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 3g86_1_B DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNMVYA TTSRSAGLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI HSVWKDLLED TVTPIDTTIM AKNEVFCVQX DATA SEQUENCE XXXXRKPARL IVFPDLGVRV CEKMALYDVV STLPQVVMGS SYGFQYSPGQ DATA SEQUENCE RVEFLVNTWK SKKNPMGFSY DTRCFDSTVT ENDIRVEESI YQCCDLAPEA DATA SEQUENCE RQAIKSLTER LYIGGPLTNS KGQNCGYRRC RASGVLTTSC GNTLTCYLKA DATA SEQUENCE SAACRAAKLQ DCTMLVNGDD LVVICESAGT QEDAASLRVF TEAMTRYSAP DATA SEQUENCE PGDPPQPEYD LELITSCSSN VSVAHDASGK RVYYLTRDPT TPLARAAWET DATA SEQUENCE ARHTPVNSWL GNIIMYAPTL WARMILMTHF FSILLAQEQL EKALDCQIYG DATA SEQUENCE ACYSIEPLDL PQIIERLHGL SAFSLHSYSP GEINRVASCL RKLGVPPLRV DATA SEQUENCE WRHRARSVRA RLLSQGGRAA TCGKYLFNWA VKTKLKLTPI PAASRLDLSG DATA SEQUENCE WFVAGYSGGD IYH 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.097 175.328 -0.385 0.000 0.993 0 H CA 0.000 55.932 56.048 -0.193 0.000 1.023 0 H CB 0.000 29.652 29.762 -0.183 0.000 1.292 1 H N 1.604 120.739 119.070 0.107 0.000 2.328 1 H HA 0.275 4.835 4.556 0.007 0.000 0.230 1 H C 0.166 175.488 175.328 -0.010 0.000 1.481 1 H CA -0.224 55.844 56.048 0.033 0.000 1.306 1 H CB 0.549 30.330 29.762 0.032 0.000 1.531 1 H HN 0.033 nan 8.280 nan 0.000 0.533 2 M N 1.314 120.927 119.600 0.020 0.000 2.217 2 M HA 0.033 4.518 4.480 0.008 0.000 0.354 2 M C 1.795 178.013 176.300 -0.137 0.000 1.225 2 M CA 0.003 55.281 55.300 -0.037 0.000 1.137 2 M CB 1.195 33.769 32.600 -0.043 0.000 1.576 2 M HN 0.347 nan 8.290 nan 0.000 0.461 3 S N 2.572 118.125 115.700 -0.245 0.000 2.383 3 S HA -0.108 4.367 4.470 0.008 0.000 0.229 3 S C 0.102 174.300 174.600 -0.670 0.000 1.030 3 S CA 1.062 58.993 58.200 -0.448 0.000 1.002 3 S CB -0.243 62.629 63.200 -0.546 0.000 0.829 3 S HN 0.653 nan 8.310 nan 0.000 0.467 4 Y N 0.648 120.780 120.300 -0.281 0.000 2.571 4 Y HA 0.544 5.099 4.550 0.009 0.000 0.341 4 Y C -0.038 175.538 175.900 -0.540 0.000 1.076 4 Y CA -0.918 56.871 58.100 -0.518 0.000 1.029 4 Y CB 1.943 39.886 38.460 -0.861 0.000 1.308 4 Y HN 0.124 nan 8.280 nan 0.000 0.461 5 T N -2.256 112.042 114.554 -0.427 0.000 2.885 5 T HA 0.715 5.070 4.350 0.008 0.000 0.285 5 T C -1.295 173.118 174.700 -0.478 0.000 1.019 5 T CA -0.775 61.121 62.100 -0.340 0.000 1.010 5 T CB 1.218 70.011 68.868 -0.124 0.000 1.022 5 T HN 0.551 nan 8.240 nan 0.000 0.466 6 W N 0.833 122.185 121.300 0.087 0.000 2.736 6 W HA 0.464 5.129 4.660 0.007 0.000 0.335 6 W C 1.432 177.977 176.519 0.043 0.000 1.059 6 W CA -0.794 56.587 57.345 0.060 0.000 1.226 6 W CB 2.175 31.654 29.460 0.031 0.000 1.416 6 W HN 0.925 nan 8.180 nan 0.000 0.505 7 T N -2.184 112.544 114.554 0.290 0.000 3.009 7 T HA 0.307 4.661 4.350 0.008 0.000 0.258 7 T C 1.462 176.243 174.700 0.134 0.000 1.063 7 T CA 1.135 63.335 62.100 0.166 0.000 1.139 7 T CB 0.009 68.953 68.868 0.127 0.000 0.890 7 T HN 1.141 nan 8.240 nan 0.000 0.471 8 G N 1.382 110.266 108.800 0.140 0.000 2.352 8 G HA2 0.059 4.023 3.960 0.008 0.000 0.204 8 G HA3 0.059 4.023 3.960 0.008 0.000 0.204 8 G C 0.440 175.363 174.900 0.038 0.000 1.004 8 G CA -0.143 44.997 45.100 0.067 0.000 0.648 8 G HN 1.101 nan 8.290 nan 0.000 0.491 9 A N 1.109 123.963 122.820 0.057 0.000 2.561 9 A HA 0.554 4.879 4.320 0.008 0.000 0.234 9 A C 0.710 178.301 177.584 0.011 0.000 1.055 9 A CA 0.518 52.577 52.037 0.037 0.000 0.756 9 A CB 0.091 19.122 19.000 0.053 0.000 0.986 9 A HN 0.921 nan 8.150 nan 0.000 0.505 10 L N 1.924 123.141 121.223 -0.009 0.000 2.399 10 L HA 0.348 4.693 4.340 0.008 0.000 0.266 10 L C 0.120 176.971 176.870 -0.031 0.000 1.114 10 L CA -0.466 54.351 54.840 -0.038 0.000 0.804 10 L CB 0.999 43.039 42.059 -0.032 0.000 1.146 10 L HN 0.562 nan 8.230 nan 0.000 0.451 11 I N 1.613 122.147 120.570 -0.058 0.000 2.396 11 I HA 0.126 4.301 4.170 0.008 0.000 0.289 11 I C 0.400 176.507 176.117 -0.016 0.000 1.056 11 I CA -0.049 61.230 61.300 -0.035 0.000 1.365 11 I CB 0.861 38.824 38.000 -0.061 0.000 1.407 11 I HN 0.643 nan 8.210 nan 0.000 0.509 12 T N 4.713 119.268 114.554 0.002 0.000 2.918 12 T HA 0.626 4.981 4.350 0.008 0.000 0.286 12 T C -2.557 172.157 174.700 0.023 0.000 1.026 12 T CA -2.043 60.062 62.100 0.009 0.000 1.031 12 T CB 2.073 70.946 68.868 0.008 0.000 1.046 12 T HN 0.294 nan 8.240 nan 0.000 0.479 13 P HA 0.311 nan 4.420 nan 0.000 0.281 13 P C 0.562 177.884 177.300 0.036 0.000 1.264 13 P CA -0.786 62.336 63.100 0.037 0.000 0.824 13 P CB 0.852 32.575 31.700 0.037 0.000 1.092 14 C N -1.195 118.131 119.300 0.043 0.000 2.884 14 C HA 0.835 5.299 4.460 0.008 0.000 0.287 14 C C 0.599 175.609 174.990 0.033 0.000 1.310 14 C CA -0.164 58.876 59.018 0.037 0.000 1.725 14 C CB -1.245 26.523 27.740 0.046 0.000 2.060 14 C HN 0.701 nan 8.230 nan 0.000 0.618 15 A N 0.162 123.004 122.820 0.037 0.000 2.511 15 A HA 0.803 5.127 4.320 0.008 0.000 0.293 15 A C -0.550 177.061 177.584 0.045 0.000 1.098 15 A CA -0.006 52.054 52.037 0.038 0.000 0.643 15 A CB -0.304 18.721 19.000 0.042 0.000 1.302 15 A HN 1.438 nan 8.150 nan 0.000 0.446 16 A N 0.065 122.914 122.820 0.048 0.000 2.477 16 A HA 0.532 4.856 4.320 0.008 0.000 0.246 16 A C -0.048 177.581 177.584 0.075 0.000 1.078 16 A CA 0.379 52.450 52.037 0.056 0.000 0.770 16 A CB -0.309 18.723 19.000 0.053 0.000 1.011 16 A HN 0.583 nan 8.150 nan 0.000 0.494 17 E N 1.654 121.904 120.200 0.082 0.000 2.176 17 E HA 0.312 4.667 4.350 0.008 0.000 0.267 17 E C -0.972 175.712 176.600 0.140 0.000 0.893 17 E CA -0.429 56.035 56.400 0.106 0.000 0.761 17 E CB 1.640 31.391 29.700 0.085 0.000 1.133 17 E HN 0.742 nan 8.360 nan 0.000 0.409 18 E N 1.298 121.625 120.200 0.213 0.000 2.227 18 E HA 0.107 4.461 4.350 0.008 0.000 0.282 18 E C 0.344 177.165 176.600 0.369 0.000 1.015 18 E CA -0.181 56.384 56.400 0.275 0.000 0.823 18 E CB 1.394 31.293 29.700 0.331 0.000 1.081 18 E HN 0.541 nan 8.360 nan 0.000 0.396 19 S N 2.819 118.701 115.700 0.302 0.000 2.475 19 S HA 0.050 4.524 4.470 0.008 0.000 0.224 19 S C 0.591 175.445 174.600 0.424 0.000 1.042 19 S CA -0.034 58.364 58.200 0.330 0.000 0.935 19 S CB 0.149 63.482 63.200 0.222 0.000 0.801 19 S HN 0.227 nan 8.310 nan 0.000 0.509 20 K N 1.412 121.996 120.400 0.307 0.000 2.218 20 K HA 0.401 4.726 4.320 0.008 0.000 0.276 20 K C -0.770 175.897 176.600 0.113 0.000 1.022 20 K CA -0.699 55.722 56.287 0.224 0.000 0.946 20 K CB 0.885 33.452 32.500 0.113 0.000 1.000 20 K HN 0.185 nan 8.250 nan 0.000 0.468 21 L N 5.313 126.593 121.223 0.095 0.000 2.615 21 L HA 0.077 4.422 4.340 0.008 0.000 0.271 21 L C -2.330 174.314 176.870 -0.377 0.000 1.183 21 L CA -1.009 53.714 54.840 -0.196 0.000 0.933 21 L CB -0.181 41.892 42.059 0.022 0.000 1.199 21 L HN 0.449 nan 8.230 nan 0.000 0.487 22 P HA 0.213 nan 4.420 nan 0.000 0.271 22 P C -0.969 176.117 177.300 -0.357 0.000 1.216 22 P CA -0.066 62.758 63.100 -0.460 0.000 0.776 22 P CB 0.580 31.944 31.700 -0.560 0.000 0.881 23 I N 3.174 123.591 120.570 -0.254 0.000 2.433 23 I HA 0.370 4.545 4.170 0.008 0.000 0.292 23 I C 0.461 176.484 176.117 -0.157 0.000 1.001 23 I CA -0.604 60.546 61.300 -0.249 0.000 1.119 23 I CB 1.470 39.323 38.000 -0.244 0.000 1.289 23 I HN 0.488 nan 8.210 nan 0.000 0.438 24 N N 4.307 122.928 118.700 -0.132 0.000 3.283 24 N HA 0.447 5.191 4.740 0.008 0.000 0.338 24 N C 0.435 175.914 175.510 -0.053 0.000 1.517 24 N CA -0.367 52.639 53.050 -0.074 0.000 0.733 24 N CB 0.546 39.001 38.487 -0.053 0.000 1.797 24 N HN 0.380 nan 8.380 nan 0.000 0.637 25 A N -0.544 122.257 122.820 -0.031 0.000 2.067 25 A HA 0.118 4.442 4.320 0.008 0.000 0.219 25 A C 1.821 179.396 177.584 -0.016 0.000 1.158 25 A CA 0.906 52.931 52.037 -0.020 0.000 0.661 25 A CB -0.921 18.069 19.000 -0.017 0.000 0.801 25 A HN 0.533 nan 8.150 nan 0.000 0.452 26 L N -1.191 120.022 121.223 -0.016 0.000 2.477 26 L HA 0.019 4.363 4.340 0.008 0.000 0.220 26 L C 2.496 179.395 176.870 0.048 0.000 1.106 26 L CA 0.453 55.298 54.840 0.008 0.000 0.851 26 L CB -0.103 41.945 42.059 -0.018 0.000 0.994 26 L HN 0.234 nan 8.230 nan 0.000 0.462 27 S N 0.553 116.251 115.700 -0.002 0.000 2.351 27 S HA -0.170 4.304 4.470 0.008 0.000 0.220 27 S C 1.711 176.345 174.600 0.058 0.000 1.035 27 S CA 1.589 59.776 58.200 -0.022 0.000 1.031 27 S CB -0.295 62.792 63.200 -0.188 0.000 0.928 27 S HN 0.443 nan 8.310 nan 0.000 0.433 28 N N 1.550 120.306 118.700 0.093 0.000 2.272 28 N HA -0.077 4.667 4.740 0.008 0.000 0.185 28 N C 1.859 177.392 175.510 0.039 0.000 1.014 28 N CA 1.285 54.410 53.050 0.124 0.000 0.870 28 N CB -0.540 38.003 38.487 0.094 0.000 0.975 28 N HN 0.576 nan 8.380 nan 0.000 0.433 29 S N -0.587 115.127 115.700 0.024 0.000 2.474 29 S HA -0.048 4.427 4.470 0.008 0.000 0.235 29 S C 1.754 176.357 174.600 0.006 0.000 0.997 29 S CA 0.424 58.611 58.200 -0.021 0.000 0.949 29 S CB -0.137 63.063 63.200 0.001 0.000 0.766 29 S HN 0.218 nan 8.310 nan 0.000 0.517 30 L N -0.050 121.193 121.223 0.033 0.000 2.269 30 L HA 0.598 4.942 4.340 0.008 0.000 0.200 30 L C 0.158 177.073 176.870 0.074 0.000 1.069 30 L CA 0.902 55.754 54.840 0.020 0.000 0.804 30 L CB 0.182 42.067 42.059 -0.291 0.000 0.987 30 L HN 0.518 nan 8.230 nan 0.000 0.468 31 L N -1.100 120.158 121.223 0.058 0.000 2.543 31 L HA 0.355 4.700 4.340 0.008 0.000 0.265 31 L C 0.307 177.221 176.870 0.074 0.000 0.945 31 L CA -0.336 54.533 54.840 0.049 0.000 0.869 31 L CB 1.493 43.611 42.059 0.097 0.000 1.294 31 L HN -0.012 nan 8.230 nan 0.000 0.405 32 R N 1.270 121.684 120.500 -0.144 0.000 2.189 32 R HA 0.177 4.522 4.340 0.008 0.000 0.203 32 R C -0.089 175.977 176.300 -0.391 0.000 1.012 32 R CA 0.300 56.233 56.100 -0.279 0.000 1.015 32 R CB 0.143 30.300 30.300 -0.238 0.000 0.938 32 R HN 0.628 nan 8.270 nan 0.000 0.472 33 H N 0.308 119.286 119.070 -0.154 0.000 2.820 33 H HA 0.116 4.676 4.556 0.007 0.000 0.248 33 H C 0.337 175.672 175.328 0.011 0.000 1.714 33 H CA -0.335 55.648 56.048 -0.110 0.000 1.334 33 H CB 0.144 29.891 29.762 -0.026 0.000 1.693 33 H HN 0.317 nan 8.280 nan 0.000 0.548 34 H N 0.962 120.123 119.070 0.151 0.000 2.423 34 H HA -0.153 4.408 4.556 0.008 0.000 0.297 34 H C 2.031 177.435 175.328 0.126 0.000 1.075 34 H CA 0.889 57.003 56.048 0.109 0.000 1.342 34 H CB 0.366 30.168 29.762 0.067 0.000 1.395 34 H HN 0.621 nan 8.280 nan 0.000 0.530 35 N N 1.326 120.156 118.700 0.216 0.000 2.512 35 N HA -0.129 4.615 4.740 0.008 0.000 0.183 35 N C 1.403 177.018 175.510 0.175 0.000 1.073 35 N CA 0.876 54.025 53.050 0.166 0.000 0.911 35 N CB -0.242 38.304 38.487 0.098 0.000 0.964 35 N HN 0.427 nan 8.380 nan 0.000 0.447 36 M N 0.197 119.912 119.600 0.192 0.000 2.419 36 M HA 0.083 4.568 4.480 0.008 0.000 0.264 36 M C 0.067 176.539 176.300 0.287 0.000 1.082 36 M CA 0.352 55.775 55.300 0.205 0.000 1.119 36 M CB 0.370 33.081 32.600 0.184 0.000 1.398 36 M HN -0.123 nan 8.290 nan 0.000 0.453 37 V N 0.977 121.066 119.914 0.292 0.000 2.481 37 V HA 0.280 4.404 4.120 0.008 0.000 0.286 37 V C -0.695 175.653 176.094 0.423 0.000 1.042 37 V CA -0.642 61.844 62.300 0.310 0.000 0.928 37 V CB 0.633 32.613 31.823 0.263 0.000 0.986 37 V HN 0.319 nan 8.190 nan 0.000 0.462 38 Y N 2.230 122.680 120.300 0.250 0.000 2.597 38 Y HA 0.892 5.445 4.550 0.006 0.000 0.340 38 Y C -0.515 175.477 175.900 0.154 0.000 1.097 38 Y CA -1.468 56.787 58.100 0.257 0.000 1.037 38 Y CB 1.471 40.045 38.460 0.191 0.000 1.305 38 Y HN 0.706 nan 8.280 nan 0.000 0.463 39 A N 1.660 124.566 122.820 0.144 0.000 2.330 39 A HA 0.659 4.984 4.320 0.008 0.000 0.327 39 A C -0.022 177.648 177.584 0.143 0.000 1.155 39 A CA -0.359 51.573 52.037 -0.175 0.000 0.803 39 A CB 0.421 19.063 19.000 -0.596 0.000 1.208 39 A HN 1.130 nan 8.150 nan 0.000 0.477 40 T N 0.205 114.835 114.554 0.127 0.000 2.926 40 T HA 0.519 4.874 4.350 0.008 0.000 0.307 40 T C 0.374 175.132 174.700 0.098 0.000 1.059 40 T CA 0.472 62.690 62.100 0.196 0.000 1.122 40 T CB 0.566 69.566 68.868 0.220 0.000 0.972 40 T HN 1.512 nan 8.240 nan 0.000 0.545 41 T N -1.699 112.915 114.554 0.101 0.000 2.883 41 T HA 0.478 4.833 4.350 0.008 0.000 0.296 41 T C 1.432 176.164 174.700 0.052 0.000 1.117 41 T CA -0.242 61.901 62.100 0.070 0.000 1.006 41 T CB 1.369 70.285 68.868 0.081 0.000 1.191 41 T HN 0.866 nan 8.240 nan 0.000 0.508 42 S N 0.669 116.392 115.700 0.039 0.000 2.441 42 S HA -0.202 4.272 4.470 0.008 0.000 0.242 42 S C 1.671 176.274 174.600 0.006 0.000 1.018 42 S CA 0.619 58.831 58.200 0.020 0.000 0.988 42 S CB -0.686 62.526 63.200 0.020 0.000 0.778 42 S HN 0.703 nan 8.310 nan 0.000 0.498 43 R N 1.441 121.951 120.500 0.016 0.000 2.280 43 R HA 0.077 4.421 4.340 0.008 0.000 0.207 43 R C 2.106 178.403 176.300 -0.005 0.000 1.043 43 R CA 1.119 57.222 56.100 0.005 0.000 1.006 43 R CB -0.673 29.637 30.300 0.017 0.000 0.885 43 R HN 0.784 nan 8.270 nan 0.000 0.467 44 S N -0.726 114.977 115.700 0.004 0.000 2.556 44 S HA 0.215 4.689 4.470 0.008 0.000 0.216 44 S C 1.855 176.437 174.600 -0.030 0.000 0.970 44 S CA 0.231 58.427 58.200 -0.006 0.000 0.912 44 S CB 0.619 63.831 63.200 0.020 0.000 0.790 44 S HN 0.215 nan 8.310 nan 0.000 0.504 45 A N 2.307 125.100 122.820 -0.044 0.000 1.908 45 A HA 0.147 4.472 4.320 0.008 0.000 0.218 45 A C 2.332 179.822 177.584 -0.156 0.000 1.181 45 A CA 1.641 53.626 52.037 -0.086 0.000 0.627 45 A CB -1.816 17.129 19.000 -0.091 0.000 0.818 45 A HN 0.661 nan 8.150 nan 0.000 0.445 46 G N 0.252 108.958 108.800 -0.157 0.000 2.556 46 G HA2 -0.299 3.666 3.960 0.008 0.000 0.220 46 G HA3 -0.299 3.666 3.960 0.008 0.000 0.220 46 G C 1.518 176.324 174.900 -0.157 0.000 1.156 46 G CA 1.319 46.306 45.100 -0.189 0.000 0.766 46 G HN 0.497 nan 8.290 nan 0.000 0.583 47 L N -0.308 120.858 121.223 -0.095 0.000 2.083 47 L HA -0.005 4.339 4.340 0.008 0.000 0.209 47 L C 2.859 179.699 176.870 -0.051 0.000 1.083 47 L CA 1.341 56.144 54.840 -0.061 0.000 0.752 47 L CB -0.435 41.601 42.059 -0.038 0.000 0.899 47 L HN 0.160 nan 8.230 nan 0.000 0.433 48 R N 0.705 121.168 120.500 -0.060 0.000 2.075 48 R HA -0.130 4.214 4.340 0.008 0.000 0.232 48 R C 2.249 178.514 176.300 -0.059 0.000 1.126 48 R CA 1.465 57.544 56.100 -0.034 0.000 0.963 48 R CB -0.443 29.840 30.300 -0.028 0.000 0.858 48 R HN 0.342 nan 8.270 nan 0.000 0.435 49 Q N 0.207 119.893 119.800 -0.189 0.000 2.133 49 Q HA -0.249 4.095 4.340 0.008 0.000 0.208 49 Q C 2.012 177.965 176.000 -0.079 0.000 0.991 49 Q CA 2.210 57.826 55.803 -0.312 0.000 0.867 49 Q CB -0.233 28.021 28.738 -0.807 0.000 0.911 49 Q HN 0.317 nan 8.270 nan 0.000 0.417 50 K N 0.891 121.250 120.400 -0.068 0.000 2.057 50 K HA -0.220 4.105 4.320 0.008 0.000 0.207 50 K C 2.012 178.688 176.600 0.127 0.000 1.049 50 K CA 1.416 57.724 56.287 0.035 0.000 0.931 50 K CB 0.037 32.539 32.500 0.003 0.000 0.714 50 K HN -0.085 nan 8.250 nan 0.000 0.440 51 K N 0.347 120.814 120.400 0.112 0.000 2.103 51 K HA -0.077 4.247 4.320 0.008 0.000 0.204 51 K C 1.642 178.431 176.600 0.316 0.000 1.052 51 K CA 1.273 57.662 56.287 0.170 0.000 0.945 51 K CB 0.195 32.763 32.500 0.113 0.000 0.722 51 K HN 0.171 nan 8.250 nan 0.000 0.443 52 V N -1.820 118.261 119.914 0.278 0.000 3.623 52 V HA 0.151 4.276 4.120 0.008 0.000 0.271 52 V C 0.004 176.242 176.094 0.239 0.000 1.248 52 V CA 0.243 62.741 62.300 0.329 0.000 1.156 52 V CB -0.006 31.965 31.823 0.248 0.000 0.870 52 V HN 0.014 nan 8.190 nan 0.000 0.453 53 T N 4.168 118.912 114.554 0.316 0.000 2.874 53 T HA 0.734 5.088 4.350 0.008 0.000 0.321 53 T C -0.793 174.072 174.700 0.275 0.000 1.075 53 T CA -0.101 62.159 62.100 0.268 0.000 0.966 53 T CB 0.244 69.381 68.868 0.449 0.000 1.001 53 T HN 0.585 nan 8.240 nan 0.000 0.476 54 F N -0.405 119.649 119.950 0.173 0.000 2.713 54 F HA 0.692 5.224 4.527 0.008 0.000 0.311 54 F C -0.895 174.956 175.800 0.085 0.000 1.141 54 F CA -1.690 56.376 58.000 0.110 0.000 0.939 54 F CB 0.725 39.780 39.000 0.092 0.000 1.325 54 F HN 0.142 nan 8.300 nan 0.000 0.453 55 D N 0.760 121.342 120.400 0.303 0.000 2.350 55 D HA 0.438 5.083 4.640 0.008 0.000 0.249 55 D C -0.831 175.640 176.300 0.285 0.000 1.119 55 D CA 0.030 54.159 54.000 0.216 0.000 0.886 55 D CB 0.802 41.703 40.800 0.168 0.000 1.195 55 D HN 0.513 nan 8.370 nan 0.000 0.437 56 R N 2.401 123.023 120.500 0.204 0.000 2.393 56 R HA 0.573 4.918 4.340 0.008 0.000 0.310 56 R C -0.965 175.368 176.300 0.056 0.000 0.968 56 R CA -0.668 55.524 56.100 0.153 0.000 0.867 56 R CB 0.938 31.293 30.300 0.092 0.000 1.124 56 R HN 0.309 nan 8.270 nan 0.000 0.450 57 L N 1.997 123.239 121.223 0.031 0.000 2.322 57 L HA 0.492 4.836 4.340 0.008 0.000 0.281 57 L C -0.410 176.427 176.870 -0.055 0.000 1.014 57 L CA -0.159 54.666 54.840 -0.026 0.000 0.815 57 L CB 1.815 43.880 42.059 0.010 0.000 1.247 57 L HN 0.506 nan 8.230 nan 0.000 0.421 58 Q N 1.735 121.474 119.800 -0.100 0.000 2.323 58 Q HA 0.731 5.075 4.340 0.008 0.000 0.271 58 Q C -1.761 174.183 176.000 -0.094 0.000 1.048 58 Q CA -0.518 55.228 55.803 -0.095 0.000 0.792 58 Q CB 2.661 31.319 28.738 -0.133 0.000 1.280 58 Q HN 0.431 nan 8.270 nan 0.000 0.441 59 V N 5.431 125.306 119.914 -0.064 0.000 2.409 59 V HA 0.417 4.541 4.120 0.008 0.000 0.290 59 V C -0.779 175.304 176.094 -0.019 0.000 1.017 59 V CA -0.542 61.726 62.300 -0.054 0.000 0.841 59 V CB 1.395 33.189 31.823 -0.048 0.000 1.003 59 V HN 0.678 nan 8.190 nan 0.000 0.426 60 L N 5.734 126.903 121.223 -0.089 0.000 2.305 60 L HA 0.625 4.970 4.340 0.008 0.000 0.284 60 L C -0.125 176.738 176.870 -0.012 0.000 1.013 60 L CA -0.536 54.203 54.840 -0.170 0.000 0.819 60 L CB 1.601 43.368 42.059 -0.487 0.000 1.227 60 L HN 0.689 nan 8.230 nan 0.000 0.417 61 D N 0.601 121.070 120.400 0.115 0.000 2.588 61 D HA 0.131 4.776 4.640 0.008 0.000 0.268 61 D C 0.229 176.594 176.300 0.108 0.000 1.176 61 D CA -0.556 53.507 54.000 0.105 0.000 1.080 61 D CB 0.909 41.784 40.800 0.125 0.000 1.186 61 D HN 0.300 nan 8.370 nan 0.000 0.619 62 D N -1.361 119.046 120.400 0.010 0.000 2.183 62 D HA -0.121 4.524 4.640 0.008 0.000 0.203 62 D C 1.762 178.059 176.300 -0.005 0.000 0.969 62 D CA 0.879 54.861 54.000 -0.030 0.000 0.842 62 D CB -0.042 40.689 40.800 -0.116 0.000 0.957 62 D HN 0.401 nan 8.370 nan 0.000 0.484 63 H N -0.147 118.980 119.070 0.095 0.000 2.353 63 H HA -0.159 4.402 4.556 0.007 0.000 0.300 63 H C 2.005 177.356 175.328 0.038 0.000 1.090 63 H CA 0.954 57.046 56.048 0.074 0.000 1.327 63 H CB -0.650 29.182 29.762 0.116 0.000 1.383 63 H HN 0.306 nan 8.280 nan 0.000 0.508 64 Y N 1.868 122.188 120.300 0.033 0.000 2.097 64 Y HA -0.242 4.312 4.550 0.007 0.000 0.282 64 Y C 2.702 178.540 175.900 -0.103 0.000 1.152 64 Y CA 1.738 59.734 58.100 -0.174 0.000 1.136 64 Y CB -0.122 38.131 38.460 -0.346 0.000 0.975 64 Y HN -0.051 nan 8.280 nan 0.000 0.498 65 R N -0.012 120.511 120.500 0.039 0.000 2.115 65 R HA -0.123 4.222 4.340 0.008 0.000 0.226 65 R C 1.719 177.974 176.300 -0.075 0.000 1.100 65 R CA 1.259 57.335 56.100 -0.039 0.000 0.980 65 R CB -0.209 30.122 30.300 0.053 0.000 0.875 65 R HN 0.430 nan 8.270 nan 0.000 0.445 66 D N 0.066 120.446 120.400 -0.033 0.000 2.097 66 D HA -0.123 4.521 4.640 0.008 0.000 0.197 66 D C 1.964 178.234 176.300 -0.050 0.000 0.984 66 D CA 1.082 55.069 54.000 -0.021 0.000 0.826 66 D CB -0.271 40.545 40.800 0.027 0.000 0.973 66 D HN -0.024 nan 8.370 nan 0.000 0.460 67 V N 1.237 121.103 119.914 -0.080 0.000 2.332 67 V HA -0.220 3.904 4.120 0.008 0.000 0.248 67 V C 2.491 178.509 176.094 -0.126 0.000 1.055 67 V CA 1.086 63.326 62.300 -0.101 0.000 1.038 67 V CB -0.490 31.242 31.823 -0.151 0.000 0.651 67 V HN 0.131 nan 8.190 nan 0.000 0.450 68 L N 0.501 121.580 121.223 -0.239 0.000 2.042 68 L HA -0.195 4.150 4.340 0.008 0.000 