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 3cj0_1_A DATA FIRST_RESID 0 DATA SEQUENCE HHMSYTWTGA LITPCAAEES KLPINALSNS LLRHHNMVYA TTSRSAGLRQ DATA SEQUENCE KKVTFDRLQV LDDHYRDVLK EMKAKASTVK AKLLSVEEAC KLTPPHSAKS DATA SEQUENCE KFGYGAKDVR NLSSKAVNHI HSVWKDLLED TVTPIDTTIM AKNEVFCVQP DATA SEQUENCE EXXGRKPARL 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 IYHS 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 0.000 175.104 175.328 -0.373 0.000 0.993 0 H CA 0.000 55.944 56.048 -0.174 0.000 1.023 0 H CB 0.000 29.709 29.762 -0.087 0.000 1.292 1 H N 3.229 122.289 119.070 -0.015 0.000 2.355 1 H HA 0.378 4.934 4.556 -0.001 0.000 0.232 1 H C 0.200 175.499 175.328 -0.048 0.000 1.422 1 H CA -0.728 55.301 56.048 -0.033 0.000 1.261 1 H CB 0.065 29.812 29.762 -0.024 0.000 1.595 1 H HN 0.596 nan 8.280 nan 0.000 0.529 2 M N 1.032 120.626 119.600 -0.010 0.000 2.228 2 M HA 0.053 4.532 4.480 -0.001 0.000 0.351 2 M C 1.623 177.833 176.300 -0.150 0.000 1.233 2 M CA 0.084 55.354 55.300 -0.050 0.000 1.129 2 M CB 1.033 33.608 32.600 -0.041 0.000 1.604 2 M HN 0.537 nan 8.290 nan 0.000 0.457 3 S N 2.925 118.470 115.700 -0.260 0.000 2.370 3 S HA -0.109 4.361 4.470 -0.001 0.000 0.226 3 S C 0.176 174.388 174.600 -0.648 0.000 1.033 3 S CA 1.037 58.959 58.200 -0.462 0.000 1.011 3 S CB -0.238 62.602 63.200 -0.600 0.000 0.852 3 S HN 0.650 nan 8.310 nan 0.000 0.457 4 Y N 0.684 120.809 120.300 -0.291 0.000 2.562 4 Y HA 0.566 5.115 4.550 -0.001 0.000 0.345 4 Y C 0.002 175.595 175.900 -0.512 0.000 1.045 4 Y CA -0.871 56.923 58.100 -0.510 0.000 1.028 4 Y CB 1.995 39.916 38.460 -0.897 0.000 1.297 4 Y HN 0.144 nan 8.280 nan 0.000 0.463 5 T N -2.395 111.920 114.554 -0.398 0.000 2.887 5 T HA 0.704 5.054 4.350 -0.001 0.000 0.288 5 T C -1.358 173.098 174.700 -0.406 0.000 1.021 5 T CA -0.801 61.126 62.100 -0.289 0.000 1.000 5 T CB 1.245 70.052 68.868 -0.102 0.000 1.034 5 T HN 0.559 nan 8.240 nan 0.000 0.467 6 W N 0.858 122.211 121.300 0.087 0.000 2.819 6 W HA 0.462 5.121 4.660 -0.001 0.000 0.337 6 W C 1.456 178.002 176.519 0.044 0.000 1.077 6 W CA -0.767 56.615 57.345 0.061 0.000 1.226 6 W CB 2.239 31.718 29.460 0.031 0.000 1.419 6 W HN 0.939 nan 8.180 nan 0.000 0.502 7 T N -2.047 112.686 114.554 0.298 0.000 2.978 7 T HA 0.276 4.626 4.350 -0.001 0.000 0.262 7 T C 1.483 176.268 174.700 0.141 0.000 1.063 7 T CA 1.166 63.368 62.100 0.171 0.000 1.140 7 T CB -0.060 68.885 68.868 0.130 0.000 0.886 7 T HN 1.215 nan 8.240 nan 0.000 0.470 8 G N 1.202 110.092 108.800 0.150 0.000 2.253 8 G HA2 0.068 4.027 3.960 -0.001 0.000 0.209 8 G HA3 0.068 4.027 3.960 -0.001 0.000 0.209 8 G C 0.369 175.292 174.900 0.037 0.000 0.997 8 G CA -0.107 45.035 45.100 0.069 0.000 0.640 8 G HN 1.095 nan 8.290 nan 0.000 0.496 9 A N 0.952 123.808 122.820 0.060 0.000 2.483 9 A HA 0.600 4.920 4.320 -0.001 0.000 0.238 9 A C 0.814 178.404 177.584 0.010 0.000 1.070 9 A CA 0.322 52.382 52.037 0.038 0.000 0.770 9 A CB 0.144 19.176 19.000 0.054 0.000 1.008 9 A HN 0.896 nan 8.150 nan 0.000 0.497 10 L N 1.877 123.094 121.223 -0.010 0.000 2.418 10 L HA 0.298 4.637 4.340 -0.001 0.000 0.265 10 L C 0.067 176.920 176.870 -0.028 0.000 1.143 10 L CA -0.378 54.439 54.840 -0.040 0.000 0.809 10 L CB 0.729 42.767 42.059 -0.034 0.000 1.124 10 L HN 0.555 nan 8.230 nan 0.000 0.456 11 I N 1.898 122.433 120.570 -0.058 0.000 2.436 11 I HA 0.059 4.229 4.170 -0.001 0.000 0.289 11 I C 0.518 176.627 176.117 -0.013 0.000 1.083 11 I CA 0.088 61.369 61.300 -0.031 0.000 1.372 11 I CB 0.603 38.568 38.000 -0.058 0.000 1.408 11 I HN 0.660 nan 8.210 nan 0.000 0.516 12 T N 4.991 119.549 114.554 0.006 0.000 2.895 12 T HA 0.581 4.930 4.350 -0.001 0.000 0.283 12 T C -2.421 172.294 174.700 0.025 0.000 1.014 12 T CA -2.070 60.037 62.100 0.011 0.000 1.037 12 T CB 1.817 70.691 68.868 0.010 0.000 1.006 12 T HN 0.252 nan 8.240 nan 0.000 0.468 13 P HA 0.312 nan 4.420 nan 0.000 0.274 13 P C 0.123 177.445 177.300 0.036 0.000 1.256 13 P CA -0.669 62.453 63.100 0.036 0.000 0.795 13 P CB 0.755 32.477 31.700 0.036 0.000 1.038 14 C N -0.169 119.156 119.300 0.042 0.000 2.674 14 C HA 0.540 5.000 4.460 -0.001 0.000 0.276 14 C C 1.175 176.184 174.990 0.032 0.000 1.300 14 C CA 1.019 60.060 59.018 0.038 0.000 1.732 14 C CB -0.760 27.008 27.740 0.047 0.000 2.076 14 C HN 0.725 nan 8.230 nan 0.000 0.548 15 A N -0.714 122.127 122.820 0.035 0.000 2.557 15 A HA 0.729 5.049 4.320 -0.001 0.000 0.292 15 A C -0.897 176.712 177.584 0.041 0.000 1.139 15 A CA 0.135 52.193 52.037 0.035 0.000 0.665 15 A CB -0.288 18.733 19.000 0.035 0.000 1.285 15 A HN 0.566 nan 8.150 nan 0.000 0.433 16 A N 0.144 122.990 122.820 0.043 0.000 2.540 16 A HA 0.476 4.796 4.320 -0.001 0.000 0.239 16 A C 0.012 177.637 177.584 0.068 0.000 1.061 16 A CA 0.631 52.699 52.037 0.051 0.000 0.758 16 A CB -0.454 18.576 19.000 0.049 0.000 0.991 16 A HN 0.596 nan 8.150 nan 0.000 0.502 17 E N 1.627 121.873 120.200 0.077 0.000 2.183 17 E HA 0.361 4.711 4.350 -0.001 0.000 0.271 17 E C -0.915 175.766 176.600 0.135 0.000 0.919 17 E CA -0.456 56.004 56.400 0.101 0.000 0.781 17 E CB 1.704 31.454 29.700 0.084 0.000 1.140 17 E HN 0.744 nan 8.360 nan 0.000 0.402 18 E N 1.024 121.348 120.200 0.205 0.000 2.175 18 E HA 0.143 4.492 4.350 -0.001 0.000 0.278 18 E C 0.098 176.924 176.600 0.376 0.000 0.969 18 E CA -0.199 56.361 56.400 0.267 0.000 0.796 18 E CB 1.364 31.250 29.700 0.311 0.000 1.104 18 E HN 0.554 nan 8.360 nan 0.000 0.395 19 S N 0.995 116.884 115.700 0.316 0.000 2.497 19 S HA 0.073 4.543 4.470 -0.001 0.000 0.221 19 S C 1.070 175.942 174.600 0.454 0.000 1.037 19 S CA -0.353 58.065 58.200 0.362 0.000 0.920 19 S CB -0.032 63.316 63.200 0.246 0.000 0.800 19 S HN 0.388 nan 8.310 nan 0.000 0.505 20 K N 1.871 122.450 120.400 0.298 0.000 2.218 20 K HA 0.635 4.954 4.320 -0.001 0.000 0.276 20 K C -0.354 176.253 176.600 0.011 0.000 1.022 20 K CA -0.816 55.583 56.287 0.186 0.000 0.946 20 K CB -0.233 32.318 32.500 0.084 0.000 1.000 20 K HN 0.357 nan 8.250 nan 0.000 0.468 21 L N 4.002 125.222 121.223 -0.006 0.000 2.615 21 L HA 0.181 4.521 4.340 -0.001 0.000 0.271 21 L C -2.216 174.367 176.870 -0.479 0.000 1.183 21 L CA -1.317 53.321 54.840 -0.337 0.000 0.933 21 L CB 0.124 42.144 42.059 -0.066 0.000 1.199 21 L HN 0.545 nan 8.230 nan 0.000 0.487 22 P HA 0.197 nan 4.420 nan 0.000 0.268 22 P C -0.979 176.080 177.300 -0.402 0.000 1.205 22 P CA -0.024 62.770 63.100 -0.511 0.000 0.771 22 P CB 0.548 31.895 31.700 -0.588 0.000 0.858 23 I N 2.908 123.305 120.570 -0.289 0.000 2.465 23 I HA 0.354 4.523 4.170 -0.001 0.000 0.291 23 I C 0.395 176.408 176.117 -0.174 0.000 1.014 23 I CA -0.688 60.451 61.300 -0.269 0.000 1.093 23 I CB 1.471 39.309 38.000 -0.269 0.000 1.267 23 I HN 0.479 nan 8.210 nan 0.000 0.431 24 N N 4.406 123.019 118.700 -0.145 0.000 3.294 24 N HA 0.476 5.216 4.740 -0.001 0.000 0.355 24 N C 0.468 175.941 175.510 -0.061 0.000 1.497 24 N CA -0.387 52.609 53.050 -0.091 0.000 0.707 24 N CB 0.443 38.879 38.487 -0.086 0.000 1.732 24 N HN 0.372 nan 8.380 nan 0.000 0.640 25 A N -0.638 122.157 122.820 -0.041 0.000 2.119 25 A HA 0.161 4.480 4.320 -0.001 0.000 0.217 25 A C 1.803 179.378 177.584 -0.014 0.000 1.153 25 A CA 0.742 52.766 52.037 -0.023 0.000 0.692 25 A CB -0.909 18.079 19.000 -0.021 0.000 0.799 25 A HN 0.533 nan 8.150 nan 0.000 0.458 26 L N -1.098 120.114 121.223 -0.018 0.000 2.477 26 L HA 0.010 4.350 4.340 -0.001 0.000 0.220 26 L C 2.462 179.361 176.870 0.049 0.000 1.106 26 L CA 0.529 55.376 54.840 0.011 0.000 0.851 26 L CB -0.250 41.800 42.059 -0.014 0.000 0.994 26 L HN 0.230 nan 8.230 nan 0.000 0.462 27 S N 0.678 116.378 115.700 0.001 0.000 2.359 27 S HA -0.154 4.315 4.470 -0.001 0.000 0.224 27 S C 1.701 176.342 174.600 0.068 0.000 1.035 27 S CA 1.504 59.696 58.200 -0.014 0.000 1.018 27 S CB -0.284 62.821 63.200 -0.157 0.000 0.876 27 S HN 0.469 nan 8.310 nan 0.000 0.448 28 N N 1.587 120.346 118.700 0.099 0.000 2.364 28 N HA -0.059 4.681 4.740 -0.001 0.000 0.183 28 N C 1.859 177.400 175.510 0.052 0.000 1.022 28 N CA 1.220 54.342 53.050 0.120 0.000 0.883 28 N CB -0.522 38.022 38.487 0.094 0.000 0.965 28 N HN 0.588 nan 8.380 nan 0.000 0.438 29 S N -0.310 115.415 115.700 0.043 0.000 2.447 29 S HA -0.040 4.429 4.470 -0.001 0.000 0.233 29 S C 1.797 176.420 174.600 0.039 0.000 1.006 29 S CA 0.424 58.628 58.200 0.007 0.000 0.957 29 S CB -0.172 63.049 63.200 0.035 0.000 0.773 29 S HN 0.207 nan 8.310 nan 0.000 0.507 30 L N -0.051 121.208 121.223 0.059 0.000 2.269 30 L HA 0.592 4.931 4.340 -0.001 0.000 0.200 30 L C 0.164 177.088 176.870 0.091 0.000 1.069 30 L CA 0.918 55.789 54.840 0.051 0.000 0.804 30 L CB 0.150 42.004 42.059 -0.343 0.000 0.987 30 L HN 0.507 nan 8.230 nan 0.000 0.468 31 L N -1.531 119.735 121.223 0.071 0.000 2.562 31 L HA 0.300 4.639 4.340 -0.001 0.000 0.266 31 L C 0.251 177.191 176.870 0.116 0.000 0.949 31 L CA -0.372 54.511 54.840 0.072 0.000 0.879 31 L CB 1.699 43.816 42.059 0.097 0.000 1.278 31 L HN -0.240 nan 8.230 nan 0.000 0.404 32 R N 0.201 120.654 120.500 -0.078 0.000 2.206 32 R HA 0.221 4.560 4.340 -0.001 0.000 0.198 32 R C 0.313 176.433 176.300 -0.300 0.000 0.986 32 R CA 0.648 56.608 56.100 -0.232 0.000 1.029 32 R CB -0.463 29.733 30.300 -0.174 0.000 0.966 32 R HN 0.723 nan 8.270 nan 0.000 0.487 33 H N 0.543 119.547 119.070 -0.110 0.000 2.799 33 H HA 0.239 4.795 4.556 -0.001 0.000 0.225 33 H C 0.668 176.025 175.328 0.048 0.000 1.904 33 H CA -0.264 55.743 56.048 -0.067 0.000 1.344 33 H CB -0.226 29.536 29.762 -0.001 0.000 1.744 33 H HN 0.531 nan 8.280 nan 0.000 0.542 34 H N 0.954 120.114 119.070 0.150 0.000 2.422 34 H HA -0.163 4.393 4.556 -0.001 0.000 0.298 34 H C 1.955 177.355 175.328 0.121 0.000 1.098 34 H CA 0.940 57.051 56.048 0.105 0.000 1.315 34 H CB 0.319 30.117 29.762 0.060 0.000 1.382 34 H HN 0.620 nan 8.280 nan 0.000 0.523 35 N N 1.192 120.022 118.700 0.217 0.000 2.550 35 N HA -0.107 4.632 4.740 -0.001 0.000 0.186 35 N C 1.259 176.874 175.510 0.176 0.000 1.110 35 N CA 0.758 53.907 53.050 0.165 0.000 0.912 35 N CB -0.242 38.303 38.487 0.097 0.000 0.968 35 N HN 0.447 nan 8.380 nan 0.000 0.448 36 M N -0.184 119.539 119.600 0.204 0.000 2.514 36 M HA 0.136 4.616 4.480 -0.001 0.000 0.258 36 M C -0.062 176.417 176.300 0.299 0.000 1.119 36 M CA 0.244 55.675 55.300 0.219 0.000 1.111 36 M CB 0.556 33.275 32.600 0.198 0.000 1.390 36 M HN -0.125 nan 8.290 nan 0.000 0.475 37 V N 1.264 121.358 119.914 0.300 0.000 2.427 37 V HA 0.332 4.452 4.120 -0.001 0.000 0.286 37 V C -0.787 175.559 176.094 0.421 0.000 1.034 37 V CA -0.726 61.760 62.300 0.310 0.000 0.893 37 V CB 0.653 32.633 31.823 0.263 0.000 0.982 37 V HN 0.319 nan 8.190 nan 0.000 0.452 38 Y N 2.487 122.951 120.300 0.274 0.000 2.597 38 Y HA 0.915 5.464 4.550 -0.001 0.000 0.340 38 Y C -0.426 175.590 175.900 0.192 0.000 1.097 38 Y CA -1.467 56.806 58.100 0.287 0.000 1.037 38 Y CB 1.499 40.081 38.460 0.203 0.000 1.305 38 Y HN 0.703 nan 8.280 nan 0.000 0.463 39 A N 1.444 124.362 122.820 0.164 0.000 2.337 39 A HA 0.684 5.004 4.320 -0.001 0.000 0.329 39 A C -0.057 177.624 177.584 0.162 0.000 1.146 39 A CA -0.356 51.581 52.037 -0.165 0.000 0.800 39 A CB 0.435 19.127 19.000 -0.512 0.000 1.220 39 A HN 1.078 nan 8.150 nan 0.000 0.472 40 T N -0.020 114.615 114.554 0.135 0.000 2.918 40 T HA 0.561 4.910 4.350 -0.001 0.000 0.302 40 T C 0.365 175.133 174.700 0.113 0.000 1.045 40 T CA 0.392 62.620 62.100 0.213 0.000 1.114 40 T CB 0.733 69.741 68.868 0.233 0.000 0.965 40 T HN 1.467 nan 8.240 nan 0.000 0.540 41 T N -2.099 112.522 114.554 0.111 0.000 2.812 41 T HA 0.473 4.822 4.350 -0.001 0.000 0.294 41 T C 1.365 176.099 174.700 0.056 0.000 1.159 41 T CA -0.241 61.905 62.100 0.076 0.000 1.008 41 T CB 1.174 70.092 68.868 0.084 0.000 1.289 41 T HN 0.778 nan 8.240 nan 0.000 0.514 42 S N 0.053 115.778 115.700 0.041 0.000 2.465 42 S HA -0.150 4.319 4.470 -0.001 0.000 0.241 42 S C 1.747 176.351 174.600 0.006 0.000 1.000 42 S CA 0.629 58.840 58.200 0.020 0.000 0.964 42 S CB -0.733 62.478 63.200 0.018 0.000 0.763 42 S HN 0.722 nan 8.310 nan 0.000 0.512 43 R N 1.418 121.929 120.500 0.019 0.000 2.193 43 R HA -0.025 4.315 4.340 -0.001 0.000 0.229 43 R C 2.131 178.428 176.300 -0.004 0.000 1.110 43 R CA 1.463 57.569 56.100 0.009 0.000 0.988 43 R CB -0.392 29.922 30.300 0.023 0.000 0.871 43 R HN 0.740 nan 8.270 nan 0.000 0.458 44 S N -0.997 114.705 115.700 0.004 0.000 2.540 44 S HA 0.247 4.717 4.470 -0.001 0.000 0.218 44 S C 1.738 176.319 174.600 -0.031 0.000 0.977 44 S CA 0.116 58.312 58.200 -0.008 0.000 0.918 44 S CB 0.955 64.164 63.200 0.016 0.000 0.806 44 S HN 0.253 nan 8.310 nan 0.000 0.496 45 A N 2.123 124.917 122.820 -0.044 0.000 1.978 45 A HA 0.182 4.501 4.320 -0.001 0.000 0.220 45 A C 2.243 179.733 177.584 -0.157 0.000 1.170 45 A CA 1.532 53.519 52.037 -0.084 0.000 0.636 45 A CB -1.630 17.320 19.000 -0.084 0.000 0.810 45 A HN 0.635 nan 8.150 nan 0.000 0.448 46 G N 0.056 108.763 108.800 -0.155 0.000 2.440 46 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 46 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 46 G C 1.536 176.343 174.900 -0.155 0.000 1.154 46 G CA 1.110 46.094 45.100 -0.194 0.000 0.767 46 G HN 0.459 nan 8.290 nan 0.000 0.552 47 L N -0.183 120.984 121.223 -0.093 0.000 2.046 47 L HA -0.073 4.266 4.340 -0.001 0.000 0.208 47 L C 2.905 179.746 176.870 -0.048 0.000 1.077 47 L CA 1.394 56.199 54.840 -0.058 0.000 0.747 47 L CB -0.371 41.666 42.059 -0.036 0.000 0.896 47 L HN 0.161 nan 8.230 nan 0.000 0.432 48 R N 0.548 121.015 120.500 -0.056 0.000 2.073 48 R HA -0.177 4.162 4.340 -0.001 0.000 0.234 48 R C 2.248 178.517 176.300 -0.052 0.000 1.134 48 R CA 1.644 57.726 56.100 -0.030 0.000 0.952 48 R CB -0.508 29.778 30.300 -0.024 0.000 0.850 48 R HN 0.352 nan 8.270 nan 0.000 0.433 49 Q N 0.085 119.774 119.800 -0.185 0.000 2.133 49 Q HA -0.235 4.104 4.340 -0.001 0.000 0.208 49 Q C 2.040 178.000 176.000 -0.066 0.000 0.991 49 Q CA 2.370 57.991 55.803 -0.303 0.000 0.867 49 Q CB -0.159 28.097 28.738 -0.804 0.000 0.911 49 Q HN 0.356 nan 8.270 nan 0.000 0.417 50 K N 0.523 120.892 120.400 -0.052 0.000 2.097 50 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 50 K C 1.991 178.674 176.600 0.139 0.000 1.049 50 K CA 1.114 57.431 56.287 0.050 0.000 0.933 50 K CB 0.026 32.535 32.500 0.015 0.000 0.717 50 K HN 0.087 nan 8.250 nan 0.000 0.442 51 K N 0.486 120.961 120.400 0.125 0.000 2.097 51 K HA -0.088 4.231 4.320 -0.001 0.000 0.205 51 K C 1.922 178.729 176.600 0.345 0.000 1.050 51 K CA 1.499 57.896 56.287 0.184 0.000 0.938 51 K CB 0.078 32.654 32.500 0.127 0.000 0.718 51 K HN 0.122 nan 8.250 nan 0.000 0.442 52 V N -1.736 118.364 119.914 0.309 0.000 3.649 52 V HA 0.078 4.197 4.120 -0.001 0.000 0.275 52 V C 0.356 176.595 176.094 0.241 0.000 1.281 52 V CA 0.088 62.606 62.300 0.363 0.000 1.143 52 V CB 0.108 32.103 31.823 0.286 0.000 0.892 52 V HN -0.053 nan 8.190 nan 0.000 0.441 53 T N 4.537 119.288 114.554 0.328 0.000 2.781 53 T HA 0.711 5.061 4.350 -0.001 0.000 0.305 53 T C -0.743 174.125 174.700 0.280 0.000 1.001 53 T CA -0.012 62.257 62.100 0.281 0.000 0.950 53 T CB 0.064 69.212 68.868 0.466 0.000 0.955 53 T HN 0.621 nan 8.240 nan 0.000 0.471 54 F N -0.223 119.834 119.950 0.178 0.000 2.773 54 F HA 0.659 5.186 4.527 -0.001 0.000 0.314 54 F C -1.115 174.736 175.800 0.086 0.000 1.160 54 F CA -1.714 56.355 58.000 0.115 0.000 0.920 54 F CB 0.726 39.784 39.000 0.096 0.000 1.323 54 F HN 0.174 nan 8.300 nan 0.000 0.457 55 D N 0.709 121.312 120.400 0.338 0.000 2.304 55 D HA 0.493 5.133 4.640 -0.001 0.000 0.250 55 D C -0.913 175.559 176.300 0.287 0.000 1.107 55 D CA -0.037 54.095 54.000 0.221 0.000 0.885 55 D CB 0.911 41.811 40.800 0.168 0.000 1.192 55 D HN 0.560 nan 8.370 nan 0.000 0.436 56 R N 2.523 123.137 120.500 0.192 0.000 2.445 56 R HA 0.520 4.859 4.340 -0.001 0.000 0.308 56 R C -0.877 175.447 176.300 0.039 0.000 0.961 56 R CA -0.702 55.486 56.100 0.147 0.000 0.862 56 R CB 1.030 31.386 30.300 0.092 0.000 1.144 56 R HN 0.316 nan 8.270 nan 0.000 0.447 57 L N 2.109 123.339 121.223 0.011 0.000 2.334 57 L HA 0.558 4.898 4.340 -0.001 0.000 0.273 57 L C -0.441 176.383 176.870 -0.076 0.000 1.013 57 L CA -0.468 54.335 54.840 -0.062 0.000 0.816 57 L CB 1.726 43.769 42.059 -0.028 0.000 1.278 57 L HN 0.627 nan 8.230 nan 0.000 0.431 58 Q N 1.297 121.025 119.800 -0.120 0.000 2.271 58 Q HA 0.615 4.954 4.340 -0.001 0.000 0.268 58 Q C -1.376 174.558 176.000 -0.110 0.000 1.021 58 Q CA -0.503 55.234 55.803 -0.109 0.000 0.802 58 Q CB 2.773 31.425 28.738 -0.142 0.000 1.282 58 Q HN 0.490 nan 8.270 nan 0.000 0.431 59 V N 2.264 122.130 119.914 -0.081 0.000 2.350 59 V HA 0.606 4.726 4.120 -0.001 0.000 0.285 59 V C -0.780 175.295 176.094 -0.031 0.000 1.014 59 V CA -0.759 61.498 62.300 -0.071 0.000 0.831 59 V CB 0.999 32.782 31.823 -0.067 0.000 1.000 59 V HN 0.659 nan 8.190 nan 0.000 0.433 60 L N 5.737 126.908 121.223 -0.086 0.000 2.280 60 L HA 0.611 4.950 4.340 -0.001 0.000 0.287 60 L C -0.038 176.842 176.870 0.017 0.000 1.023 60 L CA -0.455 54.303 54.840 -0.136 0.000 0.819 60 L CB 1.340 43.157 42.059 -0.403 0.000 1.212 60 L HN 0.875 nan 8.230 nan 0.000 0.420 61 D N 0.741 121.231 120.400 0.152 0.000 2.564 61 D HA 0.118 4.758 4.640 -0.001 0.000 0.273 61 D C 0.326 176.695 176.300 0.116 0.000 1.192 61 D CA -0.598 53.469 54.000 0.113 0.000 1.080 61 D CB 0.884 41.752 40.800 0.115 0.000 1.160 61 D HN 0.290 nan 8.370 nan 0.000 0.607 62 D N -1.236 119.171 120.400 0.011 0.000 2.144 62 D HA -0.146 4.494 4.640 -0.001 0.000 0.200 62 D C 1.802 178.103 176.300 0.001 0.000 0.978 62 D CA 1.020 55.003 54.000 -0.028 0.000 0.833 62 D CB -0.120 40.615 40.800 -0.108 0.000 0.961 62 D HN 0.415 nan 8.370 nan 0.000 0.470 63 H N -0.061 119.072 119.070 0.106 0.000 2.319 63 H HA -0.184 4.371 4.556 -0.001 0.000 0.297 63 H C 2.048 177.412 175.328 0.061 0.000 1.097 63 H CA 1.102 57.205 56.048 0.092 0.000 1.285 63 H CB -0.767 29.076 29.762 0.134 0.000 1.368 63 H HN 0.339 nan 8.280 nan 0.000 0.495 64 Y N 1.779 122.116 120.300 0.061 0.000 2.114 64 Y HA -0.224 4.325 4.550 -0.000 0.000 0.284 64 Y C 2.782 178.626 175.900 -0.093 0.000 1.143 64 Y CA 1.668 59.675 58.100 -0.156 0.000 1.135 64 Y CB -0.137 38.128 38.460 -0.326 0.000 0.980 64 Y HN -0.051 nan 8.280 nan 0.000 0.499 65 R N 0.117 120.675 120.500 0.096 0.000 2.096 65 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 65 R C 1.810 178.079 176.300 -0.052 0.000 1.127 65 R CA 1.531 57.633 56.100 0.004 0.000 0.968 65 R CB -0.355 29.986 30.300 0.069 0.000 0.861 65 R HN 0.426 nan 8.270 nan 0.000 0.440 66 D N 0.038 120.430 120.400 -0.013 0.000 2.104 66 D HA -0.135 4.504 4.640 -0.001 0.000 0.194 66 D C 1.960 178.238 176.300 -0.036 0.000 0.994 66 D CA 1.130 55.126 54.000 -0.007 0.000 0.830 66 D CB -0.265 40.559 40.800 0.041 0.000 0.959 66 D HN 0.004 nan 8.370 nan 0.000 0.452 67 V N 1.071 120.944 119.914 -0.069 0.000 2.295 67 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 67 V C 2.459 178.479 176.094 -0.123 0.000 1.049 67 V CA 1.056 63.300 62.300 -0.095 0.000 1.024 67 V CB -0.463 31.270 31.823 -0.149 0.000 0.648 67 V HN 0.137 nan 8.190 nan 0.000 0.447 68 L N 0.634 121.719 121.223 -0.231 0.000 2.042 68 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 68 L C 2.414 179.214 176.870 -0.118 0.000 1.076 68 L CA 2.336 57.040 54.840 -0.228 0.000 0.749 68 L CB -0.889 40.962 42.059 -0.347 0.000 0.893 68 L HN 0.303 nan 8.230 nan 0.000 0.432 69 K N -0.472 119.875 120.400 -0.088 0.000 2.063 69 K HA -0.222 4.098 4.320 -0.001 0.000 0.208 69 K C 1.947 178.527 176.600 -0.033 0.000 1.048 69 K CA 1.939 58.196 56.287 -0.049 0.000 0.928 69 K CB -0.140 32.341 32.500 -0.032 0.000 0.713 69 K HN 0.515 nan 8.250 nan 0.000 0.442 70 E N 0.103 120.288 120.200 -0.024 0.000 2.077 70 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 70 