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 1vgv_1_A DATA FIRST_RESID 2 DATA SEQUENCE KVLTVFGTRP EAIKXAPLVH ALAKDPFFEA KVCVTAQHRE XLDQVLKLFS DATA SEQUENCE IVPDYDLNIX QPGQGLTEIT CRILEGLKPI LAEFKPDVVL VHGDTTTTLA DATA SEQUENCE TSLAAFYQRI PVGHVEAGLR TGDLYSPWPE EANRTLTGHL AXYHFSPTET DATA SEQUENCE SRQNLLRENV ADSRIFITGN TVIDALLWVR DQVXSSDKLR SELAANYPFI DATA SEQUENCE DPDKKXILVT GHRRESFGRG FEEICHALAD IATTHQDIQI VYPVHLNPNV DATA SEQUENCE REPVNRILGH VKNVILIDPQ EYLPFVWLXN HAWLILTDSG GIQEEAPSLG DATA SEQUENCE KPVLVXRDTT ERPEAVTAGT VRLVGTDKQR IVEEVTRLLK DENEYQAXSR DATA SEQUENCE AHNPYGDGQA CSRILEALKN NRISL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.612 176.600 0.019 0.000 0.988 2 K CA 0.000 56.270 56.287 -0.028 0.000 0.838 2 K CB 0.000 32.278 32.500 -0.371 0.000 1.064 3 V N 2.757 122.795 119.914 0.206 0.000 2.656 3 V HA 0.537 4.657 4.120 -0.000 0.000 0.307 3 V C -1.171 175.125 176.094 0.336 0.000 1.051 3 V CA -0.927 61.479 62.300 0.177 0.000 0.893 3 V CB 1.850 33.719 31.823 0.077 0.000 0.999 3 V HN 0.614 nan 8.190 nan 0.000 0.426 4 L N 3.945 125.323 121.223 0.257 0.000 2.343 4 L HA 0.725 5.065 4.340 -0.000 0.000 0.278 4 L C -0.067 176.890 176.870 0.145 0.000 0.996 4 L CA 0.411 55.420 54.840 0.283 0.000 0.831 4 L CB 1.990 44.235 42.059 0.310 0.000 1.232 4 L HN 0.736 nan 8.230 nan 0.000 0.413 5 T N 4.640 119.274 114.554 0.133 0.000 2.758 5 T HA 0.636 4.986 4.350 -0.000 0.000 0.285 5 T C -0.491 174.296 174.700 0.146 0.000 0.981 5 T CA -0.354 61.834 62.100 0.146 0.000 0.965 5 T CB 1.204 70.168 68.868 0.161 0.000 0.927 5 T HN 0.335 nan 8.240 nan 0.000 0.448 6 V N 5.342 125.344 119.914 0.147 0.000 2.628 6 V HA 0.872 4.992 4.120 -0.000 0.000 0.306 6 V C -0.646 175.561 176.094 0.188 0.000 1.045 6 V CA -0.915 61.409 62.300 0.040 0.000 0.905 6 V CB 0.983 32.814 31.823 0.012 0.000 0.997 6 V HN 0.926 nan 8.190 nan 0.000 0.436 7 F N 0.717 120.664 119.950 -0.004 0.000 2.744 7 F HA 0.801 5.328 4.527 -0.000 0.000 0.311 7 F C 0.296 176.083 175.800 -0.022 0.000 1.144 7 F CA -0.216 57.775 58.000 -0.015 0.000 0.938 7 F CB 1.097 40.069 39.000 -0.047 0.000 1.292 7 F HN 0.538 nan 8.300 nan 0.000 0.444 8 G N -0.350 108.552 108.800 0.170 0.000 2.775 8 G HA2 0.327 4.287 3.960 -0.000 0.000 0.198 8 G HA3 0.327 4.287 3.960 -0.000 0.000 0.198 8 G C 0.198 175.163 174.900 0.108 0.000 1.121 8 G CA 0.505 45.647 45.100 0.071 0.000 0.686 8 G HN 0.955 nan 8.290 nan 0.000 0.782 9 T N -1.875 112.740 114.554 0.103 0.000 2.824 9 T HA 0.388 4.738 4.350 -0.000 0.000 0.277 9 T C 1.305 176.031 174.700 0.042 0.000 0.975 9 T CA -0.241 61.898 62.100 0.065 0.000 0.966 9 T CB 2.413 71.302 68.868 0.034 0.000 1.054 9 T HN 0.141 nan 8.240 nan 0.000 0.533 10 R N 0.577 121.082 120.500 0.008 0.000 2.073 10 R HA -0.015 4.325 4.340 -0.000 0.000 0.234 10 R C -0.828 175.392 176.300 -0.133 0.000 1.134 10 R CA 1.362 57.436 56.100 -0.043 0.000 0.952 10 R CB -1.473 28.809 30.300 -0.030 0.000 0.850 10 R HN 0.515 nan 8.270 nan 0.000 0.433 11 P HA -0.162 nan 4.420 nan 0.000 0.215 11 P C 0.544 177.681 177.300 -0.271 0.000 1.157 11 P CA 1.355 64.353 63.100 -0.170 0.000 0.868 11 P CB -0.026 31.614 31.700 -0.101 0.000 0.788 12 E N -0.489 119.570 120.200 -0.235 0.000 2.152 12 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 12 E C 2.056 178.340 176.600 -0.526 0.000 0.983 12 E CA 1.221 57.396 56.400 -0.375 0.000 0.818 12 E CB -1.018 28.607 29.700 -0.126 0.000 0.758 12 E HN 0.184 nan 8.360 nan 0.000 0.467 13 A N 1.569 124.149 122.820 -0.400 0.000 1.877 13 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 13 A C 2.366 179.567 177.584 -0.639 0.000 1.186 13 A CA 1.033 52.691 52.037 -0.632 0.000 0.620 13 A CB -0.706 18.206 19.000 -0.147 0.000 0.822 13 A HN 0.148 nan 8.150 nan 0.000 0.443 14 I N -0.265 120.004 120.570 -0.501 0.000 2.151 14 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 14 I C 1.368 177.179 176.117 -0.509 0.000 1.080 14 I CA 1.199 62.168 61.300 -0.552 0.000 1.339 14 I CB -0.291 37.326 38.000 -0.638 0.000 1.039 14 I HN 0.248 nan 8.210 nan 0.000 0.409 18 P HA -0.122 nan 4.420 nan 0.000 0.216 18 P C 1.599 178.726 177.300 -0.289 0.000 1.150 18 P CA 1.385 64.187 63.100 -0.498 0.000 0.837 18 P CB -0.091 31.451 31.700 -0.263 0.000 0.786 19 L N -0.097 120.943 121.223 -0.305 0.000 2.044 19 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 19 L C 2.494 179.232 176.870 -0.219 0.000 1.075 19 L CA 1.573 56.261 54.840 -0.254 0.000 0.747 19 L CB -1.333 40.573 42.059 -0.255 0.000 0.903 19 L HN -0.245 nan 8.230 nan 0.000 0.435 20 V N -0.045 119.744 119.914 -0.208 0.000 2.287 20 V HA -0.386 3.733 4.120 -0.000 0.000 0.248 20 V C 2.591 178.647 176.094 -0.063 0.000 1.053 20 V CA 2.218 64.451 62.300 -0.111 0.000 1.027 20 V CB -1.025 30.756 31.823 -0.071 0.000 0.646 20 V HN 0.685 nan 8.190 nan 0.000 0.447 21 H N 0.259 119.207 119.070 -0.203 0.000 2.290 21 H HA -0.219 4.337 4.556 -0.000 0.000 0.298 21 H C 2.285 177.550 175.328 -0.105 0.000 1.087 21 H CA 1.882 57.845 56.048 -0.143 0.000 1.291 21 H CB 0.066 29.709 29.762 -0.199 0.000 1.369 21 H HN 0.414 nan 8.280 nan 0.000 0.492 22 A N 1.158 123.839 122.820 -0.231 0.000 1.908 22 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 22 A C 2.726 180.212 177.584 -0.163 0.000 1.181 22 A CA 1.479 53.372 52.037 -0.240 0.000 0.627 22 A CB -0.885 18.003 19.000 -0.186 0.000 0.818 22 A HN 0.447 nan 8.150 nan 0.000 0.445 23 L N -0.898 120.220 121.223 -0.174 0.000 2.083 23 L HA -0.187 4.152 4.340 -0.000 0.000 0.209 23 L C 3.091 179.966 176.870 0.008 0.000 1.083 23 L CA 0.967 55.714 54.840 -0.156 0.000 0.752 23 L CB -0.537 41.376 42.059 -0.243 0.000 0.899 23 L HN 0.448 nan 8.230 nan 0.000 0.433 24 A N 1.319 124.129 122.820 -0.015 0.000 1.858 24 