0.210 68 L C 2.440 179.239 176.870 -0.120 0.000 1.076 68 L CA 2.302 57.005 54.840 -0.228 0.000 0.749 68 L CB -0.865 40.985 42.059 -0.348 0.000 0.893 68 L HN 0.307 nan 8.230 nan 0.000 0.432 69 K N -0.514 119.831 120.400 -0.092 0.000 2.063 69 K HA -0.225 4.099 4.320 0.008 0.000 0.208 69 K C 1.933 178.512 176.600 -0.034 0.000 1.048 69 K CA 1.954 58.210 56.287 -0.052 0.000 0.928 69 K CB -0.126 32.352 32.500 -0.036 0.000 0.713 69 K HN 0.503 nan 8.250 nan 0.000 0.442 70 E N 0.159 120.344 120.200 -0.025 0.000 2.077 70 E HA -0.196 4.159 4.350 0.008 0.000 0.193 70 E C 2.093 178.694 176.600 0.001 0.000 0.989 70 E CA 1.688 58.086 56.400 -0.003 0.000 0.800 70 E CB -0.098 29.612 29.700 0.016 0.000 0.746 70 E HN 0.361 nan 8.360 nan 0.000 0.452 71 M N 0.612 120.212 119.600 0.001 0.000 2.117 71 M HA -0.185 4.300 4.480 0.008 0.000 0.262 71 M C 2.125 178.405 176.300 -0.032 0.000 1.065 71 M CA 1.484 56.781 55.300 -0.006 0.000 1.114 71 M CB -0.171 32.428 32.600 -0.001 0.000 1.361 71 M HN -0.051 nan 8.290 nan 0.000 0.408 72 K N 0.285 120.661 120.400 -0.039 0.000 2.097 72 K HA -0.053 4.272 4.320 0.008 0.000 0.205 72 K C 2.141 178.726 176.600 -0.024 0.000 1.050 72 K CA 1.300 57.566 56.287 -0.036 0.000 0.938 72 K CB -0.236 32.240 32.500 -0.040 0.000 0.718 72 K HN 0.299 nan 8.250 nan 0.000 0.442 73 A N 1.971 124.779 122.820 -0.020 0.000 1.933 73 A HA -0.197 4.128 4.320 0.008 0.000 0.218 73 A C 1.858 179.433 177.584 -0.015 0.000 1.175 73 A CA 1.496 53.525 52.037 -0.013 0.000 0.628 73 A CB -0.236 18.759 19.000 -0.009 0.000 0.814 73 A HN 0.189 nan 8.150 nan 0.000 0.444 74 K N -0.419 119.969 120.400 -0.020 0.000 2.103 74 K HA 0.025 4.350 4.320 0.008 0.000 0.204 74 K C 2.255 178.834 176.600 -0.034 0.000 1.052 74 K CA 0.963 57.233 56.287 -0.028 0.000 0.945 74 K CB -0.283 32.195 32.500 -0.038 0.000 0.722 74 K HN 0.423 nan 8.250 nan 0.000 0.443 75 A N 1.210 124.009 122.820 -0.034 0.000 2.019 75 A HA -0.106 4.218 4.320 0.008 0.000 0.219 75 A C 2.020 179.596 177.584 -0.013 0.000 1.164 75 A CA 1.497 53.518 52.037 -0.027 0.000 0.644 75 A CB -0.346 18.641 19.000 -0.021 0.000 0.805 75 A HN 0.151 nan 8.150 nan 0.000 0.449 76 S N -0.336 115.357 115.700 -0.011 0.000 2.555 76 S HA -0.070 4.405 4.470 0.008 0.000 0.230 76 S C 1.789 176.386 174.600 -0.006 0.000 0.978 76 S CA 1.399 59.596 58.200 -0.005 0.000 0.934 76 S CB -0.403 62.794 63.200 -0.005 0.000 0.766 76 S HN 0.893 nan 8.310 nan 0.000 0.533 77 T N -1.158 113.389 114.554 -0.011 0.000 3.086 77 T HA 0.236 4.590 4.350 0.008 0.000 0.250 77 T C 0.422 175.114 174.700 -0.014 0.000 1.074 77 T CA -0.174 61.919 62.100 -0.011 0.000 0.988 77 T CB -0.180 68.680 68.868 -0.014 0.000 0.988 77 T HN 0.012 nan 8.240 nan 0.000 0.530 78 V N 2.055 121.960 119.914 -0.016 0.000 2.498 78 V HA 0.431 4.555 4.120 0.008 0.000 0.279 78 V C 0.068 176.158 176.094 -0.007 0.000 1.048 78 V CA -0.820 61.469 62.300 -0.018 0.000 0.967 78 V CB 1.243 33.049 31.823 -0.028 0.000 0.988 78 V HN 0.413 nan 8.190 nan 0.000 0.473 79 K N 3.631 124.028 120.400 -0.006 0.000 2.244 79 K HA 0.799 5.124 4.320 0.008 0.000 0.260 79 K C -0.729 175.871 176.600 -0.000 0.000 0.951 79 K CA -0.407 55.880 56.287 0.002 0.000 0.826 79 K CB 1.666 34.168 32.500 0.004 0.000 1.108 79 K HN 0.831 nan 8.250 nan 0.000 0.433 80 A N 3.662 126.486 122.820 0.007 0.000 2.435 80 A HA 0.539 4.864 4.320 0.008 0.000 0.304 80 A C -1.481 176.117 177.584 0.023 0.000 1.064 80 A CA -0.952 51.090 52.037 0.008 0.000 0.727 80 A CB 1.186 20.185 19.000 -0.002 0.000 1.284 80 A HN 0.836 nan 8.150 nan 0.000 0.415 81 K N 1.298 121.716 120.400 0.029 0.000 2.221 81 K HA 0.741 5.065 4.320 0.008 0.000 0.243 81 K C -1.284 175.341 176.600 0.042 0.000 0.968 81 K CA -0.757 55.550 56.287 0.034 0.000 0.846 81 K CB 1.317 33.833 32.500 0.028 0.000 1.141 81 K HN 0.373 nan 8.250 nan 0.000 0.434 82 L N 2.291 123.534 121.223 0.034 0.000 2.397 82 L HA 0.207 4.551 4.340 0.008 0.000 0.271 82 L C -0.580 176.273 176.870 -0.027 0.000 1.148 82 L CA -0.327 54.521 54.840 0.013 0.000 0.825 82 L CB 0.585 42.648 42.059 0.007 0.000 1.117 82 L HN 0.603 nan 8.230 nan 0.000 0.456 83 L N 2.739 123.927 121.223 -0.059 0.000 2.375 83 L HA 0.392 4.736 4.340 0.008 0.000 0.271 83 L C 0.558 177.321 176.870 -0.178 0.000 1.107 83 L CA 0.236 55.020 54.840 -0.093 0.000 0.806 83 L CB 1.339 43.343 42.059 -0.092 0.000 1.146 83 L HN 0.827 nan 8.230 nan 0.000 0.447 84 S N 1.535 117.144 115.700 -0.153 0.000 2.608 84 S HA 0.184 4.658 4.470 0.008 0.000 0.261 84 S C 1.337 175.805 174.600 -0.220 0.000 1.314 84 S CA -0.595 57.500 58.200 -0.176 0.000 0.992 84 S CB 0.710 63.842 63.200 -0.114 0.000 0.935 84 S HN 0.337 nan 8.310 nan 0.000 0.564 85 V N 1.632 121.401 119.914 -0.242 0.000 2.287 85 V HA -0.195 3.930 4.120 0.008 0.000 0.248 85 V C 2.693 178.666 176.094 -0.201 0.000 1.053 85 V CA 2.422 64.552 62.300 -0.283 0.000 1.027 85 V CB -1.254 30.334 31.823 -0.392 0.000 0.646 85 V HN 0.928 nan 8.190 nan 0.000 0.447 86 E N -0.495 119.617 120.200 -0.147 0.000 2.150 86 E HA -0.203 4.152 4.350 0.008 0.000 0.193 86 E C 2.251 178.778 176.600 -0.122 0.000 0.985 86 E CA 1.044 57.373 56.400 -0.118 0.000 0.814 86 E CB -0.087 29.563 29.700 -0.083 0.000 0.752 86 E HN 0.675 nan 8.360 nan 0.000 0.466 87 E N 0.504 120.625 120.200 -0.131 0.000 2.072 87 E HA -0.163 4.192 4.350 0.008 0.000 0.191 87 E C 2.050 178.533 176.600 -0.195 0.000 0.985 87 E CA 0.896 57.209 56.400 -0.145 0.000 0.801 87 E CB -0.043 29.578 29.700 -0.132 0.000 0.750 87 E HN 0.218 nan 8.360 nan 0.000 0.452 88 A N 0.560 123.261 122.820 -0.198 0.000 1.898 88 A HA -0.185 4.139 4.320 0.008 0.000 0.216 88 A C 2.412 179.886 177.584 -0.183 0.000 1.181 88 A CA 1.167 53.078 52.037 -0.209 0.000 0.620 88 A CB -0.828 18.064 19.000 -0.181 0.000 0.819 88 A HN 0.376 nan 8.150 nan 0.000 0.442 89 C N -0.109 119.098 119.300 -0.156 0.000 2.413 89 C HA -0.082 4.383 4.460 0.008 0.000 0.276 89 C C 2.588 177.502 174.990 -0.126 0.000 1.248 89 C CA 1.169 60.110 59.018 -0.129 0.000 1.742 89 C CB -0.848 26.822 27.740 -0.118 0.000 2.017 89 C HN 0.499 nan 8.230 nan 0.000 0.481 90 K N 0.784 121.111 120.400 -0.123 0.000 2.360 90 K HA -0.013 4.312 4.320 0.008 0.000 0.201 90 K C 1.482 178.021 176.600 -0.101 0.000 1.046 90 K CA 0.968 57.198 56.287 -0.094 0.000 0.945 90 K CB -0.381 32.070 32.500 -0.082 0.000 0.750 90 K HN 0.569 nan 8.250 nan 0.000 0.464 91 L N 0.834 121.945 121.223 -0.186 0.000 2.591 91 L HA 0.008 4.352 4.340 0.008 0.000 0.228 91 L C 0.404 177.150 176.870 -0.207 0.000 1.133 91 L CA 0.167 54.855 54.840 -0.253 0.000 0.880 91 L CB -0.057 41.746 42.059 -0.428 0.000 1.033 91 L HN -0.109 nan 8.230 nan 0.000 0.450 92 T N 1.909 116.354 114.554 -0.181 0.000 2.761 92 T HA 0.224 4.578 4.350 0.008 0.000 0.296 92 T C -2.289 172.210 174.700 -0.335 0.000 0.934 92 T CA -1.179 60.793 62.100 -0.213 0.000 1.091 92 T CB 0.995 69.763 68.868 -0.166 0.000 0.896 92 T HN -0.136 nan 8.240 nan 0.000 0.515 93 P HA 0.094 nan 4.420 nan 0.000 0.267 93 P C -1.840 175.044 177.300 -0.694 0.000 1.200 93 P CA -1.325 61.346 63.100 -0.715 0.000 0.772 93 P CB 0.154 31.375 31.700 -0.798 0.000 0.855 94 P HA -0.145 nan 4.420 nan 0.000 0.221 94 P C 0.887 178.059 177.300 -0.212 0.000 1.150 94 P CA 1.612 64.491 63.100 -0.368 0.000 0.800 94 P CB -0.465 31.070 31.700 -0.276 0.000 0.787 95 H N -2.656 116.300 119.070 -0.190 0.000 2.524 95 H HA 0.303 4.862 4.556 0.006 0.000 0.280 95 H C 0.213 175.465 175.328 -0.127 0.000 1.018 95 H CA -0.232 55.740 56.048 -0.127 0.000 1.165 95 H CB -0.338 29.363 29.762 -0.101 0.000 1.411 95 H HN -0.069 nan 8.280 nan 0.000 0.569 96 S N 0.913 116.416 115.700 -0.329 0.000 2.576 96 S HA 0.409 4.883 4.470 0.008 0.000 0.276 96 S C 0.524 175.030 174.600 -0.157 0.000 1.339 96 S CA -0.209 57.829 58.200 -0.270 0.000 1.039 96 S CB 0.236 63.272 63.200 -0.274 0.000 0.902 96 S HN 0.665 nan 8.310 nan 0.000 0.516 97 A N 4.859 127.577 122.820 -0.169 0.000 2.566 97 A HA 0.196 4.521 4.320 0.008 0.000 0.245 97 A C 0.629 178.181 177.584 -0.054 0.000 1.056 97 A CA -0.036 51.942 52.037 -0.099 0.000 0.757 97 A CB -0.262 18.666 19.000 -0.119 0.000 0.979 97 A HN 0.854 nan 8.150 nan 0.000 0.508 98 K N 2.495 122.864 120.400 -0.052 0.000 2.276 98 K HA 0.289 4.614 4.320 0.008 0.000 0.259 98 K C 0.352 176.868 176.600 -0.139 0.000 1.001 98 K CA 0.024 56.254 56.287 -0.095 0.000 0.927 98 K CB 0.431 32.879 32.500 -0.088 0.000 0.969 98 K HN 0.442 nan 8.250 nan 0.000 0.490 99 S N 0.476 115.987 115.700 -0.315 0.000 2.579 99 S HA 0.031 4.506 4.470 0.008 0.000 0.275 99 S C 0.751 175.146 174.600 -0.341 0.000 1.345 99 S CA -0.403 57.561 58.200 -0.394 0.000 1.031 99 S CB 0.606 63.193 63.200 -1.023 0.000 0.892 99 S HN 0.695 nan 8.310 nan 0.000 0.529 100 K N 1.986 122.171 120.400 -0.358 0.000 2.362 100 K HA 0.002 4.326 4.320 0.008 0.000 0.200 100 K C 0.022 176.173 176.600 -0.748 0.000 1.046 100 K CA 1.046 56.987 56.287 -0.577 0.000 0.952 100 K CB -0.102 31.939 32.500 -0.766 0.000 0.753 100 K HN 0.608 nan 8.250 nan 0.000 0.466 101 F N 0.280 120.034 119.950 -0.326 0.000 2.819 101 F HA 0.256 4.791 4.527 0.015 0.000 0.294 101 F C 0.897 176.594 175.800 -0.171 0.000 1.166 101 F CA -0.368 57.455 58.000 -0.296 0.000 1.374 101 F CB 0.759 39.429 39.000 -0.551 0.000 0.956 101 F HN 0.018 nan 8.300 nan 0.000 0.509 102 G N 0.858 109.600 108.800 -0.097 0.000 2.248 102 G HA2 -0.255 3.709 3.960 0.008 0.000 0.252 102 G HA3 -0.255 3.709 3.960 0.008 0.000 0.252 102 G C -0.538 174.443 174.900 0.135 0.000 1.085 102 G CA 0.085 45.193 45.100 0.014 0.000 0.845 102 G HN 0.599 nan 8.290 nan 0.000 0.494 103 Y N -2.998 117.302 120.300 0.001 0.000 2.641 103 Y HA 0.744 5.301 4.550 0.011 0.000 0.333 103 Y C 0.228 176.130 175.900 0.003 0.000 1.174 103 Y CA -1.101 57.002 58.100 0.005 0.000 1.057 103 Y CB 0.495 38.966 38.460 0.018 0.000 1.322 103 Y HN 0.822 nan 8.280 nan 0.000 0.457 104 G N -0.078 108.809 108.800 0.144 0.000 2.816 104 G HA2 0.564 4.529 3.960 0.008 0.000 0.288 104 G HA3 0.564 4.529 3.960 0.008 0.000 0.288 104 G C 0.288 175.233 174.900 0.074 0.000 1.334 104 G CA -0.768 44.352 45.100 0.033 0.000 0.978 104 G HN 1.281 nan 8.290 nan 0.000 0.493 105 A N -0.104 122.711 122.820 -0.007 0.000 1.927 105 A HA -0.124 4.201 4.320 0.008 0.000 0.220 105 A C 2.162 179.717 177.584 -0.048 0.000 1.185 105 A CA 2.343 54.350 52.037 -0.049 0.000 0.639 105 A CB -0.455 18.466 19.000 -0.132 0.000 0.820 105 A HN 0.587 nan 8.150 nan 0.000 0.451 106 K N -0.579 119.799 120.400 -0.038 0.000 2.217 106 K HA -0.080 4.244 4.320 0.008 0.000 0.202 106 K C 1.367 177.958 176.600 -0.015 0.000 1.051 106 K CA 1.178 57.440 56.287 -0.042 0.000 0.952 106 K CB -0.084 32.394 32.500 -0.036 0.000 0.736 106 K HN 0.466 nan 8.250 nan 0.000 0.453 107 D N 0.233 120.649 120.400 0.026 0.000 2.144 107 D HA -0.125 4.520 4.640 0.008 0.000 0.200 107 D C 1.892 178.191 176.300 -0.002 0.000 0.978 107 D CA 0.880 54.899 54.000 0.031 0.000 0.833 107 D CB -0.174 40.685 40.800 0.098 0.000 0.961 107 D HN -0.061 nan 8.370 nan 0.000 0.470 108 V N 1.355 121.286 119.914 0.027 0.000 2.244 108 V HA -0.221 3.903 4.120 0.008 0.000 0.244 108 V C 2.550 178.609 176.094 -0.059 0.000 1.042 108 V CA 1.544 63.834 62.300 -0.018 0.000 1.006 108 V CB -0.326 31.514 31.823 0.029 0.000 0.641 108 V HN 0.122 nan 8.190 nan 0.000 0.446 109 R N 0.337 120.795 120.500 -0.070 0.000 2.105 109 R HA -0.155 4.190 4.340 0.008 0.000 0.239 109 R C 1.899 178.161 176.300 -0.063 0.000 1.135 109 R CA 1.600 57.649 56.100 -0.086 0.000 0.967 109 R CB -0.484 29.744 30.300 -0.119 0.000 0.861 109 R HN 0.498 nan 8.270 nan 0.000 0.442 110 N N 0.735 119.405 118.700 -0.050 0.000 2.521 110 N HA 0.012 4.757 4.740 0.008 0.000 0.188 110 N C 0.349 175.834 175.510 -0.043 0.000 1.146 110 N CA 0.422 53.449 53.050 -0.039 0.000 0.893 110 N CB 0.082 38.552 38.487 -0.028 0.000 0.975 110 N HN 0.172 nan 8.380 nan 0.000 0.451 111 L N 0.111 121.300 121.223 -0.057 0.000 3.865 111 L HA -0.223 4.121 4.340 0.008 0.000 0.408 111 L C 0.251 177.083 176.870 -0.063 0.000 1.209 111 L CA -0.023 54.778 54.840 -0.066 0.000 0.940 111 L CB -2.576 39.450 42.059 -0.056 0.000 1.971 111 L HN 0.142 nan 8.230 nan 0.000 0.899 112 S N -0.431 115.229 115.700 -0.066 0.000 2.572 112 S HA 0.305 4.779 4.470 0.008 0.000 0.279 112 S C 1.464 176.014 174.600 -0.083 0.000 1.341 112 S CA 0.047 58.212 58.200 -0.059 0.000 1.043 112 S CB 1.702 64.875 63.200 -0.045 0.000 0.887 112 S HN 0.501 nan 8.310 nan 0.000 0.516 113 S N 2.730 118.395 115.700 -0.058 0.000 2.461 113 S HA -0.029 4.446 4.470 0.008 0.000 0.228 113 S C 1.650 176.209 174.600 -0.068 0.000 1.005 113 S CA 0.599 58.769 58.200 -0.050 0.000 0.942 113 S CB -0.420 62.766 63.200 -0.024 0.000 0.776 113 S HN 0.836 nan 8.310 nan 0.000 0.514 114 K N 1.486 121.838 120.400 -0.081 0.000 2.097 114 K HA 0.058 4.383 4.320 0.008 0.000 0.205 114 K C 2.280 178.712 176.600 -0.279 0.000 1.050 114 K CA 1.044 57.276 56.287 -0.093 0.000 0.938 114 K CB -0.533 31.950 32.500 -0.028 0.000 0.718 114 K HN 0.445 nan 8.250 nan 0.000 0.442 115 A N 0.699 123.232 122.820 -0.477 0.000 1.855 115 A HA -0.095 4.230 4.320 0.008 0.000 0.215 115 A C 2.204 179.489 177.584 -0.498 0.000 1.191 115 A CA 1.513 52.965 52.037 -0.975 0.000 0.613 115 A CB -0.654 17.946 19.000 -0.666 0.000 0.829 115 A HN 0.150 nan 8.150 nan 0.000 0.442 116 V N 1.094 120.846 119.914 -0.271 0.000 2.407 116 V HA -0.249 3.875 4.120 0.008 0.000 0.248 116 V C 2.199 178.246 176.094 -0.079 0.000 1.055 116 V CA 2.151 64.340 62.300 -0.184 0.000 1.049 116 V CB -1.021 30.746 31.823 -0.094 0.000 0.662 116 V HN 0.540 nan 8.190 nan 0.000 0.455 117 N N -0.802 117.885 118.700 -0.020 0.000 2.207 117 N HA -0.125 4.619 4.740 0.008 0.000 0.182 117 N C 1.859 177.398 175.510 0.047 0.000 1.020 117 N CA 1.261 54.350 53.050 0.066 0.000 0.858 117 N CB -0.571 37.940 38.487 0.040 0.000 0.991 117 N HN 0.620 nan 8.380 nan 0.000 0.427 118 H N 0.890 119.905 119.070 -0.092 0.000 2.352 118 H HA -0.008 4.554 4.556 0.010 0.000 0.299 118 H C 1.941 177.246 175.328 -0.039 0.000 1.097 118 H CA 1.216 57.230 56.048 -0.056 0.000 1.311 118 H CB -0.013 29.771 29.762 0.037 0.000 1.377 118 H HN 0.119 nan 8.280 nan 0.000 0.504 119 I N 0.154 120.621 120.570 -0.172 0.000 2.208 119 I HA -0.309 3.865 4.170 0.008 0.000 0.245 119 I C 2.327 178.346 176.117 -0.164 0.000 1.097 119 I CA 1.609 62.787 61.300 -0.205 0.000 1.363 119 I CB -0.418 37.446 38.000 -0.227 0.000 1.051 119 I HN 0.342 nan 8.210 nan 0.000 0.413 120 H N -0.197 118.830 119.070 -0.071 0.000 2.421 120 H HA -0.139 4.421 4.556 0.008 0.000 0.298 120 H C 2.520 177.857 175.328 0.015 0.000 1.087 120 H CA 1.654 57.696 56.048 -0.010 0.000 1.330 120 H CB 0.041 29.786 29.762 -0.029 0.000 1.388 120 H HN 0.385 nan 8.280 nan 0.000 0.526 121 S N -0.098 115.630 115.700 0.047 0.000 2.387 121 S HA -0.114 4.361 4.470 0.008 0.000 0.226 121 S C 2.255 176.805 174.600 -0.084 0.000 1.026 121 S CA 1.006 59.193 58.200 -0.022 0.000 0.972 121 S CB -0.663 62.503 63.200 -0.057 0.000 0.814 121 S HN 0.146 nan 8.310 nan 0.000 0.477 122 V N 1.199 120.996 119.914 -0.195 0.000 2.287 122 V HA -0.166 3.958 4.120 0.008 0.000 0.248 122 V C 2.258 178.346 176.094 -0.010 0.000 1.053 122 V CA 1.987 64.189 62.300 -0.163 0.000 1.027 122 V CB -1.172 30.509 31.823 -0.237 0.000 0.646 122 V HN 0.724 nan 8.190 nan 0.000 0.447 123 W N 1.356 122.590 121.300 -0.111 0.000 2.318 123 W HA -0.274 4.390 4.660 0.006 0.000 0.313 123 W C 2.554 179.049 176.519 -0.039 0.000 1.221 123 W CA 2.448 59.757 57.345 -0.060 0.000 1.266 123 W CB -0.147 29.293 29.460 -0.034 0.000 1.150 123 W HN 0.256 nan 8.180 nan 0.000 0.496 124 K N 0.500 120.950 120.400 0.083 0.000 2.057 124 K HA -0.271 4.053 4.320 0.008 0.000 0.207 124 K C 1.783 178.323 176.600 -0.100 0.000 1.049 124 K CA 2.272 58.551 56.287 -0.013 0.000 0.931 124 K CB -0.622 31.905 32.500 0.046 0.000 0.714 124 K HN 0.020 nan 8.250 nan 0.000 0.440 125 D N 0.243 120.590 120.400 -0.089 0.000 2.144 125 D HA -0.150 4.494 4.640 0.008 0.000 0.199 125 D C 1.962 178.177 176.300 -0.143 0.000 0.984 125 D CA 0.988 54.929 54.000 -0.098 0.000 0.834 125 D CB 0.047 40.797 40.800 -0.083 0.000 0.955 125 D HN 0.210 nan 8.370 nan 0.000 0.465 126 L N -0.059 121.042 121.223 -0.203 0.000 2.046 126 L HA -0.153 4.191 4.340 0.008 0.000 0.208 126 L C 2.492 179.180 176.870 -0.303 0.000 1.077 126 L CA 0.723 55.403 54.840 -0.266 0.000 0.747 126 L CB -0.368 41.469 42.059 -0.371 0.000 0.896 126 L HN 0.240 nan 8.230 nan 0.000 0.432 127 L N -0.819 120.183 121.223 -0.368 0.000 2.141 127 L HA -0.155 4.190 4.340 0.008 0.000 0.209 127 L C 2.529 179.299 176.870 -0.168 0.000 1.094 127 L CA 0.984 55.645 54.840 -0.298 0.000 0.763 127 L CB -0.401 41.476 42.059 -0.303 0.000 0.908 127 L HN 0.319 nan 8.230 nan 0.000 0.437 128 E N -0.821 119.298 120.200 -0.134 0.000 2.250 128 E HA -0.033 4.322 4.350 0.008 0.000 0.192 128 E C 0.160 176.716 176.600 -0.074 0.000 0.986 128 E CA 0.417 56.766 56.400 -0.085 0.000 0.849 128 E CB 0.207 29.868 29.700 -0.066 0.000 0.797 128 E HN 0.258 nan 8.360 nan 0.000 0.482 129 D N 0.422 120.770 120.400 -0.086 0.000 2.620 129 D HA 0.077 4.722 4.640 0.008 0.000 0.252 129 D C -0.156 176.097 176.300 -0.079 0.000 1.207 129 D CA -0.368 53.591 54.000 -0.068 0.000 0.884 129 D CB 1.394 42.160 40.800 -0.057 0.000 1.262 129 D HN -0.102 nan 8.370 nan 0.000 0.552 130 T N 0.410 114.926 114.554 -0.063 0.000 3.228 130 T HA 0.273 4.627 4.350 0.008 0.000 0.278 130 T C 0.843 175.517 174.700 -0.043 0.000 1.014 130 T CA -0.139 61.924 62.100 -0.062 0.000 0.904 130 T CB 0.166 69.002 68.868 -0.055 0.000 1.110 130 T HN 0.143 nan 8.240 nan 0.000 0.541 131 V N -0.051 119.842 119.914 -0.036 0.000 3.305 131 V HA 0.209 4.334 4.120 0.008 0.000 0.247 131 V C 0.807 176.894 176.094 -0.013 0.000 1.426 131 V CA 0.152 62.440 62.300 -0.021 0.000 1.162 131 V CB 0.500 32.313 31.823 -0.016 0.000 0.961 131 V HN 0.454 nan 8.190 nan 0.000 0.449 132 T N 4.316 118.860 114.554 -0.017 0.000 2.738 132 T HA 0.266 4.620 4.350 0.008 0.000 0.293 132 T C -2.474 172.225 174.700 -0.002 0.000 0.913 132 T CA -0.797 61.301 62.100 -0.004 0.000 1.103 132 T CB 0.873 69.738 68.868 -0.005 0.000 0.880 132 T HN 0.151 nan 8.240 nan 0.000 0.526 133 P HA 0.126 nan 4.420 nan 0.000 0.265 133 P C -0.223 177.076 177.300 -0.002 0.000 1.187 133 P CA -0.086 63.025 63.100 0.018 0.000 0.766 133 P CB 0.366 32.117 31.700 0.084 0.000 0.820 134 I N 2.162 122.712 120.570 -0.032 0.000 2.365 134 I HA 0.138 4.313 4.170 0.008 0.000 0.291 134 I C 0.923 177.021 176.117 -0.031 0.000 1.004 134 I CA -0.469 60.816 61.300 -0.026 0.000 1.311 134 I CB 0.719 38.692 38.000 -0.045 0.000 1.401 134 I HN 0.314 nan 8.210 nan 0.000 0.491 135 D N 4.508 124.906 120.400 -0.004 0.000 2.443 135 D HA 0.155 4.800 4.640 0.008 0.000 0.239 135 D C -0.289 175.980 176.300 -0.052 0.000 1.136 135 D CA 0.292 54.278 54.000 -0.022 0.000 0.879 135 D CB 0.779 41.583 40.800 0.007 0.000 1.195 135 D HN 0.613 nan 8.370 nan 0.000 0.443 136 T N -0.409 114.086 114.554 -0.098 0.000 2.906 136 T HA 0.590 4.945 4.350 0.008 0.000 0.295 136 T C -0.301 174.253 174.700 -0.242 0.000 1.061 136 T CA -0.979 61.024 62.100 -0.161 0.000 1.000 136 T CB 1.533 70.329 68.868 -0.121 0.000 1.103 136 T HN 0.219 nan 8.240 nan 0.000 0.486 137 T N 2.384 116.644 114.554 -0.491 0.000 2.837 137 T HA 0.556 4.910 4.350 0.008 0.000 0.285 137 T C -0.249 174.197 174.700 -0.423 0.000 0.984 137 T CA -0.579 61.212 62.100 -0.516 0.000 1.049 137 T CB 0.668 69.078 68.868 -0.764 0.000 0.947 137 T HN 0.712 nan 8.240 nan 0.000 0.472 138 I