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 1o0s_1_A DATA FIRST_RESID 2 DATA SEQUENCE SVAHHEDVYS HNLPPMDEKE MALYKLYRPE RVTPKKRSAE LLKEPRLNKG DATA SEQUENCE MGFSLYERQY LGLHGLLPPA FMTQEQQAYR VITKLREQPN DLARYIQLDG DATA SEQUENCE LQDRNEKLFY RVVCDHVKEL MPIVYTPTVG LACQNFGYIY RKPKGLYITI DATA SEQUENCE NDNSVSKIYQ ILSNWHEEDV RAIVVTDGER ILGLGDLGAY GIGIPVGKLA DATA SEQUENCE LYVALGGVQP KWCLPVLLDV GTNNMDLLND PFYIGLRHKR VRGKDYDTLL DATA SEQUENCE DNFMKACTKK YGQKTLIQFE DFANPNAFRL LDKYQDKYTM FNDDIQGTAS DATA SEQUENCE VIVAGLLTCT RVTKKLVSQE KYLFFGAGAA STGIAEMIVH QMQNEGISKE DATA SEQUENCE EACNRIYLMD IDGLVTKNRK EMNPRHVQFA KDMPETTSIL EVIRAARPGA DATA SEQUENCE LIGASTVRGA FNEEVIRAMA EINERPIIFA LSNPTSKAEC TAEEAYTFTN DATA SEQUENCE GAALYASGSP FPNFELNGHT YKPGQGNNAY IFPGVALGTI LFQIRHVDND DATA SEQUENCE LFLLAAKKVA SCVTEDSLKV GRVYPQLKEI REISIQIAVE MAKYCYKNGT DATA SEQUENCE ANLYPQPEDL EKYVRAQVYN TEYEELINAT YDWPEQDMRH GFPVPVVRHD DATA SEQUENCE SM 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.623 174.600 0.039 0.000 1.055 2 S CA 0.000 58.214 58.200 0.023 0.000 1.107 2 S CB 0.000 63.201 63.200 0.001 0.000 0.593 3 V N 1.830 121.785 119.914 0.069 0.000 2.834 3 V HA 0.691 4.811 4.120 -0.000 0.000 0.301 3 V C 1.339 177.432 176.094 -0.001 0.000 1.066 3 V CA 0.118 62.440 62.300 0.037 0.000 1.052 3 V CB 1.162 33.014 31.823 0.050 0.000 1.021 3 V HN 1.360 nan 8.190 nan 0.000 0.480 4 A N 2.004 124.741 122.820 -0.138 0.000 2.406 4 A HA 0.217 4.537 4.320 -0.000 0.000 0.243 4 A C 1.136 178.553 177.584 -0.278 0.000 1.082 4 A CA 0.510 52.374 52.037 -0.287 0.000 0.786 4 A CB -0.235 18.363 19.000 -0.671 0.000 1.029 4 A HN 1.266 nan 8.150 nan 0.000 0.495 5 H N -0.015 118.994 119.070 -0.100 0.000 2.518 5 H HA -0.143 4.413 4.556 -0.000 0.000 0.289 5 H C 1.006 176.330 175.328 -0.006 0.000 1.051 5 H CA 2.244 58.308 56.048 0.027 0.000 1.280 5 H CB -0.586 29.236 29.762 0.099 0.000 1.380 5 H HN 0.912 nan 8.280 nan 0.000 0.566 6 H N -1.494 117.344 119.070 -0.386 0.000 2.529 6 H HA 0.404 4.960 4.556 -0.000 0.000 0.277 6 H C -0.266 175.002 175.328 -0.099 0.000 1.004 6 H CA -0.541 55.391 56.048 -0.194 0.000 1.167 6 H CB 0.089 29.673 29.762 -0.297 0.000 1.445 6 H HN 0.491 nan 8.280 nan 0.000 0.554 7 E N 0.186 120.232 120.200 -0.256 0.000 2.249 7 E HA 0.242 4.592 4.350 -0.000 0.000 0.263 7 E C -0.905 175.620 176.600 -0.124 0.000 0.950 7 E CA -1.126 55.199 56.400 -0.126 0.000 0.827 7 E CB 1.558 31.161 29.700 -0.163 0.000 1.220 7 E HN 0.182 nan 8.360 nan 0.000 0.411 8 D N 0.497 120.829 120.400 -0.114 0.000 2.332 8 D HA 0.250 4.890 4.640 -0.000 0.000 0.252 8 D C -0.659 175.503 176.300 -0.230 0.000 1.050 8 D CA -0.691 53.190 54.000 -0.198 0.000 0.970 8 D CB 1.534 42.243 40.800 -0.152 0.000 1.141 8 D HN 0.215 nan 8.370 nan 0.000 0.485 9 V N 1.029 120.704 119.914 -0.399 0.000 2.924 9 V HA 0.205 4.325 4.120 -0.000 0.000 0.305 9 V C -0.085 175.673 176.094 -0.559 0.000 1.073 9 V CA -0.613 61.411 62.300 -0.459 0.000 1.098 9 V CB -0.289 31.144 31.823 -0.649 0.000 1.000 9 V HN 0.710 nan 8.190 nan 0.000 0.484 10 Y N 1.118 121.425 120.300 0.011 0.000 2.980 10 Y HA -0.166 4.384 4.550 -0.000 0.000 0.214 10 Y C 0.434 176.272 175.900 -0.102 0.000 1.147 10 Y CA 0.758 58.824 58.100 -0.057 0.000 0.827 10 Y CB -2.857 35.578 38.460 -0.042 0.000 1.149 10 Y HN 0.640 nan 8.280 nan 0.000 0.449 11 S N -0.080 115.623 115.700 0.006 0.000 2.835 11 S HA 0.155 4.625 4.470 -0.000 0.000 0.248 11 S C -0.161 174.456 174.600 0.029 0.000 1.070 11 S CA -0.300 57.923 58.200 0.038 0.000 1.090 11 S CB -0.228 63.004 63.200 0.054 0.000 0.978 11 S HN 0.830 nan 8.310 nan 0.000 0.510 12 H N -0.118 119.009 119.070 0.096 0.000 2.482 12 H HA 0.662 5.218 4.556 -0.000 0.000 0.344 12 H C 0.227 175.582 175.328 0.045 0.000 1.151 12 H CA -0.685 55.399 56.048 0.061 0.000 1.300 12 H CB 0.039 29.836 29.762 0.060 0.000 1.494 12 H HN 0.014 nan 8.280 nan 0.000 0.542 13 N N 0.199 119.048 118.700 0.249 0.000 2.686 13 N HA -0.183 4.557 4.740 -0.000 0.000 0.261 13 N C -1.402 174.153 175.510 0.075 0.000 1.001 13 N CA 0.565 53.708 53.050 0.155 0.000 0.764 13 N CB -0.994 37.609 38.487 0.193 0.000 0.898 13 N HN 0.647 nan 8.380 nan 0.000 0.544 14 L N 0.696 121.928 121.223 0.014 0.000 2.352 14 L HA 0.647 4.987 4.340 -0.000 0.000 0.269 14 L C -1.216 175.610 176.870 -0.073 0.000 1.034 14 L CA -1.768 53.030 54.840 -0.071 0.000 0.806 14 L CB 0.826 42.800 42.059 -0.142 0.000 1.244 14 L HN 0.207 nan 8.230 nan 0.000 0.447 15 P HA 0.236 nan 4.420 nan 0.000 0.271 15 P C -2.627 174.626 177.300 -0.079 0.000 1.218 15 P CA -1.197 61.856 63.100 -0.078 0.000 0.780 15 P CB -0.199 31.451 31.700 -0.084 0.000 0.901 16 P HA 0.128 nan 4.420 nan 0.000 0.261 16 P C -0.287 176.984 177.300 -0.049 0.000 1.173 16 P CA 0.941 64.017 63.100 -0.040 0.000 0.760 16 P CB 0.227 31.912 31.700 -0.025 0.000 0.783 17 M N 1.607 121.181 119.600 -0.044 0.000 2.446 17 M HA 0.236 4.716 4.480 -0.000 0.000 0.294 17 M C -0.123 176.165 176.300 -0.020 0.000 1.158 17 M CA -0.887 54.389 55.300 -0.039 0.000 0.899 17 M CB 2.611 35.174 32.600 -0.061 0.000 1.687 17 M HN 0.307 nan 8.290 nan 0.000 0.455 18 D N 1.393 121.786 120.400 -0.013 0.000 2.363 18 D HA -0.010 4.630 4.640 -0.000 0.000 0.240 18 D C 0.552 176.849 176.300 -0.004 0.000 1.236 18 D CA 0.463 54.459 54.000 -0.007 0.000 0.927 18 D CB 1.126 41.923 40.800 -0.005 0.000 1.150 18 D HN 0.810 nan 8.370 nan 0.000 0.458 19 E N 0.679 120.876 120.200 -0.004 0.000 2.150 19 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 19 E C 1.473 178.070 176.600 -0.006 0.000 0.985 19 E CA 0.981 57.379 56.400 -0.004 0.000 0.814 19 E CB 0.183 29.879 29.700 -0.006 0.000 0.752 19 E HN 0.182 nan 8.360 nan 0.000 0.466 20 K N 1.009 121.404 120.400 -0.008 0.000 2.044 20 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 20 K C 1.778 178.371 176.600 -0.013 0.000 1.049 20 K CA 1.575 57.853 56.287 -0.015 0.000 0.945 20 K CB 0.003 32.495 32.500 -0.013 0.000 0.724 20 K HN 0.096 nan 8.250 nan 0.000 0.440 21 E N -0.110 120.090 120.200 -0.001 0.000 2.058 21 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 21 E C 1.910 178.533 176.600 0.038 0.000 0.997 21 E CA 1.719 58.126 56.400 0.012 0.000 0.801 21 E CB -0.230 29.474 29.700 0.007 0.000 0.746 21 E HN 0.234 nan 8.360 nan 0.000 0.450 22 M N 1.087 120.710 119.600 0.038 0.000 2.106 22 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 22 M C 2.066 178.427 176.300 0.102 0.000 1.068 22 M CA 1.962 57.316 55.300 0.090 0.000 1.100 22 M CB -0.395 32.237 32.600 0.053 0.000 1.351 22 M HN 0.087 nan 8.290 nan 0.000 0.404 23 A N -0.535 122.297 122.820 0.020 0.000 1.902 23 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 23 A C 2.128 179.654 177.584 -0.096 0.000 1.181 23 A CA 1.693 53.712 52.037 -0.031 0.000 0.623 23 A CB -1.096 17.876 19.000 -0.046 0.000 0.818 23 A HN 0.537 nan 8.150 nan 0.000 0.443 24 L N -1.508 119.641 121.223 -0.122 0.000 2.083 24 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 24 L C 2.316 179.021 176.870 -0.275 0.000 1.083 24 L CA 2.087 56.740 54.840 -0.311 0.000 0.752 24 L CB -0.832 41.087 42.059 -0.234 0.000 0.899 24 L HN 0.597 nan 8.230 nan 0.000 0.433 25 Y N 0.076 120.292 120.300 -0.140 0.000 2.163 25 Y HA -0.213 4.337 4.550 -0.000 0.000 0.288 25 Y C 2.270 178.162 175.900 -0.013 0.000 1.136 25 Y CA 1.683 59.762 58.100 -0.035 0.000 1.147 25 Y CB -0.226 38.231 38.460 -0.005 0.000 0.987 25 Y HN 0.012 nan 8.280 nan 0.000 0.509 26 K N 0.288 120.524 120.400 -0.273 0.000 2.147 26 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 26 K C 2.095 178.571 176.600 -0.207 0.000 1.049 26 K CA 1.237 57.326 56.287 -0.330 0.000 0.936 26 K CB -0.892 31.533 32.500 -0.126 0.000 0.722 26 K HN 0.414 nan 8.250 nan 0.000 0.446 27 L N 0.046 121.162 121.223 -0.178 0.000 2.027 27 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 27 L C 2.133 179.040 176.870 0.062 0.000 1.074 27 L CA 1.624 56.400 54.840 -0.106 0.000 0.745 27 L CB -0.554 41.376 42.059 -0.214 0.000 0.898 27 L HN 0.175 nan 8.230 nan 0.000 0.433 28 Y N 0.229 120.526 120.300 -0.005 0.000 2.286 28 Y HA -0.048 4.502 4.550 -0.000 0.000 0.293 28 Y C 1.262 177.151 175.900 -0.018 0.000 1.124 28 Y CA -0.159 57.970 58.100 0.048 0.000 1.178 28 Y CB -0.305 38.220 38.460 0.108 0.000 1.010 28 Y HN 0.216 nan 8.280 nan 0.000 0.536 29 R N 3.123 123.634 120.500 0.018 0.000 2.678 29 R HA 0.015 4.355 4.340 -0.000 0.000 0.264 29 R C -2.747 173.537 176.300 -0.026 0.000 0.995 29 R CA -1.158 54.894 56.100 -0.081 0.000 1.098 29 R CB -0.747 29.317 30.300 -0.393 0.000 0.949 29 R HN -0.041 nan 8.270 nan 0.000 0.422 30 P HA 0.078 nan 4.420 nan 0.000 0.276 30 P C -0.948 176.329 177.300 -0.037 0.000 1.230 30 P CA 0.070 63.158 63.100 -0.021 0.000 0.776 30 P CB 0.959 32.631 31.700 -0.046 0.000 0.888 31 E N 2.082 122.284 120.200 0.003 0.000 2.242 31 E HA 0.255 4.605 4.350 -0.000 0.000 0.275 31 E C 0.282 176.853 176.600 -0.049 0.000 1.002 31 E CA -0.938 55.488 56.400 0.042 0.000 0.841 31 E CB 1.625 31.398 29.700 0.122 0.000 1.109 31 E HN 0.409 nan 8.360 nan 0.000 0.394 32 R N 1.029 121.451 120.500 -0.130 0.000 2.570 32 R HA 0.160 4.500 4.340 -0.000 0.000 0.277 32 R C -0.805 175.501 176.300 0.010 0.000 1.039 32 R CA -0.027 55.992 56.100 -0.135 0.000 1.065 32 R CB 0.381 30.584 30.300 -0.162 0.000 0.964 32 R HN 0.181 nan 8.270 nan 0.000 0.428 33 V N 4.258 124.173 119.914 0.002 0.000 2.376 33 V HA 0.200 4.320 4.120 -0.000 0.000 0.287 33 V C -0.234 175.879 176.094 0.032 0.000 1.015 33 V CA -0.739 61.580 62.300 0.032 0.000 0.834 33 V CB 1.710 33.552 31.823 0.032 0.000 1.001 33 V HN 0.829 nan 8.190 nan 0.000 0.428 34 T N 7.717 122.295 114.554 0.040 0.000 2.780 34 T HA 0.400 4.750 4.350 -0.000 0.000 0.294 34 T C -1.796 172.923 174.700 0.031 0.000 0.949 34 T CA -0.534 61.586 62.100 0.034 0.000 1.074 34 T CB 1.245 70.132 68.868 0.031 0.000 0.910 34 T HN 0.604 nan 8.240 nan 0.000 0.501 35 P HA 0.343 nan 4.420 nan 0.000 0.274 35 P C 0.108 177.419 177.300 0.017 0.000 1.237 35 P CA -0.572 62.544 63.100 0.026 0.000 0.793 35 P CB 1.530 33.249 31.700 0.033 0.000 0.977 36 K N 0.065 120.472 120.400 0.013 0.000 2.308 36 K HA 0.093 4.413 4.320 -0.000 0.000 0.197 36 K C 0.754 177.354 176.600 0.001 0.000 1.049 36 K CA 0.360 56.651 56.287 0.008 0.000 0.991 36 K CB 0.148 32.653 32.500 0.008 0.000 0.836 36 K HN 0.382 nan 8.250 nan 0.000 0.500 37 K N 1.452 121.851 120.400 -0.001 0.000 2.258 37 K HA 0.176 4.496 4.320 -0.000 0.000 0.264 37 K C 0.038 176.630 176.600 -0.012 0.000 1.007 37 K CA 0.285 56.567 56.287 -0.009 0.000 0.941 37 K CB 0.783 33.276 32.500 -0.012 0.000 0.966 37 K HN -0.005 nan 8.250 nan 0.000 0.480 38 R N 0.393 120.881 120.500 -0.020 0.000 2.869 38 R HA 0.342 4.682 4.340 -0.000 0.000 0.263 38 R C -0.075 176.202 176.300 -0.039 0.000 1.066 38 R CA -0.742 55.339 56.100 -0.031 0.000 0.960 38 R CB 1.744 32.031 30.300 -0.023 0.000 1.221 38 R HN 0.805 nan 8.270 nan 0.000 0.474 39 S N 0.279 115.948 115.700 -0.053 0.000 3.687 39 S HA -0.364 4.106 4.470 -0.000 0.000 0.619 39 S C 1.408 175.982 174.600 -0.044 0.000 2.483 39 S CA 1.106 59.275 58.200 -0.051 0.000 4.088 39 S CB -1.362 61.817 63.200 -0.036 0.000 0.326 39 S HN 0.885 nan 8.310 nan 0.000 0.982 40 A N 0.913 123.712 122.820 -0.035 0.000 1.948 40 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 40 A C 1.949 179.517 177.584 -0.027 0.000 1.177 40 A CA 2.331 54.350 52.037 -0.030 0.000 0.636 40 A CB -0.855 18.127 19.000 -0.031 0.000 0.815 40 A HN 0.736 nan 8.150 nan 0.000 0.449 41 E N -0.599 119.584 120.200 -0.029 0.000 2.118 41 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 41 E C 2.027 178.612 176.600 -0.024 0.000 0.992 41 E CA 1.195 57.576 56.400 -0.031 0.000 0.804 41 E CB -0.291 29.391 29.700 -0.030 0.000 0.741 41 E HN 0.712 nan 8.360 nan 0.000 0.458 42 L N 0.879 122.092 121.223 -0.016 0.000 2.044 42 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 42 L C 2.265 179.158 176.870 0.038 0.000 1.075 42 L CA 0.866 55.710 54.840 0.006 0.000 0.747 42 L CB -0.058 41.998 42.059 -0.007 0.000 0.903 42 L HN 0.128 nan 8.230 nan 0.000 0.435 43 L N -0.106 121.136 121.223 0.033 0.000 2.187 43 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 43 L C 2.176 179.064 176.870 0.030 0.000 1.100 43 L CA 1.280 56.161 54.840 0.068 0.000 0.765 43 L CB -0.441 41.644 42.059 0.043 0.000 0.904 43 L HN 0.257 nan 8.230 nan 0.000 0.437 44 K N -0.553 119.845 120.400 -0.004 0.000 2.444 44 K HA 0.030 4.350 4.320 -0.000 0.000 0.193 44 K C 0.140 176.711 176.600 -0.049 0.000 1.024 44 K CA 0.111 56.380 56.287 -0.031 0.000 1.077 44 K CB 0.295 32.768 32.500 -0.045 0.000 0.833 44 K HN 0.074 nan 8.250 nan 0.000 0.517 45 E N 0.946 121.127 120.200 -0.032 0.000 2.046 45 E HA 0.087 4.437 4.350 -0.000 0.000 0.279 45 E C -2.118 174.469 176.600 -0.022 0.000 0.989 45 E CA -2.345 54.026 56.400 -0.050 0.000 0.798 45 E CB 1.404 31.083 29.700 -0.035 0.000 1.086 45 E HN -0.070 nan 8.360 nan 0.000 0.399 46 P HA -0.110 nan 4.420 nan 0.000 0.217 46 P C 1.044 178.361 177.300 0.027 0.000 1.148 46 P CA 1.095 64.183 63.100 -0.019 0.000 0.828 46 P CB 0.335 32.001 31.700 -0.057 0.000 0.783 47 R N -1.173 119.341 120.500 0.024 0.000 2.276 47 R HA 0.097 4.437 4.340 -0.000 0.000 0.203 47 R C 1.817 178.161 176.300 0.073 0.000 1.017 47 R CA 0.776 56.915 56.100 0.065 0.000 1.010 47 R CB -0.362 29.966 30.300 0.046 0.000 0.900 47 R HN 0.315 nan 8.270 nan 0.000 0.469 48 L N -0.893 120.367 121.223 0.060 0.000 2.467 48 L HA 0.128 4.468 4.340 -0.000 0.000 0.213 48 L C 0.652 177.574 176.870 0.088 0.000 1.053 48 L CA -0.275 54.617 54.840 0.087 0.000 0.847 48 L CB -0.179 41.941 42.059 0.101 0.000 1.075 48 L HN -0.023 nan 8.230 nan 0.000 0.479 49 N N 1.545 120.291 118.700 0.076 0.000 2.440 49 N HA -0.047 4.693 4.740 -0.000 0.000 0.265 49 N C 0.487 175.866 175.510 -0.218 0.000 1.239 49 N CA 0.639 53.718 53.050 0.048 0.000 0.909 49 N CB 0.586 39.116 38.487 0.072 0.000 1.066 49 N HN 0.083 nan 8.380 nan 0.000 0.474 50 K N 2.323 122.277 120.400 -0.744 0.000 2.355 50 K HA 0.208 4.528 4.320 -0.000 0.000 0.198 50 K C 1.109 177.385 176.600 -0.539 0.000 1.039 50 K CA 0.194 55.867 56.287 -1.024 0.000 1.075 50 K CB 0.227 31.545 32.500 -1.970 0.000 0.870 50 K HN 0.779 nan 8.250 nan 0.000 0.540 51 G N 2.243 110.898 108.800 -0.242 0.000 2.547 51 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.271 51 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.271 51 G C 0.616 175.527 174.900 0.020 0.000 1.209 51 G CA 0.274 45.365 45.100 -0.015 0.000 0.959 51 G HN 0.190 nan 8.290 nan 0.000 0.563 52 M N 2.046 121.646 119.600 -0.000 0.000 2.686 52 M HA 0.130 4.610 4.480 -0.000 0.000 0.246 52 M C 2.365 178.676 176.300 0.019 0.000 1.096 52 M CA 1.189 56.479 55.300 -0.016 0.000 1.076 52 M CB -0.211 32.352 32.600 -0.062 0.000 1.504 52 M HN 0.638 nan 8.290 nan 0.000 0.524 53 G N -0.235 108.534 108.800 -0.052 0.000 2.744 53 G HA2 0.009 3.969 3.960 -0.000 0.000 0.211 53 G HA3 0.009 3.969 3.960 -0.000 0.000 0.211 53 G C 0.236 175.067 174.900 -0.115 0.000 1.143 53 G CA -0.340 44.722 45.100 -0.063 0.000 0.788 53 G HN 0.298 nan 8.290 nan 0.000 0.534 54 F N 2.362 122.288 119.950 -0.039 0.000 2.456 54 F HA 0.276 4.803 4.527 -0.000 0.000 0.358 54 F C 1.450 177.347 175.800 0.161 0.000 1.095 54 F CA -0.801 57.204 58.000 0.008 0.000 1.216 54 F CB 1.085 40.088 39.000 0.005 0.000 1.125 54 F HN 0.051 nan 8.300 nan 0.000 0.549 55 S N 3.972 119.884 115.700 0.353 0.000 2.608 55 S HA 0.084 4.554 4.470 -0.000 0.000 0.261 55 S C 0.910 175.631 174.600 0.202 0.000 1.314 55 S CA -0.904 57.428 58.200 0.220 0.000 0.992 55 S CB 1.099 64.334 63.200 0.058 0.000 0.935 55 S HN 0.711 nan 8.310 nan 0.000 0.564 56 L N 0.748 121.916 121.223 -0.092 0.000 2.046 56 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 56 L C 2.042 178.863 176.870 -0.083 0.000 1.077 56 L CA 1.894 56.664 54.840 -0.115 0.000 0.747 56 L CB -1.180 40.571 42.059 -0.512 0.000 0.896 56 L HN 0.801 nan 8.230 nan 0.000 0.432 57 Y N 0.358 120.635 120.300 -0.039 0.000 2.200 57 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 57 Y C 2.628 178.600 175.900 0.121 0.000 1.137 57 Y CA 1.291 59.385 58.100 -0.009 0.000 1.163 57 Y CB -0.914 37.599 38.460 0.088 0.000 0.988 57 Y HN 0.358 nan 8.280 nan 0.000 0.518 58 E N -0.068 120.311 120.200 0.299 0.000 2.077 58 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 58 E C 2.275 178.900 176.600 0.040 0.000 0.989 58 E CA 1.073 57.605 56.400 0.221 0.000 0.800 58 E CB -0.136 29.717 29.700 0.255 0.000 0.746 58 E HN 0.446 nan 8.360 nan 0.000 0.452 59 R N 0.470 120.980 120.500 0.016 0.000 2.092 59 R HA -0.141 4.199 4.340 -0.000 0.000 0.231 59 R C 2.380 178.675 176.300 -0.008 0.000 1.119 59 R CA 1.255 57.327 56.100 -0.046 0.000 0.970 59 R CB -0.123 30.242 30.300 0.108 0.000 0.864 59 R HN 0.253 nan 8.270 nan 0.000 0.440 60 Q N -0.658 119.120 119.800 -0.037 0.000 2.083 60 Q HA -0.123 4.217 4.340 -0.000 0.000 0.198 60 Q C 1.702 177.664 176.000 -0.063 0.000 0.969 60 Q CA 1.394 57.143 55.803 -0.090 0.000 0.838 60 Q CB -0.101 28.508 28.738 -0.216 0.000 0.900 60 Q HN 0.436 nan 8.270 nan 0.000 0.436 61 Y N 0.596 120.885 120.300 -0.019 0.000 2.145 61 Y HA -0.167 4.383 4.550 -0.000 0.000 0.286 61 Y C 1.849 177.721 175.900 -0.047 0.000 1.145 61 Y CA 0.735 58.819 58.100 -0.028 0.000 1.148 61 Y CB 0.147 38.598 38.460 -0.016 0.000 0.981 61 Y HN 0.049 nan 8.280 nan 0.000 0.507 62 L N -0.823 120.454 121.223 0.090 0.000 2.591 62 L HA 0.172 4.512 4.340 -0.000 0.000 0.228 62 L C 1.382 178.222 176.870 -0.049 0.000 1.133 62 L CA 0.559 55.388 54.840 -0.019 0.000 0.880 62 L CB -0.482 41.497 42.059 -0.133 0.000 1.033 62 L HN 0.437 nan 8.230 nan 0.000 0.450 63 G N 0.455 109.241 108.800 -0.023 0.000 2.176 63 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 63 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 63 G C 0.593 175.468 174.900 -0.043 0.000 1.024 63 G CA 0.393 45.480 45.100 -0.021 0.000 0.755 63 G HN 0.392 nan 8.290 nan 0.000 0.507 64 L N -0.924 120.258 121.223 -0.069 0.000 2.556 64 L HA 0.277 4.617 4.340 -0.000 0.000 0.226 64 L C 1.365 178.234 176.870 -0.001 0.000 1.089 64 L CA -0.516 54.270 54.840 -0.090 0.000 0.864 64 L CB -0.038 41.873 42.059 -0.247 0.000 1.067 64 L HN 0.280 nan 8.230 nan 0.000 0.477 65 H N 1.245 120.277 119.070 -0.064 0.000 3.070 65 H HA 0.273 4.829 4.556 -0.000 0.000 0.313 65 H C 1.131 176.441 175.328 -0.029 0.000 0.997 65 H CA 0.833 56.864 56.048 -0.029 0.000 1.438 65 H CB 0.637 30.394 29.762 -0.009 0.000 1.455 65 H HN 0.295 nan 8.280 nan 0.000 0.575 66 G N 3.423 111.966 108.800 -0.429 0.000 2.258 66 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.233 66 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.233 66 G C 1.086 175.886 174.900 -0.166 0.000 1.006 66 G CA 0.325 45.223 45.100 -0.337 0.000 0.620 66 G HN 0.607 nan 8.290 nan 0.000 0.511 67 L N 0.338 121.495 121.223 -0.110 0.000 2.509 67 L HA 0.467 4.807 4.340 -0.000 0.000 0.222 67 L C 1.017 177.851 176.870 -0.061 0.000 1.123 67 L CA 0.367 55.164 54.840 -0.072 0.000 0.856 67 L CB 0.040 42.068 42.059 -0.052 0.000 0.985 67 L HN 0.210 nan 8.230 nan 0.000 0.456 68 L N -1.172 120.009 121.223 -0.070 0.000 2.323 68 L HA 0.491 4.831 4.340 -0.000 0.000 0.265 68 L C -2.235 174.569 176.870 -0.110 0.000 1.012 68 L CA -2.018 52.783 54.840 -0.064 0.000 0.820 68 L CB 1.258 43.299 42.059 -0.030 0.000 1.334 68 L HN -0.266 nan 8.230 nan 0.000 0.427 69 P HA 0.095 nan 4.420 nan 0.000 0.269 69 P C -2.271 174.899 177.300 -0.217 0.000 1.215 69 P CA -0.886 62.135 63.100 -0.132 0.000 0.780 69 P CB 0.002 31.639 31.700 -0.105 0.000 0.898 70 P HA 0.106 nan 4.420 nan 0.000 0.269 70 P C -0.710 176.402 177.300 -0.314 0.000 1.601 70 P CA 0.390 63.365 63.100 -0.207 0.000 0.831 70 P CB -0.245 31.436 31.700 -0.032 0.000 1.688 71 A N 0.330 122.870 122.820 -0.467 0.000 2.350 71 A HA 0.729 5.049 4.320 -0.000 0.000 0.324 71 A C -1.018 176.196 177.584 -0.617 0.000 1.118 71 A CA -0.551 51.288 52.037 -0.331 0.000 0.783 71 A CB 1.000 19.921 19.000 -0.131 0.000 1.236 71 A HN 0.040 nan 8.150 nan 0.000 0.457 72 F N 1.112 121.077 119.950 0.025 0.000 2.482 72 F HA 0.715 5.242 4.527 -0.000 0.000 0.331 72 F C 0.303 176.120 175.800 0.028 0.000 1.115 72 F CA -0.315 57.702 58.000 0.028 0.000 0.955 72 F CB 2.020 41.025 39.000 0.010 0.000 1.136 72 F HN 0.432 nan 8.300 nan 0.000 0.452 73 M N 1.378 121.079 119.600 0.168 0.000 2.727 73 M HA 0.568 5.048 4.480 -0.000 0.000 0.300 73 M C -0.387 175.997 176.300 0.141 0.000 1.246 73 M CA -0.919 54.457 55.300 0.126 0.000 0.835 73 M CB 2.774 35.428 32.600 0.089 0.000 1.755 73 M HN 0.644 nan 8.290 nan 0.000 0.473 74 T N -2.555 112.069 114.554 0.116 0.000 2.927 74 T HA 0.252 4.602 4.350 -0.000 0.000 0.281 74 T C 0.564 175.338 174.700 0.123 0.000 0.998 74 T CA -0.762 61.409 62.100 0.119 0.000 1.019 74 T CB 1.782 70.690 68.868 0.067 0.000 1.061 74 T HN 0.800 nan 8.240 nan 0.000 0.518 75 Q N -0.084 119.771 119.800 0.091 0.000 2.170 75 Q HA -0.183 4.157 4.340 -0.000 0.000 0.203 75 Q C 2.054 178.040 176.000 -0.023 0.000 0.976 75 Q CA 1.685 57.462 55.803 -0.045 0.000 0.858 75 Q CB -0.056 28.410 28.738 -0.453 0.000 0.907 75 Q HN 0.918 nan 8.270 nan 0.000 0.433 76 E N 0.129 120.326 120.200 -0.005 0.000 2.077 76 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 76 E C 2.013 178.659 176.600 0.076 0.000 0.989 76 E CA 1.303 57.717 56.400 0.024 0.000 0.800 76 E CB -0.049 29.659 29.700 0.013 0.000 0.746 76 E HN 0.430 nan 8.360 nan 0.000 0.452 77 Q N 0.176 120.015 119.800 0.065 0.000 2.170 77 Q HA -0.239 