.000 -0.046 0.000 0.818 286 A HN 0.383 nan 8.150 nan 0.000 0.443 287 I N -0.295 120.255 120.570 -0.034 0.000 2.179 287 I HA -0.263 3.907 4.170 0.000 0.000 0.242 287 I C 2.986 179.094 176.117 -0.016 0.000 1.088 287 I CA 1.115 62.404 61.300 -0.018 0.000 1.357 287 I CB -0.352 37.642 38.000 -0.010 0.000 1.051 287 I HN 0.339 nan 8.210 nan 0.000 0.409 288 A N 0.697 123.502 122.820 -0.025 0.000 1.902 288 A HA -0.179 4.141 4.320 0.000 0.000 0.217 288 A C 2.538 180.101 177.584 -0.035 0.000 1.181 288 A CA 1.915 53.936 52.037 -0.027 0.000 0.623 288 A CB -0.935 18.042 19.000 -0.039 0.000 0.818 288 A HN 0.436 nan 8.150 nan 0.000 0.443 289 A N -0.093 122.699 122.820 -0.047 0.000 1.908 289 A HA 0.121 4.441 4.320 0.000 0.000 0.218 289 A C 2.511 180.087 177.584 -0.014 0.000 1.181 289 A CA 2.198 54.207 52.037 -0.046 0.000 0.627 289 A CB -1.056 17.913 19.000 -0.051 0.000 0.818 289 A HN 1.118 nan 8.150 nan 0.000 0.445 290 A N -0.341 122.474 122.820 -0.009 0.000 1.940 290 A HA 0.168 4.488 4.320 0.000 0.000 0.219 290 A C 2.287 179.876 177.584 0.009 0.000 1.176 290 A CA 1.955 53.994 52.037 0.003 0.000 0.631 290 A CB -0.778 18.223 19.000 0.001 0.000 0.814 290 A HN 1.151 nan 8.150 nan 0.000 0.446 291 A N -1.858 120.965 122.820 0.006 0.000 2.238 291 A HA 0.418 4.738 4.320 0.000 0.000 0.208 291 A C 1.766 179.359 177.584 0.014 0.000 1.177 291 A CA 1.137 53.181 52.037 0.012 0.000 0.804 291 A CB -0.989 18.020 19.000 0.015 0.000 0.823 291 A HN 1.895 nan 8.150 nan 0.000 0.482 292 G N -1.167 107.639 108.800 0.010 0.000 2.153 292 G HA2 -0.284 3.676 3.960 0.000 0.000 0.252 292 G HA3 -0.284 3.676 3.960 0.000 0.000 0.252 292 G C 0.177 175.077 174.900 -0.001 0.000 0.994 292 G CA 0.546 45.655 45.100 0.016 0.000 0.698 292 G HN 0.443 nan 8.290 nan 0.000 0.521 293 M N 0.840 120.432 119.600 -0.013 0.000 2.217 293 M HA 0.435 4.915 4.480 0.000 0.000 0.354 293 M C 1.236 177.506 176.300 -0.049 0.000 1.225 293 M CA -0.406 54.885 55.300 -0.015 0.000 1.137 293 M CB 1.259 33.854 32.600 -0.009 0.000 1.576 293 M HN 0.355 nan 8.290 nan 0.000 0.461 294 V N 2.008 121.898 119.914 -0.041 0.000 3.003 294 V HA 0.530 4.650 4.120 0.000 0.000 0.305 294 V C -0.271 175.776 176.094 -0.078 0.000 1.078 294 V CA -0.630 61.618 62.300 -0.088 0.000 1.083 294 V CB 1.131 32.909 31.823 -0.076 0.000 1.039 294 V HN 0.915 nan 8.190 nan 0.000 0.481 295 M N 2.753 122.278 119.600 -0.124 0.000 2.267 295 M HA 0.394 4.874 4.480 0.000 0.000 0.289 295 M C -0.535 175.688 176.300 -0.127 0.000 1.043 295 M CA -0.119 55.120 55.300 -0.102 0.000 0.928 295 M CB 2.303 34.835 32.600 -0.115 0.000 1.613 295 M HN 0.836 nan 8.290 nan 0.000 0.450 296 S N 2.375 118.029 115.700 -0.077 0.000 2.457 296 S HA 0.609 5.079 4.470 0.000 0.000 0.289 296 S C -0.785 173.772 174.600 -0.072 0.000 1.163 296 S CA -0.609 57.545 58.200 -0.077 0.000 1.078 296 S CB 0.601 63.803 63.200 0.003 0.000 0.987 296 S HN 0.484 nan 8.310 nan 0.000 0.482 297 V N 6.738 126.599 119.914 -0.088 0.000 2.333 297 V HA 0.488 4.608 4.120 0.000 0.000 