E C 2.085 178.684 176.600 -0.002 0.000 0.989 70 E CA 1.650 58.048 56.400 -0.003 0.000 0.800 70 E CB -0.076 29.633 29.700 0.015 0.000 0.746 70 E HN 0.364 nan 8.360 nan 0.000 0.452 71 M N 0.583 120.179 119.600 -0.006 0.000 2.117 71 M HA -0.172 4.307 4.480 -0.001 0.000 0.262 71 M C 2.123 178.400 176.300 -0.038 0.000 1.065 71 M CA 1.470 56.761 55.300 -0.014 0.000 1.114 71 M CB -0.149 32.444 32.600 -0.012 0.000 1.361 71 M HN -0.056 nan 8.290 nan 0.000 0.408 72 K N 0.360 120.734 120.400 -0.044 0.000 2.097 72 K HA -0.111 4.209 4.320 -0.001 0.000 0.206 72 K C 2.120 178.705 176.600 -0.026 0.000 1.049 72 K CA 1.424 57.688 56.287 -0.038 0.000 0.933 72 K CB -0.333 32.143 32.500 -0.040 0.000 0.717 72 K HN 0.311 nan 8.250 nan 0.000 0.442 73 A N 2.062 124.869 122.820 -0.021 0.000 1.883 73 A HA -0.229 4.091 4.320 -0.001 0.000 0.217 73 A C 1.939 179.513 177.584 -0.016 0.000 1.186 73 A CA 1.685 53.713 52.037 -0.014 0.000 0.624 73 A CB -0.321 18.674 19.000 -0.009 0.000 0.822 73 A HN 0.212 nan 8.150 nan 0.000 0.444 74 K N -0.453 119.934 120.400 -0.022 0.000 2.057 74 K HA -0.003 4.317 4.320 -0.001 0.000 0.206 74 K C 2.292 178.870 176.600 -0.037 0.000 1.050 74 K CA 1.044 57.312 56.287 -0.031 0.000 0.935 74 K CB -0.330 32.144 32.500 -0.043 0.000 0.715 74 K HN 0.429 nan 8.250 nan 0.000 0.439 75 A N 1.097 123.894 122.820 -0.038 0.000 1.972 75 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 75 A C 2.068 179.643 177.584 -0.015 0.000 1.169 75 A CA 1.709 53.728 52.037 -0.030 0.000 0.635 75 A CB -0.463 18.523 19.000 -0.024 0.000 0.810 75 A HN 0.170 nan 8.150 nan 0.000 0.446 76 S N -0.343 115.350 115.700 -0.013 0.000 2.507 76 S HA -0.095 4.375 4.470 -0.001 0.000 0.235 76 S C 1.921 176.517 174.600 -0.006 0.000 0.988 76 S CA 1.511 59.708 58.200 -0.005 0.000 0.944 76 S CB -0.488 62.709 63.200 -0.005 0.000 0.762 76 S HN 0.911 nan 8.310 nan 0.000 0.526 77 T N -0.846 113.701 114.554 -0.012 0.000 3.113 77 T HA 0.162 4.511 4.350 -0.001 0.000 0.256 77 T C 0.541 175.233 174.700 -0.014 0.000 1.131 77 T CA -0.041 62.051 62.100 -0.012 0.000 1.074 77 T CB -0.289 68.569 68.868 -0.016 0.000 0.944 77 T HN 0.032 nan 8.240 nan 0.000 0.516 78 V N 2.008 121.913 119.914 -0.016 0.000 2.530 78 V HA 0.363 4.483 4.120 -0.001 0.000 0.282 78 V C 0.149 176.240 176.094 -0.006 0.000 1.048 78 V CA -0.804 61.486 62.300 -0.018 0.000 0.997 78 V CB 1.160 32.968 31.823 -0.025 0.000 0.987 78 V HN 0.381 nan 8.190 nan 0.000 0.477 79 K N 3.867 124.264 120.400 -0.005 0.000 2.339 79 K HA 0.729 5.049 4.320 -0.001 0.000 0.264 79 K C -0.528 176.073 176.600 0.003 0.000 0.986 79 K CA -0.367 55.921 56.287 0.003 0.000 0.866 79 K CB 1.271 33.773 32.500 0.004 0.000 1.103 79 K HN 0.836 nan 8.250 nan 0.000 0.441 80 A N 4.145 126.971 122.820 0.009 0.000 2.340 80 A HA 0.510 4.830 4.320 -0.001 0.000 0.331 80 A C -1.089 176.509 177.584 0.024 0.000 1.140 80 A CA -0.903 51.141 52.037 0.011 0.000 0.801 80 A CB 0.836 19.838 19.000 0.004 0.000 1.234 80 A HN 0.848 nan 8.150 nan 0.000 0.469 81 K N 1.202 121.620 120.400 0.029 0.000 2.166 81 K HA 0.723 5.042 4.320 -0.001 0.000 0.245 81 K C -1.052 175.573 176.600 0.041 0.000 0.967 81 K CA -0.791 55.516 56.287 0.033 0.000 0.863 81 K CB 1.067 33.583 32.500 0.027 0.000 1.107 81 K HN 0.331 nan 8.250 nan 0.000 0.436 82 L N 2.463 123.705 121.223 0.031 0.000 2.380 82 L HA 0.199 4.539 4.340 -0.001 0.000 0.273 82 L C -0.657 176.198 176.870 -0.025 0.000 1.138 82 L CA -0.452 54.394 54.840 0.011 0.000 0.832 82 L CB 0.538 42.596 42.059 -0.003 0.000 1.124 82 L HN 0.607 nan 8.230 nan 0.000 0.454 83 L N 3.215 124.412 121.223 -0.044 0.000 2.397 83 L HA 0.283 4.623 4.340 -0.001 0.000 0.271 83 L C 0.694 177.469 176.870 -0.159 0.000 1.148 83 L CA 0.362 55.154 54.840 -0.080 0.000 0.825 83 L CB 0.976 42.986 42.059 -0.082 0.000 1.117 83 L HN 0.842 nan 8.230 nan 0.000 0.456 84 S N 1.923 117.538 115.700 -0.142 0.000 2.589 84 S HA 0.158 4.627 4.470 -0.001 0.000 0.265 84 S C 1.413 175.885 174.600 -0.214 0.000 1.342 84 S CA -0.593 57.504 58.200 -0.172 0.000 1.005 84 S CB 0.685 63.816 63.200 -0.115 0.000 0.909 84 S HN 0.347 nan 8.310 nan 0.000 0.555 85 V N 2.263 122.026 119.914 -0.252 0.000 2.282 85 V HA -0.204 3.916 4.120 -0.001 0.000 0.249 85 V C 3.318 179.298 176.094 -0.191 0.000 1.057 85 V CA 2.772 64.907 62.300 -0.274 0.000 1.032 85 V CB -2.218 29.396 31.823 -0.350 0.000 0.645 85 V HN 1.039 nan 8.190 nan 0.000 0.447 86 E N -0.121 119.993 120.200 -0.143 0.000 2.058 86 E HA -0.343 4.007 4.350 -0.001 0.000 0.194 86 E C 1.965 178.494 176.600 -0.118 0.000 0.997 86 E CA 1.797 58.130 56.400 -0.112 0.000 0.801 86 E CB -0.724 28.926 29.700 -0.083 0.000 0.746 86 E HN 0.822 nan 8.360 nan 0.000 0.450 87 E N -0.280 119.845 120.200 -0.125 0.000 2.077 87 E HA -0.005 4.344 4.350 -0.001 0.000 0.193 87 E C 2.474 178.963 176.600 -0.185 0.000 0.989 87 E CA 0.947 57.265 56.400 -0.138 0.000 0.800 87 E CB -0.189 29.438 29.700 -0.123 0.000 0.746 87 E HN 0.551 nan 8.360 nan 0.000 0.452 88 A N 0.601 123.308 122.820 -0.189 0.000 1.898 88 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 88 A C 2.407 179.888 177.584 -0.171 0.000 1.181 88 A CA 1.140 53.057 52.037 -0.200 0.000 0.620 88 A CB -0.854 18.041 19.000 -0.175 0.000 0.819 88 A HN 0.374 nan 8.150 nan 0.000 0.442 89 C N -0.159 119.053 119.300 -0.147 0.000 2.413 89 C HA -0.074 4.386 4.460 -0.001 0.000 0.276 89 C C 2.509 177.430 174.990 -0.115 0.000 1.248 89 C CA 1.270 60.217 59.018 -0.119 0.000 1.742 89 C CB -0.761 26.911 27.740 -0.114 0.000 2.017 89 C HN 0.473 nan 8.230 nan 0.000 0.481 90 K N 0.796 121.127 120.400 -0.116 0.000 2.439 90 K HA 0.108 4.427 4.320 -0.001 0.000 0.197 90 K C 1.405 177.952 176.600 -0.089 0.000 1.041 90 K CA 0.718 56.953 56.287 -0.088 0.000 0.970 90 K CB -0.391 32.066 32.500 -0.072 0.000 0.773 90 K HN 0.548 nan 8.250 nan 0.000 0.479 91 L N 0.839 121.963 121.223 -0.166 0.000 2.591 91 L HA 0.024 4.364 4.340 -0.001 0.000 0.228 91 L C 0.308 177.078 176.870 -0.166 0.000 1.133 91 L CA 0.167 54.871 54.840 -0.227 0.000 0.880 91 L CB -0.067 41.735 42.059 -0.429 0.000 1.033 91 L HN -0.109 nan 8.230 nan 0.000 0.450 92 T N 1.517 115.991 114.554 -0.133 0.000 2.817 92 T HA 0.233 4.583 4.350 -0.001 0.000 0.293 92 T C -2.341 172.233 174.700 -0.210 0.000 0.964 92 T CA -1.190 60.827 62.100 -0.139 0.000 1.085 92 T CB 1.139 69.939 68.868 -0.112 0.000 0.921 92 T HN -0.156 nan 8.240 nan 0.000 0.502 93 P HA 0.140 nan 4.420 nan 0.000 0.268 93 P C -1.905 175.107 177.300 -0.479 0.000 1.204 93 P CA -1.333 61.510 63.100 -0.428 0.000 0.768 93 P CB 0.195 31.780 31.700 -0.193 0.000 0.842 94 P HA -0.169 nan 4.420 nan 0.000 0.217 94 P C 0.323 177.262 177.300 -0.601 0.000 1.148 94 P CA 1.728 64.448 63.100 -0.633 0.000 0.828 94 P CB -0.195 31.052 31.700 -0.755 0.000 0.783 95 H N -2.431 116.513 119.070 -0.209 0.000 2.487 95 H HA 0.285 4.841 4.556 -0.001 0.000 0.290 95 H C 0.498 175.750 175.328 -0.127 0.000 1.081 95 H CA -0.360 55.607 56.048 -0.135 0.000 1.116 95 H CB -0.064 29.634 29.762 -0.107 0.000 1.560 95 H HN -0.020 nan 8.280 nan 0.000 0.548 96 S N 1.277 116.925 115.700 -0.088 0.000 2.568 96 S HA 0.322 4.792 4.470 -0.001 0.000 0.282 96 S C 0.759 175.316 174.600 -0.071 0.000 1.338 96 S CA -0.534 57.610 58.200 -0.095 0.000 1.045 96 S CB 0.210 63.347 63.200 -0.105 0.000 0.873 96 S HN 0.531 nan 8.310 nan 0.000 0.516 97 A N 4.767 127.528 122.820 -0.098 0.000 2.566 97 A HA 0.181 4.500 4.320 -0.001 0.000 0.245 97 A C 0.610 178.185 177.584 -0.016 0.000 1.056 97 A CA 0.023 52.030 52.037 -0.051 0.000 0.757 97 A CB -0.347 18.617 19.000 -0.060 0.000 0.979 97 A HN 0.859 nan 8.150 nan 0.000 0.508 98 K N 2.611 122.995 120.400 -0.027 0.000 2.380 98 K HA 0.259 4.579 4.320 -0.001 0.000 0.267 98 K C 0.403 176.929 176.600 -0.122 0.000 0.990 98 K CA 0.110 56.351 56.287 -0.077 0.000 0.946 98 K CB 0.329 32.780 32.500 -0.081 0.000 0.937 98 K HN 0.428 nan 8.250 nan 0.000 0.491 99 S N 0.557 116.080 115.700 -0.296 0.000 2.573 99 S HA 0.145 4.614 4.470 -0.001 0.000 0.277 99 S C 1.343 175.746 174.600 -0.329 0.000 1.346 99 S CA 0.223 58.205 58.200 -0.363 0.000 1.034 99 S CB 0.640 63.283 63.200 -0.927 0.000 0.879 99 S HN 0.711 nan 8.310 nan 0.000 0.528 100 K N 2.933 123.111 120.400 -0.370 0.000 2.486 100 K HA 0.151 4.470 4.320 -0.001 0.000 0.194 100 K C 0.615 176.762 176.600 -0.754 0.000 1.033 100 K CA 1.062 57.003 56.287 -0.578 0.000 1.004 100 K CB -0.665 31.391 32.500 -0.740 0.000 0.798 100 K HN 0.752 nan 8.250 nan 0.000 0.495 101 F N 0.105 119.877 119.950 -0.297 0.000 2.750 101 F HA 0.403 4.929 4.527 -0.001 0.000 0.297 101 F C 1.454 177.126 175.800 -0.215 0.000 1.138 101 F CA -0.232 57.591 58.000 -0.295 0.000 1.346 101 F CB 0.456 39.145 39.000 -0.518 0.000 0.965 101 F HN 0.246 nan 8.300 nan 0.000 0.514 102 G N 0.531 109.260 108.800 -0.118 0.000 2.142 102 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.225 102 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.225 102 G C -0.402 174.562 174.900 0.107 0.000 1.015 102 G CA 0.089 45.188 45.100 -0.002 0.000 0.716 102 G HN 0.556 nan 8.290 nan 0.000 0.508 103 Y N -2.643 117.657 120.300 0.001 0.000 2.638 103 Y HA 0.785 5.335 4.550 -0.001 0.000 0.335 103 Y C 0.378 176.282 175.900 0.008 0.000 1.155 103 Y CA -1.098 57.006 58.100 0.006 0.000 1.046 103 Y CB 0.598 39.069 38.460 0.017 0.000 1.303 103 Y HN 0.661 nan 8.280 nan 0.000 0.460 104 G N -0.162 108.723 108.800 0.143 0.000 3.108 104 G HA2 0.537 4.496 3.960 -0.001 0.000 0.268 104 G HA3 0.537 4.496 3.960 -0.001 0.000 0.268 104 G C 0.229 175.192 174.900 0.104 0.000 1.361 104 G CA -0.787 44.338 45.100 0.042 0.000 1.047 104 G HN 1.189 nan 8.290 nan 0.000 0.540 105 A N -0.430 122.398 122.820 0.012 0.000 1.972 105 A HA -0.008 4.312 4.320 -0.001 0.000 0.219 105 A C 2.232 179.776 177.584 -0.066 0.000 1.169 105 A CA 1.692 53.711 52.037 -0.030 0.000 0.635 105 A CB -0.306 18.631 19.000 -0.106 0.000 0.810 105 A HN 0.459 nan 8.150 nan 0.000 0.446 106 K N 0.177 120.532 120.400 -0.076 0.000 2.097 106 K HA -0.110 4.210 4.320 -0.001 0.000 0.205 106 K C 1.217 177.791 176.600 -0.043 0.000 1.050 106 K CA 1.305 57.538 56.287 -0.091 0.000 0.938 106 K CB -0.452 31.995 32.500 -0.088 0.000 0.718 106 K HN 0.501 nan 8.250 nan 0.000 0.442 107 D N 1.048 121.455 120.400 0.011 0.000 2.144 107 D HA -0.100 4.540 4.640 -0.001 0.000 0.200 107 D C 2.120 178.412 176.300 -0.013 0.000 0.978 107 D CA 0.743 54.755 54.000 0.020 0.000 0.833 107 D CB -0.106 40.749 40.800 0.092 0.000 0.961 107 D HN -0.094 nan 8.370 nan 0.000 0.470 108 V N 1.477 121.402 119.914 0.019 0.000 2.261 108 V HA -0.234 3.885 4.120 -0.001 0.000 0.246 108 V C 2.533 178.589 176.094 -0.063 0.000 1.047 108 V CA 1.579 63.865 62.300 -0.023 0.000 1.015 108 V CB -0.363 31.485 31.823 0.041 0.000 0.642 108 V HN 0.124 nan 8.190 nan 0.000 0.446 109 R N 0.337 120.793 120.500 -0.073 0.000 2.096 109 R HA -0.121 4.219 4.340 -0.001 0.000 0.235 109 R C 1.841 178.098 176.300 -0.073 0.000 1.127 109 R CA 1.469 57.515 56.100 -0.090 0.000 0.968 109 R CB -0.388 29.837 30.300 -0.126 0.000 0.861 109 R HN 0.510 nan 8.270 nan 0.000 0.440 110 N N 0.743 119.405 118.700 -0.064 0.000 2.461 110 N HA 0.044 4.784 4.740 -0.001 0.000 0.188 110 N C 0.184 175.663 175.510 -0.052 0.000 1.134 110 N CA 0.333 53.352 53.050 -0.052 0.000 0.878 110 N CB 0.168 38.629 38.487 -0.043 0.000 0.972 110 N HN 0.132 nan 8.380 nan 0.000 0.456 111 L N 0.614 121.799 121.223 -0.064 0.000 3.548 111 L HA -0.212 4.128 4.340 -0.001 0.000 0.443 111 L C 0.084 176.914 176.870 -0.066 0.000 1.286 111 L CA -0.078 54.719 54.840 -0.072 0.000 0.863 111 L CB -2.638 39.384 42.059 -0.062 0.000 1.734 111 L HN 0.130 nan 8.230 nan 0.000 0.873 112 S N -1.096 114.561 115.700 -0.071 0.000 2.562 112 S HA 0.294 4.764 4.470 -0.001 0.000 0.281 112 S C 1.522 176.076 174.600 -0.076 0.000 1.333 112 S CA -0.062 58.102 58.200 -0.061 0.000 1.052 112 S CB 1.809 64.981 63.200 -0.047 0.000 0.884 112 S HN 0.602 nan 8.310 nan 0.000 0.506 113 S N 2.941 118.613 115.700 -0.048 0.000 2.387 113 S HA -0.264 4.206 4.470 -0.001 0.000 0.230 113 S C 1.723 176.290 174.600 -0.054 0.000 1.035 113 S CA 1.458 59.635 58.200 -0.038 0.000 1.014 113 S CB -0.673 62.515 63.200 -0.020 0.000 0.836 113 S HN 0.864 nan 8.310 nan 0.000 0.466 114 K N 1.293 121.656 120.400 -0.063 0.000 2.026 114 K HA 0.000 4.320 4.320 -0.001 0.000 0.208 114 K C 2.403 178.855 176.600 -0.248 0.000 1.048 114 K CA 1.137 57.381 56.287 -0.072 0.000 0.929 114 K CB -0.670 31.826 32.500 -0.007 0.000 0.713 114 K HN 0.479 nan 8.250 nan 0.000 0.439 115 A N 0.651 123.210 122.820 -0.435 0.000 1.858 115 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 115 A C 2.252 179.549 177.584 -0.478 0.000 1.190 115 A CA 1.756 53.251 52.037 -0.904 0.000 0.617 115 A CB -0.771 17.861 19.000 -0.614 0.000 0.827 115 A HN 0.169 nan 8.150 nan 0.000 0.443 116 V N 1.144 120.911 119.914 -0.245 0.000 2.343 116 V HA -0.265 3.854 4.120 -0.001 0.000 0.247 116 V C 2.294 178.380 176.094 -0.013 0.000 1.051 116 V CA 2.128 64.345 62.300 -0.139 0.000 1.036 116 V CB -1.043 30.744 31.823 -0.060 0.000 0.654 116 V HN 0.555 nan 8.190 nan 0.000 0.451 117 N N -0.570 118.143 118.700 0.022 0.000 2.120 117 N HA -0.190 4.550 4.740 -0.001 0.000 0.188 117 N C 1.872 177.430 175.510 0.079 0.000 1.024 117 N CA 1.642 54.743 53.050 0.085 0.000 0.852 117 N CB -0.602 37.913 38.487 0.047 0.000 1.003 117 N HN 0.652 nan 8.380 nan 0.000 0.424 118 H N 0.938 119.965 119.070 -0.072 0.000 2.326 118 H HA 0.024 4.580 4.556 -0.001 0.000 0.301 118 H C 2.096 177.411 175.328 -0.021 0.000 1.081 118 H CA 1.101 57.128 56.048 -0.035 0.000 1.334 118 H CB 0.012 29.798 29.762 0.039 0.000 1.385 118 H HN 0.099 nan 8.280 nan 0.000 0.504 119 I N 0.363 120.840 120.570 -0.155 0.000 2.151 119 I HA -0.343 3.827 4.170 -0.001 0.000 0.243 119 I C 2.403 178.430 176.117 -0.151 0.000 1.080 119 I CA 1.752 62.941 61.300 -0.185 0.000 1.339 119 I CB -0.531 37.344 38.000 -0.207 0.000 1.039 119 I HN 0.350 nan 8.210 nan 0.000 0.409 120 H N 0.083 119.115 119.070 -0.064 0.000 2.353 120 H HA -0.189 4.367 4.556 -0.001 0.000 0.298 120 H C 2.548 177.887 175.328 0.019 0.000 1.103 120 H CA 2.010 58.056 56.048 -0.004 0.000 1.293 120 H CB -0.074 29.673 29.762 -0.025 0.000 1.372 120 H HN 0.431 nan 8.280 nan 0.000 0.501 121 S N -0.096 115.630 115.700 0.044 0.000 2.387 121 S HA -0.118 4.352 4.470 -0.001 0.000 0.226 121 S C 2.289 176.834 174.600 -0.092 0.000 1.026 121 S CA 1.082 59.267 58.200 -0.025 0.000 0.972 121 S CB -0.668 62.501 63.200 -0.052 0.000 0.814 121 S HN 0.164 nan 8.310 nan 0.000 0.477 122 V N 1.029 120.817 119.914 -0.210 0.000 2.332 122 V HA -0.157 3.963 4.120 -0.001 0.000 0.248 122 V C 2.254 178.332 176.094 -0.027 0.000 1.055 122 V CA 1.935 64.130 62.300 -0.175 0.000 1.038 122 V CB -1.123 30.560 31.823 -0.234 0.000 0.651 122 V HN 0.706 nan 8.190 nan 0.000 0.450 123 W N 1.196 122.423 121.300 -0.122 0.000 2.354 123 W HA -0.232 4.427 4.660 -0.001 0.000 0.315 123 W C 2.558 179.051 176.519 -0.044 0.000 1.206 123 W CA 2.289 59.591 57.345 -0.070 0.000 1.290 123 W CB -0.205 29.223 29.460 -0.053 0.000 1.152 123 W HN 0.214 nan 8.180 nan 0.000 0.489 124 K N 0.408 120.860 120.400 0.086 0.000 2.063 124 K HA -0.282 4.037 4.320 -0.001 0.000 0.208 124 K C 1.747 178.282 176.600 -0.109 0.000 1.048 124 K CA 2.314 58.591 56.287 -0.016 0.000 0.928 124 K CB -0.573 31.955 32.500 0.047 0.000 0.713 124 K HN 0.051 nan 8.250 nan 0.000 0.442 125 D N 0.189 120.529 120.400 -0.100 0.000 2.117 125 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 125 D C 1.953 178.157 176.300 -0.159 0.000 0.987 125 D CA 1.032 54.965 54.000 -0.111 0.000 0.829 125 D CB 0.046 40.787 40.800 -0.098 0.000 0.961 125 D HN 0.171 nan 8.370 nan 0.000 0.460 126 L N -0.035 121.053 121.223 -0.225 0.000 2.042 126 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 126 L C 2.510 179.186 176.870 -0.323 0.000 1.076 126 L CA 0.760 55.425 54.840 -0.291 0.000 0.749 126 L CB -0.405 41.413 42.059 -0.402 0.000 0.893 126 L HN 0.239 nan 8.230 nan 0.000 0.432 127 L N -0.814 120.174 121.223 -0.392 0.000 2.141 127 L HA -0.181 4.159 4.340 -0.001 0.000 0.209 127 L C 2.290 179.056 176.870 -0.173 0.000 1.094 127 L CA 1.240 55.897 54.840 -0.305 0.000 0.763 127 L CB -0.408 41.468 42.059 -0.305 0.000 0.908 127 L HN 0.311 nan 8.230 nan 0.000 0.437 128 E N -1.092 119.022 120.200 -0.142 0.000 2.250 128 E HA -0.059 4.290 4.350 -0.001 0.000 0.192 128 E C 0.203 176.755 176.600 -0.080 0.000 0.986 128 E CA 0.204 56.549 56.400 -0.091 0.000 0.849 128 E CB 0.400 30.057 29.700 -0.071 0.000 0.797 128 E HN 0.198 nan 8.360 nan 0.000 0.482 129 D N -0.064 120.279 120.400 -0.094 0.000 2.696 129 D HA 0.055 4.695 4.640 -0.001 0.000 0.251 129 D C -0.198 176.051 176.300 -0.085 0.000 1.188 129 D CA -0.316 53.639 54.000 -0.075 0.000 0.876 129 D CB 1.585 42.346 40.800 -0.065 0.000 1.334 129 D HN -0.049 nan 8.370 nan 0.000 0.540 130 T N 0.377 114.890 114.554 -0.068 0.000 3.182 130 T HA 0.228 4.578 4.350 -0.001 0.000 0.277 130 T C 1.150 175.820 174.700 -0.049 0.000 1.013 130 T CA 0.365 62.424 62.100 -0.068 0.000 0.900 130 T CB -0.240 68.592 68.868 -0.060 0.000 1.098 130 T HN 0.207 nan 8.240 nan 0.000 0.543 131 V N -2.886 117.004 119.914 -0.041 0.000 3.350 131 V HA 0.372 4.491 4.120 -0.001 0.000 0.246 131 V C 0.668 176.753 176.094 -0.015 0.000 1.363 131 V CA -0.050 62.235 62.300 -0.025 0.000 1.162 131 V CB -0.365 31.446 31.823 -0.020 0.000 0.947 131 V HN 0.293 nan 8.190 nan 0.000 0.454 132 T N 4.628 119.171 114.554 -0.019 0.000 2.799 132 T HA 0.378 4.728 4.350 -0.001 0.000 0.296 132 T C -2.502 172.197 174.700 -0.001 0.000 0.947 132 T CA -0.436 61.661 62.100 -0.005 0.000 1.141 132 T CB 0.786 69.649 68.868 -0.008 0.000 0.891 132 T HN 0.344 nan 8.240 nan 0.000 0.533 133 P HA 0.160 nan 4.420 nan 0.000 0.266 133 P C -0.234 177.067 177.300 0.002 0.000 1.195 133 P CA -0.147 62.968 63.100 0.025 0.000 0.768 133 P CB 0.372 32.132 31.700 0.100 0.000 0.838 134 I N 2.248 122.801 120.570 -0.028 0.000 2.396 134 I HA 0.154 4.323 4.170 -0.001 0.000 0.292 134 I C 0.923 177.025 176.117 -0.025 0.000 0.999 134 I CA -0.413 60.875 61.300 -0.020 0.000 1.310 134 I CB 0.781 38.758 38.000 -0.039 0.000 1.404 134 I HN 0.320 nan 8.210 nan 0.000 0.496 135 D N 4.202 124.604 120.400 0.003 0.000 2.362 135 D HA 0.261 4.901 4.640 -0.001 0.000 0.242 135 D C -0.395 175.875 176.300 -0.050 0.000 1.132 135 D CA 0.183 54.172 54.000 -0.019 0.000 0.907 135 D CB 0.890 41.696 40.800 0.010 0.000 1.195 135 D HN 0.619 nan 8.370 nan 0.000 0.429 136 T N -0.999 113.495 114.554 -0.099 0.000 2.896 136 T HA 0.589 4.938 4.350 -0.001 0.000 0.297 136 T C -0.434 174.119 174.700 -0.246 0.000 1.108 136 T CA -0.962 61.038 62.100 -0.166 0.000 1.004 136 T CB 1.460 70.253 68.868 -0.126 0.000 1.159 136 T HN 0.213 nan 8.240 nan 0.000 0.499 137 T N 2.251 116.508 114.554 -0.495 0.000 2.829 137 T HA 0.585 4.934 4.350 -0.001 0.000 0.282 137 T C -0.346 174.108 174.700 -0.410 0.000 0.990 137 T CA -0.593 61.188 62.100 -0.533 0.000 1.028 137 T CB 0.697 69.031 68.868 -0.890 0.000 0.951 137 T HN 0.715 nan 8.240 nan 0.000 0.460 138 I N 4.143 124.628 120.570 -0.141 0.000 2.404 138 I HA 0.520 4.690 4.170 -0.001 0.000 0.293 138 I C -0.983 175.169 176.117 0.060 0.000 0.992 138 I CA -0.813 60.492 61.300 0.010 0.000 1.149 138 I CB 0.694 38.748 38.000 0.089 0.000 1.315 138 I HN 0.408 nan 8.210 nan 0.000 0.446 139 M N 6.389 126.073 119.600 0.140 0.000 2.572 139 M HA 0.473 4.953 4.480 -0.001 0.000 0.299 139 M C -0.480 175.888 176.300 0.113 0.000 1.205 139 M CA -0.631 54.753 55.300 0.141 0.000 0.876 139 M CB 1.794 34.527 32.600 0.221 0.000 1.728 139 M HN 0.595 nan 8.290 nan 0.000 0.458 140 A N 2.491 125.356 122.820 0.076 0.000 2.404 140 A HA 0.358 4.677 4.320 -0.001 0.000 0.273 140 A C 0.092 177.717 177.584 0.069 0.000 1.144 140 A CA -0.291 51.783 52.037 0.063 0.000 0.806 140 A CB -0.006 19.018 19.000 0.040 0.000 1.080 140 A HN 0.732 nan 8.150 nan 0.000 0.509 141 K N 2.331 122.775 120.400 0.073 0.000 2.401 141 K HA 0.044 4.364 4.320 -0.001 0.000 0.278 141 K C -0.544 176.074 176.600 0.031 0.000 1.018 141 K CA 0.253 56.571 56.287 0.051 0.000 0.981 141 K CB 0.412 32.950 32.500 0.063 0.000 0.933 141 K HN 0.769 nan 8.250 nan 0.000 0.477 142 N N 3.018 121.707 118.700 -0.017 0.000 2.500 142 N HA 0.089 4.829 4.740 -0.001 0.000 0.236 142 N C -1.132 174.271 175.510 -0.177 0.000 1.022 142 N CA -0.262 52.744 53.050 -0.073 0.000 0.935 142 N CB 0.905 39.342 38.487 -0.083 0.000 1.147 142 N HN 0.382 nan 8.380 nan 0.000 0.512 143 E N 1.008 121.102 120.200 -0.176 0.000 2.288 143 E HA 0.404 4.754 4.350 -0.001 0.000 0.268 143 E C -0.905 175.321 176.600 -0.623 0.000 0.885 143 E CA -0.964 55.216 56.400 -0.366 0.000 0.767 143 E CB 2.557 32.131 29.700 -0.211 0.000 1.220 143 E HN 0.104 nan 8.360 nan 0.000 0.427 144 V N 3.445 122.818 119.914 -0.901 0.000 2.439 144 V HA 0.437 4.556 4.120 -0.001 0.000 0.282 144 V C -0.761 174.672 176.094 -1.102 0.000 1.039 144 V CA -0.187 61.597 62.300 -0.860 0.000 0.913 144 V CB 0.023 31.450 31.823 -0.659 0.000 0.983 144 V HN 0.505 nan 8.190 nan 0.000 0.460 145 F N 2.403 122.010 119.950 -0.573 0.000 2.650 145 F HA 0.582 5.109 4.527 -0.000 0.000 0.320 145 F C 0.157 175.790 175.800 -0.280 0.000 1.091 145 F CA -0.769 56.977 58.000 -0.423 0.000 0.962 145 F CB 1.286 40.036 39.000 -0.418 0.000 1.363 145 F HN 0.494 nan 8.300 nan 0.000 0.482 146 C N 2.876 122.282 119.300 0.177 0.000 2.388 146 C HA 0.737 5.196 4.460 -0.001 0.000 0.362 146 C C 0.161 175.377 174.990 0.377 0.000 1.266 146 C CA -0.767 58.391 59.018 0.234 0.000 2.028 146 C CB -0.254 27.576 27.740 0.150 0.000 2.440 146 C HN 0.708 nan 8.230 nan 0.000 0.547 147 V N 3.893 124.060 119.914 0.422 0.000 2.694 147 V HA 0.485 4.605 4.120 -0.001 0.000 0.306 147 V C 0.072 176.264 176.094 0.162 0.000 1.054 147 V CA 0.762 63.236 62.300 0.291 0.000 1.161 147 V CB -0.110 31.794 31.823 0.135 0.000 0.916 147 V HN 1.214 nan 8.190 nan 0.000 0.490 148 Q N 4.141 124.005 119.800 0.106 0.000 2.456 148 Q HA 0.545 4.885 4.340 -0.001 0.000 0.252 148 Q C -1.813 174.201 176.000 0.024 0.000 1.042 148 Q CA -1.370 54.468 55.803 0.058 0.000 0.766 148 Q CB 0.798 29.562 28.738 0.044 0.000 1.196 148 Q HN 0.844 nan 8.270 nan 0.000 0.504 149 P HA -0.088 nan 4.420 nan 0.000 0.217 149 P C 0.841 178.140 177.300 -0.002 0.000 1.148 149 P CA 1.799 64.902 63.100 0.004 0.000 0.828 149 P CB 0.153 31.857 31.700 0.006 0.000 0.783 154 R N 0.972 121.358 120.500 -0.190 0.000 2.637 154 R HA 0.568 4.907 4.340 -0.001 0.000 0.291 154 R C -0.855 175.383 176.300 -0.104 0.000 0.963 154 R CA -0.694 55.222 56.100 -0.305 0.000 0.901 154 R CB 2.183 32.120 30.300 -0.605 0.000 1.160 154 R HN 0.052 nan 8.270 nan 0.000 0.457 155 K N 2.717 123.126 120.400 0.016 0.000 2.298 155 K HA 0.213 4.532 4.320 -0.001 0.000 0.280 155 K C -2.202 174.412 176.600 0.025 0.000 1.032 155 K CA -1.496 54.766 56.287 -0.042 0.000 0.958 155 K CB 0.449 32.795 32.500 -0.256 0.000 0.978 155 K HN 0.246 nan 8.250 nan 0.000 0.472 156 P HA 0.020 nan 4.420 nan 0.000 0.272 156 P C -0.958 176.371 177.300 0.049 0.000 1.223 156 P CA -0.406 62.708 63.100 0.023 0.000 0.784 156 P CB 0.682 32.382 31.700 0.001 0.000 0.923 157 A N 3.509 126.372 122.820 0.071 0.000 2.565 157 A HA 0.026 4.346 4.320 -0.001 0.000 0.237 157 A C 0.579 178.208 177.584 0.075 0.000 1.053 157 A CA 0.147 52.238 52.037 0.090 0.000 0.755 157 A CB -0.321 18.722 19.000 0.072 0.000 0.980 157 A HN 0.447 nan 8.150 nan 0.000 0.506 158 R N 0.578 121.140 120.500 0.103 0.000 2.615 158 R HA 0.358 4.698 4.340 -0.001 0.000 0.270 158 R C -0.871 175.488 176.300 0.099 0.000 1.081 158 R CA -0.645 55.518 56.100 0.105 0.000 1.154 158 R CB 0.279 30.658 30.300 0.132 0.000 1.063 158 R HN 0.497 nan 8.270 nan 0.000 0.519 159 L N 2.333 123.621 121.223 0.108 0.000 2.322 159 L HA 0.442 4.782 4.340 -0.001 0.000 0.279 159 L C -0.228 176.735 176.870 0.154 0.000 1.036 159 L CA -0.537 54.372 54.840 0.115 0.000 0.807 159 L CB 1.173 43.293 42.059 0.101 0.000 1.226 159 L HN 0.486 nan 8.230 nan 0.000 0.433 160 I N 2.544 123.220 120.570 0.177 0.000 2.433 160 I HA 0.606 4.775 4.170 -0.001 0.000 0.292 160 I C -1.020 175.271 176.117 0.291 0.000 1.001 160 I CA -0.306 61.133 61.300 0.231 0.000 1.119 160 I CB 1.769 39.901 38.000 0.221 0.000 1.289 160 I HN 0.211 nan 8.210 nan 0.000 0.438 161 V N 8.732 128.817 119.914 0.285 0.000 2.483 161 V HA 0.574 4.693 4.120 -0.001 0.000 0.297 161 V C -0.873 175.383 176.094 0.271 0.000 1.027 161 V CA -0.472 61.949 62.300 0.202 0.000 0.855 161 V CB 1.123 33.044 31.823 0.163 0.000 0.995 161 V HN 0.587 nan 8.190 nan 0.000 0.424 162 F N 5.182 125.177 119.950 0.075 0.000 2.591 162 F HA 0.952 5.479 4.527 -0.001 0.000 0.309 162 F C -3.054 172.785 175.800 0.066 0.000 1.098 162 F CA -2.740 55.305 58.000 0.074 0.000 0.937 162 F CB 1.747 40.786 39.000 0.064 0.000 1.250 162 F HN 0.295 nan 8.300 nan 0.000 0.447 163 P HA 0.204 nan 4.420 nan 0.000 0.281 163 P C -1.051 176.371 177.300 0.202 0.000 1.281 163 P CA -0.182 62.982 63.100 0.106 0.000 0.811 163 P CB 1.183 32.952 31.700 0.116 0.000 1.154 164 D N -0.892 119.610 120.400 0.170 0.000 2.378 164 D HA -0.046 4.593 4.640 -0.001 0.000 0.238 164 D C 1.350 177.788 176.300 0.230 0.000 1.180 164 D CA -0.276 53.854 54.000 0.217 0.000 0.895 164 D CB 0.273 41.254 40.800 0.303 0.000 1.192 164 D HN 0.100 nan 8.370 nan 0.000 0.438 165 L N 3.204 124.546 121.223 0.199 0.000 2.043 165 L HA -0.030 4.310 4.340 -0.001 0.000 0.212 165 L C 2.051 179.068 176.870 0.245 0.000 1.075 165 L CA 2.597 57.545 54.840 0.179 0.000 0.752 165 L CB -1.092 41.030 42.059 0.105 0.000 0.891 165 L HN 0.667 nan 8.230 nan 0.000 0.432 166 G N -1.275 107.737 108.800 0.354 0.000 2.440 166 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.218 166 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.218 166 G C 1.543 176.540 174.900 0.162 0.000 1.154 166 G CA 1.111 46.414 45.100 0.338 0.000 0.767 166 G HN 0.357 nan 8.290 nan 0.000 0.552 167 V N 0.810 120.819 119.914 0.159 0.000 2.343 167 V HA -0.174 3.946 4.120 -0.001 0.000 0.247 167 V C 2.934 179.106 176.094 0.129 0.000 1.051 167 V CA 1.977 64.346 62.300 0.115 0.000 1.036 167 V CB -0.473 31.412 31.823 0.103 0.000 0.654 167 V HN 0.339 nan 8.190 nan 0.000 0.451 168 R N -0.293 120.294 120.500 0.144 0.000 2.105 168 R HA -0.125 4.214 4.340 -0.001 0.000 0.239 168 R C 2.195 178.552 176.300 0.095 0.000 1.135 168 R CA 1.469 57.646 56.100 0.130 0.000 0.967 168 R CB -0.609 29.764 30.300 0.121 0.000 0.861 168 R HN 0.438 nan 8.270 nan 0.000 0.442 169 V N 0.348 120.311 119.914 0.082 0.000 2.358 169 V HA -0.269 3.850 4.120 -0.001 0.000 0.246 169 V C 2.501 178.617 176.094 0.036 0.000 1.047 169 V CA 1.460 63.777 62.300 0.028 0.000 1.035 169 V CB -0.471 31.354 31.823 0.004 0.000 0.658 169 V HN 0.437 nan 8.190 nan 0.000 0.452 170 C N -0.037 119.325 119.300 0.103 0.000 2.425 170 C HA -0.154 4.306 4.460 -0.001 0.000 0.277 170 C C 2.689 177.836 174.990 0.260 0.000 1.280 170 C CA 0.975 60.132 59.018 0.232 0.000 1.744 170 C CB -0.977 26.939 27.740 0.294 0.000 1.989 170 C HN 0.619 nan 8.230 nan 0.000 0.491 171 E N 0.808 121.121 120.200 0.188 0.000 2.058 171 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 171 E C 2.160 178.867 176.600 0.179 0.000 0.997 171 E CA 1.331 57.852 56.400 0.202 0.000 0.801 171 E CB -0.154 29.674 29.700 0.213 0.000 0.746 171 E HN 0.639 nan 8.360 nan 0.000 0.450 172 K N 0.327 120.801 120.400 0.124 0.000 2.032 172 K HA -0.127 4.193 4.320 -0.001 0.000 0.209 172 K C 2.211 178.860 176.600 0.080 0.000 1.048 172 K CA 1.421 57.767 56.287 0.100 0.000 0.927 172 K CB -0.142 32.342 32.500 -0.027 0.000 0.712 172 K HN 0.109 nan 8.250 nan 0.000 0.441 173 M N 0.294 119.902 119.600 0.014 0.000 2.080 173 M HA -0.206 4.274 4.480 -0.001 0.000 0.260 173 M C 2.418 178.750 176.300 0.052 0.000 1.068 173 M CA 1.839 57.090 55.300 -0.081 0.000 1.109 173 M CB -0.348 32.035 32.600 -0.360 0.000 1.342 173 M HN 0.272 nan 8.290 nan 0.000 0.405 174 A N -0.694 122.267 122.820 0.235 0.000 1.930 174 A HA 0.028 4.347 4.320 -0.001 0.000 0.215 174 A C 1.832 179.507 177.584 0.151 0.000 1.176 174 A CA 1.177 53.392 52.037 0.298 0.000 0.632 174 A CB -0.154 19.058 19.000 0.352 0.000 0.819 174 A HN 0.509 nan 8.150 nan 0.000 0.445 175 L N -3.509 117.788 121.223 0.125 0.000 3.128 175 L HA 0.188 4.527 4.340 -0.001 0.000 0.277 175 L C 1.858 178.759 176.870 0.051 0.000 1.171 175 L CA 0.030 54.889 54.840 0.031 0.000 1.008 175 L CB 0.035 42.087 42.059 -0.012 0.000 1.442 175 L HN 0.417 nan 8.230 nan 0.000 0.584 176 Y N 1.648 121.955 120.300 0.012 0.000 2.114 176 Y HA -0.360 4.190 4.550 -0.001 0.000 0.282 176 Y C 2.228 178.154 175.900 0.043 0.000 1.165 176 Y CA 2.401 60.524 58.100 0.039 0.000 1.148 176 Y CB 0.057 38.528 38.460 0.019 0.000 0.972 176 Y HN 0.230 nan 8.280 nan 0.000 0.504 177 D N -0.840 119.610 120.400 0.083 0.000 2.144 177 D HA -0.161 4.479 4.640 -0.001 0.000 0.200 177 D C 2.222 178.467 176.300 -0.091 0.000 0.978 177 D CA 1.379 55.373 54.000 -0.009 0.000 0.833 177 D CB -0.223 40.614 40.800 0.061 0.000 0.961 177 D HN 0.258 nan 8.370 nan 0.000 0.470 178 V N 0.463 120.323 119.914 -0.089 0.000 2.255 178 V HA -0.238 3.882 4.120 -0.001 0.000 0.247 178 V C 2.686 178.666 176.094 -0.191 0.000 1.051 178 V CA 1.886 64.104 62.300 -0.136 0.000 1.018 178 V CB -0.682 31.025 31.823 -0.193 0.000 0.641 178 V HN 0.341 nan 8.190 nan 0.000 0.445 179 V N -2.798 116.982 119.914 -0.224 0.000 2.970 179 V HA -0.073 4.046 4.120 -0.001 0.000 0.260 179 V C 2.052 177.985 176.094 -0.269 0.000 1.100 179 V CA 1.988 64.146 62.300 -0.236 0.000 1.122 179 V CB -0.357 31.349 31.823 -0.195 0.000 0.721 179 V HN 0.445 nan 8.190 nan 0.000 0.483 180 S N 1.000 116.534 115.700 -0.276 0.000 2.470 180 S HA -0.029 4.440 4.470 -0.001 0.000 0.225 180 S C 1.889 176.385 174.600 -0.172 0.000 1.006 180 S CA 1.471 59.524 58.200 -0.245 0.000 0.934 180 S CB -0.022 62.982 63.200 -0.326 0.000 0.778 180 S HN 0.953 nan 8.310 nan 0.000 0.517 181 T N -1.080 113.371 114.554 -0.172 0.000 2.989 181 T HA 0.295 4.645 4.350 -0.001 0.000 0.250 181 T C 1.641 176.235 174.700 -0.176 0.000 0.981 181 T CA -0.196 61.821 62.100 -0.139 0.000 0.980 181 T CB -0.546 68.271 68.868 -0.086 0.000 1.133 181 T HN 0.214 nan 8.240 nan 0.000 0.489 182 L N 1.931 123.047 121.223 -0.179 0.000 2.017 182 L HA 0.103 4.442 4.340 -0.001 0.000 0.208 182 L C -0.880 175.825 176.870 -0.276 0.000 1.073 182 L CA 1.442 56.182 54.840 -0.166 0.000 0.745 182 L CB -0.824 41.186 42.059 -0.082 0.000 0.894 182 L HN 0.150 nan 8.230 nan 0.000 0.432 183 P HA -0.224 nan 4.420 nan 0.000 0.215 183 P C 1.354 178.204 177.300 -0.749 0.000 1.153 183 P CA 1.259 63.925 63.100 -0.723 0.000 0.853 183 P CB -0.147 30.783 31.700 -1.283 0.000 0.788 184 Q N -0.002 119.408 119.800 -0.651 0.000 2.167 184 Q HA -0.093 4.247 4.340 -0.001 0.000 0.202 184 Q C 1.940 177.808 176.000 -0.221 0.000 0.970 184 Q CA 1.382 56.991 55.803 -0.323 0.000 0.855 184 Q CB -0.669 27.977 28.738 -0.154 0.000 0.911 184 Q HN 0.080 nan 8.270 nan 0.000 0.438 185 V N 0.109 119.900 119.914 -0.205 0.000 2.358 185 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 185 V C 2.506 178.510 176.094 -0.151 0.000 1.047 185 V CA 1.425 63.641 62.300 -0.140 0.000 1.035 185 V CB -0.447 31.311 31.823 -0.107 0.000 0.658 185 V HN 0.129 nan 8.190 nan 0.000 0.452 186 V N -0.744 119.047 119.914 -0.205 0.000 2.379 186 V HA -0.179 3.941 4.120 -0.001 0.000 0.245 186 V C 2.048 177.968 176.094 -0.291 0.000 1.044 186 V CA 2.106 64.280 62.300 -0.210 0.000 1.036 186 V CB -0.402 31.288 31.823 -0.221 0.000 0.664 186 V HN 0.471 nan 8.190 nan 0.000 0.453 187 M N -1.278 118.086 119.600 -0.394 0.000 2.382 187 M HA 0.357 4.836 4.480 -0.001 0.000 0.247 187 M C 1.466 177.634 176.300 -0.219 0.000 1.104 187 M CA 0.728 55.718 55.300 -0.516 0.000 1.030 187 M CB 0.476 32.653 32.600 -0.704 0.000 1.424 187 M HN 0.456 nan 8.290 nan 0.000 0.486 188 G N 1.652 110.360 108.800 -0.154 0.000 2.634 188 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.309 188 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.309 188 G C 0.849 175.695 174.900 -0.090 0.000 1.265 188 G CA 0.896 45.948 45.100 -0.080 0.000 0.998 188 G HN 0.527 nan 8.290 nan 0.000 0.551 189 S N -0.700 114.970 115.700 -0.050 0.000 2.481 189 S HA 0.113 4.582 4.470 -0.001 0.000 0.231 189 S C 2.205 176.603 174.600 -0.336 0.000 0.996 189 S CA 1.771 59.878 58.200 -0.155 0.000 0.942 189 S CB -0.024 63.177 63.200 0.002 0.000 0.768 189 S HN 0.958 nan 8.310 nan 0.000 0.520 190 S N 0.457 116.102 115.700 -0.091 0.000 2.474 190 S HA 0.060 4.529 4.470 -0.001 0.000 0.235 190 S C 0.238 174.804 174.600 -0.058 0.000 0.997 190 S CA 0.151 58.353 58.200 0.004 0.000 0.949 190 S CB -0.449 62.872 63.200 0.201 0.000 0.766 190 S HN 0.709 nan 8.310 nan 0.000 0.517 191 Y N 2.812 122.933 120.300 -0.299 0.000 2.539 191 Y HA 0.462 5.011 4.550 -0.001 0.000 0.352 191 Y C 1.249 176.876 175.900 -0.454 0.000 1.004 191 Y CA -1.476 56.422 58.100 -0.336 0.000 1.278 191 Y CB 0.017 38.286 38.460 -0.318 0.000 1.136 191 Y HN 0.042 nan 8.280 nan 0.000 0.528 192 G N 4.472 112.793 108.800 -0.798 0.000 2.422 192 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.218 192 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.218 192 G C 1.085 175.389 174.900 -0.994 0.000 1.140 192 G CA 0.342 44.983 45.100 -0.765 0.000 0.775 192 G HN 0.642 nan 8.290 nan 0.000 0.545 193 F N 1.382 120.558 119.950 -1.289 0.000 2.604 193 F HA 0.033 4.559 4.527 -0.001 0.000 0.298 193 F C 2.849 178.374 175.800 -0.457 0.000 1.131 193 F CA 0.892 58.272 58.000 -1.032 0.000 1.457 193 F CB -0.146 38.258 39.000 -0.994 0.000 1.095 193 F HN 0.366 nan 8.300 nan 0.000 0.574 194 Q N -0.622 118.898 119.800 -0.466 0.000 2.488 194 Q HA -0.109 4.230 4.340 -0.001 0.000 0.211 194 Q C -0.624 175.274 176.000 -0.169 0.000 0.967 194 Q CA 0.832 56.492 55.803 -0.239 0.000 0.926 194 Q CB -0.352 28.170 28.738 -0.359 0.000 0.992 194 Q HN 0.278 nan 8.270 nan 0.000 0.506 195 Y N 1.825 122.155 120.300 0.050 0.000 2.341 195 Y HA 0.296 4.846 4.550 -0.001 0.000 0.337 195 Y C 0.575 176.400 175.900 -0.124 0.000 1.014 195 Y CA -1.614 56.466 58.100 -0.033 0.000 1.111 195 Y CB 1.503 39.897 38.460 -0.110 0.000 1.194 195 Y HN 0.107 nan 8.280 nan 0.000 0.462 196 S N 2.969 118.479 115.700 -0.317 0.000 2.596 196 S HA 0.148 4.617 4.470 -0.001 0.000 0.260 196 S C -1.928 172.373 174.600 -0.498 0.000 1.336 196 S CA -0.894 56.639 58.200 -1.112 0.000 0.993 196 S CB 0.911 63.564 63.200 -0.911 0.000 0.923 196 S HN 0.441 nan 8.310 nan 0.000 0.567 197 P HA -0.009 nan 4.420 nan 0.000 0.216 197 P C 1.729 178.959 177.300 -0.117 0.000 1.153 197 P CA 1.746 64.727 63.100 -0.198 0.000 0.858 197 P CB -0.560 31.052 31.700 -0.146 0.000 0.789 198 G N -0.304 108.411 108.800 -0.143 0.000 2.418 198 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.217 198 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.217 198 G C 1.521 176.366 174.900 -0.092 0.000 1.158 198 G CA 0.600 45.660 45.100 -0.068 0.000 0.771 198 G HN 0.316 nan 8.290 nan 0.000 0.545 199 Q N -0.524 119.200 119.800 -0.126 0.000 2.167 199 Q HA 0.021 4.360 4.340 -0.001 0.000 0.202 199 Q C 2.573 178.389 176.000 -0.307 0.000 0.970 199 Q CA 0.804 56.528 55.803 -0.132 0.000 0.855 199 Q CB -0.115 28.634 28.738 0.018 0.000 0.911 199 Q HN 0.462 nan 8.270 nan 0.000 0.438 200 R N 0.426 120.797 120.500 -0.215 0.000 2.073 200 R HA -0.136 4.204 4.340 -0.001 0.000 0.234 200 R C 2.078 178.285 176.300 -0.155 0.000 1.134 200 R CA 1.240 57.209 56.100 -0.219 0.000 0.952 200 R CB -0.158 30.118 30.300 -0.040 0.000 0.850 200 R HN 0.097 nan 8.270 nan 0.000 0.433 201 V N 1.369 121.218 119.914 -0.109 0.000 2.343 201 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 201 V C 2.370 178.385 176.094 -0.132 0.000 1.051 201 V CA 2.249 64.490 62.300 -0.099 0.000 1.036 201 V CB -0.551 31.251 31.823 -0.035 0.000 0.654 201 V HN 0.499 nan 8.190 nan 0.000 0.451 202 E N -0.462 119.670 120.200 -0.114 0.000 2.051 202 E HA -0.274 4.076 4.350 -0.001 0.000 0.192 202 E C 2.135 178.659 176.600 -0.127 0.000 0.991 202 E CA 1.674 58.011 56.400 -0.105 0.000 0.799 202 E CB -0.221 29.436 29.700 -0.072 0.000 0.748 202 E HN 0.550 nan 8.360 nan 0.000 0.449 203 F N 1.193 120.940 119.950 -0.338 0.000 2.134 203 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 203 F C 1.895 177.568 175.800 -0.211 0.000 1.097 203 F CA 1.339 59.136 58.000 -0.339 0.000 1.264 203 F CB -0.196 38.413 39.000 -0.652 0.000 1.001 203 F HN 0.007 nan 8.300 nan 0.000 0.479 204 L N -0.896 120.157 121.223 -0.282 0.000 2.056 204 L HA -0.193 4.146 4.340 -0.001 0.000 0.207 204 L C 2.376 179.083 176.870 -0.272 0.000 1.078 204 L CA 0.889 55.551 54.840 -0.297 0.000 0.749 204 L CB -0.776 41.175 42.059 -0.180 0.000 0.901 204 L HN -0.006 nan 8.230 nan 0.000 0.433 205 V N 0.105 119.851 119.914 -0.281 0.000 2.261 205 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 205 V C 2.218 178.200 176.094 -0.187 0.000 1.047 205 V CA 1.901 64.024 62.300 -0.295 0.000 1.015 205 V CB -0.662 30.907 31.823 -0.423 0.000 0.642 205 V HN 0.480 nan 8.190 nan 0.000 0.446 206 N N 0.067 118.645 118.700 -0.202 0.000 2.166 206 N HA -0.138 4.602 4.740 -0.001 0.000 0.186 206 N C 1.894 177.288 175.510 -0.194 0.000 1.019 206 N CA 1.923 54.875 53.050 -0.162 0.000 0.856 206 N CB -0.678 37.730 38.487 -0.130 0.000 0.993 206 N HN 0.473 nan 8.380 nan 0.000 0.426 207 T N 0.420 114.772 114.554 -0.337 0.000 2.708 207 T HA -0.146 4.204 4.350 -0.001 0.000 0.266 207 T C 1.499 176.112 174.700 -0.145 0.000 1.037 207 T CA 0.685 62.587 62.100 -0.330 0.000 1.146 207 T CB -0.285 68.240 68.868 -0.571 0.000 0.865 207 T HN 0.426 nan 8.240 nan 0.000 0.435 208 W N 2.351 123.486 121.300 -0.275 0.000 2.342 208 W HA -0.096 4.564 4.660 -0.001 0.000 0.297 208 W C 1.712 178.141 176.519 -0.150 0.000 1.213 208 W CA 1.186 58.412 57.345 -0.198 0.000 1.251 208 W CB -0.121 29.214 29.460 -0.207 0.000 1.136 208 W HN 0.259 nan 8.180 nan 0.000 0.526 209 K N 0.122 120.536 120.400 0.022 0.000 2.366 209 K HA -0.088 4.232 4.320 -0.001 0.000 0.198 209 K C 2.001 178.546 176.600 -0.091 0.000 1.044 209 K CA 1.332 57.600 56.287 -0.032 0.000 0.973 209 K CB -0.192 32.303 32.500 -0.009 0.000 0.767 209 K HN 0.064 nan 8.250 nan 0.000 0.475 210 S N 0.522 116.152 115.700 -0.116 0.000 2.562 210 S HA 0.035 4.504 4.470 -0.001 0.000 0.221 210 S C 0.488 175.009 174.600 -0.132 0.000 0.975 210 S CA 0.093 58.227 58.200 -0.109 0.000 0.918 210 S CB 0.077 63.216 63.200 -0.101 0.000 0.772 210 S HN -0.046 nan 8.310 nan 0.000 0.531 211 K N 1.418 121.698 120.400 -0.200 0.000 2.183 211 K HA 0.504 4.824 4.320 -0.001 0.000 0.274 211 K C 1.241 177.721 176.600 -0.200 0.000 1.009 211 K CA 0.112 56.266 56.287 -0.221 0.000 0.888 211 K CB 1.188 33.490 32.500 -0.330 0.000 1.078 211 K HN 0.193 nan 8.250 nan 0.000 0.459 212 K N 2.525 122.840 120.400 -0.141 0.000 2.032 212 K HA -0.103 4.216 4.320 -0.001 0.000 0.209 212 K C 0.634 177.161 176.600 -0.123 0.000 1.048 212 K CA 1.516 57.739 56.287 -0.108 0.000 0.927 212 K CB -0.397 32.057 32.500 -0.076 0.000 0.712 212 K HN 0.639 nan 8.250 nan 0.000 0.441 213 N N 0.619 119.233 118.700 -0.143 0.000 2.716 213 N HA 0.226 4.966 4.740 -0.001 0.000 0.253 213 N C -3.160 172.218 175.510 -0.220 0.000 1.170 213 N CA -1.432 51.533 53.050 -0.142 0.000 0.807 213 N CB 2.042 40.483 38.487 -0.077 0.000 1.183 213 N HN 0.228 nan 8.380 nan 0.000 0.524 214 P HA 0.133 nan 4.420 nan 0.000 0.271 214 P C -0.258 176.702 177.300 -0.568 0.000 1.216 214 P CA -0.237 62.385 63.100 -0.798 0.000 0.776 214 P CB 1.255 31.843 31.700 -1.852 0.000 0.881 215 M