4.101 4.340 -0.000 0.000 0.203 77 Q C 2.080 178.156 176.000 0.128 0.000 0.976 77 Q CA 1.487 57.337 55.803 0.079 0.000 0.858 77 Q CB 0.031 28.796 28.738 0.046 0.000 0.907 77 Q HN 0.371 nan 8.270 nan 0.000 0.433 78 Q N -0.319 119.544 119.800 0.105 0.000 2.079 78 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 78 Q C 2.086 178.144 176.000 0.097 0.000 0.974 78 Q CA 1.286 57.150 55.803 0.100 0.000 0.840 78 Q CB -0.093 28.709 28.738 0.107 0.000 0.898 78 Q HN 0.525 nan 8.270 nan 0.000 0.430 79 A N -0.087 122.788 122.820 0.091 0.000 1.930 79 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 79 A C 1.821 179.471 177.584 0.110 0.000 1.175 79 A CA 1.117 53.206 52.037 0.085 0.000 0.627 79 A CB -0.752 18.293 19.000 0.076 0.000 0.815 79 A HN 0.502 nan 8.150 nan 0.000 0.443 80 Y N 0.569 120.890 120.300 0.035 0.000 2.145 80 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 80 Y C 2.549 178.453 175.900 0.007 0.000 1.145 80 Y CA 2.178 60.294 58.100 0.027 0.000 1.148 80 Y CB -0.240 38.234 38.460 0.024 0.000 0.981 80 Y HN 0.260 nan 8.280 nan 0.000 0.507 81 R N -0.848 119.757 120.500 0.174 0.000 2.091 81 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 81 R C 2.159 178.447 176.300 -0.020 0.000 1.136 81 R CA 1.691 57.840 56.100 0.082 0.000 0.959 81 R CB -0.684 29.673 30.300 0.095 0.000 0.856 81 R HN 0.262 nan 8.270 nan 0.000 0.437 82 V N 1.123 121.027 119.914 -0.016 0.000 2.307 82 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 82 V C 2.243 178.271 176.094 -0.110 0.000 1.045 82 V CA 1.333 63.608 62.300 -0.043 0.000 1.024 82 V CB -0.415 31.400 31.823 -0.014 0.000 0.651 82 V HN 0.302 nan 8.190 nan 0.000 0.449 83 I N 0.391 120.859 120.570 -0.170 0.000 2.286 83 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 83 I C 2.435 178.380 176.117 -0.286 0.000 1.115 83 I CA 1.956 63.083 61.300 -0.289 0.000 1.392 83 I CB -0.991 36.742 38.000 -0.446 0.000 1.065 83 I HN 0.358 nan 8.210 nan 0.000 0.418 84 T N 0.670 115.030 114.554 -0.323 0.000 2.652 84 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 84 T C 1.944 176.552 174.700 -0.153 0.000 1.039 84 T CA 1.894 63.828 62.100 -0.278 0.000 1.153 84 T CB -0.197 68.500 68.868 -0.285 0.000 0.863 84 T HN 0.291 nan 8.240 nan 0.000 0.428 85 K N 0.140 120.474 120.400 -0.112 0.000 2.147 85 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 85 K C 2.141 178.699 176.600 -0.070 0.000 1.049 85 K CA 0.683 56.928 56.287 -0.070 0.000 0.936 85 K CB -0.199 32.273 32.500 -0.047 0.000 0.722 85 K HN 0.092 nan 8.250 nan 0.000 0.446 86 L N 1.518 122.685 121.223 -0.093 0.000 2.017 86 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 86 L C 2.119 178.943 176.870 -0.077 0.000 1.073 86 L CA 1.739 56.529 54.840 -0.083 0.000 0.745 86 L CB -0.503 41.486 42.059 -0.116 0.000 0.894 86 L HN 0.124 nan 8.230 nan 0.000 0.432 87 R N -0.708 119.730 120.500 -0.103 0.000 2.189 87 R HA -0.093 4.247 4.340 -0.000 0.000 0.223 87 R C 1.778 178.044 176.300 -0.056 0.000 1.092 87 R CA 0.878 56.928 56.100 -0.084 0.000 0.989 87 R CB -0.123 30.112 30.300 -0.108 0.000 0.876 87 R HN 0.500 nan 8.270 nan 0.000 0.457 88 E N 0.332 120.499 120.200 -0.054 0.000 2.481 88 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 88 E C 0.075 176.661 176.600 -0.023 0.000 1.047 88 E CA 0.086 56.465 56.400 -0.035 0.000 0.867 88 E CB 0.253 29.933 29.700 -0.034 0.000 0.858 88 E HN 0.212 nan 8.360 nan 0.000 0.513 89 Q N 0.670 120.456 119.800 -0.023 0.000 2.395 89 Q HA -0.001 4.339 4.340 -0.000 0.000 0.271 89 Q C -1.619 174.381 176.000 0.000 0.000 1.026 89 Q CA -0.853 54.945 55.803 -0.008 0.000 0.900 89 Q CB 0.261 28.997 28.738 -0.002 0.000 1.266 89 Q HN 0.028 nan 8.270 nan 0.000 0.430 90 P HA -0.144 nan 4.420 nan 0.000 0.218 90 P C -0.512 176.798 177.300 0.017 0.000 1.149 90 P CA 1.313 64.421 63.100 0.013 0.000 0.817 90 P CB 0.431 32.143 31.700 0.019 0.000 0.785 91 N N -4.085 114.632 118.700 0.027 0.000 3.179 91 N HA 0.121 4.861 4.740 -0.000 0.000 0.250 91 N C -0.387 175.149 175.510 0.043 0.000 1.507 91 N CA -0.658 52.409 53.050 0.029 0.000 0.883 91 N CB -0.294 38.211 38.487 0.031 0.000 1.435 91 N HN -0.428 nan 8.380 nan 0.000 0.532 92 D N -0.461 119.962 120.400 0.038 0.000 2.178 92 D HA 0.006 4.646 4.640 -0.000 0.000 0.202 92 D C 1.514 177.881 176.300 0.113 0.000 0.974 92 D CA 0.885 54.919 54.000 0.056 0.000 0.841 92 D CB -0.125 40.691 40.800 0.026 0.000 0.953 92 D HN 0.356 nan 8.370 nan 0.000 0.478 93 L N 0.810 122.104 121.223 0.117 0.000 2.083 93 L HA -0.062 4.278 4.340 -0.000 0.000 0.209 93 L C 2.333 179.409 176.870 0.343 0.000 1.083 93 L CA 1.189 56.175 54.840 0.244 0.000 0.752 93 L CB -0.942 41.242 42.059 0.208 0.000 0.899 93 L HN -0.041 nan 8.230 nan 0.000 0.433 94 A N -1.014 121.929 122.820 0.206 0.000 1.969 94 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 94 A C 2.470 180.107 177.584 0.089 0.000 1.169 94 A CA 1.216 53.324 52.037 0.117 0.000 0.635 94 A CB -0.394 18.646 19.000 0.066 0.000 0.810 94 A HN 0.331 nan 8.150 nan 0.000 0.445 95 R N -2.216 118.345 120.500 0.100 0.000 2.092 95 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 95 R C 2.097 178.457 176.300 0.100 0.000 1.119 95 R CA 1.517 57.659 56.100 0.070 0.000 0.970 95 R CB -0.436 29.896 30.300 0.054 0.000 0.864 95 R HN 0.719 nan 8.270 nan 0.000 0.440 96 Y N 1.315 121.652 120.300 0.061 0.000 2.181 96 Y HA -0.213 4.336 4.550 -0.000 0.000 0.288 96 Y C 1.959 177.892 175.900 0.055 0.000 1.146 96 Y CA 1.354 59.502 58.100 0.080 0.000 1.164 96 Y CB -0.037 38.492 38.460 0.115 0.000 0.982 96 Y HN -0.091 nan 8.280 nan 0.000 0.515 97 I N 0.853 121.475 120.570 0.087 0.000 2.226 97 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 97 I C 2.465 178.501 176.117 -0.134 0.000 1.100 97 I CA 1.699 62.946 61.300 -0.088 0.000 1.374 97 I CB -1.391 36.533 38.000 -0.127 0.000 1.057 97 I HN 0.457 nan 8.210 nan 0.000 0.413 98 Q N 0.229 119.986 119.800 -0.072 0.000 2.119 98 Q HA -0.202 4.138 4.340 -0.000 0.000 0.201 98 Q C 2.240 178.207 176.000 -0.055 0.000 0.972 98 Q CA 1.252 57.020 55.803 -0.058 0.000 0.847 98 Q CB 0.125 28.844 28.738 -0.031 0.000 0.903 98 Q HN 0.270 nan 8.270 nan 0.000 0.433 99 L N 1.010 122.201 121.223 -0.054 0.000 2.109 99 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 99 L C 1.791 178.648 176.870 -0.021 0.000 1.086 99 L CA 1.871 56.741 54.840 0.050 0.000 0.760 99 L CB -0.694 41.407 42.059 0.070 0.000 0.910 99 L HN 0.266 nan 8.230 nan 0.000 0.437 100 D N -1.298 118.937 120.400 -0.274 0.000 2.144 100 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 100 D C 2.198 178.335 176.300 -0.272 0.000 0.978 100 D CA 1.207 54.988 54.000 -0.365 0.000 0.833 100 D CB -0.057 40.453 40.800 -0.483 0.000 0.961 100 D HN 0.279 nan 8.370 nan 0.000 0.470 101 G N 0.205 108.892 108.800 -0.189 0.000 2.408 101 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 101 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 101 G C 1.488 176.314 174.900 -0.124 0.000 1.150 101 G CA 0.738 45.755 45.100 -0.139 0.000 0.776 101 G HN 0.338 nan 8.290 nan 0.000 0.542 102 L N 0.552 121.727 121.223 -0.080 0.000 2.083 102 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 102 L C 2.695 179.487 176.870 -0.130 0.000 1.083 102 L CA 2.428 57.261 54.840 -0.012 0.000 0.752 102 L CB -0.654 41.491 42.059 0.143 0.000 0.899 102 L HN 0.410 nan 8.230 nan 0.000 0.433 103 Q N -1.019 118.495 119.800 -0.476 0.000 2.170 103 Q HA -0.210 4.130 4.340 -0.000 0.000 0.203 103 Q C 1.202 176.953 176.000 -0.414 0.000 0.976 103 Q CA 1.796 57.048 55.803 -0.918 0.000 0.858 103 Q CB -0.013 27.816 28.738 -1.515 0.000 0.907 103 Q HN 0.546 nan 8.270 nan 0.000 0.433 104 D N -0.620 119.611 120.400 -0.281 0.000 2.355 104 D HA -0.044 4.596 4.640 -0.000 0.000 0.218 104 D C 1.508 177.741 176.300 -0.113 0.000 1.004 104 D CA 0.459 54.356 54.000 -0.171 0.000 0.880 104 D CB 0.138 40.854 40.800 -0.140 0.000 0.911 104 D HN 0.281 nan 8.370 nan 0.000 0.528 105 R N -0.043 120.401 120.500 -0.095 0.000 2.084 105 R HA 0.066 4.406 4.340 -0.000 0.000 0.209 105 R C 0.098 176.391 176.300 -0.012 0.000 1.173 105 R CA 0.279 56.352 56.100 -0.045 0.000 1.053 105 R CB 0.526 30.808 30.300 -0.030 0.000 0.948 105 R HN -0.130 nan 8.270 nan 0.000 0.460 106 N N 1.069 119.775 118.700 0.010 0.000 2.607 106 N HA 0.004 4.744 4.740 -0.000 0.000 0.271 106 N C -0.519 175.058 175.510 0.111 0.000 1.142 106 N CA -0.050 53.039 53.050 0.066 0.000 0.810 106 N CB 1.751 40.292 38.487 0.091 0.000 1.306 106 N HN 0.278 nan 8.380 nan 0.000 0.536 107 E N 2.430 122.701 120.200 0.117 0.000 2.077 107 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 107 E C 0.910 177.741 176.600 0.386 0.000 0.989 107 E CA 1.150 57.665 56.400 0.193 0.000 0.800 107 E CB 0.355 30.173 29.700 0.197 0.000 0.746 107 E HN 0.378 nan 8.360 nan 0.000 0.452 108 K N 0.417 121.035 120.400 0.363 0.000 2.026 108 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 108 K C 2.264 178.984 176.600 0.201 0.000 1.048 108 K CA 0.753 57.242 56.287 0.336 0.000 0.929 108 K CB -0.544 32.126 32.500 0.283 0.000 0.713 108 K HN 0.206 nan 8.250 nan 0.000 0.439 109 L N 0.793 122.120 121.223 0.174 0.000 2.017 109 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 109 L C 2.245 179.173 176.870 0.096 0.000 1.073 109 L CA 1.392 56.284 54.840 0.087 0.000 0.745 109 L CB -0.767 41.368 42.059 0.126 0.000 0.894 109 L HN 0.064 nan 8.230 nan 0.000 0.432 110 F N -0.400 119.520 119.950 -0.050 0.000 2.043 110 F HA -0.354 4.173 4.527 -0.000 0.000 0.297 110 F C 2.185 177.863 175.800 -0.204 0.000 1.118 110 F CA 2.181 60.068 58.000 -0.188 0.000 1.202 110 F CB -0.787 37.993 39.000 -0.366 0.000 0.965 110 F HN 0.177 nan 8.300 nan 0.000 0.482 111 Y N -0.440 119.942 120.300 0.138 0.000 2.293 111 Y HA -0.189 4.361 4.550 -0.000 0.000 0.291 111 Y C 2.577 178.453 175.900 -0.040 0.000 1.137 111 Y CA 1.180 59.296 58.100 0.027 0.000 1.202 111 Y CB -0.539 38.096 38.460 0.292 0.000 0.990 111 Y HN 0.025 nan 8.280 nan 0.000 0.537 112 R N 0.785 121.338 120.500 0.090 0.000 2.082 112 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 112 R C 1.998 178.270 176.300 -0.047 0.000 1.136 112 R CA 2.130 58.223 56.100 -0.013 0.000 0.935 112 R CB -1.266 28.991 30.300 -0.072 0.000 0.842 112 R HN 0.165 nan 8.270 nan 0.000 0.430 113 V N 0.111 119.994 119.914 -0.052 0.000 2.287 113 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 113 V C 2.444 178.525 176.094 -0.021 0.000 1.053 113 V CA 1.985 64.285 62.300 -0.001 0.000 1.027 113 V CB -0.494 31.312 31.823 -0.029 0.000 0.646 113 V HN 0.263 nan 8.190 nan 0.000 0.447 114 V N -1.152 118.641 119.914 -0.202 0.000 2.343 114 V HA -0.299 3.820 4.120 -0.000 0.000 0.247 114 V C 2.491 178.538 176.094 -0.079 0.000 1.051 114 V CA 2.283 64.462 62.300 -0.202 0.000 1.036 114 V CB -0.755 30.817 31.823 -0.417 0.000 0.654 114 V HN 0.656 nan 8.190 nan 0.000 0.451 115 C N -0.124 119.144 119.300 -0.052 0.000 2.440 115 C HA -0.110 4.350 4.460 -0.000 0.000 0.278 115 C C 2.470 177.403 174.990 -0.097 0.000 1.295 115 C CA 0.734 59.731 59.018 -0.036 0.000 1.738 115 C CB -1.002 26.739 27.740 0.001 0.000 1.987 115 C HN 0.585 nan 8.230 nan 0.000 0.492 116 D N -0.664 119.632 120.400 -0.173 0.000 2.183 116 D HA -0.037 4.603 4.640 -0.000 0.000 0.203 116 D C 0.978 176.963 176.300 -0.525 0.000 0.969 116 D CA 1.128 54.904 54.000 -0.372 0.000 0.842 116 D CB -0.235 40.252 40.800 -0.522 0.000 0.957 116 D HN 0.605 nan 8.370 nan 0.000 0.484 117 H N -0.106 118.935 119.070 -0.048 0.000 2.551 117 H HA 0.180 4.736 4.556 -0.000 0.000 0.238 117 H C 1.334 176.637 175.328 -0.042 0.000 1.345 117 H CA -0.227 55.796 56.048 -0.042 0.000 1.105 117 H CB 0.589 30.320 29.762 -0.053 0.000 1.805 117 H HN -0.121 nan 8.280 nan 0.000 0.553 118 V N 1.440 121.366 119.914 0.020 0.000 2.287 118 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 118 V C 2.437 178.541 176.094 0.017 0.000 1.053 118 V CA 2.174 64.478 62.300 0.006 0.000 1.027 118 V CB -0.122 31.689 31.823 -0.021 0.000 0.646 118 V HN 0.383 nan 8.190 nan 0.000 0.447 119 K N -0.481 119.934 120.400 0.025 0.000 2.097 119 K HA -0.243 4.077 4.320 -0.000 0.000 0.206 119 K C 2.216 178.836 176.600 0.034 0.000 1.049 119 K CA 2.062 58.366 56.287 0.027 0.000 0.933 119 K CB -0.212 32.310 32.500 0.038 0.000 0.717 119 K HN 0.713 nan 8.250 nan 0.000 0.442 120 E N 0.051 120.279 120.200 0.047 0.000 2.230 120 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 120 E C 1.610 178.223 176.600 0.022 0.000 0.987 120 E CA 0.512 56.931 56.400 0.032 0.000 0.841 120 E CB 0.261 29.980 29.700 0.031 0.000 0.783 120 E HN 0.326 nan 8.360 nan 0.000 0.481 121 L N 0.053 121.293 121.223 0.029 0.000 2.609 121 L HA 0.168 4.508 4.340 -0.000 0.000 0.230 121 L C 2.387 179.280 176.870 0.039 0.000 1.087 121 L CA -0.141 54.709 54.840 0.018 0.000 0.874 121 L CB -0.105 41.946 42.059 -0.014 0.000 1.114 121 L HN 0.197 nan 8.230 nan 0.000 0.488 122 M N 1.810 121.435 119.600 0.043 0.000 2.108 122 M HA -0.114 4.366 4.480 -0.000 0.000 0.261 122 M C -0.760 175.604 176.300 0.108 0.000 1.066 122 M CA 2.173 57.518 55.300 0.075 0.000 1.107 122 M CB -0.653 31.977 32.600 0.049 0.000 1.356 122 M HN -0.033 nan 8.290 nan 0.000 0.406 123 P HA -0.072 nan 4.420 nan 0.000 0.239 123 P C 1.035 178.377 177.300 0.070 0.000 1.184 123 P CA 0.961 64.096 63.100 0.060 0.000 0.760 123 P CB -0.191 31.523 31.700 0.023 0.000 0.884 124 I N -1.161 119.470 120.570 0.103 0.000 2.729 124 I HA -0.047 4.123 4.170 -0.000 0.000 0.256 124 I C 2.482 178.758 176.117 0.264 0.000 1.115 124 I CA 0.637 62.027 61.300 0.150 0.000 1.446 124 I CB -1.253 36.818 38.000 0.119 0.000 1.176 124 I HN -0.181 nan 8.210 nan 0.000 0.446 125 V N 0.294 120.348 119.914 0.233 0.000 2.343 125 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 125 V C 1.684 178.028 176.094 0.415 0.000 1.051 125 V CA 2.040 64.524 62.300 0.307 0.000 1.036 125 V CB -0.604 31.359 31.823 0.233 0.000 0.654 125 V HN 0.418 nan 8.190 nan 0.000 0.451 126 Y N -1.272 119.129 120.300 0.167 0.000 2.194 126 Y HA 0.197 4.747 4.550 -0.000 0.000 0.087 126 Y C 1.984 177.930 175.900 0.077 0.000 1.276 126 Y CA 0.662 58.840 58.100 0.131 0.000 1.701 126 Y CB 0.134 38.680 38.460 0.143 0.000 1.103 126 Y HN 0.088 nan 8.280 nan 0.000 0.209 127 T N 1.454 116.055 114.554 0.078 0.000 9.723 127 T HA -0.274 4.076 4.350 -0.000 0.000 0.319 127 T C -1.459 173.136 174.700 -0.176 0.000 1.568 127 T CA 3.000 65.090 62.100 -0.017 0.000 1.898 127 T CB -2.439 66.474 68.868 0.074 0.000 2.243 127 T HN 0.591 nan 8.240 nan 0.000 0.682 128 P HA 0.299 nan 4.420 nan 0.000 0.295 128 P C 1.156 178.360 177.300 -0.160 0.000 1.199 128 P CA 0.725 63.739 63.100 -0.145 0.000 0.951 128 P CB 0.365 32.006 31.700 -0.098 0.000 1.399 129 T N 0.517 114.998 114.554 -0.122 0.000 2.857 129 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 129 T C 1.846 176.368 174.700 -0.296 0.000 1.048 129 T CA 1.068 63.080 62.100 -0.146 0.000 1.139 129 T CB -0.841 68.009 68.868 -0.031 0.000 0.874 129 T HN -0.157 nan 8.240 nan 0.000 0.455 130 V N 1.677 121.421 119.914 -0.283 0.000 2.332 130 V HA -0.129 3.990 4.120 -0.000 0.000 0.248 130 V C 2.575 178.439 176.094 -0.384 0.000 1.055 130 V CA 2.415 64.469 62.300 -0.411 0.000 1.038 130 V CB -1.083 30.659 31.823 -0.135 0.000 0.651 130 V HN 0.582 nan 8.190 nan 0.000 0.450 131 G N -0.505 108.112 108.800 -0.305 0.000 2.418 131 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 131 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 131 G C 1.520 176.270 174.900 -0.250 0.000 1.158 131 G CA 1.054 46.010 45.100 -0.240 0.000 0.771 131 G HN 0.501 nan 8.290 nan 0.000 0.545 132 L N 1.420 122.478 121.223 -0.276 0.000 2.083 132 L HA 0.172 4.512 4.340 -0.000 0.000 0.209 132 L C 2.978 179.592 176.870 -0.426 0.000 1.083 132 L CA 2.001 56.664 54.840 -0.295 0.000 0.752 132 L CB -0.735 41.169 42.059 -0.259 0.000 0.899 132 L HN 0.232 nan 8.230 nan 0.000 0.433 133 A N -1.458 121.057 122.820 -0.508 0.000 1.898 133 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 133 A C 2.395 179.740 177.584 -0.399 0.000 1.181 133 A CA 1.662 53.336 52.037 -0.605 0.000 0.620 133 A CB -1.398 17.149 19.000 -0.754 0.000 0.819 133 A HN 0.604 nan 8.150 nan 0.000 0.442 134 C N -0.999 118.123 119.300 -0.296 0.000 2.432 134 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 134 C C 2.847 177.717 174.990 -0.200 0.000 1.249 134 C CA 1.300 60.217 59.018 -0.169 0.000 1.725 134 C CB -1.254 26.442 27.740 -0.073 0.000 2.028 134 C HN 0.768 nan 8.230 nan 0.000 0.477 135 Q N 0.933 120.620 119.800 -0.189 0.000 2.016 135 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 135 Q C 1.876 177.754 176.000 -0.203 0.000 0.978 135 Q CA 1.707 57.430 55.803 -0.134 0.000 0.833 135 Q CB -0.238 28.424 28.738 -0.127 0.000 0.895 135 Q HN 0.751 nan 8.270 nan 0.000 0.427 136 N N -1.099 117.392 118.700 -0.349 0.000 2.300 136 N HA -0.040 4.700 4.740 -0.000 0.000 0.179 136 N C 1.458 176.775 175.510 -0.323 0.000 1.016 136 N CA 0.728 53.545 53.050 -0.388 0.000 0.876 136 N CB 0.064 38.213 38.487 -0.562 0.000 0.979 136 N HN 0.218 nan 8.380 nan 0.000 0.432 137 F N 0.753 120.586 119.950 -0.196 0.000 2.530 137 F HA 0.195 4.722 4.527 -0.000 0.000 0.292 137 F C 1.994 177.600 175.800 -0.322 0.000 1.109 137 F CA -0.007 57.863 58.000 -0.218 0.000 1.450 137 F CB 0.073 38.951 39.000 -0.204 0.000 1.114 137 F HN 0.018 nan 8.300 nan 0.000 0.560 138 G N 0.639 109.195 108.800 -0.407 0.000 2.556 138 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.283 138 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.283 138 G C -0.519 174.055 174.900 -0.543 0.000 1.177 138 G CA 0.091 44.558 45.100 -1.055 0.000 0.978 138 G HN 0.246 nan 8.290 nan 0.000 0.554 139 Y N 2.068 122.205 120.300 -0.272 0.000 2.605 139 Y HA 0.538 5.088 4.550 -0.000 0.000 0.336 139 Y C 0.923 176.696 175.900 -0.211 0.000 1.111 139 Y CA -0.380 57.675 58.100 -0.074 0.000 1.422 139 Y CB -0.090 38.383 38.460 0.022 0.000 1.193 139 Y HN 0.438 nan 8.280 nan 0.000 0.526 140 I N 8.103 128.310 120.570 -0.605 0.000 2.321 140 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 140 I C -0.638 175.048 176.117 -0.719 0.000 0.998 140 I CA -0.752 60.194 61.300 -0.590 0.000 1.227 140 I CB 0.595 38.460 38.000 -0.224 0.000 1.368 140 I HN 0.531 nan 8.210 nan 0.000 0.466 141 Y N 7.316 127.338 120.300 -0.463 0.000 2.544 141 Y HA 0.285 4.835 4.550 -0.000 0.000 0.330 141 Y C 0.770 176.529 175.900 -0.235 0.000 1.136 141 Y CA -0.362 57.532 58.100 -0.344 0.000 1.417 141 Y CB 0.324 38.672 38.460 -0.186 0.000 1.229 141 Y HN 0.599 nan 8.280 nan 0.000 0.532 142 R N 0.767 121.256 120.500 -0.017 0.000 2.780 142 R HA 0.374 4.714 4.340 -0.000 0.000 0.280 142 R C -1.884 174.417 176.300 0.001 0.000 1.016 142 R CA -1.353 54.730 56.100 -0.029 0.000 0.854 142 R CB 0.924 31.185 30.300 -0.065 0.000 1.293 142 R HN 0.386 nan 8.270 nan 0.000 0.483 143 K N 0.794 121.181 120.400 -0.020 0.000 2.295 143 K HA 0.206 4.526 4.320 -0.000 0.000 0.270 143 K C -2.209 174.414 176.600 0.038 0.000 1.011 143 K CA -1.467 54.811 56.287 -0.015 0.000 0.953 143 K CB 0.413 32.874 32.500 -0.065 0.000 0.956 143 K HN 0.337 nan 8.250 nan 0.000 0.477 144 P HA -0.051 nan 4.420 nan 0.000 0.257 144 P C -0.511 176.923 177.300 0.223 0.000 1.227 144 P CA 0.459 63.663 63.100 0.173 0.000 0.981 144 P CB -0.058 31.747 31.700 0.175 0.000 1.044 145 K N 1.986 122.534 120.400 0.247 0.000 2.478 145 K HA 0.511 4.831 4.320 -0.000 0.000 0.205 145 K C 0.497 177.344 176.600 0.413 0.000 1.033 145 K CA -0.610 55.873 56.287 0.326 0.000 1.091 145 K CB 0.695 33.281 32.500 0.143 0.000 0.844 145 K HN 0.364 nan 8.250 nan 0.000 0.507 146 G N 0.780 109.808 108.800 0.380 0.000 2.608 146 G HA2 0.534 4.493 3.960 -0.000 0.000 0.291 146 G HA3 0.534 4.493 3.960 -0.000 0.000 0.291 146 G C -1.957 172.976 174.900 0.056 0.000 1.425 146 G CA -0.983 44.156 45.100 0.065 0.000 0.787 146 G HN 0.055 nan 8.290 nan 0.000 0.484 147 L N -0.380 120.740 121.223 -0.171 0.000 2.354 147 L HA 0.568 4.908 4.340 -0.000 0.000 0.269 147 L C -1.351 175.411 176.870 -0.181 0.000 1.005 147 L CA -0.992 53.812 54.840 -0.060 0.000 0.819 147 L CB 2.376 44.389 42.059 -0.076 0.000 1.311 147 L HN 0.520 nan 8.230 nan 0.000 0.423 148 Y N 2.934 123.241 120.300 0.011 0.000 2.328 148 Y HA 0.565 5.115 4.550 -0.000 0.000 0.337 148 Y C -0.149 175.740 175.900 -0.018 0.000 0.966 148 Y CA -0.458 57.632 58.100 -0.016 0.000 1.136 148 Y CB 1.429 39.888 38.460 -0.002 0.000 1.170 148 Y HN 0.281 nan 8.280 nan 0.000 0.470 149 I N 3.816 124.427 120.570 0.069 0.000 2.418 149 I HA 0.359 4.529 4.170 -0.000 0.000 0.287 149 I C 0.007 176.132 176.117 0.014 0.000 1.008 149 I CA -0.578 60.745 61.300 0.038 0.000 1.104 149 I CB 1.857 39.860 38.000 0.005 0.000 1.264 149 I HN 0.648 nan 8.210 nan 0.000 0.438 150 T N 2.193 116.772 114.554 0.041 0.000 2.937 150 T HA 0.362 4.712 4.350 -0.000 0.000 0.283 150 T C 0.811 175.536 174.700 0.041 0.000 1.012 150 T CA -0.601 61.525 62.100 0.043 0.000 0.997 150 T CB 1.651 70.554 68.868 0.058 0.000 1.136 150 T HN 0.419 nan 8.240 nan 0.000 0.551 151 I N 0.961 121.570 120.570 0.065 0.000 2.850 151 I HA 0.004 4.174 4.170 -0.000 0.000 0.266 151 I C 1.196 177.342 176.117 0.049 0.000 1.257 151 I CA 1.046 62.381 61.300 0.058 0.000 1.465 151 I CB -0.588 37.466 38.000 0.089 0.000 1.091 151 I HN 0.545 nan 8.210 nan 0.000 0.467 152 N N 0.511 119.244 118.700 0.055 0.000 2.322 152 N HA 0.049 4.789 4.740 -0.000 0.000 0.194 152 N C -0.094 175.439 175.510 0.040 0.000 1.126 152 N CA 0.361 53.437 53.050 0.044 0.000 0.845 152 