0.274 297 V C 0.155 176.208 176.094 -0.069 0.000 1.028 297 V CA -0.283 61.965 62.300 -0.085 0.000 0.851 297 V CB 0.814 32.574 31.823 -0.106 0.000 1.000 297 V HN 0.911 nan 8.190 nan 0.000 0.456 298 Q N 2.576 122.336 119.800 -0.065 0.000 2.893 298 Q HA 0.594 4.934 4.340 0.000 0.000 0.331 298 Q C -1.554 174.405 176.000 -0.070 0.000 0.893 298 Q CA -0.917 54.847 55.803 -0.065 0.000 0.783 298 Q CB 2.560 31.247 28.738 -0.084 0.000 1.440 298 Q HN 0.668 nan 8.270 nan 0.000 0.508 299 D N -1.157 119.186 120.400 -0.096 0.000 2.626 299 D HA 0.231 4.871 4.640 0.000 0.000 0.278 299 D C 0.349 176.529 176.300 -0.200 0.000 1.211 299 D CA 0.073 54.013 54.000 -0.100 0.000 0.903 299 D CB 1.821 42.586 40.800 -0.058 0.000 1.408 299 D HN 0.579 nan 8.370 nan 0.000 0.454 300 T N -1.294 113.141 114.554 -0.198 0.000 2.622 300 T HA 0.096 4.446 4.350 0.000 0.000 0.266 300 T C 1.099 175.561 174.700 -0.397 0.000 1.047 300 T CA 1.371 63.254 62.100 -0.361 0.000 1.159 300 T CB -0.135 68.630 68.868 -0.170 0.000 0.863 300 T HN 0.377 nan 8.240 nan 0.000 0.422 301 V N -1.346 118.424 119.914 -0.241 0.000 3.298 301 V HA 0.602 4.722 4.120 0.000 0.000 0.276 301 V C -0.759 175.237 176.094 -0.163 0.000 1.699 301 V CA 0.048 62.179 62.300 -0.281 0.000 1.039 301 V CB 1.389 32.900 31.823 -0.521 0.000 1.243 301 V HN 1.137 nan 8.190 nan 0.000 0.472 302 G N 1.607 110.328 108.800 -0.131 0.000 2.323 302 G HA2 0.622 4.582 3.960 0.000 0.000 0.291 302 G HA3 0.622 4.582 3.960 0.000 0.000 0.291 302 G C -0.459 174.438 174.900 -0.005 0.000 1.278 302 G CA 0.520 45.598 45.100 -0.036 0.000 0.860 302 G HN 1.923 nan 8.290 nan 0.000 0.504 303 S N -1.114 114.603 115.700 0.029 0.000 2.448 303 S HA 0.409 4.879 4.470 0.000 0.000 0.271 303 S C 1.356 175.993 174.600 0.061 0.000 1.145 303 S CA 0.389 58.607 58.200 0.029 0.000 1.022 303 S CB 0.516 63.727 63.200 0.019 0.000 1.202 303 S HN 0.527 nan 8.310 nan 0.000 0.479 304 Q N 0.298 120.129 119.800 0.052 0.000 2.226 304 Q HA 0.159 4.499 4.340 0.000 0.000 0.204 304 Q C 1.883 177.964 176.000 0.134 0.000 0.975 304 Q CA 1.403 57.275 55.803 0.116 0.000 0.866 304 Q CB -0.829 27.942 28.738 0.055 0.000 0.915 304 Q HN 0.661 nan 8.270 nan 0.000 0.440 305 I N -0.555 120.058 120.570 0.072 0.000 2.233 305 I HA -0.253 3.917 4.170 0.000 0.000 0.243 305 I C 2.379 178.554 176.117 0.098 0.000 1.093 305 I CA 1.185 62.529 61.300 0.073 0.000 1.380 305 I CB -0.430 37.605 38.000 0.057 0.000 1.067 305 I HN 0.192 nan 8.210 nan 0.000 0.413 306 S N 1.005 116.762 115.700 0.096 0.000 2.353 306 S HA -0.265 4.205 4.470 0.000 0.000 0.222 306 S C 2.182 176.842 174.600 0.102 0.000 1.035 306 S CA 1.449 59.699 58.200 0.083 0.000 1.025 306 S CB -0.587 62.649 63.200 0.061 0.000 0.902 306 S HN 0.414 nan 8.310 nan 0.000 0.440 307 F N 2.711 122.651 119.950 -0.015 0.000 2.120 307 F HA -0.094 4.433 4.527 0.000 0.000 0.300 307 F C 2.338 178.132 175.800 -0.011 0.000 1.095 307 F CA 1.198 59.184 58.000 -0.024 0.000 1.249 307 F CB -1.137 37.846 39.000 -0.028 0.000 0.995 307 F