N 2.143 121.489 119.600 -0.424 0.000 2.501 215 M HA 0.682 5.161 4.480 -0.001 0.000 0.293 215 M C -1.120 175.124 176.300 -0.092 0.000 1.192 215 M CA -0.385 54.789 55.300 -0.210 0.000 0.886 215 M CB 2.578 35.122 32.600 -0.093 0.000 1.710 215 M HN 0.574 nan 8.290 nan 0.000 0.457 216 G N 3.130 111.990 108.800 0.100 0.000 2.660 216 G HA2 0.822 4.781 3.960 -0.001 0.000 0.294 216 G HA3 0.822 4.781 3.960 -0.001 0.000 0.294 216 G C -2.031 172.971 174.900 0.169 0.000 1.369 216 G CA -0.617 44.579 45.100 0.161 0.000 0.912 216 G HN 0.819 nan 8.290 nan 0.000 0.479 217 F N -0.522 119.393 119.950 -0.059 0.000 2.654 217 F HA 0.805 5.332 4.527 -0.000 0.000 0.308 217 F C -0.278 175.504 175.800 -0.029 0.000 1.108 217 F CA -1.459 56.502 58.000 -0.065 0.000 0.957 217 F CB 1.410 40.353 39.000 -0.095 0.000 1.309 217 F HN 0.640 nan 8.300 nan 0.000 0.446 218 S N 1.060 116.817 115.700 0.095 0.000 2.565 218 S HA 0.619 5.088 4.470 -0.001 0.000 0.290 218 S C -1.566 173.202 174.600 0.280 0.000 1.150 218 S CA -0.592 57.645 58.200 0.062 0.000 1.058 218 S CB 1.607 64.832 63.200 0.042 0.000 1.032 218 S HN 0.838 nan 8.310 nan 0.000 0.510 219 Y N 1.582 121.971 120.300 0.148 0.000 2.334 219 Y HA 0.433 4.983 4.550 -0.001 0.000 0.336 219 Y C -0.831 175.187 175.900 0.197 0.000 0.960 219 Y CA -0.801 57.463 58.100 0.274 0.000 1.164 219 Y CB 1.260 39.987 38.460 0.445 0.000 1.155 219 Y HN 0.854 nan 8.280 nan 0.000 0.478 220 D N 4.513 124.751 120.400 -0.269 0.000 2.443 220 D HA 0.201 4.840 4.640 -0.001 0.000 0.221 220 D C -0.757 175.397 176.300 -0.242 0.000 1.097 220 D CA -0.104 53.806 54.000 -0.150 0.000 0.865 220 D CB 0.842 41.583 40.800 -0.098 0.000 1.034 220 D HN 0.456 nan 8.370 nan 0.000 0.511 221 T N 3.234 117.823 114.554 0.058 0.000 2.851 221 T HA 0.468 4.817 4.350 -0.001 0.000 0.298 221 T C 0.640 175.441 174.700 0.169 0.000 0.977 221 T CA -0.460 61.770 62.100 0.216 0.000 1.126 221 T CB 0.610 69.828 68.868 0.584 0.000 0.916 221 T HN 0.489 nan 8.240 nan 0.000 0.529 222 R N 1.072 121.633 120.500 0.101 0.000 2.370 222 R HA 0.335 4.674 4.340 -0.001 0.000 0.309 222 R C 0.842 177.249 176.300 0.179 0.000 1.059 222 R CA -0.452 55.699 56.100 0.085 0.000 0.981 222 R CB -1.672 28.622 30.300 -0.010 0.000 0.972 222 R HN 1.072 nan 8.270 nan 0.000 0.437 223 C N 2.854 122.288 119.300 0.223 0.000 3.727 223 C HA -0.155 4.305 4.460 -0.001 0.000 0.293 223 C C 1.596 176.800 174.990 0.357 0.000 1.339 223 C CA 0.241 59.442 59.018 0.306 0.000 2.150 223 C CB -3.199 24.780 27.740 0.398 0.000 1.383 223 C HN 1.030 nan 8.230 nan 0.000 0.614 224 F N 1.856 121.927 119.950 0.202 0.000 2.091 224 F HA -0.191 4.336 4.527 -0.001 0.000 0.299 224 F C 1.944 177.857 175.800 0.188 0.000 1.103 224 F CA 2.429 60.547 58.000 0.197 0.000 1.228 224 F CB -0.020 39.085 39.000 0.174 0.000 0.984 224 F HN 0.440 nan 8.300 nan 0.000 0.477 225 D N -0.344 120.292 120.400 0.392 0.000 2.133 225 D HA -0.173 4.466 4.640 -0.001 0.000 0.195 225 D C 2.404 178.767 176.300 0.104 0.000 0.997 225 D CA 1.754 55.907 54.000 0.255 0.000 0.840 225 D CB -0.503 40.452 40.800 0.258 0.000 0.947 225 D HN 0.250 nan 8.370 nan 0.000 0.452 226 S N -0.705 115.080 115.700 0.141 0.000 2.481 226 S HA -0.087 4.382 4.470 -0.001 0.000 0.231 226 S C 1.971 176.542 174.600 -0.050 0.000 0.996 226 S CA 1.237 59.435 58.200 -0.003 0.000 0.942 226 S CB -0.176 63.038 63.200 0.024 0.000 0.768 226 S HN 0.518 nan 8.310 nan 0.000 0.520 227 T N -0.634 113.967 114.554 0.078 0.000 3.088 227 T HA 0.148 4.498 4.350 -0.001 0.000 0.259 227 T C 0.601 175.232 174.700 -0.116 0.000 1.122 227 T CA -0.012 62.124 62.100 0.060 0.000 1.095 227 T CB -0.361 68.514 68.868 0.013 0.000 0.930 227 T HN 0.037 nan 8.240 nan 0.000 0.508 228 V N 4.012 123.815 119.914 -0.184 0.000 2.479 228 V HA 0.341 4.461 4.120 -0.001 0.000 0.281 228 V C 1.088 177.124 176.094 -0.097 0.000 1.031 228 V CA -0.228 61.975 62.300 -0.161 0.000 1.038 228 V CB 0.242 32.002 31.823 -0.105 0.000 0.981 228 V HN 0.727 nan 8.190 nan 0.000 0.478 229 T N 0.768 115.278 114.554 -0.073 0.000 2.912 229 T HA 0.331 4.680 4.350 -0.001 0.000 0.280 229 T C 1.046 175.727 174.700 -0.032 0.000 0.989 229 T CA -0.291 61.775 62.100 -0.057 0.000 0.995 229 T CB 1.573 70.403 68.868 -0.063 0.000 1.077 229 T HN 0.693 nan 8.240 nan 0.000 0.531 230 E N 0.695 120.885 120.200 -0.017 0.000 2.070 230 E HA -0.317 4.033 4.350 -0.001 0.000 0.197 230 E C 1.923 178.525 176.600 0.003 0.000 1.004 230 E CA 1.886 58.289 56.400 0.004 0.000 0.805 230 E CB -0.293 29.420 29.700 0.022 0.000 0.744 230 E HN 0.787 nan 8.360 nan 0.000 0.451 231 N N 0.613 119.305 118.700 -0.013 0.000 2.061 231 N HA -0.220 4.520 4.740 -0.001 0.000 0.193 231 N C 1.477 176.993 175.510 0.010 0.000 1.030 231 N CA 2.215 55.259 53.050 -0.009 0.000 0.856 231 N CB -0.158 38.304 38.487 -0.041 0.000 1.023 231 N HN 0.177 nan 8.380 nan 0.000 0.424 232 D N -0.036 120.366 120.400 0.005 0.000 2.117 232 D HA -0.119 4.520 4.640 -0.001 0.000 0.197 232 D C 1.984 178.289 176.300 0.009 0.000 0.987 232 D CA 1.054 55.068 54.000 0.024 0.000 0.829 232 D CB -0.269 40.536 40.800 0.008 0.000 0.961 232 D HN 0.464 nan 8.370 nan 0.000 0.460 233 I N 0.549 121.125 120.570 0.010 0.000 2.315 233 I HA -0.174 3.995 4.170 -0.001 0.000 0.248 233 I C 2.488 178.611 176.117 0.009 0.000 1.117 233 I CA 0.802 62.114 61.300 0.022 0.000 1.404 233 I CB -0.037 38.001 38.000 0.063 0.000 1.071 233 I HN -0.120 nan 8.210 nan 0.000 0.419 234 R N 0.032 120.539 120.500 0.011 0.000 2.092 234 R HA -0.089 4.250 4.340 -0.001 0.000 0.231 234 R C 2.332 178.611 176.300 -0.036 0.000 1.119 234 R CA 1.082 57.184 56.100 0.002 0.000 0.970 234 R CB -0.401 29.905 30.300 0.011 0.000 0.864 234 R HN 0.198 nan 8.270 nan 0.000 0.440 235 V N 1.407 121.301 119.914 -0.033 0.000 2.343 235 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 235 V C 1.935 177.934 176.094 -0.158 0.000 1.051 235 V CA 1.832 64.097 62.300 -0.057 0.000 1.036 235 V CB -0.398 31.426 31.823 0.002 0.000 0.654 235 V HN 0.345 nan 8.190 nan 0.000 0.451 236 E N -0.333 119.744 120.200 -0.205 0.000 2.058 236 E HA -0.268 4.081 4.350 -0.001 0.000 0.194 236 E C 2.375 178.506 176.600 -0.782 0.000 0.997 236 E CA 1.435 57.557 56.400 -0.463 0.000 0.801 236 E CB -0.204 29.269 29.700 -0.378 0.000 0.746 236 E HN 0.548 nan 8.360 nan 0.000 0.450 237 E N 0.623 120.579 120.200 -0.406 0.000 2.110 237 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 237 E C 2.146 178.665 176.600 -0.134 0.000 0.988 237 E CA 1.498 57.778 56.400 -0.199 0.000 0.804 237 E CB 0.001 29.727 29.700 0.043 0.000 0.745 237 E HN 0.245 nan 8.360 nan 0.000 0.458 238 S N 0.226 115.850 115.700 -0.127 0.000 2.399 238 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 238 S C 2.165 176.715 174.600 -0.082 0.000 1.022 238 S CA 0.959 59.117 58.200 -0.070 0.000 0.983 238 S CB -0.551 62.616 63.200 -0.054 0.000 0.803 238 S HN 0.275 nan 8.310 nan 0.000 0.480 239 I N 0.243 120.712 120.570 -0.168 0.000 2.202 239 I HA -0.135 4.034 4.170 -0.001 0.000 0.242 239 I C 2.317 178.424 176.117 -0.017 0.000 1.091 239 I CA 1.296 62.519 61.300 -0.128 0.000 1.368 239 I CB -0.547 37.344 38.000 -0.182 0.000 1.058 239 I HN 0.212 nan 8.210 nan 0.000 0.410 240 Y N 0.976 121.271 120.300 -0.010 0.000 2.207 240 Y HA -0.235 4.315 4.550 -0.001 0.000 0.287 240 Y C 2.637 178.540 175.900 0.005 0.000 1.156 240 Y CA 0.754 58.852 58.100 -0.002 0.000 1.182 240 Y CB -1.033 37.440 38.460 0.021 0.000 0.979 240 Y HN 0.257 nan 8.280 nan 0.000 0.521 241 Q N -1.330 118.559 119.800 0.148 0.000 2.369 241 Q HA -0.092 4.248 4.340 -0.001 0.000 0.206 241 Q C 2.344 178.377 176.000 0.055 0.000 0.963 241 Q CA 0.805 56.663 55.803 0.091 0.000 0.894 241 Q CB -0.746 28.029 28.738 0.062 0.000 0.965 241 Q HN 0.515 nan 8.270 nan 0.000 0.475 242 C N 0.344 119.669 119.300 0.041 0.000 2.419 242 C HA -0.067 4.392 4.460 -0.001 0.000 0.281 242 C C 1.617 176.622 174.990 0.026 0.000 1.336 242 C CA -0.595 58.436 59.018 0.021 0.000 1.770 242 C CB -0.772 26.971 27.740 0.005 0.000 1.929 242 C HN 0.404 nan 8.230 nan 0.000 0.509 243 C N 1.842 121.167 119.300 0.042 0.000 2.727 243 C HA 0.119 4.578 4.460 -0.001 0.000 0.401 243 C C 0.561 175.569 174.990 0.029 0.000 1.294 243 C CA -0.195 58.842 59.018 0.032 0.000 2.134 243 C CB -0.268 27.496 27.740 0.041 0.000 2.724 243 C HN 0.499 nan 8.230 nan 0.000 0.677 244 D N 1.844 122.256 120.400 0.021 0.000 2.338 244 D HA 0.466 5.105 4.640 -0.001 0.000 0.255 244 D C -0.637 175.679 176.300 0.027 0.000 1.237 244 D CA 0.414 54.427 54.000 0.021 0.000 0.883 244 D CB 0.008 40.816 40.800 0.014 0.000 1.087 244 D HN 0.385 nan 8.370 nan 0.000 0.485 245 L N 2.033 123.276 121.223 0.035 0.000 2.393 245 L HA 0.625 4.964 4.340 -0.001 0.000 0.260 245 L C 0.235 177.133 176.870 0.047 0.000 1.002 245 L CA -1.467 53.399 54.840 0.045 0.000 0.818 245 L CB 1.866 43.958 42.059 0.055 0.000 1.369 245 L HN 0.334 nan 8.230 nan 0.000 0.412 246 A N 1.958 124.812 122.820 0.057 0.000 2.531 246 A HA 0.288 4.608 4.320 -0.001 0.000 0.236 246 A C -1.832 175.793 177.584 0.068 0.000 1.062 246 A CA -0.663 51.412 52.037 0.063 0.000 0.760 246 A CB -0.199 18.848 19.000 0.079 0.000 0.995 246 A HN 0.629 nan 8.150 nan 0.000 0.501 247 P HA -0.168 nan 4.420 nan 0.000 0.216 247 P C 1.318 178.651 177.300 0.055 0.000 1.150 247 P CA 1.536 64.664 63.100 0.047 0.000 0.837 247 P CB 0.224 31.945 31.700 0.036 0.000 0.786 248 E N -0.381 119.874 120.200 0.092 0.000 2.077 248 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 248 E C 1.950 178.642 176.600 0.153 0.000 0.989 248 E CA 1.163 57.643 56.400 0.134 0.000 0.800 248 E CB -0.456 29.396 29.700 0.253 0.000 0.746 248 E HN 0.068 nan 8.360 nan 0.000 0.452 249 A N 1.355 124.291 122.820 0.193 0.000 1.902 249 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 249 A C 2.124 179.762 177.584 0.090 0.000 1.181 249 A CA 1.503 53.651 52.037 0.184 0.000 0.623 249 A CB -0.487 18.609 19.000 0.159 0.000 0.818 249 A HN 0.181 nan 8.150 nan 0.000 0.443 250 R N -1.116 119.422 120.500 0.064 0.000 2.091 250 R HA -0.209 4.131 4.340 -0.001 0.000 0.238 250 R C 2.505 178.811 176.300 0.011 0.000 1.136 250 R CA 1.794 57.921 56.100 0.045 0.000 0.959 250 R CB -0.309 30.013 30.300 0.037 0.000 0.856 250 R HN 0.673 nan 8.270 nan 0.000 0.437 251 Q N 0.636 120.422 119.800 -0.024 0.000 2.079 251 Q HA -0.070 4.270 4.340 -0.001 0.000 0.200 251 Q C 1.964 177.876 176.000 -0.146 0.000 0.974 251 Q CA 1.894 57.649 55.803 -0.080 0.000 0.840 251 Q CB -0.201 28.476 28.738 -0.100 0.000 0.898 251 Q HN 0.334 nan 8.270 nan 0.000 0.430 252 A N 0.213 122.905 122.820 -0.213 0.000 1.902 252 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 252 A C 2.114 179.623 177.584 -0.125 0.000 1.181 252 A CA 1.527 53.375 52.037 -0.314 0.000 0.623 252 A CB -0.746 17.945 19.000 -0.515 0.000 0.818 252 A HN 0.493 nan 8.150 nan 0.000 0.443 253 I N -0.660 119.903 120.570 -0.012 0.000 2.252 253 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 253 I C 2.547 178.706 176.117 0.069 0.000 1.102 253 I CA 1.779 63.126 61.300 0.079 0.000 1.385 253 I CB -0.247 37.834 38.000 0.134 0.000 1.064 253 I HN 0.376 nan 8.210 nan 0.000 0.414 254 K N 0.530 120.945 120.400 0.025 0.000 2.032 254 K HA -0.229 4.090 4.320 -0.001 0.000 0.209 254 K C 2.386 178.963 176.600 -0.037 0.000 1.048 254 K CA 1.978 58.270 56.287 0.009 0.000 0.927 254 K CB -0.143 32.352 32.500 -0.009 0.000 0.712 254 K HN 0.122 nan 8.250 nan 0.000 0.441 255 S N 0.671 116.318 115.700 -0.089 0.000 2.356 255 S HA -0.091 4.379 4.470 -0.001 0.000 0.223 255 S C 1.981 176.482 174.600 -0.166 0.000 1.032 255 S CA 1.161 59.285 58.200 -0.127 0.000 1.005 255 S CB -0.258 62.838 63.200 -0.174 0.000 0.867 255 S HN 0.342 nan 8.310 nan 0.000 0.449 256 L N 0.768 121.861 121.223 -0.218 0.000 2.083 256 L HA -0.106 4.233 4.340 -0.001 0.000 0.209 256 L C 2.730 179.265 176.870 -0.558 0.000 1.083 256 L CA 1.498 56.075 54.840 -0.438 0.000 0.752 256 L CB -0.988 40.774 42.059 -0.495 0.000 0.899 256 L HN 0.343 nan 8.230 nan 0.000 0.433 257 T N -1.001 113.445 114.554 -0.180 0.000 2.674 257 T HA -0.156 4.194 4.350 -0.001 0.000 0.265 257 T C 1.802 176.499 174.700 -0.004 0.000 1.039 257 T CA 1.194 63.324 62.100 0.050 0.000 1.150 257 T CB -0.100 68.875 68.868 0.178 0.000 0.864 257 T HN 0.295 nan 8.240 nan 0.000 0.427 258 E N 1.029 121.209 120.200 -0.034 0.000 2.106 258 E HA -0.030 4.320 4.350 -0.001 0.000 0.192 258 E C 2.369 178.947 176.600 -0.036 0.000 0.984 258 E CA 0.992 57.379 56.400 -0.022 0.000 0.806 258 E CB -0.099 29.584 29.700 -0.028 0.000 0.750 258 E HN 0.462 nan 8.360 nan 0.000 0.458 259 R N -0.663 119.786 120.500 -0.085 0.000 2.206 259 R HA 0.123 4.463 4.340 -0.001 0.000 0.198 259 R C 1.896 178.135 176.300 -0.101 0.000 0.986 259 R CA 0.233 56.285 56.100 -0.080 0.000 1.029 259 R CB 0.282 30.525 30.300 -0.096 0.000 0.966 259 R HN 0.036 nan 8.270 nan 0.000 0.487 260 L N -1.929 119.190 121.223 -0.173 0.000 2.666 260 L HA 0.192 4.531 4.340 -0.001 0.000 0.184 260 L C 1.333 178.189 176.870 -0.023 0.000 1.092 260 L CA 0.775 55.517 54.840 -0.162 0.000 0.857 260 L CB -0.208 41.678 42.059 -0.287 0.000 1.281 260 L HN -0.122 nan 8.230 nan 0.000 0.489 261 Y N 0.387 120.701 120.300 0.024 0.000 2.200 261 Y HA -0.057 4.493 4.550 -0.001 0.000 0.290 261 Y C 2.541 178.446 175.900 0.009 0.000 1.137 261 Y CA 1.418 59.539 58.100 0.036 0.000 1.163 261 Y CB -0.886 37.619 38.460 0.076 0.000 0.988 261 Y HN 0.124 nan 8.280 nan 0.000 0.518 262 I N -1.024 119.630 120.570 0.142 0.000 2.493 262 I HA -0.008 4.161 4.170 -0.001 0.000 0.254 262 I C 1.160 177.288 176.117 0.019 0.000 1.160 262 I CA 1.193 62.537 61.300 0.073 0.000 1.445 262 I CB -0.321 37.714 38.000 0.058 0.000 1.086 262 I HN 0.289 nan 8.210 nan 0.000 0.433 263 G N -0.904 107.887 108.800 -0.014 0.000 2.320 263 G HA2 0.487 4.446 3.960 -0.001 0.000 0.297 263 G HA3 0.487 4.446 3.960 -0.001 0.000 0.297 263 G C -1.018 173.733 174.900 -0.248 0.000 1.344 263 G CA -0.134 44.891 45.100 -0.125 0.000 0.851 263 G HN 0.376 nan 8.290 nan 0.000 0.567 264 G N -0.911 107.465 108.800 -0.706 0.000 2.321 264 G HA2 0.688 4.647 3.960 -0.001 0.000 0.298 264 G HA3 0.688 4.647 3.960 -0.001 0.000 0.298 264 G C -3.485 170.758 174.900 -1.095 0.000 1.385 264 G CA 0.062 44.679 45.100 -0.804 0.000 0.856 264 G HN 0.773 nan 8.290 nan 0.000 0.584 265 P HA 0.477 nan 4.420 nan 0.000 0.275 265 P C -0.515 176.686 177.300 -0.165 0.000 1.228 265 P CA -0.209 62.754 63.100 -0.228 0.000 0.786 265 P CB 1.159 32.877 31.700 0.029 0.000 0.927 266 L N 2.142 123.318 121.223 -0.077 0.000 2.296 266 L HA 0.451 4.791 4.340 -0.001 0.000 0.286 266 L C 0.465 177.341 176.870 0.009 0.000 1.023 266 L CA -0.196 54.629 54.840 -0.025 0.000 0.812 266 L CB 1.474 43.562 42.059 0.049 0.000 1.223 266 L HN 0.263 nan 8.230 nan 0.000 0.421 267 T N 1.644 116.180 114.554 -0.029 0.000 2.792 267 T HA 0.311 4.661 4.350 -0.001 0.000 0.280 267 T C -0.143 174.537 174.700 -0.033 0.000 0.990 267 T CA -0.841 61.244 62.100 -0.025 0.000 0.960 267 T CB 1.323 70.160 68.868 -0.051 0.000 0.939 267 T HN 0.645 nan 8.240 nan 0.000 0.439 268 N N 1.058 119.756 118.700 -0.002 0.000 2.327 268 N HA 0.090 4.829 4.740 -0.001 0.000 0.257 268 N C 1.480 176.981 175.510 -0.016 0.000 1.281 268 N CA -0.206 52.844 53.050 -0.001 0.000 0.942 268 N CB 0.164 38.661 38.487 0.017 0.000 1.199 268 N HN 0.445 nan 8.380 nan 0.000 0.532 269 S N -1.029 114.671 115.700 0.000 0.000 2.442 269 S HA -0.118 4.351 4.470 -0.001 0.000 0.236 269 S C 1.013 175.609 174.600 -0.006 0.000 1.007 269 S CA 0.797 58.999 58.200 0.004 0.000 0.965 269 S CB -0.417 62.799 63.200 0.026 0.000 0.773 269 S HN 0.652 nan 8.310 nan 0.000 0.504 270 K N 0.489 120.886 120.400 -0.005 0.000 2.404 270 K HA 0.306 4.625 4.320 -0.001 0.000 0.194 270 K C 1.177 177.769 176.600 -0.014 0.000 1.023 270 K CA 0.358 56.640 56.287 -0.007 0.000 1.094 270 K CB 0.104 32.604 32.500 -0.001 0.000 0.841 270 K HN 0.526 nan 8.250 nan 0.000 0.523 271 G N 1.703 110.491 108.800 -0.020 0.000 2.157 271 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.248 271 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.248 271 G C -0.247 174.647 174.900 -0.009 0.000 0.979 271 G CA -0.143 44.942 45.100 -0.025 0.000 0.650 271 G HN 0.344 nan 8.290 nan 0.000 0.529 272 Q N 0.181 119.983 119.800 0.002 0.000 2.259 272 Q HA 0.332 4.672 4.340 -0.001 0.000 0.246 272 Q C 0.374 176.391 176.000 0.028 0.000 0.920 272 Q CA -0.586 55.227 55.803 0.016 0.000 0.895 272 Q CB 0.888 29.639 28.738 0.022 0.000 1.220 272 Q HN 0.346 nan 8.270 nan 0.000 0.439 273 N N 1.343 120.067 118.700 0.040 0.000 2.431 273 N HA -0.012 4.728 4.740 -0.001 0.000 0.265 273 N C -0.270 175.296 175.510 0.094 0.000 1.184 273 N CA -0.294 52.792 53.050 0.060 0.000 0.943 273 N CB 0.545 39.069 38.487 0.061 0.000 1.080 273 N HN 0.621 nan 8.380 nan 0.000 0.477 274 C N 2.900 122.275 119.300 0.126 0.000 2.634 274 C HA 0.363 4.822 4.460 -0.001 0.000 0.268 274 C C 1.281 176.458 174.990 0.312 0.000 1.322 274 C CA 0.508 59.659 59.018 0.221 0.000 1.737 274 C CB -1.094 26.804 27.740 0.264 0.000 1.976 274 C HN 0.961 nan 8.230 nan 0.000 0.547 275 G N -1.282 107.626 108.800 0.180 0.000 2.291 275 G HA2 0.212 4.172 3.960 -0.001 0.000 0.249 275 G HA3 0.212 4.172 3.960 -0.001 0.000 0.249 275 G C -1.987 172.952 174.900 0.064 0.000 1.340 275 G CA -0.461 44.703 45.100 0.105 0.000 1.017 275 G HN 0.046 nan 8.290 nan 0.000 0.470 276 Y N 0.775 120.954 120.300 -0.202 0.000 2.457 276 Y HA 0.750 5.299 4.550 -0.001 0.000 0.343 276 Y C 0.060 175.824 175.900 -0.227 0.000 0.994 276 Y CA -0.816 57.185 58.100 -0.166 0.000 1.031 276 Y CB 1.953 40.330 38.460 -0.138 0.000 1.246 276 Y HN 0.714 nan 8.280 nan 0.000 0.449 277 R N 4.719 124.959 120.500 -0.434 0.000 2.460 277 R HA 0.548 4.888 4.340 -0.001 0.000 0.303 277 R C -0.704 175.394 176.300 -0.338 0.000 0.968 277 R CA -0.569 55.266 56.100 -0.442 0.000 0.889 277 R CB 0.947 31.055 30.300 -0.321 0.000 1.123 277 R HN 0.923 nan 8.270 nan 0.000 0.455 278 R N 3.034 123.319 120.500 -0.358 0.000 2.659 278 R HA 0.207 4.546 4.340 -0.001 0.000 0.418 278 R C -0.505 175.654 176.300 -0.234 0.000 1.076 278 R CA -0.309 55.681 56.100 -0.184 0.000 1.093 278 R CB 0.438 30.681 30.300 -0.095 0.000 1.400 278 R HN 0.779 nan 8.270 nan 0.000 0.583 279 C N -1.814 117.291 119.300 -0.326 0.000 3.308 279 C HA 0.625 5.085 4.460 -0.001 0.000 0.360 279 C C -0.161 174.755 174.990 -0.124 0.000 1.695 279 C CA -1.527 57.348 59.018 -0.239 0.000 1.366 279 C CB 1.193 28.730 27.740 -0.339 0.000 2.121 279 C HN 0.330 nan 8.230 nan 0.000 0.442 280 R N 1.212 121.688 120.500 -0.039 0.000 2.484 280 R HA 0.476 4.815 4.340 -0.001 0.000 0.293 280 R C 0.112 176.458 176.300 0.078 0.000 1.023 280 R CA 0.913 57.041 56.100 0.047 0.000 1.037 280 R CB -0.124 30.240 30.300 0.108 0.000 0.951 280 R HN 1.154 nan 8.270 nan 0.000 0.418 281 A N 3.590 126.470 122.820 0.100 0.000 2.409 281 A HA 0.215 4.535 4.320 -0.001 0.000 0.262 281 A C 0.945 178.623 177.584 0.157 0.000 1.113 281 A CA 0.106 52.225 52.037 0.138 0.000 0.790 281 A CB 0.413 19.503 19.000 0.150 0.000 1.046 281 A HN 1.013 nan 8.150 nan 0.000 0.496 282 S N 1.951 117.759 115.700 0.181 0.000 2.496 282 S HA 0.101 4.571 4.470 -0.001 0.000 0.224 282 S C 1.058 175.756 174.600 0.162 0.000 0.996 282 S CA 0.653 58.956 58.200 0.172 0.000 0.927 282 S CB 0.104 63.413 63.200 0.182 0.000 0.774 282 S HN 1.249 nan 8.310 nan 0.000 0.524 283 G N 1.967 110.885 108.800 0.196 0.000 4.644 283 G HA2 0.526 4.486 3.960 -0.001 0.000 0.307 283 G HA3 0.526 4.486 3.960 -0.001 0.000 0.307 283 G C -0.185 174.840 174.900 0.208 0.000 1.331 283 G CA -0.144 45.077 45.100 0.202 0.000 1.059 283 G HN 0.574 nan 8.290 nan 0.000 0.590 284 V N -2.348 117.669 119.914 0.171 0.000 3.046 284 V HA 0.594 4.713 4.120 -0.001 0.000 0.316 284 V C 1.298 177.461 176.094 0.115 0.000 1.104 