N 4.149 124.627 120.570 -0.153 0.000 2.354 138 I HA 0.516 4.691 4.170 0.008 0.000 0.292 138 I C -0.821 175.321 176.117 0.041 0.000 0.989 138 I CA -0.733 60.562 61.300 -0.008 0.000 1.188 138 I CB 0.527 38.576 38.000 0.081 0.000 1.342 138 I HN 0.442 nan 8.210 nan 0.000 0.457 139 M N 6.541 126.213 119.600 0.120 0.000 2.550 139 M HA 0.493 4.978 4.480 0.008 0.000 0.292 139 M C -0.629 175.738 176.300 0.112 0.000 1.221 139 M CA -0.659 54.722 55.300 0.135 0.000 0.873 139 M CB 1.925 34.666 32.600 0.235 0.000 1.727 139 M HN 0.579 nan 8.290 nan 0.000 0.459 140 A N 2.189 125.054 122.820 0.075 0.000 2.366 140 A HA 0.459 4.784 4.320 0.008 0.000 0.272 140 A C -0.103 177.522 177.584 0.068 0.000 1.135 140 A CA -0.369 51.705 52.037 0.062 0.000 0.804 140 A CB 0.257 19.280 19.000 0.039 0.000 1.064 140 A HN 0.788 nan 8.150 nan 0.000 0.499 141 K N 1.671 122.113 120.400 0.069 0.000 2.237 141 K HA 0.128 4.453 4.320 0.008 0.000 0.270 141 K C -0.609 176.006 176.600 0.025 0.000 1.015 141 K CA 0.137 56.453 56.287 0.048 0.000 0.949 141 K CB 0.518 33.054 32.500 0.060 0.000 0.976 141 K HN 0.781 nan 8.250 nan 0.000 0.472 142 N N 2.628 121.313 118.700 -0.025 0.000 2.546 142 N HA 0.119 4.863 4.740 0.008 0.000 0.238 142 N C -1.356 174.036 175.510 -0.197 0.000 0.984 142 N CA -0.382 52.617 53.050 -0.086 0.000 0.935 142 N CB 1.063 39.495 38.487 -0.092 0.000 1.122 142 N HN 0.391 nan 8.380 nan 0.000 0.510 143 E N 0.862 120.936 120.200 -0.209 0.000 2.288 143 E HA 0.434 4.789 4.350 0.008 0.000 0.268 143 E C -0.909 175.284 176.600 -0.677 0.000 0.885 143 E CA -1.004 55.147 56.400 -0.415 0.000 0.767 143 E CB 2.546 32.060 29.700 -0.310 0.000 1.220 143 E HN 0.076 nan 8.360 nan 0.000 0.427 144 V N 3.164 122.533 119.914 -0.909 0.000 2.439 144 V HA 0.455 4.580 4.120 0.008 0.000 0.282 144 V C -0.723 174.709 176.094 -1.102 0.000 1.039 144 V CA -0.204 61.584 62.300 -0.854 0.000 0.913 144 V CB -0.010 31.453 31.823 -0.601 0.000 0.983 144 V HN 0.519 nan 8.190 nan 0.000 0.460 145 F N 2.182 121.791 119.950 -0.569 0.000 2.706 145 F HA 0.633 5.164 4.527 0.006 0.000 0.328 145 F C 0.103 175.726 175.800 -0.295 0.000 1.123 145 F CA -0.791 56.957 58.000 -0.419 0.000 0.978 145 F CB 1.249 40.000 39.000 -0.416 0.000 1.404 145 F HN 0.492 nan 8.300 nan 0.000 0.497 146 C N 2.508 121.911 119.300 0.171 0.000 2.355 146 C HA 0.786 5.250 4.460 0.008 0.000 0.332 146 C C 0.034 175.252 174.990 0.379 0.000 1.255 146 C CA -0.734 58.430 59.018 0.242 0.000 1.792 146 C CB 0.051 27.881 27.740 0.150 0.000 2.300 146 C HN 0.708 nan 8.230 nan 0.000 0.515 147 V N 5.118 125.274 119.914 0.404 0.000 2.999 147 V HA 0.441 4.566 4.120 0.008 0.000 0.307 147 V C -0.109 176.069 176.094 0.141 0.000 1.084 147 V CA 0.361 62.819 62.300 0.264 0.000 1.155 147 V CB 0.328 32.219 31.823 0.114 0.000 0.975 147 V HN 1.309 nan 8.190 nan 0.000 0.490 155 K N 3.366 123.785 120.400 0.030 0.000 2.298 155 K HA 0.252 4.576 4.320 0.008 0.000 0.280 155 K C -2.029 174.595 176.600 0.040 0.000 1.032 155 K CA -1.479 54.785 56.287 -0.038 0.000 0.958 155 K CB 0.455 32.791 32.500 -0.273 0.000 0.978 155 K HN 0.227 nan 8.250 nan 0.000 0.472 156 P HA 0.015 nan 4.420 nan 0.000 0.272 156 P C -0.762 176.577 177.300 0.064 0.000 1.240 156 P CA -0.471 62.651 63.100 0.035 0.000 0.791 156 P CB 0.512 32.215 31.700 0.005 0.000 0.978 157 A N 2.593 125.459 122.820 0.077 0.000 2.531 157 A HA 0.042 4.367 4.320 0.008 0.000 0.236 157 A C 0.663 178.293 177.584 0.078 0.000 1.062 157 A CA 0.040 52.132 52.037 0.092 0.000 0.760 157 A CB -0.416 18.625 19.000 0.068 0.000 0.995 157 A HN 0.432 nan 8.150 nan 0.000 0.501 158 R N 0.612 121.176 120.500 0.105 0.000 2.594 158 R HA 0.300 4.644 4.340 0.008 0.000 0.272 158 R C -0.783 175.573 176.300 0.094 0.000 1.074 158 R CA -0.571 55.591 56.100 0.103 0.000 1.105 158 R CB 0.252 30.630 30.300 0.129 0.000 1.008 158 R HN 0.493 nan 8.270 nan 0.000 0.472 159 L N 2.811 124.092 121.223 0.097 0.000 2.343 159 L HA 0.471 4.816 4.340 0.008 0.000 0.275 159 L C -0.101 176.858 176.870 0.149 0.000 1.056 159 L CA -0.524 54.379 54.840 0.105 0.000 0.804 159 L CB 0.941 43.051 42.059 0.084 0.000 1.203 159 L HN 0.511 nan 8.230 nan 0.000 0.440 160 I N 1.731 122.408 120.570 0.178 0.000 2.498 160 I HA 0.586 4.761 4.170 0.008 0.000 0.290 160 I C -1.125 175.172 176.117 0.299 0.000 1.032 160 I CA -0.315 61.127 61.300 0.237 0.000 1.073 160 I CB 1.889 40.023 38.000 0.222 0.000 1.251 160 I HN 0.194 nan 8.210 nan 0.000 0.426 161 V N 8.733 128.820 119.914 0.288 0.000 2.407 161 V HA 0.577 4.702 4.120 0.008 0.000 0.291 161 V C -0.806 175.451 176.094 0.272 0.000 1.018 161 V CA -0.456 61.966 62.300 0.202 0.000 0.842 161 V CB 0.979 32.902 31.823 0.168 0.000 0.996 161 V HN 0.584 nan 8.190 nan 0.000 0.426 162 F N 5.203 125.198 119.950 0.076 0.000 2.601 162 F HA 0.946 5.475 4.527 0.002 0.000 0.309 162 F C -3.021 172.815 175.800 0.059 0.000 1.089 162 F CA -2.758 55.285 58.000 0.072 0.000 0.940 162 F CB 1.717 40.753 39.000 0.060 0.000 1.273 162 F HN 0.291 nan 8.300 nan 0.000 0.450 163 P HA 0.191 nan 4.420 nan 0.000 0.282 163 P C -1.036 176.382 177.300 0.197 0.000 1.287 163 P CA -0.158 63.002 63.100 0.100 0.000 0.792 163 P CB 1.110 32.871 31.700 0.101 0.000 1.163 164 D N -1.018 119.480 120.400 0.163 0.000 2.378 164 D HA -0.039 4.605 4.640 0.008 0.000 0.238 164 D C 1.337 177.768 176.300 0.217 0.000 1.180 164 D CA -0.297 53.828 54.000 0.208 0.000 0.895 164 D CB 0.266 41.236 40.800 0.284 0.000 1.192 164 D HN 0.087 nan 8.370 nan 0.000 0.438 165 L N 3.119 124.451 121.223 0.182 0.000 2.081 165 L HA -0.004 4.340 4.340 0.008 0.000 0.212 165 L C 2.030 179.036 176.870 0.227 0.000 1.080 165 L CA 2.502 57.435 54.840 0.156 0.000 0.754 165 L CB -1.076 41.029 42.059 0.076 0.000 0.893 165 L HN 0.659 nan 8.230 nan 0.000 0.433 166 G N -1.337 107.669 108.800 0.343 0.000 2.422 166 G HA2 -0.191 3.773 3.960 0.008 0.000 0.218 166 G HA3 -0.191 3.773 3.960 0.008 0.000 0.218 166 G C 1.512 176.504 174.900 0.153 0.000 1.146 166 G CA 1.038 46.333 45.100 0.323 0.000 0.769 166 G HN 0.358 nan 8.290 nan 0.000 0.547 167 V N 0.633 120.642 119.914 0.158 0.000 2.427 167 V HA -0.121 4.003 4.120 0.008 0.000 0.248 167 V C 2.890 179.056 176.094 0.120 0.000 1.051 167 V CA 1.723 64.090 62.300 0.112 0.000 1.048 167 V CB -0.436 31.446 31.823 0.098 0.000 0.666 167 V HN 0.315 nan 8.190 nan 0.000 0.456 168 R N -0.202 120.377 120.500 0.132 0.000 2.096 168 R HA -0.110 4.235 4.340 0.008 0.000 0.235 168 R C 2.219 178.567 176.300 0.080 0.000 1.127 168 R CA 1.364 57.532 56.100 0.114 0.000 0.968 168 R CB -0.565 29.795 30.300 0.100 0.000 0.861 168 R HN 0.426 nan 8.270 nan 0.000 0.440 169 V N 0.331 120.283 119.914 0.063 0.000 2.427 169 V HA -0.286 3.838 4.120 0.008 0.000 0.248 169 V C 2.459 178.565 176.094 0.020 0.000 1.051 169 V CA 1.486 63.791 62.300 0.009 0.000 1.048 169 V CB -0.456 31.357 31.823 -0.017 0.000 0.666 169 V HN 0.441 nan 8.190 nan 0.000 0.456 170 C N -0.130 119.227 119.300 0.094 0.000 2.446 170 C HA -0.120 4.344 4.460 0.008 0.000 0.277 170 C C 2.682 177.834 174.990 0.269 0.000 1.275 170 C CA 0.798 59.953 59.018 0.228 0.000 1.727 170 C CB -0.917 27.020 27.740 0.328 0.000 2.010 170 C HN 0.619 nan 8.230 nan 0.000 0.486 171 E N 0.854 121.172 120.200 0.197 0.000 2.070 171 E HA -0.260 4.095 4.350 0.008 0.000 0.197 171 E C 2.147 178.856 176.600 0.181 0.000 1.004 171 E CA 1.344 57.870 56.400 0.210 0.000 0.805 171 E CB -0.180 29.652 29.700 0.220 0.000 0.744 171 E HN 0.619 nan 8.360 nan 0.000 0.451 172 K N 0.322 120.796 120.400 0.123 0.000 2.009 172 K HA -0.153 4.171 4.320 0.008 0.000 0.210 172 K C 2.263 178.907 176.600 0.074 0.000 1.049 172 K CA 1.586 57.929 56.287 0.094 0.000 0.929 172 K CB -0.157 32.325 32.500 -0.029 0.000 0.714 172 K HN 0.116 nan 8.250 nan 0.000 0.440 173 M N 0.201 119.798 119.600 -0.005 0.000 2.073 173 M HA -0.242 4.243 4.480 0.008 0.000 0.258 173 M C 2.455 178.774 176.300 0.030 0.000 1.070 173 M CA 2.006 57.238 55.300 -0.114 0.000 1.103 173 M CB -0.469 31.871 32.600 -0.434 0.000 1.321 173 M HN 0.255 nan 8.290 nan 0.000 0.405 174 A N -0.681 122.282 122.820 0.238 0.000 1.929 174 A HA 0.002 4.327 4.320 0.008 0.000 0.216 174 A C 1.888 179.566 177.584 0.156 0.000 1.176 174 A CA 1.316 53.541 52.037 0.313 0.000 0.628 174 A CB -0.239 18.990 19.000 0.382 0.000 0.816 174 A HN 0.513 nan 8.150 nan 0.000 0.444 175 L N -3.280 118.018 121.223 0.125 0.000 3.039 175 L HA 0.193 4.537 4.340 0.008 0.000 0.269 175 L C 1.786 178.678 176.870 0.037 0.000 1.169 175 L CA -0.000 54.856 54.840 0.027 0.000 0.986 175 L CB 0.139 42.184 42.059 -0.023 0.000 1.377 175 L HN 0.447 nan 8.230 nan 0.000 0.575 176 Y N 1.426 121.729 120.300 0.005 0.000 2.114 176 Y HA -0.351 4.204 4.550 0.007 0.000 0.282 176 Y C 2.190 178.108 175.900 0.030 0.000 1.165 176 Y CA 2.376 60.491 58.100 0.025 0.000 1.148 176 Y CB 0.068 38.530 38.460 0.004 0.000 0.972 176 Y HN 0.237 nan 8.280 nan 0.000 0.504 177 D N -0.747 119.657 120.400 0.007 0.000 2.097 177 D HA -0.165 4.479 4.640 0.008 0.000 0.197 177 D C 2.264 178.490 176.300 -0.124 0.000 0.984 177 D CA 1.563 55.522 54.000 -0.068 0.000 0.826 177 D CB -0.285 40.538 40.800 0.037 0.000 0.973 177 D HN 0.247 nan 8.370 nan 0.000 0.460 178 V N 0.664 120.517 119.914 -0.103 0.000 2.252 178 V HA -0.266 3.858 4.120 0.008 0.000 0.249 178 V C 2.739 178.720 176.094 -0.188 0.000 1.056 178 V CA 2.042 64.260 62.300 -0.137 0.000 1.022 178 V CB -0.903 30.813 31.823 -0.179 0.000 0.641 178 V HN 0.342 nan 8.190 nan 0.000 0.445 179 V N -2.103 117.679 119.914 -0.220 0.000 2.667 179 V HA -0.110 4.014 4.120 0.008 0.000 0.252 179 V C 2.109 178.052 176.094 -0.251 0.000 1.065 179 V CA 2.121 64.288 62.300 -0.221 0.000 1.083 179 V CB -0.515 31.203 31.823 -0.176 0.000 0.692 179 V HN 0.486 nan 8.190 nan 0.000 0.468 180 S N 0.336 115.870 115.700 -0.276 0.000 2.436 180 S HA -0.040 4.435 4.470 0.008 0.000 0.228 180 S C 1.881 176.373 174.600 -0.179 0.000 1.014 180 S CA 1.606 59.663 58.200 -0.238 0.000 0.950 180 S CB -0.105 62.885 63.200 -0.350 0.000 0.784 180 S HN 0.764 nan 8.310 nan 0.000 0.504 181 T N 1.582 116.028 114.554 -0.181 0.000 3.056 181 T HA 0.244 4.599 4.350 0.008 0.000 0.241 181 T C 1.648 176.242 174.700 -0.177 0.000 1.006 181 T CA 0.029 62.043 62.100 -0.144 0.000 1.115 181 T CB -0.174 68.633 68.868 -0.102 0.000 0.939 181 T HN 0.174 nan 8.240 nan 0.000 0.462 182 L N 2.569 123.682 121.223 -0.183 0.000 2.027 182 L HA 0.078 4.423 4.340 0.008 0.000 0.206 182 L C -1.117 175.588 176.870 -0.275 0.000 1.074 182 L CA 1.888 56.625 54.840 -0.171 0.000 0.745 182 L CB -1.074 40.927 42.059 -0.097 0.000 0.898 182 L HN 0.077 nan 8.230 nan 0.000 0.433 183 P HA -0.210 nan 4.420 nan 0.000 0.215 183 P C 1.450 178.299 177.300 -0.752 0.000 1.153 183 P CA 1.300 63.982 63.100 -0.696 0.000 0.853 183 P CB -0.218 30.787 31.700 -1.159 0.000 0.788 184 Q N 0.083 119.473 119.800 -0.682 0.000 2.124 184 Q HA -0.106 4.239 4.340 0.008 0.000 0.202 184 Q C 1.973 177.842 176.000 -0.219 0.000 0.977 184 Q CA 1.473 57.076 55.803 -0.333 0.000 0.850 184 Q CB -0.705 27.938 28.738 -0.157 0.000 0.901 184 Q HN 0.073 nan 8.270 nan 0.000 0.429 185 V N 0.074 119.866 119.914 -0.203 0.000 2.307 185 V HA -0.218 3.906 4.120 0.008 0.000 0.245 185 V C 2.530 178.536 176.094 -0.147 0.000 1.045 185 V CA 1.516 63.734 62.300 -0.137 0.000 1.024 185 V CB -0.550 31.208 31.823 -0.108 0.000 0.651 185 V HN 0.138 nan 8.190 nan 0.000 0.449 186 V N -0.859 118.938 119.914 -0.195 0.000 2.427 186 V HA -0.187 3.938 4.120 0.008 0.000 0.248 186 V C 2.012 177.938 176.094 -0.279 0.000 1.051 186 V CA 2.090 64.272 62.300 -0.197 0.000 1.048 186 V CB -0.413 31.286 31.823 -0.206 0.000 0.666 186 V HN 0.484 nan 8.190 nan 0.000 0.456 187 M N -1.479 117.898 119.600 -0.372 0.000 2.308 187 M HA 0.343 4.828 4.480 0.008 0.000 0.269 187 M C 1.533 177.709 176.300 -0.207 0.000 1.040 187 M CA 0.664 55.666 55.300 -0.498 0.000 1.024 187 M CB 0.623 32.828 32.600 -0.658 0.000 1.465 187 M HN 0.433 nan 8.290 nan 0.000 0.517 188 G N 1.815 110.534 108.800 -0.135 0.000 2.684 188 G HA2 -0.427 3.538 3.960 0.008 0.000 0.332 188 G HA3 -0.427 3.538 3.960 0.008 0.000 0.332 188 G C 0.924 175.797 174.900 -0.046 0.000 1.306 188 G CA 1.241 46.307 45.100 -0.057 0.000 1.002 188 G HN 0.547 nan 8.290 nan 0.000 0.545 189 S N -0.830 114.879 115.700 0.015 0.000 2.515 189 S HA 0.141 4.616 4.470 0.008 0.000 0.231 189 S C 2.185 176.700 174.600 -0.141 0.000 0.987 189 S CA 1.681 59.884 58.200 0.005 0.000 0.936 189 S CB 0.017 63.340 63.200 0.204 0.000 0.766 189 S HN 0.850 nan 8.310 nan 0.000 0.528 190 S N 0.400 116.089 115.700 -0.018 0.000 2.515 190 S HA 0.098 4.572 4.470 0.008 0.000 0.231 190 S C 0.182 174.729 174.600 -0.089 0.000 0.987 190 S CA -0.013 58.187 58.200 -0.000 0.000 0.936 190 S CB -0.444 62.872 63.200 0.193 0.000 0.766 190 S HN 0.714 nan 8.310 nan 0.000 0.528 191 Y N 2.828 122.952 120.300 -0.293 0.000 2.539 191 Y HA 0.472 5.026 4.550 0.007 0.000 0.352 191 Y C 1.231 176.845 175.900 -0.476 0.000 1.004 191 Y CA -1.401 56.493 58.100 -0.343 0.000 1.278 191 Y CB 0.058 38.333 38.460 -0.310 0.000 1.136 191 Y HN 0.045 nan 8.280 nan 0.000 0.528 192 G N 4.372 112.622 108.800 -0.916 0.000 2.448 192 G HA2 -0.235 3.729 3.960 0.008 0.000 0.218 192 G HA3 -0.235 3.729 3.960 0.008 0.000 0.218 192 G C 1.006 175.352 174.900 -0.923 0.000 1.135 192 G CA 0.188 44.807 45.100 -0.802 0.000 0.784 192 G HN 0.631 nan 8.290 nan 0.000 0.543 193 F N 1.301 120.538 119.950 -1.188 0.000 2.748 193 F HA 0.059 4.591 4.527 0.008 0.000 0.299 193 F C 2.760 178.368 175.800 -0.320 0.000 1.154 193 F CA 0.680 58.162 58.000 -0.863 0.000 1.446 193 F CB -0.043 38.467 39.000 -0.816 0.000 1.112 193 F HN 0.372 nan 8.300 nan 0.000 0.584 194 Q N -0.838 118.739 119.800 -0.371 0.000 2.444 194 Q HA -0.067 4.278 4.340 0.008 0.000 0.206 194 Q C -0.752 175.164 176.000 -0.140 0.000 0.948 194 Q CA 0.654 56.344 55.803 -0.189 0.000 0.946 194 Q CB -0.267 28.278 28.738 -0.321 0.000 1.027 194 Q HN 0.267 nan 8.270 nan 0.000 0.513 195 Y N 1.810 122.137 120.300 0.046 0.000 2.331 195 Y HA 0.296 4.850 4.550 0.007 0.000 0.338 195 Y C 0.487 176.222 175.900 -0.275 0.000 0.992 195 Y CA -1.630 56.421 58.100 -0.083 0.000 1.121 195 Y CB 1.513 39.880 38.460 -0.153 0.000 1.184 195 Y HN 0.115 nan 8.280 nan 0.000 0.469 196 S N 3.342 118.747 115.700 -0.492 0.000 2.587 196 S HA 0.128 4.602 4.470 0.008 0.000 0.260 196 S C -1.897 172.357 174.600 -0.576 0.000 1.353 196 S CA -0.886 56.579 58.200 -1.225 0.000 0.995 196 S CB 0.949 63.607 63.200 -0.904 0.000 0.912 196 S HN 0.439 nan 8.310 nan 0.000 0.568 197 P HA 0.021 nan 4.420 nan 0.000 0.216 197 P C 1.689 178.861 177.300 -0.214 0.000 1.150 197 P CA 1.657 64.577 63.100 -0.300 0.000 0.837 197 P CB -0.557 30.980 31.700 -0.272 0.000 0.786 198 G N -0.172 108.459 108.800 -0.282 0.000 2.418 198 G HA2 -0.264 3.701 3.960 0.008 0.000 0.217 198 G HA3 -0.264 3.701 3.960 0.008 0.000 0.217 198 G C 1.541 176.363 174.900 -0.128 0.000 1.158 198 G CA 0.562 45.572 45.100 -0.151 0.000 0.771 198 G HN 0.303 nan 8.290 nan 0.000 0.545 199 Q N -0.556 119.150 119.800 -0.155 0.000 2.119 199 Q HA 0.034 4.379 4.340 0.008 0.000 0.201 199 Q C 2.596 178.407 176.000 -0.315 0.000 0.972 199 Q CA 0.806 56.523 55.803 -0.144 0.000 0.847 199 Q CB -0.103 28.637 28.738 0.005 0.000 0.903 199 Q HN 0.430 nan 8.270 nan 0.000 0.433 200 R N 0.443 120.783 120.500 -0.267 0.000 2.075 200 R HA -0.130 4.214 4.340 0.008 0.000 0.232 200 R C 2.081 178.279 176.300 -0.170 0.000 1.126 200 R CA 1.432 57.359 56.100 -0.287 0.000 0.963 200 R CB -0.033 30.200 30.300 -0.112 0.000 0.858 200 R HN 0.143 nan 8.270 nan 0.000 0.435 201 V N 0.660 120.507 119.914 -0.112 0.000 2.427 201 V HA -0.190 3.934 4.120 0.008 0.000 0.248 201 V C 2.276 178.301 176.094 -0.115 0.000 1.051 201 V CA 2.089 64.340 62.300 -0.083 0.000 1.048 201 V CB -0.766 31.049 31.823 -0.014 0.000 0.666 201 V HN 0.436 nan 8.190 nan 0.000 0.456 202 E N 0.118 120.254 120.200 -0.107 0.000 2.058 202 E HA -0.271 4.084 4.350 0.008 0.000 0.194 202 E C 2.055 178.579 176.600 -0.127 0.000 0.997 202 E CA 1.722 58.059 56.400 -0.106 0.000 0.801 202 E CB -0.230 29.426 29.700 -0.075 0.000 0.746 202 E HN 0.564 nan 8.360 nan 0.000 0.450 203 F N 1.052 120.816 119.950 -0.310 0.000 2.126 203 F HA -0.176 4.356 4.527 0.008 0.000 0.299 203 F C 1.912 177.588 175.800 -0.207 0.000 1.096 203 F CA 1.378 59.190 58.000 -0.315 0.000 1.255 203 F CB -0.135 38.511 39.000 -0.590 0.000 0.997 203 F HN 0.010 nan 8.300 nan 0.000 0.479 204 L N -0.918 120.213 121.223 -0.153 0.000 2.027 204 L HA -0.195 4.149 4.340 0.008 0.000 0.206 204 L C 2.334 179.081 176.870 -0.205 0.000 1.074 204 L CA 0.952 55.686 54.840 -0.176 0.000 0.745 204 L CB -0.749 41.247 42.059 -0.106 0.000 0.898 204 L HN -0.010 nan 8.230 nan 0.000 0.433 205 V N -0.117 119.651 119.914 -0.243 0.000 2.379 205 V HA -0.217 3.907 4.120 0.008 0.000 0.245 205 V C 2.174 178.155 176.094 -0.188 0.000 1.044 205 V CA 1.610 63.738 62.300 -0.286 0.000 1.036 205 V CB -0.650 30.851 31.823 -0.537 0.000 0.664 205 V HN 0.453 nan 8.190 nan 0.000 0.453 206 N N 0.247 118.821 118.700 -0.211 0.000 2.120 206 N HA -0.135 4.609 4.740 0.008 0.000 0.188 206 N C 1.919 177.305 175.510 -0.206 0.000 1.024 206 N CA 1.948 54.888 53.050 -0.183 0.000 0.852 206 N CB -0.670 37.712 38.487 -0.175 0.000 1.003 206 N HN 0.446 nan 8.380 nan 0.000 0.424 207 T N 0.457 114.816 114.554 -0.325 0.000 2.708 207 T HA -0.147 4.208 4.350 0.008 0.000 0.266 207 T C 1.505 176.124 174.700 -0.135 0.000 1.037 207 T CA 0.699 62.607 62.100 -0.320 0.000 1.146 207 T CB -0.265 68.291 68.868 -0.521 0.000 0.865 207 T HN 0.427 nan 8.240 nan 0.000 0.435 208 W N 2.339 123.487 121.300 -0.254 0.000 2.335 208 W HA -0.106 4.559 4.660 0.008 0.000 0.311 208 W C 1.807 178.240 176.519 -0.143 0.000 1.213 208 W CA 1.210 58.447 57.345 -0.180 0.000 1.274 208 W CB -0.169 29.181 29.460 -0.182 0.000 1.148 208 W HN 0.237 nan 8.180 nan 0.000 0.498 209 K N 0.263 120.663 120.400 0.001 0.000 2.283 209 K HA -0.119 4.206 4.320 0.008 0.000 0.202 209 K C 2.072 178.604 176.600 -0.113 0.000 1.048 209 K CA 1.502 57.755 56.287 -0.057 0.000 0.948 209 K CB -0.264 32.220 32.500 -0.028 0.000 0.742 209 K HN 0.092 nan 8.250 nan 0.000 0.458 210 S N 0.528 116.148 115.700 -0.133 0.000 2.522 210 S HA 0.014 4.488 4.470 0.008 0.000 0.227 210 S C 0.532 175.046 174.600 -0.144 0.000 0.986 210 S CA 0.226 58.352 58.200 -0.124 0.000 0.929 210 S CB 0.069 63.196 63.200 -0.123 0.000 0.769 210 S HN -0.034 nan 8.310 nan 0.000 0.529 211 K N 1.747 122.021 120.400 -0.211 0.000 2.143 211 K HA 0.389 4.714 4.320 0.008 0.000 0.272 211 K C 0.434 176.908 176.600 -0.210 0.000 1.001 211 K CA -0.380 55.770 56.287 -0.227 0.000 0.915 211 K CB 1.276 33.582 32.500 -0.324 0.000 1.047 211 K HN 0.104 nan 8.250 nan 0.000 0.458 212 K N 1.040 121.349 120.400 -0.151 0.000 2.025 212 K HA -0.045 4.280 4.320 0.008 0.000 0.207 212 K C 0.201 176.719 176.600 -0.137 0.000 1.049 212 K CA 1.177 57.393 56.287 -0.119 0.000 0.933 212 K CB 0.173 32.623 32.500 -0.083 0.000 0.714 212 K HN 0.442 nan 8.250 nan 0.000 0.438 213 N N 1.102 119.709 118.700 -0.155 0.000 2.762 213 N HA 0.190 4.935 4.740 0.008 0.000 0.252 213 N C -2.876 172.504 175.510 -0.216 0.000 1.269 213 N CA -1.051 51.908 53.050 -0.151 0.000 0.799 213 N CB 1.675 40.111 38.487 -0.085 0.000 1.173 213 N HN 0.034 nan 8.380 nan 0.000 0.516 214 P HA 0.161 nan 4.420 nan 0.000 0.271 214 P C -0.264 176.752 177.300 -0.473 0.000 1.218 214 P CA -0.282 62.383 63.100 -0.725 0.000 0.780 214 P CB 1.327 31.996 31.700 -1.718 0.000 0.901 