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 24 A C 2.337 179.939 177.584 0.030 0.000 1.190 24 A CA 2.156 54.209 52.037 0.027 0.000 0.617 24 A CB -0.485 18.535 19.000 0.033 0.000 0.827 24 A HN 0.526 nan 8.150 nan 0.000 0.443 25 K N -0.489 119.891 120.400 -0.033 0.000 2.097 25 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 25 K C 0.176 176.796 176.600 0.034 0.000 1.050 25 K CA 1.072 57.347 56.287 -0.021 0.000 0.938 25 K CB -0.363 32.075 32.500 -0.102 0.000 0.718 25 K HN 0.277 nan 8.250 nan 0.000 0.442 26 D N 2.601 123.048 120.400 0.077 0.000 2.401 26 D HA 0.037 4.677 4.640 -0.000 0.000 0.254 26 D C -1.424 174.986 176.300 0.183 0.000 1.192 26 D CA -2.064 52.027 54.000 0.152 0.000 0.885 26 D CB 1.507 42.472 40.800 0.274 0.000 1.147 26 D HN 0.089 nan 8.370 nan 0.000 0.478 27 P HA -0.111 nan 4.420 nan 0.000 0.233 27 P C 1.542 178.872 177.300 0.051 0.000 1.167 27 P CA 0.282 63.430 63.100 0.080 0.000 0.770 27 P CB -0.002 31.726 31.700 0.047 0.000 0.837 28 F N 0.665 120.524 119.950 -0.153 0.000 2.216 28 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 28 F C 0.619 176.148 175.800 -0.452 0.000 1.085 28 F CA 0.837 58.615 58.000 -0.370 0.000 1.326 28 F CB -0.335 38.286 39.000 -0.631 0.000 1.027 28 F HN -0.318 nan 8.300 nan 0.000 0.497 29 F N 0.914 120.971 119.950 0.178 0.000 2.399 29 F HA 0.283 4.810 4.527 -0.000 0.000 0.334 29 F C 0.271 176.102 175.800 0.051 0.000 1.097 29 F CA -1.034 57.026 58.000 0.099 0.000 1.076 29 F CB 0.794 39.881 39.000 0.145 0.000 1.162 29 F HN -0.183 nan 8.300 nan 0.000 0.495 30 E N 2.323 122.665 120.200 0.238 0.000 2.070 30 E HA 0.597 4.947 4.350 -0.000 0.000 0.261 30 E C -1.287 175.505 176.600 0.319 0.000 0.926 30 E CA -0.562 55.967 56.400 0.214 0.000 0.760 30 E CB 0.571 30.377 29.700 0.178 0.000 1.133 30 E HN 0.723 nan 8.360 nan 0.000 0.420 31 A N 4.899 127.865 122.820 0.244 0.000 2.312 31 A HA 0.559 4.879 4.320 -0.000 0.000 0.326 31 A C -0.534 177.117 177.584 0.112 0.000 1.172 31 A CA -0.616 51.547 52.037 0.211 0.000 0.821 31 A CB 0.871 19.940 19.000 0.116 0.000 1.166 31 A HN 0.597 nan 8.150 nan 0.000 0.493 32 K N 0.619 121.081 120.400 0.103 0.000 2.400 32 K HA 0.723 5.043 4.320 -0.000 0.000 0.246 32 K C -1.555 175.078 176.600 0.054 0.000 0.995 32 K CA -0.815 55.446 56.287 -0.044 0.000 0.840 32 K CB 2.507 34.798 32.500 -0.349 0.000 1.293 32 K HN 0.383 nan 8.250 nan 0.000 0.445 33 V N 0.881 120.810 119.914 0.025 0.000 2.638 33 V HA 0.283 4.403 4.120 -0.000 0.000 0.306 33 V C -1.020 175.082 176.094 0.013 0.000 1.052 33 V CA -0.889 61.428 62.300 0.027 0.000 0.885 33 V CB 1.664 33.497 31.823 0.016 0.000 0.999 33 V HN 0.944 nan 8.190 nan 0.000 0.424 34 C N 6.243 125.511 119.300 -0.053 0.000 2.369 34 C HA 0.839 5.299 4.460 -0.000 0.000 0.322 34 C C -0.373 174.425 174.990 -0.321 0.000 1.258 34 C CA -0.205 58.776 59.018 -0.061 0.000 1.487 34 C CB 0.537 