N CB 0.097 38.613 38.487 0.047 0.000 0.976 152 N HN 0.391 nan 8.380 nan 0.000 0.475 153 D N -0.030 120.396 120.400 0.043 0.000 2.788 153 D HA 0.034 4.674 4.640 -0.000 0.000 0.289 153 D C -0.246 176.083 176.300 0.049 0.000 1.340 153 D CA -0.187 53.842 54.000 0.047 0.000 0.831 153 D CB -0.097 40.736 40.800 0.055 0.000 1.103 153 D HN -0.077 nan 8.370 nan 0.000 0.476 154 N N 2.109 120.834 118.700 0.041 0.000 2.549 154 N HA 0.047 4.787 4.740 -0.000 0.000 0.267 154 N C -0.844 174.691 175.510 0.042 0.000 1.182 154 N CA 0.337 53.412 53.050 0.041 0.000 1.019 154 N CB -0.142 38.366 38.487 0.034 0.000 1.380 154 N HN 0.107 nan 8.380 nan 0.000 0.505 155 S N -0.253 115.476 115.700 0.049 0.000 2.680 155 S HA 0.089 4.559 4.470 -0.000 0.000 0.284 155 S C 0.666 175.295 174.600 0.049 0.000 1.055 155 S CA -0.786 57.439 58.200 0.042 0.000 0.849 155 S CB 0.189 63.409 63.200 0.033 0.000 1.068 155 S HN -0.106 nan 8.310 nan 0.000 0.453 156 V N 2.406 122.342 119.914 0.036 0.000 2.332 156 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 156 V C 2.722 178.849 176.094 0.055 0.000 1.055 156 V CA 2.676 64.997 62.300 0.034 0.000 1.038 156 V CB -1.288 30.535 31.823 0.001 0.000 0.651 156 V HN 0.913 nan 8.190 nan 0.000 0.450 157 S N -0.572 115.144 115.700 0.027 0.000 2.368 157 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 157 S C 1.991 176.649 174.600 0.097 0.000 1.030 157 S CA 1.527 59.750 58.200 0.038 0.000 0.999 157 S CB -0.257 62.942 63.200 -0.002 0.000 0.844 157 S HN 0.598 nan 8.310 nan 0.000 0.459 158 K N 0.794 121.238 120.400 0.074 0.000 2.097 158 K HA 0.065 4.385 4.320 -0.000 0.000 0.205 158 K C 1.931 178.586 176.600 0.091 0.000 1.050 158 K CA 1.079 57.412 56.287 0.076 0.000 0.938 158 K CB -0.254 32.281 32.500 0.058 0.000 0.718 158 K HN 0.334 nan 8.250 nan 0.000 0.442 159 I N -0.232 120.397 120.570 0.098 0.000 2.353 159 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 159 I C 2.209 178.373 176.117 0.079 0.000 1.119 159 I CA 0.989 62.349 61.300 0.099 0.000 1.417 159 I CB -0.221 37.850 38.000 0.117 0.000 1.078 159 I HN 0.131 nan 8.210 nan 0.000 0.421 160 Y N 1.916 122.194 120.300 -0.035 0.000 2.128 160 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 160 Y C 2.739 178.615 175.900 -0.040 0.000 1.154 160 Y CA 1.686 59.742 58.100 -0.073 0.000 1.149 160 Y CB -0.079 38.337 38.460 -0.074 0.000 0.976 160 Y HN 0.135 nan 8.280 nan 0.000 0.505 161 Q N 0.157 120.055 119.800 0.164 0.000 2.170 161 Q HA -0.160 4.180 4.340 -0.000 0.000 0.203 161 Q C 2.421 178.445 176.000 0.040 0.000 0.976 161 Q CA 1.731 57.594 55.803 0.100 0.000 0.858 161 Q CB -0.386 28.417 28.738 0.109 0.000 0.907 161 Q HN 0.627 nan 8.270 nan 0.000 0.433 162 I N 0.107 120.704 120.570 0.044 0.000 2.353 162 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 162 I C 2.050 178.194 176.117 0.045 0.000 1.119 162 I CA 0.693 62.029 61.300 0.060 0.000 1.417 162 I CB -0.188 37.858 38.000 0.077 0.000 1.078 162 I HN 0.132 nan 8.210 nan 0.000 0.421 163 L N -0.246 120.952 121.223 -0.040 0.000 2.141 163 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 163 L C 2.460 179.309 176.870 -0.035 0.000 1.094 163 L CA 0.920 55.723 54.840 -0.062 0.000 0.763 163 L CB -0.537 41.364 42.059 -0.262 0.000 0.908 163 L HN 0.138 nan 8.230 nan 0.000 0.437 164 S N -0.022 115.594 115.700 -0.139 0.000 2.507 164 S HA -0.060 4.409 4.470 -0.000 0.000 0.235 164 S C 1.473 176.099 174.600 0.044 0.000 0.988 164 S CA 0.662 58.809 58.200 -0.089 0.000 0.944 164 S CB -0.229 62.910 63.200 -0.102 0.000 0.762 164 S HN 0.458 nan 8.310 nan 0.000 0.526 165 N N 0.127 118.882 118.700 0.092 0.000 2.412 165 N HA 0.026 4.766 4.740 -0.000 0.000 0.184 165 N C -0.020 175.599 175.510 0.180 0.000 1.101 165 N CA 0.036 53.161 53.050 0.125 0.000 0.881 165 N CB 0.039 38.602 38.487 0.126 0.000 0.969 165 N HN 0.540 nan 8.380 nan 0.000 0.459 166 W N 3.525 124.803 121.300 -0.037 0.000 2.238 166 W HA 0.005 4.665 4.660 -0.000 0.000 0.321 166 W C 1.224 177.657 176.519 -0.143 0.000 1.293 166 W CA -0.243 57.002 57.345 -0.166 0.000 1.204 166 W CB 0.538 29.906 29.460 -0.154 0.000 1.167 166 W HN 0.264 nan 8.180 nan 0.000 0.553 167 H N 2.279 121.056 119.070 -0.488 0.000 2.290 167 H HA -0.169 4.387 4.556 -0.000 0.000 0.298 167 H C 0.276 175.488 175.328 -0.193 0.000 1.087 167 H CA 1.167 57.009 56.048 -0.343 0.000 1.291 167 H CB -0.698 28.804 29.762 -0.433 0.000 1.369 167 H HN 0.279 nan 8.280 nan 0.000 0.492 168 E N 1.635 121.660 120.200 -0.291 0.000 2.316 168 E HA 0.010 4.360 4.350 -0.000 0.000 0.275 168 E C 0.670 177.411 176.600 0.236 0.000 1.029 168 E CA -0.126 56.309 56.400 0.058 0.000 0.871 168 E CB 0.858 30.638 29.700 0.134 0.000 1.022 168 E HN 0.191 nan 8.360 nan 0.000 0.418 169 E N 2.718 123.039 120.200 0.202 0.000 2.364 169 E HA -0.037 4.313 4.350 -0.000 0.000 0.196 169 E C -0.180 176.563 176.600 0.239 0.000 0.990 169 E CA 0.279 56.833 56.400 0.257 0.000 0.886 169 E CB 0.282 30.088 29.700 0.177 0.000 0.866 169 E HN 0.453 nan 8.360 nan 0.000 0.493 170 D N 1.333 121.839 120.400 0.176 0.000 2.896 170 D HA 0.073 4.713 4.640 -0.000 0.000 0.240 170 D C -0.768 175.572 176.300 0.065 0.000 1.193 170 D CA -0.221 53.864 54.000 0.142 0.000 0.983 170 D CB -0.162 40.766 40.800 0.214 0.000 1.074 170 D HN -0.275 nan 8.370 nan 0.000 0.496 171 V N 2.568 122.354 119.914 -0.213 0.000 2.488 171 V HA 0.289 4.409 4.120 -0.000 0.000 0.277 171 V C 1.476 177.343 176.094 -0.377 0.000 1.046 171 V CA 0.012 62.032 62.300 -0.466 0.000 0.986 171 V CB 1.431 32.439 31.823 -1.357 0.000 0.989 171 V HN 0.343 nan 8.190 nan 0.000 0.475 172 R N 2.681 123.048 120.500 -0.222 0.000 2.517 172 R HA 0.480 4.820 4.340 -0.000 0.000 0.265 172 R C 0.190 176.433 176.300 -0.094 0.000 0.921 172 R CA 0.250 56.213 56.100 -0.230 0.000 1.054 172 R CB 1.236 31.237 30.300 -0.498 0.000 1.340 172 R HN 0.663 nan 8.270 nan 0.000 0.551 173 A N 1.609 124.407 122.820 -0.037 0.000 2.353 173 A HA 0.646 4.966 4.320 -0.000 0.000 0.299 173 A C -0.853 176.659 177.584 -0.120 0.000 1.089 173 A CA -0.507 51.539 52.037 0.016 0.000 0.736 173 A CB 0.997 20.104 19.000 0.178 0.000 1.195 173 A HN 0.084 nan 8.150 nan 0.000 0.447 174 I N 2.495 122.989 120.570 -0.128 0.000 2.498 174 I HA 0.433 4.603 4.170 -0.000 0.000 0.290 174 I C -0.902 175.101 176.117 -0.189 0.000 1.032 174 I CA -0.975 60.212 61.300 -0.190 0.000 1.073 174 I CB 2.279 40.185 38.000 -0.157 0.000 1.251 174 I HN 0.309 nan 8.210 nan 0.000 0.426 175 V N 7.005 126.764 119.914 -0.258 0.000 2.378 175 V HA 0.418 4.537 4.120 -0.000 0.000 0.288 175 V C -0.324 175.637 176.094 -0.221 0.000 1.016 175 V CA -0.634 61.511 62.300 -0.259 0.000 0.840 175 V CB 2.131 33.739 31.823 -0.358 0.000 0.994 175 V HN 0.478 nan 8.190 nan 0.000 0.431 176 V N 4.883 124.664 119.914 -0.222 0.000 2.715 176 V HA 0.885 5.005 4.120 -0.000 0.000 0.310 176 V C -0.285 175.702 176.094 -0.180 0.000 1.054 176 V CA 0.116 62.255 62.300 -0.270 0.000 0.928 176 V CB 2.525 34.103 31.823 -0.408 0.000 1.007 176 V HN 0.960 nan 8.190 nan 0.000 0.437 177 T N 2.306 116.675 114.554 -0.309 0.000 2.923 177 T HA 0.412 4.762 4.350 -0.000 0.000 0.311 177 T C -0.465 173.819 174.700 -0.692 0.000 1.183 177 T CA 0.093 61.844 62.100 -0.582 0.000 1.020 177 T CB 1.633 70.289 68.868 -0.353 0.000 1.165 177 T HN 0.924 nan 8.240 nan 0.000 0.482 178 D N 1.067 120.839 120.400 -1.048 0.000 2.369 178 D HA 0.253 4.893 4.640 -0.000 0.000 0.211 178 D C 1.476 177.594 176.300 -0.304 0.000 1.077 178 D CA 0.616 54.324 54.000 -0.487 0.000 0.842 178 D CB -0.291 40.363 40.800 -0.243 0.000 0.947 178 D HN 1.088 nan 8.370 nan 0.000 0.509 179 G N 1.063 109.655 108.800 -0.347 0.000 2.168 179 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.257 179 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.257 179 G C 0.759 175.583 174.900 -0.127 0.000 0.997 179 G CA 0.673 45.666 45.100 -0.179 0.000 0.708 179 G HN 0.513 nan 8.290 nan 0.000 0.520 180 E N -0.356 119.752 120.200 -0.154 0.000 2.112 180 E HA 0.039 4.389 4.350 -0.000 0.000 0.190 180 E C 1.756 178.324 176.600 -0.055 0.000 0.979 180 E CA 0.485 56.837 56.400 -0.081 0.000 0.814 180 E CB 0.043 29.711 29.700 -0.054 0.000 0.762 180 E HN 0.364 nan 8.360 nan 0.000 0.460 181 R N 1.281 121.749 120.500 -0.053 0.000 2.835 181 R HA 0.257 4.597 4.340 -0.000 0.000 0.290 181 R C -0.906 175.379 176.300 -0.026 0.000 1.410 181 R CA -0.334 55.754 56.100 -0.020 0.000 1.590 181 R CB 0.029 30.343 30.300 0.023 0.000 1.288 181 R HN 0.152 nan 8.270 nan 0.000 0.637 182 I N 3.044 123.586 120.570 -0.047 0.000 2.671 182 I HA -0.101 4.069 4.170 -0.000 0.000 0.285 182 I C 0.691 176.774 176.117 -0.056 0.000 1.148 182 I CA -0.181 61.085 61.300 -0.057 0.000 1.386 182 I CB 0.297 38.257 38.000 -0.066 0.000 1.406 182 I HN 0.253 nan 8.210 nan 0.000 0.540 183 L N 8.295 129.487 121.223 -0.051 0.000 2.810 183 L HA -0.021 4.319 4.340 -0.000 0.000 0.279 183 L C 1.209 178.040 176.870 -0.066 0.000 1.144 183 L CA 1.496 56.310 54.840 -0.045 0.000 0.998 183 L CB -0.602 41.434 42.059 -0.039 0.000 1.342 183 L HN 0.921 nan 8.230 nan 0.000 0.473 184 G N 3.223 111.994 108.800 -0.048 0.000 2.176 184 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.253 184 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.253 184 G C 0.665 175.528 174.900 -0.062 0.000 0.979 184 G CA 0.417 45.485 45.100 -0.054 0.000 0.641 184 G HN 0.608 nan 8.290 nan 0.000 0.530 185 L N -0.969 120.217 121.223 -0.063 0.000 2.953 185 L HA 0.534 4.874 4.340 -0.000 0.000 0.258 185 L C 1.695 178.534 176.870 -0.051 0.000 1.100 185 L CA 0.629 55.431 54.840 -0.064 0.000 0.971 185 L CB 0.405 42.416 42.059 -0.080 0.000 1.474 185 L HN 1.243 nan 8.230 nan 0.000 0.540 186 G N 0.731 109.503 108.800 -0.046 0.000 2.466 186 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 186 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 186 G C -0.899 173.975 174.900 -0.043 0.000 1.237 186 G CA -0.218 44.858 45.100 -0.041 0.000 0.954 186 G HN 0.113 nan 8.290 nan 0.000 0.580 187 D N 1.179 121.551 120.400 -0.047 0.000 2.338 187 D HA 0.431 5.071 4.640 -0.000 0.000 0.255 187 D C 1.293 177.561 176.300 -0.053 0.000 1.237 187 D CA 0.014 53.981 54.000 -0.054 0.000 0.883 187 D CB 0.402 41.164 40.800 -0.062 0.000 1.087 187 D HN 0.403 nan 8.370 nan 0.000 0.485 188 L N 3.162 124.369 121.223 -0.027 0.000 2.906 188 L HA 0.272 4.612 4.340 -0.000 0.000 0.255 188 L C 1.661 178.556 176.870 0.043 0.000 1.166 188 L CA -0.194 54.661 54.840 0.025 0.000 0.977 188 L CB 0.107 42.219 42.059 0.087 0.000 1.313 188 L HN 0.603 nan 8.230 nan 0.000 0.549 189 G N 1.505 110.305 108.800 0.000 0.000 2.627 189 G HA2 -0.459 3.500 3.960 -0.000 0.000 0.312 189 G HA3 -0.459 3.500 3.960 -0.000 0.000 0.312 189 G C 0.999 175.971 174.900 0.120 0.000 1.299 189 G CA 0.559 45.694 45.100 0.058 0.000 0.989 189 G HN 0.368 nan 8.290 nan 0.000 0.547 190 A N -1.001 121.921 122.820 0.170 0.000 2.225 190 A HA 0.152 4.472 4.320 -0.000 0.000 0.215 190 A C 1.897 179.674 177.584 0.322 0.000 1.164 190 A CA 2.036 54.177 52.037 0.173 0.000 0.710 190 A CB -0.454 18.544 19.000 -0.004 0.000 0.780 190 A HN 0.692 nan 8.150 nan 0.000 0.473 191 Y N -1.144 119.292 120.300 0.226 0.000 2.544 191 Y HA 0.005 4.555 4.550 -0.000 0.000 0.286 191 Y C 2.380 178.333 175.900 0.090 0.000 1.141 191 Y CA -0.072 58.135 58.100 0.177 0.000 1.299 191 Y CB 0.158 38.716 38.460 0.163 0.000 1.030 191 Y HN 0.474 nan 8.280 nan 0.000 0.543 192 G N -0.003 108.914 108.800 0.196 0.000 2.848 192 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.208 192 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.208 192 G C 1.362 176.272 174.900 0.017 0.000 1.152 192 G CA 0.078 45.218 45.100 0.065 0.000 0.789 192 G HN 0.347 nan 8.290 nan 0.000 0.531 193 I N 1.756 122.345 120.570 0.031 0.000 2.399 193 I HA -0.089 4.081 4.170 -0.000 0.000 0.254 193 I C 2.573 178.684 176.117 -0.011 0.000 1.146 193 I CA 1.330 62.589 61.300 -0.069 0.000 1.412 193 I CB -0.292 37.632 38.000 -0.128 0.000 1.076 193 I HN 0.085 nan 8.210 nan 0.000 0.432 194 G N 0.420 109.255 108.800 0.058 0.000 2.509 194 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 194 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 194 G C 1.505 176.484 174.900 0.132 0.000 1.124 194 G CA 0.666 45.836 45.100 0.116 0.000 0.776 194 G HN 0.369 nan 8.290 nan 0.000 0.547 195 I N 1.725 122.345 120.570 0.083 0.000 2.163 195 I HA -0.040 4.130 4.170 -0.000 0.000 0.240 195 I C -0.060 176.160 176.117 0.171 0.000 1.081 195 I CA 0.826 62.227 61.300 0.168 0.000 1.353 195 I CB -1.946 36.098 38.000 0.073 0.000 1.054 195 I HN 0.060 nan 8.210 nan 0.000 0.407 196 P HA -0.074 nan 4.420 nan 0.000 0.217 196 P C 2.281 179.534 177.300 -0.078 0.000 1.150 196 P CA 1.008 64.054 63.100 -0.090 0.000 0.832 196 P CB 0.074 31.682 31.700 -0.153 0.000 0.787 197 V N 0.120 120.028 119.914 -0.011 0.000 2.255 197 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 197 V C 2.592 178.731 176.094 0.075 0.000 1.051 197 V CA 2.647 64.959 62.300 0.021 0.000 1.018 197 V CB -1.879 29.976 31.823 0.053 0.000 0.641 197 V HN 0.181 nan 8.190 nan 0.000 0.445 198 G N -0.642 108.269 108.800 0.186 0.000 2.422 198 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 198 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 198 G C 1.602 176.521 174.900 0.031 0.000 1.146 198 G CA 1.107 46.380 45.100 0.289 0.000 0.769 198 G HN 0.453 nan 8.290 nan 0.000 0.547 199 K N -0.224 120.034 120.400 -0.235 0.000 2.026 199 K HA 0.030 4.350 4.320 -0.000 0.000 0.208 199 K C 2.327 178.801 176.600 -0.210 0.000 1.048 199 K CA 0.653 56.612 56.287 -0.547 0.000 0.929 199 K CB -0.458 31.717 32.500 -0.542 0.000 0.713 199 K HN 0.170 nan 8.250 nan 0.000 0.439 200 L N 0.492 121.578 121.223 -0.228 0.000 2.093 200 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 200 L C 2.228 179.154 176.870 0.094 0.000 1.085 200 L CA 1.950 56.663 54.840 -0.211 0.000 0.755 200 L CB -1.490 40.440 42.059 -0.215 0.000 0.904 200 L HN 0.282 nan 8.230 nan 0.000 0.435 201 A N -0.879 122.045 122.820 0.174 0.000 1.978 201 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 201 A C 2.315 180.144 177.584 0.409 0.000 1.170 201 A CA 1.385 53.658 52.037 0.392 0.000 0.636 201 A CB -0.482 18.758 19.000 0.399 0.000 0.810 201 A HN 0.425 nan 8.150 nan 0.000 0.448 202 L N -2.611 118.798 121.223 0.310 0.000 2.131 202 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 202 L C 2.449 179.545 176.870 0.377 0.000 1.087 202 L CA 0.765 55.802 54.840 0.328 0.000 0.767 202 L CB -0.625 41.658 42.059 0.374 0.000 0.917 202 L HN 0.350 nan 8.230 nan 0.000 0.441 203 Y N 0.257 120.693 120.300 0.226 0.000 2.114 203 Y HA -0.273 4.277 4.550 -0.000 0.000 0.282 203 Y C 2.532 178.458 175.900 0.044 0.000 1.165 203 Y CA 1.463 59.672 58.100 0.182 0.000 1.148 203 Y CB -0.854 37.695 38.460 0.149 0.000 0.972 203 Y HN -0.127 nan 8.280 nan 0.000 0.504 204 V N -0.664 119.332 119.914 0.137 0.000 2.255 204 V HA -0.283 3.837 4.120 -0.000 0.000 0.243 204 V C 2.520 178.528 176.094 -0.144 0.000 1.038 204 V CA 1.776 63.959 62.300 -0.196 0.000 1.008 204 V CB -1.458 29.948 31.823 -0.694 0.000 0.645 204 V HN 0.410 nan 8.190 nan 0.000 0.449 205 A N -0.459 122.386 122.820 0.042 0.000 1.940 205 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 205 A C 2.126 179.746 177.584 0.060 0.000 1.176 205 A CA 1.929 54.055 52.037 0.149 0.000 0.631 205 A CB -0.411 18.760 19.000 0.285 0.000 0.814 205 A HN 0.543 nan 8.150 nan 0.000 0.446 206 L N -2.453 118.789 121.223 0.031 0.000 2.425 206 L HA 0.187 4.526 4.340 -0.000 0.000 0.215 206 L C 2.547 179.376 176.870 -0.068 0.000 1.065 206 L CA 0.732 55.544 54.840 -0.046 0.000 0.842 206 L CB -0.469 41.514 42.059 -0.126 0.000 1.033 206 L HN 0.418 nan 8.230 nan 0.000 0.474 207 G N -0.710 108.061 108.800 -0.049 0.000 2.545 207 G HA2 0.266 4.226 3.960 -0.000 0.000 0.212 207 G HA3 0.266 4.226 3.960 -0.000 0.000 0.212 207 G C 1.278 176.167 174.900 -0.018 0.000 1.144 207 G CA 0.746 45.813 45.100 -0.055 0.000 0.813 207 G HN 0.454 nan 8.290 nan 0.000 0.531 208 G N -0.967 107.826 108.800 -0.011 0.000 2.176 208 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.232 208 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.232 208 G C 0.310 175.193 174.900 -0.028 0.000 0.986 208 G CA 0.040 45.137 45.100 -0.006 0.000 0.643 208 G HN 0.754 nan 8.290 nan 0.000 0.522 209 V N 2.252 122.164 119.914 -0.004 0.000 2.694 209 V HA 0.149 4.269 4.120 -0.000 0.000 0.306 209 V C 1.054 177.002 176.094 -0.244 0.000 1.054 209 V CA 0.087 62.410 62.300 0.039 0.000 1.161 209 V CB 1.227 33.185 31.823 0.226 0.000 0.916 209 V HN 0.418 nan 8.190 nan 0.000 0.490 210 Q N 7.433 126.858 119.800 -0.624 0.000 2.255 210 Q HA 0.062 4.402 4.340 -0.000 0.000 0.280 210 Q C -1.193 174.408 176.000 -0.665 0.000 1.068 210 Q CA -1.366 53.859 55.803 -0.964 0.000 0.911 210 Q CB 0.737 28.246 28.738 -2.048 0.000 1.157 210 Q HN 0.528 nan 8.270 nan 0.000 0.380 211 P HA -0.214 nan 4.420 nan 0.000 0.219 211 P C 0.764 177.965 177.300 -0.165 0.000 1.146 211 P CA 1.435 64.307 63.100 -0.381 0.000 0.808 211 P CB 0.220 31.641 31.700 -0.465 0.000 0.779 212 K N -1.577 118.694 120.400 -0.215 0.000 2.365 212 K HA -0.091 4.229 4.320 -0.000 0.000 0.199 212 K C 1.502 178.189 176.600 0.146 0.000 1.045 212 K CA 0.780 57.053 56.287 -0.023 0.000 0.962 212 K CB -0.667 31.812 32.500 -0.035 0.000 0.759 212 K HN 0.084 nan 8.250 nan 0.000 0.469 213 W N 1.512 122.802 121.300 -0.017 0.000 2.905 213 W HA 0.158 4.818 4.660 -0.000 0.000 0.251 213 W C 0.144 176.610 176.519 -0.089 0.000 1.305 213 W CA -1.376 55.939 57.345 -0.051 0.000 1.465 213 W CB -0.892 28.544 29.460 -0.039 0.000 1.122 213 W HN -0.032 nan 8.180 nan 0.000 0.659 214 C N 2.341 121.724 119.300 0.139 0.000 2.435 214 C HA 0.508 4.968 4.460 -0.000 0.000 0.375 214 C C 0.249 175.198 174.990 -0.069 0.000 1.281 214 C CA -0.602 58.418 59.018 0.005 0.000 1.963 214 C CB -0.098 27.633 27.740 -0.015 0.000 2.490 214 C HN -0.007 nan 8.230 nan 0.000 0.557 215 L N 6.716 127.779 121.223 -0.265 0.000 2.457 215 L HA 0.555 4.895 4.340 -0.000 0.000 0.266 215 L C -2.820 173.777 176.870 -0.455 0.000 0.979 215 L CA -1.777 52.735 54.840 -0.546 0.000 0.857 215 L CB 1.315 42.910 42.059 -0.772 0.000 1.213 215 L HN 0.385 nan 8.230 nan 0.000 0.418 216 P HA 0.435 nan 4.420 nan 0.000 0.285 216 P C -1.281 175.823 177.300 -0.328 0.000 1.259 216 P CA -0.268 62.654 63.100 -0.296 0.000 0.794 216 P CB 1.610 33.197 31.700 -0.189 0.000 0.940 217 V N 4.289 124.038 119.914 -0.276 0.000 2.789 217 V HA 0.475 4.595 4.120 -0.000 0.000 0.311 217 V C -0.442 175.468 176.094 -0.306 0.000 1.073 217 V CA -0.708 61.427 62.300 -0.274 0.000 0.921 217 V CB 2.203 33.922 31.823 -0.174 0.000 1.009 217 V HN 0.396 nan 8.190 nan 0.000 0.426 218 L N 4.997 126.019 121.223 -0.335 0.000 2.376 218 L HA 0.656 4.996 4.340 -0.000 0.000 0.275 218 L C -1.214 175.508 176.870 -0.247 0.000 0.987 218 L CA -0.365 54.293 54.840 -0.304 0.000 0.828 218 L CB 1.389 43.263 42.059 -0.309 0.000 1.249 218 L HN 0.564 nan 8.230 nan 0.000 0.409 219 L N 4.302 125.363 121.223 -0.270 0.000 2.276 219 L HA 0.421 4.761 4.340 -0.000 0.000 0.286 219 L C -0.710 176.109 176.870 -0.084 0.000 1.061 219 L CA -0.393 54.318 54.840 -0.216 0.000 0.807 219 L CB 1.236 43.114 42.059 -0.302 0.000 1.177 219 L HN 0.565 nan 8.230 nan 0.000 0.429 220 D N 2.821 123.217 120.400 -0.008 0.000 2.441 220 D HA 0.288 4.928 4.640 -0.000 0.000 0.231 220 D C 0.297 176.653 176.300 0.093 0.000 1.073 220 D CA -0.376 53.651 54.000 0.046 0.000 0.850 220 D CB 1.869 42.705 40.800 0.060 0.000 1.062 220 D HN 0.275 nan 8.370 nan 0.000 0.524 221 V N 1.562 121.564 119.914 0.147 0.000 3.380 221 V HA 0.714 4.834 4.120 -0.000 0.000 0.307 221 V C 0.843 177.166 176.094 0.381 0.000 1.434 221 V CA 0.476 62.928 62.300 0.253 0.000 1.075 221 V CB -0.205 31.796 31.823 0.297 0.000 0.954 221 V HN 0.688 nan 8.190 nan 0.000 0.444 222 G N -0.263 108.656 108.800 0.198 0.000 2.373 222 G HA2 0.301 4.261 3.960 -0.000 0.000 0.634 222 G HA3 0.301 4.261 3.960 -0.000 0.000 0.634 222 G C -0.529 174.393 174.900 0.037 0.000 1.267 222 G CA 0.022 45.148 45.100 0.044 0.000 1.008 222 G HN 1.086 nan 8.290 nan 0.000 0.497 223 T N -0.873 113.677 114.554 -0.007 0.000 2.932 223 T HA 0.596 4.946 4.350 -0.000 0.000 0.318 223 T C -0.154 174.507 174.700 -0.065 0.000 1.265 223 T CA -0.220 61.845 62.100 -0.058 0.000 1.036 223 T CB 1.436 70.204 68.868 -0.168 0.000 1.209 223 T HN 0.539 nan 8.240 nan 0.000 0.484 224 N N 2.837 121.499 118.700 -0.063 0.000 2.235 224 N HA 0.101 4.840 4.740 -0.000 0.000 0.209 224 N C -0.049 175.413 175.510 -0.081 0.000 1.122 224 N CA -0.150 52.867 53.050 -0.055 0.000 0.845 224 N CB 0.169 38.633 38.487 -0.037 0.000 1.004 224 N HN 0.514 nan 8.380 nan 0.000 0.499 225 N N 1.871 120.497 118.700 -0.123 0.000 2.402 225 N HA 0.063 4.803 4.740 -0.000 0.000 0.252 225 N C 1.091 176.507 175.510 -0.157 0.000 1.118 225 N CA -0.140 52.829 53.050 -0.135 0.000 0.945 225 N CB 0.612 38.999 38.487 -0.166 0.000 1.147 225 N HN -0.114 nan 8.380 nan 0.000 0.495 226 M N 1.762 121.296 119.600 -0.109 0.000 2.202 226 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 226 M C 0.868 177.101 176.300 -0.112 0.000 1.063 226 M CA 1.168 56.409 55.300 -0.099 0.000 1.097 226 M CB -0.602 31.958 32.600 -0.066 0.000 1.382 226 M HN 0.483 nan 8.290 nan 0.000 0.413 227 D N 0.339 120.673 120.400 -0.109 0.000 2.149 227 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 227 D C 2.231 178.449 176.300 -0.137 0.000 0.990 227 D CA 1.100 55.041 54.000 -0.097 0.000 0.839 227 D CB -0.157 40.600 40.800 -0.072 0.000 0.948 227 D HN 0.366 nan 8.370 nan 0.000 0.460 228 L N 0.233 121.310 121.223 -0.244 0.000 2.109 228 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 228 L C 2.498 179.127 176.870 -0.402 0.000 1.086 228 L CA 0.502 55.071 54.840 -0.452 0.000 0.760 228 L CB -0.318 41.192 42.059 -0.915 0.000 0.910 228 L HN 0.002 nan 8.230 nan 0.000 0.437 229 L N -0.151 120.896 121.223 -0.293 0.000 2.376 229 L HA -0.111 4.229 4.340 -0.000 0.000 0.219 229 L C 1.784 178.609 176.870 -0.074 0.000 1.133 229 L CA 0.611 55.361 54.840 -0.151 0.000 0.816 229 L CB -0.412 41.581 42.059 -0.110 0.000 0.933 229 L HN 0.375 nan 8.230 nan 0.000 0.449 230 N N -1.078 117.572 118.700 -0.084 0.000 2.325 230 N HA -0.030 4.710 4.740 -0.000 0.000 0.182 230 N C 0.262 175.739 175.510 -0.055 0.000 1.088 230 N CA 0.243 53.258 53.050 -0.057 0.000 0.879 230 N CB 0.181 38.633 38.487 -0.059 0.000 0.983 230 N HN 0.162 nan 8.380 nan 0.000 0.471 231 D N 2.425 122.796 120.400 -0.048 0.000 2.339 231 D HA 0.070 4.709 4.640 -0.000 0.000 0.256 231 D C -1.460 174.848 176.300 0.014 0.000 1.214 231 D CA -1.796 52.191 54.000 -0.022 0.000 0.877 231 D CB 1.389 42.217 40.800 0.046 0.000 1.111 231 D HN 0.098 nan 8.370 nan 0.000 0.478 232 P HA -0.032 nan 4.420 nan 0.000 0.242 232 P C 0.683 178.103 177.300 0.200 0.000 1.197 232 P CA 0.578 63.643 63.100 -0.058 0.000 0.765 232 P CB -0.036 31.527 31.700 -0.229 0.000 0.936 233 F N -2.482 117.540 119.950 0.119 0.000 2.661 233 F HA 0.192 4.719 4.527 -0.000 0.000 0.306 233 F C 1.051 176.986 175.800 0.225 0.000 1.094 233 F CA -1.074 57.015 58.000 0.149 0.000 1.254 233 F CB 0.258 39.355 39.000 0.163 0.000 1.040 233 F HN -0.176 nan 8.300 nan 0.000 0.562 234 Y N 2.430 122.849 120.300 0.197 0.000 2.511 234 Y HA 0.118 4.668 4.550 -0.000 0.000 0.332 234 Y C 0.947 176.823 175.900 -0.040 0.000 1.177 234 Y CA -0.616 57.477 58.100 -0.012 0.000 1.422 234 Y CB 0.804 39.182 38.460 -0.137 0.000 1.271 234 Y HN 0.150 nan 8.280 nan 0.000 0.550 235 I N 2.755 122.921 120.570 -0.674 0.000 3.974 235 I HA 0.484 4.654 4.170 -0.000 0.000 0.334 235 I C 0.589 176.214 176.117 -0.821 0.000 1.437 235 I CA -0.280 60.679 61.300 -0.568 0.000 1.113 235 I CB 0.035 37.849 38.000 -0.310 0.000 1.063 235 I HN 0.512 nan 8.210 nan 0.000 0.400 236 G N 0.541 108.376 108.800 -1.609 0.000 2.613 236 G HA2 0.575 4.535 3.960 -0.000 0.000 0.303 236 G HA3 0.575 4.535 3.960 -0.000 0.000 0.303 236 G C -0.834 173.733 174.900 -0.556 0.000 1.312 236 G CA -0.813 43.701 45.100 -0.977 0.000 1.036 236 G HN 0.039 nan 8.290 nan 0.000 0.513 237 L N 0.323 121.363 121.223 -0.305 0.000 2.513 237 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 237 L C 1.370 178.030 176.870 -0.350 0.000 1.187 237 L CA 0.301 54.945 54.840 -0.326 0.000 0.895 237 L CB 0.606 42.422 42.059 -0.406 0.000 1.147 237 L HN 0.552 nan 8.230 nan 0.000 0.483 238 R N 4.063 124.455 120.500 -0.180 0.000 3.266 238 R HA 0.272 4.612 4.340 -0.000 0.000 0.224 238 R C -1.125 175.166 176.300 -0.015 0.000 1.525 238 R CA -0.203 55.876 56.100 -0.035 0.000 1.364 238 R CB -0.540 29.788 30.300 0.047 0.000 1.276 238 R HN 0.869 nan 8.270 nan 0.000 0.660 239 H N -1.102 118.005 119.070 0.061 0.000 3.003 239 H HA 0.335 4.891 4.556 -0.000 0.000 0.327 239 H C -1.330 174.010 175.328 0.020 0.000 1.353 239 H CA -1.216 54.850 56.048 0.030 0.000 1.142 239 H CB 0.403 30.183 29.762 0.029 0.000 1.864 239 H HN 0.013 nan 8.280 nan 0.000 0.529 240 K N 0.859 121.397 120.400 0.230 0.000 2.180 240 K HA 0.283 4.602 4.320 -0.000 0.000 0.251 240 K C -0.030 176.704 176.600 0.223 0.000 1.014 240 K CA -0.732 55.640 56.287 0.141 0.000 0.913 240 K CB 0.674 33.212 32.500 0.064 0.000 1.008 240 K HN 0.485 nan 8.250 nan 0.000 0.490 241 R N 0.841 121.415 120.500 0.124 0.000 2.522 241 R HA 0.032 4.372 4.340 -0.000 0.000 0.284 241 R C -0.190 176.163 176.300 0.088 0.000 1.032 241 R CA -0.259 55.913 56.100 0.121 0.000 1.049 241 R CB 0.208 30.534 30.300 0.043 0.000 0.956 241 R HN 0.249 nan 8.270 nan 0.000 0.422 242 V N 4.306 124.293 119.914 0.122 0.000 2.649 242 V HA 0.144 4.264 4.120 -0.000 0.000 0.292 242 V C 1.243 177.390 176.094 0.089 0.000 1.055 242 V CA 0.176 62.529 62.300 0.088 0.000 1.023 242 V CB 1.385 33.269 31.823 0.101 0.000 0.992 242 V HN 0.840 nan 8.190 nan 0.000 0.480 243 R N 1.889 122.415 120.500 0.044 0.000 2.555 243 R HA 0.235 4.574 4.340 -0.000 0.000 0.312 243 R C 1.073 177.401 176.300 0.045 0.000 0.938 243 R CA 0.297 56.382 56.100 -0.025 0.000 1.112 243 R CB 0.967 31.209 30.300 -0.096 0.000 1.535 243 R HN 0.825 nan 8.270 nan 0.000 0.525 244 G N 1.301 110.145 108.800 0.073 0.000 2.529 244 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.234 244 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.234 244 G C 0.567 175.533 174.900 0.110 0.000 1.527 244 G CA -0.231 44.912 45.100 0.070 0.000 1.062 244 G HN 0.015 nan 8.290 nan 0.000 0.558 245 K N -0.214 120.237 120.400 0.085 0.000 2.209 245 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 245 K C 2.003 178.667 176.600 0.107 0.000 1.048 245 K CA 1.341 57.682 56.287 0.089 0.000 0.940 245 K CB -0.079 32.458 32.500 0.061 0.000 0.729 245 K HN 0.272 nan 8.250 nan 0.000 0.451 246 D N 0.237 120.699 120.400 0.102 0.000 2.123 246 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 246 D C 1.627 178.004 176.300 0.128 0.000 0.992 246 D CA 1.079 55.136 54.000 0.096 0.000 0.833 246 D CB -0.260 40.586 40.800 0.075 0.000 0.954 246 D HN 0.244 nan 8.370 nan 0.000 0.455 247 Y N 1.457 121.792 120.300 0.058 0.000 2.200 247 Y HA -0.156 4.394 4.550 -0.000 0.000 0.290 247 Y C 1.535 177.497 175.900 0.104 0.000 1.137 247 Y CA 1.424 59.572 58.100 0.080 0.000 1.163 247 Y CB 0.037 38.545 38.460 0.079 0.000 0.988 247 Y HN -0.174 nan 8.280 nan 0.000 0.518 248 D N -0.837 119.722 120.400 0.265 0.000 2.219 248 D HA -0.134 4.506 4.640 -0.000 0.000 0.205 248 D C 2.030 178.400 176.300 0.117 0.000 0.970 248 D CA 1.697 55.813 54.000 0.192 0.000 0.851 248 D CB -0.307 40.598 40.800 0.176 0.000 0.943 248 D HN 0.369 nan 8.370 nan 0.000 0.488 249 T N 0.928 115.536 114.554 0.090 0.000 2.812 249 T HA -0.073 4.277 4.350 -0.000 0.000 0.264 249 T C 1.901 176.636 174.700 0.058 0.000 1.042 249 T CA 0.263 62.410 62.100 0.078 0.000 1.140 249 T CB -0.179 68.728 68.868 0.066 0.000 0.870 249 T HN 0.043 nan 8.240 nan 0.000 0.445 250 L N 1.140 122.365 121.223 0.004 0.000 2.046 250 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 250 L C 2.058 178.933 176.870 0.008 0.000 1.077 250 L CA 1.558 56.385 54.840 -0.022 0.000 0.747 250 L CB -0.687 41.306 42.059 -0.111 0.000 0.896 250 L HN 0.155 nan 8.230 nan 0.000 0.432 251 L N -0.575 120.628 121.223 -0.033 0.000 2.093 251 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 251 L C 2.281 179.291 176.870 0.232 0.000 1.085 251 L CA 1.590 56.502 54.840 0.120 0.000 0.755 251 L CB -1.509 40.662 42.059 0.186 0.000 0.904 251 L HN 0.361 nan 8.230 nan 0.000 0.435 252 D N -0.205 120.331 120.400 0.228 0.000 2.097 252 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 252 D C 1.876 178.242 176.300 0.110 0.000 0.984 252 D CA 0.878 55.009 54.000 0.219 0.000 0.826 252 D CB -0.119 40.810 40.800 0.215 0.000 0.973 252 D HN 0.227 nan 8.370 nan 0.000 0.460 253 N N 0.150 118.912 118.700 0.102 0.000 2.223 253 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 253 N C 1.593 177.141 175.510 0.063 0.000 1.016 253 N CA 0.296 53.390 53.050 0.073 0.000 0.863 253 N CB -0.430 38.101 38.487 0.074 0.000 0.983 253 N HN 0.180 nan 8.380 nan 0.000 0.429 254 F N 1.624 121.531 119.950 -0.072 0.000 2.084 254 F HA -0.091 4.436 4.527 -0.000 0.000 0.296 254 F C 2.129 177.813 175.800 -0.194 0.000 1.111 254 F CA 1.221 59.152 58.000 -0.116 0.000 1.224 254 F CB -0.224 38.702 39.000 -0.124 0.000 0.991 254 F HN -0.121 nan 8.300 nan 0.000 0.471 255 M N 0.525 119.905 119.600 -0.366 0.000 2.149 255 M HA -0.203 4.277 4.480 -0.000 0.000 0.261 255 M C 2.012 177.965 176.300 -0.578 0.000 1.064 255 M CA 1.590 56.425 55.300 -0.775 0.000 1.102 255 M CB -1.367 30.491 32.600 -1.237 0.000 1.369 255 M HN 0.183 nan 8.290 nan 0.000 0.408 256 K N 0.199 120.453 120.400 -0.242 0.000 1.984 256 K HA -0.048 4.272 4.320 -0.000 0.000 0.209 256 K C 2.201 178.740 176.600 -0.103 0.000 1.046 256 K CA 1.519 57.767 56.287 -0.064 0.000 0.934 256 K CB -0.355 32.157 32.500 0.020 0.000 0.717 256 K HN 0.290 nan 8.250 nan 0.000 0.438 257 A N 1.212 123.960 122.820 -0.119 0.000 1.892 257 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 257 A C 2.471 179.944 177.584 -0.186 0.000 1.188 257 A CA 1.823 53.816 52.037 -0.073 0.000 0.631 257 A CB -1.198 17.779 19.000 -0.038 0.000 0.822 257 A HN 0.471 nan 8.150 nan 0.000 0.447 258 C N -0.501 118.569 119.300 -0.385 0.000 2.413 258 C HA -0.111 4.349 4.460 -0.000 0.000 0.276 258 C C 3.228 178.103 174.990 -0.191 0.000 1.248 258 C CA 1.728 60.526 59.018 -0.366 0.000 1.742 258 C CB -1.541 25.846 27.740 -0.589 0.000 2.017 258 C HN 0.810 nan 8.230 nan 0.000 0.481 259 T N -0.694 113.758 114.554 -0.169 0.000 2.942 259 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 259 T C 1.754 176.447 174.700 -0.011 0.000 1.062 259 T CA 1.335 63.410 62.100 -0.041 0.000 1.139 259 T CB -0.297 68.603 68.868 0.053 0.000 0.883 259 T HN 0.620 nan 8.240 nan 0.000 0.468 260 K N 1.189 121.581 120.400 -0.014 0.000 2.097 260 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 260 K C 2.368 179.012 176.600 0.074 0.000 1.050 260 K CA 1.299 57.605 56.287 0.031 0.000 0.938 260 K CB -0.058 32.461 32.500 0.032 0.000 0.718 260 K HN 0.280 nan 8.250 nan 0.000 0.442 261 K N -0.239 120.143 120.400 -0.031 0.000 2.044 261 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 261 K C 1.320 177.684 176.600 -0.393 0.000 1.045 261 K CA 1.530 57.636 56.287 -0.301 0.000 0.951 261 K CB -0.135 31.823 32.500 -0.904 0.000 0.738 261 K HN 0.235 nan 8.250 nan 0.000 0.443 262 Y N -0.489 119.777 120.300 -0.057 0.000 2.449 262 Y HA 0.359 4.909 4.550 -0.000 0.000 0.254 262 Y C 0.513 176.386 175.900 -0.044 0.000 1.140 262 Y CA -0.148 57.917 58.100 -0.058 0.000 1.272 262 Y CB 1.226 39.629 38.460 -0.095 0.000 1.114 262 Y HN 0.249 nan 8.280 nan 0.000 0.525 263 G N 0.880 109.728 108.800 0.079 0.000 2.640 263 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.686 263 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.686 263 G C -0.215 174.711 174.900 0.044 0.000 1.229 263 G CA -0.362 44.768 45.100 0.051 0.000 0.796 263 G HN 0.067 nan 8.290 nan 0.000 0.654 264 Q N 0.750 120.575 119.800 0.041 0.000 2.297 264 Q HA -0.116 4.224 4.340 -0.000 0.000 0.208 264 Q C 2.329 178.352 176.000 0.039 0.000 0.981 264 Q CA 2.405 58.245 55.803 0.060 0.000 0.876 264 Q CB 0.015 28.777 28.738 0.041 0.000 0.921 264 Q HN 0.706 nan 8.270 nan 0.000 0.446 265 K N -0.260 120.143 120.400 0.005 0.000 2.525 265 K HA 0.025 4.345 4.320 -0.000 0.000 0.192 265 K C -0.405 176.185 176.600 -0.017 0.000 1.029 265 K CA 0.381 56.656 56.287 -0.019 0.000 1.029 265 K CB -0.604 31.872 32.500 -0.040 0.000 0.814 265 K HN 0.037 nan 8.250 nan 0.000 0.503 266 T N 3.167 117.720 114.554 -0.003 0.000 2.871 266 T HA 0.032 4.382 4.350 -0.000 0.000 0.296 266 T C -0.055 174.650 174.700 0.010 0.000 0.998 266 T CA -0.278 61.812 62.100 -0.017 0.000 1.162 266 T CB 0.394 69.258 68.868 -0.006 0.000 0.947 266 T HN 0.235 nan 8.240 nan 0.000 0.536 267 L N 6.100 127.338 121.223 0.025 0.000 2.281 267 L HA 0.490 4.830 4.340 -0.000 0.000 0.285 267 L C -0.703 176.217 176.870 0.082 0.000 1.074 267 L CA -0.003 54.900 54.840 0.105 0.000 0.817 267 L CB -0.091 42.075 42.059 0.178 0.000 1.168 267 L HN 0.559 nan 8.230 nan 0.000 0.434 268 I N 5.495 126.128 120.570 0.105 0.000 2.382 268 I HA 0.372 4.542 4.170 -0.000 0.000 0.286 268 I C -0.373 175.839 176.117 0.158 0.000 1.002 268 I CA -0.472 60.878 61.300 0.084 0.000 1.135 268 I CB 1.425 39.467 38.000 0.069 0.000 1.288 268 I HN 0.589 nan 8.210 nan 0.000 0.448 269 Q N 5.973 125.791 119.800 0.029 0.000 2.316 269 Q HA 0.450 4.790 4.340 -0.000 0.000 0.264 269 Q C -1.615 174.405 176.000 0.033 0.000 0.987 269 Q CA -0.734 55.007 55.803 -0.103 0.000 0.852 269 Q CB 1.911 30.420 28.738 -0.382 0.000 1.287 269 Q HN 0.407 nan 8.270 nan 0.000 0.448 270 F N 2.330 122.191 119.950 -0.150 0.000 2.404 270 F HA 0.314 4.841 4.527 -0.000 0.000 0.345 270 F C 0.432 176.292 175.800 0.100 0.000 1.110 270 F CA -0.489 57.522 58.000 0.018 0.000 1.130 270 F CB 1.241 40.117 39.000 -0.207 0.000 1.129 270 F HN 0.506 nan 8.300 nan 0.000 0.500 271 E N 1.422 121.836 120.200 0.358 0.000 2.272 271 E HA 0.363 4.713 4.350 -0.000 0.000 0.269 271 E C -1.073 175.655 176.600 0.214 0.000 0.877 271 E CA -0.472 56.060 56.400 0.220 0.000 0.755 271 E CB 1.029 30.761 29.700 0.054 0.000 1.192 271 E HN 0.491 nan 8.360 nan 0.000 0.422 272 D N 2.163 122.676 120.400 0.187 0.000 2.772 272 D HA -0.214 4.426 4.640 -0.000 0.000 0.233 272 D C -0.846 175.478 176.300 0.041 0.000 1.143 272 D CA 0.917 54.971 54.000 0.089 0.000 0.700 272 D CB -1.279 39.518 40.800 -0.005 0.000 1.076 272 D HN 0.239 nan 8.370 nan 0.000 0.430 273 F N 0.351 120.352 119.950 0.084 0.000 2.368 273 F HA 0.569 5.096 4.527 -0.000 0.000 0.315 273 F C 1.449 177.292 175.800 0.071 0.000 1.145 273 F CA -0.489 57.571 58.000 0.099 0.000 1.095 273 F CB 0.518 39.623 39.000 0.175 0.000 1.286 273 F HN -0.020 nan 8.300 nan 0.000 0.530 274 A N 1.970 124.930 122.820 0.233 0.000 2.477 274 A HA 0.115 4.435 4.320 -0.000 0.000 0.246 274 A C 1.251 178.922 177.584 0.144 0.000 1.078 274 A CA -0.502 51.611 52.037 0.127 0.000 0.770 274 A CB -0.136 18.906 19.000 0.069 0.000 1.011 274 A HN 0.832 nan 8.150 nan 0.000 0.494 275 N N 2.679 121.437 118.700 0.097 0.000 2.064 275 N HA -0.194 4.546 4.740 -0.000 0.000 0.200 275 N C -0.986 174.581 175.510 0.095 0.000 1.028 275 N CA 2.486 55.589 53.050 0.087 0.000 0.880 275 N CB -1.690 36.817 38.487 0.033 0.000 1.062 275 N HN 0.523 nan 8.380 nan 0.000 0.454 276 P HA -0.045 nan 4.420 nan 0.000 0.216 276 P C 1.174 178.533 177.300 0.098 0.000 1.153 276 P CA 1.115 64.250 63.100 0.059 0.000 0.848 276 P CB -0.069 31.640 31.700 0.014 0.000 0.787 277 N N -0.248 118.506 118.700 0.091 0.000 2.120 277 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 277 N C 1.615 177.185 175.510 0.100 0.000 1.024 277 N CA 1.607 54.716 53.050 0.098 0.000 0.852 277 N CB -0.892 37.671 38.487 0.127 0.000 1.003 277 N HN -0.068 nan 8.380 nan 0.000 0.424 278 A N -0.462 122.448 122.820 0.150 0.000 1.908 278 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 278 A C 2.193 179.787 177.584 0.017 0.000 1.181 278 A CA 1.176 53.264 52.037 0.085 0.000 0.627 278 A CB -1.149 17.970 19.000 0.197 0.000 0.818 278 A HN 0.437 nan 8.150 nan 0.000 0.445 279 F N 0.069 119.990 119.950 -0.048 0.000 2.146 279 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 279 F C 2.408 178.146 175.800 -0.102 0.000 1.096 279 F CA 1.713 59.670 58.000 -0.071 0.000 1.275 279 F CB -0.204 38.762 39.000 -0.056 0.000 1.008 279 F HN 0.127 nan 8.300 nan 0.000 0.480 280 R N 0.105 120.612 120.500 0.012 0.000 2.070 280 R HA -0.162 4.178 4.340 -0.000 0.000 0.233 280 R C 2.307 178.456 176.300 -0.252 0.000 1.137 280 R CA 1.915 57.962 56.100 -0.088 0.000 0.945 280 R CB -0.578 29.710 30.300 -0.019 0.000 0.845 280 R HN 0.338 nan 8.270 nan 0.000 0.430 281 L N 0.542 121.602 121.223 -0.270 0.000 2.042 281 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 281 L C 2.459 179.003 176.870 -0.543 0.000 1.076 281 L CA 0.695 55.264 54.840 -0.452 0.000 0.749 281 L CB -0.522 41.281 42.059 -0.426 0.000 0.893 281 L HN 0.271 nan 8.230 nan 0.000 0.432 282 L N 0.278 121.216 121.223 -0.474 0.000 2.046 282 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 282 L C 1.936 178.584 176.870 -0.369 0.000 1.077 282 L CA 2.129 56.722 54.840 -0.413 0.000 0.747 282 L CB -0.680 41.143 42.059 -0.393 0.000 0.896 282 L HN 0.224 nan 8.230 nan 0.000 0.432 283 D N -0.986 119.142 120.400 -0.452 0.000 2.178 283 D HA -0.242 4.398 4.640 -0.000 0.000 0.202 283 D C 2.238 178.379 176.300 -0.266 0.000 0.974 283 D CA 1.200 54.986 54.000 -0.356 0.000 0.841 283 D CB -0.020 40.564 40.800 -0.359 0.000 0.953 283 D HN 0.389 nan 8.370 nan 0.000 0.478 284 K N -1.219 118.970 120.400 -0.351 0.000 2.167 284 K HA -0.087 4.233 4.320 -0.000 0.000 0.203 284 K C 1.190 177.632 176.600 -0.264 0.000 1.052 284 K CA 0.901 56.960 56.287 -0.380 0.000 0.956 284 K CB 0.031 32.165 32.500 -0.609 0.000 0.735 284 K HN 0.359 nan 8.250 nan 0.000 0.451 285 Y N -0.300 119.949 120.300 -0.085 0.000 2.507 285 Y HA 0.042 4.592 4.550 -0.000 0.000 0.263 285 Y C 2.369 178.288 175.900 0.033 0.000 1.093 285 Y CA -0.252 57.865 58.100 0.028 0.000 1.285 285 Y CB 0.251 38.727 38.460 0.028 0.000 1.115 285 Y HN 0.134 nan 8.280 nan 0.000 0.533 286 Q N 1.158 121.011 119.800 0.089 0.000 2.103 286 Q HA -0.285 4.055 4.340 -0.000 0.000 0.213 286 Q C 0.623 176.653 176.000 0.050 0.000 1.008 286 Q CA 2.435 58.286 55.803 0.081 0.000 0.879 286 Q CB -0.092 28.640 28.738 -0.010 0.000 0.946 286 Q HN 0.425 nan 8.270 nan 0.000 0.413 287 D N -1.263 119.070 120.400 -0.111 0.000 2.349 287 D HA 0.040 4.680 4.640 -0.000 0.000 0.214 287 D C 0.967 176.974 176.300 -0.487 0.000 1.063 287 D CA 0.373 54.106 54.000 -0.445 0.000 0.847 287 D CB 0.331 40.947 40.800 -0.306 0.000 0.933 287 D HN 0.325 nan 8.370 nan 0.000 0.513 288 K N -0.727 119.613 120.400 -0.101 0.000 2.313 288 K HA 0.104 4.424 4.320 -0.000 0.000 0.197 288 K C 0.170 176.673 176.600 -0.162 0.000 1.061 288 K CA 0.422 56.618 56.287 -0.153 0.000 0.980 288 K CB 0.948 33.304 32.500 -0.239 0.000 0.888 288 K HN 0.047 nan 8.250 nan 0.000 0.502 289 Y N -0.252 120.231 120.300 0.306 0.000 2.698 289 Y HA 0.220 4.770 4.550 -0.000 0.000 0.332 289 Y C 0.022 176.036 175.900 0.190 0.000 1.119 289 Y CA -1.208 57.000 58.100 0.181 0.000 1.109 289 Y CB 1.566 40.054 38.460 0.048 0.000 1.308 289 Y HN -0.346 nan 8.280 nan 0.000 0.499 290 T N 3.965 118.673 114.554 0.257 0.000 3.414 290 T HA 0.281 4.631 4.350 -0.000 0.000 0.304 290 T C -0.463 174.392 174.700 0.259 0.000 1.241 290 T CA -0.039 62.162 62.100 0.168 0.000 1.076 290 T CB -0.670 68.242 68.868 0.074 0.000 1.134 290 T HN 0.323 nan 8.240 nan 0.000 0.759 291 M N 3.943 123.741 119.600 0.329 0.000 2.593 291 M HA 0.759 5.239 4.480 -0.000 0.000 0.290 291 M C -2.048 174.519 176.300 0.446 0.000 1.244 291 M CA -1.201 54.303 55.300 0.340 0.000 0.857 291 M CB 2.437 35.189 32.600 0.254 0.000 1.738 291 M HN 0.447 nan 8.290 nan 0.000 0.461 292 F N 1.054 121.137 119.950 0.221 0.000 2.719 292 F HA 0.543 5.070 4.527 -0.000 0.000 0.309 292 F C -1.983 173.940 175.800 0.205 0.000 1.138 292 F CA -0.905 57.230 58.000 0.225 0.000 0.943 292 F CB 1.122 40.375 39.000 0.421 0.000 1.304 292 F HN 0.612 nan 8.300 nan 0.000 0.445 293 N N 2.091 120.928 118.700 0.229 0.000 2.479 293 N HA 0.163 4.903 4.740 -0.000 0.000 0.261 293 N C -0.219 175.419 175.510 0.213 0.000 0.979 293 N CA -0.133 52.972 53.050 0.092 0.000 0.930 293 N CB 1.686 40.206 38.487 0.055 0.000 1.172 293 N HN 0.997 nan 8.380 nan 0.000 0.499 294 D N 2.514 123.004 120.400 0.151 0.000 2.144 294 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 294 D C 0.757 177.182 176.300 0.208 0.000 0.984 294 D CA 1.422 55.600 54.000 0.296 0.000 0.834 294 D CB 0.405 41.304 40.800 0.164 0.000 0.955 294 D HN 0.517 nan 8.370 nan 0.000 0.465 295 D N -0.307 120.188 120.400 0.159 0.000 2.149 295 D HA -0.136 4.504 4.640 -0.000 0.000 0.198 295 D C 2.135 178.510 176.300 0.124 0.000 0.990 295 D CA 0.840 54.926 54.000 0.145 0.000 0.839 295 D CB 0.069 40.957 40.800 0.146 0.000 0.948 295 D HN 0.419 nan 8.370 nan 0.000 0.460 296 I N 0.440 121.078 120.570 0.113 0.000 2.405 296 I HA -0.175 3.995 4.170 -0.000 0.000 0.236 296 I C 2.437 178.553 176.117 -0.001 0.000 1.071 296 I CA 0.551 61.902 61.300 0.086 0.000 1.398 296 I CB -0.261 37.809 38.000 0.117 0.000 1.162 296 I HN -0.175 nan 8.210 nan 0.000 0.432 297 Q N 0.872 120.607 119.800 -0.109 0.000 2.172 297 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 297 Q C 2.229 177.998 176.000 -0.385 0.000 0.964 297 Q CA 1.427 56.943 55.803 -0.479 0.000 0.855 297 Q CB -0.300 27.808 28.738 -1.049 0.000 0.918 297 Q HN 0.626 nan 8.270 nan 0.000 0.444 298 G N 0.266 109.070 108.800 0.006 0.000 2.394 298 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 298 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 298 G C 1.379 176.393 174.900 0.189 0.000 1.165 298 G CA 1.178 46.418 45.100 0.234 0.000 0.784 298 G HN 0.229 nan 8.290 nan 0.000 0.535 299 T N 1.910 116.554 114.554 0.149 0.000 2.643 299 T HA -0.012 4.338 4.350 -0.000 0.000 0.264 299 T C 2.855 177.632 174.700 0.129 0.000 1.045 299 T CA 1.671 63.858 62.100 0.146 0.000 1.155 299 T CB -0.566 68.378 68.868 0.126 0.000 0.863 299 T HN 0.350 nan 8.240 nan 0.000 0.420 300 A N 1.201 124.065 122.820 0.074 0.000 1.927 300 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 300 A C 2.575 180.212 177.584 0.088 0.000 1.185 300 A CA 2.490 54.565 52.037 0.062 0.000 0.639 300 A CB -1.231 17.767 19.000 -0.004 0.000 0.820 300 A HN 0.469 nan 8.150 nan 0.000 0.451 301 S N -1.222 114.526 115.700 0.080 0.000 2.356 301 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 301 S C 1.948 176.661 174.600 0.188 0.000 1.032 301 S CA 1.638 59.924 58.200 0.143 0.000 1.005 301 S CB -0.553 62.782 63.200 0.226 0.000 0.867 301 S HN 0.511 nan 8.310 nan 0.000 0.449 302 V N 1.841 121.883 119.914 0.214 0.000 2.515 302 V HA -0.059 4.061 4.120 -0.000 0.000 0.250 302 V C 