215 M N 1.693 121.112 119.600 -0.301 0.000 2.484 215 M HA 0.660 5.144 4.480 0.008 0.000 0.289 215 M C -1.341 174.974 176.300 0.025 0.000 1.206 215 M CA -0.347 54.903 55.300 -0.083 0.000 0.892 215 M CB 2.490 35.096 32.600 0.010 0.000 1.712 215 M HN 0.585 nan 8.290 nan 0.000 0.462 216 G N 3.357 112.255 108.800 0.164 0.000 2.660 216 G HA2 0.821 4.786 3.960 0.008 0.000 0.294 216 G HA3 0.821 4.786 3.960 0.008 0.000 0.294 216 G C -2.070 172.927 174.900 0.162 0.000 1.369 216 G CA -0.618 44.583 45.100 0.168 0.000 0.912 216 G HN 0.830 nan 8.290 nan 0.000 0.479 217 F N -0.320 119.600 119.950 -0.050 0.000 2.641 217 F HA 0.775 5.306 4.527 0.007 0.000 0.308 217 F C -0.193 175.590 175.800 -0.028 0.000 1.105 217 F CA -1.456 56.507 58.000 -0.061 0.000 0.964 217 F CB 1.334 40.279 39.000 -0.093 0.000 1.294 217 F HN 0.612 nan 8.300 nan 0.000 0.442 218 S N 1.397 117.164 115.700 0.112 0.000 2.585 218 S HA 0.573 5.048 4.470 0.008 0.000 0.277 218 S C -1.426 173.357 174.600 0.306 0.000 1.241 218 S CA -0.558 57.697 58.200 0.092 0.000 1.041 218 S CB 1.484 64.721 63.200 0.062 0.000 0.987 218 S HN 0.810 nan 8.310 nan 0.000 0.512 219 Y N 1.358 121.762 120.300 0.174 0.000 2.328 219 Y HA 0.414 4.969 4.550 0.008 0.000 0.333 219 Y C -0.806 175.217 175.900 0.206 0.000 0.958 219 Y CA -0.921 57.347 58.100 0.279 0.000 1.167 219 Y CB 1.311 40.033 38.460 0.436 0.000 1.151 219 Y HN 0.831 nan 8.280 nan 0.000 0.470 220 D N 4.499 124.757 120.400 -0.237 0.000 2.428 220 D HA 0.185 4.829 4.640 0.008 0.000 0.221 220 D C -0.660 175.479 176.300 -0.268 0.000 1.123 220 D CA -0.045 53.867 54.000 -0.148 0.000 0.869 220 D CB 0.734 41.475 40.800 -0.099 0.000 1.032 220 D HN 0.475 nan 8.370 nan 0.000 0.506 221 T N 3.784 118.358 114.554 0.033 0.000 2.870 221 T HA 0.092 4.446 4.350 0.008 0.000 0.300 221 T C 0.552 175.337 174.700 0.141 0.000 0.989 221 T CA -0.363 61.848 62.100 0.186 0.000 1.139 221 T CB 0.616 69.804 68.868 0.534 0.000 0.920 221 T HN 0.283 nan 8.240 nan 0.000 0.537 222 R N 2.403 122.948 120.500 0.074 0.000 2.343 222 R HA 0.141 4.485 4.340 0.008 0.000 0.326 222 R C 0.241 176.639 176.300 0.162 0.000 1.055 222 R CA -0.169 55.968 56.100 0.062 0.000 0.961 222 R CB -0.660 29.617 30.300 -0.038 0.000 0.978 222 R HN 0.947 nan 8.270 nan 0.000 0.443 223 C N 6.381 125.810 119.300 0.215 0.000 3.690 223 C HA -0.184 4.280 4.460 0.008 0.000 0.295 223 C C 1.250 176.454 174.990 0.357 0.000 1.283 223 C CA 0.091 59.289 59.018 0.301 0.000 2.212 223 C CB -2.357 25.611 27.740 0.381 0.000 1.407 223 C HN 1.070 nan 8.230 nan 0.000 0.595 224 F N 1.908 121.979 119.950 0.202 0.000 2.063 224 F HA -0.130 4.401 4.527 0.007 0.000 0.298 224 F C 1.826 177.740 175.800 0.189 0.000 1.109 224 F CA 2.623 60.741 58.000 0.197 0.000 1.212 224 F CB -0.115 38.989 39.000 0.173 0.000 0.973 224 F HN 0.583 nan 8.300 nan 0.000 0.480 225 D N -0.450 120.217 120.400 0.444 0.000 2.133 225 D HA -0.171 4.473 4.640 0.008 0.000 0.195 225 D C 2.433 178.824 176.300 0.152 0.000 0.997 225 D CA 1.742 55.928 54.000 0.311 0.000 0.840 225 D CB -0.538 40.432 40.800 0.284 0.000 0.947 225 D HN 0.248 nan 8.370 nan 0.000 0.452 226 S N -0.632 115.166 115.700 0.163 0.000 2.453 226 S HA -0.091 4.384 4.470 0.008 0.000 0.231 226 S C 2.006 176.585 174.600 -0.035 0.000 1.005 226 S CA 1.291 59.493 58.200 0.004 0.000 0.949 226 S CB -0.183 63.008 63.200 -0.014 0.000 0.774 226 S HN 0.525 nan 8.310 nan 0.000 0.510 227 T N -0.433 114.176 114.554 0.091 0.000 3.067 227 T HA 0.122 4.476 4.350 0.008 0.000 0.261 227 T C 0.651 175.295 174.700 -0.093 0.000 1.110 227 T CA 0.040 62.176 62.100 0.061 0.000 1.113 227 T CB -0.442 68.408 68.868 -0.030 0.000 0.917 227 T HN 0.047 nan 8.240 nan 0.000 0.499 228 V N 4.088 123.922 119.914 -0.134 0.000 2.485 228 V HA 0.308 4.432 4.120 0.008 0.000 0.287 228 V C 1.136 177.194 176.094 -0.060 0.000 1.022 228 V CA -0.166 62.076 62.300 -0.097 0.000 1.067 228 V CB -0.081 31.733 31.823 -0.016 0.000 0.967 228 V HN 0.723 nan 8.190 nan 0.000 0.479 229 T N 0.761 115.285 114.554 -0.050 0.000 2.897 229 T HA 0.326 4.681 4.350 0.008 0.000 0.278 229 T C 1.037 175.725 174.700 -0.019 0.000 0.981 229 T CA -0.311 61.763 62.100 -0.043 0.000 0.973 229 T CB 1.554 70.386 68.868 -0.060 0.000 1.092 229 T HN 0.675 nan 8.240 nan 0.000 0.543 230 E N 0.457 120.652 120.200 -0.009 0.000 2.085 230 E HA -0.282 4.072 4.350 0.008 0.000 0.194 230 E C 1.935 178.538 176.600 0.005 0.000 0.994 230 E CA 1.699 58.105 56.400 0.011 0.000 0.801 230 E CB -0.253 29.462 29.700 0.026 0.000 0.743 230 E HN 0.776 nan 8.360 nan 0.000 0.453 231 N N 0.605 119.297 118.700 -0.014 0.000 2.061 231 N HA -0.209 4.535 4.740 0.008 0.000 0.193 231 N C 1.468 176.983 175.510 0.008 0.000 1.030 231 N CA 2.157 55.200 53.050 -0.012 0.000 0.856 231 N CB -0.106 38.355 38.487 -0.044 0.000 1.023 231 N HN 0.148 nan 8.380 nan 0.000 0.424 232 D N -0.050 120.354 120.400 0.006 0.000 2.117 232 D HA -0.114 4.530 4.640 0.008 0.000 0.197 232 D C 1.954 178.261 176.300 0.013 0.000 0.987 232 D CA 1.023 55.039 54.000 0.027 0.000 0.829 232 D CB -0.211 40.602 40.800 0.022 0.000 0.961 232 D HN 0.482 nan 8.370 nan 0.000 0.460 233 I N 0.567 121.146 120.570 0.016 0.000 2.353 233 I HA -0.137 4.038 4.170 0.008 0.000 0.248 233 I C 2.456 178.576 176.117 0.004 0.000 1.119 233 I CA 0.654 61.968 61.300 0.023 0.000 1.417 233 I CB -0.044 37.996 38.000 0.066 0.000 1.078 233 I HN -0.139 nan 8.210 nan 0.000 0.421 234 R N 0.220 120.724 120.500 0.008 0.000 2.092 234 R HA -0.090 4.254 4.340 0.008 0.000 0.231 234 R C 2.332 178.606 176.300 -0.045 0.000 1.119 234 R CA 1.085 57.182 56.100 -0.005 0.000 0.970 234 R CB -0.485 29.819 30.300 0.007 0.000 0.864 234 R HN 0.212 nan 8.270 nan 0.000 0.440 235 V N 1.526 121.416 119.914 -0.040 0.000 2.343 235 V HA -0.243 3.881 4.120 0.008 0.000 0.247 235 V C 1.954 177.949 176.094 -0.165 0.000 1.051 235 V CA 1.854 64.116 62.300 -0.063 0.000 1.036 235 V CB -0.407 31.414 31.823 -0.004 0.000 0.654 235 V HN 0.344 nan 8.190 nan 0.000 0.451 236 E N -0.358 119.709 120.200 -0.222 0.000 2.058 236 E HA -0.258 4.097 4.350 0.008 0.000 0.194 236 E C 2.364 178.435 176.600 -0.882 0.000 0.997 236 E CA 1.354 57.457 56.400 -0.494 0.000 0.801 236 E CB -0.207 29.245 29.700 -0.413 0.000 0.746 236 E HN 0.556 nan 8.360 nan 0.000 0.450 237 E N 0.619 120.521 120.200 -0.497 0.000 2.085 237 E HA -0.225 4.129 4.350 0.008 0.000 0.194 237 E C 2.187 178.695 176.600 -0.154 0.000 0.994 237 E CA 1.688 57.938 56.400 -0.249 0.000 0.801 237 E CB -0.036 29.669 29.700 0.009 0.000 0.743 237 E HN 0.262 nan 8.360 nan 0.000 0.453 238 S N 0.193 115.811 115.700 -0.137 0.000 2.399 238 S HA -0.126 4.349 4.470 0.008 0.000 0.231 238 S C 2.173 176.723 174.600 -0.083 0.000 1.022 238 S CA 0.998 59.154 58.200 -0.073 0.000 0.983 238 S CB -0.559 62.606 63.200 -0.058 0.000 0.803 238 S HN 0.275 nan 8.310 nan 0.000 0.480 239 I N 0.318 120.788 120.570 -0.168 0.000 2.202 239 I HA -0.152 4.023 4.170 0.008 0.000 0.242 239 I C 2.385 178.501 176.117 -0.001 0.000 1.091 239 I CA 1.392 62.619 61.300 -0.121 0.000 1.368 239 I CB -0.578 37.317 38.000 -0.175 0.000 1.058 239 I HN 0.215 nan 8.210 nan 0.000 0.410 240 Y N 1.048 121.340 120.300 -0.013 0.000 2.151 240 Y HA -0.254 4.300 4.550 0.007 0.000 0.284 240 Y C 2.647 178.549 175.900 0.003 0.000 1.166 240 Y CA 0.807 58.903 58.100 -0.005 0.000 1.163 240 Y CB -1.147 37.322 38.460 0.015 0.000 0.974 240 Y HN 0.276 nan 8.280 nan 0.000 0.511 241 Q N -1.323 118.570 119.800 0.156 0.000 2.436 241 Q HA -0.087 4.257 4.340 0.008 0.000 0.209 241 Q C 2.357 178.390 176.000 0.055 0.000 0.965 241 Q CA 0.756 56.615 55.803 0.094 0.000 0.910 241 Q CB -0.731 28.047 28.738 0.066 0.000 0.980 241 Q HN 0.519 nan 8.270 nan 0.000 0.491 242 C N 0.393 119.719 119.300 0.042 0.000 2.419 242 C HA -0.084 4.381 4.460 0.008 0.000 0.281 242 C C 1.634 176.640 174.990 0.026 0.000 1.336 242 C CA -0.495 58.536 59.018 0.023 0.000 1.770 242 C CB -0.716 27.028 27.740 0.007 0.000 1.929 242 C HN 0.421 nan 8.230 nan 0.000 0.509 243 C N 1.872 121.197 119.300 0.041 0.000 2.727 243 C HA 0.127 4.592 4.460 0.008 0.000 0.401 243 C C 0.518 175.525 174.990 0.028 0.000 1.294 243 C CA -0.257 58.779 59.018 0.031 0.000 2.134 243 C CB -0.300 27.462 27.740 0.036 0.000 2.724 243 C HN 0.510 nan 8.230 nan 0.000 0.677 244 D N 1.754 122.165 120.400 0.020 0.000 2.336 244 D HA 0.470 5.114 4.640 0.008 0.000 0.249 244 D C -0.685 175.631 176.300 0.027 0.000 1.213 244 D CA 0.364 54.376 54.000 0.021 0.000 0.870 244 D CB 0.062 40.870 40.800 0.014 0.000 1.076 244 D HN 0.408 nan 8.370 nan 0.000 0.483 245 L N 2.215 123.458 121.223 0.034 0.000 2.409 245 L HA 0.608 4.953 4.340 0.008 0.000 0.262 245 L C 0.251 177.149 176.870 0.048 0.000 0.992 245 L CA -1.427 53.439 54.840 0.045 0.000 0.817 245 L CB 1.936 44.029 42.059 0.055 0.000 1.350 245 L HN 0.377 nan 8.230 nan 0.000 0.411 246 A N 2.560 125.415 122.820 0.058 0.000 2.520 246 A HA 0.283 4.608 4.320 0.008 0.000 0.235 246 A C -1.804 175.823 177.584 0.071 0.000 1.065 246 A CA -0.641 51.435 52.037 0.065 0.000 0.764 246 A CB -0.198 18.850 19.000 0.080 0.000 1.002 246 A HN 0.638 nan 8.150 nan 0.000 0.502 247 P HA -0.170 nan 4.420 nan 0.000 0.216 247 P C 1.208 178.543 177.300 0.058 0.000 1.153 247 P CA 1.597 64.727 63.100 0.050 0.000 0.858 247 P CB 0.159 31.883 31.700 0.040 0.000 0.789 248 E N -0.660 119.599 120.200 0.097 0.000 2.085 248 E HA -0.193 4.161 4.350 0.008 0.000 0.194 248 E C 2.071 178.757 176.600 0.144 0.000 0.994 248 E CA 1.222 57.702 56.400 0.133 0.000 0.801 248 E CB -0.507 29.376 29.700 0.304 0.000 0.743 248 E HN 0.121 nan 8.360 nan 0.000 0.453 249 A N 1.404 124.341 122.820 0.196 0.000 1.908 249 A HA -0.220 4.104 4.320 0.008 0.000 0.218 249 A C 2.045 179.685 177.584 0.094 0.000 1.181 249 A CA 1.333 53.484 52.037 0.190 0.000 0.627 249 A CB -0.406 18.690 19.000 0.161 0.000 0.818 249 A HN 0.115 nan 8.150 nan 0.000 0.445 250 R N -1.256 119.283 120.500 0.066 0.000 2.073 250 R HA -0.168 4.177 4.340 0.008 0.000 0.234 250 R C 2.502 178.809 176.300 0.012 0.000 1.134 250 R CA 1.667 57.794 56.100 0.046 0.000 0.952 250 R CB -0.318 30.005 30.300 0.038 0.000 0.850 250 R HN 0.640 nan 8.270 nan 0.000 0.433 251 Q N 0.786 120.571 119.800 -0.024 0.000 2.046 251 Q HA -0.067 4.278 4.340 0.008 0.000 0.200 251 Q C 1.927 177.843 176.000 -0.140 0.000 0.975 251 Q CA 2.011 57.768 55.803 -0.077 0.000 0.836 251 Q CB -0.251 28.428 28.738 -0.099 0.000 0.896 251 Q HN 0.324 nan 8.270 nan 0.000 0.428 252 A N 0.053 122.745 122.820 -0.213 0.000 1.933 252 A HA -0.127 4.197 4.320 0.008 0.000 0.218 252 A C 2.125 179.636 177.584 -0.122 0.000 1.175 252 A CA 1.469 53.310 52.037 -0.327 0.000 0.628 252 A CB -0.692 17.962 19.000 -0.576 0.000 0.814 252 A HN 0.480 nan 8.150 nan 0.000 0.444 253 I N -0.657 119.910 120.570 -0.005 0.000 2.252 253 I HA -0.227 3.947 4.170 0.008 0.000 0.245 253 I C 2.530 178.705 176.117 0.095 0.000 1.102 253 I CA 1.705 63.063 61.300 0.096 0.000 1.385 253 I CB -0.219 37.865 38.000 0.141 0.000 1.064 253 I HN 0.364 nan 8.210 nan 0.000 0.414 254 K N 0.479 120.906 120.400 0.045 0.000 2.097 254 K HA -0.212 4.112 4.320 0.008 0.000 0.206 254 K C 2.332 178.924 176.600 -0.013 0.000 1.049 254 K CA 1.821 58.126 56.287 0.030 0.000 0.933 254 K CB -0.067 32.438 32.500 0.007 0.000 0.717 254 K HN 0.143 nan 8.250 nan 0.000 0.442 255 S N 0.609 116.269 115.700 -0.066 0.000 2.357 255 S HA -0.037 4.438 4.470 0.008 0.000 0.221 255 S C 1.977 176.493 174.600 -0.140 0.000 1.031 255 S CA 0.738 58.875 58.200 -0.105 0.000 0.982 255 S CB -0.206 62.902 63.200 -0.153 0.000 0.853 255 S HN 0.346 nan 8.310 nan 0.000 0.458 256 L N 0.932 122.048 121.223 -0.179 0.000 2.042 256 L HA -0.135 4.210 4.340 0.008 0.000 0.210 256 L C 2.765 179.367 176.870 -0.448 0.000 1.076 256 L CA 1.654 56.269 54.840 -0.374 0.000 0.749 256 L CB -1.033 40.795 42.059 -0.385 0.000 0.893 256 L HN 0.353 nan 8.230 nan 0.000 0.432 257 T N -1.014 113.485 114.554 -0.092 0.000 2.643 257 T HA -0.163 4.192 4.350 0.008 0.000 0.264 257 T C 1.791 176.506 174.700 0.025 0.000 1.045 257 T CA 1.265 63.430 62.100 0.107 0.000 1.155 257 T CB -0.128 68.860 68.868 0.199 0.000 0.863 257 T HN 0.304 nan 8.240 nan 0.000 0.420 258 E N 1.096 121.293 120.200 -0.005 0.000 2.077 258 E HA -0.080 4.274 4.350 0.008 0.000 0.193 258 E C 2.401 178.986 176.600 -0.024 0.000 0.989 258 E CA 1.113 57.510 56.400 -0.006 0.000 0.800 258 E CB -0.168 29.523 29.700 -0.014 0.000 0.746 258 E HN 0.468 nan 8.360 nan 0.000 0.452 259 R N -0.584 119.873 120.500 -0.071 0.000 2.156 259 R HA 0.072 4.417 4.340 0.008 0.000 0.207 259 R C 2.005 178.244 176.300 -0.102 0.000 1.040 259 R CA 0.364 56.419 56.100 -0.075 0.000 1.013 259 R CB 0.126 30.371 30.300 -0.090 0.000 0.931 259 R HN 0.049 nan 8.270 nan 0.000 0.465 260 L N -1.720 119.395 121.223 -0.180 0.000 2.614 260 L HA 0.177 4.521 4.340 0.008 0.000 0.185 260 L C 1.442 178.270 176.870 -0.069 0.000 1.098 260 L CA 1.079 55.800 54.840 -0.198 0.000 0.852 260 L CB -0.426 41.407 42.059 -0.376 0.000 1.213 260 L HN -0.093 nan 8.230 nan 0.000 0.491 261 Y N 1.183 121.502 120.300 0.031 0.000 2.242 261 Y HA -0.073 4.481 4.550 0.007 0.000 0.291 261 Y C 2.525 178.437 175.900 0.020 0.000 1.137 261 Y CA 1.541 59.668 58.100 0.045 0.000 1.181 261 Y CB -1.107 37.404 38.460 0.086 0.000 0.989 261 Y HN 0.358 nan 8.280 nan 0.000 0.527 262 I N -2.622 118.037 120.570 0.148 0.000 2.546 262 I HA 0.299 4.473 4.170 0.008 0.000 0.255 262 I C 1.105 177.236 176.117 0.023 0.000 1.163 262 I CA 1.168 62.514 61.300 0.077 0.000 1.457 262 I CB -0.372 37.666 38.000 0.062 0.000 1.092 262 I HN 0.115 nan 8.210 nan 0.000 0.434 263 G N -0.564 108.228 108.800 -0.012 0.000 2.320 263 G HA2 0.491 4.456 3.960 0.008 0.000 0.297 263 G HA3 0.491 4.456 3.960 0.008 0.000 0.297 263 G C -0.910 173.845 174.900 -0.241 0.000 1.344 263 G CA -0.264 44.761 45.100 -0.125 0.000 0.851 263 G HN 0.731 nan 8.290 nan 0.000 0.567 264 G N -0.928 107.470 108.800 -0.671 0.000 2.321 264 G HA2 0.707 4.671 3.960 0.008 0.000 0.298 264 G HA3 0.707 4.671 3.960 0.008 0.000 0.298 264 G C -3.495 170.778 174.900 -1.045 0.000 1.385 264 G CA 0.023 44.670 45.100 -0.756 0.000 0.856 264 G HN 0.745 nan 8.290 nan 0.000 0.584 265 P HA 0.500 nan 4.420 nan 0.000 0.274 265 P C -0.545 176.663 177.300 -0.153 0.000 1.231 265 P CA -0.235 62.740 63.100 -0.208 0.000 0.790 265 P CB 1.111 32.833 31.700 0.037 0.000 0.951 266 L N 1.796 122.980 121.223 -0.064 0.000 2.313 266 L HA 0.471 4.816 4.340 0.008 0.000 0.283 266 L C 0.416 177.295 176.870 0.015 0.000 1.013 266 L CA -0.226 54.604 54.840 -0.017 0.000 0.816 266 L CB 1.733 43.831 42.059 0.065 0.000 1.236 266 L HN 0.259 nan 8.230 nan 0.000 0.419 267 T N 1.405 115.943 114.554 -0.025 0.000 2.829 267 T HA 0.344 4.699 4.350 0.008 0.000 0.280 267 T C -0.178 174.503 174.700 -0.030 0.000 0.999 267 T CA -0.810 61.277 62.100 -0.022 0.000 0.983 267 T CB 1.533 70.372 68.868 -0.049 0.000 0.968 267 T HN 0.656 nan 8.240 nan 0.000 0.446 268 N N 0.583 119.280 118.700 -0.005 0.000 2.366 268 N HA 0.116 4.860 4.740 0.008 0.000 0.277 268 N C 1.402 176.900 175.510 -0.021 0.000 1.275 268 N CA -0.309 52.737 53.050 -0.006 0.000 0.964 268 N CB 0.028 38.521 38.487 0.010 0.000 1.167 268 N HN 0.464 nan 8.380 nan 0.000 0.568 269 S N -1.445 114.252 115.700 -0.005 0.000 2.474 269 S HA -0.065 4.409 4.470 0.008 0.000 0.235 269 S C 0.932 175.526 174.600 -0.011 0.000 0.997 269 S CA 0.574 58.773 58.200 -0.001 0.000 0.949 269 S CB -0.438 62.777 63.200 0.024 0.000 0.766 269 S HN 0.624 nan 8.310 nan 0.000 0.517 270 K N 0.628 121.021 120.400 -0.011 0.000 2.404 270 K HA 0.296 4.620 4.320 0.008 0.000 0.194 270 K C 1.190 177.778 176.600 -0.021 0.000 1.023 270 K CA 0.364 56.643 56.287 -0.013 0.000 1.094 270 K CB -0.006 32.491 32.500 -0.005 0.000 0.841 270 K HN 0.512 nan 8.250 nan 0.000 0.523 271 G N 1.893 110.677 108.800 -0.027 0.000 2.141 271 G HA2 -0.275 3.689 3.960 0.008 0.000 0.242 271 G HA3 -0.275 3.689 3.960 0.008 0.000 0.242 271 G C -0.315 174.577 174.900 -0.013 0.000 0.982 271 G CA -0.172 44.910 45.100 -0.031 0.000 0.662 271 G HN 0.334 nan 8.290 nan 0.000 0.527 272 Q N 0.078 119.877 119.800 -0.002 0.000 2.230 272 Q HA 0.337 4.682 4.340 0.008 0.000 0.248 272 Q C 0.398 176.414 176.000 0.026 0.000 0.915 272 Q CA -0.625 55.187 55.803 0.013 0.000 0.900 272 Q CB 1.018 29.767 28.738 0.019 0.000 1.229 272 Q HN 0.373 nan 8.270 nan 0.000 0.439 273 N N 1.388 120.110 118.700 0.038 0.000 2.452 273 N HA -0.020 4.725 4.740 0.008 0.000 0.266 273 N C -0.216 175.348 175.510 0.090 0.000 1.175 273 N CA -0.233 52.853 53.050 0.059 0.000 0.945 273 N CB 0.632 39.155 38.487 0.061 0.000 1.063 273 N HN 0.599 nan 8.380 nan 0.000 0.472 274 C N 2.955 122.328 119.300 0.123 0.000 2.674 274 C HA 0.422 4.886 4.460 0.008 0.000 0.276 274 C C 1.127 176.306 174.990 0.316 0.000 1.300 274 C CA 0.840 59.983 59.018 0.208 0.000 1.732 274 C CB -1.094 26.779 27.740 0.221 0.000 2.076 274 C HN 0.974 nan 8.230 nan 0.000 0.548 275 G N -1.318 107.597 108.800 0.193 0.000 2.288 275 G HA2 0.198 4.163 3.960 0.008 0.000 0.227 275 G HA3 0.198 4.163 3.960 0.008 0.000 0.227 275 G C -1.923 173.025 174.900 0.081 0.000 1.339 275 G CA -0.241 44.928 45.100 0.114 0.000 1.057 275 G HN 0.125 nan 8.290 nan 0.000 0.470 276 Y N 0.648 120.832 120.300 -0.192 0.000 2.479 276 Y HA 0.739 5.294 4.550 0.008 0.000 0.338 276 Y C -0.092 175.677 175.900 -0.218 0.000 1.055 276 Y CA -0.784 57.222 58.100 -0.156 0.000 1.023 276 Y CB 1.974 40.354 38.460 -0.134 0.000 1.287 276 Y HN 0.723 nan 8.280 nan 0.000 0.447 277 R N 4.666 124.895 120.500 -0.451 0.000 2.460 277 R HA 0.573 4.917 4.340 0.008 0.000 0.303 277 R C -0.684 175.414 176.300 -0.338 0.000 0.968 277 R CA -0.564 55.271 56.100 -0.442 0.000 0.889 277 R CB 0.956 31.071 30.300 -0.307 0.000 1.123 277 R HN 0.923 nan 8.270 nan 0.000 0.455 278 R N 3.087 123.383 120.500 -0.340 0.000 2.642 278 R HA 0.206 4.551 4.340 0.008 0.000 0.435 278 R C -0.557 175.623 176.300 -0.200 0.000 1.046 278 R CA -0.295 55.706 56.100 -0.165 0.000 1.103 278 R CB 0.470 30.727 30.300 -0.071 0.000 1.425 278 R HN 0.784 nan 8.270 nan 0.000 0.586 279 C N -1.755 117.375 119.300 -0.283 0.000 3.308 279 C HA 0.632 5.097 4.460 0.008 0.000 0.360 279 C C -0.173 174.762 174.990 -0.092 0.000 1.695 279 C CA -1.513 57.385 59.018 -0.200 0.000 1.366 279 C CB 1.198 28.759 27.740 -0.299 0.000 2.121 279 C HN 0.329 nan 8.230 nan 0.000 0.442 280 R N 1.262 121.760 120.500 -0.003 0.000 2.484 280 R HA 0.476 4.821 4.340 0.008 0.000 0.293 280 R C 0.106 176.469 176.300 0.106 0.000 1.023 280 R CA 0.884 57.032 56.100 0.081 0.000 1.037 280 R CB -0.165 30.224 30.300 0.147 0.000 0.951 280 R HN 1.173 nan 8.270 nan 0.000 0.418 281 A N 3.686 126.583 122.820 0.128 0.000 2.409 281 A HA 0.206 4.531 4.320 0.008 0.000 0.262 281 A C 0.939 178.629 177.584 0.178 0.000 1.113 281 A CA 0.154 52.288 52.037 0.161 0.000 0.790 281 A CB 0.299 19.404 19.000 0.175 0.000 1.046 281 A HN 1.011 nan 8.150 nan 0.000 0.496 282 S N 1.938 117.755 115.700 0.195 0.000 2.527 282 S HA 0.132 4.606 4.470 0.008 0.000 0.222 282 S C 1.024 175.727 174.600 0.172 0.000 0.985 282 S CA 0.599 58.908 58.200 0.183 0.000 0.921 282 S CB 0.142 63.457 63.200 0.192 0.000 0.772 282 S HN 1.256 nan 8.310 nan 0.000 0.529 283 G N 1.853 110.777 108.800 0.205 0.000 4.644 283 G HA2 0.527 4.491 3.960 0.008 0.000 0.307 283 G HA3 0.527 4.491 3.960 0.008 0.000 0.307 283 G C -0.152 174.878 174.900 0.217 0.000 1.331 283 G CA -0.152 45.074 45.100 0.210 0.000 1.059 283 G HN 0.534 nan 8.290 nan 0.000 0.590 284 V N -2.421 