HN 0.302 nan 8.300 nan 0.000 0.480 308 A N 0.392 123.151 122.820 -0.101 0.000 1.883 308 A HA -0.102 4.218 4.320 0.000 0.000 0.217 308 A C 2.498 180.049 177.584 -0.055 0.000 1.186 308 A CA 2.223 54.187 52.037 -0.123 0.000 0.624 308 A CB -1.650 17.386 19.000 0.060 0.000 0.822 308 A HN 0.530 nan 8.150 nan 0.000 0.444 309 A N -0.160 122.648 122.820 -0.021 0.000 1.883 309 A HA -0.128 4.192 4.320 0.000 0.000 0.217 309 A C 2.150 179.672 177.584 -0.103 0.000 1.186 309 A CA 1.659 53.678 52.037 -0.031 0.000 0.624 309 A CB -0.674 18.317 19.000 -0.015 0.000 0.822 309 A HN 0.511 nan 8.150 nan 0.000 0.444 310 I N -1.075 119.406 120.570 -0.148 0.000 2.163 310 I HA -0.241 3.929 4.170 0.000 0.000 0.243 310 I C 2.429 178.395 176.117 -0.251 0.000 1.085 310 I CA 1.247 62.447 61.300 -0.166 0.000 1.347 310 I CB -0.259 37.675 38.000 -0.109 0.000 1.044 310 I HN 0.359 nan 8.210 nan 0.000 0.408 311 L N 0.106 121.052 121.223 -0.460 0.000 2.056 311 L HA -0.220 4.120 4.340 0.000 0.000 0.207 311 L C 2.622 179.265 176.870 -0.377 0.000 1.078 311 L CA 1.983 56.508 54.840 -0.525 0.000 0.749 311 L CB -0.974 40.557 42.059 -0.880 0.000 0.901 311 L HN 0.260 nan 8.230 nan 0.000 0.433 312 H N -0.773 118.150 119.070 -0.246 0.000 2.321 312 H HA -0.096 4.460 4.556 0.000 0.000 0.300 312 H C 2.350 177.573 175.328 -0.175 0.000 1.087 312 H CA 1.977 57.919 56.048 -0.177 0.000 1.319 312 H CB -0.151 29.524 29.762 -0.146 0.000 1.379 312 H HN 0.320 nan 8.280 nan 0.000 0.501 313 L N 0.169 121.345 121.223 -0.079 0.000 2.017 313 L HA -0.171 4.169 4.340 0.000 0.000 0.208 313 L C 2.927 179.717 176.870 -0.134 0.000 1.073 313 L CA 1.072 55.829 54.840 -0.137 0.000 0.745 313 L CB -0.483 41.477 42.059 -0.165 0.000 0.894 313 L HN 0.210 nan 8.230 nan 0.000 0.432 314 A N -0.708 122.026 122.820 -0.143 0.000 1.933 314 A HA -0.282 4.038 4.320 0.000 0.000 0.218 314 A C 2.184 179.692 177.584 -0.126 0.000 1.175 314 A CA 1.757 53.713 52.037 -0.136 0.000 0.628 314 A CB -0.517 18.400 19.000 -0.138 0.000 0.814 314 A HN 0.402 nan 8.150 nan 0.000 0.444 315 Q N 0.720 120.442 119.800 -0.130 0.000 2.226 315 Q HA -0.111 4.229 4.340 0.000 0.000 0.204 315 Q C 1.808 177.760 176.000 -0.079 0.000 0.975 315 Q CA 1.916 57.653 55.803 -0.109 0.000 0.866 315 Q CB -0.332 28.331 28.738 -0.125 0.000 0.915 315 Q HN 0.723 nan 8.270 nan 0.000 0.440 316 S N -2.195 113.458 115.700 -0.078 0.000 2.572 316 S HA 0.215 4.685 4.470 0.000 0.000 0.228 316 S C 0.099 174.651 174.600 -0.080 0.000 0.963 316 S CA -0.453 57.706 58.200 -0.068 0.000 0.939 316 S CB 0.329 63.489 63.200 -0.065 0.000 0.804 316 S HN 0.067 nan 8.310 nan 0.000 0.480 317 T N 5.067 119.564 114.554 -0.095 0.000 2.806 317 T HA 0.428 4.778 4.350 0.000 0.000 0.290 317 T C -2.810 171.834 174.700 -0.095 0.000 0.966 317 T CA -1.293 60.743 62.100 -0.106 0.000 1.060 317 T CB 0.985 69.776 68.868 -0.128 0.000 0.927 317 T HN 0.103 nan 8.240 nan 0.000 0.485 318 P HA 0.134 nan 4.420 nan 0.000 0.261 318 P C 0.600 177.839 177.300 -0.102 0.000 1.183 318 P CA -0.173 