2.071 178.360 176.094 0.325 0.000 1.058 302 V CA 1.403 63.854 62.300 0.252 0.000 1.064 302 V CB -0.510 31.445 31.823 0.220 0.000 0.675 302 V HN 0.503 nan 8.190 nan 0.000 0.461 303 I N -0.312 120.433 120.570 0.292 0.000 2.286 303 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 303 I C 2.526 178.830 176.117 0.312 0.000 1.104 303 I CA 1.407 62.938 61.300 0.384 0.000 1.397 303 I CB -1.338 36.866 38.000 0.340 0.000 1.072 303 I HN 0.174 nan 8.210 nan 0.000 0.417 304 V N 1.544 121.574 119.914 0.194 0.000 2.469 304 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 304 V C 2.808 178.975 176.094 0.122 0.000 1.064 304 V CA 1.682 64.051 62.300 0.116 0.000 1.066 304 V CB -1.158 30.718 31.823 0.088 0.000 0.667 304 V HN 0.448 nan 8.190 nan 0.000 0.461 305 A N 0.498 123.415 122.820 0.163 0.000 1.898 305 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 305 A C 2.433 180.026 177.584 0.016 0.000 1.181 305 A CA 1.830 53.936 52.037 0.115 0.000 0.620 305 A CB -1.127 17.977 19.000 0.173 0.000 0.819 305 A HN 0.514 nan 8.150 nan 0.000 0.442 306 G N -0.118 108.716 108.800 0.057 0.000 2.418 306 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 306 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 306 G C 1.555 176.494 174.900 0.065 0.000 1.158 306 G CA 1.024 45.991 45.100 -0.222 0.000 0.771 306 G HN 0.428 nan 8.290 nan 0.000 0.545 307 L N -0.099 121.204 121.223 0.134 0.000 2.046 307 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 307 L C 2.925 179.826 176.870 0.051 0.000 1.077 307 L CA 0.533 55.399 54.840 0.043 0.000 0.747 307 L CB -0.498 41.559 42.059 -0.002 0.000 0.896 307 L HN 0.171 nan 8.230 nan 0.000 0.432 308 L N -0.611 120.639 121.223 0.045 0.000 2.012 308 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 308 L C 2.671 179.550 176.870 0.015 0.000 1.073 308 L CA 1.703 56.566 54.840 0.038 0.000 0.748 308 L CB -0.917 41.163 42.059 0.035 0.000 0.891 308 L HN 0.296 nan 8.230 nan 0.000 0.431 309 T N -1.287 113.254 114.554 -0.023 0.000 2.746 309 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 309 T C 2.021 176.717 174.700 -0.007 0.000 1.039 309 T CA 1.546 63.621 62.100 -0.041 0.000 1.142 309 T CB -0.475 68.317 68.868 -0.127 0.000 0.866 309 T HN 0.397 nan 8.240 nan 0.000 0.444 310 C N 1.509 120.818 119.300 0.014 0.000 2.403 310 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 310 C C 3.032 178.041 174.990 0.032 0.000 1.248 310 C CA 1.158 60.201 59.018 0.041 0.000 1.762 310 C CB -1.533 26.237 27.740 0.050 0.000 2.014 310 C HN 0.601 nan 8.230 nan 0.000 0.486 311 T N 0.388 114.961 114.554 0.032 0.000 2.649 311 T HA -0.248 4.101 4.350 -0.000 0.000 0.268 311 T C 1.726 176.441 174.700 0.024 0.000 1.036 311 T CA 1.536 63.654 62.100 0.031 0.000 1.157 311 T CB -0.342 68.550 68.868 0.040 0.000 0.861 311 T HN 0.595 nan 8.240 nan 0.000 0.445 312 R N 0.133 120.646 120.500 0.022 0.000 2.397 312 R HA 0.009 4.349 4.340 -0.000 0.000 0.213 312 R C 1.732 178.045 176.300 0.022 0.000 1.102 312 R CA 0.488 56.599 56.100 0.019 0.000 1.040 312 R CB -0.075 30.233 30.300 0.014 0.000 0.844 312 R HN 0.317 nan 8.270 nan 0.000 0.478 313 V N -1.598 118.332 119.914 0.027 0.000 3.090 313 V HA -0.074 4.046 4.120 -0.000 0.000 0.237 313 V C 1.994 178.104 176.094 0.027 0.000 1.209 313 V CA 1.312 63.632 62.300 0.033 0.000 1.209 313 V CB 0.596 32.448 31.823 0.050 0.000 0.971 313 V HN 0.353 nan 8.190 nan 0.000 0.477 314 T N -2.737 111.829 114.554 0.021 0.000 3.118 314 T HA -0.051 4.299 4.350 -0.000 0.000 0.260 314 T C 1.055 175.758 174.700 0.004 0.000 1.139 314 T CA 0.378 62.482 62.100 0.007 0.000 1.085 314 T CB -0.192 68.669 68.868 -0.011 0.000 0.934 314 T HN 0.303 nan 8.240 nan 0.000 0.518 315 K N 0.239 120.645 120.400 0.010 0.000 3.193 315 K HA -0.150 4.170 4.320 -0.000 0.000 0.294 315 K C -0.496 176.108 176.600 0.007 0.000 1.185 315 K CA 1.042 57.335 56.287 0.010 0.000 0.866 315 K CB -1.920 30.585 32.500 0.009 0.000 1.227 315 K HN 0.596 nan 8.250 nan 0.000 0.467 316 K N 0.670 121.072 120.400 0.004 0.000 2.413 316 K HA 0.336 4.656 4.320 -0.000 0.000 0.257 316 K C 0.070 176.680 176.600 0.017 0.000 0.946 316 K CA -1.048 55.239 56.287 0.001 0.000 0.823 316 K CB 1.272 33.757 32.500 -0.024 0.000 1.109 316 K HN -0.192 nan 8.250 nan 0.000 0.427 317 L N 2.135 123.375 121.223 0.030 0.000 2.479 317 L HA -0.053 4.287 4.340 -0.000 0.000 0.270 317 L C 1.779 178.699 176.870 0.083 0.000 1.236 317 L CA 0.594 55.465 54.840 0.052 0.000 0.823 317 L CB 0.376 42.465 42.059 0.050 0.000 1.098 317 L HN 0.494 nan 8.230 nan 0.000 0.500 318 V N 0.387 120.375 119.914 0.122 0.000 2.469 318 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 318 V C 1.973 178.195 176.094 0.214 0.000 1.064 318 V CA 1.975 64.404 62.300 0.215 0.000 1.066 318 V CB -0.733 31.194 31.823 0.174 0.000 0.667 318 V HN 1.017 nan 8.190 nan 0.000 0.461 319 S N -0.927 114.852 115.700 0.132 0.000 2.603 319 S HA -0.004 4.466 4.470 -0.000 0.000 0.220 319 S C 1.341 175.989 174.600 0.080 0.000 0.967 319 S CA 0.275 58.541 58.200 0.109 0.000 0.920 319 S CB -0.092 63.154 63.200 0.077 0.000 0.773 319 S HN 0.729 nan 8.310 nan 0.000 0.529 320 Q N 0.171 120.010 119.800 0.064 0.000 2.155 320 Q HA 0.392 4.732 4.340 -0.000 0.000 0.220 320 Q C -0.410 175.584 176.000 -0.010 0.000 0.819 320 Q CA -0.082 55.737 55.803 0.028 0.000 1.032 320 Q CB 0.670 29.420 28.738 0.020 0.000 1.151 320 Q HN 0.465 nan 8.270 nan 0.000 0.487 321 E N 0.864 121.050 120.200 -0.024 0.000 2.320 321 E HA 0.381 4.731 4.350 -0.000 0.000 0.264 321 E C -1.339 175.119 176.600 -0.237 0.000 0.923 321 E CA -0.590 55.691 56.400 -0.197 0.000 0.796 321 E CB 1.231 30.706 29.700 -0.375 0.000 1.262 321 E HN -0.146 nan 8.360 nan 0.000 0.428 322 K N 1.903 122.090 120.400 -0.355 0.000 2.345 322 K HA 0.422 4.742 4.320 -0.000 0.000 0.255 322 K C -1.324 175.072 176.600 -0.341 0.000 0.934 322 K CA -0.652 55.549 56.287 -0.144 0.000 0.801 322 K CB 1.384 33.899 32.500 0.024 0.000 1.137 322 K HN 0.382 nan 8.250 nan 0.000 0.424 323 Y N 1.801 122.189 120.300 0.147 0.000 2.393 323 Y HA 0.450 5.000 4.550 -0.000 0.000 0.341 323 Y C -0.580 175.410 175.900 0.150 0.000 0.988 323 Y CA -1.219 56.907 58.100 0.043 0.000 1.078 323 Y CB 1.451 39.909 38.460 -0.004 0.000 1.203 323 Y HN 0.336 nan 8.280 nan 0.000 0.453 324 L N 4.278 125.566 121.223 0.108 0.000 2.325 324 L HA 0.613 4.953 4.340 -0.000 0.000 0.281 324 L C -1.870 175.034 176.870 0.057 0.000 1.004 324 L CA -0.851 54.088 54.840 0.165 0.000 0.823 324 L CB 0.207 42.293 42.059 0.044 0.000 1.236 324 L HN 0.398 nan 8.230 nan 0.000 0.415 325 F N 5.411 125.477 119.950 0.193 0.000 2.404 325 F HA 0.359 4.886 4.527 -0.000 0.000 0.354 325 F C -0.284 175.667 175.800 0.251 0.000 1.122 325 F CA -0.270 57.844 58.000 0.190 0.000 1.080 325 F CB 1.225 40.269 39.000 0.073 0.000 1.131 325 F HN 0.372 nan 8.300 nan 0.000 0.471 326 F N 3.543 123.687 119.950 0.324 0.000 2.377 326 F HA 0.645 5.172 4.527 -0.000 0.000 0.360 326 F C 0.288 176.207 175.800 0.198 0.000 1.147 326 F CA -0.600 57.563 58.000 0.272 0.000 1.170 326 F CB -0.000 39.245 39.000 0.408 0.000 1.339 326 F HN 0.615 nan 8.300 nan 0.000 0.552 327 G N 3.832 112.514 108.800 -0.196 0.000 2.742 327 G HA2 0.430 4.390 3.960 -0.000 0.000 0.686 327 G HA3 0.430 4.390 3.960 -0.000 0.000 0.686 327 G C -1.011 173.859 174.900 -0.050 0.000 1.220 327 G CA -0.463 44.521 45.100 -0.193 0.000 0.783 327 G HN 1.418 nan 8.290 nan 0.000 0.646 328 A N 0.983 123.758 122.820 -0.076 0.000 2.806 328 A HA 0.814 5.134 4.320 -0.000 0.000 0.266 328 A C 1.164 178.768 177.584 0.034 0.000 0.926 328 A CA 1.027 53.030 52.037 -0.057 0.000 1.068 328 A CB -0.097 18.782 19.000 -0.200 0.000 1.189 328 A HN 2.166 nan 8.150 nan 0.000 0.481 329 G N -0.272 108.516 108.800 -0.019 0.000 2.928 329 G HA2 0.433 4.393 3.960 -0.000 0.000 0.163 329 G HA3 0.433 4.393 3.960 -0.000 0.000 0.163 329 G C 1.369 176.223 174.900 -0.077 0.000 1.573 329 G CA 0.536 45.613 45.100 -0.039 0.000 1.084 329 G HN 0.750 nan 8.290 nan 0.000 0.569 330 A N -0.382 122.398 122.820 -0.065 0.000 1.855 330 A HA 0.261 4.581 4.320 -0.000 0.000 0.215 330 A C 2.773 180.330 177.584 -0.045 0.000 1.191 330 A CA 2.649 54.643 52.037 -0.071 0.000 0.613 330 A CB -1.181 17.808 19.000 -0.018 0.000 0.829 330 A HN 1.165 nan 8.150 nan 0.000 0.442 331 A N -0.408 122.412 122.820 -0.000 0.000 1.841 331 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 331 A C 2.479 180.070 177.584 0.011 0.000 1.199 331 A CA 2.421 54.480 52.037 0.036 0.000 0.621 331 A CB -1.252 17.794 19.000 0.076 0.000 0.835 331 A HN 0.465 nan 8.150 nan 0.000 0.445 332 S N -0.559 115.142 115.700 0.002 0.000 2.365 332 S HA -0.166 4.303 4.470 -0.000 0.000 0.225 332 S C 2.076 176.415 174.600 -0.436 0.000 1.039 332 S CA 1.957 60.091 58.200 -0.111 0.000 1.033 332 S CB -0.711 62.463 63.200 -0.044 0.000 0.887 332 S HN 0.729 nan 8.310 nan 0.000 0.447 333 T N 1.370 115.739 114.554 -0.308 0.000 2.708 333 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 333 T C 2.042 176.569 174.700 -0.289 0.000 1.037 333 T CA 1.357 63.242 62.100 -0.358 0.000 1.146 333 T CB -0.900 67.811 68.868 -0.261 0.000 0.865 333 T HN 0.551 nan 8.240 nan 0.000 0.435 334 G N 1.376 110.078 108.800 -0.163 0.000 2.421 334 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 334 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 334 G C 1.538 176.403 174.900 -0.059 0.000 1.171 334 G CA 0.596 45.659 45.100 -0.061 0.000 0.775 334 G HN 0.500 nan 8.290 nan 0.000 0.543 335 I N 1.440 121.973 120.570 -0.062 0.000 2.179 335 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 335 I C 3.334 179.420 176.117 -0.052 0.000 1.088 335 I CA 1.038 62.348 61.300 0.018 0.000 1.357 335 I CB -0.381 37.739 38.000 0.199 0.000 1.051 335 I HN 0.246 nan 8.210 nan 0.000 0.409 336 A N 0.797 123.409 122.820 -0.346 0.000 1.883 336 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 336 A C 2.211 179.751 177.584 -0.074 0.000 1.186 336 A CA 1.982 53.773 52.037 -0.410 0.000 0.624 336 A CB -0.713 17.634 19.000 -1.088 0.000 0.822 336 A HN 0.483 nan 8.150 nan 0.000 0.444 337 E N -0.942 119.236 120.200 -0.035 0.000 2.085 337 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 337 E C 2.073 178.763 176.600 0.150 0.000 0.994 337 E CA 1.287 57.792 56.400 0.176 0.000 0.801 337 E CB -0.246 29.542 29.700 0.148 0.000 0.743 337 E HN 0.468 nan 8.360 nan 0.000 0.453 338 M N 0.284 119.932 119.600 0.080 0.000 2.213 338 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 338 M C 2.246 178.609 176.300 0.104 0.000 1.062 338 M CA 1.225 56.574 55.300 0.081 0.000 1.105 338 M CB -0.379 32.243 32.600 0.037 0.000 1.385 338 M HN 0.184 nan 8.290 nan 0.000 0.417 339 I N -0.833 119.779 120.570 0.070 0.000 2.315 339 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 339 I C 2.247 178.429 176.117 0.108 0.000 1.117 339 I CA 0.659 61.981 61.300 0.037 0.000 1.404 339 I CB -0.246 37.702 38.000 -0.087 0.000 1.071 339 I HN 0.007 nan 8.210 nan 0.000 0.419 340 V N 0.367 120.376 119.914 0.160 0.000 2.295 340 V HA -0.346 3.774 4.120 -0.000 0.000 0.246 340 V C 2.426 178.597 176.094 0.130 0.000 1.049 340 V CA 2.270 64.663 62.300 0.154 0.000 1.024 340 V CB -0.855 31.073 31.823 0.176 0.000 0.648 340 V HN 0.467 nan 8.190 nan 0.000 0.447 341 H N -0.196 118.917 119.070 0.073 0.000 2.290 341 H HA -0.248 4.308 4.556 -0.000 0.000 0.298 341 H C 2.377 177.740 175.328 0.058 0.000 1.087 341 H CA 2.260 58.345 56.048 0.061 0.000 1.291 341 H CB 0.072 29.873 29.762 0.065 0.000 1.369 341 H HN 0.361 nan 8.280 nan 0.000 0.492 342 Q N 0.285 120.232 119.800 0.245 0.000 2.181 342 Q HA -0.153 4.187 4.340 -0.000 0.000 0.205 342 Q C 2.136 178.204 176.000 0.113 0.000 0.980 342 Q CA 1.942 57.845 55.803 0.166 0.000 0.862 342 Q CB -0.201 28.608 28.738 0.119 0.000 0.905 342 Q HN 0.607 nan 8.270 nan 0.000 0.429 343 M N -0.675 118.986 119.600 0.101 0.000 2.200 343 M HA -0.141 4.339 4.480 -0.000 0.000 0.265 343 M C 2.136 178.465 176.300 0.048 0.000 1.066 343 M CA 1.418 56.768 55.300 0.083 0.000 1.127 343 M CB -0.171 32.488 32.600 0.098 0.000 1.379 343 M HN 0.253 nan 8.290 nan 0.000 0.420 344 Q N 0.369 120.179 119.800 0.017 0.000 2.050 344 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 344 Q C 1.514 177.507 176.000 -0.011 0.000 0.980 344 Q CA 1.053 56.840 55.803 -0.026 0.000 0.840 344 Q CB -0.399 28.277 28.738 -0.104 0.000 0.898 344 Q HN 0.501 nan 8.270 nan 0.000 0.424 345 N N 0.937 119.642 118.700 0.008 0.000 2.585 345 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 345 N C 0.724 176.265 175.510 0.051 0.000 1.102 345 N CA 0.879 53.956 53.050 0.046 0.000 0.920 345 N CB 0.061 38.612 38.487 0.107 0.000 0.963 345 N HN 0.409 nan 8.380 nan 0.000 0.447 346 E N -1.214 119.014 120.200 0.046 0.000 2.476 346 E HA 0.181 4.531 4.350 -0.000 0.000 0.199 346 E C 1.021 177.642 176.600 0.035 0.000 1.021 346 E CA 0.278 56.706 56.400 0.047 0.000 0.907 346 E CB 0.587 30.321 29.700 0.057 0.000 0.974 346 E HN 0.366 nan 8.360 nan 0.000 0.489 347 G N 1.319 110.134 108.800 0.025 0.000 2.481 347 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.200 347 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.200 347 G C 0.381 175.288 174.900 0.012 0.000 1.012 347 G CA -0.427 44.684 45.100 0.018 0.000 0.676 347 G HN 0.122 nan 8.290 nan 0.000 0.488 348 I N 2.737 123.317 120.570 0.017 0.000 2.882 348 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 348 I C 1.524 177.640 176.117 -0.002 0.000 1.139 348 I CA 0.300 61.608 61.300 0.012 0.000 1.379 348 I CB 1.179 39.194 38.000 0.025 0.000 1.410 348 I HN 0.459 nan 8.210 nan 0.000 0.594 349 S N 3.623 119.319 115.700 -0.008 0.000 2.632 349 S HA 0.172 4.642 4.470 -0.000 0.000 0.267 349 S C 0.805 175.387 174.600 -0.030 0.000 1.276 349 S CA -0.708 57.479 58.200 -0.022 0.000 0.998 349 S CB 1.587 64.774 63.200 -0.022 0.000 0.953 349 S HN 0.714 nan 8.310 nan 0.000 0.547 350 K N 0.486 120.857 120.400 -0.047 0.000 2.097 350 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 350 K C 1.562 178.112 176.600 -0.083 0.000 1.049 350 K CA 1.641 57.889 56.287 -0.065 0.000 0.933 350 K CB -0.294 32.160 32.500 -0.077 0.000 0.717 350 K HN 0.686 nan 8.250 nan 0.000 0.442 351 E N 0.846 121.002 120.200 -0.072 0.000 2.038 351 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 351 E C 1.793 178.353 176.600 -0.067 0.000 1.000 351 E CA 1.640 57.993 56.400 -0.078 0.000 0.803 351 E CB -0.137 29.530 29.700 -0.055 0.000 0.750 351 E HN 0.423 nan 8.360 nan 0.000 0.448 352 E N -0.107 120.070 120.200 -0.039 0.000 2.208 352 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 352 E C 1.904 178.501 176.600 -0.005 0.000 0.988 352 E CA 0.691 57.080 56.400 -0.019 0.000 0.828 352 E CB -0.037 29.662 29.700 -0.003 0.000 0.763 352 E HN 0.238 nan 8.360 nan 0.000 0.478 353 A N 0.686 123.502 122.820 -0.006 0.000 1.865 353 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 353 A C 2.477 180.082 177.584 0.036 0.000 1.191 353 A CA 1.542 53.597 52.037 0.031 0.000 0.623 353 A CB -1.047 17.966 19.000 0.022 0.000 0.826 353 A HN 0.521 nan 8.150 nan 0.000 0.444 354 C N -0.584 118.678 119.300 -0.062 0.000 2.413 354 C HA -0.130 4.330 4.460 -0.000 0.000 0.276 354 C C 2.549 177.499 174.990 -0.067 0.000 1.248 354 C CA 1.148 60.090 59.018 -0.125 0.000 1.742 354 C CB -1.993 25.514 27.740 -0.390 0.000 2.017 354 C HN 0.711 nan 8.230 nan 0.000 0.481 355 N N -0.061 118.586 118.700 -0.088 0.000 2.334 355 N HA -0.144 4.595 4.740 -0.000 0.000 0.187 355 N C 1.540 176.968 175.510 -0.137 0.000 1.016 355 N CA 0.780 53.760 53.050 -0.116 0.000 0.879 355 N CB -0.049 38.407 38.487 -0.051 0.000 0.965 355 N HN 0.594 nan 8.380 nan 0.000 0.438 356 R N -0.120 120.376 120.500 -0.007 0.000 2.317 356 R HA 0.262 4.601 4.340 -0.000 0.000 0.208 356 R C -0.197 176.216 176.300 0.188 0.000 0.914 356 R CA 0.202 56.364 56.100 0.105 0.000 1.060 356 R CB 0.570 30.968 30.300 0.163 0.000 1.015 356 R HN 0.152 nan 8.270 nan 0.000 0.498 357 I N 0.930 121.541 120.570 0.069 0.000 2.389 357 I HA 0.271 4.441 4.170 -0.000 0.000 0.288 357 I C -1.043 175.073 176.117 -0.001 0.000 0.999 357 I CA -0.951 60.497 61.300 0.246 0.000 1.129 357 I CB 1.356 39.603 38.000 0.411 0.000 1.288 357 I HN -0.083 nan 8.210 nan 0.000 0.444 358 Y N 6.278 126.752 120.300 0.291 0.000 2.364 358 Y HA 0.619 5.169 4.550 -0.000 0.000 0.340 358 Y C -0.360 175.661 175.900 0.202 0.000 0.975 358 Y CA -0.768 57.453 58.100 0.202 0.000 1.089 358 Y CB 1.662 40.210 38.460 0.148 0.000 1.192 358 Y HN 0.268 nan 8.280 nan 0.000 0.454 359 L N 4.491 125.834 121.223 0.200 0.000 2.346 359 L HA 0.663 5.002 4.340 -0.000 0.000 0.276 359 L C -0.623 176.276 176.870 0.049 0.000 1.006 359 L CA -0.722 54.154 54.840 0.059 0.000 0.817 359 L CB 1.764 43.679 42.059 -0.240 0.000 1.272 359 L HN 0.574 nan 8.230 nan 0.000 0.421 360 M N 3.309 122.950 119.600 0.067 0.000 2.395 360 M HA 0.400 4.880 4.480 -0.000 0.000 0.307 360 M C -1.294 174.950 176.300 -0.094 0.000 1.091 360 M CA -0.655 54.667 55.300 0.037 0.000 0.919 360 M CB 2.465 35.169 32.600 0.173 0.000 1.662 360 M HN 0.626 nan 8.290 nan 0.000 0.440 361 D N 1.554 121.884 120.400 -0.116 0.000 2.758 361 D HA 0.277 4.917 4.640 -0.000 0.000 0.279 361 D C 0.589 176.799 176.300 -0.149 0.000 1.111 361 D CA -0.700 53.205 54.000 -0.158 0.000 1.109 361 D CB 0.773 41.515 40.800 -0.096 0.000 1.428 361 D HN 0.665 nan 8.370 nan 0.000 0.586 362 I N -0.035 120.459 120.570 -0.126 0.000 2.479 362 I HA -0.262 3.908 4.170 -0.000 0.000 0.258 362 I C 0.567 176.663 176.117 -0.034 0.000 1.165 362 I CA 1.612 62.861 61.300 -0.084 0.000 1.422 362 I CB 0.066 38.032 38.000 -0.057 0.000 1.087 362 I HN 0.230 nan 8.210 nan 0.000 0.441 363 D N 0.541 120.926 120.400 -0.026 0.000 2.354 363 D HA 0.200 4.840 4.640 -0.000 0.000 0.209 363 D C 1.062 177.369 176.300 0.013 0.000 1.015 363 D CA 1.076 55.075 54.000 -0.002 0.000 0.867 363 D CB 0.655 41.456 40.800 0.001 0.000 0.933 363 D HN 0.589 nan 8.370 nan 0.000 0.520 364 G N 0.585 109.392 108.800 0.011 0.000 2.295 364 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.195 364 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.195 364 G C -1.236 173.689 174.900 0.041 0.000 1.269 364 G CA -0.512 44.615 45.100 0.045 0.000 1.170 364 G HN 0.180 nan 8.290 nan 0.000 0.511 365 L N 1.047 122.306 121.223 0.060 0.000 2.410 365 L HA 0.598 4.938 4.340 -0.000 0.000 0.273 365 L C 0.733 177.628 176.870 0.042 0.000 1.152 365 L CA -0.249 54.632 54.840 0.069 0.000 0.855 365 L CB 1.177 43.289 42.059 0.088 0.000 1.129 365 L HN 0.659 nan 8.230 nan 0.000 0.463 366 V N 5.232 125.158 119.914 0.020 0.000 2.415 366 V HA 0.273 4.393 4.120 -0.000 0.000 0.267 366 V C 0.659 176.775 176.094 0.036 0.000 1.042 366 V CA 0.075 62.372 62.300 -0.006 0.000 1.000 366 V CB 0.084 31.846 31.823 -0.101 0.000 1.015 366 V HN 0.973 nan 8.190 nan 0.000 0.478 367 T N 1.568 116.145 114.554 0.039 0.000 2.940 367 T HA 0.433 4.783 4.350 -0.000 0.000 0.288 367 T C 0.827 175.549 174.700 0.038 0.000 1.033 367 T CA -0.955 61.174 62.100 0.048 0.000 1.033 367 T CB 1.750 70.646 68.868 0.046 0.000 1.079 367 T HN 0.471 nan 8.240 nan 0.000 0.496 368 K N 0.473 120.894 120.400 0.035 0.000 2.281 368 K HA -0.027 4.292 4.320 -0.000 0.000 0.203 368 K C 0.729 177.344 176.600 0.024 0.000 1.046 368 K CA 0.816 57.119 56.287 0.027 0.000 0.938 368 K CB -0.109 32.403 32.500 0.019 0.000 0.737 368 K HN 0.450 nan 8.250 nan 0.000 0.458 369 N N 1.539 120.254 118.700 0.025 0.000 2.575 369 N HA 0.011 4.751 4.740 -0.000 0.000 0.275 369 N C -0.550 174.973 175.510 0.022 0.000 1.202 369 N CA 0.072 53.135 53.050 0.021 0.000 0.945 369 N CB 0.389 38.888 38.487 0.020 0.000 1.247 369 N HN 0.162 nan 8.380 nan 0.000 0.510 370 R N 0.676 121.190 120.500 0.024 0.000 2.486 370 R HA 0.224 4.564 4.340 -0.000 0.000 0.286 370 R C 1.067 177.380 176.300 0.021 0.000 0.999 370 R CA -0.491 55.623 56.100 0.024 0.000 0.993 370 R CB 1.454 31.771 30.300 0.028 0.000 1.084 370 R HN -0.044 nan 8.270 nan 0.000 0.487 371 K N 1.745 122.156 120.400 0.018 0.000 1.970 371 K HA -0.168 4.152 4.320 -0.000 0.000 0.225 371 K C -0.170 176.439 176.600 0.015 0.000 1.045 371 K CA 1.718 58.013 56.287 0.014 0.000 1.002 371 K CB -0.027 32.480 32.500 0.011 0.000 0.743 371 K HN 0.592 nan 8.250 nan 0.000 0.445 372 E N 1.222 121.432 120.200 0.016 0.000 2.267 372 E HA 0.186 4.536 4.350 -0.000 0.000 0.248 372 E C -0.725 175.889 176.600 0.023 0.000 0.899 372 E CA -0.287 56.122 56.400 0.015 0.000 0.764 372 E CB 1.358 31.062 29.700 0.007 0.000 1.227 372 E HN 0.266 nan 8.360 nan 0.000 0.421 373 M N 0.813 120.434 119.600 0.035 0.000 2.598 373 M HA 0.488 4.968 4.480 -0.000 0.000 0.317 373 M C 0.006 176.327 176.300 0.036 0.000 1.201 373 M CA -0.973 54.366 55.300 0.065 0.000 0.971 373 M CB 1.296 33.958 32.600 0.103 0.000 1.657 373 M HN 0.079 nan 8.290 nan 0.000 0.470 374 N N 1.750 120.459 118.700 0.015 0.000 2.458 374 N HA 0.107 4.846 4.740 -0.000 0.000 0.258 374 N C -2.051 173.398 175.510 -0.102 0.000 1.219 374 N CA -0.950 52.019 53.050 -0.134 0.000 0.902 374 N CB 1.013 39.253 38.487 -0.412 0.000 1.076 374 N HN 0.448 nan 8.380 nan 0.000 0.455 375 P HA -0.137 nan 4.420 nan 0.000 0.216 375 P C 0.720 178.002 177.300 -0.030 0.000 1.154 375 P CA 1.720 64.795 63.100 -0.041 0.000 0.865 375 P CB 0.147 31.824 31.700 -0.039 0.000 0.789 376 R N -1.909 118.523 120.500 -0.113 0.000 2.341 376 R HA -0.098 4.242 4.340 -0.000 0.000 0.213 376 R C 1.785 178.172 176.300 0.145 0.000 1.082 376 R CA 0.888 56.954 56.100 -0.057 0.000 1.017 376 R CB -0.712 29.443 