117.607 119.914 0.190 0.000 3.103 284 V HA 0.593 4.718 4.120 0.008 0.000 0.318 284 V C 1.383 177.563 176.094 0.143 0.000 1.114 284 V CA -0.955 61.475 62.300 0.217 0.000 1.020 284 V CB 1.680 33.703 31.823 0.333 0.000 1.085 284 V HN 0.064 nan 8.190 nan 0.000 0.446 285 L N 2.204 123.521 121.223 0.157 0.000 2.046 285 L HA -0.040 4.304 4.340 0.008 0.000 0.208 285 L C 2.326 179.214 176.870 0.029 0.000 1.077 285 L CA 3.078 57.988 54.840 0.117 0.000 0.747 285 L CB -0.864 41.284 42.059 0.149 0.000 0.896 285 L HN 1.097 nan 8.230 nan 0.000 0.432 286 T N -5.451 109.047 114.554 -0.094 0.000 3.194 286 T HA -0.011 4.343 4.350 0.008 0.000 0.251 286 T C 1.528 176.176 174.700 -0.087 0.000 1.132 286 T CA 0.755 62.750 62.100 -0.176 0.000 1.028 286 T CB -0.819 67.776 68.868 -0.454 0.000 0.976 286 T HN 0.294 nan 8.240 nan 0.000 0.535 287 T N 1.786 116.327 114.554 -0.023 0.000 2.674 287 T HA -0.140 4.215 4.350 0.008 0.000 0.265 287 T C 2.207 176.929 174.700 0.038 0.000 1.039 287 T CA 1.694 63.814 62.100 0.034 0.000 1.150 287 T CB -0.640 68.272 68.868 0.073 0.000 0.864 287 T HN 0.538 nan 8.240 nan 0.000 0.427 288 S N -0.255 115.445 115.700 0.001 0.000 2.348 288 S HA -0.154 4.321 4.470 0.008 0.000 0.221 288 S C 2.439 177.065 174.600 0.042 0.000 1.033 288 S CA 1.436 59.630 58.200 -0.009 0.000 1.010 288 S CB -0.918 62.174 63.200 -0.180 0.000 0.891 288 S HN 0.665 nan 8.310 nan 0.000 0.442 289 C N 1.212 120.510 119.300 -0.003 0.000 2.446 289 C HA 0.133 4.598 4.460 0.008 0.000 0.277 289 C C 2.819 177.859 174.990 0.083 0.000 1.275 289 C CA 0.968 60.000 59.018 0.023 0.000 1.727 289 C CB -1.799 25.920 27.740 -0.036 0.000 2.010 289 C HN 0.715 nan 8.230 nan 0.000 0.486 290 G N 0.667 109.523 108.800 0.093 0.000 2.459 290 G HA2 -0.246 3.719 3.960 0.008 0.000 0.217 290 G HA3 -0.246 3.719 3.960 0.008 0.000 0.217 290 G C 1.504 176.491 174.900 0.144 0.000 1.183 290 G CA 1.190 46.355 45.100 0.109 0.000 0.776 290 G HN 0.578 nan 8.290 nan 0.000 0.552 291 N N 0.312 119.097 118.700 0.141 0.000 2.120 291 N HA -0.078 4.667 4.740 0.008 0.000 0.188 291 N C 2.405 177.951 175.510 0.061 0.000 1.024 291 N CA 1.622 54.751 53.050 0.131 0.000 0.852 291 N CB -0.750 37.700 38.487 -0.062 0.000 1.003 291 N HN 0.261 nan 8.380 nan 0.000 0.424 292 T N 1.637 116.239 114.554 0.080 0.000 2.674 292 T HA -0.005 4.350 4.350 0.008 0.000 0.265 292 T C 2.110 176.889 174.700 0.132 0.000 1.039 292 T CA 0.725 62.890 62.100 0.108 0.000 1.150 292 T CB -0.326 68.669 68.868 0.213 0.000 0.864 292 T HN 0.128 nan 8.240 nan 0.000 0.427 293 L N 0.615 121.899 121.223 0.102 0.000 2.042 293 L HA -0.128 4.217 4.340 0.008 0.000 0.210 293 L C 2.877 179.844 176.870 0.162 0.000 1.076 293 L CA 1.268 56.160 54.840 0.087 0.000 0.749 293 L CB -0.973 41.100 42.059 0.024 0.000 0.893 293 L HN 0.288 nan 8.230 nan 0.000 0.432 294 T N -1.657 113.014 114.554 0.196 0.000 2.896 294 T HA -0.168 4.187 4.350 0.008 0.000 0.263 294 T C 2.004 176.905 174.700 0.336 0.000 1.050 294 T CA 1.123 63.368 62.100 0.243 0.000 1.140 294 T CB -0.330 68.700 68.868 0.270 0.000 0.877 294 T HN 0.438 nan 8.240 nan 0.000 0.457 295 C N 0.804 120.353 119.300 0.415 0.000 2.432 295 C HA -0.095 4.370 4.460 0.008 0.000 0.277 295 C C 2.366 177.516 174.990 0.267 0.000 1.249 295 C CA 0.531 59.781 59.018 0.385 0.000 1.725 295 C CB -1.351 26.497 27.740 0.181 0.000 2.028 295 C HN 0.661 nan 8.230 nan 0.000 0.477 296 Y N 0.837 121.201 120.300 0.106 0.000 2.181 296 Y HA -0.124 4.430 4.550 0.007 0.000 0.288 296 Y C 2.180 178.103 175.900 0.040 0.000 1.146 296 Y CA 2.067 60.206 58.100 0.065 0.000 1.164 296 Y CB -0.541 37.941 38.460 0.037 0.000 0.982 296 Y HN 0.330 nan 8.280 nan 0.000 0.515 297 L N 1.155 122.440 121.223 0.103 0.000 1.970 297 L HA -0.219 4.125 4.340 0.008 0.000 0.212 297 L C 2.167 178.968 176.870 -0.115 0.000 1.071 297 L CA 2.069 56.865 54.840 -0.073 0.000 0.751 297 L CB -0.983 41.024 42.059 -0.088 0.000 0.889 297 L HN 0.163 nan 8.230 nan 0.000 0.432 298 K N -0.553 119.849 120.400 0.003 0.000 2.032 298 K HA -0.146 4.179 4.320 0.008 0.000 0.209 298 K C 2.056 178.693 176.600 0.062 0.000 1.048 298 K CA 1.522 57.834 56.287 0.043 0.000 0.927 298 K CB -0.472 32.127 32.500 0.166 0.000 0.712 298 K HN 0.511 nan 8.250 nan 0.000 0.441 299 A N 1.138 123.980 122.820 0.037 0.000 1.873 299 A HA -0.134 4.191 4.320 0.008 0.000 0.215 299 A C 2.247 179.856 177.584 0.042 0.000 1.186 299 A CA 1.792 53.869 52.037 0.067 0.000 0.616 299 A CB -0.539 18.565 19.000 0.174 0.000 0.823 299 A HN 0.187 nan 8.150 nan 0.000 0.442 300 S N 0.189 115.797 115.700 -0.153 0.000 2.368 300 S HA -0.079 4.396 4.470 0.008 0.000 0.225 300 S C 2.281 176.826 174.600 -0.092 0.000 1.030 300 S CA 1.250 59.326 58.200 -0.207 0.000 0.999 300 S CB -0.503 62.412 63.200 -0.475 0.000 0.844 300 S HN 0.799 nan 8.310 nan 0.000 0.459 301 A N 1.497 124.280 122.820 -0.060 0.000 1.933 301 A HA 0.144 4.469 4.320 0.008 0.000 0.218 301 A C 2.334 179.980 177.584 0.103 0.000 1.175 301 A CA 1.629 53.694 52.037 0.046 0.000 0.628 301 A CB -0.971 18.051 19.000 0.037 0.000 0.814 301 A HN 0.522 nan 8.150 nan 0.000 0.444 302 A N -1.228 121.652 122.820 0.100 0.000 1.968 302 A HA -0.097 4.228 4.320 0.008 0.000 0.217 302 A C 2.231 179.845 177.584 0.050 0.000 1.169 302 A CA 1.463 53.436 52.037 -0.106 0.000 0.638 302 A CB -1.134 17.469 19.000 -0.662 0.000 0.812 302 A HN 0.581 nan 8.150 nan 0.000 0.446 303 C N -0.833 118.582 119.300 0.191 0.000 2.429 303 C HA -0.079 4.386 4.460 0.008 0.000 0.277 303 C C 2.885 177.886 174.990 0.018 0.000 1.262 303 C CA 1.088 60.228 59.018 0.204 0.000 1.733 303 C CB -1.259 26.562 27.740 0.135 0.000 2.010 303 C HN 0.611 nan 8.230 nan 0.000 0.483 304 R N 1.085 121.509 120.500 -0.127 0.000 2.062 304 R HA -0.080 4.265 4.340 0.008 0.000 0.231 304 R C 2.495 178.530 176.300 -0.443 0.000 1.136 304 R CA 1.572 57.468 56.100 -0.340 0.000 0.948 304 R CB -0.672 29.290 30.300 -0.563 0.000 0.845 304 R HN 0.510 nan 8.270 nan 0.000 0.430 305 A N 1.478 124.035 122.820 -0.438 0.000 1.927 305 A HA -0.214 4.111 4.320 0.008 0.000 0.220 305 A C 2.289 179.849 177.584 -0.040 0.000 1.185 305 A CA 2.073 54.026 52.037 -0.141 0.000 0.639 305 A CB -0.714 18.268 19.000 -0.029 0.000 0.820 305 A HN 0.448 nan 8.150 nan 0.000 0.451 306 A N -1.180 121.637 122.820 -0.004 0.000 2.206 306 A HA 0.181 4.506 4.320 0.008 0.000 0.211 306 A C 1.036 178.639 177.584 0.032 0.000 1.158 306 A CA 0.892 52.959 52.037 0.049 0.000 0.761 306 A CB -0.492 18.598 19.000 0.149 0.000 0.801 306 A HN 0.574 nan 8.150 nan 0.000 0.473 307 K N -1.065 119.338 120.400 0.004 0.000 3.012 307 K HA -0.189 4.136 4.320 0.008 0.000 0.259 307 K C -0.844 175.768 176.600 0.020 0.000 0.989 307 K CA 0.272 56.563 56.287 0.007 0.000 0.728 307 K CB -2.015 30.493 32.500 0.014 0.000 1.260 307 K HN 0.322 nan 8.250 nan 0.000 0.480 308 L N 1.780 123.026 121.223 0.038 0.000 2.525 308 L HA -0.063 4.281 4.340 0.008 0.000 0.278 308 L C 1.030 177.912 176.870 0.021 0.000 1.218 308 L CA 1.221 56.087 54.840 0.043 0.000 0.878 308 L CB 0.294 42.398 42.059 0.076 0.000 1.127 308 L HN 0.120 nan 8.230 nan 0.000 0.492 309 Q N 2.442 122.249 119.800 0.012 0.000 2.257 309 Q HA 0.115 4.459 4.340 0.008 0.000 0.255 309 Q C -0.184 175.807 176.000 -0.015 0.000 0.920 309 Q CA -0.521 55.280 55.803 -0.003 0.000 0.927 309 Q CB 0.980 29.713 28.738 -0.008 0.000 1.229 309 Q HN 0.513 nan 8.270 nan 0.000 0.433 310 D N 1.080 121.470 120.400 -0.016 0.000 2.802 310 D HA -0.192 4.453 4.640 0.008 0.000 0.229 310 D C -1.018 175.264 176.300 -0.030 0.000 1.203 310 D CA 0.283 54.268 54.000 -0.025 0.000 0.712 310 D CB -0.761 40.014 40.800 -0.041 0.000 0.973 310 D HN 0.495 nan 8.370 nan 0.000 0.407 311 C N 1.390 120.682 119.300 -0.014 0.000 2.632 311 C HA 0.460 4.925 4.460 0.008 0.000 0.415 311 C C 0.800 175.787 174.990 -0.006 0.000 1.332 311 C CA 0.072 59.081 59.018 -0.015 0.000 1.874 311 C CB 0.234 27.974 27.740 0.000 0.000 2.596 311 C HN 0.498 nan 8.230 nan 0.000 0.590 312 T N 6.403 120.947 114.554 -0.016 0.000 2.840 312 T HA 0.438 4.793 4.350 0.008 0.000 0.287 312 T C -0.402 174.324 174.700 0.043 0.000 0.991 312 T CA -0.279 61.842 62.100 0.035 0.000 0.964 312 T CB 0.942 69.809 68.868 -0.001 0.000 0.954 312 T HN 0.543 nan 8.240 nan 0.000 0.438 313 M N 3.248 122.910 119.600 0.104 0.000 2.423 313 M HA 0.604 5.089 4.480 0.008 0.000 0.335 313 M C -1.084 175.322 176.300 0.176 0.000 1.177 313 M CA -1.081 54.273 55.300 0.090 0.000 1.038 313 M CB 1.730 34.383 32.600 0.087 0.000 1.641 313 M HN 0.334 nan 8.290 nan 0.000 0.455 314 L N 3.396 124.684 121.223 0.108 0.000 2.376 314 L HA 0.669 5.014 4.340 0.008 0.000 0.275 314 L C -1.456 175.393 176.870 -0.035 0.000 0.987 314 L CA -0.492 54.381 54.840 0.055 0.000 0.828 314 L CB 1.808 43.936 42.059 0.115 0.000 1.249 314 L HN 0.490 nan 8.230 nan 0.000 0.409 315 V N 4.385 124.243 119.914 -0.093 0.000 2.483 315 V HA 0.550 4.675 4.120 0.008 0.000 0.297 315 V C -0.806 175.072 176.094 -0.361 0.000 1.027 315 V CA -0.631 61.599 62.300 -0.116 0.000 0.855 315 V CB 1.873 33.725 31.823 0.050 0.000 0.995 315 V HN 0.791 nan 8.190 nan 0.000 0.424 316 N N 3.883 122.306 118.700 -0.461 0.000 2.626 316 N HA 0.626 5.371 4.740 0.008 0.000 0.249 316 N C 0.635 175.943 175.510 -0.336 0.000 1.021 316 N CA 0.521 53.039 53.050 -0.887 0.000 0.886 316 N CB 1.702 39.484 38.487 -1.175 0.000 1.149 316 N HN 1.049 nan 8.380 nan 0.000 0.517 317 G N 2.528 111.297 108.800 -0.053 0.000 2.591 317 G HA2 -0.410 3.554 3.960 0.008 0.000 0.298 317 G HA3 -0.410 3.554 3.960 0.008 0.000 0.298 317 G C 0.510 175.251 174.900 -0.265 0.000 1.195 317 G CA 0.750 45.837 45.100 -0.021 0.000 0.989 317 G HN 0.631 nan 8.290 nan 0.000 0.551 318 D N 1.260 121.407 120.400 -0.422 0.000 2.352 318 D HA 0.133 4.777 4.640 0.008 0.000 0.232 318 D C 0.446 176.637 176.300 -0.183 0.000 1.055 318 D CA 0.987 54.615 54.000 -0.620 0.000 0.891 318 D CB -0.003 40.400 40.800 -0.662 0.000 0.897 318 D HN 0.429 nan 8.370 nan 0.000 0.529 319 D N 0.438 120.766 120.400 -0.120 0.000 2.280 319 D HA 0.318 4.963 4.640 0.008 0.000 0.236 319 D C -1.205 175.071 176.300 -0.040 0.000 1.082 319 D CA -0.708 53.263 54.000 -0.049 0.000 0.834 319 D CB 1.225 41.982 40.800 -0.071 0.000 1.100 319 D HN 0.013 nan 8.370 nan 0.000 0.486 320 L N 4.961 126.209 121.223 0.041 0.000 2.381 320 L HA 0.471 4.815 4.340 0.008 0.000 0.274 320 L C -1.445 175.421 176.870 -0.007 0.000 0.988 320 L CA -0.635 54.235 54.840 0.049 0.000 0.824 320 L CB 1.806 43.971 42.059 0.177 0.000 1.263 320 L HN 0.149 nan 8.230 nan 0.000 0.410 321 V N 4.107 123.973 119.914 -0.080 0.000 2.735 321 V HA 0.763 4.887 4.120 0.008 0.000 0.310 321 V C -0.683 175.253 176.094 -0.264 0.000 1.061 321 V CA -0.857 61.336 62.300 -0.177 0.000 0.913 321 V CB 1.836 33.598 31.823 -0.102 0.000 1.005 321 V HN 0.467 nan 8.190 nan 0.000 0.428 322 V N 4.705 124.289 119.914 -0.549 0.000 2.588 322 V HA 0.577 4.702 4.120 0.008 0.000 0.304 322 V C -0.492 175.368 176.094 -0.391 0.000 1.042 322 V CA -0.352 61.616 62.300 -0.553 0.000 0.877 322 V CB 1.872 33.098 31.823 -0.996 0.000 0.996 322 V HN 0.762 nan 8.190 nan 0.000 0.425 323 I N 4.901 125.370 120.570 -0.169 0.000 2.433 323 I HA 0.741 4.915 4.170 0.008 0.000 0.292 323 I C -0.032 176.030 176.117 -0.091 0.000 1.001 323 I CA -0.328 60.926 61.300 -0.076 0.000 1.119 323 I CB 1.734 39.737 38.000 0.005 0.000 1.289 323 I HN 0.913 nan 8.210 nan 0.000 0.438 324 C N 2.522 121.769 119.300 -0.087 0.000 3.335 324 C HA 0.559 5.024 4.460 0.008 0.000 0.356 324 C C -0.742 174.187 174.990 -0.103 0.000 1.570 324 C CA -0.916 58.059 59.018 -0.071 0.000 1.271 324 C CB 1.818 29.553 27.740 -0.008 0.000 1.873 324 C HN 0.637 nan 8.230 nan 0.000 0.439 325 E N 1.802 121.958 120.200 -0.073 0.000 2.259 325 E HA 0.289 4.644 4.350 0.008 0.000 0.281 325 E C 0.140 176.724 176.600 -0.026 0.000 1.037 325 E CA 0.452 56.808 56.400 -0.073 0.000 0.854 325 E CB 1.638 31.303 29.700 -0.058 0.000 1.051 325 E HN 0.708 nan 8.360 nan 0.000 0.409 326 S N 1.674 117.368 115.700 -0.011 0.000 2.572 326 S HA 0.238 4.713 4.470 0.008 0.000 0.279 326 S C 0.482 175.094 174.600 0.020 0.000 1.341 326 S CA 0.102 58.335 58.200 0.056 0.000 1.043 326 S CB 0.550 63.822 63.200 0.119 0.000 0.887 326 S HN 0.536 nan 8.310 nan 0.000 0.516 327 A N 3.368 126.208 122.820 0.032 0.000 2.574 327 A HA 0.648 4.973 4.320 0.008 0.000 0.283 327 A C 0.916 178.501 177.584 0.001 0.000 1.270 327 A CA 0.243 52.285 52.037 0.009 0.000 0.945 327 A CB -0.960 18.047 19.000 0.011 0.000 1.127 327 A HN 1.916 nan 8.150 nan 0.000 0.522 328 G N -1.041 107.756 108.800 -0.005 0.000 2.707 328 G HA2 -0.033 3.931 3.960 0.008 0.000 0.686 328 G HA3 -0.033 3.931 3.960 0.008 0.000 0.686 328 G C 0.659 175.562 174.900 0.005 0.000 1.315 328 G CA 0.239 45.315 45.100 -0.039 0.000 0.832 328 G HN 1.181 nan 8.290 nan 0.000 0.573 329 T N -2.271 112.265 114.554 -0.029 0.000 2.904 329 T HA -0.095 4.260 4.350 0.008 0.000 0.267 329 T C 2.106 176.840 174.700 0.057 0.000 1.059 329 T CA 2.130 64.262 62.100 0.054 0.000 1.137 329 T CB -0.117 68.757 68.868 0.009 0.000 0.879 329 T HN 0.853 nan 8.240 nan 0.000 0.467 330 Q N 0.691 120.504 119.800 0.021 0.000 2.049 330 Q HA -0.109 4.235 4.340 0.008 0.000 0.198 330 Q C 2.416 178.425 176.000 0.016 0.000 0.971 330 Q CA 1.488 57.300 55.803 0.015 0.000 0.833 330 Q CB -0.143 28.597 28.738 0.004 0.000 0.896 330 Q HN 0.503 nan 8.270 nan 0.000 0.434 331 E N 0.646 120.856 120.200 0.015 0.000 2.106 331 E HA -0.166 4.188 4.350 0.008 0.000 0.192 331 E C 1.386 177.997 176.600 0.019 0.000 0.984 331 E CA 1.569 57.978 56.400 0.014 0.000 0.806 331 E CB -0.036 29.671 29.700 0.011 0.000 0.750 331 E HN 0.427 nan 8.360 nan 0.000 0.458 332 D N -0.340 120.085 120.400 0.043 0.000 2.117 332 D HA -0.108 4.537 4.640 0.008 0.000 0.198 332 D C 1.741 178.033 176.300 -0.014 0.000 0.982 332 D CA 1.428 55.452 54.000 0.039 0.000 0.828 332 D CB -0.411 40.469 40.800 0.133 0.000 0.967 332 D HN 0.276 nan 8.370 nan 0.000 0.464 333 A N 0.992 123.817 122.820 0.008 0.000 1.933 333 A HA -0.044 4.280 4.320 0.008 0.000 0.218 333 A C 2.283 179.851 177.584 -0.027 0.000 1.175 333 A CA 2.155 54.182 52.037 -0.017 0.000 0.628 333 A CB -0.563 18.442 19.000 0.008 0.000 0.814 333 A HN 0.242 nan 8.150 nan 0.000 0.444 334 A N -0.817 121.995 122.820 -0.013 0.000 1.897 334 A HA 0.013 4.337 4.320 0.008 0.000 0.215 334 A C 2.417 179.994 177.584 -0.012 0.000 1.181 334 A CA 1.772 53.803 52.037 -0.010 0.000 0.620 334 A CB -0.852 18.147 19.000 -0.002 0.000 0.821 334 A HN 0.424 nan 8.150 nan 0.000 0.443 335 S N 0.028 115.718 115.700 -0.016 0.000 2.365 335 S HA -0.163 4.312 4.470 0.008 0.000 0.225 335 S C 1.829 176.412 174.600 -0.028 0.000 1.039 335 S CA 1.628 59.820 58.200 -0.013 0.000 1.033 335 S CB -0.475 62.715 63.200 -0.017 0.000 0.887 335 S HN 0.501 nan 8.310 nan 0.000 0.447 336 L N 0.541 121.694 121.223 -0.116 0.000 2.093 336 L HA -0.061 4.284 4.340 0.008 0.000 0.208 336 L C 2.729 179.585 176.870 -0.022 0.000 1.085 336 L CA 1.054 55.775 54.840 -0.199 0.000 0.755 336 L CB -0.315 41.517 42.059 -0.379 0.000 0.904 336 L HN 0.228 nan 8.230 nan 0.000 0.435 337 R N -0.785 119.707 120.500 -0.014 0.000 2.081 337 R HA -0.137 4.208 4.340 0.008 0.000 0.235 337 R C 2.198 178.510 176.300 0.021 0.000 1.131 337 R CA 1.258 57.366 56.100 0.013 0.000 0.960 337 R CB -0.292 30.008 30.300 -0.001 0.000 0.856 337 R HN 0.186 nan 8.270 nan 0.000 0.436 338 V N 0.511 120.436 119.914 0.019 0.000 2.307 338 V HA -0.243 3.882 4.120 0.008 0.000 0.245 338 V C 1.892 177.986 176.094 0.001 0.000 1.045 338 V CA 1.702 64.004 62.300 0.004 0.000 1.024 338 V CB -0.583 31.246 31.823 0.010 0.000 0.651 338 V HN 0.238 nan 8.190 nan 0.000 0.449 339 F N 1.587 121.486 119.950 -0.085 0.000 2.091 339 F HA -0.284 4.248 4.527 0.007 0.000 0.299 339 F C 2.423 178.158 175.800 -0.108 0.000 1.103 339 F CA 2.509 60.454 58.000 -0.092 0.000 1.228 339 F CB -0.553 38.393 39.000 -0.090 0.000 0.984 339 F HN 0.130 nan 8.300 nan 0.000 0.477 340 T N -0.100 114.515 114.554 0.102 0.000 2.777 340 T HA -0.173 4.181 4.350 0.008 0.000 0.266 340 T C 1.680 176.351 174.700 -0.047 0.000 1.040 340 T CA 1.660 63.823 62.100 0.105 0.000 1.141 340 T CB -0.342 68.669 68.868 0.238 0.000 0.868 340 T HN 0.385 nan 8.240 nan 0.000 0.444 341 E N 1.148 121.305 120.200 -0.073 0.000 2.110 341 E HA -0.072 4.282 4.350 0.008 0.000 0.193 341 E C 2.499 178.954 176.600 -0.242 0.000 0.988 341 E CA 1.018 57.347 56.400 -0.118 0.000 0.804 341 E CB -0.207 29.441 29.700 -0.088 0.000 0.745 341 E HN 0.485 nan 8.360 nan 0.000 0.458 342 A N 1.149 123.766 122.820 -0.339 0.000 1.873 342 A HA -0.163 4.162 4.320 0.008 0.000 0.215 342 A C 2.154 179.248 177.584 -0.817 0.000 1.186 342 A CA 1.125 52.811 52.037 -0.586 0.000 0.616 342 A CB -0.287 18.419 19.000 -0.491 0.000 0.823 342 A HN 0.101 nan 8.150 nan 0.000 0.442 343 M N -0.072 119.168 119.600 -0.601 0.000 2.108 343 M HA -0.133 4.352 4.480 0.008 0.000 0.261 343 M C 2.179 178.365 176.300 -0.190 0.000 1.066 343 M CA 2.089 57.159 55.300 -0.383 0.000 1.107 343 M CB -1.958 30.353 32.600 -0.481 0.000 1.356 343 M HN 0.461 nan 8.290 nan 0.000 0.406 344 T N 0.066 114.518 114.554 -0.169 0.000 2.708 344 T HA -0.125 4.229 4.350 0.008 0.000 0.266 344 T C 1.972 176.598 174.700 -0.125 0.000 1.037 344 T CA 1.179 63.225 62.100 -0.089 0.000 1.146 344 T CB -0.210 68.618 68.868 -0.067 0.000 0.865 344 T HN 0.383 nan 8.240 nan 0.000 0.435 345 R N 0.080 120.439 120.500 -0.236 0.000 2.105 345 R HA -0.083 4.261 4.340 0.008 0.000 0.239 345 R C 1.861 178.089 176.300 -0.119 0.000 1.135 345 R CA 1.230 57.197 56.100 -0.221 0.000 0.967 345 R CB -0.349 29.759 30.300 -0.321 0.000 0.861 345 R HN 0.447 nan 8.270 nan 0.000 0.442 346 Y N 0.431 120.658 120.300 -0.121 0.000 2.578 346 Y HA -0.046 4.508 4.550 0.007 0.000 0.297 346 Y C 1.386 177.216 175.900 -0.116 0.000 1.176 346 Y CA 0.307 58.321 58.100 -0.144 0.000 1.315 346 Y CB -0.428 37.968 38.460 -0.107 0.000 1.031 346 Y HN 0.222 nan 8.280 nan 0.000 0.524 347 S N -2.138 113.585 115.700 0.038 0.000 2.541 347 S HA -0.184 4.290 4.470 0.008 0.000 0.262 347 S C 0.374 174.985 174.600 0.017 0.000 1.321 347 S CA 0.424 58.633 58.200 0.017 0.000 1.243 347 S CB -1.919 61.279 63.200 -0.002 0.000 1.531 347 S HN 0.728 nan 8.310 nan 0.000 0.656 348 A N 2.162 125.004 122.820 0.036 0.000 3.158 348 A HA 0.683 5.007 4.320 0.008 0.000 0.319 348 A C -1.830 175.869 177.584 0.193 0.000 1.204 348 A CA -1.178 50.910 52.037 0.085 0.000 0.992 348 A CB 0.352 19.425 19.000 0.122 0.000 1.110 348 A HN 0.547 nan 8.150 nan 0.000 0.519 349 P HA 0.311 nan 4.420 nan 0.000 0.276 349 P C -2.948 174.409 177.300 0.095 0.000 1.244 349 P CA -1.461 61.706 63.100 0.112 0.000 0.801 349 P CB 0.752 32.449 31.700 -0.004 0.000 1.006 350 P HA 0.112 nan 4.420 nan 0.000 0.276 350 P C 0.684 177.917 177.300 -0.112 0.000 1.244 350 P CA 0.041 63.034 63.100 -0.178 0.000 0.801 350 P CB 0.767 32.338 31.700 -0.215 0.000 1.006 351 G N 1.305 110.032 108.800 -0.122 0.000 2.624 351 G HA2 -0.006 3.959 3.960 0.008 0.000 0.216 351 G HA3 -0.006 3.959 3.960 0.008 0.000 0.216 351 G C -0.128 174.729 174.900 -0.072 0.000 1.274 351 G CA 0.197 45.254 45.100 -0.071 0.000 0.856 351 G HN 0.461 nan 8.290 nan 0.000 0.555 352 D N 2.441 122.796 120.400 -0.076 0.000 2.295 352 D HA 0.304 4.949 4.640 0.008 0.000 0.248 352 D C -2.070 174.181 176.300 -0.082 0.000 1.154 352 D CA -0.994 52.970 54.000 -0.060 0.000 0.857 352 D CB 1.543 42.319 40.800 -0.040 0.000 1.117 352 D HN 0.098 nan 8.370 nan 0.000 0.468 353 P HA 0.112 nan 4.420 