62.896 63.100 -0.052 0.000 0.761 318 P CB 0.569 32.248 31.700 -0.035 0.000 0.785 319 R N 3.492 123.977 120.500 -0.024 0.000 2.115 319 R HA -0.171 4.169 4.340 0.000 0.000 0.230 319 R C 1.993 178.256 176.300 -0.063 0.000 1.111 319 R CA 1.827 57.895 56.100 -0.054 0.000 0.976 319 R CB -1.179 29.105 30.300 -0.026 0.000 0.870 319 R HN 0.700 nan 8.270 nan 0.000 0.445 320 H N -1.803 117.219 119.070 -0.079 0.000 2.491 320 H HA 0.036 4.592 4.556 0.000 0.000 0.290 320 H C 1.446 176.718 175.328 -0.093 0.000 1.050 320 H CA 1.419 57.419 56.048 -0.079 0.000 1.309 320 H CB -0.157 29.572 29.762 -0.054 0.000 1.392 320 H HN 0.205 nan 8.280 nan 0.000 0.554 321 L N -0.079 120.764 121.223 -0.633 0.000 2.307 321 L HA 0.129 4.469 4.340 0.000 0.000 0.211 321 L C 0.533 177.227 176.870 -0.292 0.000 1.099 321 L CA -0.371 54.213 54.840 -0.427 0.000 0.816 321 L CB -0.016 41.780 42.059 -0.438 0.000 0.952 321 L HN 0.201 nan 8.230 nan 0.000 0.455 322 L N 1.672 122.734 121.223 -0.268 0.000 2.499 322 L HA 0.031 4.371 4.340 0.000 0.000 0.273 322 L C 0.275 176.943 176.870 -0.338 0.000 1.195 322 L CA 0.782 55.473 54.840 -0.249 0.000 0.882 322 L CB 0.034 41.973 42.059 -0.199 0.000 1.133 322 L HN 0.094 nan 8.230 nan 0.000 0.483 323 R N 4.343 124.604 120.500 -0.399 0.000 2.651 323 R HA 0.365 4.705 4.340 0.000 0.000 0.282 323 R C -0.881 175.148 176.300 -0.452 0.000 1.565 323 R CA -0.350 55.343 56.100 -0.677 0.000 1.661 323 R CB -0.081 29.555 30.300 -1.107 0.000 1.189 323 R HN 0.852 nan 8.270 nan 0.000 0.621 324 C N -0.350 118.773 119.300 -0.295 0.000 0.168 324 C HA -0.100 4.360 4.460 0.000 0.000 0.017 324 C C 0.548 175.475 174.990 -0.104 0.000 0.171 324 C CA -0.536 58.388 59.018 -0.158 0.000 0.499 324 C CB -0.737 26.943 27.740 -0.100 0.000 3.212 324 C HN 0.832 nan 8.230 nan 0.000 1.118 325 A N 1.550 124.338 122.820 -0.053 0.000 2.356 325 A HA 0.872 5.192 4.320 0.000 0.000 0.323 325 A C -0.835 176.767 177.584 0.030 0.000 1.119 325 A CA -0.492 51.531 52.037 -0.025 0.000 0.790 325 A CB 1.043 20.025 19.000 -0.030 0.000 1.273 325 A HN 1.845 nan 8.150 nan 0.000 0.452 326 L N 1.040 122.285 121.223 0.037 0.000 2.292 326 L HA 0.491 4.831 4.340 0.000 0.000 0.284 326 L C -0.568 176.389 176.870 0.145 0.000 1.065 326 L CA -0.083 54.782 54.840 0.041 0.000 0.806 326 L CB 1.134 43.179 42.059 -0.023 0.000 1.175 326 L HN 0.639 nan 8.230 nan 0.000 0.431 327 D N 2.423 122.865 120.400 0.070 0.000 2.428 327 D HA 0.134 4.774 4.640 0.000 0.000 0.221 327 D C 1.063 177.271 176.300 -0.153 0.000 1.123 327 D CA 0.189 54.135 54.000 -0.091 0.000 0.869 327 D CB 1.181 41.849 40.800 -0.221 0.000 1.032 327 D HN 0.746 nan 8.370 nan 0.000 0.506 328 T N 1.349 115.852 114.554 -0.084 0.000 3.035 328 T HA -0.080 4.270 4.350 0.000 0.000 0.268 328 T C 1.686 176.314 174.700 -0.121 0.000 1.109 328 T CA 0.511 62.568 62.100 -0.073 0.000 1.119 328 T CB -0.041 68.825 68.868 -0.004 0.000 0.900 328 T HN 0.315 nan 8.240 nan 0.000 0.503 329 R N 1.223 121.573 120.500 -0.250 0.000 2.193 329 R HA 0.179 