284 V CA -0.960 61.453 62.300 0.188 0.000 1.006 284 V CB 1.763 33.757 31.823 0.285 0.000 1.058 284 V HN 0.075 nan 8.190 nan 0.000 0.440 285 L N 2.432 123.735 121.223 0.132 0.000 2.083 285 L HA -0.028 4.312 4.340 -0.001 0.000 0.209 285 L C 2.280 179.156 176.870 0.010 0.000 1.083 285 L CA 3.067 57.968 54.840 0.102 0.000 0.752 285 L CB -0.682 41.464 42.059 0.146 0.000 0.899 285 L HN 1.093 nan 8.230 nan 0.000 0.433 286 T N -5.919 108.564 114.554 -0.119 0.000 3.129 286 T HA 0.012 4.361 4.350 -0.001 0.000 0.251 286 T C 1.556 176.194 174.700 -0.103 0.000 1.117 286 T CA 0.679 62.663 62.100 -0.193 0.000 1.034 286 T CB -0.687 67.901 68.868 -0.467 0.000 0.968 286 T HN 0.260 nan 8.240 nan 0.000 0.526 287 T N 1.987 116.515 114.554 -0.044 0.000 2.652 287 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 287 T C 2.201 176.927 174.700 0.042 0.000 1.039 287 T CA 1.827 63.941 62.100 0.024 0.000 1.153 287 T CB -0.639 68.268 68.868 0.066 0.000 0.863 287 T HN 0.545 nan 8.240 nan 0.000 0.428 288 S N -0.306 115.394 115.700 0.001 0.000 2.345 288 S HA -0.141 4.329 4.470 -0.001 0.000 0.220 288 S C 2.450 177.077 174.600 0.045 0.000 1.031 288 S CA 1.363 59.557 58.200 -0.010 0.000 0.996 288 S CB -0.953 62.135 63.200 -0.187 0.000 0.882 288 S HN 0.664 nan 8.310 nan 0.000 0.445 289 C N 1.354 120.652 119.300 -0.004 0.000 2.432 289 C HA 0.083 4.542 4.460 -0.001 0.000 0.277 289 C C 2.830 177.876 174.990 0.094 0.000 1.249 289 C CA 1.127 60.162 59.018 0.028 0.000 1.725 289 C CB -1.822 25.899 27.740 -0.032 0.000 2.028 289 C HN 0.723 nan 8.230 nan 0.000 0.477 290 G N 0.489 109.352 108.800 0.105 0.000 2.446 290 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 290 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 290 G C 1.512 176.508 174.900 0.160 0.000 1.168 290 G CA 1.160 46.330 45.100 0.117 0.000 0.771 290 G HN 0.591 nan 8.290 nan 0.000 0.551 291 N N 0.317 119.126 118.700 0.182 0.000 2.120 291 N HA -0.068 4.671 4.740 -0.001 0.000 0.188 291 N C 2.417 178.008 175.510 0.136 0.000 1.024 291 N CA 1.582 54.781 53.050 0.248 0.000 0.852 291 N CB -0.717 37.843 38.487 0.120 0.000 1.003 291 N HN 0.252 nan 8.380 nan 0.000 0.424 292 T N 1.630 116.258 114.554 0.124 0.000 2.708 292 T HA -0.001 4.349 4.350 -0.001 0.000 0.266 292 T C 2.126 176.913 174.700 0.144 0.000 1.037 292 T CA 0.685 62.866 62.100 0.135 0.000 1.146 292 T CB -0.308 68.707 68.868 0.244 0.000 0.865 292 T HN 0.121 nan 8.240 nan 0.000 0.435 293 L N 0.620 121.908 121.223 0.110 0.000 2.046 293 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 293 L C 2.929 179.892 176.870 0.155 0.000 1.077 293 L CA 1.254 56.146 54.840 0.086 0.000 0.747 293 L CB -0.957 41.111 42.059 0.015 0.000 0.896 293 L HN 0.283 nan 8.230 nan 0.000 0.432 294 T N -1.542 113.126 114.554 0.189 0.000 2.857 294 T HA -0.205 4.144 4.350 -0.001 0.000 0.266 294 T C 1.996 176.891 174.700 0.325 0.000 1.048 294 T CA 1.320 63.560 62.100 0.234 0.000 1.139 294 T CB -0.371 68.657 68.868 0.266 0.000 0.874 294 T HN 0.453 nan 8.240 nan 0.000 0.455 295 C N 0.667 120.202 119.300 0.391 0.000 2.429 295 C HA -0.064 4.395 4.460 -0.001 0.000 0.277 295 C C 2.385 177.523 174.990 0.246 0.000 1.262 295 C CA 0.434 59.659 59.018 0.346 0.000 1.733 295 C CB -1.337 26.465 27.740 0.104 0.000 2.010 295 C HN 0.670 nan 8.230 nan 0.000 0.483 296 Y N 0.854 121.209 120.300 0.092 0.000 2.242 296 Y HA -0.056 4.494 4.550 -0.000 0.000 0.291 296 Y C 2.125 178.040 175.900 0.025 0.000 1.137 296 Y CA 1.878 60.011 58.100 0.055 0.000 1.181 296 Y CB -0.509 37.969 38.460 0.030 0.000 0.989 296 Y HN 0.322 nan 8.280 nan 0.000 0.527 297 L N 1.164 122.458 121.223 0.119 0.000 1.989 297 L HA -0.201 4.138 4.340 -0.001 0.000 0.211 297 L C 2.127 178.908 176.870 -0.149 0.000 1.071 297 L CA 2.062 56.855 54.840 -0.079 0.000 0.749 297 L CB -0.929 41.062 42.059 -0.113 0.000 0.890 297 L HN 0.137 nan 8.230 nan 0.000 0.431 298 K N -0.620 119.762 120.400 -0.029 0.000 2.057 298 K HA -0.072 4.248 4.320 -0.001 0.000 0.207 298 K C 2.068 178.670 176.600 0.002 0.000 1.049 298 K CA 1.335 57.612 56.287 -0.017 0.000 0.931 298 K CB -0.380 32.200 32.500 0.134 0.000 0.714 298 K HN 0.512 nan 8.250 nan 0.000 0.440 299 A N 0.816 123.637 122.820 0.001 0.000 1.897 299 A HA -0.111 4.208 4.320 -0.001 0.000 0.215 299 A C 2.191 179.793 177.584 0.031 0.000 1.181 299 A CA 1.620 53.686 52.037 0.048 0.000 0.620 299 A CB -0.462 18.646 19.000 0.179 0.000 0.821 299 A HN 0.151 nan 8.150 nan 0.000 0.443 300 S N 0.038 115.630 115.700 -0.180 0.000 2.356 300 S HA -0.077 4.392 4.470 -0.001 0.000 0.223 300 S C 2.311 176.852 174.600 -0.099 0.000 1.032 300 S CA 1.275 59.334 58.200 -0.234 0.000 1.005 300 S CB -0.468 62.432 63.200 -0.500 0.000 0.867 300 S HN 0.788 nan 8.310 nan 0.000 0.449 301 A N 1.473 124.247 122.820 -0.077 0.000 1.902 301 A HA 0.134 4.454 4.320 -0.001 0.000 0.217 301 A C 2.344 179.988 177.584 0.101 0.000 1.181 301 A CA 1.665 53.722 52.037 0.033 0.000 0.623 301 A CB -1.034 17.978 19.000 0.020 0.000 0.818 301 A HN 0.515 nan 8.150 nan 0.000 0.443 302 A N -1.086 121.800 122.820 0.109 0.000 1.933 302 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 302 A C 2.252 179.871 177.584 0.058 0.000 1.175 302 A CA 1.593 53.580 52.037 -0.083 0.000 0.628 302 A CB -1.238 17.354 19.000 -0.680 0.000 0.814 302 A HN 0.590 nan 8.150 nan 0.000 0.444 303 C N -0.853 118.573 119.300 0.210 0.000 2.425 303 C HA -0.084 4.376 4.460 -0.001 0.000 0.277 303 C C 2.890 177.893 174.990 0.021 0.000 1.280 303 C CA 1.103 60.257 59.018 0.228 0.000 1.744 303 C CB -1.291 26.538 27.740 0.148 0.000 1.989 303 C HN 0.598 nan 8.230 nan 0.000 0.491 304 R N 0.978 121.399 120.500 -0.132 0.000 2.062 304 R HA -0.036 4.304 4.340 -0.001 0.000 0.229 304 R C 2.459 178.469 176.300 -0.484 0.000 1.128 304 R CA 1.452 57.336 56.100 -0.359 0.000 0.960 304 R CB -0.569 29.392 30.300 -0.564 0.000 0.855 304 R HN 0.502 nan 8.270 nan 0.000 0.432 305 A N 1.429 123.984 122.820 -0.442 0.000 1.940 305 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 305 A C 2.262 179.824 177.584 -0.038 0.000 1.176 305 A CA 1.832 53.782 52.037 -0.144 0.000 0.631 305 A CB -0.485 18.506 19.000 -0.015 0.000 0.814 305 A HN 0.404 nan 8.150 nan 0.000 0.446 306 A N -1.387 121.429 122.820 -0.006 0.000 2.169 306 A HA 0.244 4.563 4.320 -0.001 0.000 0.212 306 A C 1.038 178.638 177.584 0.026 0.000 1.153 306 A CA 0.903 52.967 52.037 0.046 0.000 0.756 306 A CB -0.345 18.744 19.000 0.148 0.000 0.813 306 A HN 0.520 nan 8.150 nan 0.000 0.471 307 K N -0.877 119.523 120.400 0.000 0.000 3.096 307 K HA -0.149 4.171 4.320 -0.001 0.000 0.266 307 K C -0.724 175.883 176.600 0.012 0.000 1.043 307 K CA 0.423 56.710 56.287 0.001 0.000 0.758 307 K CB -2.123 30.383 32.500 0.010 0.000 1.260 307 K HN 0.532 nan 8.250 nan 0.000 0.481 308 L N 1.321 122.560 121.223 0.026 0.000 2.453 308 L HA 0.129 4.468 4.340 -0.001 0.000 0.272 308 L C 1.286 178.162 176.870 0.010 0.000 1.182 308 L CA 0.350 55.207 54.840 0.028 0.000 0.858 308 L CB 0.329 42.422 42.059 0.057 0.000 1.120 308 L HN 0.409 nan 8.230 nan 0.000 0.474 309 Q N 1.833 121.633 119.800 -0.000 0.000 2.256 309 Q HA 0.200 4.540 4.340 -0.001 0.000 0.254 309 Q C 0.311 176.298 176.000 -0.022 0.000 0.916 309 Q CA -0.357 55.440 55.803 -0.010 0.000 0.932 309 Q CB 0.920 29.649 28.738 -0.015 0.000 1.207 309 Q HN 0.732 nan 8.270 nan 0.000 0.426 310 D N 0.430 120.818 120.400 -0.020 0.000 2.697 310 D HA -0.161 4.478 4.640 -0.001 0.000 0.235 310 D C -0.107 176.172 176.300 -0.035 0.000 1.167 310 D CA 1.017 55.001 54.000 -0.027 0.000 0.656 310 D CB -1.857 38.919 40.800 -0.040 0.000 1.025 310 D HN 1.182 nan 8.370 nan 0.000 0.419 311 C N -0.406 118.882 119.300 -0.021 0.000 2.536 311 C HA 0.812 5.271 4.460 -0.001 0.000 0.396 311 C C 0.658 175.640 174.990 -0.014 0.000 1.279 311 C CA -0.603 58.398 59.018 -0.028 0.000 2.148 311 C CB 1.138 28.867 27.740 -0.017 0.000 2.584 311 C HN 0.434 nan 8.230 nan 0.000 0.579 312 T N 5.491 120.031 114.554 -0.024 0.000 2.848 312 T HA 0.543 4.893 4.350 -0.001 0.000 0.285 312 T C -0.177 174.545 174.700 0.036 0.000 0.995 312 T CA -0.251 61.869 62.100 0.034 0.000 0.970 312 T CB 1.124 69.992 68.868 0.000 0.000 0.976 312 T HN 0.736 nan 8.240 nan 0.000 0.441 313 M N 3.061 122.730 119.600 0.116 0.000 2.537 313 M HA 0.623 5.103 4.480 -0.001 0.000 0.324 313 M C -1.178 175.245 176.300 0.204 0.000 1.187 313 M CA -1.122 54.237 55.300 0.099 0.000 0.993 313 M CB 1.885 34.542 32.600 0.094 0.000 1.666 313 M HN 0.337 nan 8.290 nan 0.000 0.461 314 L N 2.652 123.953 121.223 0.130 0.000 2.404 314 L HA 0.641 4.981 4.340 -0.001 0.000 0.272 314 L C -1.498 175.380 176.870 0.013 0.000 0.980 314 L CA -0.453 54.461 54.840 0.123 0.000 0.836 314 L CB 1.748 43.915 42.059 0.181 0.000 1.238 314 L HN 0.489 nan 8.230 nan 0.000 0.408 315 V N 4.340 124.237 119.914 -0.029 0.000 2.487 315 V HA 0.581 4.701 4.120 -0.001 0.000 0.298 315 V C -0.748 175.180 176.094 -0.277 0.000 1.028 315 V CA -0.615 61.648 62.300 -0.061 0.000 0.860 315 V CB 1.940 33.821 31.823 0.096 0.000 0.991 315 V HN 0.796 nan 8.190 nan 0.000 0.427 316 N N 3.580 122.064 118.700 -0.360 0.000 2.617 316 N HA 0.612 5.352 4.740 -0.001 0.000 0.263 316 N C 0.550 175.929 175.510 -0.218 0.000 1.074 316 N CA 0.526 53.141 53.050 -0.726 0.000 0.841 316 N CB 1.744 39.647 38.487 -0.973 0.000 1.221 316 N HN 1.071 nan 8.380 nan 0.000 0.529 317 G N 2.403 111.236 108.800 0.056 0.000 2.596 317 G HA2 -0.398 3.561 3.960 -0.001 0.000 0.304 317 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.304 317 G C 0.498 175.253 174.900 -0.242 0.000 1.189 317 G CA 0.764 45.881 45.100 0.028 0.000 0.986 317 G HN 0.624 nan 8.290 nan 0.000 0.548 318 D N 1.227 121.402 120.400 -0.376 0.000 2.340 318 D HA 0.129 4.768 4.640 -0.001 0.000 0.220 318 D C 0.354 176.505 176.300 -0.249 0.000 1.039 318 D CA 0.795 54.380 54.000 -0.691 0.000 0.866 318 D CB -0.057 40.288 40.800 -0.757 0.000 0.913 318 D HN 0.409 nan 8.370 nan 0.000 0.523 319 D N 0.601 120.919 120.400 -0.136 0.000 2.280 319 D HA 0.306 4.945 4.640 -0.001 0.000 0.243 319 D C -1.061 175.212 176.300 -0.045 0.000 1.129 319 D CA -0.578 53.387 54.000 -0.057 0.000 0.848 319 D CB 1.189 41.955 40.800 -0.057 0.000 1.107 319 D HN 0.054 nan 8.370 nan 0.000 0.471 320 L N 5.195 126.433 121.223 0.025 0.000 2.410 320 L HA 0.524 4.863 4.340 -0.001 0.000 0.270 320 L C -1.735 175.128 176.870 -0.013 0.000 0.983 320 L CA -0.707 54.156 54.840 0.039 0.000 0.822 320 L CB 1.852 44.004 42.059 0.156 0.000 1.285 320 L HN 0.139 nan 8.230 nan 0.000 0.409 321 V N 5.867 125.732 119.914 -0.083 0.000 2.789 321 V HA 0.811 4.930 4.120 -0.001 0.000 0.311 321 V C -1.437 174.482 176.094 -0.291 0.000 1.073 321 V CA -0.377 61.806 62.300 -0.194 0.000 0.921 321 V CB 2.440 34.194 31.823 -0.115 0.000 1.009 321 V HN 0.592 nan 8.190 nan 0.000 0.426 322 V N 7.486 127.038 119.914 -0.602 0.000 2.531 322 V HA 0.574 4.693 4.120 -0.001 0.000 0.301 322 V C -0.344 175.502 176.094 -0.413 0.000 1.034 322 V CA -0.447 61.502 62.300 -0.585 0.000 0.865 322 V CB 1.727 32.958 31.823 -0.986 0.000 0.995 322 V HN 0.746 nan 8.190 nan 0.000 0.424 323 I N 5.064 125.521 120.570 -0.188 0.000 2.378 323 I HA 0.698 4.868 4.170 -0.001 0.000 0.291 323 I C -0.019 176.027 176.117 -0.119 0.000 0.992 323 I CA -0.317 60.925 61.300 -0.098 0.000 1.154 323 I CB 1.579 39.568 38.000 -0.019 0.000 1.315 323 I HN 0.886 nan 8.210 nan 0.000 0.448 324 C N 2.290 121.517 119.300 -0.121 0.000 3.340 324 C HA 0.621 5.081 4.460 -0.001 0.000 0.333 324 C C -0.310 174.598 174.990 -0.136 0.000 1.464 324 C CA -0.933 58.025 59.018 -0.100 0.000 1.337 324 C CB 1.417 29.138 27.740 -0.032 0.000 1.740 324 C HN 0.719 nan 8.230 nan 0.000 0.450 325 E N 1.526 121.666 120.200 -0.100 0.000 2.217 325 E HA 0.393 4.743 4.350 -0.001 0.000 0.279 325 E C 0.260 176.828 176.600 -0.054 0.000 1.068 325 E CA 0.591 56.932 56.400 -0.097 0.000 0.882 325 E CB 0.804 30.461 29.700 -0.072 0.000 1.039 325 E HN 0.779 nan 8.360 nan 0.000 0.418 326 S N 3.088 118.761 115.700 -0.045 0.000 2.562 326 S HA 0.332 4.801 4.470 -0.001 0.000 0.281 326 S C 0.249 174.855 174.600 0.010 0.000 1.333 326 S CA 0.157 58.373 58.200 0.028 0.000 1.052 326 S CB 0.520 63.779 63.200 0.100 0.000 0.884 326 S HN 0.562 nan 8.310 nan 0.000 0.506 327 A N 3.841 126.676 122.820 0.025 0.000 2.713 327 A HA 0.643 4.962 4.320 -0.001 0.000 0.296 327 A C 0.901 178.489 177.584 0.007 0.000 1.255 327 A CA 0.130 52.172 52.037 0.008 0.000 0.955 327 A CB -1.061 17.943 19.000 0.007 0.000 1.149 327 A HN 1.887 nan 8.150 nan 0.000 0.538 328 G N -0.772 108.032 108.800 0.006 0.000 2.758 328 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.686 328 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.686 328 G C 0.694 175.603 174.900 0.015 0.000 1.389 328 G CA 0.300 45.390 45.100 -0.017 0.000 0.845 328 G HN 1.399 nan 8.290 nan 0.000 0.572 329 T N -2.227 112.311 114.554 -0.027 0.000 3.055 329 T HA 0.019 4.369 4.350 -0.001 0.000 0.265 329 T C 1.913 176.646 174.700 0.056 0.000 1.111 329 T CA 2.046 64.167 62.100 0.035 0.000 1.118 329 T CB 0.017 68.833 68.868 -0.088 0.000 0.909 329 T HN 0.510 nan 8.240 nan 0.000 0.501 330 Q N 0.921 120.732 119.800 0.018 0.000 2.062 330 Q HA 0.065 4.405 4.340 -0.001 0.000 0.196 330 Q C 2.828 178.838 176.000 0.016 0.000 0.967 330 Q CA 2.162 57.973 55.803 0.015 0.000 0.832 330 Q CB -0.900 27.839 28.738 0.002 0.000 0.899 330 Q HN 0.914 nan 8.270 nan 0.000 0.442 331 E N 1.606 121.815 120.200 0.015 0.000 2.150 331 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 331 E C 1.544 178.152 176.600 0.013 0.000 0.985 331 E CA 1.429 57.836 56.400 0.011 0.000 0.814 331 E CB -0.502 29.203 29.700 0.008 0.000 0.752 331 E HN 0.312 nan 8.360 nan 0.000 0.466 332 D N 0.144 120.566 120.400 0.037 0.000 2.097 332 D HA -0.041 4.598 4.640 -0.001 0.000 0.195 332 D C 2.280 178.569 176.300 -0.018 0.000 0.989 332 D CA 1.888 55.908 54.000 0.034 0.000 0.827 332 D CB -0.517 40.365 40.800 0.136 0.000 0.966 332 D HN 0.479 nan 8.370 nan 0.000 0.456 333 A N 0.861 123.686 122.820 0.008 0.000 1.933 333 A HA -0.033 4.287 4.320 -0.001 0.000 0.218 333 A C 2.283 179.848 177.584 -0.032 0.000 1.175 333 A CA 2.225 54.251 52.037 -0.020 0.000 0.628 333 A CB -0.720 18.287 19.000 0.011 0.000 0.814 333 A HN 0.236 nan 8.150 nan 0.000 0.444 334 A N -0.583 122.228 122.820 -0.015 0.000 1.877 334 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 334 A C 2.449 180.022 177.584 -0.019 0.000 1.186 334 A CA 2.083 54.113 52.037 -0.012 0.000 0.620 334 A CB -1.027 17.971 19.000 -0.004 0.000 0.822 334 A HN 0.438 nan 8.150 nan 0.000 0.443 335 S N -0.083 115.602 115.700 -0.025 0.000 2.374 335 S HA -0.135 4.335 4.470 -0.001 0.000 0.227 335 S C 1.807 176.377 174.600 -0.049 0.000 1.037 335 S CA 1.559 59.744 58.200 -0.025 0.000 1.024 335 S CB -0.457 62.725 63.200 -0.030 0.000 0.861 335 S HN 0.498 nan 8.310 nan 0.000 0.456 336 L N 0.694 121.832 121.223 -0.141 0.000 2.093 336 L HA -0.055 4.285 4.340 -0.001 0.000 0.208 336 L C 2.638 179.489 176.870 -0.030 0.000 1.085 336 L CA 1.158 55.861 54.840 -0.228 0.000 0.755 336 L CB -0.636 41.181 42.059 -0.402 0.000 0.904 336 L HN 0.277 nan 8.230 nan 0.000 0.435 337 R N -0.176 120.312 120.500 -0.020 0.000 2.073 337 R HA -0.127 4.212 4.340 -0.001 0.000 0.234 337 R C 2.289 178.603 176.300 0.023 0.000 1.134 337 R CA 1.270 57.377 56.100 0.012 0.000 0.952 337 R CB -0.526 29.773 30.300 -0.001 0.000 0.850 337 R HN 0.184 nan 8.270 nan 0.000 0.433 338 V N 0.888 120.813 119.914 0.019 0.000 2.295 338 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 338 V C 1.990 178.092 176.094 0.015 0.000 1.049 338 V CA 1.872 64.177 62.300 0.009 0.000 1.024 338 V CB -0.632 31.198 31.823 0.012 0.000 0.648 338 V HN 0.223 nan 8.190 nan 0.000 0.447 339 F N 1.499 121.399 119.950 -0.082 0.000 2.091 339 F HA -0.280 4.247 4.527 -0.001 0.000 0.299 339 F C 2.446 178.190 175.800 -0.095 0.000 1.103 339 F CA 2.474 60.423 58.000 -0.086 0.000 1.228 339 F CB -0.576 38.373 39.000 -0.086 0.000 0.984 339 F HN 0.124 nan 8.300 nan 0.000 0.477 340 T N -0.055 114.578 114.554 0.132 0.000 2.746 340 T HA -0.200 4.150 4.350 -0.001 0.000 0.267 340 T C 1.693 176.378 174.700 -0.026 0.000 1.039 340 T CA 1.778 63.961 62.100 0.138 0.000 1.142 340 T CB -0.339 68.680 68.868 0.251 0.000 0.866 340 T HN 0.399 nan 8.240 nan 0.000 0.444 341 E N 0.909 121.073 120.200 -0.059 0.000 2.077 341 E HA -0.050 4.299 4.350 -0.001 0.000 0.193 341 E C 2.539 179.006 176.600 -0.222 0.000 0.989 341 E CA 0.985 57.323 56.400 -0.104 0.000 0.800 341 E CB -0.219 29.434 29.700 -0.079 0.000 0.746 341 E HN 0.472 nan 8.360 nan 0.000 0.452 342 A N 1.197 123.833 122.820 -0.306 0.000 1.858 342 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 342 A C 2.158 179.325 177.584 -0.696 0.000 1.190 342 A CA 1.369 53.083 52.037 -0.538 0.000 0.617 342 A CB -0.378 18.358 19.000 -0.440 0.000 0.827 342 A HN 0.125 nan 8.150 nan 0.000 0.443 343 M N -0.242 119.048 119.600 -0.517 0.000 2.106 343 M HA -0.139 4.341 4.480 -0.001 0.000 0.259 343 M C 2.200 178.415 176.300 -0.142 0.000 1.068 343 M CA 2.168 57.275 55.300 -0.322 0.000 1.100 343 M CB -2.011 30.304 32.600 -0.474 0.000 1.351 343 M HN 0.464 nan 8.290 nan 0.000 0.404 344 T N 0.000 114.476 114.554 -0.130 0.000 2.746 344 T HA -0.109 4.241 4.350 -0.001 0.000 0.267 344 T C 1.967 176.601 174.700 -0.110 0.000 1.039 344 T CA 1.083 63.145 62.100 -0.063 0.000 1.142 344 T CB -0.185 68.657 68.868 -0.044 0.000 0.866 344 T HN 0.375 nan 8.240 nan 0.000 0.444 345 R N 0.025 120.387 120.500 -0.230 0.000 2.120 345 R HA -0.065 4.275 4.340 -0.001 0.000 0.234 345 R C 1.607 177.812 176.300 -0.158 0.000 1.123 345 R CA 1.114 57.069 56.100 -0.241 0.000 0.975 345 R CB -0.272 29.806 30.300 -0.371 0.000 0.866 345 R HN 0.442 nan 8.270 nan 0.000 0.446 346 Y N -0.159 120.074 120.300 -0.112 0.000 2.502 346 Y HA 0.084 4.634 4.550 -0.000 0.000 0.295 346 Y C 1.090 176.928 175.900 -0.103 0.000 1.193 346 Y CA -0.248 57.771 58.100 -0.135 0.000 1.295 346 Y CB -0.072 38.332 38.460 -0.093 0.000 1.059 346 Y HN -0.015 nan 8.280 nan 0.000 0.514 347 S N -0.765 114.963 115.700 0.047 0.000 3.576 347 S HA -0.175 4.294 4.470 -0.001 0.000 0.294 347 S C 0.169 174.793 174.600 0.041 0.000 1.224 347 S CA 0.474 58.692 58.200 0.030 0.000 0.866 347 S CB -1.497 61.708 63.200 0.009 0.000 1.017 347 S HN 0.616 nan 8.310 nan 0.000 0.597 348 A N 1.558 124.423 122.820 0.076 0.000 3.165 348 A HA 0.610 4.930 4.320 -0.001 0.000 0.331 348 A C -2.093 175.628 177.584 0.229 0.000 1.034 348 A CA -1.114 51.009 52.037 0.144 0.000 0.906 348 A CB 0.606 19.730 19.000 0.207 0.000 1.054 348 A HN 0.445 nan 8.150 nan 0.000 0.484 349 P HA 0.292 nan 4.420 nan 0.000 0.274 349 P C -2.910 174.469 177.300 0.132 0.000 1.237 349 P CA -1.226 61.947 63.100 0.122 0.000 0.793 349 P CB 0.527 32.228 31.700 0.000 0.000 0.977 350 P HA 0.123 nan 4.420 nan 0.000 0.279 350 P C 0.660 177.899 177.300 -0.101 0.000 1.252 350 P CA 0.002 63.007 63.100 -0.159 0.000 0.811 350 P CB 0.841 32.419 31.700 -0.204 0.000 1.035 351 G N 0.752 109.479 108.800 -0.121 0.000 2.648 351 G HA2 0.093 4.052 3.960 -0.001 0.000 0.217 351 G HA3 0.093 4.052 3.960 -0.001 0.000 0.217 351 G C 0.233 175.091 174.900 -0.070 0.000 1.386 351 G CA 0.673 45.732 45.100 -0.068 0.000 0.920 351 G HN 0.725 nan 8.290 nan 0.000 0.540 352 D N 2.403 122.759 120.400 -0.074 0.000 2.308 352 D HA 0.555 5.194 4.640 -0.001 0.000 0.251 352 D C -2.221 174.033 176.300 -0.078 0.000 1.127 352 D CA -1.464 52.502 54.000 -0.057 0.000 0.876 352 D CB 0.204 40.981 40.800 -0.038 0.000 1.176 352 D HN 0.258 nan 8.370 nan 0.000 0.446 353 P HA 0.256 nan 4.420 nan 0.000 0.268 353 P C -2.449 174.843 177.300 -0.014 0.000 1.205 353 P CA -0.866 62.217 63.100 -0.029 0.000 0.771 353 P CB 0.369 32.064 31.700 -0.007 0.000 0.858 354 P HA 0.104 nan 4.420 nan 0.000 0.272 