nan 0.000 0.269 353 P C -2.430 174.861 177.300 -0.015 0.000 1.209 353 P CA -1.006 62.074 63.100 -0.034 0.000 0.776 353 P CB -0.271 31.424 31.700 -0.008 0.000 0.876 354 P HA 0.156 nan 4.420 nan 0.000 0.271 354 P C -0.551 176.733 177.300 -0.026 0.000 1.216 354 P CA 0.167 63.296 63.100 0.048 0.000 0.776 354 P CB 0.867 32.636 31.700 0.116 0.000 0.881 355 Q N 2.659 122.459 119.800 -0.000 0.000 2.330 355 Q HA 0.374 4.719 4.340 0.008 0.000 0.269 355 Q C -2.306 173.676 176.000 -0.029 0.000 1.022 355 Q CA -2.072 53.719 55.803 -0.020 0.000 0.796 355 Q CB 2.317 31.058 28.738 0.005 0.000 1.271 355 Q HN 0.377 nan 8.270 nan 0.000 0.450 356 P HA 0.093 nan 4.420 nan 0.000 0.276 356 P C -0.901 176.220 177.300 -0.298 0.000 1.230 356 P CA -0.041 62.955 63.100 -0.174 0.000 0.776 356 P CB 1.060 32.644 31.700 -0.194 0.000 0.888 357 E N 2.138 122.128 120.200 -0.349 0.000 2.238 357 E HA 0.227 4.581 4.350 0.008 0.000 0.267 357 E C -0.541 175.835 176.600 -0.373 0.000 0.887 357 E CA -0.462 55.765 56.400 -0.289 0.000 0.769 357 E CB 1.471 31.129 29.700 -0.069 0.000 1.187 357 E HN 0.444 nan 8.360 nan 0.000 0.416 358 Y N -0.379 120.063 120.300 0.237 0.000 2.500 358 Y HA 0.173 4.728 4.550 0.008 0.000 0.246 358 Y C 0.276 176.407 175.900 0.385 0.000 1.146 358 Y CA -0.467 57.831 58.100 0.329 0.000 1.230 358 Y CB 0.935 39.495 38.460 0.167 0.000 1.214 358 Y HN 0.271 nan 8.280 nan 0.000 0.526 359 D N 0.454 121.005 120.400 0.251 0.000 2.425 359 D HA 0.127 4.772 4.640 0.008 0.000 0.240 359 D C 0.778 176.874 176.300 -0.339 0.000 1.080 359 D CA -0.339 53.680 54.000 0.032 0.000 0.836 359 D CB 1.648 42.471 40.800 0.039 0.000 1.125 359 D HN 0.071 nan 8.370 nan 0.000 0.525 360 L N 4.124 124.819 121.223 -0.881 0.000 2.129 360 L HA -0.113 4.232 4.340 0.008 0.000 0.212 360 L C 1.523 178.082 176.870 -0.518 0.000 1.087 360 L CA 1.936 56.104 54.840 -1.121 0.000 0.757 360 L CB -0.267 40.906 42.059 -1.476 0.000 0.896 360 L HN 0.537 nan 8.230 nan 0.000 0.434 361 E N -1.143 118.856 120.200 -0.334 0.000 2.427 361 E HA -0.083 4.272 4.350 0.008 0.000 0.196 361 E C 1.929 178.442 176.600 -0.144 0.000 1.028 361 E CA 0.454 56.734 56.400 -0.199 0.000 0.864 361 E CB -0.037 29.587 29.700 -0.127 0.000 0.813 361 E HN 0.526 nan 8.360 nan 0.000 0.514 362 L N 0.702 121.839 121.223 -0.143 0.000 2.567 362 L HA 0.191 4.536 4.340 0.008 0.000 0.225 362 L C 0.700 177.520 176.870 -0.082 0.000 1.119 362 L CA -0.058 54.731 54.840 -0.085 0.000 0.871 362 L CB 0.199 42.230 42.059 -0.048 0.000 1.036 362 L HN 0.042 nan 8.230 nan 0.000 0.459 363 I N 0.248 120.742 120.570 -0.126 0.000 2.371 363 I HA 0.076 4.251 4.170 0.008 0.000 0.290 363 I C 0.097 176.172 176.117 -0.071 0.000 1.028 363 I CA 0.217 61.461 61.300 -0.094 0.000 1.345 363 I CB 1.279 39.202 38.000 -0.128 0.000 1.407 363 I HN -0.094 nan 8.210 nan 0.000 0.501 364 T N 5.175 119.709 114.554 -0.033 0.000 2.749 364 T HA 0.471 4.825 4.350 0.008 0.000 0.287 364 T C -0.264 174.435 174.700 -0.002 0.000 0.970 364 T CA -0.620 61.474 62.100 -0.011 0.000 0.980 364 T CB 0.881 69.751 68.868 0.003 0.000 0.924 364 T HN 0.726 nan 8.240 nan 0.000 0.456 365 S N 0.844 116.546 115.700 0.002 0.000 2.546 365 S HA 0.416 4.890 4.470 0.008 0.000 0.272 365 S C 0.034 174.644 174.600 0.016 0.000 1.140 365 S CA -0.842 57.358 58.200 -0.001 0.000 0.920 365 S CB 0.575 63.759 63.200 -0.027 0.000 1.083 365 S HN 0.894 nan 8.310 nan 0.000 0.476 366 C N 2.299 121.608 119.300 0.016 0.000 4.235 366 C HA -0.172 4.293 4.460 0.008 0.000 0.301 366 C C 1.344 176.402 174.990 0.115 0.000 1.409 366 C CA 0.745 59.792 59.018 0.048 0.000 2.024 366 C CB -3.260 24.494 27.740 0.023 0.000 1.286 366 C HN 1.775 nan 8.230 nan 0.000 0.746 367 S N -1.792 113.968 115.700 0.100 0.000 3.445 367 S HA -0.204 4.270 4.470 0.008 0.000 0.319 367 S C 0.193 174.878 174.600 0.141 0.000 1.209 367 S CA 1.263 59.532 58.200 0.116 0.000 0.934 367 S CB -0.986 62.300 63.200 0.144 0.000 0.999 367 S HN 1.084 nan 8.310 nan 0.000 0.582 368 S N 1.897 117.679 115.700 0.136 0.000 2.569 368 S HA 0.692 5.167 4.470 0.008 0.000 0.280 368 S C -0.432 174.211 174.600 0.072 0.000 1.111 368 S CA -1.039 57.265 58.200 0.174 0.000 0.887 368 S CB 1.690 65.055 63.200 0.275 0.000 1.095 368 S HN 0.556 nan 8.310 nan 0.000 0.476 369 N N -0.136 118.591 118.700 0.045 0.000 2.265 369 N HA 0.474 5.219 4.740 0.008 0.000 0.300 369 N C -1.091 174.366 175.510 -0.088 0.000 1.148 369 N CA -0.629 52.397 53.050 -0.038 0.000 0.772 369 N CB 1.140 39.592 38.487 -0.058 0.000 1.434 369 N HN 0.310 nan 8.380 nan 0.000 0.481 370 V N 0.720 120.549 119.914 -0.142 0.000 2.585 370 V HA 0.208 4.332 4.120 0.008 0.000 0.296 370 V C 0.609 176.567 176.094 -0.226 0.000 1.035 370 V CA 0.278 62.468 62.300 -0.182 0.000 1.084 370 V CB 0.667 32.376 31.823 -0.190 0.000 0.953 370 V HN 0.838 nan 8.190 nan 0.000 0.483 371 S N 2.995 118.457 115.700 -0.396 0.000 2.732 371 S HA 0.776 5.250 4.470 0.008 0.000 0.293 371 S C -1.189 173.216 174.600 -0.324 0.000 1.159 371 S CA -0.487 57.495 58.200 -0.364 0.000 0.847 371 S CB 2.092 65.056 63.200 -0.393 0.000 1.169 371 S HN 0.619 nan 8.310 nan 0.000 0.501 372 V N 1.341 121.170 119.914 -0.142 0.000 2.656 372 V HA 0.957 5.081 4.120 0.008 0.000 0.307 372 V C -0.201 175.815 176.094 -0.129 0.000 1.051 372 V CA 0.218 62.391 62.300 -0.212 0.000 0.893 372 V CB 1.009 32.602 31.823 -0.384 0.000 0.999 372 V HN 1.185 nan 8.190 nan 0.000 0.426 373 A N 5.214 127.843 122.820 -0.318 0.000 2.507 373 A HA 0.881 5.206 4.320 0.008 0.000 0.284 373 A C -1.175 175.901 177.584 -0.847 0.000 1.281 373 A CA -0.611 51.075 52.037 -0.583 0.000 0.744 373 A CB 1.714 20.185 19.000 -0.883 0.000 1.332 373 A HN 0.911 nan 8.150 nan 0.000 0.454 374 H N 0.388 119.102 119.070 -0.593 0.000 2.637 374 H HA 0.378 4.938 4.556 0.008 0.000 0.363 374 H C -1.092 173.899 175.328 -0.562 0.000 1.131 374 H CA -0.448 55.266 56.048 -0.556 0.000 1.183 374 H CB 1.841 31.241 29.762 -0.602 0.000 1.637 374 H HN 0.900 nan 8.280 nan 0.000 0.531 375 D N 0.732 121.045 120.400 -0.144 0.000 2.478 375 D HA 0.171 4.816 4.640 0.008 0.000 0.269 375 D C 1.216 177.627 176.300 0.185 0.000 1.232 375 D CA -0.468 53.527 54.000 -0.008 0.000 1.059 375 D CB 0.451 41.247 40.800 -0.007 0.000 1.104 375 D HN 0.455 nan 8.370 nan 0.000 0.566 376 A N -0.136 122.785 122.820 0.169 0.000 1.933 376 A HA -0.134 4.191 4.320 0.008 0.000 0.218 376 A C 2.114 179.773 177.584 0.125 0.000 1.175 376 A CA 1.784 53.914 52.037 0.156 0.000 0.628 376 A CB -0.913 18.138 19.000 0.086 0.000 0.814 376 A HN 0.500 nan 8.150 nan 0.000 0.444 377 S N -1.643 114.115 115.700 0.096 0.000 2.555 377 S HA 0.280 4.755 4.470 0.008 0.000 0.230 377 S C 1.559 176.208 174.600 0.082 0.000 0.978 377 S CA 1.052 59.294 58.200 0.071 0.000 0.934 377 S CB -0.122 63.108 63.200 0.050 0.000 0.766 377 S HN 1.647 nan 8.310 nan 0.000 0.533 378 G N 1.390 110.266 108.800 0.128 0.000 2.175 378 G HA2 -0.282 3.683 3.960 0.008 0.000 0.244 378 G HA3 -0.282 3.683 3.960 0.008 0.000 0.244 378 G C 0.087 175.056 174.900 0.116 0.000 0.982 378 G CA 0.056 45.221 45.100 0.108 0.000 0.641 378 G HN 0.470 nan 8.290 nan 0.000 0.527 379 K N 1.273 121.716 120.400 0.072 0.000 2.436 379 K HA 0.318 4.643 4.320 0.008 0.000 0.282 379 K C 1.032 177.620 176.600 -0.020 0.000 1.044 379 K CA -0.420 55.889 56.287 0.036 0.000 1.028 379 K CB 0.189 32.698 32.500 0.016 0.000 0.919 379 K HN 0.354 nan 8.250 nan 0.000 0.474 380 R N 1.746 122.207 120.500 -0.065 0.000 2.583 380 R HA 0.013 4.357 4.340 0.008 0.000 0.274 380 R C -0.400 175.694 176.300 -0.343 0.000 0.998 380 R CA 0.099 55.989 56.100 -0.349 0.000 1.081 380 R CB 0.652 30.740 30.300 -0.354 0.000 0.940 380 R HN 0.350 nan 8.270 nan 0.000 0.413 381 V N 4.862 124.501 119.914 -0.460 0.000 2.623 381 V HA 0.380 4.505 4.120 0.008 0.000 0.304 381 V C -1.489 174.424 176.094 -0.301 0.000 1.054 381 V CA -0.777 61.353 62.300 -0.284 0.000 0.882 381 V CB 1.365 33.088 31.823 -0.167 0.000 1.002 381 V HN 0.620 nan 8.190 nan 0.000 0.424 382 Y N 7.314 127.602 120.300 -0.020 0.000 2.310 382 Y HA 0.720 5.274 4.550 0.007 0.000 0.326 382 Y C 0.041 175.998 175.900 0.096 0.000 1.151 382 Y CA 0.074 58.169 58.100 -0.007 0.000 1.195 382 Y CB 1.359 39.776 38.460 -0.073 0.000 1.210 382 Y HN 0.841 nan 8.280 nan 0.000 0.483 383 Y N 0.130 120.480 120.300 0.084 0.000 2.638 383 Y HA 0.696 5.250 4.550 0.007 0.000 0.335 383 Y C -2.281 173.678 175.900 0.098 0.000 1.155 383 Y CA -1.902 56.238 58.100 0.067 0.000 1.046 383 Y CB 0.640 39.112 38.460 0.021 0.000 1.303 383 Y HN 0.326 nan 8.280 nan 0.000 0.460 384 L N 2.430 123.732 121.223 0.132 0.000 2.289 384 L HA 0.703 5.047 4.340 0.008 0.000 0.285 384 L C 0.282 177.361 176.870 0.348 0.000 1.049 384 L CA 0.134 55.042 54.840 0.114 0.000 0.804 384 L CB 1.091 43.238 42.059 0.146 0.000 1.195 384 L HN 1.039 nan 8.230 nan 0.000 0.428 385 T N 3.993 118.700 114.554 0.255 0.000 2.804 385 T HA 0.903 5.257 4.350 0.008 0.000 0.290 385 T C -0.861 173.980 174.700 0.235 0.000 1.099 385 T CA -0.600 61.732 62.100 0.386 0.000 1.011 385 T CB 1.661 70.747 68.868 0.364 0.000 1.291 385 T HN 0.768 nan 8.240 nan 0.000 0.523 386 R N 0.506 121.070 120.500 0.108 0.000 2.752 386 R HA 0.477 4.821 4.340 0.008 0.000 0.271 386 R C -1.353 174.784 176.300 -0.271 0.000 1.026 386 R CA -1.018 55.033 56.100 -0.082 0.000 0.901 386 R CB 0.469 30.680 30.300 -0.148 0.000 1.243 386 R HN 0.529 nan 8.270 nan 0.000 0.463 387 D N 2.119 122.369 120.400 -0.251 0.000 2.472 387 D HA 0.025 4.669 4.640 0.008 0.000 0.248 387 D C -1.319 174.637 176.300 -0.573 0.000 1.174 387 D CA -1.079 52.721 54.000 -0.332 0.000 0.883 387 D CB 1.162 41.848 40.800 -0.189 0.000 1.149 387 D HN 0.334 nan 8.370 nan 0.000 0.488 388 P HA -0.005 nan 4.420 nan 0.000 0.245 388 P C 1.120 178.076 177.300 -0.572 0.000 1.212 388 P CA 0.136 62.522 63.100 -1.189 0.000 0.774 388 P CB 0.291 31.160 31.700 -1.384 0.000 0.999 389 T N -0.333 114.017 114.554 -0.340 0.000 2.684 389 T HA -0.113 4.242 4.350 0.008 0.000 0.267 389 T C 1.757 176.394 174.700 -0.105 0.000 1.036 389 T CA 2.207 64.209 62.100 -0.163 0.000 1.148 389 T CB -0.912 67.904 68.868 -0.087 0.000 0.863 389 T HN 0.208 nan 8.240 nan 0.000 0.436 390 T N 1.997 116.489 114.554 -0.102 0.000 2.770 390 T HA -0.018 4.336 4.350 0.008 0.000 0.263 390 T C -0.587 174.075 174.700 -0.064 0.000 1.039 390 T CA 0.915 62.986 62.100 -0.048 0.000 1.142 390 T CB -1.147 67.728 68.868 0.012 0.000 0.868 390 T HN 0.312 nan 8.240 nan 0.000 0.435 391 P HA -0.043 nan 4.420 nan 0.000 0.216 391 P C 1.425 178.761 177.300 0.059 0.000 1.153 391 P CA 1.028 64.128 63.100 -0.000 0.000 0.858 391 P CB -0.175 31.489 31.700 -0.060 0.000 0.789 392 L N -1.594 119.619 121.223 -0.016 0.000 2.109 392 L HA -0.079 4.265 4.340 0.008 0.000 0.207 392 L C 2.503 179.414 176.870 0.067 0.000 1.086 392 L CA 1.238 56.099 54.840 0.035 0.000 0.760 392 L CB -1.206 40.836 42.059 -0.027 0.000 0.910 392 L HN -0.069 nan 8.230 nan 0.000 0.437 393 A N 0.585 123.430 122.820 0.043 0.000 1.917 393 A HA -0.234 4.090 4.320 0.008 0.000 0.219 393 A C 2.415 180.066 177.584 0.112 0.000 1.182 393 A CA 1.758 53.839 52.037 0.074 0.000 0.633 393 A CB -0.472 18.549 19.000 0.034 0.000 0.819 393 A HN 0.351 nan 8.150 nan 0.000 0.448 394 R N -0.776 119.767 120.500 0.071 0.000 2.073 394 R HA 0.034 4.379 4.340 0.008 0.000 0.229 394 R C 2.537 178.988 176.300 0.251 0.000 1.120 394 R CA 1.026 57.185 56.100 0.099 0.000 0.967 394 R CB -0.518 29.779 30.300 -0.005 0.000 0.862 394 R HN 0.492 nan 8.270 nan 0.000 0.436 395 A N 1.734 124.732 122.820 0.296 0.000 1.917 395 A HA -0.207 4.117 4.320 0.008 0.000 0.219 395 A C 2.413 180.241 177.584 0.407 0.000 1.182 395 A CA 1.930 54.267 52.037 0.501 0.000 0.633 395 A CB -0.701 18.625 19.000 0.544 0.000 0.819 395 A HN 0.414 nan 8.150 nan 0.000 0.448 396 A N -1.318 121.646 122.820 0.240 0.000 1.877 396 A HA -0.204 4.120 4.320 0.008 0.000 0.216 396 A C 2.114 179.813 177.584 0.192 0.000 1.186 396 A CA 1.458 53.593 52.037 0.163 0.000 0.620 396 A CB -0.977 18.100 19.000 0.128 0.000 0.822 396 A HN 0.830 nan 8.150 nan 0.000 0.443 397 W N 0.983 122.327 121.300 0.075 0.000 2.318 397 W HA -0.190 4.471 4.660 0.001 0.000 0.313 397 W C 1.798 178.370 176.519 0.088 0.000 1.221 397 W CA 2.154 59.533 57.345 0.057 0.000 1.266 397 W CB -0.401 29.074 29.460 0.024 0.000 1.150 397 W HN 0.562 nan 8.180 nan 0.000 0.496 398 E N -0.939 119.524 120.200 0.438 0.000 2.338 398 E HA -0.132 4.222 4.350 0.008 0.000 0.197 398 E C 1.923 178.695 176.600 0.286 0.000 1.007 398 E CA 1.435 58.055 56.400 0.366 0.000 0.849 398 E CB -0.147 29.811 29.700 0.430 0.000 0.774 398 E HN 0.138 nan 8.360 nan 0.000 0.506 399 T N 0.358 115.073 114.554 0.269 0.000 2.821 399 T HA -0.073 4.282 4.350 0.008 0.000 0.267 399 T C 1.788 176.509 174.700 0.035 0.000 1.046 399 T CA 1.228 63.419 62.100 0.152 0.000 1.139 399 T CB 0.063 69.025 68.868 0.157 0.000 0.871 399 T HN 0.215 nan 8.240 nan 0.000 0.454 400 A N 0.176 122.986 122.820 -0.018 0.000 2.252 400 A HA 0.343 4.668 4.320 0.008 0.000 0.213 400 A C 0.902 178.453 177.584 -0.055 0.000 1.188 400 A CA -0.037 51.954 52.037 -0.077 0.000 0.863 400 A CB 0.444 19.336 19.000 -0.181 0.000 0.893 400 A HN 0.088 nan 8.150 nan 0.000 0.495 401 R N 0.093 120.583 120.500 -0.017 0.000 2.604 401 R HA 0.354 4.699 4.340 0.008 0.000 0.281 401 R C -1.816 174.569 176.300 0.141 0.000 1.020 401 R CA -0.567 55.583 56.100 0.083 0.000 0.899 401 R CB 0.946 31.271 30.300 0.042 0.000 1.205 401 R HN 0.396 nan 8.270 nan 0.000 0.450 402 H N 0.678 119.822 119.070 0.123 0.000 2.646 402 H HA 0.280 4.840 4.556 0.007 0.000 0.325 402 H C 0.383 175.785 175.328 0.124 0.000 1.075 402 H CA 0.463 56.588 56.048 0.128 0.000 1.421 402 H CB 1.042 30.858 29.762 0.089 0.000 1.461 402 H HN 0.540 nan 8.280 nan 0.000 0.525 403 T N 0.631 115.286 114.554 0.168 0.000 2.907 403 T HA 0.274 4.629 4.350 0.008 0.000 0.292 403 T C -1.855 172.844 174.700 -0.001 0.000 1.043 403 T CA -1.987 60.167 62.100 0.089 0.000 1.003 403 T CB 2.081 70.994 68.868 0.075 0.000 1.084 403 T HN 0.301 nan 8.240 nan 0.000 0.483 404 P HA 0.116 nan 4.420 nan 0.000 0.219 404 P C 0.249 177.355 177.300 -0.323 0.000 1.150 404 P CA 0.285 63.244 63.100 -0.236 0.000 0.814 404 P CB 0.202 31.689 31.700 -0.356 0.000 0.787 405 V N 1.280 121.042 119.914 -0.252 0.000 2.680 405 V HA 0.292 4.416 4.120 0.008 0.000 0.309 405 V C -0.398 175.585 176.094 -0.185 0.000 1.052 405 V CA -0.858 61.312 62.300 -0.216 0.000 0.908 405 V CB 2.012 33.721 31.823 -0.190 0.000 1.001 405 V HN -0.015 nan 8.190 nan 0.000 0.431 406 N N 2.830 121.366 118.700 -0.272 0.000 2.546 406 N HA 0.137 4.881 4.740 0.008 0.000 0.238 406 N C 0.998 176.217 175.510 -0.484 0.000 0.984 406 N CA 0.090 52.879 53.050 -0.434 0.000 0.935 406 N CB 1.827 39.852 38.487 -0.771 0.000 1.122 406 N HN 0.786 nan 8.380 nan 0.000 0.510 407 S N 2.030 117.577 115.700 -0.254 0.000 2.423 407 S HA -0.089 4.385 4.470 0.008 0.000 0.231 407 S C 1.822 176.356 174.600 -0.110 0.000 1.014 407 S CA 0.001 58.117 58.200 -0.140 0.000 0.965 407 S CB -0.373 62.803 63.200 -0.041 0.000 0.785 407 S HN 0.794 nan 8.310 nan 0.000 0.495 408 W N 1.265 122.468 121.300 -0.160 0.000 2.342 408 W HA -0.067 4.596 4.660 0.006 0.000 0.297 408 W C 1.635 178.062 176.519 -0.154 0.000 1.213 408 W CA 0.533 57.739 57.345 -0.231 0.000 1.251 408 W CB -0.943 27.995 29.460 -0.870 0.000 1.136 408 W HN 0.375 nan 8.180 nan 0.000 0.526 409 L N 2.639 123.328 121.223 -0.889 0.000 2.095 409 L HA 0.235 4.580 4.340 0.008 0.000 0.204 409 L C 2.716 179.420 176.870 -0.277 0.000 1.080 409 L CA 2.697 57.078 54.840 -0.765 0.000 0.759 409 L CB -1.356 39.964 42.059 -1.231 0.000 0.914 409 L HN 0.032 nan 8.230 nan 0.000 0.439 410 G N -0.323 108.326 108.800 -0.251 0.000 2.476 410 G HA2 -0.342 3.623 3.960 0.008 0.000 0.218 410 G HA3 -0.342 3.623 3.960 0.008 0.000 0.218 410 G C 1.449 176.360 174.900 0.020 0.000 1.164 410 G CA 0.943 45.981 45.100 -0.104 0.000 0.768 410 G HN 0.450 nan 8.290 nan 0.000 0.560 411 N N 0.411 119.176 118.700 0.108 0.000 2.309 411 N HA 0.003 4.747 4.740 0.008 0.000 0.182 411 N C 2.191 177.833 175.510 0.219 0.000 1.018 411 N CA 0.536 53.766 53.050 0.299 0.000 0.876 411 N CB -0.102 38.636 38.487 0.420 0.000 0.972 411 N HN 0.378 nan 8.380 nan 0.000 0.434 412 I N 0.473 121.133 120.570 0.150 0.000 2.286 412 I HA -0.159 4.016 4.170 0.008 0.000 0.245 412 I C 1.931 178.097 176.117 0.082 0.000 1.104 412 I CA 0.670 62.042 61.300 0.120 0.000 1.397 412 I CB -0.047 38.090 38.000 0.228 0.000 1.072 412 I HN 0.014 nan 8.210 nan 0.000 0.417 413 I N 0.099 120.727 120.570 0.098 0.000 2.142 413 I HA -0.296 3.879 4.170 0.008 0.000 0.240 413 I C 2.425 178.661 176.117 0.197 0.000 1.078 413 I CA 1.330 62.718 61.300 0.146 0.000 1.343 413 I CB -0.187 37.899 38.000 0.143 0.000 1.046 413 I HN 0.204 nan 8.210 nan 0.000 0.405 414 M N -0.983 118.657 119.600 0.067 0.000 2.388 414 M HA -0.062 4.422 4.480 0.008 0.000 0.265 414 M C 0.794 176.970 176.300 -0.207 0.000 1.088 414 M CA 1.479 56.733 55.300 -0.076 0.000 1.134 414 M CB -0.478 31.963 32.600 -0.265 0.000 1.384 414 M HN 0.193 nan 8.290 nan 0.000 0.447 415 Y N -0.602 119.702 120.300 0.007 0.000 2.734 415 Y HA 0.475 5.030 4.550 0.007 0.000 0.278 415 Y C 1.740 177.384 175.900 -0.426 0.000 1.108 415 Y CA -0.441 57.547 58.100 -0.186 0.000 1.211 415 Y CB -0.794 37.487 38.460 -0.298 0.000 1.182 415 Y HN 0.134 nan 8.280 nan 0.000 0.547 416 A N 0.887 123.480 122.820 -0.378 0.000 1.917 416 A HA -0.144 4.180 4.320 0.008 0.000 0.219 416 A C -0.373 176.911 177.584 -0.500 0.000 1.182 416 A CA 1.620 53.386 52.037 -0.451 0.000 0.633 416 A CB -1.338 17.357 19.000 -0.508 0.000 0.819 416 A HN 0.275 nan 8.150 nan 0.000 0.448 417 P HA 0.004 nan 4.420 nan 0.000 0.233 417 P C 0.733 177.757 177.300 -0.460 0.000 1.167 417 P CA 1.287 64.099 63.100 -0.480 0.000 0.770 417 P CB -0.454 30.982 31.700 -0.440 0.000 0.837 418 T N -1.867 112.429 114.554 -0.431 0.000 2.898 418 T HA 0.158 4.513 4.350 0.008 0.000 0.301 418 T C 1.186 175.511 174.700 -0.625 0.000 1.049 418 T CA -0.670 61.151 62.100 -0.465 0.000 1.095 418 T CB 0.566 68.978 68.868 -0.759 0.000 0.976 418 T HN -0.106 nan 8.240 nan 0.000 0.539 419 L N 1.466 122.246 121.223 -0.739 0.000 2.109 419 L HA 0.132 4.476 4.340 0.008 0.000 0.207 419 L C 2.293 178.864 176.870 -0.499 0.000 1.086 419 L CA 0.880 55.226 54.840 -0.823 0.000 0.760 419 L CB -1.566 39.832 42.059 -1.102 0.000 0.910 419 L HN 0.903 nan 8.230 nan 0.000 0.437 420 W N 0.046 121.130 121.300 -0.360 0.000 2.418 420 W HA 0.150 4.815 4.660 0.007 0.000 0.292 420 W C 1.981 178.354 176.519 -0.242 0.000 1.213 420 W CA 0.792 57.962 57.345 -0.291 0.000 1.283 420 W CB -1.217 28.110 29.460 -0.222 0.000 1.119 420 W HN 0.316 nan 8.180 nan 0.000 0.542 421 A N 1.798 124.184 122.820 -0.723 0.000 1.929 421 A HA -0.080 4.244 4.320 0.008 0.000 0.216 421 A C 2.237 179.665 177.584 -0.261 0.000 1.176 421 A CA 1.452 53.186 52.037 -0.506 0.000 0.628 421 A CB -0.662 17.879 19.000 -0.765 0.000 0.816 421 A HN 0.297 nan 8.150 nan 0.000 0.444 422 R N -0.954 119.323 120.500 -0.371 0.000 2.062 422 R HA 0.072 4.416 4.340 0.008 0.000 0.229 422 R C 2.256 178.392 176.300 -0.273 0.000 1.128 422 R CA 1.652 57.566 56.100 -0.310 0.000 0.960 422 R CB -0.342 29.647 30.300 -0.519 0.000 0.855 422 R HN 0.488 nan 8.270 nan 0.000 0.432 423 M N -0.215 119.056 119.600 -0.547 0.000 2.156 423 M HA -0.043 4.442 4.480 0.008 0.000 0.264 423 M C 1.966 178.120 176.300 -0.244 0.000 1.067 423 M CA 1.592 56.593 55.300 -0.498 0.000 1.131 423 M CB 0.024 32.264 