28.269 27.740 -0.014 0.000 2.165 34 C HN 0.714 nan 8.230 nan 0.000 0.483 35 V N 5.813 125.549 119.914 -0.296 0.000 2.483 35 V HA 0.612 4.731 4.120 -0.000 0.000 0.295 35 V C 0.869 176.839 176.094 -0.207 0.000 1.035 35 V CA -0.048 62.012 62.300 -0.401 0.000 0.896 35 V CB 2.097 33.716 31.823 -0.340 0.000 0.986 35 V HN 0.936 nan 8.190 nan 0.000 0.447 36 T N 0.857 115.303 114.554 -0.180 0.000 3.516 36 T HA 0.626 4.975 4.350 -0.000 0.000 0.245 36 T C 0.034 174.696 174.700 -0.064 0.000 1.077 36 T CA 0.059 62.102 62.100 -0.095 0.000 1.222 36 T CB 0.488 69.312 68.868 -0.073 0.000 1.045 36 T HN 0.814 nan 8.240 nan 0.000 0.585 37 A N 0.951 123.736 122.820 -0.059 0.000 2.332 37 A HA 0.508 4.828 4.320 -0.000 0.000 0.258 37 A C 1.118 178.666 177.584 -0.059 0.000 1.087 37 A CA -0.539 51.481 52.037 -0.028 0.000 0.802 37 A CB 0.526 19.526 19.000 -0.000 0.000 1.042 37 A HN 0.607 nan 8.150 nan 0.000 0.489 38 Q N -0.647 119.102 119.800 -0.086 0.000 2.378 38 Q HA 0.076 4.416 4.340 -0.000 0.000 0.216 38 Q C -0.594 175.139 176.000 -0.445 0.000 0.892 38 Q CA 0.478 56.145 55.803 -0.225 0.000 0.931 38 Q CB 0.420 29.020 28.738 -0.229 0.000 1.086 38 Q HN 0.796 nan 8.270 nan 0.000 0.528 39 H N -0.368 118.702 119.070 0.000 0.000 2.490 39 H HA 0.179 4.735 4.556 -0.000 0.000 0.230 39 H C 0.321 175.652 175.328 0.004 0.000 1.417 39 H CA -0.203 55.846 56.048 0.002 0.000 1.449 39 H CB 0.895 30.659 29.762 0.002 0.000 1.649 39 H HN 0.004 nan 8.280 nan 0.000 0.519 40 R N 2.138 122.682 120.500 0.072 0.000 2.112 40 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 40 R C 0.573 176.912 176.300 0.065 0.000 1.137 40 R CA 1.841 57.970 56.100 0.049 0.000 0.944 40 R CB -0.142 30.169 30.300 0.018 0.000 0.857 40 R HN 0.762 nan 8.270 nan 0.000 0.435 44 D N 1.635 122.080 120.400 0.074 0.000 2.137 44 D HA -0.279 4.360 4.640 -0.000 0.000 0.189 44 D C 1.772 178.127 176.300 0.093 0.000 0.998 44 D CA 2.224 56.268 54.000 0.073 0.000 0.839 44 D CB -0.045 40.788 40.800 0.055 0.000 0.962 44 D HN 0.463 nan 8.370 nan 0.000 0.446 45 Q N 0.705 120.563 119.800 0.097 0.000 2.029 45 Q HA -0.202 4.138 4.340 -0.000 0.000 0.209 45 Q C 2.275 178.380 176.000 0.174 0.000 0.999 45 Q CA 2.269 58.146 55.803 0.124 0.000 0.857 45 Q CB -0.164 28.655 28.738 0.135 0.000 0.926 45 Q HN 0.131 nan 8.270 nan 0.000 0.415 46 V N 1.172 121.198 119.914 0.187 0.000 2.282 46 V HA -0.316 3.804 4.120 -0.000 0.000 0.249 46 V C 2.464 178.715 176.094 0.261 0.000 1.057 46 V CA 2.030 64.467 62.300 0.229 0.000 1.032 46 V CB -0.697 31.164 31.823 0.063 0.000 0.645 46 V HN 0.418 nan 8.190 nan 0.000 0.447 47 L N -0.238 121.087 121.223 0.171 0.000 2.046 47 L HA -0.203 4.136 4.340 -0.000 0.000 0.208 47 L C 2.615 179.591 176.870 0.177 0.000 1.077 47 L CA 1.919 56.859 54.840 0.166 0.000 0.747 47 L CB -0.692 41.444 42.059 0.129 0.000 0.896 47 L HN 0.308 nan 8.230 nan 0.000 