354 P C -0.594 176.698 177.300 -0.014 0.000 1.223 354 P CA 0.050 63.181 63.100 0.053 0.000 0.784 354 P CB 0.695 32.486 31.700 0.152 0.000 0.923 355 Q N 1.177 120.982 119.800 0.008 0.000 2.347 355 Q HA 0.464 4.803 4.340 -0.001 0.000 0.271 355 Q C -2.544 173.438 176.000 -0.029 0.000 1.064 355 Q CA -1.772 54.020 55.803 -0.019 0.000 0.800 355 Q CB 1.719 30.462 28.738 0.008 0.000 1.304 355 Q HN 0.492 nan 8.270 nan 0.000 0.438 356 P HA 0.344 nan 4.420 nan 0.000 0.271 356 P C -0.687 176.423 177.300 -0.317 0.000 1.216 356 P CA -0.169 62.803 63.100 -0.214 0.000 0.771 356 P CB 0.645 32.210 31.700 -0.225 0.000 0.864 357 E N 1.489 121.465 120.200 -0.372 0.000 2.248 357 E HA 0.363 4.712 4.350 -0.001 0.000 0.267 357 E C -1.058 175.380 176.600 -0.269 0.000 0.877 357 E CA -0.483 55.775 56.400 -0.237 0.000 0.759 357 E CB 0.821 30.498 29.700 -0.038 0.000 1.182 357 E HN 0.334 nan 8.360 nan 0.000 0.418 358 Y N 0.702 121.147 120.300 0.242 0.000 2.500 358 Y HA 0.312 4.861 4.550 -0.001 0.000 0.246 358 Y C -0.002 176.125 175.900 0.379 0.000 1.146 358 Y CA -0.522 57.773 58.100 0.326 0.000 1.230 358 Y CB 1.031 39.589 38.460 0.164 0.000 1.214 358 Y HN 0.335 nan 8.280 nan 0.000 0.526 359 D N 0.677 121.231 120.400 0.258 0.000 2.440 359 D HA 0.117 4.757 4.640 -0.001 0.000 0.239 359 D C 0.799 176.896 176.300 -0.339 0.000 1.084 359 D CA -0.268 53.747 54.000 0.024 0.000 0.843 359 D CB 1.753 42.570 40.800 0.028 0.000 1.097 359 D HN 0.128 nan 8.370 nan 0.000 0.531 360 L N 4.467 125.156 121.223 -0.890 0.000 2.079 360 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 360 L C 1.614 178.153 176.870 -0.552 0.000 1.081 360 L CA 1.934 56.059 54.840 -1.191 0.000 0.752 360 L CB -0.302 40.782 42.059 -1.625 0.000 0.896 360 L HN 0.505 nan 8.230 nan 0.000 0.433 361 E N -0.728 119.252 120.200 -0.366 0.000 2.401 361 E HA -0.158 4.192 4.350 -0.001 0.000 0.199 361 E C 1.856 178.367 176.600 -0.149 0.000 1.023 361 E CA 0.770 57.044 56.400 -0.210 0.000 0.859 361 E CB -0.162 29.463 29.700 -0.125 0.000 0.780 361 E HN 0.560 nan 8.360 nan 0.000 0.523 362 L N 0.626 121.760 121.223 -0.148 0.000 2.607 362 L HA 0.204 4.543 4.340 -0.001 0.000 0.228 362 L C 0.605 177.425 176.870 -0.083 0.000 1.123 362 L CA -0.191 54.597 54.840 -0.086 0.000 0.890 362 L CB 0.269 42.301 42.059 -0.044 0.000 1.103 362 L HN 0.025 nan 8.230 nan 0.000 0.468 363 I N 0.354 120.847 120.570 -0.128 0.000 2.337 363 I HA 0.080 4.249 4.170 -0.001 0.000 0.291 363 I C 0.128 176.200 176.117 -0.076 0.000 1.046 363 I CA 0.204 61.447 61.300 -0.094 0.000 1.324 363 I CB 1.131 39.058 38.000 -0.121 0.000 1.409 363 I HN -0.073 nan 8.210 nan 0.000 0.494 364 T N 5.331 119.862 114.554 -0.039 0.000 2.767 364 T HA 0.471 4.820 4.350 -0.001 0.000 0.288 364 T C -0.148 174.546 174.700 -0.010 0.000 0.963 364 T CA -0.561 61.526 62.100 -0.021 0.000 1.019 364 T CB 0.901 69.763 68.868 -0.010 0.000 0.923 364 T HN 0.750 nan 8.240 nan 0.000 0.468 365 S N 0.782 116.480 115.700 -0.004 0.000 2.536 365 S HA 0.380 4.849 4.470 -0.001 0.000 0.271 365 S C 0.020 174.634 174.600 0.023 0.000 1.134 365 S CA -0.885 57.315 58.200 -0.000 0.000 0.897 365 S CB 0.523 63.708 63.200 -0.025 0.000 1.094 365 S HN 0.890 nan 8.310 nan 0.000 0.473 366 C N 2.187 121.501 119.300 0.024 0.000 3.886 366 C HA -0.159 4.300 4.460 -0.001 0.000 0.295 366 C C 1.461 176.521 174.990 0.116 0.000 1.411 366 C CA 0.817 59.874 59.018 0.065 0.000 2.059 366 C CB -3.309 24.468 27.740 0.062 0.000 1.329 366 C HN 1.681 nan 8.230 nan 0.000 0.670 367 S N -1.977 113.775 115.700 0.086 0.000 3.270 367 S HA -0.203 4.266 4.470 -0.001 0.000 0.293 367 S C 0.357 175.006 174.600 0.082 0.000 1.278 367 S CA 1.350 59.599 58.200 0.081 0.000 1.038 367 S CB -0.867 62.394 63.200 0.101 0.000 1.218 367 S HN 1.007 nan 8.310 nan 0.000 0.659 368 S N 1.751 117.510 115.700 0.099 0.000 2.671 368 S HA 0.794 5.264 4.470 -0.001 0.000 0.299 368 S C -0.356 174.272 174.600 0.047 0.000 1.116 368 S CA -0.853 57.422 58.200 0.124 0.000 0.912 368 S CB 1.788 65.134 63.200 0.243 0.000 1.130 368 S HN 0.602 nan 8.310 nan 0.000 0.501 369 N N -0.856 117.861 118.700 0.030 0.000 2.494 369 N HA 0.398 5.137 4.740 -0.001 0.000 0.270 369 N C -1.610 173.846 175.510 -0.090 0.000 1.285 369 N CA -0.581 52.442 53.050 -0.046 0.000 0.812 369 N CB 1.020 39.470 38.487 -0.062 0.000 1.557 369 N HN 0.330 nan 8.380 nan 0.000 0.487 370 V N 0.526 120.353 119.914 -0.146 0.000 2.614 370 V HA 0.403 4.523 4.120 -0.001 0.000 0.291 370 V C 0.498 176.464 176.094 -0.213 0.000 1.049 370 V CA 0.095 62.282 62.300 -0.188 0.000 1.038 370 V CB 0.909 32.608 31.823 -0.207 0.000 0.980 370 V HN 0.840 nan 8.190 nan 0.000 0.481 371 S N 2.729 118.214 115.700 -0.359 0.000 2.732 371 S HA 0.785 5.255 4.470 -0.001 0.000 0.293 371 S C -1.311 173.173 174.600 -0.193 0.000 1.159 371 S CA -0.469 57.555 58.200 -0.294 0.000 0.847 371 S CB 2.068 65.066 63.200 -0.338 0.000 1.169 371 S HN 0.675 nan 8.310 nan 0.000 0.501 372 V N 1.272 121.201 119.914 0.025 0.000 2.656 372 V HA 0.961 5.080 4.120 -0.001 0.000 0.307 372 V C -0.266 175.884 176.094 0.093 0.000 1.051 372 V CA 0.239 62.528 62.300 -0.018 0.000 0.893 372 V CB 1.006 32.674 31.823 -0.259 0.000 0.999 372 V HN 1.233 nan 8.190 nan 0.000 0.426 373 A N 5.195 127.959 122.820 -0.093 0.000 2.507 373 A HA 0.868 5.188 4.320 -0.001 0.000 0.284 373 A C -1.083 176.205 177.584 -0.494 0.000 1.281 373 A CA -0.638 51.204 52.037 -0.326 0.000 0.744 373 A CB 1.709 20.256 19.000 -0.756 0.000 1.332 373 A HN 0.939 nan 8.150 nan 0.000 0.454 374 H N 0.190 118.908 119.070 -0.586 0.000 2.637 374 H HA 0.371 4.927 4.556 -0.001 0.000 0.363 374 H C -1.114 173.871 175.328 -0.572 0.000 1.131 374 H CA -0.504 55.209 56.048 -0.559 0.000 1.183 374 H CB 1.936 31.313 29.762 -0.642 0.000 1.637 374 H HN 0.908 nan 8.280 nan 0.000 0.531 375 D N 0.821 121.104 120.400 -0.194 0.000 2.478 375 D HA 0.180 4.820 4.640 -0.001 0.000 0.269 375 D C 1.254 177.624 176.300 0.117 0.000 1.232 375 D CA -0.475 53.487 54.000 -0.064 0.000 1.059 375 D CB 0.418 41.188 40.800 -0.050 0.000 1.104 375 D HN 0.454 nan 8.370 nan 0.000 0.566 376 A N -0.424 122.478 122.820 0.135 0.000 2.019 376 A HA -0.103 4.217 4.320 -0.001 0.000 0.219 376 A C 1.928 179.590 177.584 0.129 0.000 1.164 376 A CA 2.016 54.147 52.037 0.155 0.000 0.644 376 A CB -1.016 18.037 19.000 0.087 0.000 0.805 376 A HN 0.611 nan 8.150 nan 0.000 0.449 377 S N -2.360 113.397 115.700 0.094 0.000 2.575 377 S HA 0.402 4.871 4.470 -0.001 0.000 0.215 377 S C 1.362 176.013 174.600 0.086 0.000 0.966 377 S CA 0.998 59.240 58.200 0.070 0.000 0.911 377 S CB -0.140 63.086 63.200 0.042 0.000 0.780 377 S HN 1.859 nan 8.310 nan 0.000 0.514 378 G N 1.254 110.135 108.800 0.135 0.000 2.195 378 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.246 378 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.246 378 G C 0.015 175.002 174.900 0.145 0.000 0.984 378 G CA 0.180 45.371 45.100 0.152 0.000 0.633 378 G HN 0.715 nan 8.290 nan 0.000 0.525 379 K N 1.224 121.647 120.400 0.039 0.000 2.448 379 K HA 0.324 4.643 4.320 -0.001 0.000 0.278 379 K C 0.850 177.330 176.600 -0.200 0.000 1.009 379 K CA -0.473 55.788 56.287 -0.044 0.000 0.995 379 K CB 0.214 32.687 32.500 -0.044 0.000 0.917 379 K HN 0.335 nan 8.250 nan 0.000 0.481 380 R N 2.101 122.411 120.500 -0.317 0.000 2.522 380 R HA 0.083 4.422 4.340 -0.001 0.000 0.284 380 R C -0.745 175.277 176.300 -0.463 0.000 1.032 380 R CA -0.132 55.624 56.100 -0.574 0.000 1.049 380 R CB 0.658 30.652 30.300 -0.511 0.000 0.956 380 R HN 0.263 nan 8.270 nan 0.000 0.422 381 V N 5.117 124.721 119.914 -0.517 0.000 2.577 381 V HA 0.248 4.368 4.120 -0.001 0.000 0.303 381 V C -1.033 174.870 176.094 -0.317 0.000 1.042 381 V CA -0.846 61.261 62.300 -0.321 0.000 0.872 381 V CB 1.434 33.135 31.823 -0.203 0.000 0.998 381 V HN 0.575 nan 8.190 nan 0.000 0.423 382 Y N 5.431 125.727 120.300 -0.007 0.000 2.310 382 Y HA 0.666 5.216 4.550 -0.001 0.000 0.326 382 Y C 0.016 175.975 175.900 0.099 0.000 1.151 382 Y CA -0.313 57.791 58.100 0.007 0.000 1.195 382 Y CB 1.143 39.559 38.460 -0.074 0.000 1.210 382 Y HN 0.719 nan 8.280 nan 0.000 0.483 383 Y N 0.239 120.595 120.300 0.094 0.000 2.625 383 Y HA 0.673 5.223 4.550 -0.001 0.000 0.338 383 Y C -2.186 173.769 175.900 0.091 0.000 1.123 383 Y CA -2.033 56.103 58.100 0.059 0.000 1.046 383 Y CB 0.713 39.181 38.460 0.014 0.000 1.299 383 Y HN 0.460 nan 8.280 nan 0.000 0.464 384 L N 2.294 123.555 121.223 0.065 0.000 2.276 384 L HA 0.699 5.038 4.340 -0.001 0.000 0.286 384 L C 0.065 177.095 176.870 0.267 0.000 1.061 384 L CA 0.461 55.339 54.840 0.062 0.000 0.807 384 L CB 1.192 43.316 42.059 0.109 0.000 1.177 384 L HN 1.026 nan 8.230 nan 0.000 0.429 385 T N 4.571 119.236 114.554 0.184 0.000 2.773 385 T HA 0.882 5.232 4.350 -0.001 0.000 0.278 385 T C -1.043 173.799 174.700 0.237 0.000 1.011 385 T CA -0.624 61.689 62.100 0.356 0.000 1.014 385 T CB 1.096 70.133 68.868 0.282 0.000 1.293 385 T HN 0.818 nan 8.240 nan 0.000 0.554 386 R N 0.394 120.967 120.500 0.121 0.000 2.712 386 R HA 0.423 4.762 4.340 -0.001 0.000 0.272 386 R C -1.514 174.621 176.300 -0.276 0.000 1.032 386 R CA -0.996 55.047 56.100 -0.095 0.000 0.874 386 R CB 0.405 30.578 30.300 -0.211 0.000 1.256 386 R HN 0.536 nan 8.270 nan 0.000 0.468 387 D N 2.081 122.320 120.400 -0.267 0.000 2.450 387 D HA 0.041 4.681 4.640 -0.001 0.000 0.247 387 D C -1.376 174.564 176.300 -0.600 0.000 1.162 387 D CA -1.140 52.653 54.000 -0.345 0.000 0.879 387 D CB 1.217 41.900 40.800 -0.196 0.000 1.163 387 D HN 0.348 nan 8.370 nan 0.000 0.472 388 P HA 0.030 nan 4.420 nan 0.000 0.253 388 P C 1.043 178.027 177.300 -0.527 0.000 1.260 388 P CA 0.063 62.503 63.100 -1.101 0.000 0.800 388 P CB 0.321 31.257 31.700 -1.273 0.000 1.162 389 T N -0.486 113.874 114.554 -0.323 0.000 2.708 389 T HA -0.103 4.247 4.350 -0.001 0.000 0.266 389 T C 1.730 176.367 174.700 -0.107 0.000 1.037 389 T CA 2.159 64.166 62.100 -0.155 0.000 1.146 389 T CB -0.881 67.940 68.868 -0.079 0.000 0.865 389 T HN 0.198 nan 8.240 nan 0.000 0.435 390 T N 2.061 116.550 114.554 -0.109 0.000 2.770 390 T HA -0.015 4.334 4.350 -0.001 0.000 0.263 390 T C -0.586 174.067 174.700 -0.079 0.000 1.039 390 T CA 0.891 62.954 62.100 -0.062 0.000 1.142 390 T CB -1.180 67.683 68.868 -0.009 0.000 0.868 390 T HN 0.300 nan 8.240 nan 0.000 0.435 391 P HA -0.067 nan 4.420 nan 0.000 0.216 391 P C 1.480 178.811 177.300 0.051 0.000 1.157 391 P CA 1.072 64.165 63.100 -0.013 0.000 0.880 391 P CB -0.194 31.450 31.700 -0.093 0.000 0.791 392 L N -1.638 119.571 121.223 -0.023 0.000 2.093 392 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 392 L C 2.483 179.390 176.870 0.063 0.000 1.085 392 L CA 1.360 56.216 54.840 0.027 0.000 0.755 392 L CB -1.135 40.900 42.059 -0.040 0.000 0.904 392 L HN -0.051 nan 8.230 nan 0.000 0.435 393 A N 0.401 123.245 122.820 0.040 0.000 1.902 393 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 393 A C 2.391 180.042 177.584 0.111 0.000 1.181 393 A CA 1.580 53.660 52.037 0.072 0.000 0.623 393 A CB -0.455 18.563 19.000 0.030 0.000 0.818 393 A HN 0.316 nan 8.150 nan 0.000 0.443 394 R N -0.607 119.931 120.500 0.063 0.000 2.075 394 R HA -0.037 4.303 4.340 -0.001 0.000 0.232 394 R C 2.482 178.933 176.300 0.252 0.000 1.126 394 R CA 1.141 57.297 56.100 0.094 0.000 0.963 394 R CB -0.467 29.831 30.300 -0.003 0.000 0.858 394 R HN 0.510 nan 8.270 nan 0.000 0.435 395 A N 1.336 124.332 122.820 0.293 0.000 1.933 395 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 395 A C 2.374 180.201 177.584 0.404 0.000 1.175 395 A CA 1.713 54.047 52.037 0.495 0.000 0.628 395 A CB -0.659 18.671 19.000 0.550 0.000 0.814 395 A HN 0.403 nan 8.150 nan 0.000 0.444 396 A N -1.209 121.750 122.820 0.233 0.000 1.883 396 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 396 A C 2.110 179.801 177.584 0.177 0.000 1.186 396 A CA 1.463 53.590 52.037 0.150 0.000 0.624 396 A CB -0.935 18.135 19.000 0.117 0.000 0.822 396 A HN 0.822 nan 8.150 nan 0.000 0.444 397 W N 0.905 122.245 121.300 0.067 0.000 2.335 397 W HA -0.180 4.480 4.660 -0.001 0.000 0.311 397 W C 1.828 178.393 176.519 0.078 0.000 1.213 397 W CA 2.104 59.476 57.345 0.045 0.000 1.274 397 W CB -0.432 29.038 29.460 0.017 0.000 1.148 397 W HN 0.562 nan 8.180 nan 0.000 0.498 398 E N -0.861 119.606 120.200 0.444 0.000 2.268 398 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 398 E C 1.965 178.752 176.600 0.311 0.000 0.995 398 E CA 1.631 58.265 56.400 0.390 0.000 0.836 398 E CB -0.266 29.713 29.700 0.464 0.000 0.763 398 E HN 0.077 nan 8.360 nan 0.000 0.491 399 T N 0.259 114.986 114.554 0.289 0.000 2.759 399 T HA -0.157 4.192 4.350 -0.001 0.000 0.269 399 T C 1.722 176.421 174.700 -0.002 0.000 1.042 399 T CA 1.420 63.613 62.100 0.155 0.000 1.140 399 T CB -0.020 68.939 68.868 0.152 0.000 0.864 399 T HN 0.261 nan 8.240 nan 0.000 0.455 400 A N -0.273 122.506 122.820 -0.069 0.000 2.324 400 A HA 0.370 4.690 4.320 -0.001 0.000 0.220 400 A C 0.850 178.314 177.584 -0.199 0.000 1.209 400 A CA -0.159 51.782 52.037 -0.160 0.000 0.918 400 A CB 0.579 19.448 19.000 -0.218 0.000 0.959 400 A HN 0.071 nan 8.150 nan 0.000 0.507 401 R N 0.451 120.856 120.500 -0.158 0.000 2.538 401 R HA 0.348 4.688 4.340 -0.001 0.000 0.292 401 R C -1.669 174.614 176.300 -0.029 0.000 1.008 401 R CA -0.497 55.549 56.100 -0.089 0.000 0.896 401 R CB 0.835 31.144 30.300 0.014 0.000 1.187 401 R HN 0.516 nan 8.270 nan 0.000 0.440 402 H N 0.672 119.818 119.070 0.127 0.000 2.764 402 H HA 0.195 4.751 4.556 -0.001 0.000 0.341 402 H C 0.657 176.061 175.328 0.127 0.000 1.072 402 H CA 0.746 56.870 56.048 0.127 0.000 1.444 402 H CB 0.840 30.650 29.762 0.079 0.000 1.458 402 H HN 0.547 nan 8.280 nan 0.000 0.572 403 T N -0.103 114.590 114.554 0.232 0.000 2.916 403 T HA 0.264 4.614 4.350 -0.001 0.000 0.292 403 T C -1.820 172.916 174.700 0.060 0.000 1.055 403 T CA -2.021 60.160 62.100 0.134 0.000 1.009 403 T CB 1.631 70.570 68.868 0.118 0.000 1.118 403 T HN 0.260 nan 8.240 nan 0.000 0.497 404 P HA 0.138 nan 4.420 nan 0.000 0.218 404 P C -0.154 177.132 177.300 -0.024 0.000 1.149 404 P CA 0.354 63.434 63.100 -0.035 0.000 0.817 404 P CB 0.128 31.798 31.700 -0.049 0.000 0.785 405 V N 1.393 121.289 119.914 -0.030 0.000 2.444 405 V HA 0.205 4.325 4.120 -0.001 0.000 0.294 405 V C -0.231 175.823 176.094 -0.067 0.000 1.022 405 V CA -0.869 61.399 62.300 -0.054 0.000 0.850 405 V CB 1.524 33.311 31.823 -0.060 0.000 0.992 405 V HN 0.005 nan 8.190 nan 0.000 0.426 406 N N 3.308 121.926 118.700 -0.136 0.000 2.448 406 N HA 0.042 4.781 4.740 -0.001 0.000 0.250 406 N C 1.417 176.717 175.510 -0.349 0.000 1.136 406 N CA 0.246 53.142 53.050 -0.256 0.000 0.953 406 N CB 1.581 39.776 38.487 -0.486 0.000 1.251 406 N HN 0.837 nan 8.380 nan 0.000 0.502 407 S N 2.469 118.079 115.700 -0.151 0.000 2.382 407 S HA -0.129 4.340 4.470 -0.001 0.000 0.228 407 S C 1.867 176.425 174.600 -0.070 0.000 1.027 407 S CA 0.303 58.456 58.200 -0.079 0.000 0.991 407 S CB -0.444 62.758 63.200 0.004 0.000 0.823 407 S HN 0.803 nan 8.310 nan 0.000 0.469 408 W N 1.397 122.611 121.300 -0.143 0.000 2.342 408 W HA -0.058 4.601 4.660 -0.001 0.000 0.297 408 W C 1.704 178.143 176.519 -0.133 0.000 1.213 408 W CA 0.620 57.839 57.345 -0.210 0.000 1.251 408 W CB -0.986 27.976 29.460 -0.829 0.000 1.136 408 W HN 0.381 nan 8.180 nan 0.000 0.526 409 L N 2.712 123.328 121.223 -1.011 0.000 2.095 409 L HA 0.240 4.579 4.340 -0.001 0.000 0.204 409 L C 2.683 179.359 176.870 -0.322 0.000 1.080 409 L CA 2.692 56.989 54.840 -0.905 0.000 0.759 409 L CB -1.374 39.882 42.059 -1.337 0.000 0.914 409 L HN 0.031 nan 8.230 nan 0.000 0.439 410 G N -0.395 108.245 108.800 -0.268 0.000 2.440 410 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.218 410 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.218 410 G C 1.470 176.388 174.900 0.030 0.000 1.154 410 G CA 0.845 45.879 45.100 -0.111 0.000 0.767 410 G HN 0.439 nan 8.290 nan 0.000 0.552 411 N N 0.653 119.422 118.700 0.116 0.000 2.120 411 N HA -0.052 4.688 4.740 -0.001 0.000 0.188 411 N C 2.272 177.929 175.510 0.245 0.000 1.024 411 N CA 0.845 54.082 53.050 0.310 0.000 0.852 411 N CB -0.263 38.467 38.487 0.405 0.000 1.003 411 N HN 0.349 nan 8.380 nan 0.000 0.424 412 I N 0.978 121.654 120.570 0.176 0.000 2.208 412 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 412 I C 2.036 178.216 176.117 0.104 0.000 1.097 412 I CA 0.936 62.322 61.300 0.144 0.000 1.363 412 I CB -0.184 37.968 38.000 0.254 0.000 1.051 412 I HN 0.060 nan 8.210 nan 0.000 0.413 413 I N -0.156 120.480 120.570 0.109 0.000 2.142 413 I HA -0.302 3.867 4.170 -0.001 0.000 0.240 413 I C 2.514 178.743 176.117 0.187 0.000 1.078 413 I CA 1.242 62.635 61.300 0.154 0.000 1.343 413 I CB -0.248 37.831 38.000 0.130 0.000 1.046 413 I HN 0.208 nan 8.210 nan 0.000 0.405 414 M N -0.647 118.983 119.600 0.051 0.000 2.200 414 M HA -0.124 4.355 4.480 -0.001 0.000 0.265 414 M C 1.155 177.222 176.300 -0.387 0.000 1.066 414 M CA 1.792 56.991 55.300 -0.168 0.000 1.127 414 M CB -0.816 31.587 32.600 -0.329 0.000 1.379 414 M HN 0.212 nan 8.290 nan 0.000 0.420 415 Y N -0.774 119.525 120.300 -0.002 0.000 2.720 415 Y HA 0.496 5.045 4.550 -0.001 0.000 0.268 415 Y C 1.794 177.450 175.900 -0.407 0.000 1.142 415 Y CA -0.225 57.759 58.100 -0.193 0.000 1.193 415 Y CB -0.881 37.404 38.460 -0.292 0.000 1.176 415 Y HN 0.155 nan 8.280 nan 0.000 0.542 416 A N 1.220 123.846 122.820 -0.322 0.000 1.940 416 A HA -0.214 4.106 4.320 -0.001 0.000 0.221 416 A C -0.377 176.945 177.584 -0.438 0.000 1.190 416 A CA 1.973 53.782 52.037 -0.380 0.000 0.647 416 A CB -1.493 17.272 19.000 -0.392 0.000 0.821 416 A HN 0.289 nan 8.150 nan 0.000 0.457 417 P HA 0.025 nan 4.420 nan 0.000 0.237 417 P C 0.655 177.744 177.300 -0.351 0.000 1.178 417 P CA 1.241 64.100 63.100 -0.401 0.000 0.766 417 P CB -0.496 30.992 31.700 -0.353 0.000 0.876 418 T N -2.768 111.580 114.554 -0.344 0.000 2.868 418 T HA 0.132 4.482 4.350 -0.001 0.000 0.292 418 T C 1.130 175.457 174.700 -0.620 0.000 1.028 418 T CA -0.680 61.188 62.100 -0.385 0.000 1.059 418 T CB 0.583 69.070 68.868 -0.635 0.000 0.991 418 T HN -0.193 nan 8.240 nan 0.000 0.531 419 L N 1.707 122.452 121.223 -0.796 0.000 2.042 419 L HA -0.000 4.339 4.340 -0.001 0.000 0.210 419 L C 2.347 178.919 176.870 -0.496 0.000 1.076 419 L CA 1.761 56.080 54.840 -0.869 0.000 0.749 419 L CB -0.939 40.562 42.059 -0.931 0.000 0.893 419 L HN 0.922 nan 8.230 nan 0.000 0.432 420 W N -1.179 119.929 121.300 -0.319 0.000 2.453 420 W HA 0.164 4.823 4.660 -0.001 0.000 0.289 420 W C 2.017 178.420 176.519 -0.192 0.000 1.215 420 W CA 0.686 57.880 57.345 -0.251 0.000 1.297 420 W CB -1.359 27.983 29.460 -0.197 0.000 1.113 420 W HN 0.280 nan 8.180 nan 0.000 0.551 421 A N 2.010 124.364 122.820 -0.777 0.000 1.898 421 A HA -0.141 4.179 4.320 -0.001 0.000 0.216 421 A C 2.251 179.699 177.584 -0.225 0.000 1.181 421 A CA 1.792 53.547 52.037 -0.471 0.000 0.620 421 A CB -0.779 17.828 19.000 -0.656 0.000 0.819 421 A HN 0.302 nan 8.150 nan 0.000 0.442 422 R N -1.118 119.173 120.500 -0.347 0.000 2.066 422 R HA 0.041 4.380 4.340 -0.001 0.000 0.232 422 R C 2.218 178.394 176.300 -0.207 0.000 1.131 422 R CA 1.694 57.612 56.100 -0.304 0.000 0.955 422 R CB -0.310 29.655 30.300 -0.558 0.000 0.851 422 R HN 0.507 nan 8.270 nan 0.000 0.432 423 M N -0.474 118.904 119.600 -0.370 0.000 2.334 423 M HA 0.029 4.509 4.480 -0.001 0.000 0.266 423 M C 1.836 178.133 176.300 -0.005 0.000 1.082 423 M CA 1.343 56.518 55.300 -0.207 0.000 1.141 423 M CB 0.232 32.632 32.600 -0.332 0.000 1.380 423 M HN 0.114 nan 8.290 nan 0.000 0.440 424 I N -0.770 119.635 120.570 -0.274 0.000 3.196 424 I HA -0.082 4.088 4.170 -0.001 0.000 0.248 424 I C 2.052 178.000 176.117 -0.280 0.000 1.105 424 I CA 0.255 61.106 61.300 -0.748 0.000 1.482 424 I CB -0.224 37.268 