32.600 -0.599 0.000 1.368 423 M HN 0.117 nan 8.290 nan 0.000 0.416 424 I N -0.648 119.651 120.570 -0.452 0.000 2.726 424 I HA -0.111 4.063 4.170 0.008 0.000 0.243 424 I C 2.115 178.029 176.117 -0.338 0.000 1.082 424 I CA 0.411 61.186 61.300 -0.876 0.000 1.447 424 I CB -0.246 37.249 38.000 -0.841 0.000 1.250 424 I HN 0.133 nan 8.210 nan 0.000 0.453 425 L N 0.208 121.421 121.223 -0.016 0.000 2.017 425 L HA -0.198 4.147 4.340 0.008 0.000 0.208 425 L C 2.680 179.807 176.870 0.430 0.000 1.073 425 L CA 1.599 56.615 54.840 0.294 0.000 0.745 425 L CB -0.459 41.821 42.059 0.367 0.000 0.894 425 L HN 0.282 nan 8.230 nan 0.000 0.432 426 M N -0.834 118.993 119.600 0.379 0.000 2.086 426 M HA -0.182 4.303 4.480 0.008 0.000 0.261 426 M C 2.315 179.085 176.300 0.785 0.000 1.067 426 M CA 2.070 57.715 55.300 0.575 0.000 1.116 426 M CB -0.687 32.111 32.600 0.329 0.000 1.348 426 M HN 0.275 nan 8.290 nan 0.000 0.407 427 T N -1.358 113.613 114.554 0.696 0.000 2.674 427 T HA -0.220 4.134 4.350 0.008 0.000 0.265 427 T C 1.660 176.623 174.700 0.438 0.000 1.039 427 T CA 1.880 64.351 62.100 0.619 0.000 1.150 427 T CB -0.617 68.654 68.868 0.671 0.000 0.864 427 T HN 0.439 nan 8.240 nan 0.000 0.427 428 H N 0.475 119.692 119.070 0.245 0.000 2.290 428 H HA -0.061 4.499 4.556 0.007 0.000 0.298 428 H C 1.755 176.946 175.328 -0.229 0.000 1.087 428 H CA 1.740 57.798 56.048 0.017 0.000 1.291 428 H CB -0.490 29.132 29.762 -0.232 0.000 1.369 428 H HN 0.356 nan 8.280 nan 0.000 0.492 429 F N -1.422 118.471 119.950 -0.095 0.000 2.335 429 F HA 0.037 4.568 4.527 0.007 0.000 0.296 429 F C 2.032 177.629 175.800 -0.337 0.000 1.091 429 F CA 0.364 58.061 58.000 -0.505 0.000 1.399 429 F CB -0.510 37.797 39.000 -1.155 0.000 1.067 429 F HN 0.121 nan 8.300 nan 0.000 0.520 430 F N -0.398 119.634 119.950 0.137 0.000 2.171 430 F HA -0.224 4.309 4.527 0.009 0.000 0.300 430 F C 2.769 178.595 175.800 0.044 0.000 1.090 430 F CA 1.636 59.736 58.000 0.168 0.000 1.293 430 F CB -0.885 38.331 39.000 0.360 0.000 1.013 430 F HN -0.107 nan 8.300 nan 0.000 0.486 431 S N 0.402 116.181 115.700 0.132 0.000 2.359 431 S HA -0.197 4.277 4.470 0.008 0.000 0.224 431 S C 2.129 176.686 174.600 -0.071 0.000 1.035 431 S CA 1.539 59.742 58.200 0.006 0.000 1.018 431 S CB -0.490 62.695 63.200 -0.025 0.000 0.876 431 S HN 0.318 nan 8.310 nan 0.000 0.448 432 I N 1.249 121.708 120.570 -0.185 0.000 2.226 432 I HA -0.180 3.994 4.170 0.008 0.000 0.245 432 I C 2.141 178.214 176.117 -0.073 0.000 1.100 432 I CA 1.070 62.262 61.300 -0.181 0.000 1.374 432 I CB -0.321 37.497 38.000 -0.303 0.000 1.057 432 I HN 0.315 nan 8.210 nan 0.000 0.413 433 L N -0.036 121.151 121.223 -0.060 0.000 2.093 433 L HA -0.195 4.149 4.340 0.008 0.000 0.208 433 L C 2.529 179.422 176.870 0.038 0.000 1.085 433 L CA 1.123 55.958 54.840 -0.010 0.000 0.755 433 L CB -0.488 41.533 42.059 -0.064 0.000 0.904 433 L HN 0.276 nan 8.230 nan 0.000 0.435 434 L N -0.054 121.205 121.223 0.060 0.000 1.989 434 L HA -0.223 4.121 4.340 0.008 0.000 0.211 434 L C 2.904 179.793 176.870 0.032 0.000 1.071 434 L CA 1.437 56.316 54.840 0.064 0.000 0.749 434 L CB -0.691 41.408 42.059 0.066 0.000 0.890 434 L HN 0.237 nan 8.230 nan 0.000 0.431 435 A N -1.013 121.812 122.820 0.009 0.000 1.978 435 A HA -0.210 4.115 4.320 0.008 0.000 0.220 435 A C 2.080 179.670 177.584 0.010 0.000 1.170 435 A CA 1.456 53.493 52.037 0.000 0.000 0.636 435 A CB -0.277 18.711 19.000 -0.020 0.000 0.810 435 A HN 0.473 nan 8.150 nan 0.000 0.448 436 Q N -0.839 118.972 119.800 0.019 0.000 2.319 436 Q HA 0.087 4.432 4.340 0.008 0.000 0.202 436 Q C -0.513 175.510 176.000 0.038 0.000 0.896 436 Q CA 0.314 56.136 55.803 0.032 0.000 0.942 436 Q CB 0.069 28.836 28.738 0.048 0.000 1.083 436 Q HN 0.782 nan 8.270 nan 0.000 0.510 437 E N 0.885 121.109 120.200 0.040 0.000 2.228 437 E HA -0.247 4.108 4.350 0.008 0.000 0.213 437 E C -0.319 176.315 176.600 0.056 0.000 1.282 437 E CA 0.258 56.687 56.400 0.048 0.000 0.707 437 E CB -1.061 28.662 29.700 0.039 0.000 1.150 437 E HN 0.421 nan 8.360 nan 0.000 0.362 438 Q N -0.096 119.742 119.800 0.063 0.000 2.165 438 Q HA 0.117 4.462 4.340 0.008 0.000 0.245 438 Q C 1.184 177.230 176.000 0.078 0.000 0.841 438 Q CA -0.545 55.302 55.803 0.073 0.000 1.078 438 Q CB 0.493 29.282 28.738 0.085 0.000 1.169 438 Q HN 0.201 nan 8.270 nan 0.000 0.475 439 L N 0.992 122.266 121.223 0.085 0.000 2.127 439 L HA -0.187 4.158 4.340 0.008 0.000 0.211 439 L C 1.678 178.612 176.870 0.107 0.000 1.089 439 L CA 1.944 56.849 54.840 0.108 0.000 0.757 439 L CB -0.312 41.837 42.059 0.150 0.000 0.899 439 L HN 0.345 nan 8.230 nan 0.000 0.434 440 E N -0.907 119.348 120.200 0.091 0.000 2.474 440 E HA -0.026 4.329 4.350 0.008 0.000 0.195 440 E C 0.672 177.318 176.600 0.076 0.000 1.039 440 E CA -0.159 56.291 56.400 0.083 0.000 0.881 440 E CB 0.383 30.125 29.700 0.070 0.000 0.970 440 E HN 0.298 nan 8.360 nan 0.000 0.486 441 K N 1.862 122.310 120.400 0.080 0.000 2.339 441 K HA 0.278 4.603 4.320 0.008 0.000 0.286 441 K C -0.408 176.242 176.600 0.083 0.000 1.050 441 K CA -0.246 56.088 56.287 0.079 0.000 0.956 441 K CB 0.780 33.333 32.500 0.087 0.000 0.990 441 K HN -0.110 nan 8.250 nan 0.000 0.475 442 A N 5.242 128.108 122.820 0.076 0.000 2.440 442 A HA 0.322 4.647 4.320 0.008 0.000 0.251 442 A C -0.501 177.124 177.584 0.068 0.000 1.089 442 A CA -0.284 51.797 52.037 0.074 0.000 0.779 442 A CB 0.146 19.193 19.000 0.077 0.000 1.022 442 A HN 0.762 nan 8.150 nan 0.000 0.492 443 L N 1.891 123.140 121.223 0.044 0.000 2.362 443 L HA 0.379 4.723 4.340 0.008 0.000 0.271 443 L C -0.869 175.985 176.870 -0.026 0.000 1.002 443 L CA -1.044 53.798 54.840 0.004 0.000 0.818 443 L CB 2.041 44.072 42.059 -0.046 0.000 1.298 443 L HN 0.601 nan 8.230 nan 0.000 0.420 444 D N 1.379 121.759 120.400 -0.034 0.000 2.256 444 D HA 0.450 5.095 4.640 0.008 0.000 0.250 444 D C -0.385 175.840 176.300 -0.124 0.000 1.093 444 D CA -0.009 53.976 54.000 -0.025 0.000 0.882 444 D CB 1.516 42.316 40.800 -0.001 0.000 1.185 444 D HN 0.586 nan 8.370 nan 0.000 0.437 445 C N 0.581 119.823 119.300 -0.096 0.000 3.285 445 C HA 0.702 5.167 4.460 0.008 0.000 0.320 445 C C -0.966 173.990 174.990 -0.057 0.000 1.411 445 C CA -0.833 58.100 59.018 -0.142 0.000 1.429 445 C CB 1.327 28.933 27.740 -0.222 0.000 1.812 445 C HN 0.501 nan 8.230 nan 0.000 0.454 446 Q N 0.408 120.169 119.800 -0.065 0.000 2.340 446 Q HA 0.757 5.102 4.340 0.008 0.000 0.268 446 Q C -1.484 174.499 176.000 -0.028 0.000 1.031 446 Q CA -0.272 55.526 55.803 -0.008 0.000 0.804 446 Q CB 2.271 31.010 28.738 0.001 0.000 1.286 446 Q HN 0.703 nan 8.270 nan 0.000 0.448 447 I N 2.818 123.381 120.570 -0.012 0.000 2.478 447 I HA 0.198 4.373 4.170 0.008 0.000 0.287 447 I C -1.000 175.151 176.117 0.057 0.000 1.042 447 I CA -0.642 60.579 61.300 -0.132 0.000 1.067 447 I CB 1.229 38.897 38.000 -0.554 0.000 1.233 447 I HN 0.642 nan 8.210 nan 0.000 0.431 448 Y N 5.000 125.345 120.300 0.075 0.000 3.491 448 Y HA -0.253 4.302 4.550 0.007 0.000 0.215 448 Y C 1.467 177.329 175.900 -0.064 0.000 1.219 448 Y CA 1.046 59.158 58.100 0.020 0.000 1.485 448 Y CB -2.060 36.418 38.460 0.030 0.000 1.450 448 Y HN 0.982 nan 8.280 nan 0.000 0.603 449 G N -2.242 106.646 108.800 0.147 0.000 2.225 449 G HA2 0.024 3.989 3.960 0.008 0.000 0.254 449 G HA3 0.024 3.989 3.960 0.008 0.000 0.254 449 G C 0.388 175.328 174.900 0.066 0.000 0.988 449 G CA 0.161 45.314 45.100 0.088 0.000 0.625 449 G HN 1.544 nan 8.290 nan 0.000 0.527 450 A N -0.695 122.164 122.820 0.066 0.000 2.303 450 A HA 0.687 5.011 4.320 0.008 0.000 0.317 450 A C 0.448 177.882 177.584 -0.250 0.000 1.149 450 A CA 0.235 52.164 52.037 -0.180 0.000 0.822 450 A CB 1.111 19.955 19.000 -0.259 0.000 1.131 450 A HN 0.963 nan 8.150 nan 0.000 0.493 451 C N 1.264 120.333 119.300 -0.385 0.000 2.369 451 C HA 0.642 5.106 4.460 0.008 0.000 0.358 451 C C -0.739 173.893 174.990 -0.596 0.000 1.274 451 C CA -0.051 58.834 59.018 -0.221 0.000 1.935 451 C CB -1.168 26.641 27.740 0.116 0.000 2.431 451 C HN 0.685 nan 8.230 nan 0.000 0.545 452 Y N 1.159 121.315 120.300 -0.240 0.000 2.462 452 Y HA 0.422 4.976 4.550 0.008 0.000 0.346 452 Y C 0.391 176.196 175.900 -0.158 0.000 0.976 452 Y CA -0.337 57.578 58.100 -0.308 0.000 1.044 452 Y CB 1.615 39.820 38.460 -0.425 0.000 1.230 452 Y HN 0.542 nan 8.280 nan 0.000 0.455 453 S N 4.259 119.957 115.700 -0.002 0.000 2.422 453 S HA 0.643 5.117 4.470 0.008 0.000 0.298 453 S C -0.836 173.824 174.600 0.101 0.000 1.118 453 S CA -0.363 57.881 58.200 0.073 0.000 1.083 453 S CB -0.413 62.848 63.200 0.101 0.000 0.971 453 S HN 0.534 nan 8.310 nan 0.000 0.478 454 I N 4.127 124.746 120.570 0.081 0.000 2.465 454 I HA 0.350 4.525 4.170 0.008 0.000 0.291 454 I C -0.073 176.088 176.117 0.074 0.000 1.014 454 I CA -0.659 60.698 61.300 0.095 0.000 1.093 454 I CB 2.056 40.105 38.000 0.081 0.000 1.267 454 I HN 0.553 nan 8.210 nan 0.000 0.431 455 E N 7.296 127.549 120.200 0.087 0.000 2.152 455 E HA 0.164 4.519 4.350 0.008 0.000 0.285 455 E C -1.765 174.900 176.600 0.109 0.000 1.043 455 E CA -1.574 54.879 56.400 0.089 0.000 0.839 455 E CB 1.184 30.933 29.700 0.082 0.000 1.069 455 E HN 0.336 nan 8.360 nan 0.000 0.399 456 P HA -0.160 nan 4.420 nan 0.000 0.219 456 P C 0.908 178.376 177.300 0.280 0.000 1.146 456 P CA 1.026 64.227 63.100 0.167 0.000 0.808 456 P CB 0.226 31.973 31.700 0.078 0.000 0.779 457 L N -0.952 120.407 121.223 0.227 0.000 2.551 457 L HA -0.049 4.296 4.340 0.008 0.000 0.228 457 L C 1.232 178.191 176.870 0.148 0.000 1.153 457 L CA 0.921 55.897 54.840 0.225 0.000 0.851 457 L CB -0.514 41.645 42.059 0.167 0.000 0.959 457 L HN -0.045 nan 8.230 nan 0.000 0.451 458 D N -0.422 120.054 120.400 0.126 0.000 2.339 458 D HA 0.042 4.687 4.640 0.008 0.000 0.217 458 D C 2.208 178.556 176.300 0.080 0.000 1.050 458 D CA 0.224 54.266 54.000 0.070 0.000 0.856 458 D CB 0.483 41.309 40.800 0.043 0.000 0.922 458 D HN 0.278 nan 8.370 nan 0.000 0.518 459 L N 1.070 122.387 121.223 0.157 0.000 2.043 459 L HA -0.159 4.185 4.340 0.008 0.000 0.212 459 L C -0.493 176.472 176.870 0.159 0.000 1.075 459 L CA 1.579 56.528 54.840 0.181 0.000 0.752 459 L CB -1.373 40.865 42.059 0.298 0.000 0.891 459 L HN 0.039 nan 8.230 nan 0.000 0.432 460 P HA -0.196 nan 4.420 nan 0.000 0.215 460 P C 1.335 178.689 177.300 0.089 0.000 1.153 460 P CA 1.298 64.450 63.100 0.087 0.000 0.853 460 P CB 0.055 31.629 31.700 -0.210 0.000 0.788 461 Q N -0.866 118.920 119.800 -0.023 0.000 2.079 461 Q HA -0.078 4.267 4.340 0.008 0.000 0.200 461 Q C 2.200 178.174 176.000 -0.045 0.000 0.974 461 Q CA 1.181 56.953 55.803 -0.052 0.000 0.840 461 Q CB -0.937 27.752 28.738 -0.083 0.000 0.898 461 Q HN 0.234 nan 8.270 nan 0.000 0.430 462 I N 0.293 120.834 120.570 -0.049 0.000 2.118 462 I HA -0.316 3.859 4.170 0.008 0.000 0.241 462 I C 2.048 178.157 176.117 -0.013 0.000 1.070 462 I CA 1.390 62.627 61.300 -0.106 0.000 1.327 462 I CB -0.307 37.654 38.000 -0.066 0.000 1.034 462 I HN 0.204 nan 8.210 nan 0.000 0.405 463 I N 0.296 120.922 120.570 0.093 0.000 2.315 463 I HA -0.267 3.907 4.170 0.008 0.000 0.248 463 I C 2.627 178.775 176.117 0.052 0.000 1.117 463 I CA 1.301 62.678 61.300 0.128 0.000 1.404 463 I CB -0.363 37.673 38.000 0.060 0.000 1.071 463 I HN 0.315 nan 8.210 nan 0.000 0.419 464 E N 1.174 121.428 120.200 0.089 0.000 2.106 464 E HA -0.273 4.081 4.350 0.008 0.000 0.192 464 E C 2.287 178.890 176.600 0.004 0.000 0.984 464 E CA 1.059 57.503 56.400 0.072 0.000 0.806 464 E CB 0.090 29.872 29.700 0.137 0.000 0.750 464 E HN 0.201 nan 8.360 nan 0.000 0.458 465 R N 0.202 120.683 120.500 -0.031 0.000 2.090 465 R HA 0.029 4.374 4.340 0.008 0.000 0.228 465 R C 2.246 178.486 176.300 -0.099 0.000 1.110 465 R CA 1.057 57.114 56.100 -0.073 0.000 0.973 465 R CB -0.077 30.148 30.300 -0.125 0.000 0.869 465 R HN 0.261 nan 8.270 nan 0.000 0.440 466 L N -1.343 119.801 121.223 -0.132 0.000 2.375 466 L HA 0.021 4.365 4.340 0.008 0.000 0.215 466 L C 1.256 177.814 176.870 -0.520 0.000 1.108 466 L CA 0.806 55.447 54.840 -0.330 0.000 0.830 466 L CB -0.175 41.638 42.059 -0.410 0.000 0.959 466 L HN 0.357 nan 8.230 nan 0.000 0.457 467 H N -0.990 118.014 119.070 -0.110 0.000 3.643 467 H HA 0.285 4.845 4.556 0.007 0.000 0.256 467 H C 0.931 176.188 175.328 -0.118 0.000 1.107 467 H CA 0.712 56.685 56.048 -0.125 0.000 1.175 467 H CB 1.342 30.998 29.762 -0.177 0.000 1.519 467 H HN 0.238 nan 8.280 nan 0.000 0.565 468 G N 1.380 110.183 108.800 0.005 0.000 2.781 468 G HA2 -0.237 3.728 3.960 0.008 0.000 0.683 468 G HA3 -0.237 3.728 3.960 0.008 0.000 0.683 468 G C 0.493 175.375 174.900 -0.030 0.000 1.390 468 G CA -0.076 45.023 45.100 -0.002 0.000 0.850 468 G HN 0.231 nan 8.290 nan 0.000 0.557 469 L N 0.972 122.225 121.223 0.051 0.000 2.291 469 L HA -0.044 4.301 4.340 0.008 0.000 0.214 469 L C 3.097 180.035 176.870 0.114 0.000 1.120 469 L CA 2.356 57.299 54.840 0.172 0.000 0.799 469 L CB -0.515 41.665 42.059 0.202 0.000 0.925 469 L HN 0.986 nan 8.230 nan 0.000 0.446 470 S N -0.513 115.195 115.700 0.014 0.000 2.469 470 S HA -0.119 4.356 4.470 0.008 0.000 0.238 470 S C 2.059 176.588 174.600 -0.118 0.000 0.998 470 S CA 0.732 58.921 58.200 -0.018 0.000 0.957 470 S CB -0.288 62.888 63.200 -0.040 0.000 0.764 470 S HN 0.402 nan 8.310 nan 0.000 0.514 471 A N 1.190 123.842 122.820 -0.280 0.000 1.978 471 A HA 0.067 4.391 4.320 0.008 0.000 0.220 471 A C 1.588 178.931 177.584 -0.402 0.000 1.170 471 A CA 1.265 53.025 52.037 -0.462 0.000 0.636 471 A CB -0.935 17.643 19.000 -0.703 0.000 0.810 471 A HN 0.610 nan 8.150 nan 0.000 0.448 472 F N -0.267 119.694 119.950 0.019 0.000 2.797 472 F HA 0.150 4.681 4.527 0.007 0.000 0.302 472 F C 1.513 177.360 175.800 0.078 0.000 1.130 472 F CA 0.766 58.806 58.000 0.066 0.000 1.387 472 F CB 0.157 39.236 39.000 0.130 0.000 1.107 472 F HN 0.085 nan 8.300 nan 0.000 0.577 473 S N -0.551 115.253 115.700 0.173 0.000 2.847 473 S HA 0.299 4.773 4.470 0.008 0.000 0.254 473 S C 0.345 175.025 174.600 0.133 0.000 1.039 473 S CA -0.351 57.946 58.200 0.162 0.000 1.113 473 S CB 0.214 63.501 63.200 0.146 0.000 1.092 473 S HN 0.013 nan 8.310 nan 0.000 0.620 474 L N 3.529 124.751 121.223 -0.002 0.000 2.485 474 L HA 0.320 4.664 4.340 0.008 0.000 0.275 474 L C 0.460 177.269 176.870 -0.102 0.000 1.207 474 L CA 0.390 55.112 54.840 -0.196 0.000 0.855 474 L CB 0.081 41.874 42.059 -0.443 0.000 1.114 474 L HN 0.543 nan 8.230 nan 0.000 0.485 475 H N -1.510 117.390 119.070 -0.284 0.000 2.948 475 H HA 0.368 4.928 4.556 0.007 0.000 0.315 475 H C -0.353 174.885 175.328 -0.149 0.000 1.360 475 H CA -0.862 55.108 56.048 -0.130 0.000 1.125 475 H CB 1.090 30.864 29.762 0.020 0.000 1.844 475 H HN 0.392 nan 8.280 nan 0.000 0.529 476 S N -0.587 115.179 115.700 0.109 0.000 3.697 476 S HA -0.227 4.248 4.470 0.008 0.000 0.388 476 S C -0.599 174.041 174.600 0.066 0.000 0.941 476 S CA 0.398 58.674 58.200 0.127 0.000 1.247 476 S CB -2.484 60.777 63.200 0.100 0.000 0.904 476 S HN 0.544 nan 8.310 nan 0.000 0.518 477 Y N 2.015 122.357 120.300 0.071 0.000 2.426 477 Y HA 0.274 4.828 4.550 0.008 0.000 0.344 477 Y C 1.436 177.384 175.900 0.079 0.000 1.256 477 Y CA 0.509 58.649 58.100 0.066 0.000 1.451 477 Y CB 0.396 38.890 38.460 0.057 0.000 1.342 477 Y HN 0.542 nan 8.280 nan 0.000 0.600 478 S N 2.146 117.986 115.700 0.232 0.000 2.572 478 S HA 0.106 4.581 4.470 0.008 0.000 0.279 478 S C -1.943 172.737 174.600 0.133 0.000 1.341 478 S CA -1.122 57.163 58.200 0.140 0.000 1.043 478 S CB 1.142 64.397 63.200 0.092 0.000 0.887 478 S HN 0.450 nan 8.310 nan 0.000 0.516 479 P HA 0.016 nan 4.420 nan 0.000 0.216 479 P C 1.688 179.025 177.300 0.063 0.000 1.150 479 P CA 1.621 64.767 63.100 0.076 0.000 0.837 479 P CB -0.486 31.250 31.700 0.060 0.000 0.786 480 G N -0.098 108.736 108.800 0.056 0.000 2.408 480 G HA2 -0.261 3.703 3.960 0.008 0.000 0.217 480 G HA3 -0.261 3.703 3.960 0.008 0.000 0.217 480 G C 1.669 176.596 174.900 0.046 0.000 1.150 480 G CA 0.781 45.906 45.100 0.041 0.000 0.776 480 G HN 0.268 nan 8.290 nan 0.000 0.542 481 E N 0.712 120.958 120.200 0.077 0.000 2.047 481 E HA -0.032 4.322 4.350 0.008 0.000 0.191 481 E C 2.441 179.083 176.600 0.070 0.000 0.987 481 E CA 0.715 57.173 56.400 0.097 0.000 0.799 481 E CB -0.407 29.409 29.700 0.192 0.000 0.752 481 E HN 0.458 nan 8.360 nan 0.000 0.449 482 I N 0.990 121.607 120.570 0.078 0.000 2.163 482 I HA -0.323 3.851 4.170 0.008 0.000 0.243 482 I C 1.893 178.028 176.117 0.030 0.000 1.085 482 I CA 1.268 62.596 61.300 0.047 0.000 1.347 482 I CB -0.489 37.553 38.000 0.071 0.000 1.044 482 I HN 0.185 nan 8.210 nan 0.000 0.408 483 N N 0.628 119.348 118.700 0.034 0.000 2.166 483 N HA -0.206 4.539 4.740 0.008 0.000 0.186 483 N C 1.891 177.405 175.510 0.006 0.000 1.019 483 N CA 1.168 54.231 53.050 0.022 0.000 0.856 483 N CB -0.433 38.068 38.487 0.024 0.000 0.993 483 N HN 0.381 nan 8.380 nan 0.000 0.426 484 R N 0.718 121.217 120.500 -0.002 0.000 2.119 484 R HA 0.033 4.377 4.340 0.008 0.000 0.222 484 R C 1.739 178.006 176.300 -0.055 0.000 1.088 484 R CA 0.588 56.670 56.100 -0.029 0.000 0.984 484 R CB 0.074 30.352 30.300 -0.037 0.000 0.884 484 R HN -0.045 nan 8.270 nan 0.000 0.447 485 V N 1.066 120.953 119.914 -0.044 0.000 2.270 485 V HA -0.172 3.953 4.120 0.008 0.000 0.245 485 V C 2.505 178.581 176.094 -0.031 0.000 1.043 485 V CA 1.884 64.149 62.300 -0.059 0.000 1.014 485 V CB -0.832 30.977 31.823 -0.023 0.000 0.645 485 V HN 0.504 nan 8.190 nan 0.000 0.447 486 A N -0.184 122.633 122.820 -0.005 0.000 1.908 486 A HA -0.278 4.047 4.320 0.008 0.000 0.218 486 A C 2.587 180.176 177.584 0.009 0.000 1.181 486 A CA 2.457 54.502 52.037 0.012 0.000 0.627 486 A CB -0.938 18.076 19.000 0.023 0.000 0.818 486 A HN 0.510 nan 8.150 nan 0.000 0.445 487 S N -1.254 114.446 115.700 0.000 0.000 2.370 487 S HA -0.224 4.250 4.470 0.008 0.000 0.226 487 S C 2.076 176.673 174.600 -0.005 0.000 1.033 487 S CA 1.689 59.890 58.200 0.001 0.000 1.011 487 S CB -1.011 62.187 63.200 -0.004 0.000 0.852 487 S HN 0.777 nan 8.310 nan 0.000 0.457 488 C N 1.348 120.629 119.300 -0.031 0.000 2.425 488 C HA 0.090 4.555 4.460 0.008 0.000 0.277 488 C C 2.502 177.481 174.990 -0.018 0.000 1.280 488 C CA 0.802 59.793 59.018 -0.045 0.000 1.744 488 C CB -1.721 25.951 27.740 -0.112 0.000 1.989 488 C HN 0.696 nan 8.230 nan 0.000 0.491 489 L N 0.249 121.468 121.223 -0.007 0.000 2.093 489 L HA -0.088 4.257 4.340 0.008 0.000 0.208 489 L C 2.992 179.872 176.870 0.016 0.000 1.085 489 L CA 1.503 56.353 54.840 0.017 0.000 0.755 489 L CB -0.857 41.231 42.059 0.048 0.000 0.904 489 L HN 0.371 nan 8.230 nan 0.000 0.435 490 R N 0.422 120.940 120.500 0.030 0.000 2.073 490 R HA -0.153 4.191 4.340 0.008 0.000 0.229 490 R C 2.316 178.678 176.300 0.103 0.000 1.120 490 R CA 1.110 57.242 56.100 0.054 0.000 0.967 490 R CB -0.205 30.126 30.300 0.052 0.000 0.862 490 R HN 0.285 nan 8.270 nan 0.000 0.436 491 K N 0.668 121.119 120.400 0.085 0.000 2.026 491 K HA -0.138 4.186 4.320 0.008 0.000 0.208 491 K C 1.508 178.238 176.600 0.217 0.000 1.048 491 K CA 1.227 57.588 56.287 0.123 0.000 0.929 491 K CB 0.094 32.634 32.500 0.066 0.000 0.713 491 K HN -0.000 nan 8.250 nan 0.000 0.439 492 L N 0.253 121.536 121.223 0.100 0.000 2.558 492 L HA 0.210 4.554 4.340 0.008 0.000 0.225 492 L C 0.915 177.635 176.870 -0.249 0.000 1.128 492 L CA 1.379 56.247 54.840 0.047 0.000 0.868 492 L CB -0.219 41.854 42.059 0.023 0.000 1.006 492 L HN 0.540 nan 8.230 nan 0.000 0.454 493 G N 0.281 108.835 108.800 -0.410 0.000 2.256 493 G HA2 -0.213 