30.300 -0.241 0.000 0.860 376 R HN 0.526 nan 8.270 nan 0.000 0.473 377 H N -1.398 117.723 119.070 0.085 0.000 2.654 377 H HA 0.084 4.640 4.556 -0.000 0.000 0.264 377 H C 1.882 177.296 175.328 0.142 0.000 0.954 377 H CA -0.155 55.984 56.048 0.152 0.000 1.199 377 H CB 0.674 30.459 29.762 0.039 0.000 1.446 377 H HN -0.074 nan 8.280 nan 0.000 0.516 378 V N 1.880 121.899 119.914 0.174 0.000 2.278 378 V HA -0.363 3.757 4.120 -0.000 0.000 0.251 378 V C 2.310 178.410 176.094 0.011 0.000 1.062 378 V CA 2.405 64.748 62.300 0.073 0.000 1.038 378 V CB -0.579 31.260 31.823 0.026 0.000 0.646 378 V HN 0.648 nan 8.190 nan 0.000 0.447 379 Q N -1.298 118.461 119.800 -0.068 0.000 2.482 379 Q HA -0.011 4.329 4.340 -0.000 0.000 0.209 379 Q C 1.576 177.307 176.000 -0.448 0.000 0.961 379 Q CA 1.349 56.985 55.803 -0.279 0.000 0.945 379 Q CB -0.200 28.289 28.738 -0.416 0.000 1.012 379 Q HN 0.611 nan 8.270 nan 0.000 0.515 380 F N 0.777 120.714 119.950 -0.022 0.000 2.727 380 F HA 0.420 4.947 4.527 -0.000 0.000 0.302 380 F C 1.044 176.801 175.800 -0.070 0.000 1.107 380 F CA -0.471 57.493 58.000 -0.060 0.000 1.277 380 F CB 0.363 39.324 39.000 -0.064 0.000 1.079 380 F HN 0.036 nan 8.300 nan 0.000 0.594 381 A N 1.774 124.658 122.820 0.106 0.000 2.567 381 A HA 0.120 4.440 4.320 -0.000 0.000 0.240 381 A C 0.316 177.919 177.584 0.031 0.000 1.053 381 A CA 0.113 52.186 52.037 0.060 0.000 0.755 381 A CB 0.028 19.058 19.000 0.049 0.000 0.978 381 A HN 0.013 nan 8.150 nan 0.000 0.507 382 K N 2.065 122.494 120.400 0.049 0.000 2.183 382 K HA 0.147 4.467 4.320 -0.000 0.000 0.274 382 K C -0.527 176.109 176.600 0.060 0.000 1.009 382 K CA -0.414 55.907 56.287 0.056 0.000 0.888 382 K CB 1.499 34.084 32.500 0.142 0.000 1.078 382 K HN 0.774 nan 8.250 nan 0.000 0.459 383 D N 4.624 125.053 120.400 0.048 0.000 2.767 383 D HA 0.033 4.673 4.640 -0.000 0.000 0.231 383 D C -0.092 176.242 176.300 0.057 0.000 1.105 383 D CA 0.080 54.105 54.000 0.042 0.000 1.024 383 D CB -0.266 40.551 40.800 0.028 0.000 1.123 383 D HN 0.392 nan 8.370 nan 0.000 0.470 384 M N -0.849 118.790 119.600 0.065 0.000 2.755 384 M HA 0.592 5.072 4.480 -0.000 0.000 0.273 384 M C -2.866 173.465 176.300 0.052 0.000 1.278 384 M CA -2.040 53.299 55.300 0.066 0.000 0.819 384 M CB 1.534 34.191 32.600 0.095 0.000 1.694 384 M HN -0.303 nan 8.290 nan 0.000 0.460 385 P HA 0.212 nan 4.420 nan 0.000 0.271 385 P C -1.093 176.228 177.300 0.036 0.000 1.216 385 P CA 0.209 63.329 63.100 0.033 0.000 0.771 385 P CB 0.431 32.145 31.700 0.024 0.000 0.864 386 E N 0.857 121.077 120.200 0.033 0.000 2.398 386 E HA 0.422 4.772 4.350 -0.000 0.000 0.263 386 E C 0.452 177.071 176.600 0.032 0.000 1.046 386 E CA 0.454 56.874 56.400 0.034 0.000 0.908 386 E CB 0.346 30.063 29.700 0.029 0.000 0.963 386 E HN 0.447 nan 8.360 nan 0.000 0.431 387 T N -0.029 114.548 114.554 0.038 0.000 2.775 387 T HA 0.350 4.700 4.350 -0.000 0.000 0.320 387 T C -0.331 174.400 174.700 0.051 0.000 1.597 387 T CA -0.576 61.547 62.100 0.037 0.000 1.022 387 T CB 1.177 70.064 68.868 0.031 0.000 1.485 387 T HN 0.293 nan 8.240 nan 0.000 0.494 388 T N 1.211 115.797 114.554 0.053 0.000 3.040 388 T HA 0.321 4.671 4.350 -0.000 0.000 0.266 388 T C 0.435 175.191 174.700 0.093 0.000 1.005 388 T CA -0.038 62.108 62.100 0.076 0.000 0.906 388 T CB 0.324 69.230 68.868 0.063 0.000 1.082 388 T HN 0.500 nan 8.240 nan 0.000 0.531 389 S N 1.282 117.020 115.700 0.063 0.000 2.452 389 S HA 0.397 4.867 4.470 -0.000 0.000 0.284 389 S C 1.365 175.989 174.600 0.040 0.000 1.171 389 S CA -0.658 57.568 58.200 0.043 0.000 1.064 389 S CB -0.031 63.177 63.200 0.013 0.000 0.967 389 S HN 0.284 nan 8.310 nan 0.000 0.484 390 I N 5.075 125.663 120.570 0.030 0.000 2.226 390 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 390 I C 1.990 178.074 176.117 -0.055 0.000 1.100 390 I CA 1.237 62.533 61.300 -0.006 0.000 1.374 390 I CB -0.258 37.671 38.000 -0.119 0.000 1.057 390 I HN 0.656 nan 8.210 nan 0.000 0.413 391 L N 0.391 121.575 121.223 -0.065 0.000 2.083 391 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 391 L C 2.534 179.365 176.870 -0.064 0.000 1.083 391 L CA 1.436 56.229 54.840 -0.077 0.000 0.752 391 L CB -0.547 41.468 42.059 -0.072 0.000 0.899 391 L HN 0.289 nan 8.230 nan 0.000 0.433 392 E N -0.465 119.710 120.200 -0.042 0.000 2.106 392 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 392 E C 2.273 178.842 176.600 -0.051 0.000 0.984 392 E CA 1.158 57.536 56.400 -0.037 0.000 0.806 392 E CB -0.012 29.678 29.700 -0.016 0.000 0.750 392 E HN 0.303 nan 8.360 nan 0.000 0.458 393 V N 1.623 121.509 119.914 -0.047 0.000 2.427 393 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 393 V C 2.254 178.259 176.094 -0.149 0.000 1.051 393 V CA 1.281 63.534 62.300 -0.078 0.000 1.048 393 V CB -0.378 31.430 31.823 -0.026 0.000 0.666 393 V HN 0.243 nan 8.190 nan 0.000 0.456 394 I N 0.013 120.506 120.570 -0.128 0.000 2.113 394 I HA -0.288 3.882 4.170 -0.000 0.000 0.238 394 I C 2.787 178.816 176.117 -0.146 0.000 1.070 394 I CA 2.061 63.269 61.300 -0.154 0.000 1.332 394 I CB -0.464 37.450 38.000 -0.144 0.000 1.044 394 I HN 0.227 nan 8.210 nan 0.000 0.402 395 R N 1.180 121.613 120.500 -0.112 0.000 2.127 395 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 395 R C 2.192 178.435 176.300 -0.095 0.000 1.134 395 R CA 1.682 57.726 56.100 -0.092 0.000 0.975 395 R CB -0.185 30.073 30.300 -0.071 0.000 0.865 395 R HN 0.402 nan 8.270 nan 0.000 0.447 396 A N -0.042 122.712 122.820 -0.109 0.000 1.930 396 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 396 A C 2.068 179.562 177.584 -0.149 0.000 1.176 396 A CA 1.238 53.213 52.037 -0.103 0.000 0.632 396 A CB -0.220 18.729 19.000 -0.085 0.000 0.819 396 A HN 0.494 nan 8.150 nan 0.000 0.445 397 A N -1.547 121.112 122.820 -0.269 0.000 2.197 397 A HA 0.356 4.676 4.320 -0.000 0.000 0.210 397 A C 1.020 178.468 177.584 -0.227 0.000 1.180 397 A CA 0.350 52.161 52.037 -0.376 0.000 0.846 397 A CB -0.063 18.309 19.000 -1.046 0.000 0.884 397 A HN 0.420 nan 8.150 nan 0.000 0.487 398 R N -0.726 119.662 120.500 -0.187 0.000 3.251 398 R HA -0.125 4.215 4.340 -0.000 0.000 0.249 398 R C -2.363 173.854 176.300 -0.137 0.000 0.949 398 R CA 0.505 56.524 56.100 -0.136 0.000 0.645 398 R CB -1.966 28.278 30.300 -0.093 0.000 1.065 398 R HN 0.494 nan 8.270 nan 0.000 0.452 399 P HA -0.045 nan 4.420 nan 0.000 0.271 399 P C 0.693 177.893 177.300 -0.166 0.000 1.233 399 P CA 0.516 63.525 63.100 -0.151 0.000 0.789 399 P CB 0.779 32.394 31.700 -0.143 0.000 0.951 400 G N -0.167 108.503 108.800 -0.218 0.000 2.833 400 G HA2 0.385 4.345 3.960 -0.000 0.000 0.210 400 G HA3 0.385 4.345 3.960 -0.000 0.000 0.210 400 G C 0.277 175.039 174.900 -0.229 0.000 1.139 400 G CA 0.345 45.319 45.100 -0.210 0.000 0.771 400 G HN 0.815 nan 8.290 nan 0.000 0.535 401 A N -0.056 122.592 122.820 -0.287 0.000 2.393 401 A HA 0.713 5.033 4.320 -0.000 0.000 0.306 401 A C -1.733 175.729 177.584 -0.202 0.000 1.050 401 A CA -0.573 51.318 52.037 -0.242 0.000 0.724 401 A CB 2.011 20.868 19.000 -0.239 0.000 1.248 401 A HN 0.414 nan 8.150 nan 0.000 0.424 402 L N 3.282 124.386 121.223 -0.198 0.000 2.316 402 L HA 0.709 5.049 4.340 -0.000 0.000 0.280 402 L C -1.301 175.523 176.870 -0.077 0.000 1.006 402 L CA -0.195 54.523 54.840 -0.204 0.000 0.836 402 L CB 0.722 42.556 42.059 -0.374 0.000 1.221 402 L HN 0.571 nan 8.230 nan 0.000 0.418 403 I N 4.897 125.423 120.570 -0.073 0.000 2.382 403 I HA 0.510 4.680 4.170 -0.000 0.000 0.286 403 I C 0.489 176.821 176.117 0.359 0.000 1.002 403 I CA -0.503 60.835 61.300 0.063 0.000 1.135 403 I CB 1.809 39.588 38.000 -0.367 0.000 1.288 403 I HN 0.763 nan 8.210 nan 0.000 0.448 404 G N 4.520 113.629 108.800 0.514 0.000 2.335 404 G HA2 0.628 4.588 3.960 -0.000 0.000 0.314 404 G HA3 0.628 4.588 3.960 -0.000 0.000 0.314 404 G C -0.238 174.796 174.900 0.224 0.000 1.129 404 G CA -0.363 44.964 45.100 0.379 0.000 0.912 404 G HN 0.738 nan 8.290 nan 0.000 0.443 405 A N 2.254 125.201 122.820 0.211 0.000 3.308 405 A HA 0.638 4.958 4.320 -0.000 0.000 0.275 405 A C 0.259 177.875 177.584 0.055 0.000 0.950 405 A CA -0.260 51.859 52.037 0.136 0.000 0.987 405 A CB 0.103 19.207 19.000 0.173 0.000 1.146 405 A HN 1.416 nan 8.150 nan 0.000 0.488 406 S N -0.688 115.028 115.700 0.025 0.000 2.733 406 S HA 0.363 4.833 4.470 -0.000 0.000 0.294 406 S C 0.618 175.215 174.600 -0.004 0.000 1.149 406 S CA 0.243 58.414 58.200 -0.049 0.000 1.034 406 S CB 0.697 63.768 63.200 -0.215 0.000 1.015 406 S HN 0.954 nan 8.310 nan 0.000 0.486 407 T N -0.095 114.453 114.554 -0.010 0.000 3.263 407 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 407 T C 0.796 175.505 174.700 0.015 0.000 1.207 407 T CA 0.653 62.754 62.100 0.002 0.000 1.037 407 T CB -1.716 67.149 68.868 -0.005 0.000 0.864 407 T HN 1.352 nan 8.240 nan 0.000 0.587 408 V N -0.652 119.285 119.914 0.038 0.000 2.389 408 V HA 0.421 4.541 4.120 -0.000 0.000 0.264 408 V C 0.595 176.712 176.094 0.039 0.000 1.049 408 V CA -1.616 60.724 62.300 0.066 0.000 0.932 408 V CB 0.159 32.078 31.823 0.161 0.000 1.011 408 V HN 0.432 nan 8.190 nan 0.000 0.475 409 R N 4.411 124.928 120.500 0.027 0.000 2.585 409 R HA 0.265 4.605 4.340 -0.000 0.000 0.275 409 R C 1.280 177.585 176.300 0.008 0.000 1.018 409 R CA 1.011 57.123 56.100 0.019 0.000 1.072 409 R CB 0.133 30.448 30.300 0.025 0.000 0.953 409 R HN 1.675 nan 8.270 nan 0.000 0.419 410 G N 2.821 111.617 108.800 -0.006 0.000 2.361 410 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.294 410 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.294 410 G C 0.744 175.636 174.900 -0.014 0.000 1.004 410 G CA 0.667 45.763 45.100 -0.006 0.000 0.870 410 G HN 0.840 nan 8.290 nan 0.000 0.510 411 A N -0.706 122.070 122.820 -0.073 0.000 2.168 411 A HA 0.358 4.678 4.320 -0.000 0.000 0.215 411 A C 1.104 178.689 177.584 0.001 0.000 1.152 411 A CA 0.450 52.431 52.037 -0.092 0.000 0.716 411 A CB -0.010 18.917 19.000 -0.122 0.000 0.794 411 A HN 0.652 nan 8.150 nan 0.000 0.465 412 F N 1.818 121.685 119.950 -0.137 0.000 2.395 412 F HA 0.146 4.673 4.527 -0.000 0.000 0.347 412 F C 0.493 176.244 175.800 -0.082 0.000 1.157 412 F CA -1.130 56.790 58.000 -0.134 0.000 1.272 412 F CB 0.023 38.984 39.000 -0.065 0.000 1.607 412 F HN 0.369 nan 8.300 nan 0.000 0.571 413 N N -0.274 118.466 118.700 0.067 0.000 2.347 413 N HA -0.002 4.738 4.740 -0.000 0.000 0.253 413 N C 1.036 176.479 175.510 -0.112 0.000 1.274 413 N CA -0.502 52.541 53.050 -0.011 0.000 0.941 413 N CB 0.523 38.977 38.487 -0.056 0.000 1.200 413 N HN 0.452 nan 8.380 nan 0.000 0.514 414 E N -0.201 119.811 120.200 -0.314 0.000 2.086 414 E HA -0.379 3.971 4.350 -0.000 0.000 0.205 414 E C 1.139 177.496 176.600 -0.404 0.000 1.027 414 E CA 1.829 57.784 56.400 -0.741 0.000 0.830 414 E CB -0.128 28.898 29.700 -1.123 0.000 0.751 414 E HN 0.715 nan 8.360 nan 0.000 0.456 415 E N -0.375 119.657 120.200 -0.280 0.000 2.130 415 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 415 E C 2.209 178.710 176.600 -0.164 0.000 0.998 415 E CA 1.450 57.734 56.400 -0.194 0.000 0.806 415 E CB 0.046 29.658 29.700 -0.146 0.000 0.738 415 E HN 0.220 nan 8.360 nan 0.000 0.459 416 V N 1.267 121.086 119.914 -0.159 0.000 2.323 416 V HA -0.233 3.887 4.120 -0.000 0.000 0.244 416 V C 2.218 178.201 176.094 -0.185 0.000 1.041 416 V CA 1.372 63.566 62.300 -0.177 0.000 1.025 416 V CB -0.310 31.396 31.823 -0.196 0.000 0.656 416 V HN 0.251 nan 8.190 nan 0.000 0.451 417 I N -0.641 119.843 120.570 -0.143 0.000 2.179 417 I HA -0.210 3.959 4.170 -0.000 0.000 0.242 417 I C 2.799 178.869 176.117 -0.079 0.000 1.088 417 I CA 1.286 62.532 61.300 -0.090 0.000 1.357 417 I CB -0.521 37.505 38.000 0.043 0.000 1.051 417 I HN 0.211 nan 8.210 nan 0.000 0.409 418 R N 1.078 121.518 120.500 -0.101 0.000 2.083 418 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 418 R C 2.374 178.623 176.300 -0.085 0.000 1.137 418 R CA 1.692 57.740 56.100 -0.086 0.000 0.951 418 R CB -1.112 29.113 30.300 -0.124 0.000 0.851 418 R HN 0.419 nan 8.270 nan 0.000 0.434 419 A N 1.282 124.038 122.820 -0.107 0.000 1.883 419 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 419 A C 2.267 179.790 177.584 -0.102 0.000 1.186 419 A CA 1.700 53.674 52.037 -0.104 0.000 0.624 419 A CB -0.382 18.546 19.000 -0.121 0.000 0.822 419 A HN 0.116 nan 8.150 nan 0.000 0.444 420 M N -0.417 119.112 119.600 -0.119 0.000 2.159 420 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 420 M C 1.741 177.996 176.300 -0.075 0.000 1.063 420 M CA 1.373 56.604 55.300 -0.115 0.000 1.110 420 M CB -1.391 31.123 32.600 -0.144 0.000 1.374 420 M HN 0.422 nan 8.290 nan 0.000 0.411 421 A N 0.222 123.009 122.820 -0.054 0.000 3.135 421 A HA 0.187 4.507 4.320 -0.000 0.000 0.253 421 A C 1.294 178.861 177.584 -0.029 0.000 1.638 421 A CA 0.200 52.221 52.037 -0.026 0.000 1.295 421 A CB -0.419 18.580 19.000 -0.001 0.000 1.106 421 A HN 0.448 nan 8.150 nan 0.000 0.648 422 E N -0.641 119.535 120.200 -0.041 0.000 2.527 422 E HA 0.030 4.380 4.350 -0.000 0.000 0.211 422 E C 0.480 177.055 176.600 -0.042 0.000 1.031 422 E CA 0.431 56.808 56.400 -0.039 0.000 1.654 422 E CB -0.027 29.645 29.700 -0.048 0.000 2.873 422 E HN 0.479 nan 8.360 nan 0.000 1.109 423 I N 1.817 122.355 120.570 -0.054 0.000 3.603 423 I HA 0.109 4.279 4.170 -0.000 0.000 0.297 423 I C 0.033 176.118 176.117 -0.052 0.000 1.269 423 I CA 0.439 61.705 61.300 -0.057 0.000 1.361 423 I CB 0.195 38.150 38.000 -0.075 0.000 1.063 423 I HN -0.087 nan 8.210 nan 0.000 0.448 424 N N 0.126 118.797 118.700 -0.048 0.000 2.260 424 N HA 0.208 4.948 4.740 -0.000 0.000 0.293 424 N C 0.194 175.692 175.510 -0.019 0.000 1.058 424 N CA -0.385 52.641 53.050 -0.040 0.000 0.824 424 N CB 1.761 40.216 38.487 -0.054 0.000 1.551 424 N HN 0.021 nan 8.380 nan 0.000 0.475 425 E N 0.660 120.854 120.200 -0.010 0.000 2.106 425 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 425 E C -0.092 176.522 176.600 0.023 0.000 0.984 425 E CA 0.983 57.386 56.400 0.006 0.000 0.806 425 E CB 0.308 30.012 29.700 0.008 0.000 0.750 425 E HN 0.203 nan 8.360 nan 0.000 0.458 426 R N 0.959 121.473 120.500 0.023 0.000 2.585 426 R HA 0.239 4.579 4.340 -0.000 0.000 0.278 426 R C -2.649 173.672 176.300 0.035 0.000 1.663 426 R CA -2.077 54.052 56.100 0.050 0.000 1.592 426 R CB 0.691 31.027 30.300 0.060 0.000 1.200 426 R HN 0.096 nan 8.270 nan 0.000 0.611 427 P HA 0.093 nan 4.420 nan 0.000 0.267 427 P C 0.015 177.332 177.300 0.028 0.000 1.205 427 P CA 0.092 63.190 63.100 -0.004 0.000 0.765 427 P CB 1.041 32.730 31.700 -0.019 0.000 0.828 428 I N 5.024 125.583 120.570 -0.018 0.000 2.301 428 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 428 I C 0.571 176.696 176.117 0.013 0.000 1.046 428 I CA -0.420 60.881 61.300 0.001 0.000 1.282 428 I CB 0.337 38.256 38.000 -0.135 0.000 1.409 428 I HN 0.147 nan 8.210 nan 0.000 0.484 429 I N 6.760 127.455 120.570 0.209 0.000 2.411 429 I HA 0.329 4.499 4.170 -0.000 0.000 0.284 429 I C -1.026 175.437 176.117 0.577 0.000 1.012 429 I CA -0.470 61.001 61.300 0.285 0.000 1.119 429 I CB 1.351 39.504 38.000 0.256 0.000 1.261 429 I HN 0.311 nan 8.210 nan 0.000 0.448 430 F N 4.766 124.789 119.950 0.121 0.000 2.403 430 F HA 0.532 5.059 4.527 -0.000 0.000 0.355 430 F C 0.480 176.385 175.800 0.174 0.000 1.119 430 F CA -1.422 56.597 58.000 0.032 0.000 1.007 430 F CB 1.871 40.896 39.000 0.042 0.000 1.194 430 F HN 0.422 nan 8.300 nan 0.000 0.443 431 A N 4.756 127.692 122.820 0.194 0.000 2.540 431 A HA 0.543 4.863 4.320 -0.000 0.000 0.340 431 A C 0.293 177.942 177.584 0.109 0.000 1.424 431 A CA -0.239 51.920 52.037 0.204 0.000 0.940 431 A CB -0.073 19.122 19.000 0.325 0.000 1.149 431 A HN 0.626 nan 8.150 nan 0.000 0.505 432 L N 1.282 122.576 121.223 0.118 0.000 2.477 432 L HA 0.126 4.466 4.340 -0.000 0.000 0.220 432 L C 1.394 178.306 176.870 0.070 0.000 1.106 432 L CA 0.809 55.704 54.840 0.092 0.000 0.851 432 L CB -0.722 41.421 42.059 0.141 0.000 0.994 432 L HN 0.507 nan 8.230 nan 0.000 0.462 433 S N 0.987 116.723 115.700 0.061 0.000 2.558 433 S HA 0.090 4.560 4.470 -0.000 0.000 0.288 433 S C 0.388 175.007 174.600 0.031 0.000 1.318 433 S CA -0.032 58.192 58.200 0.040 0.000 1.056 433 S CB 0.072 63.287 63.200 0.025 0.000 0.853 433 S HN 0.286 nan 8.310 nan 0.000 0.505 434 N N 2.734 121.442 118.700 0.013 0.000 2.335 434 N HA 0.505 5.245 4.740 -0.000 0.000 0.304 434 N C -2.602 172.898 175.510 -0.017 0.000 1.135 434 N CA -1.351 51.694 53.050 -0.009 0.000 0.817 434 N CB 1.373 39.851 38.487 -0.015 0.000 1.294 434 N HN 0.262 nan 8.380 nan 0.000 0.497 435 P HA 0.203 nan 4.420 nan 0.000 0.323 435 P C 1.059 178.326 177.300 -0.055 0.000 1.309 435 P CA 0.065 63.130 63.100 -0.058 0.000 0.739 435 P CB 0.076 31.736 31.700 -0.067 0.000 1.454 436 T N -3.167 111.312 114.554 -0.125 0.000 2.778 436 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 436 T C 1.710 176.441 174.700 0.052 0.000 1.050 436 T CA 1.834 63.850 62.100 -0.139 0.000 1.137 436 T CB -1.610 67.018 68.868 -0.400 0.000 0.860 436 T HN 0.426 nan 8.240 nan 0.000 0.468 437 S N 1.158 116.867 115.700 0.015 0.000 2.500 437 S HA 0.010 4.480 4.470 -0.000 0.000 0.239 437 S C 1.615 176.240 174.600 0.042 0.000 0.989 437 S CA 0.259 58.481 58.200 0.038 0.000 0.951 437 S CB -0.253 62.953 63.200 0.010 0.000 0.759 437 S HN 0.397 nan 8.310 nan 0.000 0.523 438 K N 1.085 121.509 120.400 0.039 0.000 2.374 438 K HA 0.465 4.785 4.320 -0.000 0.000 0.202 438 K C 0.561 177.189 176.600 0.047 0.000 1.040 438 K CA 0.382 56.688 56.287 0.033 0.000 1.085 438 K CB -0.000 32.509 32.500 0.015 0.000 0.873 438 K HN 0.423 nan 8.250 nan 0.000 0.539 439 A N 1.790 124.670 122.820 0.101 0.000 2.567 439 A HA -0.021 4.299 4.320 -0.000 0.000 0.240 439 A C 0.839 178.447 177.584 0.040 0.000 1.053 439 A CA 0.132 52.254 52.037 0.142 0.000 0.755 439 A CB 0.145 19.373 19.000 0.380 0.000 0.978 439 A HN 0.174 nan 8.150 nan 0.000 0.507 440 E N 0.074 120.219 120.200 -0.091 0.000 2.331 440 E HA -0.033 4.317 4.350 -0.000 0.000 0.199 440 E C 0.532 177.046 176.600 -0.143 0.000 1.008 440 E CA 1.604 57.799 56.400 -0.343 0.000 0.843 440 E CB -0.402 28.602 29.700 -1.160 0.000 0.761 440 E HN 0.996 nan 8.360 nan 0.000 0.507 441 C N -2.638 116.670 119.300 0.014 0.000 3.268 441 C HA 0.456 4.916 4.460 -0.000 0.000 0.374 441 C C 0.103 174.986 174.990 -0.178 0.000 1.126 441 C CA -0.764 58.247 59.018 -0.011 0.000 1.162 441 C CB 0.586 28.378 27.740 0.087 0.000 1.503 441 C HN 0.231 nan 8.230 nan 0.000 0.538 442 T N 0.630 114.902 114.554 -0.470 0.000 2.816 442 T HA 0.614 4.964 4.350 -0.000 0.000 0.282 442 T C 1.324 175.241 174.700 -1.305 0.000 0.993 442 T CA 0.268 61.693 62.100 -1.125 0.000 0.994 442 T CB 1.240 69.568 68.868 -0.901 0.000 1.025 442 T HN 2.185 nan 8.240 nan 0.000 0.529 443 A N -0.113 121.789 122.820 -1.530 0.000 1.898 443 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 443 A C 2.291 179.195 177.584 -1.133 0.000 1.181 443 A CA 1.670 52.852 52.037 -1.425 0.000 0.620 443 A CB -1.174 17.524 19.000 -0.503 0.000 0.819 443 A HN 1.040 nan 8.150 nan 0.000 0.442 444 E N 0.010 119.637 120.200 -0.956 0.000 2.130 444 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 444 E C 1.857 177.794 176.600 -1.105 0.000 0.998 444 E CA 1.642 57.307 56.400 -1.224 0.000 0.806 444 E CB -0.118 29.026 29.700 -0.927 0.000 0.738 444 E HN 0.783 nan 8.360 nan 0.000 0.459 445 E N -0.112 119.545 120.200 -0.905 0.000 2.107 445 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 445 E C 2.051 178.195 176.600 -0.761 0.000 0.982 445 E CA 0.734 56.598 56.400 -0.893 0.000 0.809 445 E CB -0.091 29.316 29.700 -0.488 0.000 0.756 445 E HN 0.309 nan 8.360 nan 0.000 0.459 446 A N 0.693 123.064 122.820 -0.747 0.000 1.933 446 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 446 A C 1.817 179.106 177.584 -0.490 0.000 1.175 446 A CA 1.136 52.814 52.037 -0.598 0.000 0.628 446 A CB -0.692 17.777 19.000 -0.885 0.000 0.814 446 A HN 0.294 nan 8.150 nan 0.000 0.444 447 Y N -0.313 119.689 120.300 -0.497 0.000 2.243 447 Y HA -0.115 4.435 4.550 -0.000 0.000 0.293 447 Y C 2.995 178.708 175.900 -0.312 0.000 1.124 447 Y CA 1.144 58.992 58.100 -0.419 0.000 1.159 447 Y CB -0.400 37.720 38.460 -0.567 0.000 1.008 447 Y HN 0.247 nan 8.280 nan 0.000 0.527 448 T N 0.394 114.771 114.554 -0.295 0.000 2.708 448 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 448 T C 1.209 175.834 174.700 -0.124 0.000 1.037 448 T CA 1.372 63.319 62.100 -0.255 0.000 1.146 448 T CB -0.657 67.867 68.868 -0.574 0.000 0.865 448 T HN 0.271 nan 8.240 nan 0.000 0.435 449 F N 1.759 121.649 119.950 -0.100 0.000 2.795 449 F HA 0.104 4.631 4.527 -0.000 0.000 0.303 449 F C 1.874 177.634 175.800 -0.066 0.000 1.186 449 F CA 0.011 57.960 58.000 -0.084 0.000 1.415 449 F CB -0.228 38.705 39.000 -0.112 0.000 1.106 449 F HN 0.254 nan 8.300 nan 0.000 0.558 450 T N -5.197 109.416 114.554 0.099 0.000 3.192 450 T HA 0.091 4.441 4.350 -0.000 0.000 0.295 450 T C 0.347 175.085 174.700 0.063 0.000 0.947 450 T CA -0.359 61.782 62.100 0.069 0.000 0.916 450 T CB -0.251 68.653 68.868 0.060 0.000 1.169 450 T HN 0.145 nan 8.240 nan 0.000 0.540 451 N N 1.737 120.470 118.700 0.055 0.000 2.725 451 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 451 N C 0.938 176.471 175.510 0.038 0.000 1.103 451 N CA 1.146 54.218 53.050 0.037 0.000 0.707 451 N CB -1.780 36.723 38.487 0.026 0.000 1.043 451 N HN 1.323 nan 8.380 nan 0.000 0.553 452 G N -1.378 107.448 108.800 0.043 0.000 2.256 452 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.272 