38.000 -0.846 0.000 1.400 424 I HN 0.103 nan 8.210 nan 0.000 0.464 425 L N 0.359 121.595 121.223 0.021 0.000 1.989 425 L HA -0.229 4.111 4.340 -0.001 0.000 0.211 425 L C 2.698 179.851 176.870 0.472 0.000 1.071 425 L CA 1.742 56.781 54.840 0.333 0.000 0.749 425 L CB -0.478 41.822 42.059 0.403 0.000 0.890 425 L HN 0.293 nan 8.230 nan 0.000 0.431 426 M N -0.899 118.951 119.600 0.417 0.000 2.067 426 M HA -0.190 4.290 4.480 -0.001 0.000 0.260 426 M C 2.352 179.143 176.300 0.818 0.000 1.069 426 M CA 2.129 57.788 55.300 0.598 0.000 1.117 426 M CB -0.641 32.118 32.600 0.266 0.000 1.334 426 M HN 0.267 nan 8.290 nan 0.000 0.407 427 T N -1.253 113.758 114.554 0.761 0.000 2.652 427 T HA -0.243 4.107 4.350 -0.001 0.000 0.267 427 T C 1.647 176.635 174.700 0.480 0.000 1.039 427 T CA 2.017 64.540 62.100 0.706 0.000 1.153 427 T CB -0.595 68.721 68.868 0.748 0.000 0.863 427 T HN 0.464 nan 8.240 nan 0.000 0.428 428 H N 0.400 119.628 119.070 0.264 0.000 2.293 428 H HA -0.028 4.527 4.556 -0.001 0.000 0.300 428 H C 1.806 176.985 175.328 -0.248 0.000 1.082 428 H CA 1.676 57.735 56.048 0.018 0.000 1.308 428 H CB -0.517 29.099 29.762 -0.244 0.000 1.375 428 H HN 0.355 nan 8.280 nan 0.000 0.495 429 F N -1.112 118.753 119.950 -0.143 0.000 2.259 429 F HA -0.003 4.524 4.527 -0.001 0.000 0.298 429 F C 2.020 177.595 175.800 -0.376 0.000 1.088 429 F CA 0.522 58.186 58.000 -0.561 0.000 1.358 429 F CB -0.561 37.655 39.000 -1.306 0.000 1.040 429 F HN 0.140 nan 8.300 nan 0.000 0.505 430 F N -0.509 119.515 119.950 0.123 0.000 2.234 430 F HA -0.199 4.328 4.527 -0.001 0.000 0.299 430 F C 2.735 178.556 175.800 0.034 0.000 1.087 430 F CA 1.527 59.621 58.000 0.156 0.000 1.340 430 F CB -0.850 38.347 39.000 0.328 0.000 1.031 430 F HN -0.085 nan 8.300 nan 0.000 0.500 431 S N 0.359 116.123 115.700 0.107 0.000 2.355 431 S HA -0.163 4.306 4.470 -0.001 0.000 0.222 431 S C 2.134 176.685 174.600 -0.083 0.000 1.031 431 S CA 1.351 59.546 58.200 -0.008 0.000 0.993 431 S CB -0.448 62.730 63.200 -0.037 0.000 0.859 431 S HN 0.312 nan 8.310 nan 0.000 0.453 432 I N 1.361 121.812 120.570 -0.198 0.000 2.142 432 I HA -0.203 3.967 4.170 -0.001 0.000 0.240 432 I C 2.268 178.341 176.117 -0.074 0.000 1.078 432 I CA 1.244 62.433 61.300 -0.184 0.000 1.343 432 I CB -0.416 37.405 38.000 -0.299 0.000 1.046 432 I HN 0.310 nan 8.210 nan 0.000 0.405 433 L N 0.045 121.230 121.223 -0.064 0.000 2.042 433 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 433 L C 2.579 179.468 176.870 0.032 0.000 1.076 433 L CA 1.319 56.154 54.840 -0.009 0.000 0.749 433 L CB -0.614 41.412 42.059 -0.055 0.000 0.893 433 L HN 0.268 nan 8.230 nan 0.000 0.432 434 L N -0.219 121.035 121.223 0.052 0.000 1.990 434 L HA -0.270 4.069 4.340 -0.001 0.000 0.213 434 L C 2.876 179.763 176.870 0.028 0.000 1.072 434 L CA 1.522 56.398 54.840 0.059 0.000 0.755 434 L CB -0.635 41.460 42.059 0.061 0.000 0.889 434 L HN 0.278 nan 8.230 nan 0.000 0.432 435 A N -1.198 121.625 122.820 0.005 0.000 1.933 435 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 435 A C 2.005 179.594 177.584 0.008 0.000 1.175 435 A CA 1.311 53.346 52.037 -0.003 0.000 0.628 435 A CB -0.250 18.736 19.000 -0.023 0.000 0.814 435 A HN 0.458 nan 8.150 nan 0.000 0.444 436 Q N -1.348 118.462 119.800 0.016 0.000 2.320 436 Q HA 0.252 4.591 4.340 -0.001 0.000 0.201 436 Q C 0.517 176.539 176.000 0.036 0.000 0.910 436 Q CA 0.962 56.783 55.803 0.030 0.000 0.946 436 Q CB -0.587 28.178 28.738 0.045 0.000 1.062 436 Q HN 0.952 nan 8.270 nan 0.000 0.503 437 E N 1.171 121.393 120.200 0.037 0.000 2.269 437 E HA -0.263 4.086 4.350 -0.001 0.000 0.223 437 E C 0.337 176.968 176.600 0.051 0.000 1.244 437 E CA 1.397 57.823 56.400 0.044 0.000 0.713 437 E CB -2.833 26.888 29.700 0.036 0.000 1.178 437 E HN 0.622 nan 8.360 nan 0.000 0.370 438 Q N -0.931 118.905 119.800 0.059 0.000 2.155 438 Q HA 0.346 4.686 4.340 -0.001 0.000 0.220 438 Q C 1.783 177.829 176.000 0.077 0.000 0.819 438 Q CA -0.344 55.499 55.803 0.067 0.000 1.032 438 Q CB 0.425 29.208 28.738 0.075 0.000 1.151 438 Q HN 0.572 nan 8.270 nan 0.000 0.487 439 L N 0.700 121.973 121.223 0.084 0.000 2.187 439 L HA -0.166 4.173 4.340 -0.001 0.000 0.213 439 L C 1.508 178.444 176.870 0.110 0.000 1.100 439 L CA 1.880 56.785 54.840 0.108 0.000 0.765 439 L CB -0.564 41.590 42.059 0.158 0.000 0.904 439 L HN 0.394 nan 8.230 nan 0.000 0.437 440 E N -0.370 119.884 120.200 0.091 0.000 2.479 440 E HA -0.023 4.327 4.350 -0.001 0.000 0.193 440 E C 0.732 177.376 176.600 0.072 0.000 1.049 440 E CA -0.124 56.325 56.400 0.082 0.000 0.870 440 E CB 0.399 30.140 29.700 0.069 0.000 0.944 440 E HN 0.285 nan 8.360 nan 0.000 0.492 441 K N 1.975 122.418 120.400 0.073 0.000 2.276 441 K HA 0.326 4.646 4.320 -0.001 0.000 0.285 441 K C -0.486 176.156 176.600 0.071 0.000 1.062 441 K CA -0.272 56.054 56.287 0.066 0.000 0.918 441 K CB 0.860 33.398 32.500 0.062 0.000 1.055 441 K HN -0.107 nan 8.250 nan 0.000 0.477 442 A N 5.229 128.088 122.820 0.065 0.000 2.477 442 A HA 0.313 4.632 4.320 -0.001 0.000 0.246 442 A C -0.494 177.124 177.584 0.057 0.000 1.078 442 A CA -0.190 51.886 52.037 0.065 0.000 0.770 442 A CB 0.130 19.173 19.000 0.072 0.000 1.011 442 A HN 0.775 nan 8.150 nan 0.000 0.494 443 L N 1.899 123.141 121.223 0.032 0.000 2.362 443 L HA 0.375 4.715 4.340 -0.001 0.000 0.271 443 L C -0.830 176.029 176.870 -0.019 0.000 1.002 443 L CA -1.025 53.817 54.840 0.004 0.000 0.818 443 L CB 2.046 44.079 42.059 -0.043 0.000 1.298 443 L HN 0.584 nan 8.230 nan 0.000 0.420 444 D N 1.511 121.909 120.400 -0.003 0.000 2.308 444 D HA 0.397 5.036 4.640 -0.001 0.000 0.251 444 D C -0.318 175.935 176.300 -0.078 0.000 1.127 444 D CA -0.033 53.972 54.000 0.007 0.000 0.876 444 D CB 1.445 42.284 40.800 0.065 0.000 1.176 444 D HN 0.580 nan 8.370 nan 0.000 0.446 445 C N 0.748 119.997 119.300 -0.084 0.000 3.259 445 C HA 0.706 5.166 4.460 -0.001 0.000 0.328 445 C C -0.866 174.084 174.990 -0.067 0.000 1.425 445 C CA -0.821 58.121 59.018 -0.127 0.000 1.465 445 C CB 1.555 29.165 27.740 -0.218 0.000 1.890 445 C HN 0.496 nan 8.230 nan 0.000 0.450 446 Q N 0.310 120.065 119.800 -0.075 0.000 2.356 446 Q HA 0.751 5.091 4.340 -0.001 0.000 0.270 446 Q C -1.547 174.416 176.000 -0.063 0.000 1.058 446 Q CA -0.325 55.460 55.803 -0.030 0.000 0.802 446 Q CB 2.459 31.186 28.738 -0.019 0.000 1.303 446 Q HN 0.724 nan 8.270 nan 0.000 0.444 447 I N 2.388 122.925 120.570 -0.055 0.000 2.478 447 I HA 0.199 4.369 4.170 -0.001 0.000 0.287 447 I C -1.007 175.113 176.117 0.004 0.000 1.042 447 I CA -0.737 60.446 61.300 -0.196 0.000 1.067 447 I CB 1.255 38.866 38.000 -0.649 0.000 1.233 447 I HN 0.619 nan 8.210 nan 0.000 0.431 448 Y N 5.147 125.492 120.300 0.074 0.000 3.396 448 Y HA -0.261 4.288 4.550 -0.001 0.000 0.214 448 Y C 1.528 177.399 175.900 -0.048 0.000 1.203 448 Y CA 1.139 59.267 58.100 0.048 0.000 1.401 448 Y CB -2.007 36.484 38.460 0.053 0.000 1.409 448 Y HN 0.999 nan 8.280 nan 0.000 0.594 449 G N -2.190 106.696 108.800 0.143 0.000 2.267 449 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.257 449 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.257 449 G C 0.515 175.443 174.900 0.046 0.000 0.998 449 G CA 0.221 45.366 45.100 0.075 0.000 0.620 449 G HN 1.556 nan 8.290 nan 0.000 0.529 450 A N -0.470 122.391 122.820 0.067 0.000 2.316 450 A HA 0.625 4.944 4.320 -0.001 0.000 0.284 450 A C 0.610 178.045 177.584 -0.249 0.000 1.115 450 A CA 0.457 52.400 52.037 -0.157 0.000 0.812 450 A CB 0.711 19.595 19.000 -0.193 0.000 1.064 450 A HN 1.017 nan 8.150 nan 0.000 0.489 451 C N 1.164 120.201 119.300 -0.439 0.000 2.350 451 C HA 0.667 5.126 4.460 -0.001 0.000 0.348 451 C C -0.686 173.860 174.990 -0.740 0.000 1.260 451 C CA -0.186 58.633 59.018 -0.331 0.000 1.966 451 C CB -1.080 26.625 27.740 -0.059 0.000 2.380 451 C HN 0.703 nan 8.230 nan 0.000 0.535 452 Y N 0.830 120.930 120.300 -0.332 0.000 2.442 452 Y HA 0.441 4.990 4.550 -0.001 0.000 0.344 452 Y C 0.306 176.068 175.900 -0.230 0.000 0.976 452 Y CA -0.318 57.541 58.100 -0.403 0.000 1.040 452 Y CB 1.702 39.866 38.460 -0.493 0.000 1.228 452 Y HN 0.569 nan 8.280 nan 0.000 0.451 453 S N 4.201 119.867 115.700 -0.056 0.000 2.438 453 S HA 0.715 5.184 4.470 -0.001 0.000 0.293 453 S C -0.900 173.744 174.600 0.073 0.000 1.141 453 S CA -0.270 57.963 58.200 0.054 0.000 1.080 453 S CB -0.249 63.026 63.200 0.126 0.000 0.978 453 S HN 0.552 nan 8.310 nan 0.000 0.479 454 I N 3.957 124.561 120.570 0.056 0.000 2.533 454 I HA 0.327 4.496 4.170 -0.001 0.000 0.290 454 I C -0.309 175.844 176.117 0.058 0.000 1.056 454 I CA -0.557 60.787 61.300 0.074 0.000 1.057 454 I CB 2.207 40.245 38.000 0.063 0.000 1.240 454 I HN 0.582 nan 8.210 nan 0.000 0.423 455 E N 7.309 127.559 120.200 0.083 0.000 2.194 455 E HA 0.157 4.507 4.350 -0.001 0.000 0.284 455 E C -1.768 174.901 176.600 0.115 0.000 1.035 455 E CA -1.552 54.901 56.400 0.090 0.000 0.836 455 E CB 1.032 30.786 29.700 0.090 0.000 1.070 455 E HN 0.315 nan 8.360 nan 0.000 0.401 456 P HA -0.206 nan 4.420 nan 0.000 0.217 456 P C 1.062 178.547 177.300 0.309 0.000 1.148 456 P CA 1.135 64.343 63.100 0.180 0.000 0.834 456 P CB 0.218 31.967 31.700 0.082 0.000 0.783 457 L N -0.877 120.495 121.223 0.250 0.000 2.353 457 L HA -0.137 4.202 4.340 -0.001 0.000 0.220 457 L C 1.251 178.231 176.870 0.184 0.000 1.133 457 L CA 1.218 56.210 54.840 0.254 0.000 0.798 457 L CB -0.661 41.507 42.059 0.180 0.000 0.922 457 L HN -0.008 nan 8.230 nan 0.000 0.445 458 D N -0.370 120.122 120.400 0.154 0.000 2.340 458 D HA -0.004 4.635 4.640 -0.001 0.000 0.220 458 D C 2.225 178.596 176.300 0.118 0.000 1.039 458 D CA 0.288 54.350 54.000 0.103 0.000 0.866 458 D CB 0.272 41.118 40.800 0.076 0.000 0.913 458 D HN 0.284 nan 8.370 nan 0.000 0.523 459 L N 0.972 122.314 121.223 0.198 0.000 2.043 459 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 459 L C -0.455 176.530 176.870 0.192 0.000 1.075 459 L CA 1.578 56.552 54.840 0.224 0.000 0.752 459 L CB -1.412 40.859 42.059 0.354 0.000 0.891 459 L HN 0.062 nan 8.230 nan 0.000 0.432 460 P HA -0.188 nan 4.420 nan 0.000 0.215 460 P C 1.364 178.731 177.300 0.112 0.000 1.153 460 P CA 1.251 64.412 63.100 0.101 0.000 0.853 460 P CB 0.050 31.631 31.700 -0.198 0.000 0.788 461 Q N -0.764 119.032 119.800 -0.006 0.000 2.050 461 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 461 Q C 2.209 178.190 176.000 -0.032 0.000 0.980 461 Q CA 1.308 57.088 55.803 -0.039 0.000 0.840 461 Q CB -0.945 27.755 28.738 -0.063 0.000 0.898 461 Q HN 0.246 nan 8.270 nan 0.000 0.424 462 I N 0.011 120.569 120.570 -0.020 0.000 2.226 462 I HA -0.272 3.898 4.170 -0.001 0.000 0.245 462 I C 1.990 178.096 176.117 -0.019 0.000 1.100 462 I CA 1.157 62.409 61.300 -0.080 0.000 1.374 462 I CB -0.220 37.770 38.000 -0.017 0.000 1.057 462 I HN 0.199 nan 8.210 nan 0.000 0.413 463 I N 0.330 120.957 120.570 0.095 0.000 2.252 463 I HA -0.281 3.888 4.170 -0.001 0.000 0.245 463 I C 2.632 178.740 176.117 -0.015 0.000 1.102 463 I CA 1.358 62.725 61.300 0.112 0.000 1.385 463 I CB -0.435 37.637 38.000 0.120 0.000 1.064 463 I HN 0.286 nan 8.210 nan 0.000 0.414 464 E N 1.164 121.384 120.200 0.032 0.000 2.058 464 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 464 E C 2.409 178.979 176.600 -0.049 0.000 0.997 464 E CA 1.171 57.574 56.400 0.005 0.000 0.801 464 E CB 0.091 29.863 29.700 0.121 0.000 0.746 464 E HN 0.259 nan 8.360 nan 0.000 0.450 465 R N 0.199 120.655 120.500 -0.073 0.000 2.081 465 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 465 R C 2.494 178.707 176.300 -0.146 0.000 1.131 465 R CA 1.037 57.067 56.100 -0.118 0.000 0.960 465 R CB -0.584 29.612 30.300 -0.174 0.000 0.856 465 R HN 0.361 nan 8.270 nan 0.000 0.436 466 L N -1.030 120.079 121.223 -0.191 0.000 2.127 466 L HA -0.064 4.275 4.340 -0.001 0.000 0.203 466 L C 1.987 178.593 176.870 -0.439 0.000 1.080 466 L CA 1.017 55.657 54.840 -0.334 0.000 0.768 466 L CB -0.387 41.397 42.059 -0.458 0.000 0.924 466 L HN 0.251 nan 8.230 nan 0.000 0.444 467 H N -0.702 118.283 119.070 -0.142 0.000 2.885 467 H HA 0.289 4.844 4.556 -0.001 0.000 0.260 467 H C 1.042 176.272 175.328 -0.164 0.000 0.985 467 H CA 0.781 56.731 56.048 -0.164 0.000 1.210 467 H CB 0.983 30.617 29.762 -0.213 0.000 1.466 467 H HN 0.307 nan 8.280 nan 0.000 0.493 468 G N 0.921 109.682 108.800 -0.064 0.000 2.796 468 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.571 468 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.571 468 G C 0.669 175.502 174.900 -0.111 0.000 1.370 468 G CA -0.128 44.937 45.100 -0.059 0.000 0.856 468 G HN 0.233 nan 8.290 nan 0.000 0.538 469 L N 0.950 122.170 121.223 -0.004 0.000 2.275 469 L HA -0.041 4.299 4.340 -0.001 0.000 0.215 469 L C 3.144 180.030 176.870 0.027 0.000 1.119 469 L CA 1.993 56.897 54.840 0.105 0.000 0.790 469 L CB -0.428 41.762 42.059 0.218 0.000 0.919 469 L HN 0.881 nan 8.230 nan 0.000 0.443 470 S N -0.129 115.545 115.700 -0.044 0.000 2.447 470 S HA -0.104 4.365 4.470 -0.001 0.000 0.233 470 S C 2.109 176.625 174.600 -0.139 0.000 1.006 470 S CA 0.674 58.842 58.200 -0.054 0.000 0.957 470 S CB -0.188 62.977 63.200 -0.059 0.000 0.773 470 S HN 0.342 nan 8.310 nan 0.000 0.507 471 A N 0.867 123.513 122.820 -0.290 0.000 2.024 471 A HA 0.120 4.440 4.320 -0.001 0.000 0.220 471 A C 1.500 178.903 177.584 -0.302 0.000 1.164 471 A CA 1.087 52.881 52.037 -0.405 0.000 0.643 471 A CB -0.858 17.788 19.000 -0.591 0.000 0.806 471 A HN 0.608 nan 8.150 nan 0.000 0.451 472 F N -0.676 119.288 119.950 0.024 0.000 2.765 472 F HA 0.203 4.730 4.527 -0.001 0.000 0.302 472 F C 1.802 177.650 175.800 0.079 0.000 1.111 472 F CA 0.516 58.558 58.000 0.071 0.000 1.359 472 F CB 0.063 39.137 39.000 0.125 0.000 1.097 472 F HN 0.093 nan 8.300 nan 0.000 0.577 473 S N -0.897 114.907 115.700 0.175 0.000 2.687 473 S HA 0.294 4.764 4.470 -0.001 0.000 0.247 473 S C 0.529 175.198 174.600 0.115 0.000 1.050 473 S CA -0.304 57.987 58.200 0.151 0.000 1.063 473 S CB 0.451 63.726 63.200 0.125 0.000 1.039 473 S HN -0.011 nan 8.310 nan 0.000 0.580 474 L N 3.570 124.779 121.223 -0.023 0.000 2.514 474 L HA 0.224 4.563 4.340 -0.001 0.000 0.280 474 L C 0.444 177.212 176.870 -0.170 0.000 1.223 474 L CA 0.527 55.234 54.840 -0.221 0.000 0.864 474 L CB 0.050 41.830 42.059 -0.465 0.000 1.118 474 L HN 0.546 nan 8.230 nan 0.000 0.494 475 H N -1.380 117.472 119.070 -0.364 0.000 2.918 475 H HA 0.340 4.896 4.556 -0.001 0.000 0.303 475 H C -0.251 174.908 175.328 -0.282 0.000 1.380 475 H CA -0.830 55.066 56.048 -0.254 0.000 1.134 475 H CB 1.015 30.742 29.762 -0.058 0.000 1.842 475 H HN 0.365 nan 8.280 nan 0.000 0.533 476 S N -0.019 115.659 115.700 -0.036 0.000 3.484 476 S HA -0.226 4.243 4.470 -0.001 0.000 0.384 476 S C -0.709 173.874 174.600 -0.027 0.000 0.932 476 S CA 0.432 58.609 58.200 -0.038 0.000 1.293 476 S CB -2.192 60.876 63.200 -0.220 0.000 0.919 476 S HN 0.495 nan 8.310 nan 0.000 0.540 477 Y N 1.610 121.938 120.300 0.047 0.000 2.426 477 Y HA 0.262 4.811 4.550 -0.001 0.000 0.344 477 Y C 1.374 177.329 175.900 0.093 0.000 1.256 477 Y CA 0.390 58.534 58.100 0.074 0.000 1.451 477 Y CB 0.381 38.874 38.460 0.056 0.000 1.342 477 Y HN 0.520 nan 8.280 nan 0.000 0.600 478 S N 1.643 117.506 115.700 0.271 0.000 2.572 478 S HA 0.112 4.582 4.470 -0.001 0.000 0.279 478 S C -2.003 172.685 174.600 0.146 0.000 1.341 478 S CA -1.117 57.185 58.200 0.169 0.000 1.043 478 S CB 1.187 64.468 63.200 0.134 0.000 0.887 478 S HN 0.440 nan 8.310 nan 0.000 0.516 479 P HA -0.009 nan 4.420 nan 0.000 0.216 479 P C 1.732 179.075 177.300 0.071 0.000 1.150 479 P CA 1.656 64.805 63.100 0.082 0.000 0.837 479 P CB -0.442 31.296 31.700 0.063 0.000 0.786 480 G N -0.133 108.707 108.800 0.066 0.000 2.418 480 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.217 480 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.217 480 G C 1.676 176.609 174.900 0.055 0.000 1.158 480 G CA 0.936 46.066 45.100 0.051 0.000 0.771 480 G HN 0.257 nan 8.290 nan 0.000 0.545 481 E N 0.746 120.999 120.200 0.087 0.000 2.028 481 E HA -0.055 4.294 4.350 -0.001 0.000 0.191 481 E C 2.469 179.116 176.600 0.077 0.000 0.988 481 E CA 0.806 57.268 56.400 0.104 0.000 0.799 481 E CB -0.454 29.364 29.700 0.196 0.000 0.755 481 E HN 0.480 nan 8.360 nan 0.000 0.447 482 I N 1.037 121.658 120.570 0.086 0.000 2.118 482 I HA -0.360 3.810 4.170 -0.001 0.000 0.241 482 I C 2.021 178.161 176.117 0.038 0.000 1.070 482 I CA 1.495 62.827 61.300 0.053 0.000 1.327 482 I CB -0.506 37.539 38.000 0.076 0.000 1.034 482 I HN 0.181 nan 8.210 nan 0.000 0.405 483 N N 0.515 119.240 118.700 0.041 0.000 2.166 483 N HA -0.196 4.543 4.740 -0.001 0.000 0.186 483 N C 1.887 177.405 175.510 0.014 0.000 1.019 483 N CA 1.106 54.173 53.050 0.030 0.000 0.856 483 N CB -0.460 38.046 38.487 0.031 0.000 0.993 483 N HN 0.380 nan 8.380 nan 0.000 0.426 484 R N 1.023 121.527 120.500 0.007 0.000 2.081 484 R HA -0.049 4.291 4.340 -0.001 0.000 0.235 484 R C 1.892 178.166 176.300 -0.043 0.000 1.131 484 R CA 1.022 57.110 56.100 -0.020 0.000 0.960 484 R CB -0.197 30.084 30.300 -0.031 0.000 0.856 484 R HN -0.057 nan 8.270 nan 0.000 0.436 485 V N 1.165 121.060 119.914 -0.032 0.000 2.237 485 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 485 V C 2.523 178.605 176.094 -0.019 0.000 1.046 485 V CA 2.061 64.335 62.300 -0.044 0.000 1.007 485 V CB -0.884 30.940 31.823 0.002 0.000 0.638 485 V HN 0.594 nan 8.190 nan 0.000 0.445 486 A N -0.706 122.118 122.820 0.008 0.000 1.940 486 A HA -0.260 4.059 4.320 -0.001 0.000 0.219 486 A C 2.565 180.160 177.584 0.020 0.000 1.176 486 A CA 2.368 54.421 52.037 0.026 0.000 0.631 486 A CB -0.825 18.197 19.000 0.037 0.000 0.814 486 A HN 0.508 nan 8.150 nan 0.000 0.446 487 S N -1.294 114.411 115.700 0.009 0.000 2.368 487 S HA -0.208 4.261 4.470 -0.001 0.000 0.225 487 S C 2.077 176.679 174.600 0.003 0.000 1.030 487 S CA 1.556 59.761 58.200 0.009 0.000 0.999 487 S CB -0.957 62.245 63.200 0.004 0.000 0.844 487 S HN 0.760 nan 8.310 nan 0.000 0.459 488 C N 1.504 120.790 119.300 -0.024 0.000 2.413 488 C HA 0.022 4.481 4.460 -0.001 0.000 0.276 488 C C 2.496 177.476 174.990 -0.016 0.000 1.248 488 C CA 0.971 59.966 59.018 -0.039 0.000 1.742 488 C CB -1.749 25.928 27.740 -0.105 0.000 2.017 488 C HN 0.693 nan 8.230 nan 0.000 0.481 489 L N 0.300 121.520 121.223 -0.004 0.000 2.017 489 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 489 L C 3.008 179.885 176.870 0.012 0.000 1.073 489 L CA 1.753 56.605 54.840 0.019 0.000 0.745 489 L CB -0.934 41.163 42.059 0.063 0.000 0.894 489 L HN 0.329 nan 8.230 nan 0.000 0.432 490 R N 0.452 120.969 120.500 0.029 0.000 2.091 490 R HA -0.215 4.124 4.340 -0.001 0.000 0.238 490 R C 2.382 178.738 176.300 0.094 0.000 1.136 490 R CA 1.674 57.804 56.100 0.050 0.000 0.959 490 R CB -0.315 30.019 30.300 0.056 0.000 0.856 490 R HN 0.318 nan 8.270 nan 0.000 0.437 491 K N 0.491 120.942 120.400 0.085 0.000 2.026 491 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 491 K C 1.513 178.248 176.600 0.226 0.000 1.048 491 K CA 1.220 57.589 56.287 0.136 0.000 0.929 491 K CB 0.091 32.636 32.500 0.076 0.000 0.713 491 K HN 0.016 nan 8.250 nan 0.000 0.439 492 L N 0.184 121.456 121.223 0.082 0.000 2.509 492 L HA 0.195 4.535 4.340 -0.001 0.000 0.222 492 L C 1.050 177.749 176.870 -0.284 0.000 1.123 492 L CA 1.407 56.267 54.840 0.034 0.000 0.856 492 L CB -0.175 41.897 42.059 0.021 0.000 0.985 492 L HN 0.543 nan 8.230 nan 0.000 0.456 493 G N 0.012 108.482 108.800 -0.550 0.000 2.225 493 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.264 493 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.264 493 G C 0.176 174.911 174.900 -0.275 0.000 1.060 493 G CA 0.255 44.875 45.100 -0.799 0.000 0.833 493 G HN 0.126 nan 8.290 nan 0.000 0.498 494 V N 0.738 120.595 119.914 -0.096 0.000 2.546 494 V HA 0.397 