4.519 4.340 0.000 0.000 0.229 329 R C 2.691 178.914 176.300 -0.128 0.000 1.110 329 R CA 1.050 57.025 56.100 -0.208 0.000 0.988 329 R CB -0.504 29.596 30.300 -0.333 0.000 0.871 329 R HN 0.528 nan 8.270 nan 0.000 0.458 330 A N 0.265 123.010 122.820 -0.126 0.000 2.168 330 A HA -0.036 4.284 4.320 0.000 0.000 0.215 330 A C 1.857 179.441 177.584 0.000 0.000 1.152 330 A CA 0.894 52.895 52.037 -0.060 0.000 0.716 330 A CB -0.161 18.794 19.000 -0.076 0.000 0.794 330 A HN 0.199 nan 8.150 nan 0.000 0.465 331 M N -0.903 118.707 119.600 0.016 0.000 2.516 331 M HA 0.085 4.566 4.480 0.000 0.000 0.259 331 M C 0.971 177.373 176.300 0.169 0.000 1.146 331 M CA 1.011 56.376 55.300 0.109 0.000 1.122 331 M CB 0.485 33.120 32.600 0.057 0.000 1.341 331 M HN 0.469 nan 8.290 nan 0.000 0.478 332 T N -3.755 110.860 114.554 0.101 0.000 2.864 332 T HA 0.306 4.656 4.350 0.000 0.000 0.289 332 T C 0.372 175.115 174.700 0.072 0.000 1.082 332 T CA -0.626 61.557 62.100 0.138 0.000 1.009 332 T CB 2.143 71.117 68.868 0.177 0.000 1.234 332 T HN -0.173 nan 8.240 nan 0.000 0.526 333 T N 0.707 115.306 114.554 0.075 0.000 3.044 333 T HA 0.508 4.858 4.350 0.000 0.000 0.250 333 T C 0.969 175.687 174.700 0.030 0.000 1.081 333 T CA 0.351 62.477 62.100 0.044 0.000 1.040 333 T CB -0.549 68.346 68.868 0.046 0.000 0.962 333 T HN 0.974 nan 8.240 nan 0.000 0.506 334 A N 1.968 124.811 122.820 0.039 0.000 2.466 334 A HA 0.344 4.664 4.320 0.000 0.000 0.238 334 A C 0.069 177.655 177.584 0.002 0.000 1.074 334 A CA -0.010 52.041 52.037 0.024 0.000 0.774 334 A CB 0.256 19.278 19.000 0.037 0.000 1.015 334 A HN 0.362 nan 8.150 nan 0.000 0.498 335 E N 2.998 123.192 120.200 -0.010 0.000 2.873 335 E HA 0.246 4.596 4.350 0.000 0.000 0.232 335 E C -0.263 176.310 176.600 -0.045 0.000 1.123 335 E CA -0.139 56.246 56.400 -0.025 0.000 0.809 335 E CB 0.485 30.171 29.700 -0.022 0.000 1.366 335 E HN 0.645 nan 8.360 nan 0.000 0.400 336 L N -0.136 121.051 121.223 -0.060 0.000 2.529 336 L HA 0.388 4.728 4.340 0.000 0.000 0.223 336 L C 0.836 177.608 176.870 -0.163 0.000 1.113 336 L CA 0.280 55.056 54.840 -0.107 0.000 0.861 336 L CB 0.172 42.168 42.059 -0.104 0.000 1.012 336 L HN 0.284 nan 8.230 nan 0.000 0.461 337 A N -0.157 122.590 122.820 -0.122 0.000 2.605 337 A HA 0.519 4.839 4.320 0.000 0.000 0.294 337 A C -1.166 176.378 177.584 -0.067 0.000 1.062 337 A CA -0.657 51.299 52.037 -0.134 0.000 0.682 337 A CB 1.100 19.996 19.000 -0.173 0.000 1.278 337 A HN 0.075 nan 8.150 nan 0.000 0.410 338 E N 0.355 120.522 120.200 -0.056 0.000 2.249 338 E HA 0.578 4.928 4.350 0.000 0.000 0.280 338 E C -1.078 175.526 176.600 0.005 0.000 1.016 338 E CA -0.274 56.114 56.400 -0.019 0.000 0.830 338 E CB 2.217 31.907 29.700 -0.016 0.000 1.081 338 E HN 0.527 nan 8.360 nan 0.000 0.395 339 I N 1.682 122.273 120.570 0.035 0.000 2.607 339 I HA 0.141 4.311 4.170 0.000 0.000 0.290 339 I C -1.392 174.761 176.117 0.061 0.000 1.129 339 I CA -0.694 60.644 61.300 0.063 0.000 1.042 339 I CB 1.873 39.942 38.000 0.114 