3.752 3.960 0.008 0.000 0.272 493 G HA3 -0.213 3.752 3.960 0.008 0.000 0.272 493 G C 0.085 174.834 174.900 -0.253 0.000 1.076 493 G CA 0.256 44.969 45.100 -0.646 0.000 0.882 493 G HN 0.116 nan 8.290 nan 0.000 0.497 494 V N 0.690 120.556 119.914 -0.080 0.000 2.509 494 V HA 0.431 4.555 4.120 0.008 0.000 0.284 494 V C -1.172 174.984 176.094 0.103 0.000 1.047 494 V CA -1.612 60.725 62.300 0.062 0.000 0.952 494 V CB 1.502 33.399 31.823 0.123 0.000 0.988 494 V HN 0.221 nan 8.190 nan 0.000 0.469 495 P HA 0.126 nan 4.420 nan 0.000 0.267 495 P C -2.457 174.915 177.300 0.119 0.000 1.200 495 P CA -0.741 62.348 63.100 -0.018 0.000 0.772 495 P CB -0.232 31.277 31.700 -0.318 0.000 0.855 496 P HA 0.035 nan 4.420 nan 0.000 0.270 496 P C 0.872 178.316 177.300 0.240 0.000 1.223 496 P CA 0.051 63.228 63.100 0.129 0.000 0.785 496 P CB 0.683 32.421 31.700 0.064 0.000 0.923 497 L N 0.858 122.244 121.223 0.272 0.000 2.261 497 L HA -0.200 4.145 4.340 0.008 0.000 0.216 497 L C 2.664 179.723 176.870 0.316 0.000 1.114 497 L CA 1.609 56.650 54.840 0.336 0.000 0.777 497 L CB -0.741 41.423 42.059 0.174 0.000 0.910 497 L HN 0.460 nan 8.230 nan 0.000 0.440 498 R N -1.038 119.585 120.500 0.205 0.000 2.119 498 R HA -0.024 4.320 4.340 0.008 0.000 0.222 498 R C 1.968 178.356 176.300 0.147 0.000 1.088 498 R CA 0.746 56.953 56.100 0.179 0.000 0.984 498 R CB -0.876 29.495 30.300 0.118 0.000 0.884 498 R HN 0.063 nan 8.270 nan 0.000 0.447 499 V N 0.525 120.458 119.914 0.031 0.000 2.407 499 V HA -0.191 3.933 4.120 0.008 0.000 0.248 499 V C 1.802 177.851 176.094 -0.076 0.000 1.055 499 V CA 1.705 63.928 62.300 -0.128 0.000 1.049 499 V CB -0.669 30.941 31.823 -0.355 0.000 0.662 499 V HN 0.379 nan 8.190 nan 0.000 0.455 500 W N 0.136 121.536 121.300 0.168 0.000 2.388 500 W HA -0.081 4.583 4.660 0.007 0.000 0.294 500 W C 2.758 179.496 176.519 0.365 0.000 1.212 500 W CA 1.299 58.790 57.345 0.243 0.000 1.271 500 W CB -0.233 29.364 29.460 0.228 0.000 1.126 500 W HN 0.052 nan 8.180 nan 0.000 0.535 501 R N -0.216 120.635 120.500 0.585 0.000 2.081 501 R HA -0.212 4.132 4.340 0.008 0.000 0.235 501 R C 2.010 178.410 176.300 0.166 0.000 1.131 501 R CA 2.102 58.462 56.100 0.434 0.000 0.960 501 R CB -0.718 29.829 30.300 0.413 0.000 0.856 501 R HN 0.279 nan 8.270 nan 0.000 0.436 502 H N 0.090 119.210 119.070 0.084 0.000 2.290 502 H HA -0.067 4.493 4.556 0.007 0.000 0.298 502 H C 2.097 177.408 175.328 -0.028 0.000 1.087 502 H CA 2.357 58.405 56.048 -0.001 0.000 1.291 502 H CB 0.175 29.924 29.762 -0.022 0.000 1.369 502 H HN 0.161 nan 8.280 nan 0.000 0.492 503 R N -0.131 120.488 120.500 0.198 0.000 2.120 503 R HA -0.054 4.290 4.340 0.008 0.000 0.234 503 R C 2.532 178.835 176.300 0.005 0.000 1.123 503 R CA 0.852 57.017 56.100 0.107 0.000 0.975 503 R CB -0.174 30.186 30.300 0.100 0.000 0.866 503 R HN 0.356 nan 8.270 nan 0.000 0.446 504 A N 1.331 124.161 122.820 0.017 0.000 1.930 504 A HA -0.145 4.180 4.320 0.008 0.000 0.217 504 A C 2.064 179.395 177.584 -0.421 0.000 1.175 504 A CA 1.039 52.934 52.037 -0.236 0.000 0.627 504 A CB -0.279 18.613 19.000 -0.180 0.000 0.815 504 A HN 0.197 nan 8.150 nan 0.000 0.443 505 R N -0.527 119.792 120.500 -0.302 0.000 2.083 505 R HA -0.125 4.220 4.340 0.008 0.000 0.237 505 R C 2.687 178.840 176.300 -0.245 0.000 1.137 505 R CA 1.616 57.547 56.100 -0.283 0.000 0.951 505 R CB -0.482 29.659 30.300 -0.265 0.000 0.851 505 R HN 0.569 nan 8.270 nan 0.000 0.434 506 S N 0.307 115.885 115.700 -0.202 0.000 2.359 506 S HA -0.127 4.348 4.470 0.008 0.000 0.224 506 S C 2.054 176.548 174.600 -0.177 0.000 1.035 506 S CA 1.588 59.698 58.200 -0.150 0.000 1.018 506 S CB -0.206 62.945 63.200 -0.081 0.000 0.876 506 S HN 0.140 nan 8.310 nan 0.000 0.448 507 V N 2.381 122.144 119.914 -0.252 0.000 2.343 507 V HA -0.131 3.993 4.120 0.008 0.000 0.247 507 V C 2.725 178.596 176.094 -0.371 0.000 1.051 507 V CA 2.224 64.333 62.300 -0.317 0.000 1.036 507 V CB -0.932 30.611 31.823 -0.467 0.000 0.654 507 V HN 0.527 nan 8.190 nan 0.000 0.451 508 R N 0.540 120.754 120.500 -0.476 0.000 2.073 508 R HA -0.161 4.183 4.340 0.008 0.000 0.234 508 R C 2.308 178.519 176.300 -0.149 0.000 1.134 508 R CA 1.772 57.699 56.100 -0.289 0.000 0.952 508 R CB -0.509 29.638 30.300 -0.255 0.000 0.850 508 R HN 0.456 nan 8.270 nan 0.000 0.433 509 A N 1.022 123.752 122.820 -0.149 0.000 1.902 509 A HA -0.163 4.162 4.320 0.008 0.000 0.217 509 A C 2.198 179.741 177.584 -0.070 0.000 1.181 509 A CA 1.544 53.521 52.037 -0.100 0.000 0.623 509 A CB -0.422 18.517 19.000 -0.102 0.000 0.818 509 A HN 0.392 nan 8.150 nan 0.000 0.443 510 R N -0.481 119.976 120.500 -0.073 0.000 2.073 510 R HA -0.008 4.336 4.340 0.008 0.000 0.234 510 R C 2.068 178.361 176.300 -0.011 0.000 1.134 510 R CA 1.447 57.525 56.100 -0.037 0.000 0.952 510 R CB -0.547 29.733 30.300 -0.034 0.000 0.850 510 R HN 0.491 nan 8.270 nan 0.000 0.433 511 L N 0.573 121.790 121.223 -0.011 0.000 2.046 511 L HA -0.205 4.139 4.340 0.008 0.000 0.208 511 L C 2.349 179.231 176.870 0.019 0.000 1.077 511 L CA 1.248 56.106 54.840 0.031 0.000 0.747 511 L CB -0.455 41.632 42.059 0.047 0.000 0.896 511 L HN 0.217 nan 8.230 nan 0.000 0.432 512 L N -0.987 120.232 121.223 -0.007 0.000 2.046 512 L HA -0.215 4.130 4.340 0.008 0.000 0.208 512 L C 2.692 179.559 176.870 -0.005 0.000 1.077 512 L CA 1.107 55.941 54.840 -0.010 0.000 0.747 512 L CB -0.546 41.494 42.059 -0.032 0.000 0.896 512 L HN 0.205 nan 8.230 nan 0.000 0.432 513 S N -0.448 115.247 115.700 -0.009 0.000 2.402 513 S HA -0.234 4.240 4.470 0.008 0.000 0.233 513 S C 1.795 176.398 174.600 0.006 0.000 1.030 513 S CA 1.298 59.495 58.200 -0.005 0.000 1.003 513 S CB -0.229 62.966 63.200 -0.009 0.000 0.813 513 S HN 0.543 nan 8.310 nan 0.000 0.477 514 Q N 0.354 120.164 119.800 0.017 0.000 2.424 514 Q HA 0.309 4.654 4.340 0.008 0.000 0.204 514 Q C 1.315 177.332 176.000 0.028 0.000 0.933 514 Q CA 0.306 56.125 55.803 0.027 0.000 0.929 514 Q CB 0.008 28.772 28.738 0.043 0.000 1.037 514 Q HN 0.507 nan 8.270 nan 0.000 0.511 515 G N 0.685 109.499 108.800 0.024 0.000 2.697 515 G HA2 -0.176 3.789 3.960 0.008 0.000 0.240 515 G HA3 -0.176 3.789 3.960 0.008 0.000 0.240 515 G C 0.490 175.409 174.900 0.032 0.000 1.346 515 G CA -0.195 44.918 45.100 0.023 0.000 0.887 515 G HN 0.704 nan 8.290 nan 0.000 0.569 516 G N -0.811 108.005 108.800 0.028 0.000 2.627 516 G HA2 -0.302 3.663 3.960 0.008 0.000 0.312 516 G HA3 -0.302 3.663 3.960 0.008 0.000 0.312 516 G C 1.244 176.167 174.900 0.039 0.000 1.299 516 G CA 1.578 46.697 45.100 0.031 0.000 0.989 516 G HN 1.446 nan 8.290 nan 0.000 0.547 517 R N 0.415 120.943 120.500 0.046 0.000 2.115 517 R HA 0.104 4.448 4.340 0.008 0.000 0.230 517 R C 3.196 179.541 176.300 0.076 0.000 1.111 517 R CA 1.640 57.772 56.100 0.053 0.000 0.976 517 R CB -0.548 29.788 30.300 0.060 0.000 0.870 517 R HN 0.631 nan 8.270 nan 0.000 0.445 518 A N 1.466 124.339 122.820 0.088 0.000 1.908 518 A HA -0.156 4.169 4.320 0.008 0.000 0.218 518 A C 2.394 180.022 177.584 0.073 0.000 1.181 518 A CA 1.769 53.870 52.037 0.108 0.000 0.627 518 A CB -0.609 18.454 19.000 0.105 0.000 0.818 518 A HN 0.386 nan 8.150 nan 0.000 0.445 519 A N -0.969 121.882 122.820 0.052 0.000 1.908 519 A HA -0.107 4.217 4.320 0.008 0.000 0.218 519 A C 2.314 179.924 177.584 0.043 0.000 1.181 519 A CA 2.376 54.434 52.037 0.035 0.000 0.627 519 A CB -1.330 17.685 19.000 0.025 0.000 0.818 519 A HN 0.449 nan 8.150 nan 0.000 0.445 520 T N -0.677 113.914 114.554 0.061 0.000 2.746 520 T HA -0.198 4.156 4.350 0.008 0.000 0.267 520 T C 1.913 176.666 174.700 0.089 0.000 1.039 520 T CA 1.532 63.696 62.100 0.106 0.000 1.142 520 T CB -0.772 68.118 68.868 0.037 0.000 0.866 520 T HN 0.576 nan 8.240 nan 0.000 0.444 521 C N 1.432 120.746 119.300 0.024 0.000 2.398 521 C HA -0.041 4.423 4.460 0.008 0.000 0.276 521 C C 3.104 178.066 174.990 -0.048 0.000 1.222 521 C CA 0.657 59.636 59.018 -0.064 0.000 1.746 521 C CB -1.588 26.095 27.740 -0.095 0.000 2.039 521 C HN 0.746 nan 8.230 nan 0.000 0.470 522 G N -0.155 108.670 108.800 0.042 0.000 2.459 522 G HA2 -0.279 3.685 3.960 0.008 0.000 0.217 522 G HA3 -0.279 3.685 3.960 0.008 0.000 0.217 522 G C 1.660 176.581 174.900 0.036 0.000 1.183 522 G CA 1.119 46.283 45.100 0.107 0.000 0.776 522 G HN 0.615 nan 8.290 nan 0.000 0.552 523 K N -0.837 119.539 120.400 -0.040 0.000 2.057 523 K HA -0.108 4.216 4.320 0.008 0.000 0.207 523 K C 2.218 178.612 176.600 -0.343 0.000 1.049 523 K CA 1.321 57.495 56.287 -0.188 0.000 0.931 523 K CB -0.223 32.136 32.500 -0.234 0.000 0.714 523 K HN 0.461 nan 8.250 nan 0.000 0.440 524 Y N 0.320 120.438 120.300 -0.303 0.000 2.266 524 Y HA 0.027 4.581 4.550 0.008 0.000 0.294 524 Y C 2.073 177.736 175.900 -0.394 0.000 1.127 524 Y CA 0.594 58.348 58.100 -0.576 0.000 1.140 524 Y CB -0.039 37.783 38.460 -1.063 0.000 1.071 524 Y HN -0.089 nan 8.280 nan 0.000 0.525 525 L N -1.511 119.582 121.223 -0.218 0.000 2.141 525 L HA -0.137 4.207 4.340 0.008 0.000 0.209 525 L C 0.559 177.180 176.870 -0.415 0.000 1.094 525 L CA 1.331 55.976 54.840 -0.324 0.000 0.763 525 L CB -0.297 41.279 42.059 -0.805 0.000 0.908 525 L HN 0.193 nan 8.230 nan 0.000 0.437 526 F N -1.700 118.228 119.950 -0.036 0.000 2.791 526 F HA 0.189 4.721 4.527 0.007 0.000 0.308 526 F C 1.634 177.166 175.800 -0.447 0.000 1.138 526 F CA -0.364 57.428 58.000 -0.347 0.000 1.294 526 F CB -0.790 37.993 39.000 -0.363 0.000 0.975 526 F HN 0.009 nan 8.300 nan 0.000 0.512 527 N N 1.060 119.709 118.700 -0.085 0.000 2.289 527 N HA -0.171 4.573 4.740 0.008 0.000 0.184 527 N C 1.983 177.483 175.510 -0.016 0.000 1.016 527 N CA 1.442 54.449 53.050 -0.072 0.000 0.872 527 N CB -0.086 38.375 38.487 -0.044 0.000 0.973 527 N HN 0.594 nan 8.380 nan 0.000 0.433 528 W N 0.533 121.882 121.300 0.082 0.000 2.421 528 W HA 0.009 4.673 4.660 0.007 0.000 0.270 528 W C 1.491 178.068 176.519 0.096 0.000 1.233 528 W CA 0.695 58.095 57.345 0.093 0.000 1.226 528 W CB -0.731 28.798 29.460 0.114 0.000 1.121 528 W HN -0.016 nan 8.180 nan 0.000 0.579 529 A N 1.528 123.942 122.820 -0.677 0.000 2.067 529 A HA 0.138 4.462 4.320 0.008 0.000 0.217 529 A C 1.180 178.610 177.584 -0.257 0.000 1.156 529 A CA 1.254 52.859 52.037 -0.720 0.000 0.683 529 A CB -0.893 17.492 19.000 -1.025 0.000 0.808 529 A HN 0.173 nan 8.150 nan 0.000 0.455 530 V N -2.218 117.591 119.914 -0.175 0.000 2.713 530 V HA 0.405 4.530 4.120 0.008 0.000 0.307 530 V C 1.067 177.132 176.094 -0.049 0.000 1.052 530 V CA -0.382 61.852 62.300 -0.111 0.000 0.967 530 V CB 1.541 33.293 31.823 -0.119 0.000 1.019 530 V HN 0.563 nan 8.190 nan 0.000 0.459 531 K N 1.768 122.141 120.400 -0.044 0.000 1.991 531 K HA -0.107 4.217 4.320 0.008 0.000 0.212 531 K C 1.107 177.688 176.600 -0.031 0.000 1.049 531 K CA 1.897 58.168 56.287 -0.026 0.000 0.932 531 K CB -0.522 31.962 32.500 -0.027 0.000 0.717 531 K HN 0.716 nan 8.250 nan 0.000 0.441 532 T N 1.503 116.032 114.554 -0.043 0.000 3.016 532 T HA 0.270 4.624 4.350 0.008 0.000 0.335 532 T C -0.831 173.838 174.700 -0.052 0.000 1.176 532 T CA -0.826 61.248 62.100 -0.043 0.000 0.987 532 T CB 0.385 69.227 68.868 -0.042 0.000 1.073 532 T HN 0.082 nan 8.240 nan 0.000 0.547 533 K N 3.115 123.487 120.400 -0.047 0.000 2.319 533 K HA 0.422 4.747 4.320 0.008 0.000 0.265 533 K C -0.126 176.435 176.600 -0.065 0.000 1.000 533 K CA -0.318 55.937 56.287 -0.053 0.000 0.943 533 K CB 0.331 32.810 32.500 -0.034 0.000 0.950 533 K HN 0.434 nan 8.250 nan 0.000 0.485 534 L N 1.890 123.058 121.223 -0.091 0.000 2.375 534 L HA 0.262 4.607 4.340 0.008 0.000 0.271 534 L C 0.537 177.351 176.870 -0.094 0.000 1.107 534 L CA 0.059 54.835 54.840 -0.106 0.000 0.806 534 L CB 0.604 42.566 42.059 -0.162 0.000 1.146 534 L HN 0.381 nan 8.230 nan 0.000 0.447 535 K N 2.879 123.235 120.400 -0.074 0.000 2.316 535 K HA 0.329 4.654 4.320 0.008 0.000 0.289 535 K C -1.024 175.531 176.600 -0.075 0.000 1.070 535 K CA -0.324 55.934 56.287 -0.049 0.000 0.928 535 K CB 0.265 32.752 32.500 -0.023 0.000 1.039 535 K HN 0.496 nan 8.250 nan 0.000 0.480 536 L N 4.338 125.520 121.223 -0.069 0.000 2.290 536 L HA 0.180 4.524 4.340 0.008 0.000 0.284 536 L C 0.875 177.788 176.870 0.070 0.000 1.078 536 L CA -0.431 54.345 54.840 -0.107 0.000 0.815 536 L CB 1.241 43.224 42.059 -0.127 0.000 1.162 536 L HN 0.724 nan 8.230 nan 0.000 0.435 537 T N 0.897 115.523 114.554 0.120 0.000 2.944 537 T HA 0.579 4.933 4.350 0.008 0.000 0.284 537 T C -2.511 172.313 174.700 0.207 0.000 1.010 537 T CA -2.172 60.012 62.100 0.140 0.000 1.025 537 T CB 1.586 70.508 68.868 0.090 0.000 1.079 537 T HN 0.200 nan 8.240 nan 0.000 0.516 538 P HA 0.257 nan 4.420 nan 0.000 0.268 538 P C -0.601 176.713 177.300 0.023 0.000 1.208 538 P CA -0.231 62.914 63.100 0.075 0.000 0.777 538 P CB 0.200 31.928 31.700 0.046 0.000 0.875 539 I N 4.357 124.879 120.570 -0.080 0.000 2.325 539 I HA 0.147 4.322 4.170 0.008 0.000 0.291 539 I C -1.236 174.831 176.117 -0.083 0.000 1.019 539 I CA -1.993 59.213 61.300 -0.158 0.000 1.302 539 I CB 1.225 39.022 38.000 -0.338 0.000 1.401 539 I HN 0.307 nan 8.210 nan 0.000 0.485 540 P HA -0.276 nan 4.420 nan 0.000 0.217 540 P C 1.191 178.466 177.300 -0.042 0.000 1.162 540 P CA 1.412 64.492 63.100 -0.033 0.000 0.901 540 P CB 0.197 31.884 31.700 -0.021 0.000 0.793 541 A N -1.201 121.587 122.820 -0.053 0.000 2.255 541 A HA 0.241 4.565 4.320 0.008 0.000 0.206 541 A C 1.909 179.454 177.584 -0.065 0.000 1.193 541 A CA 1.028 53.033 52.037 -0.052 0.000 0.794 541 A CB -1.117 17.855 19.000 -0.047 0.000 0.794 541 A HN 0.213 nan 8.150 nan 0.000 0.481 542 A N -1.451 121.327 122.820 -0.070 0.000 2.275 542 A HA 0.287 4.611 4.320 0.008 0.000 0.212 542 A C 1.863 179.410 177.584 -0.062 0.000 1.201 542 A CA 1.005 52.998 52.037 -0.073 0.000 0.843 542 A CB -0.179 18.778 19.000 -0.072 0.000 0.873 542 A HN 0.345 nan 8.150 nan 0.000 0.492 543 S N -1.047 114.623 115.700 -0.050 0.000 2.524 543 S HA 0.153 4.628 4.470 0.008 0.000 0.215 543 S C 1.657 176.229 174.600 -0.047 0.000 0.986 543 S CA -0.046 58.129 58.200 -0.043 0.000 0.911 543 S CB -0.089 63.094 63.200 -0.028 0.000 0.805 543 S HN 0.624 nan 8.310 nan 0.000 0.501 544 R N 0.006 120.474 120.500 -0.053 0.000 2.365 544 R HA 0.334 4.679 4.340 0.008 0.000 0.223 544 R C -0.059 176.202 176.300 -0.065 0.000 0.899 544 R CA -0.151 55.920 56.100 -0.050 0.000 1.059 544 R CB 0.303 30.581 30.300 -0.038 0.000 1.086 544 R HN 0.276 nan 8.270 nan 0.000 0.522 545 L N 2.150 123.317 121.223 -0.093 0.000 2.453 545 L HA -0.007 4.338 4.340 0.008 0.000 0.272 545 L C 0.069 176.854 176.870 -0.141 0.000 1.182 545 L CA 0.050 54.814 54.840 -0.127 0.000 0.858 545 L CB 0.470 42.416 42.059 -0.189 0.000 1.120 545 L HN -0.055 nan 8.230 nan 0.000 0.474 546 D N 4.079 124.404 120.400 -0.125 0.000 2.453 546 D HA 0.125 4.769 4.640 0.008 0.000 0.223 546 D C 0.252 176.445 176.300 -0.179 0.000 1.183 546 D CA -0.204 53.733 54.000 -0.105 0.000 0.933 546 D CB 0.716 41.489 40.800 -0.045 0.000 1.038 546 D HN 0.188 nan 8.370 nan 0.000 0.513 547 L N 2.556 123.628 121.223 -0.252 0.000 2.685 547 L HA 0.141 4.486 4.340 0.008 0.000 0.233 547 L C 0.738 177.530 176.870 -0.131 0.000 1.173 547 L CA -0.054 54.513 54.840 -0.456 0.000 0.961 547 L CB -0.804 40.916 42.059 -0.565 0.000 1.217 547 L HN 0.279 nan 8.230 nan 0.000 0.478 548 S N -1.304 114.381 115.700 -0.026 0.000 2.562 548 S HA 0.474 4.948 4.470 0.008 0.000 0.281 548 S C 1.397 176.049 174.600 0.087 0.000 1.333 548 S CA 0.196 58.418 58.200 0.035 0.000 1.052 548 S CB 1.161 64.368 63.200 0.012 0.000 0.884 548 S HN 0.600 nan 8.310 nan 0.000 0.506 549 G N 1.619 110.433 108.800 0.022 0.000 2.284 549 G HA2 -0.233 3.732 3.960 0.008 0.000 0.230 549 G HA3 -0.233 3.732 3.960 0.008 0.000 0.230 549 G C -0.282 174.604 174.900 -0.023 0.000 1.021 549 G CA -0.038 44.949 45.100 -0.188 0.000 0.619 549 G HN 0.725 nan 8.290 nan 0.000 0.510 550 W N 1.048 122.203 121.300 -0.242 0.000 2.316 550 W HA 0.685 5.351 4.660 0.009 0.000 0.311 550 W C 0.587 176.906 176.519 -0.334 0.000 1.217 550 W CA -0.146 56.865 57.345 -0.556 0.000 1.199 550 W CB -0.456 28.491 29.460 -0.855 0.000 1.202 550 W HN 0.394 nan 8.180 nan 0.000 0.528 551 F N 1.260 121.349 119.950 0.231 0.000 3.040 551 F HA -0.274 4.257 4.527 0.008 0.000 0.298 551 F C 0.567 176.493 175.800 0.210 0.000 0.948 551 F CA 0.118 58.269 58.000 0.252 0.000 1.022 551 F CB -1.968 37.148 39.000 0.193 0.000 1.023 551 F HN 0.165 nan 8.300 nan 0.000 0.742 552 V N -1.562 118.539 119.914 0.312 0.000 2.743 552 V HA 0.647 4.772 4.120 0.008 0.000 0.237 552 V C 1.324 177.566 176.094 0.245 0.000 1.113 552 V CA 1.077 63.516 62.300 0.231 0.000 1.141 552 V CB 0.566 32.492 31.823 0.172 0.000 0.873 552 V HN 0.666 nan 8.190 nan 0.000 0.486 553 A N -0.783 122.155 122.820 0.196 0.000 2.593 553 A HA 0.789 5.114 4.320 0.008 0.000 0.290 553 A C -0.228 177.063 177.584 -0.488 0.000 1.126 553 A CA 0.077 52.090 52.037 -0.040 0.000 0.695 553 A CB 1.140 19.960 19.000 -0.300 0.000 1.290 553 A HN 0.391 nan 8.150 nan 0.000 0.414 554 G N -1.403 106.801 108.800 -0.993 0.000 2.425 554 G HA2 0.546 4.511 3.960 0.008 0.000 0.302 554 G HA3 0.546 4.511 3.960 0.008 0.000 0.302 554 G C -0.954 173.249 174.900 -1.161 0.000 1.159 554 G CA -0.129 43.990 45.100 -1.635 0.000 0.865 554 G HN 0.628 nan 8.290 nan 0.000 0.515 555 Y N 0.335 120.418 120.300 -0.363 0.000 2.750 555 Y HA 0.290 4.844 4.550 0.007 0.000 0.247 555 Y C 1.153 176.987 175.900 -0.110 0.000 1.098 555 Y CA -0.822 57.179 58.100 -0.165 0.000 1.120 555 Y CB 0.416 38.816 38.460 -0.100 0.000 1.210 555 Y HN 0.504 nan 8.280 nan 0.000 0.601 556 S N 1.031 116.713 115.700 -0.029 0.000 2.673 556 S HA 0.275 4.750 4.470 0.008 0.000 0.308 556 S C 1.481 176.114 174.600 0.054 0.000 1.246 556 S CA 1.532 59.747 58.200 0.025 0.000 1.077 556 S CB -0.083 63.136 63.200 0.031 0.000 0.814 556 S HN 1.122 nan 8.310 nan 0.000 0.503 557 G N 3.611 112.444 108.800 0.055 0.000 2.175 557 G HA2 -0.244 3.720 3.960 0.008 0.000 0.265 557 G HA3 -0.244 3.720 3.960 0.008 0.000 0.265 557 G C 0.780 175.715 174.900 0.058 0.000 0.979 557 G CA 0.479 45.613 45.100 0.056 0.000 0.663 557 G HN 1.330 nan 8.290 nan 0.000 0.533 558 G N -0.502 108.336 108.800 0.065 0.000 3.042 558 G HA2 0.392 4.357 3.960 0.008 0.000 0.212 558 G HA3 0.392 4.357 3.960 0.008 0.000 0.212 558 G C 0.457 175.369 174.900 0.019 0.000 1.166 558 G CA 1.069 46.218 45.100 0.081 0.000 0.767 558 G HN 1.170 nan 8.290 nan 0.000 0.546 559 D N -0.487 119.888 120.400 -0.041 0.000 2.716 559 D HA -0.156 4.489 4.640 0.008 0.000 0.239 559 D C -0.178 176.020 176.300 -0.170 0.000 1.125 559 D CA 0.313 54.246 54.000 -0.113 0.000 0.681 559 D CB -1.231 39.515 40.800 -0.090 0.000 1.070 559 D HN 0.116 nan 8.370 nan 0.000 0.432 560 I N 1.313 121.749 120.570 -0.224 0.000 2.441 560 I HA 0.413 4.588 4.170 0.008 0.000 0.295 560 I C -0.120 175.718 176.117 -0.465 0.000 0.994 560 I CA -0.740 60.319 61.300 -0.401 0.000 1.144 560 I CB 1.359 38.982 38.000 -0.628 0.000 1.314 560 I HN 0.096 nan 8.210 nan 0.000 0.445 561 Y N 5.841 125.723 120.300 -0.697 0.000 2.425 561 Y HA 0.527 5.083 4.550 0.009 0.000 0.344 561 Y C -0.509 174.912 175.900 -0.797 0.000 0.969 561 Y CA -0.408 57.301 58.100 -0.652 0.000 1.052 561 Y CB 1.242 39.460 38.460 -0.404 0.000 1.215 561 Y HN 0.516 nan 8.280 nan 0.000 0.451 562 H N 0.000 118.439 119.070 -1.051 0.000 2.539 562 H HA 0.000 4.561 4.556 0.008 0.000 0.296 562 H CA 0.000 55.577 56.048 -0.784 0.000 1.023 562 H CB 0.000 29.326 29.762 -0.727 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496