4.516 4.120 -0.001 0.000 0.284 494 V C -1.180 174.987 176.094 0.121 0.000 1.050 494 V CA -1.492 60.852 62.300 0.073 0.000 0.981 494 V CB 1.406 33.303 31.823 0.124 0.000 0.990 494 V HN 0.184 nan 8.190 nan 0.000 0.474 495 P HA 0.131 nan 4.420 nan 0.000 0.267 495 P C -2.461 174.962 177.300 0.204 0.000 1.200 495 P CA -0.784 62.348 63.100 0.054 0.000 0.772 495 P CB -0.182 31.388 31.700 -0.216 0.000 0.855 496 P HA 0.029 nan 4.420 nan 0.000 0.270 496 P C 0.973 178.438 177.300 0.275 0.000 1.223 496 P CA 0.067 63.266 63.100 0.165 0.000 0.785 496 P CB 0.701 32.452 31.700 0.084 0.000 0.923 497 L N 1.170 122.566 121.223 0.289 0.000 2.081 497 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 497 L C 2.861 179.913 176.870 0.304 0.000 1.080 497 L CA 2.035 57.080 54.840 0.341 0.000 0.754 497 L CB -0.910 41.262 42.059 0.187 0.000 0.893 497 L HN 0.487 nan 8.230 nan 0.000 0.433 498 R N -0.181 120.434 120.500 0.191 0.000 2.105 498 R HA -0.125 4.214 4.340 -0.001 0.000 0.239 498 R C 1.969 178.349 176.300 0.133 0.000 1.135 498 R CA 1.564 57.757 56.100 0.155 0.000 0.967 498 R CB -1.113 29.241 30.300 0.089 0.000 0.861 498 R HN 0.142 nan 8.270 nan 0.000 0.442 499 V N 0.497 120.440 119.914 0.048 0.000 2.307 499 V HA -0.190 3.930 4.120 -0.001 0.000 0.245 499 V C 2.013 178.066 176.094 -0.068 0.000 1.045 499 V CA 1.861 64.103 62.300 -0.097 0.000 1.024 499 V CB -0.704 30.936 31.823 -0.305 0.000 0.651 499 V HN 0.395 nan 8.190 nan 0.000 0.449 500 W N 0.144 121.547 121.300 0.171 0.000 2.363 500 W HA -0.126 4.534 4.660 -0.001 0.000 0.296 500 W C 2.745 179.463 176.519 0.332 0.000 1.212 500 W CA 1.547 59.032 57.345 0.232 0.000 1.260 500 W CB -0.306 29.285 29.460 0.219 0.000 1.131 500 W HN 0.057 nan 8.180 nan 0.000 0.530 501 R N -0.300 120.523 120.500 0.538 0.000 2.073 501 R HA -0.234 4.105 4.340 -0.001 0.000 0.234 501 R C 2.090 178.527 176.300 0.228 0.000 1.134 501 R CA 2.166 58.557 56.100 0.484 0.000 0.952 501 R CB -0.724 29.832 30.300 0.427 0.000 0.850 501 R HN 0.240 nan 8.270 nan 0.000 0.433 502 H N 0.271 119.400 119.070 0.099 0.000 2.290 502 H HA -0.054 4.501 4.556 -0.001 0.000 0.298 502 H C 2.073 177.389 175.328 -0.020 0.000 1.087 502 H CA 2.281 58.335 56.048 0.009 0.000 1.291 502 H CB 0.095 29.845 29.762 -0.020 0.000 1.369 502 H HN 0.139 nan 8.280 nan 0.000 0.492 503 R N -0.211 120.312 120.500 0.038 0.000 2.105 503 R HA -0.103 4.236 4.340 -0.001 0.000 0.239 503 R C 2.521 178.780 176.300 -0.067 0.000 1.135 503 R CA 1.017 57.099 56.100 -0.030 0.000 0.967 503 R CB -0.346 29.964 30.300 0.016 0.000 0.861 503 R HN 0.401 nan 8.270 nan 0.000 0.442 504 A N 1.142 123.970 122.820 0.014 0.000 1.969 504 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 504 A C 2.081 179.417 177.584 -0.413 0.000 1.169 504 A CA 1.086 53.019 52.037 -0.175 0.000 0.635 504 A CB -0.310 18.687 19.000 -0.006 0.000 0.810 504 A HN 0.204 nan 8.150 nan 0.000 0.445 505 R N -0.592 119.714 120.500 -0.324 0.000 2.081 505 R HA -0.116 4.223 4.340 -0.001 0.000 0.235 505 R C 2.679 178.797 176.300 -0.304 0.000 1.131 505 R CA 1.553 57.463 56.100 -0.317 0.000 0.960 505 R CB -0.335 29.804 30.300 -0.269 0.000 0.856 505 R HN 0.586 nan 8.270 nan 0.000 0.436 506 S N 0.059 115.579 115.700 -0.301 0.000 2.345 506 S HA -0.107 4.362 4.470 -0.001 0.000 0.220 506 S C 2.037 176.487 174.600 -0.250 0.000 1.031 506 S CA 1.396 59.449 58.200 -0.246 0.000 0.996 506 S CB -0.219 62.851 63.200 -0.216 0.000 0.882 506 S HN 0.121 nan 8.310 nan 0.000 0.445 507 V N 2.638 122.364 119.914 -0.313 0.000 2.282 507 V HA -0.198 3.922 4.120 -0.001 0.000 0.249 507 V C 2.766 178.576 176.094 -0.473 0.000 1.057 507 V CA 2.387 64.456 62.300 -0.384 0.000 1.032 507 V CB -0.914 30.610 31.823 -0.497 0.000 0.645 507 V HN 0.517 nan 8.190 nan 0.000 0.447 508 R N 0.119 120.252 120.500 -0.612 0.000 2.094 508 R HA -0.222 4.117 4.340 -0.001 0.000 0.239 508 R C 2.309 178.478 176.300 -0.219 0.000 1.137 508 R CA 1.966 57.821 56.100 -0.409 0.000 0.943 508 R CB -0.513 29.583 30.300 -0.340 0.000 0.850 508 R HN 0.497 nan 8.270 nan 0.000 0.433 509 A N 0.834 123.532 122.820 -0.203 0.000 1.902 509 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 509 A C 2.193 179.715 177.584 -0.103 0.000 1.181 509 A CA 1.467 53.422 52.037 -0.136 0.000 0.623 509 A CB -0.432 18.488 19.000 -0.133 0.000 0.818 509 A HN 0.375 nan 8.150 nan 0.000 0.443 510 R N -0.618 119.814 120.500 -0.113 0.000 2.081 510 R HA -0.042 4.298 4.340 -0.001 0.000 0.235 510 R C 2.056 178.333 176.300 -0.038 0.000 1.131 510 R CA 1.489 57.547 56.100 -0.070 0.000 0.960 510 R CB -0.490 29.768 30.300 -0.070 0.000 0.856 510 R HN 0.509 nan 8.270 nan 0.000 0.436 511 L N 0.424 121.619 121.223 -0.047 0.000 2.056 511 L HA -0.177 4.163 4.340 -0.001 0.000 0.207 511 L C 2.323 179.194 176.870 0.001 0.000 1.078 511 L CA 1.130 55.973 54.840 0.005 0.000 0.749 511 L CB -0.368 41.697 42.059 0.010 0.000 0.901 511 L HN 0.212 nan 8.230 nan 0.000 0.433 512 L N -0.998 120.207 121.223 -0.029 0.000 2.083 512 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 512 L C 2.643 179.503 176.870 -0.016 0.000 1.083 512 L CA 0.963 55.788 54.840 -0.025 0.000 0.752 512 L CB -0.452 41.579 42.059 -0.047 0.000 0.899 512 L HN 0.199 nan 8.230 nan 0.000 0.433 513 S N -0.744 114.944 115.700 -0.021 0.000 2.419 513 S HA -0.169 4.300 4.470 -0.001 0.000 0.233 513 S C 1.851 176.451 174.600 0.000 0.000 1.016 513 S CA 0.947 59.138 58.200 -0.014 0.000 0.974 513 S CB -0.126 63.062 63.200 -0.021 0.000 0.786 513 S HN 0.459 nan 8.310 nan 0.000 0.492 514 Q N 0.386 120.193 119.800 0.012 0.000 2.378 514 Q HA 0.168 4.507 4.340 -0.001 0.000 0.205 514 Q C 1.372 177.388 176.000 0.026 0.000 0.954 514 Q CA 0.552 56.370 55.803 0.025 0.000 0.901 514 Q CB -0.334 28.431 28.738 0.045 0.000 0.981 514 Q HN 0.553 nan 8.270 nan 0.000 0.483 515 G N 0.093 108.905 108.800 0.021 0.000 2.804 515 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.230 515 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.230 515 G C 0.444 175.364 174.900 0.033 0.000 1.386 515 G CA -0.036 45.077 45.100 0.022 0.000 0.875 515 G HN 0.686 nan 8.290 nan 0.000 0.557 516 G N -0.667 108.151 108.800 0.031 0.000 2.582 516 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.288 516 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.288 516 G C 1.129 176.057 174.900 0.045 0.000 1.247 516 G CA 1.430 46.552 45.100 0.036 0.000 0.972 516 G HN 1.623 nan 8.290 nan 0.000 0.557 517 R N 0.316 120.847 120.500 0.052 0.000 2.127 517 R HA 0.105 4.445 4.340 -0.001 0.000 0.238 517 R C 3.203 179.555 176.300 0.087 0.000 1.134 517 R CA 2.122 58.260 56.100 0.063 0.000 0.975 517 R CB -0.557 29.785 30.300 0.070 0.000 0.865 517 R HN 0.724 nan 8.270 nan 0.000 0.447 518 A N 1.337 124.216 122.820 0.098 0.000 1.902 518 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 518 A C 2.395 180.028 177.584 0.081 0.000 1.181 518 A CA 1.652 53.762 52.037 0.121 0.000 0.623 518 A CB -0.705 18.366 19.000 0.118 0.000 0.818 518 A HN 0.390 nan 8.150 nan 0.000 0.443 519 A N -0.964 121.890 122.820 0.057 0.000 1.933 519 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 519 A C 2.280 179.893 177.584 0.048 0.000 1.175 519 A CA 2.240 54.298 52.037 0.036 0.000 0.628 519 A CB -1.253 17.762 19.000 0.025 0.000 0.814 519 A HN 0.439 nan 8.150 nan 0.000 0.444 520 T N -0.499 114.096 114.554 0.069 0.000 2.684 520 T HA -0.217 4.132 4.350 -0.001 0.000 0.267 520 T C 1.912 176.673 174.700 0.102 0.000 1.036 520 T CA 1.644 63.815 62.100 0.117 0.000 1.148 520 T CB -0.784 68.119 68.868 0.057 0.000 0.863 520 T HN 0.592 nan 8.240 nan 0.000 0.436 521 C N 1.418 120.741 119.300 0.038 0.000 2.413 521 C HA -0.009 4.450 4.460 -0.001 0.000 0.276 521 C C 3.111 178.088 174.990 -0.021 0.000 1.248 521 C CA 0.506 59.493 59.018 -0.051 0.000 1.742 521 C CB -1.621 26.061 27.740 -0.097 0.000 2.017 521 C HN 0.742 nan 8.230 nan 0.000 0.481 522 G N 0.160 108.985 108.800 0.042 0.000 2.421 522 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.216 522 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.216 522 G C 1.613 176.535 174.900 0.038 0.000 1.171 522 G CA 1.225 46.375 45.100 0.084 0.000 0.775 522 G HN 0.649 nan 8.290 nan 0.000 0.543 523 K N -0.818 119.566 120.400 -0.026 0.000 1.985 523 K HA -0.087 4.232 4.320 -0.001 0.000 0.210 523 K C 2.282 178.714 176.600 -0.281 0.000 1.047 523 K CA 1.293 57.491 56.287 -0.149 0.000 0.932 523 K CB -0.318 32.087 32.500 -0.158 0.000 0.716 523 K HN 0.381 nan 8.250 nan 0.000 0.439 524 Y N 0.858 120.965 120.300 -0.322 0.000 2.206 524 Y HA -0.031 4.518 4.550 -0.001 0.000 0.292 524 Y C 2.076 177.624 175.900 -0.587 0.000 1.123 524 Y CA 0.963 58.674 58.100 -0.648 0.000 1.142 524 Y CB -0.111 37.696 38.460 -1.088 0.000 1.006 524 Y HN -0.017 nan 8.280 nan 0.000 0.518 525 L N -1.858 119.193 121.223 -0.288 0.000 2.141 525 L HA -0.139 4.201 4.340 -0.001 0.000 0.209 525 L C 0.800 177.429 176.870 -0.403 0.000 1.094 525 L CA 1.266 55.912 54.840 -0.324 0.000 0.763 525 L CB -0.346 41.340 42.059 -0.622 0.000 0.908 525 L HN 0.174 nan 8.230 nan 0.000 0.437 526 F N -1.538 118.359 119.950 -0.088 0.000 2.698 526 F HA 0.182 4.708 4.527 -0.001 0.000 0.304 526 F C 1.634 177.135 175.800 -0.498 0.000 1.108 526 F CA -0.383 57.384 58.000 -0.388 0.000 1.263 526 F CB -0.487 38.277 39.000 -0.393 0.000 1.013 526 F HN -0.074 nan 8.300 nan 0.000 0.532 527 N N 1.275 119.900 118.700 -0.125 0.000 2.258 527 N HA -0.217 4.522 4.740 -0.001 0.000 0.187 527 N C 1.971 177.458 175.510 -0.038 0.000 1.012 527 N CA 1.762 54.753 53.050 -0.097 0.000 0.870 527 N CB -0.223 38.223 38.487 -0.069 0.000 0.977 527 N HN 0.561 nan 8.380 nan 0.000 0.434 528 W N -0.400 120.940 121.300 0.066 0.000 2.421 528 W HA 0.109 4.768 4.660 -0.001 0.000 0.270 528 W C 1.308 177.883 176.519 0.093 0.000 1.233 528 W CA 0.708 58.102 57.345 0.082 0.000 1.226 528 W CB -0.868 28.655 29.460 0.106 0.000 1.121 528 W HN 0.050 nan 8.180 nan 0.000 0.579 529 A N 1.424 123.834 122.820 -0.684 0.000 2.169 529 A HA 0.221 4.540 4.320 -0.001 0.000 0.212 529 A C 0.969 178.401 177.584 -0.253 0.000 1.153 529 A CA 1.030 52.669 52.037 -0.663 0.000 0.756 529 A CB -0.789 17.587 19.000 -1.040 0.000 0.813 529 A HN 0.133 nan 8.150 nan 0.000 0.471 530 V N -5.045 114.765 119.914 -0.173 0.000 2.769 530 V HA 0.829 4.949 4.120 -0.001 0.000 0.312 530 V C 1.033 177.098 176.094 -0.047 0.000 1.058 530 V CA -0.249 61.988 62.300 -0.105 0.000 0.952 530 V CB 0.976 32.728 31.823 -0.118 0.000 1.019 530 V HN 0.252 nan 8.190 nan 0.000 0.445 531 K N 1.513 121.892 120.400 -0.036 0.000 2.031 531 K HA 0.218 4.537 4.320 -0.001 0.000 0.205 531 K C 1.433 178.014 176.600 -0.031 0.000 1.049 531 K CA 1.655 57.930 56.287 -0.021 0.000 0.939 531 K CB -1.337 31.154 32.500 -0.015 0.000 0.717 531 K HN 1.492 nan 8.250 nan 0.000 0.438 532 T N 2.350 116.879 114.554 -0.041 0.000 3.455 532 T HA 0.438 4.787 4.350 -0.001 0.000 0.286 532 T C -0.003 174.664 174.700 -0.054 0.000 1.157 532 T CA -0.321 61.752 62.100 -0.044 0.000 1.090 532 T CB -0.733 68.109 68.868 -0.044 0.000 1.112 532 T HN 0.353 nan 8.240 nan 0.000 0.779 533 K N 2.617 122.988 120.400 -0.049 0.000 2.339 533 K HA 0.454 4.774 4.320 -0.001 0.000 0.286 533 K C 0.086 176.646 176.600 -0.068 0.000 1.050 533 K CA -0.245 56.008 56.287 -0.056 0.000 0.956 533 K CB 0.844 33.321 32.500 -0.038 0.000 0.990 533 K HN 0.558 nan 8.250 nan 0.000 0.475 534 L N 2.608 123.774 121.223 -0.095 0.000 2.417 534 L HA 0.206 4.545 4.340 -0.001 0.000 0.268 534 L C 0.848 177.647 176.870 -0.119 0.000 1.158 534 L CA -0.449 54.323 54.840 -0.113 0.000 0.819 534 L CB 0.257 42.223 42.059 -0.154 0.000 1.112 534 L HN 0.587 nan 8.230 nan 0.000 0.458 535 K N 4.404 124.744 120.400 -0.099 0.000 2.349 535 K HA 0.468 4.788 4.320 -0.001 0.000 0.289 535 K C -0.584 175.941 176.600 -0.125 0.000 1.064 535 K CA -0.178 56.062 56.287 -0.079 0.000 0.947 535 K CB -0.271 32.204 32.500 -0.042 0.000 1.007 535 K HN 0.519 nan 8.250 nan 0.000 0.478 536 L N 3.254 124.406 121.223 -0.118 0.000 2.265 536 L HA 0.460 4.799 4.340 -0.001 0.000 0.288 536 L C 0.908 177.819 176.870 0.069 0.000 1.058 536 L CA -0.749 53.997 54.840 -0.157 0.000 0.809 536 L CB 1.557 43.518 42.059 -0.164 0.000 1.179 536 L HN 0.937 nan 8.230 nan 0.000 0.429 537 T N 0.609 115.258 114.554 0.158 0.000 2.924 537 T HA 0.593 4.942 4.350 -0.001 0.000 0.291 537 T C -2.695 172.148 174.700 0.238 0.000 1.045 537 T CA -2.466 59.734 62.100 0.167 0.000 1.015 537 T CB 1.827 70.758 68.868 0.105 0.000 1.103 537 T HN 0.163 nan 8.240 nan 0.000 0.496 538 P HA 0.178 nan 4.420 nan 0.000 0.263 538 P C -0.601 176.734 177.300 0.058 0.000 1.175 538 P CA 0.012 63.172 63.100 0.099 0.000 0.761 538 P CB 0.121 31.857 31.700 0.059 0.000 0.794 539 I N 6.080 126.633 120.570 -0.028 0.000 2.312 539 I HA 0.130 4.300 4.170 -0.001 0.000 0.291 539 I C -1.226 174.859 176.117 -0.053 0.000 1.031 539 I CA -1.910 59.333 61.300 -0.095 0.000 1.293 539 I CB 1.275 39.114 38.000 -0.268 0.000 1.403 539 I HN 0.317 nan 8.210 nan 0.000 0.484 540 P HA -0.227 nan 4.420 nan 0.000 0.216 540 P C 1.440 178.722 177.300 -0.031 0.000 1.150 540 P CA 1.145 64.233 63.100 -0.020 0.000 0.843 540 P CB 0.247 31.941 31.700 -0.009 0.000 0.787 541 A N -0.160 122.636 122.820 -0.041 0.000 2.019 541 A HA -0.081 4.238 4.320 -0.001 0.000 0.219 541 A C 2.295 179.846 177.584 -0.055 0.000 1.164 541 A CA 1.804 53.815 52.037 -0.043 0.000 0.644 541 A CB -1.453 17.523 19.000 -0.042 0.000 0.805 541 A HN 0.207 nan 8.150 nan 0.000 0.449 542 A N 0.508 123.289 122.820 -0.066 0.000 1.940 542 A HA -0.127 4.193 4.320 -0.001 0.000 0.219 542 A C 2.481 180.018 177.584 -0.078 0.000 1.176 542 A CA 2.294 54.285 52.037 -0.076 0.000 0.631 542 A CB -0.947 18.012 19.000 -0.069 0.000 0.814 542 A HN 1.052 nan 8.150 nan 0.000 0.446 543 S N -0.802 114.863 115.700 -0.058 0.000 2.453 543 S HA -0.020 4.450 4.470 -0.001 0.000 0.231 543 S C 2.015 176.581 174.600 -0.056 0.000 1.005 543 S CA 1.262 59.430 58.200 -0.054 0.000 0.949 543 S CB -0.556 62.622 63.200 -0.036 0.000 0.774 543 S HN 0.768 nan 8.310 nan 0.000 0.510 544 R N 1.024 121.492 120.500 -0.054 0.000 2.200 544 R HA 0.493 4.833 4.340 -0.001 0.000 0.208 544 R C 1.119 177.382 176.300 -0.063 0.000 1.033 544 R CA 0.701 56.772 56.100 -0.048 0.000 1.000 544 R CB -1.272 29.008 30.300 -0.035 0.000 0.906 544 R HN 0.598 nan 8.270 nan 0.000 0.462 545 L N 2.492 123.662 121.223 -0.089 0.000 2.513 545 L HA 0.062 4.402 4.340 -0.001 0.000 0.272 545 L C -0.293 176.489 176.870 -0.147 0.000 1.187 545 L CA -0.254 54.512 54.840 -0.124 0.000 0.895 545 L CB 0.878 42.828 42.059 -0.181 0.000 1.147 545 L HN 0.315 nan 8.230 nan 0.000 0.483 546 D N 4.616 124.944 120.400 -0.119 0.000 2.422 546 D HA 0.132 4.771 4.640 -0.001 0.000 0.227 546 D C 0.122 176.312 176.300 -0.184 0.000 1.190 546 D CA -0.241 53.694 54.000 -0.108 0.000 0.905 546 D CB 0.902 41.676 40.800 -0.043 0.000 1.034 546 D HN 0.197 nan 8.370 nan 0.000 0.507 547 L N 2.898 123.941 121.223 -0.300 0.000 2.791 547 L HA 0.150 4.489 4.340 -0.001 0.000 0.239 547 L C 0.700 177.445 176.870 -0.208 0.000 1.203 547 L CA -0.157 54.330 54.840 -0.588 0.000 1.002 547 L CB -0.731 40.837 42.059 -0.819 0.000 1.295 547 L HN 0.282 nan 8.230 nan 0.000 0.504 548 S N -1.340 114.332 115.700 -0.047 0.000 2.572 548 S HA 0.488 4.958 4.470 -0.001 0.000 0.279 548 S C 1.428 176.088 174.600 0.100 0.000 1.341 548 S CA 0.122 58.341 58.200 0.031 0.000 1.043 548 S CB 1.149 64.354 63.200 0.008 0.000 0.887 548 S HN 0.597 nan 8.310 nan 0.000 0.516 549 G N 1.658 110.509 108.800 0.084 0.000 2.205 549 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.261 549 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.261 549 G C 0.545 175.528 174.900 0.137 0.000 0.980 549 G CA 0.415 45.531 45.100 0.025 0.000 0.632 549 G HN 0.720 nan 8.290 nan 0.000 0.533 550 W N 0.099 121.302 121.300 -0.161 0.000 2.378 550 W HA 0.405 5.064 4.660 -0.001 0.000 0.313 550 W C 1.217 177.317 176.519 -0.697 0.000 1.197 550 W CA 1.511 58.561 57.345 -0.491 0.000 1.304 550 W CB -0.343 28.709 29.460 -0.679 0.000 1.148 550 W HN 0.200 nan 8.180 nan 0.000 0.494 551 F N -0.680 119.439 119.950 0.282 0.000 2.531 551 F HA 0.328 4.855 4.527 -0.001 0.000 0.333 551 F C 0.416 176.353 175.800 0.228 0.000 1.292 551 F CA -0.445 57.724 58.000 0.280 0.000 1.184 551 F CB 0.112 39.245 39.000 0.222 0.000 1.426 551 F HN -0.394 nan 8.300 nan 0.000 0.559 552 V N 0.212 120.324 119.914 0.330 0.000 2.996 552 V HA 0.626 4.746 4.120 -0.001 0.000 0.235 552 V C 0.759 176.988 176.094 0.226 0.000 1.205 552 V CA 0.579 63.018 62.300 0.231 0.000 1.225 552 V CB 0.679 32.614 31.823 0.188 0.000 0.995 552 V HN 0.467 nan 8.190 nan 0.000 0.484 553 A N -0.670 122.247 122.820 0.160 0.000 2.609 553 A HA 0.770 5.090 4.320 -0.001 0.000 0.291 553 A C -0.301 176.945 177.584 -0.564 0.000 1.096 553 A CA 0.102 52.082 52.037 -0.094 0.000 0.684 553 A CB 1.098 19.891 19.000 -0.345 0.000 1.282 553 A HN 0.394 nan 8.150 nan 0.000 0.412 554 G N -1.156 107.032 108.800 -1.021 0.000 2.377 554 G HA2 0.537 4.497 3.960 -0.001 0.000 0.299 554 G HA3 0.537 4.497 3.960 -0.001 0.000 0.299 554 G C -0.834 173.416 174.900 -1.083 0.000 1.150 554 G CA -0.071 44.045 45.100 -1.640 0.000 0.847 554 G HN 0.615 nan 8.290 nan 0.000 0.501 555 Y N 0.706 120.787 120.300 -0.366 0.000 2.768 555 Y HA 0.290 4.840 4.550 -0.001 0.000 0.249 555 Y C 1.334 177.158 175.900 -0.126 0.000 1.146 555 Y CA -0.828 57.164 58.100 -0.179 0.000 1.171 555 Y CB 0.431 38.820 38.460 -0.118 0.000 1.249 555 Y HN 0.512 nan 8.280 nan 0.000 0.567 556 S N 0.786 116.460 115.700 -0.045 0.000 2.575 556 S HA 0.301 4.771 4.470 -0.001 0.000 0.295 556 S C 1.487 176.111 174.600 0.040 0.000 1.267 556 S CA 1.519 59.726 58.200 0.013 0.000 1.074 556 S CB 0.000 63.214 63.200 0.022 0.000 0.829 556 S HN 1.060 nan 8.310 nan 0.000 0.497 557 G N 3.622 112.449 108.800 0.044 0.000 2.184 557 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.264 557 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.264 557 G C 0.871 175.804 174.900 0.056 0.000 0.975 557 G CA 0.443 45.574 45.100 0.053 0.000 0.642 557 G HN 1.365 nan 8.290 nan 0.000 0.536 558 G N -0.146 108.691 108.800 0.062 0.000 2.920 558 G HA2 0.364 4.324 3.960 -0.001 0.000 0.208 558 G HA3 0.364 4.324 3.960 -0.001 0.000 0.208 558 G C 0.513 175.433 174.900 0.033 0.000 1.159 558 G CA 1.167 46.317 45.100 0.083 0.000 0.784 558 G HN 1.231 nan 8.290 nan 0.000 0.535 559 D N -0.503 119.886 120.400 -0.019 0.000 2.705 559 D HA -0.160 4.480 4.640 -0.001 0.000 0.240 559 D C -0.168 176.061 176.300 -0.119 0.000 1.137 559 D CA 0.348 54.310 54.000 -0.064 0.000 0.677 559 D CB -1.205 39.573 40.800 -0.037 0.000 1.049 559 D HN 0.114 nan 8.370 nan 0.000 0.427 560 I N 1.463 121.919 120.570 -0.190 0.000 2.404 560 I HA 0.353 4.522 4.170 -0.001 0.000 0.293 560 I C -0.116 175.747 176.117 -0.423 0.000 0.992 560 I CA -0.779 60.289 61.300 -0.387 0.000 1.149 560 I CB 1.269 38.882 38.000 -0.646 0.000 1.315 560 I HN 0.111 nan 8.210 nan 0.000 0.446 561 Y N 5.664 125.613 120.300 -0.585 0.000 2.361 561 Y HA 0.418 4.968 4.550 -0.001 0.000 0.337 561 Y C -0.633 174.920 175.900 -0.578 0.000 0.965 561 Y CA -0.537 57.244 58.100 -0.532 0.000 1.091 561 Y CB 1.223 39.486 38.460 -0.327 0.000 1.182 561 Y HN 0.549 nan 8.280 nan 0.000 0.450 562 H N 4.166 122.596 119.070 -1.067 0.000 2.360 562 H HA 0.555 5.111 4.556 -0.001 0.000 0.233 562 H C -0.730 174.110 175.328 -0.814 0.000 1.473 562 H CA -0.328 55.207 56.048 -0.855 0.000 1.352 562 H CB 0.624 29.819 29.762 -0.946 0.000 1.493 562 H HN 0.592 nan 8.280 nan 0.000 0.533 563 S N 0.000 115.269 115.700 -0.718 0.000 2.498 563 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 563 S CA 0.000 57.987 58.200 -0.355 0.000 1.107 563 S CB 0.000 62.941 63.200 -0.433 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517