0.000 1.242 339 I HN 0.373 nan 8.210 nan 0.000 0.421 340 D N 6.866 127.294 120.400 0.047 0.000 2.517 340 D HA 0.559 5.199 4.640 0.000 0.000 0.220 340 D C -0.460 175.862 176.300 0.037 0.000 1.158 340 D CA 0.151 54.172 54.000 0.035 0.000 0.992 340 D CB 0.541 41.355 40.800 0.023 0.000 1.058 340 D HN 0.576 nan 8.370 nan 0.000 0.516 341 A N 3.970 126.829 122.820 0.065 0.000 3.422 341 A HA 0.340 4.660 4.320 0.000 0.000 0.271 341 A C -2.612 175.026 177.584 0.091 0.000 1.104 341 A CA -0.996 51.090 52.037 0.081 0.000 0.899 341 A CB 0.388 19.460 19.000 0.120 0.000 1.309 341 A HN 0.316 nan 8.150 nan 0.000 0.580 342 P HA 0.155 nan 4.420 nan 0.000 0.271 342 P C -0.212 177.086 177.300 -0.002 0.000 1.218 342 P CA -0.138 62.965 63.100 0.006 0.000 0.780 342 P CB 1.033 32.729 31.700 -0.008 0.000 0.901 343 L N 4.037 125.243 121.223 -0.028 0.000 2.312 343 L HA 0.202 4.542 4.340 0.000 0.000 0.287 343 L C 0.774 177.593 176.870 -0.084 0.000 1.091 343 L CA -0.435 54.374 54.840 -0.052 0.000 0.846 343 L CB -0.206 41.819 42.059 -0.057 0.000 1.219 343 L HN 0.413 nan 8.230 nan 0.000 0.439 344 R N 3.798 124.243 120.500 -0.092 0.000 2.437 344 R HA 0.292 4.632 4.340 0.000 0.000 0.310 344 R C -0.691 175.521 176.300 -0.147 0.000 0.955 344 R CA -0.830 55.209 56.100 -0.102 0.000 0.851 344 R CB 1.348 31.609 30.300 -0.065 0.000 1.161 344 R HN 0.497 nan 8.270 nan 0.000 0.446 345 D N 2.264 122.559 120.400 -0.174 0.000 2.740 345 D HA -0.189 4.451 4.640 0.000 0.000 0.231 345 D C 0.781 176.900 176.300 -0.302 0.000 1.194 345 D CA 1.935 55.809 54.000 -0.209 0.000 0.673 345 D CB -0.736 39.989 40.800 -0.125 0.000 0.995 345 D HN 1.123 nan 8.370 nan 0.000 0.411 346 G N -0.538 107.935 108.800 -0.545 0.000 2.203 346 G HA2 -0.125 3.835 3.960 0.000 0.000 0.263 346 G HA3 -0.125 3.835 3.960 0.000 0.000 0.263 346 G C 0.536 175.250 174.900 -0.309 0.000 1.012 346 G CA 0.596 45.277 45.100 -0.700 0.000 0.749 346 G HN 0.942 nan 8.290 nan 0.000 0.512 347 G N -1.765 106.910 108.800 -0.209 0.000 2.690 347 G HA2 1.002 4.962 3.960 0.000 0.000 0.293 347 G HA3 1.002 4.962 3.960 0.000 0.000 0.293 347 G C -0.713 174.150 174.900 -0.061 0.000 1.399 347 G CA 0.263 45.298 45.100 -0.107 0.000 0.890 347 G HN 1.718 nan 8.290 nan 0.000 0.485 348 A N 0.144 122.950 122.820 -0.025 0.000 2.549 348 A HA 0.875 5.195 4.320 0.000 0.000 0.297 348 A C -0.474 177.090 177.584 -0.033 0.000 1.061 348 A CA -0.550 51.492 52.037 0.009 0.000 0.690 348 A CB 1.734 20.810 19.000 0.128 0.000 1.287 348 A HN 1.178 nan 8.150 nan 0.000 0.402 349 S N 0.608 116.280 115.700 -0.046 0.000 2.500 349 S HA 0.721 5.191 4.470 0.000 0.000 0.301 349 S C 0.219 174.741 174.600 -0.128 0.000 1.092 349 S CA -0.115 58.035 58.200 -0.083 0.000 1.030 349 S CB 1.724 64.888 63.200 -0.061 0.000 1.031 349 S HN 1.634 nan 8.310 nan 0.000 0.483 350 A N 4.389 127.082 122.820 -0.212 0.000 2.462 350 A HA 0.511 4.831 4.320 0.000 0.000 0.243 350 A C -1.923 175.543 177.584 -0.196 0.000 1.076 350 A CA -0.948 50.867 52.037 -0.370 0.000 0.773 