452 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.272 452 G C 0.710 175.756 174.900 0.243 0.000 1.076 452 G CA 0.717 45.845 45.100 0.046 0.000 0.882 452 G HN 1.054 nan 8.290 nan 0.000 0.497 453 A N -1.381 121.561 122.820 0.204 0.000 2.358 453 A HA 0.832 5.152 4.320 -0.000 0.000 0.223 453 A C 1.499 179.212 177.584 0.215 0.000 1.218 453 A CA 1.412 53.562 52.037 0.189 0.000 0.942 453 A CB 0.218 19.282 19.000 0.105 0.000 1.005 453 A HN 2.147 nan 8.150 nan 0.000 0.514 454 A N 0.154 123.120 122.820 0.243 0.000 2.445 454 A HA 0.560 4.880 4.320 -0.000 0.000 0.242 454 A C -0.139 177.645 177.584 0.335 0.000 1.075 454 A CA 0.048 52.210 52.037 0.209 0.000 0.777 454 A CB -0.133 18.922 19.000 0.091 0.000 1.013 454 A HN 0.428 nan 8.150 nan 0.000 0.493 455 L N 2.819 124.206 121.223 0.273 0.000 2.314 455 L HA 0.270 4.610 4.340 -0.000 0.000 0.275 455 L C -0.689 176.422 176.870 0.402 0.000 1.068 455 L CA -0.223 54.814 54.840 0.328 0.000 0.894 455 L CB -0.031 42.169 42.059 0.236 0.000 1.275 455 L HN 0.767 nan 8.230 nan 0.000 0.432 456 Y N 3.066 123.499 120.300 0.221 0.000 2.361 456 Y HA 0.738 5.288 4.550 -0.000 0.000 0.332 456 Y C -0.170 175.761 175.900 0.051 0.000 1.101 456 Y CA -0.666 57.495 58.100 0.101 0.000 1.137 456 Y CB 1.603 39.913 38.460 -0.249 0.000 1.207 456 Y HN 0.515 nan 8.280 nan 0.000 0.463 457 A N 3.274 125.537 122.820 -0.929 0.000 2.572 457 A HA 0.786 5.106 4.320 -0.000 0.000 0.295 457 A C -1.273 175.669 177.584 -1.071 0.000 1.072 457 A CA -0.220 51.255 52.037 -0.937 0.000 0.691 457 A CB 1.172 19.343 19.000 -1.382 0.000 1.291 457 A HN 0.945 nan 8.150 nan 0.000 0.404 458 S N -0.258 115.128 115.700 -0.523 0.000 2.627 458 S HA 0.704 5.174 4.470 -0.000 0.000 0.283 458 S C 0.809 175.346 174.600 -0.104 0.000 1.127 458 S CA -0.054 58.008 58.200 -0.229 0.000 0.863 458 S CB 1.326 64.620 63.200 0.157 0.000 1.121 458 S HN 1.728 nan 8.310 nan 0.000 0.479 459 G N 0.572 109.355 108.800 -0.028 0.000 2.408 459 G HA2 0.218 4.178 3.960 -0.000 0.000 0.215 459 G HA3 0.218 4.178 3.960 -0.000 0.000 0.215 459 G C 0.189 175.063 174.900 -0.043 0.000 1.156 459 G CA 0.228 45.316 45.100 -0.021 0.000 0.793 459 G HN 0.737 nan 8.290 nan 0.000 0.535 460 S N 1.271 116.925 115.700 -0.077 0.000 2.454 460 S HA 0.517 4.987 4.470 -0.000 0.000 0.306 460 S C -2.760 171.667 174.600 -0.289 0.000 1.100 460 S CA -0.945 57.152 58.200 -0.172 0.000 1.087 460 S CB 2.308 65.374 63.200 -0.223 0.000 1.019 460 S HN -0.071 nan 8.310 nan 0.000 0.480 461 P HA 0.096 nan 4.420 nan 0.000 0.261 461 P C -1.071 176.072 177.300 -0.262 0.000 1.173 461 P CA 0.590 63.615 63.100 -0.125 0.000 0.760 461 P CB 0.046 31.713 31.700 -0.054 0.000 0.783 462 F N 4.085 124.102 119.950 0.111 0.000 2.522 462 F HA 0.442 4.969 4.527 -0.000 0.000 0.324 462 F C -1.519 174.356 175.800 0.124 0.000 1.077 462 F CA -2.270 55.796 58.000 0.110 0.000 0.944 462 F CB 0.981 40.058 39.000 0.129 0.000 1.175 462 F HN 0.232 nan 8.300 nan 0.000 0.468 463 P HA 0.018 nan 4.420 nan 0.000 0.272 463 P C -0.909 176.553 177.300 0.271 0.000 1.248 463 P CA -0.307 62.934 63.100 0.235 0.000 0.799 463 P CB 0.436 32.254 31.700 0.198 0.000 0.997 464 N N 0.224 119.064 118.700 0.233 0.000 2.525 464 N HA 0.203 4.943 4.740 -0.000 0.000 0.271 464 N C -0.781 174.925 175.510 0.327 0.000 1.194 464 N CA 0.154 53.360 53.050 0.260 0.000 0.964 464 N CB 0.103 38.697 38.487 0.178 0.000 1.126 464 N HN 0.286 nan 8.380 nan 0.000 0.452 465 F N 0.672 120.722 119.950 0.167 0.000 2.508 465 F HA 0.311 4.838 4.527 -0.000 0.000 0.325 465 F C -0.329 175.564 175.800 0.155 0.000 1.090 465 F CA -1.086 56.991 58.000 0.128 0.000 0.945 465 F CB 1.206 40.273 39.000 0.111 0.000 1.156 465 F HN 0.358 nan 8.300 nan 0.000 0.463 466 E N 6.436 126.263 120.200 -0.622 0.000 2.255 466 E HA 0.351 4.701 4.350 -0.000 0.000 0.245 466 E C -1.655 174.485 176.600 -0.766 0.000 0.909 466 E CA -0.676 55.438 56.400 -0.476 0.000 0.747 466 E CB 1.992 31.565 29.700 -0.212 0.000 1.215 466 E HN 0.453 nan 8.360 nan 0.000 0.424 467 L N 3.649 124.517 121.223 -0.590 0.000 2.319 467 L HA 0.397 4.737 4.340 -0.000 0.000 0.281 467 L C -0.311 176.518 176.870 -0.067 0.000 1.005 467 L CA -0.202 54.406 54.840 -0.387 0.000 0.828 467 L CB 0.789 42.669 42.059 -0.297 0.000 1.227 467 L HN 0.414 nan 8.230 nan 0.000 0.415 468 N N 4.519 123.186 118.700 -0.054 0.000 2.714 468 N HA -0.241 4.499 4.740 -0.000 0.000 0.252 468 N C 0.941 176.514 175.510 0.106 0.000 1.014 468 N CA 1.186 54.246 53.050 0.016 0.000 0.735 468 N CB -1.019 37.471 38.487 0.004 0.000 0.924 468 N HN 1.230 nan 8.380 nan 0.000 0.540 469 G N -0.772 108.056 108.800 0.047 0.000 2.900 469 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.223 469 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.223 469 G C -0.010 174.900 174.900 0.017 0.000 1.293 469 G CA 0.534 45.656 45.100 0.038 0.000 0.792 469 G HN 0.657 nan 8.290 nan 0.000 0.527 470 H N 2.684 121.703 119.070 -0.086 0.000 3.107 470 H HA 0.475 5.031 4.556 -0.000 0.000 0.301 470 H C 0.720 175.913 175.328 -0.225 0.000 0.981 470 H CA 1.211 57.149 56.048 -0.182 0.000 1.443 470 H CB 0.477 30.131 29.762 -0.179 0.000 1.479 470 H HN 0.326 nan 8.280 nan 0.000 0.564 471 T N 4.033 118.449 114.554 -0.230 0.000 2.882 471 T HA 0.359 4.709 4.350 -0.000 0.000 0.287 471 T C -0.473 174.028 174.700 -0.331 0.000 0.992 471 T CA -0.457 61.551 62.100 -0.154 0.000 1.076 471 T CB 0.406 69.213 68.868 -0.101 0.000 0.961 471 T HN 0.356 nan 8.240 nan 0.000 0.490 472 Y N 1.077 121.323 120.300 -0.091 0.000 2.425 472 Y HA 0.450 5.000 4.550 -0.000 0.000 0.344 472 Y C 0.457 176.399 175.900 0.070 0.000 0.969 472 Y CA -1.144 56.885 58.100 -0.118 0.000 1.052 472 Y CB 1.693 39.848 38.460 -0.507 0.000 1.215 472 Y HN 0.423 nan 8.280 nan 0.000 0.451 473 K N 4.819 125.360 120.400 0.236 0.000 2.562 473 K HA 0.284 4.604 4.320 -0.000 0.000 0.206 473 K C -2.849 173.950 176.600 0.331 0.000 1.033 473 K CA -1.893 54.546 56.287 0.253 0.000 1.029 473 K CB 0.889 33.485 32.500 0.161 0.000 1.393 473 K HN 0.326 nan 8.250 nan 0.000 0.539 474 P HA -0.040 nan 4.420 nan 0.000 0.265 474 P C 0.065 177.570 177.300 0.341 0.000 1.193 474 P CA 0.121 63.520 63.100 0.498 0.000 0.765 474 P CB 1.106 33.179 31.700 0.622 0.000 0.823 475 G N 2.750 111.717 108.800 0.278 0.000 2.488 475 G HA2 0.476 4.436 3.960 -0.000 0.000 0.318 475 G HA3 0.476 4.436 3.960 -0.000 0.000 0.318 475 G C -0.978 174.005 174.900 0.138 0.000 1.188 475 G CA -0.672 44.578 45.100 0.250 0.000 0.944 475 G HN 0.505 nan 8.290 nan 0.000 0.495 476 Q N -0.715 119.121 119.800 0.060 0.000 2.312 476 Q HA 0.516 4.856 4.340 -0.000 0.000 0.263 476 Q C 0.245 176.005 176.000 -0.398 0.000 0.995 476 Q CA -0.761 54.991 55.803 -0.085 0.000 0.853 476 Q CB 2.188 30.920 28.738 -0.011 0.000 1.300 476 Q HN 0.570 nan 8.270 nan 0.000 0.448 477 G N 2.467 111.041 108.800 -0.376 0.000 3.343 477 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.264 477 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.264 477 G C -0.264 174.536 174.900 -0.166 0.000 0.884 477 G CA -0.336 44.470 45.100 -0.491 0.000 1.916 477 G HN 0.420 nan 8.290 nan 0.000 0.618 478 N N 0.949 119.607 118.700 -0.071 0.000 2.470 478 N HA 0.034 4.774 4.740 -0.000 0.000 0.268 478 N C 1.026 176.629 175.510 0.154 0.000 1.136 478 N CA -0.428 52.657 53.050 0.058 0.000 0.961 478 N CB 0.811 39.270 38.487 -0.047 0.000 1.067 478 N HN 0.101 nan 8.380 nan 0.000 0.468 479 N N 2.738 121.564 118.700 0.211 0.000 2.272 479 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 479 N C 1.356 177.004 175.510 0.230 0.000 1.014 479 N CA 1.054 54.304 53.050 0.333 0.000 0.870 479 N CB -0.209 38.559 38.487 0.469 0.000 0.975 479 N HN 0.679 nan 8.380 nan 0.000 0.433 480 A N -0.452 122.382 122.820 0.023 0.000 2.139 480 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 480 A C 1.570 178.810 177.584 -0.573 0.000 1.159 480 A CA 0.980 52.684 52.037 -0.555 0.000 0.662 480 A CB -0.840 17.961 19.000 -0.331 0.000 0.796 480 A HN 0.419 nan 8.150 nan 0.000 0.463 481 Y N -1.034 119.149 120.300 -0.195 0.000 2.439 481 Y HA -0.053 4.497 4.550 -0.000 0.000 0.292 481 Y C 2.038 177.871 175.900 -0.111 0.000 1.130 481 Y CA 0.638 58.665 58.100 -0.122 0.000 1.254 481 Y CB 0.138 38.580 38.460 -0.030 0.000 1.000 481 Y HN 0.244 nan 8.280 nan 0.000 0.554 482 I N -1.578 119.016 120.570 0.041 0.000 3.196 482 I HA -0.120 4.050 4.170 -0.000 0.000 0.248 482 I C 2.230 178.348 176.117 0.001 0.000 1.105 482 I CA 0.618 61.960 61.300 0.069 0.000 1.482 482 I CB -1.506 36.627 38.000 0.223 0.000 1.400 482 I HN 0.187 nan 8.210 nan 0.000 0.464 483 F N 2.463 122.483 119.950 0.117 0.000 2.154 483 F HA -0.068 4.459 4.527 -0.000 0.000 0.301 483 F C -0.784 174.939 175.800 -0.128 0.000 1.087 483 F CA 1.101 59.161 58.000 0.101 0.000 1.274 483 F CB -2.855 36.315 39.000 0.284 0.000 1.009 483 F HN 0.083 nan 8.300 nan 0.000 0.485 484 P HA -0.040 nan 4.420 nan 0.000 0.214 484 P C 2.130 179.310 177.300 -0.201 0.000 1.162 484 P CA 2.426 65.323 63.100 -0.338 0.000 0.879 484 P CB -0.503 30.962 31.700 -0.391 0.000 0.786 485 G N -0.455 108.248 108.800 -0.162 0.000 2.422 485 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 485 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 485 G C 1.629 176.465 174.900 -0.106 0.000 1.146 485 G CA 0.647 45.689 45.100 -0.097 0.000 0.769 485 G HN 0.159 nan 8.290 nan 0.000 0.547 486 V N 1.223 121.042 119.914 -0.158 0.000 2.427 486 V HA -0.065 4.055 4.120 -0.000 0.000 0.248 486 V C 3.233 179.218 176.094 -0.181 0.000 1.051 486 V CA 1.859 63.999 62.300 -0.266 0.000 1.048 486 V CB -0.496 31.025 31.823 -0.504 0.000 0.666 486 V HN 0.479 nan 8.190 nan 0.000 0.456 487 A N -0.221 122.537 122.820 -0.103 0.000 1.873 487 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 487 A C 2.133 179.735 177.584 0.031 0.000 1.186 487 A CA 1.848 53.881 52.037 -0.006 0.000 0.616 487 A CB -0.566 18.255 19.000 -0.299 0.000 0.823 487 A HN 0.420 nan 8.150 nan 0.000 0.442 488 L N 0.237 121.461 121.223 0.002 0.000 1.970 488 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 488 L C 2.488 179.413 176.870 0.092 0.000 1.071 488 L CA 2.587 57.465 54.840 0.064 0.000 0.751 488 L CB -1.145 40.937 42.059 0.039 0.000 0.889 488 L HN 0.326 nan 8.230 nan 0.000 0.432 489 G N -2.226 106.634 108.800 0.099 0.000 2.440 489 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 489 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 489 G C 1.450 176.482 174.900 0.220 0.000 1.154 489 G CA 1.303 46.538 45.100 0.225 0.000 0.767 489 G HN 0.461 nan 8.290 nan 0.000 0.552 490 T N 1.160 115.762 114.554 0.079 0.000 2.746 490 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 490 T C 2.369 177.101 174.700 0.052 0.000 1.039 490 T CA 1.051 63.184 62.100 0.056 0.000 1.142 490 T CB -0.108 68.780 68.868 0.034 0.000 0.866 490 T HN 0.279 nan 8.240 nan 0.000 0.444 491 I N 0.694 121.285 120.570 0.035 0.000 2.162 491 I HA -0.078 4.091 4.170 -0.000 0.000 0.238 491 I C 2.293 178.323 176.117 -0.145 0.000 1.076 491 I CA 1.088 62.348 61.300 -0.066 0.000 1.353 491 I CB -0.465 37.503 38.000 -0.053 0.000 1.063 491 I HN 0.147 nan 8.210 nan 0.000 0.408 492 L N -0.171 120.968 121.223 -0.139 0.000 2.081 492 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 492 L C 1.954 178.567 176.870 -0.429 0.000 1.080 492 L CA 1.686 56.342 54.840 -0.306 0.000 0.754 492 L CB -0.555 41.234 42.059 -0.450 0.000 0.893 492 L HN 0.234 nan 8.230 nan 0.000 0.433 493 F N -1.192 118.808 119.950 0.084 0.000 2.678 493 F HA 0.147 4.674 4.527 -0.000 0.000 0.305 493 F C 0.799 176.576 175.800 -0.037 0.000 1.090 493 F CA -0.381 57.646 58.000 0.045 0.000 1.272 493 F CB -0.000 38.997 39.000 -0.004 0.000 1.060 493 F HN -0.001 nan 8.300 nan 0.000 0.576 494 Q N 1.003 120.831 119.800 0.047 0.000 2.451 494 Q HA -0.214 4.126 4.340 -0.000 0.000 0.305 494 Q C -0.221 175.773 176.000 -0.010 0.000 1.345 494 Q CA 0.193 55.995 55.803 -0.002 0.000 0.854 494 Q CB -1.953 26.780 28.738 -0.009 0.000 1.162 494 Q HN 0.469 nan 8.270 nan 0.000 0.440 495 I N 0.506 121.078 120.570 0.003 0.000 2.683 495 I HA -0.114 4.056 4.170 -0.000 0.000 0.286 495 I C 1.869 177.938 176.117 -0.079 0.000 1.175 495 I CA 0.374 61.653 61.300 -0.035 0.000 1.429 495 I CB 0.426 38.413 38.000 -0.020 0.000 1.371 495 I HN 0.283 nan 8.210 nan 0.000 0.569 496 R N 4.331 124.752 120.500 -0.131 0.000 2.075 496 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 496 R C 0.110 176.036 176.300 -0.624 0.000 1.126 496 R CA 1.007 56.905 56.100 -0.336 0.000 0.963 496 R CB -0.100 30.024 30.300 -0.293 0.000 0.858 496 R HN 0.601 nan 8.270 nan 0.000 0.435 497 H N -1.286 117.808 119.070 0.040 0.000 2.930 497 H HA 0.290 4.846 4.556 -0.000 0.000 0.371 497 H C -1.205 174.148 175.328 0.041 0.000 1.169 497 H CA -0.799 55.284 56.048 0.059 0.000 1.157 497 H CB 2.197 31.991 29.762 0.052 0.000 1.789 497 H HN -0.211 nan 8.280 nan 0.000 0.547 498 V N 3.636 123.660 119.914 0.182 0.000 2.328 498 V HA 0.136 4.256 4.120 -0.000 0.000 0.278 498 V C -0.202 175.976 176.094 0.140 0.000 1.021 498 V CA -0.591 61.738 62.300 0.049 0.000 0.838 498 V CB 0.985 32.770 31.823 -0.062 0.000 0.999 498 V HN 0.754 nan 8.190 nan 0.000 0.447 499 D N 3.060 123.511 120.400 0.085 0.000 2.506 499 D HA 0.321 4.961 4.640 -0.000 0.000 0.254 499 D C 0.875 177.269 176.300 0.156 0.000 1.089 499 D CA -0.894 53.185 54.000 0.132 0.000 1.050 499 D CB 0.540 41.396 40.800 0.094 0.000 1.221 499 D HN 0.108 nan 8.370 nan 0.000 0.589 500 N N 0.227 118.966 118.700 0.064 0.000 2.094 500 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 500 N C 0.896 176.299 175.510 -0.178 0.000 1.023 500 N CA 1.299 54.298 53.050 -0.084 0.000 0.857 500 N CB -0.312 37.898 38.487 -0.463 0.000 1.013 500 N HN 0.526 nan 8.380 nan 0.000 0.426 501 D N 1.204 121.481 120.400 -0.205 0.000 2.133 501 D HA -0.142 4.498 4.640 -0.000 0.000 0.195 501 D C 2.169 178.279 176.300 -0.316 0.000 0.997 501 D CA 0.791 54.681 54.000 -0.183 0.000 0.840 501 D CB -0.143 40.636 40.800 -0.035 0.000 0.947 501 D HN 0.290 nan 8.370 nan 0.000 0.452 502 L N -0.270 120.755 121.223 -0.330 0.000 2.093 502 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 502 L C 2.503 179.149 176.870 -0.374 0.000 1.085 502 L CA 0.775 55.354 54.840 -0.435 0.000 0.755 502 L CB -0.439 41.360 42.059 -0.434 0.000 0.904 502 L HN -0.049 nan 8.230 nan 0.000 0.435 503 F N -0.747 119.081 119.950 -0.202 0.000 2.186 503 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 503 F C 2.241 177.973 175.800 -0.113 0.000 1.090 503 F CA 0.788 58.700 58.000 -0.148 0.000 1.307 503 F CB -0.279 38.652 39.000 -0.116 0.000 1.019 503 F HN -0.029 nan 8.300 nan 0.000 0.489 504 L N -0.168 121.075 121.223 0.033 0.000 2.056 504 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 504 L C 2.279 179.131 176.870 -0.029 0.000 1.078 504 L CA 1.362 56.206 54.840 0.007 0.000 0.749 504 L CB -1.011 41.040 42.059 -0.014 0.000 0.901 504 L HN 0.189 nan 8.230 nan 0.000 0.433 505 L N -1.136 120.016 121.223 -0.118 0.000 2.046 505 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 505 L C 2.423 179.243 176.870 -0.083 0.000 1.077 505 L CA 1.517 56.277 54.840 -0.134 0.000 0.747 505 L CB -0.311 41.586 42.059 -0.270 0.000 0.896 505 L HN 0.246 nan 8.230 nan 0.000 0.432 506 A N -0.097 122.668 122.820 -0.092 0.000 1.898 506 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 506 A C 2.444 180.039 177.584 0.018 0.000 1.181 506 A CA 1.560 53.567 52.037 -0.050 0.000 0.620 506 A CB -0.912 18.043 19.000 -0.076 0.000 0.819 506 A HN 0.591 nan 8.150 nan 0.000 0.442 507 A N -0.008 122.841 122.820 0.048 0.000 1.902 507 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 507 A C 2.098 179.712 177.584 0.050 0.000 1.181 507 A CA 1.786 53.869 52.037 0.077 0.000 0.623 507 A CB -0.440 18.618 19.000 0.095 0.000 0.818 507 A HN 0.542 nan 8.150 nan 0.000 0.443 508 K N -0.542 119.876 120.400 0.030 0.000 2.097 508 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 508 K C 2.141 178.752 176.600 0.019 0.000 1.049 508 K CA 1.588 57.889 56.287 0.024 0.000 0.933 508 K CB -0.100 32.411 32.500 0.018 0.000 0.717 508 K HN 0.321 nan 8.250 nan 0.000 0.442 509 K N 1.276 121.685 120.400 0.014 0.000 2.057 509 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 509 K C 1.800 178.416 176.600 0.027 0.000 1.050 509 K CA 1.029 57.326 56.287 0.016 0.000 0.935 509 K CB -0.273 32.232 32.500 0.007 0.000 0.715 509 K HN -0.104 nan 8.250 nan 0.000 0.439 510 V N 0.991 120.928 119.914 0.039 0.000 2.295 510 V HA -0.253 3.866 4.120 -0.000 0.000 0.246 510 V C 2.336 178.437 176.094 0.012 0.000 1.049 510 V CA 1.996 64.324 62.300 0.046 0.000 1.024 510 V CB -0.935 30.932 31.823 0.073 0.000 0.648 510 V HN 0.483 nan 8.190 nan 0.000 0.447 511 A N 0.749 123.571 122.820 0.004 0.000 1.883 511 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 511 A C 2.551 180.130 177.584 -0.009 0.000 1.186 511 A CA 2.474 54.498 52.037 -0.021 0.000 0.624 511 A CB -0.938 18.057 19.000 -0.008 0.000 0.822 511 A HN 0.711 nan 8.150 nan 0.000 0.444 512 S N -1.443 114.262 115.700 0.007 0.000 2.469 512 S HA -0.160 4.310 4.470 -0.000 0.000 0.238 512 S C 1.555 176.163 174.600 0.014 0.000 0.998 512 S CA 1.389 59.596 58.200 0.012 0.000 0.957 512 S CB -1.091 62.119 63.200 0.017 0.000 0.764 512 S HN 0.536 nan 8.310 nan 0.000 0.514 513 C N 1.525 120.835 119.300 0.017 0.000 2.697 513 C HA 0.422 4.882 4.460 -0.000 0.000 0.267 513 C C 0.810 175.813 174.990 0.023 0.000 1.278 513 C CA -0.694 58.339 59.018 0.026 0.000 1.708 513 C CB -1.188 26.577 27.740 0.041 0.000 1.860 513 C HN 0.425 nan 8.230 nan 0.000 0.589 514 V N 3.254 123.171 119.914 0.005 0.000 2.446 514 V HA 0.182 4.302 4.120 -0.000 0.000 0.276 514 V C 1.012 177.111 176.094 0.009 0.000 1.030 514 V CA 0.382 62.682 62.300 0.001 0.000 1.033 514 V CB 0.255 32.059 31.823 -0.031 0.000 0.993 514 V HN 0.599 nan 8.190 nan 0.000 0.477 515 T N 2.087 116.652 114.554 0.018 0.000 2.828 515 T HA 0.244 4.594 4.350 -0.000 0.000 0.290 515 T C 0.989 175.695 174.700 0.011 0.000 1.019 515 T CA -0.655 61.454 62.100 0.016 0.000 1.031 515 T CB 1.250 70.130 68.868 0.019 0.000 1.001 515 T HN 0.587 nan 8.240 nan 0.000 0.531 516 E N 0.732 120.937 120.200 0.007 0.000 2.106 516 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 516 E C 1.743 178.342 176.600 -0.002 0.000 0.984 516 E CA 0.978 57.379 56.400 0.003 0.000 0.806 516 E CB -0.338 29.363 29.700 0.001 0.000 0.750 516 E HN 0.685 nan 8.360 nan 0.000 0.458 517 D N 0.588 120.987 120.400 -0.001 0.000 2.218 517 D HA -0.101 4.539 4.640 -0.000 0.000 0.204 517 D C 1.949 178.247 176.300 -0.004 0.000 0.976 517 D CA 1.433 55.429 54.000 -0.007 0.000 0.853 517 D CB 0.109 40.908 40.800 -0.002 0.000 0.939 517 D HN 0.209 nan 8.370 nan 0.000 0.481 518 S N -0.236 115.470 115.700 0.010 0.000 2.456 518 S HA -0.020 4.450 4.470 -0.000 0.000 0.224 518 S C 1.925 176.538 174.600 0.021 0.000 1.035 518 S CA -0.191 58.023 58.200 0.023 0.000 0.940 518 S CB -0.153 63.072 63.200 0.042 0.000 0.799 518 S HN 0.068 nan 8.310 nan 0.000 0.508 519 L N 2.851 124.083 121.223 0.014 0.000 2.201 519 L HA 0.087 4.427 4.340 -0.000 0.000 0.212 519 L C 2.325 179.200 176.870 0.007 0.000 1.105 519 L CA 1.733 56.583 54.840 0.018 0.000 0.775 519 L CB -0.529 41.538 42.059 0.013 0.000 0.913 519 L HN 0.548 nan 8.230 nan 0.000 0.440 520 K N -2.034 118.355 120.400 -0.017 0.000 2.486 520 K HA 0.041 4.361 4.320 -0.000 0.000 0.194 520 K C 0.703 177.243 176.600 -0.100 0.000 1.033 520 K CA 0.925 57.183 56.287 -0.048 0.000 1.004 520 K CB -0.076 32.391 32.500 -0.055 0.000 0.798 520 K HN 0.221 nan 8.250 nan 0.000 0.495 521 V N 1.186 121.055 119.914 -0.076 0.000 3.121 521 V HA 0.258 4.378 4.120 -0.000 0.000 0.344 521 V C 0.863 176.930 176.094 -0.046 0.000 1.390 521 V CA 0.018 62.244 62.300 -0.122 0.000 1.177 521 V CB 0.038 31.826 31.823 -0.058 0.000 1.163 521 V HN 0.567 nan 8.190 nan 0.000 0.484 522 G N 1.753 110.562 108.800 0.015 0.000 2.225 522 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.267 522 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.267 522 G C 0.298 175.328 174.900 0.218 0.000 1.024 522 G CA 0.599 45.802 45.100 0.172 0.000 0.784 522 G HN 0.573 nan 8.290 nan 0.000 0.507 523 R N -0.223 120.358 120.500 0.135 0.000 2.229 523 R HA 0.501 4.841 4.340 -0.000 0.000 0.332 523 R C 1.200 177.535 176.300 0.059 0.000 0.989 523 R CA -0.030 56.149 56.100 0.132 0.000 0.842 523 R CB 1.035 31.405 30.300 0.117 0.000 1.119 523 R HN 0.561 nan 8.270 nan 0.000 0.456 524 V N 1.747 121.661 119.914 0.000 0.000 3.177 524 V HA 0.394 4.514 4.120 -0.000 0.000 0.342 524 V C -0.829 174.955 176.094 -0.517 0.000 1.379 524 V CA -0.281 61.902 62.300 -0.195 0.000 1.191 524 V CB -0.755 30.950 31.823 -0.195 0.000 1.167 524 V HN 0.604 nan 8.190 nan 0.000 0.471 525 Y N -0.553 119.703 120.300 -0.072 0.000 2.534 525 Y HA 0.678 5.228 4.550 -0.000 0.000 0.345 525 Y C -2.656 173.163 175.900 -0.135 0.000 1.031 525 Y CA -2.407 55.552 58.100 -0.235 0.000 1.022 525 Y CB 2.581 40.824 38.460 -0.362 0.000 1.292 525 Y HN 0.025 nan 8.280 nan 0.000 0.459 526 P HA 0.102 nan 4.420 nan 0.000 0.273 526 P C -1.154 176.309 177.300 0.271 0.000 1.250 526 P CA -0.445 62.733 63.100 0.131 0.000 0.793 526 P CB 0.549 32.333 31.700 0.140 0.000 1.011 527 Q N 0.371 120.296 119.800 0.208 0.000 2.352 527 Q HA 0.119 4.459 4.340 -0.000 0.000 0.260 527 Q C 1.249 177.367 176.000 0.198 0.000 0.976 527 Q CA -0.218 55.701 55.803 0.193 0.000 0.881 527 Q CB 0.359 29.165 28.738 0.115 0.000 1.235 527 