350 A CB -0.619 18.034 19.000 -0.577 0.000 1.010 350 A HN 0.548 nan 8.150 nan 0.000 0.493 351 P HA 0.078 nan 4.420 nan 0.000 0.271 351 P C 0.523 177.860 177.300 0.062 0.000 1.244 351 P CA 0.216 63.311 63.100 -0.009 0.000 0.793 351 P CB 0.685 32.405 31.700 0.034 0.000 0.984 352 S N -2.502 113.232 115.700 0.056 0.000 2.539 352 S HA 0.106 4.576 4.470 0.000 0.000 0.221 352 S C 0.071 174.708 174.600 0.062 0.000 0.987 352 S CA -0.404 57.832 58.200 0.060 0.000 0.929 352 S CB -0.719 62.500 63.200 0.032 0.000 0.832 352 S HN 0.337 nan 8.310 nan 0.000 0.492 353 D N 3.877 124.317 120.400 0.068 0.000 2.423 353 D HA 0.297 4.937 4.640 0.000 0.000 0.238 353 D C -2.616 173.714 176.300 0.050 0.000 1.142 353 D CA -0.829 53.205 54.000 0.056 0.000 0.884 353 D CB 0.160 40.995 40.800 0.059 0.000 1.199 353 D HN 0.167 nan 8.370 nan 0.000 0.438 354 P HA 0.154 nan 4.420 nan 0.000 0.267 354 P C 0.605 177.910 177.300 0.009 0.000 1.200 354 P CA 0.459 63.570 63.100 0.019 0.000 0.772 354 P CB 0.697 32.410 31.700 0.023 0.000 0.855 355 G N 1.351 110.134 108.800 -0.029 0.000 2.527 355 G HA2 -0.266 3.694 3.960 0.000 0.000 0.227 355 G HA3 -0.266 3.694 3.960 0.000 0.000 0.227 355 G C 0.600 175.408 174.900 -0.154 0.000 1.291 355 G CA -0.148 44.928 45.100 -0.040 0.000 0.904 355 G HN 0.453 nan 8.290 nan 0.000 0.577 356 L N 1.904 123.088 121.223 -0.065 0.000 2.362 356 L HA 0.284 4.624 4.340 0.000 0.000 0.219 356 L C 2.392 179.357 176.870 0.159 0.000 1.134 356 L CA 1.307 56.129 54.840 -0.030 0.000 0.807 356 L CB -0.632 41.476 42.059 0.081 0.000 0.927 356 L HN 2.206 nan 8.230 nan 0.000 0.447 357 G N 0.782 109.649 108.800 0.110 0.000 2.198 357 G HA2 -0.277 3.683 3.960 0.000 0.000 0.257 357 G HA3 -0.277 3.683 3.960 0.000 0.000 0.257 357 G C -0.029 174.923 174.900 0.088 0.000 1.042 357 G CA -0.072 45.097 45.100 0.116 0.000 0.791 357 G HN 0.228 nan 8.290 nan 0.000 0.502 358 L N -0.851 120.417 121.223 0.076 0.000 2.360 358 L HA 0.679 5.019 4.340 0.000 0.000 0.271 358 L C 1.017 177.885 176.870 -0.002 0.000 1.057 358 L CA -0.923 53.933 54.840 0.027 0.000 0.803 358 L CB 1.360 43.417 42.059 -0.003 0.000 1.207 358 L HN 0.115 nan 8.230 nan 0.000 0.445 359 R N 1.869 122.342 120.500 -0.045 0.000 2.352 359 R HA 0.398 4.738 4.340 0.000 0.000 0.304 359 R C -1.242 174.970 176.300 -0.147 0.000 1.104 359 R CA -0.551 55.513 56.100 -0.060 0.000 0.991 359 R CB 1.565 31.849 30.300 -0.027 0.000 1.140 359 R HN 0.295 nan 8.270 nan 0.000 0.540 360 V N 2.832 122.585 119.914 -0.268 0.000 2.530 360 V HA 0.038 4.158 4.120 0.000 0.000 0.282 360 V C 0.491 176.403 176.094 -0.303 0.000 1.048 360 V CA -0.515 61.503 62.300 -0.471 0.000 0.997 360 V CB 1.187 32.311 31.823 -1.165 0.000 0.987 360 V HN 0.554 nan 8.190 nan 0.000 0.477 361 N N 3.895 122.442 118.700 -0.255 0.000 2.482 361 N HA 0.148 4.888 4.740 0.000 0.000 0.242 361 N C 1.056 176.462 175.510 -0.174 0.000 1.100 361 N CA 0.061 53.015 53.050 -0.160 0.000 0.946 361 N CB 0.155 38.577 38.487 -0.108 0.000 1.227 361 N HN 0.513 nan 8.380 nan 0.000 0.508 362 R N 1.721 122.147 120.500 -0.124 0.000 2.152 362 R HA -0.064 4.276 4.340 0.000 0.000 0.232 362 R C 0.454 176.738 176.300 -0.027 0.000 1.117 362 R CA 1.257 57.315 56.100 -0.071 0.000 0.981 362 R CB 0.282 30.611 30.300 0.048 0.000 0.870 362 R HN 0.514 nan 8.270 nan 0.000 0.451 363 D N -0.118 120.271 120.400 -0.018 0.000 2.178 363 D HA -0.114 4.526 4.640 0.000 0.000 0.202 363 D C 1.510 177.806 176.300 -0.007 0.000 0.974 363 D CA 1.335 55.335 54.000 0.000 0.000 0.841 363 D CB -0.109 40.691 40.800 0.000 0.000 0.953 363 D HN 0.313 nan 8.370 nan 0.000 0.478 364 A N 0.184 122.982 122.820 -0.037 0.000 2.066 364 A HA -0.014 4.306 4.320 0.000 0.000 0.218 364 A C 2.158 179.727 177.584 -0.025 0.000 1.157 364 A CA 0.534 52.550 52.037 -0.034 0.000 0.670 364 A CB -0.391 18.574 19.000 -0.058 0.000 0.804 364 A HN 0.213 nan 8.150 nan 0.000 0.453 365 L N -1.416 119.783 121.223 -0.039 0.000 2.446 365 L HA 0.263 4.603 4.340 0.000 0.000 0.219 365 L C 1.396 178.322 176.870 0.093 0.000 1.116 365 L CA 0.367 55.198 54.840 -0.016 0.000 0.844 365 L CB -0.858 41.093 42.059 -0.180 0.000 0.970 365 L HN 0.573 nan 8.230 nan 0.000 0.457 366 G N 0.369 109.220 108.800 0.086 0.000 2.828 366 G HA2 -0.268 3.692 3.960 0.000 0.000 0.463 366 G HA3 -0.268 3.692 3.960 0.000 0.000 0.463 366 G C -0.119 174.884 174.900 0.172 0.000 1.394 366 G CA -0.260 44.905 45.100 0.107 0.000 0.862 366 G HN 0.046 nan 8.290 nan 0.000 0.540 367 T N 1.749 116.378 114.554 0.126 0.000 2.919 367 T HA 0.520 4.870 4.350 0.000 0.000 0.302 367 T C -1.769 172.987 174.700 0.093 0.000 1.031 367 T CA -0.333 61.836 62.100 0.115 0.000 1.127 367 T CB 0.295 69.198 68.868 0.058 0.000 0.952 367 T HN 0.539 nan 8.240 nan 0.000 0.540 368 P HA 0.052 nan 4.420 nan 0.000 0.264 368 P C 1.018 178.251 177.300 -0.111 0.000 1.193 368 P CA -0.266 62.715 63.100 -0.198 0.000 0.763 368 P CB 0.406 31.935 31.700 -0.286 0.000 0.810 369 V N 0.004 119.863 119.914 -0.092 0.000 2.759 369 V HA 0.010 4.131 4.120 0.000 0.000 0.256 369 V C 0.649 176.682 176.094 -0.101 0.000 1.080 369 V CA 1.485 63.750 62.300 -0.058 0.000 1.101 369 V CB -1.045 30.770 31.823 -0.013 0.000 0.698 369 V HN 0.453 nan 8.190 nan 0.000 0.477 370 K N -0.627 119.679 120.400 -0.157 0.000 2.572 370 K HA 0.584 4.904 4.320 0.000 0.000 0.263 370 K C -1.098 175.311 176.600 -0.319 0.000 0.932 370 K CA -0.010 56.125 56.287 -0.253 0.000 0.838 370 K CB 2.021 34.386 32.500 -0.226 0.000 1.366 370 K HN 0.223 nan 8.250 nan 0.000 0.425 371 T N 3.321 117.608 114.554 -0.445 0.000 2.876 371 T HA 0.728 5.078 4.350 0.000 0.000 0.289 371 T C -1.018 173.316 174.700 -0.610 0.000 1.014 371 T CA -0.378 61.508 62.100 -0.355 0.000 0.986 371 T CB 0.433 69.181 68.868 -0.200 0.000 1.021 371 T HN 0.320 nan 8.240 nan 0.000 0.458 372 F N 0.000 119.921 119.950 -0.048 0.000 2.286 372 F HA 0.000 4.527 4.527 0.000 0.000 0.279 372 F CA 0.000 57.976 58.000 -0.040 0.000 1.383 372 F CB 0.000 38.976 39.000 -0.040 0.000 1.145 372 F HN 0.000 nan 8.300 nan 0.000 0.574