Q HN 0.375 nan 8.270 nan 0.000 0.419 528 L N 2.652 123.955 121.223 0.133 0.000 2.081 528 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 528 L C 2.217 179.077 176.870 -0.016 0.000 1.080 528 L CA 1.773 56.602 54.840 -0.017 0.000 0.754 528 L CB -0.651 41.368 42.059 -0.067 0.000 0.893 528 L HN 0.690 nan 8.230 nan 0.000 0.433 529 K N -0.663 119.746 120.400 0.014 0.000 2.519 529 K HA -0.142 4.178 4.320 -0.000 0.000 0.196 529 K C 1.193 177.798 176.600 0.010 0.000 1.041 529 K CA 1.037 57.324 56.287 0.000 0.000 0.954 529 K CB -0.049 32.452 32.500 0.002 0.000 0.774 529 K HN 0.235 nan 8.250 nan 0.000 0.480 530 E N 0.875 121.098 120.200 0.039 0.000 2.474 530 E HA 0.128 4.478 4.350 -0.000 0.000 0.195 530 E C 1.629 178.255 176.600 0.043 0.000 1.039 530 E CA 0.051 56.480 56.400 0.048 0.000 0.881 530 E CB 0.022 29.770 29.700 0.079 0.000 0.970 530 E HN 0.417 nan 8.360 nan 0.000 0.486 531 I N 0.530 121.109 120.570 0.014 0.000 2.335 531 I HA -0.286 3.884 4.170 -0.000 0.000 0.251 531 I C 2.417 178.517 176.117 -0.028 0.000 1.129 531 I CA 1.042 62.331 61.300 -0.019 0.000 1.402 531 I CB -0.164 37.757 38.000 -0.131 0.000 1.069 531 I HN 0.029 nan 8.210 nan 0.000 0.424 532 R N 0.459 120.944 120.500 -0.025 0.000 2.073 532 R HA -0.225 4.115 4.340 -0.000 0.000 0.234 532 R C 2.309 178.605 176.300 -0.007 0.000 1.134 532 R CA 1.717 57.804 56.100 -0.020 0.000 0.952 532 R CB -0.238 30.053 30.300 -0.016 0.000 0.850 532 R HN 0.222 nan 8.270 nan 0.000 0.433 533 E N 1.013 121.216 120.200 0.004 0.000 2.072 533 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 533 E C 1.769 178.382 176.600 0.020 0.000 0.985 533 E CA 1.208 57.616 56.400 0.014 0.000 0.801 533 E CB -0.161 29.550 29.700 0.019 0.000 0.750 533 E HN 0.270 nan 8.360 nan 0.000 0.452 534 I N 0.123 120.710 120.570 0.028 0.000 2.208 534 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 534 I C 2.287 178.414 176.117 0.016 0.000 1.097 534 I CA 1.214 62.535 61.300 0.036 0.000 1.363 534 I CB -0.331 37.710 38.000 0.069 0.000 1.051 534 I HN 0.064 nan 8.210 nan 0.000 0.413 535 S N 0.877 116.575 115.700 -0.004 0.000 2.370 535 S HA -0.158 4.312 4.470 -0.000 0.000 0.226 535 S C 1.993 176.594 174.600 0.002 0.000 1.033 535 S CA 1.384 59.570 58.200 -0.023 0.000 1.011 535 S CB -0.315 62.857 63.200 -0.046 0.000 0.852 535 S HN 0.337 nan 8.310 nan 0.000 0.457 536 I N 1.426 122.004 120.570 0.013 0.000 2.179 536 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 536 I C 2.597 178.741 176.117 0.045 0.000 1.088 536 I CA 0.974 62.293 61.300 0.032 0.000 1.357 536 I CB -0.336 37.680 38.000 0.026 0.000 1.051 536 I HN 0.234 nan 8.210 nan 0.000 0.409 537 Q N 0.449 120.268 119.800 0.033 0.000 2.170 537 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 537 Q C 2.281 178.294 176.000 0.022 0.000 0.976 537 Q CA 1.571 57.393 55.803 0.032 0.000 0.858 537 Q CB -0.281 28.473 28.738 0.028 0.000 0.907 537 Q HN 0.585 nan 8.270 nan 0.000 0.433 538 I N 0.388 120.964 120.570 0.011 0.000 2.252 538 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 538 I C 2.300 178.413 176.117 -0.007 0.000 1.102 538 I CA 0.871 62.163 61.300 -0.014 0.000 1.385 538 I CB -0.404 37.576 38.000 -0.034 0.000 1.064 538 I HN 0.062 nan 8.210 nan 0.000 0.414 539 A N 0.576 123.419 122.820 0.038 0.000 1.883 539 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 539 A C 2.422 180.072 177.584 0.110 0.000 1.186 539 A CA 1.939 54.048 52.037 0.120 0.000 0.624 539 A CB -1.028 18.086 19.000 0.190 0.000 0.822 539 A HN 0.240 nan 8.150 nan 0.000 0.444 540 V N -0.147 119.823 119.914 0.093 0.000 2.343 540 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 540 V C 2.600 178.664 176.094 -0.051 0.000 1.051 540 V CA 2.432 64.753 62.300 0.035 0.000 1.036 540 V CB -0.731 31.135 31.823 0.072 0.000 0.654 540 V HN 0.682 nan 8.190 nan 0.000 0.451 541 E N 0.053 120.240 120.200 -0.022 0.000 2.077 541 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 541 E C 2.141 178.716 176.600 -0.041 0.000 0.989 541 E CA 1.653 58.040 56.400 -0.021 0.000 0.800 541 E CB -0.333 29.357 29.700 -0.016 0.000 0.746 541 E HN 0.543 nan 8.360 nan 0.000 0.452 542 M N -0.523 119.026 119.600 -0.085 0.000 2.159 542 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 542 M C 2.230 178.433 176.300 -0.162 0.000 1.063 542 M CA 1.495 56.732 55.300 -0.105 0.000 1.110 542 M CB -0.236 32.296 32.600 -0.114 0.000 1.374 542 M HN 0.216 nan 8.290 nan 0.000 0.411 543 A N 0.887 123.482 122.820 -0.375 0.000 1.858 543 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 543 A C 2.096 179.595 177.584 -0.141 0.000 1.190 543 A CA 1.800 53.463 52.037 -0.622 0.000 0.617 543 A CB -0.566 17.689 19.000 -1.241 0.000 0.827 543 A HN 0.416 nan 8.150 nan 0.000 0.443 544 K N -1.630 118.739 120.400 -0.052 0.000 2.020 544 K HA -0.243 4.077 4.320 -0.000 0.000 0.212 544 K C 2.035 178.675 176.600 0.067 0.000 1.050 544 K CA 2.056 58.371 56.287 0.046 0.000 0.929 544 K CB -0.533 31.988 32.500 0.036 0.000 0.714 544 K HN 0.608 nan 8.250 nan 0.000 0.443 545 Y N 1.223 121.489 120.300 -0.058 0.000 2.145 545 Y HA -0.312 4.238 4.550 -0.000 0.000 0.286 545 Y C 2.334 178.196 175.900 -0.064 0.000 1.145 545 Y CA 1.430 59.501 58.100 -0.048 0.000 1.148 545 Y CB -0.277 38.148 38.460 -0.059 0.000 0.981 545 Y HN 0.097 nan 8.280 nan 0.000 0.507 546 C N -0.776 118.548 119.300 0.041 0.000 2.450 546 C HA -0.127 4.333 4.460 -0.000 0.000 0.279 546 C C 2.404 177.273 174.990 -0.203 0.000 1.335 546 C CA 0.768 59.726 59.018 -0.100 0.000 1.749 546 C CB -1.605 26.037 27.740 -0.164 0.000 1.963 546 C HN 0.631 nan 8.230 nan 0.000 0.501 547 Y N 1.317 121.575 120.300 -0.070 0.000 2.293 547 Y HA -0.141 4.409 4.550 -0.000 0.000 0.291 547 Y C 2.504 178.363 175.900 -0.067 0.000 1.137 547 Y CA 1.279 59.348 58.100 -0.052 0.000 1.202 547 Y CB -0.204 38.223 38.460 -0.054 0.000 0.990 547 Y HN 0.320 nan 8.280 nan 0.000 0.537 548 K N 0.307 120.716 120.400 0.014 0.000 2.057 548 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 548 K C 1.080 177.623 176.600 -0.097 0.000 1.049 548 K CA 1.706 57.960 56.287 -0.056 0.000 0.931 548 K CB -0.386 32.036 32.500 -0.130 0.000 0.714 548 K HN 0.601 nan 8.250 nan 0.000 0.440 549 N N -0.771 117.832 118.700 -0.163 0.000 2.251 549 N HA 0.054 4.794 4.740 -0.000 0.000 0.217 549 N C 0.322 175.794 175.510 -0.063 0.000 1.124 549 N CA 0.131 53.103 53.050 -0.131 0.000 0.843 549 N CB 0.746 39.114 38.487 -0.198 0.000 1.024 549 N HN 0.061 nan 8.380 nan 0.000 0.501 550 G N 1.256 110.034 108.800 -0.037 0.000 2.338 550 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.296 550 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.296 550 G C 0.632 175.515 174.900 -0.028 0.000 1.040 550 G CA 0.944 46.039 45.100 -0.008 0.000 1.004 550 G HN 0.603 nan 8.290 nan 0.000 0.509 551 T N -3.956 110.558 114.554 -0.066 0.000 3.010 551 T HA 0.639 4.989 4.350 -0.000 0.000 0.257 551 T C 1.177 175.817 174.700 -0.099 0.000 1.020 551 T CA 1.086 63.158 62.100 -0.046 0.000 0.938 551 T CB 0.812 69.681 68.868 0.001 0.000 1.049 551 T HN 1.571 nan 8.240 nan 0.000 0.522 552 A N 1.579 124.269 122.820 -0.217 0.000 2.309 552 A HA 0.574 4.894 4.320 -0.000 0.000 0.290 552 A C 0.859 178.365 177.584 -0.129 0.000 1.206 552 A CA -0.602 51.258 52.037 -0.294 0.000 0.850 552 A CB 0.042 18.527 19.000 -0.859 0.000 1.118 552 A HN 0.262 nan 8.150 nan 0.000 0.523 553 N N 0.883 119.564 118.700 -0.031 0.000 2.424 553 N HA 0.021 4.761 4.740 -0.000 0.000 0.178 553 N C 0.404 175.988 175.510 0.124 0.000 1.060 553 N CA 0.011 53.083 53.050 0.038 0.000 0.901 553 N CB -0.144 38.347 38.487 0.006 0.000 0.979 553 N HN 0.660 nan 8.380 nan 0.000 0.451 554 L N 1.537 122.849 121.223 0.148 0.000 2.534 554 L HA 0.090 4.430 4.340 -0.000 0.000 0.271 554 L C -1.026 176.038 176.870 0.323 0.000 1.178 554 L CA 0.252 55.209 54.840 0.196 0.000 0.907 554 L CB -0.458 41.716 42.059 0.191 0.000 1.164 554 L HN 0.115 nan 8.230 nan 0.000 0.482 555 Y N 7.502 127.863 120.300 0.102 0.000 2.376 555 Y HA 0.725 5.275 4.550 -0.000 0.000 0.340 555 Y C -2.219 173.702 175.900 0.034 0.000 0.965 555 Y CA -1.885 56.269 58.100 0.089 0.000 1.078 555 Y CB 0.996 39.496 38.460 0.067 0.000 1.193 555 Y HN 0.709 nan 8.280 nan 0.000 0.452 556 P HA 0.230 nan 4.420 nan 0.000 0.284 556 P C -1.417 175.713 177.300 -0.283 0.000 1.287 556 P CA -0.832 61.852 63.100 -0.693 0.000 0.824 556 P CB 1.201 32.400 31.700 -0.835 0.000 1.180 557 Q N 1.293 120.880 119.800 -0.355 0.000 2.274 557 Q HA 0.105 4.445 4.340 -0.000 0.000 0.280 557 Q C -1.743 174.042 176.000 -0.358 0.000 1.047 557 Q CA -1.304 54.106 55.803 -0.655 0.000 0.907 557 Q CB 0.087 28.119 28.738 -1.176 0.000 1.171 557 Q HN 0.236 nan 8.270 nan 0.000 0.381 558 P HA -0.088 nan 4.420 nan 0.000 0.268 558 P C -0.064 177.221 177.300 -0.025 0.000 1.204 558 P CA 0.270 63.283 63.100 -0.146 0.000 0.768 558 P CB 0.802 32.293 31.700 -0.348 0.000 0.842 559 E N 1.612 121.860 120.200 0.080 0.000 2.130 559 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 559 E C 0.096 176.770 176.600 0.122 0.000 0.998 559 E CA 1.109 57.551 56.400 0.070 0.000 0.806 559 E CB 0.160 29.896 29.700 0.060 0.000 0.738 559 E HN 0.394 nan 8.360 nan 0.000 0.459 560 D N -0.366 120.193 120.400 0.264 0.000 2.408 560 D HA 0.092 4.732 4.640 -0.000 0.000 0.261 560 D C 1.189 177.627 176.300 0.231 0.000 1.190 560 D CA -0.212 53.936 54.000 0.247 0.000 0.910 560 D CB 0.718 41.713 40.800 0.325 0.000 1.097 560 D HN 0.141 nan 8.370 nan 0.000 0.522 561 L N 1.978 123.306 121.223 0.175 0.000 1.997 561 L HA -0.212 4.128 4.340 -0.000 0.000 0.216 561 L C 2.323 179.349 176.870 0.260 0.000 1.074 561 L CA 1.498 56.486 54.840 0.248 0.000 0.763 561 L CB -0.218 41.936 42.059 0.157 0.000 0.890 561 L HN 0.468 nan 8.230 nan 0.000 0.434 562 E N 0.281 120.587 120.200 0.176 0.000 2.077 562 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 562 E C 2.207 178.885 176.600 0.130 0.000 0.989 562 E CA 1.304 57.789 56.400 0.141 0.000 0.800 562 E CB 0.136 29.900 29.700 0.107 0.000 0.746 562 E HN 0.365 nan 8.360 nan 0.000 0.452 563 K N -0.386 120.118 120.400 0.174 0.000 2.057 563 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 563 K C 2.222 178.876 176.600 0.091 0.000 1.050 563 K CA 1.374 57.789 56.287 0.214 0.000 0.935 563 K CB -0.432 32.304 32.500 0.393 0.000 0.715 563 K HN 0.233 nan 8.250 nan 0.000 0.439 564 Y N 2.112 122.230 120.300 -0.304 0.000 2.097 564 Y HA -0.285 4.265 4.550 -0.000 0.000 0.282 564 Y C 2.013 177.767 175.900 -0.244 0.000 1.152 564 Y CA 1.256 58.945 58.100 -0.686 0.000 1.136 564 Y CB -0.611 37.419 38.460 -0.718 0.000 0.975 564 Y HN -0.250 nan 8.280 nan 0.000 0.498 565 V N 1.224 120.991 119.914 -0.245 0.000 2.287 565 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 565 V C 2.474 178.467 176.094 -0.169 0.000 1.053 565 V CA 2.428 64.579 62.300 -0.248 0.000 1.027 565 V CB -0.649 31.199 31.823 0.042 0.000 0.646 565 V HN 0.371 nan 8.190 nan 0.000 0.447 566 R N -0.034 120.429 120.500 -0.063 0.000 2.193 566 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 566 R C 2.177 178.453 176.300 -0.038 0.000 1.110 566 R CA 1.271 57.356 56.100 -0.025 0.000 0.988 566 R CB -0.385 29.932 30.300 0.028 0.000 0.871 566 R HN 0.549 nan 8.270 nan 0.000 0.458 567 A N 0.205 122.986 122.820 -0.064 0.000 2.132 567 A HA -0.022 4.298 4.320 -0.000 0.000 0.213 567 A C 1.790 179.311 177.584 -0.105 0.000 1.154 567 A CA 0.477 52.493 52.037 -0.034 0.000 0.753 567 A CB 0.189 19.221 19.000 0.053 0.000 0.826 567 A HN 0.106 nan 8.150 nan 0.000 0.469 568 Q N -0.040 119.633 119.800 -0.213 0.000 2.250 568 Q HA 0.056 4.396 4.340 -0.000 0.000 0.200 568 Q C 1.145 177.076 176.000 -0.114 0.000 0.941 568 Q CA 0.925 56.612 55.803 -0.194 0.000 0.872 568 Q CB -0.631 27.883 28.738 -0.374 0.000 0.965 568 Q HN 0.604 nan 8.270 nan 0.000 0.480 569 V N -0.591 119.263 119.914 -0.100 0.000 2.999 569 V HA 0.007 4.127 4.120 -0.000 0.000 0.307 569 V C 0.322 176.385 176.094 -0.052 0.000 1.084 569 V CA -0.852 61.411 62.300 -0.062 0.000 1.155 569 V CB -0.220 31.579 31.823 -0.040 0.000 0.975 569 V HN 0.151 nan 8.190 nan 0.000 0.490 570 Y N 3.821 124.001 120.300 -0.199 0.000 2.712 570 Y HA 0.249 4.799 4.550 -0.000 0.000 0.333 570 Y C 0.417 176.229 175.900 -0.145 0.000 1.225 570 Y CA 0.289 58.260 58.100 -0.214 0.000 1.499 570 Y CB 0.333 38.626 38.460 -0.278 0.000 1.288 570 Y HN 1.030 nan 8.280 nan 0.000 0.575 571 N N 3.084 121.355 118.700 -0.716 0.000 2.479 571 N HA 0.121 4.861 4.740 -0.000 0.000 0.261 571 N C 0.292 175.297 175.510 -0.842 0.000 0.979 571 N CA 0.018 52.726 53.050 -0.570 0.000 0.930 571 N CB 1.080 39.376 38.487 -0.319 0.000 1.172 571 N HN 0.681 nan 8.380 nan 0.000 0.499 572 T N -0.580 113.629 114.554 -0.576 0.000 3.098 572 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 572 T C 0.377 174.900 174.700 -0.296 0.000 1.145 572 T CA 0.583 62.451 62.100 -0.386 0.000 1.092 572 T CB -0.200 68.584 68.868 -0.140 0.000 0.908 572 T HN 0.359 nan 8.240 nan 0.000 0.526 573 E N 1.266 121.303 120.200 -0.272 0.000 2.366 573 E HA 0.199 4.549 4.350 -0.000 0.000 0.266 573 E C -0.455 176.077 176.600 -0.113 0.000 1.051 573 E CA -0.463 55.809 56.400 -0.214 0.000 0.884 573 E CB 0.455 30.075 29.700 -0.134 0.000 1.006 573 E HN 0.586 nan 8.360 nan 0.000 0.417 574 Y N 1.096 121.350 120.300 -0.077 0.000 2.597 574 Y HA -0.028 4.522 4.550 -0.000 0.000 0.336 574 Y C 1.258 177.122 175.900 -0.060 0.000 1.216 574 Y CA 0.233 58.289 58.100 -0.073 0.000 1.463 574 Y CB 0.676 39.091 38.460 -0.074 0.000 1.303 574 Y HN 0.317 nan 8.280 nan 0.000 0.576 575 E N 1.556 121.828 120.200 0.121 0.000 2.249 575 E HA 0.183 4.533 4.350 -0.000 0.000 0.263 575 E C -0.889 175.736 176.600 0.042 0.000 0.950 575 E CA -1.112 55.311 56.400 0.039 0.000 0.827 575 E CB 1.152 30.845 29.700 -0.011 0.000 1.220 575 E HN 0.481 nan 8.360 nan 0.000 0.411 576 E N 1.447 121.659 120.200 0.020 0.000 2.360 576 E HA 0.060 4.410 4.350 -0.000 0.000 0.269 576 E C 0.325 176.947 176.600 0.037 0.000 1.022 576 E CA 0.270 56.695 56.400 0.042 0.000 0.887 576 E CB 0.865 30.586 29.700 0.034 0.000 0.990 576 E HN 0.447 nan 8.360 nan 0.000 0.426 577 L N 2.812 124.077 121.223 0.069 0.000 2.664 577 L HA 0.295 4.635 4.340 -0.000 0.000 0.233 577 L C 0.654 177.545 176.870 0.035 0.000 1.113 577 L CA 0.064 54.943 54.840 0.064 0.000 0.896 577 L CB 0.298 42.426 42.059 0.115 0.000 1.163 577 L HN 0.331 nan 8.230 nan 0.000 0.497 578 I N 0.351 120.932 120.570 0.018 0.000 2.353 578 I HA 0.104 4.274 4.170 -0.000 0.000 0.293 578 I C 0.019 176.131 176.117 -0.007 0.000 0.992 578 I CA -0.567 60.713 61.300 -0.034 0.000 1.268 578 I CB 1.237 39.167 38.000 -0.117 0.000 1.387 578 I HN 0.056 nan 8.210 nan 0.000 0.478 579 N N 3.883 122.577 118.700 -0.010 0.000 2.353 579 N HA 0.161 4.901 4.740 -0.000 0.000 0.248 579 N C -0.183 175.359 175.510 0.053 0.000 1.240 579 N CA 0.124 53.196 53.050 0.037 0.000 0.862 579 N CB 0.505 38.999 38.487 0.011 0.000 1.086 579 N HN 0.712 nan 8.380 nan 0.000 0.453 580 A N 1.424 124.332 122.820 0.147 0.000 2.354 580 A HA 0.447 4.767 4.320 -0.000 0.000 0.269 580 A C 0.397 178.053 177.584 0.120 0.000 1.109 580 A CA -0.538 51.596 52.037 0.162 0.000 0.800 580 A CB 0.122 19.282 19.000 0.267 0.000 1.045 580 A HN 0.663 nan 8.150 nan 0.000 0.489 581 T N -0.371 114.224 114.554 0.069 0.000 2.925 581 T HA 0.734 5.084 4.350 -0.000 0.000 0.285 581 T C -0.654 174.101 174.700 0.092 0.000 1.021 581 T CA -0.421 61.670 62.100 -0.016 0.000 1.042 581 T CB 1.067 69.889 68.868 -0.076 0.000 1.037 581 T HN 1.244 nan 8.240 nan 0.000 0.481 582 Y N -1.514 118.770 120.300 -0.028 0.000 2.558 582 Y HA 0.631 5.181 4.550 -0.000 0.000 0.333 582 Y C -1.207 174.714 175.900 0.035 0.000 1.125 582 Y CA -1.500 56.600 58.100 0.001 0.000 1.039 582 Y CB 0.579 39.044 38.460 0.009 0.000 1.331 582 Y HN 0.477 nan 8.280 nan 0.000 0.456 583 D N 1.405 121.949 120.400 0.240 0.000 2.344 583 D HA 0.127 4.767 4.640 -0.000 0.000 0.244 583 D C -0.933 175.661 176.300 0.490 0.000 1.134 583 D CA 0.554 54.696 54.000 0.237 0.000 0.930 583 D CB 0.790 41.715 40.800 0.208 0.000 1.175 583 D HN 0.558 nan 8.370 nan 0.000 0.437 584 W N 0.070 121.432 121.300 0.104 0.000 2.762 584 W HA 0.353 5.013 4.660 -0.000 0.000 0.355 584 W C -2.004 174.532 176.519 0.029 0.000 1.124 584 W CA -2.285 55.114 57.345 0.090 0.000 1.141 584 W CB -0.174 29.304 29.460 0.030 0.000 1.432 584 W HN 0.110 nan 8.180 nan 0.000 0.586 585 P HA -0.068 nan 4.420 nan 0.000 0.264 585 P C 0.932 178.249 177.300 0.028 0.000 1.193 585 P CA 0.609 63.650 63.100 -0.100 0.000 0.763 585 P CB 0.565 32.167 31.700 -0.163 0.000 0.810 586 E N 3.002 123.208 120.200 0.010 0.000 2.136 586 E HA -0.403 3.947 4.350 -0.000 0.000 0.208 586 E C 1.498 178.129 176.600 0.053 0.000 1.035 586 E CA 1.718 58.149 56.400 0.052 0.000 0.838 586 E CB -0.033 29.691 29.700 0.040 0.000 0.748 586 E HN 0.328 nan 8.360 nan 0.000 0.459 587 Q N 0.472 120.288 119.800 0.026 0.000 2.224 587 Q HA -0.130 4.210 4.340 -0.000 0.000 0.203 587 Q C 1.065 177.096 176.000 0.050 0.000 0.970 587 Q CA 1.743 57.563 55.803 0.029 0.000 0.865 587 Q CB 0.085 28.828 28.738 0.008 0.000 0.922 587 Q HN 0.347 nan 8.270 nan 0.000 0.445 588 D N -1.128 119.320 120.400 0.080 0.000 2.348 588 D HA 0.018 4.658 4.640 -0.000 0.000 0.211 588 D C 0.802 177.242 176.300 0.233 0.000 0.998 588 D CA 0.523 54.613 54.000 0.150 0.000 0.873 588 D CB 0.161 41.044 40.800 0.139 0.000 0.925 588 D HN 0.412 nan 8.370 nan 0.000 0.524 589 M N 0.571 120.268 119.600 0.163 0.000 2.371 589 M HA 0.104 4.584 4.480 -0.000 0.000 0.246 589 M C 0.395 176.707 176.300 0.020 0.000 1.103 589 M CA -0.182 55.163 55.300 0.075 0.000 1.010 589 M CB 0.467 33.113 32.600 0.075 0.000 1.457 589 M HN -0.154 nan 8.290 nan 0.000 0.486 590 R N 0.326 120.844 120.500 0.030 0.000 2.543 590 R HA 0.192 4.532 4.340 -0.000 0.000 0.277 590 R C -0.741 175.537 176.300 -0.037 0.000 1.074 590 R CA 0.035 56.162 56.100 0.044 0.000 1.076 590 R CB 0.437 30.764 30.300 0.045 0.000 0.993 590 R HN 0.212 nan 8.270 nan 0.000 0.459 591 H N 0.928 119.985 119.070 -0.021 0.000 2.458 591 H HA 0.495 5.051 4.556 -0.000 0.000 0.330 591 H C 0.399 175.700 175.328 -0.045 0.000 1.111 591 H CA 0.302 56.323 56.048 -0.045 0.000 1.245 591 H CB 1.869 31.599 29.762 -0.053 0.000 1.456 591 H HN 0.988 nan 8.280 nan 0.000 0.488 592 G N 1.938 110.731 108.800 -0.010 0.000 2.362 592 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.656 592 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.656 592 G C -1.118 173.742 174.900 -0.067 0.000 1.376 592 G CA -1.173 43.901 45.100 -0.043 0.000 0.971 592 G HN 0.407 nan 8.290 nan 0.000 0.636 593 F N 1.770 121.725 119.950 0.009 0.000 2.623 593 F HA 0.212 4.739 4.527 -0.000 0.000 0.383 593 F C 0.419 176.220 175.800 0.001 0.000 1.077 593 F CA 0.238 58.238 58.000 0.000 0.000 1.268 593 F CB 0.840 39.834 39.000 -0.009 0.000 1.053 593 F HN 0.370 nan 8.300 nan 0.000 0.571 594 P HA -0.034 nan 4.420 nan 0.000 0.220 594 P C -0.170 177.193 177.300 0.105 0.000 1.152 594 P CA 1.040 64.205 63.100 0.108 0.000 0.812 594 P CB 0.526 32.273 31.700 0.078 0.000 0.792 595 V N 3.327 123.319 119.914 0.129 0.000 2.531 595 V HA 0.301 4.421 4.120 -0.000 0.000 0.301 595 V C -2.243 173.856 176.094 0.008 0.000 1.034 595 V CA -2.024 60.309 62.300 0.057 0.000 0.865 595 V CB 1.862 33.703 31.823 0.031 0.000 0.995 595 V HN 0.030 nan 8.190 nan 0.000 0.424 596 P HA 0.246 nan 4.420 nan 0.000 0.267 596 P C -0.770 176.399 177.300 -0.219 0.000 1.200 596 P CA 0.267 63.302 63.100 -0.108 0.000 0.772 596 P CB 1.298 32.965 31.700 -0.054 0.000 0.855 597 V N -0.203 119.499 119.914 -0.354 0.000 3.159 597 V HA 0.484 4.604 4.120 -0.000 0.000 0.308 597 V C -0.274 175.642 176.094 -0.296 0.000 1.190 597 V CA -1.166 60.912 62.300 -0.370 0.000 1.037 597 V CB 1.704 33.168 31.823 -0.599 0.000 1.060 597 V HN 0.248 nan 8.190 nan 0.000 0.437 598 V N 2.030 121.806 119.914 -0.230 0.000 2.530 598 V HA 0.396 4.516 4.120 -0.000 0.000 0.282 598 V C 0.785 176.747 176.094 -0.220 0.000 1.048 598 V CA -0.256 61.944 62.300 -0.167 0.000 0.997 598 V CB 1.019 32.781 31.823 -0.103 0.000 0.987 598 V HN 0.981 nan 8.190 nan 0.000 0.477 599 R N 3.742 124.147 120.500 -0.159 0.000 2.623 599 R HA 0.069 4.409 4.340 -0.000 0.000 0.271 599 R C 0.224 176.463 176.300 -0.102 0.000 1.043 599 R CA -0.465 55.543 56.100 -0.153 0.000 1.083 599 R CB 0.274 30.545 30.300 -0.048 0.000 0.974 599 R HN 0.777 nan 8.270 nan 0.000 0.436 600 H N 1.855 120.926 119.070 0.001 0.000 2.801 600 H HA 0.041 4.596 4.556 -0.000 0.000 0.377 600 H C -0.433 174.898 175.328 0.006 0.000 1.304 600 H CA 0.284 56.334 56.048 0.003 0.000 1.451 600 H CB 0.598 30.369 29.762 0.016 0.000 1.474 600 H HN 0.607 nan 8.280 nan 0.000 0.620 601 D N -1.251 119.242 120.400 0.155 0.000 2.350 601 D HA 0.286 4.926 4.640 -0.000 0.000 0.238 601 D C 0.473 176.807 176.300 0.057 0.000 0.989 601 D CA -0.526 53.521 54.000 0.077 0.000 0.921 601 D CB 1.636 42.466 40.800 0.050 0.000 1.297 601 D HN 0.501 nan 8.370 nan 0.000 0.490 602 S N 0.222 115.945 115.700 0.037 0.000 4.337 602 S HA 0.370 4.839 4.470 -0.000 0.000 0.207 602 S C 0.716 175.323 174.600 0.012 0.000 1.031 602 S CA -0.575 57.638 58.200 0.022 0.000 1.792 602 S CB -0.199 63.016 63.200 0.025 0.000 0.767 602 S HN 0.558 nan 8.310 nan 0.000 0.736 603 M N 0.000 119.606 119.600 0.009 0.000 2.572 603 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 603 M CA 0.000 55.303 55.300 0.005 0.000 0.988 603 M CB 0.000 32.603 32.600 0.005 0.000 1.302 603 M HN 0.000 nan 8.290 nan 0.000 0.411