0.432 48 K N 0.656 121.142 120.400 0.143 0.000 2.063 48 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 48 K C 1.899 178.577 176.600 0.130 0.000 1.048 48 K CA 1.463 57.819 56.287 0.116 0.000 0.928 48 K CB -0.356 32.196 32.500 0.088 0.000 0.713 48 K HN -0.014 nan 8.250 nan 0.000 0.442 49 L N -0.193 121.130 121.223 0.168 0.000 2.127 49 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 49 L C 1.511 178.390 176.870 0.015 0.000 1.089 49 L CA 1.655 56.564 54.840 0.115 0.000 0.757 49 L CB -0.570 41.581 42.059 0.153 0.000 0.899 49 L HN 0.167 nan 8.230 nan 0.000 0.434 50 F N -1.483 118.486 119.950 0.032 0.000 2.653 50 F HA 0.179 4.706 4.527 -0.000 0.000 0.304 50 F C 1.306 177.017 175.800 -0.149 0.000 1.092 50 F CA -0.116 57.731 58.000 -0.254 0.000 1.279 50 F CB -0.269 38.477 39.000 -0.422 0.000 1.044 50 F HN -0.124 nan 8.300 nan 0.000 0.564 51 S N 1.070 116.841 115.700 0.118 0.000 3.682 51 S HA -0.215 4.255 4.470 -0.000 0.000 0.354 51 S C 0.035 174.694 174.600 0.098 0.000 1.034 51 S CA 0.136 58.396 58.200 0.099 0.000 1.084 51 S CB -2.247 61.011 63.200 0.096 0.000 0.903 51 S HN 0.310 nan 8.310 nan 0.000 0.470 52 I N 1.026 121.660 120.570 0.107 0.000 2.353 52 I HA 0.441 4.611 4.170 -0.000 0.000 0.293 52 I C 0.199 176.356 176.117 0.066 0.000 0.992 52 I CA -0.639 60.714 61.300 0.089 0.000 1.268 52 I CB 1.614 39.673 38.000 0.099 0.000 1.387 52 I HN 0.031 nan 8.210 nan 0.000 0.478 53 V N 7.659 127.595 119.914 0.037 0.000 2.380 53 V HA 0.286 4.406 4.120 -0.000 0.000 0.286 53 V C -2.174 173.902 176.094 -0.029 0.000 1.015 53 V CA -1.646 60.657 62.300 0.006 0.000 0.834 53 V CB 1.201 33.021 31.823 -0.006 0.000 1.009 53 V HN 0.607 nan 8.190 nan 0.000 0.428 54 P HA 0.120 nan 4.420 nan 0.000 0.264 54 P C 0.043 177.253 177.300 -0.150 0.000 1.183 54 P CA 0.227 63.276 63.100 -0.084 0.000 0.763 54 P CB 0.820 32.463 31.700 -0.094 0.000 0.807 55 D N 0.652 120.918 120.400 -0.223 0.000 2.213 55 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 55 D C -0.154 175.734 176.300 -0.686 0.000 0.961 55 D CA 1.314 55.031 54.000 -0.472 0.000 0.853 55 D CB -0.138 40.294 40.800 -0.613 0.000 0.967 55 D HN 0.437 nan 8.370 nan 0.000 0.496 56 Y N -0.124 120.100 120.300 -0.126 0.000 2.462 56 Y HA 0.443 4.993 4.550 -0.000 0.000 0.346 56 Y C -0.694 175.136 175.900 -0.117 0.000 0.976 56 Y CA -1.168 56.867 58.100 -0.109 0.000 1.044 56 Y CB 1.772 40.171 38.460 -0.102 0.000 1.230 56 Y HN -0.301 nan 8.280 nan 0.000 0.455 57 D N 3.294 123.724 120.400 0.050 0.000 2.389 57 D HA 0.290 4.930 4.640 -0.000 0.000 0.256 57 D C -1.272 175.024 176.300 -0.007 0.000 1.239 57 D CA -0.175 53.817 54.000 -0.015 0.000 0.925 57 D CB 1.141 41.920 40.800 -0.035 0.000 1.145 57 D HN 0.532 nan 8.370 nan 0.000 0.542 58 L N 3.068 124.278 121.223 -0.023 0.000 2.281 58 L HA 0.235 4.575 4.340 -0.000 0.000 0.285 58 L C 0.756 177.605 176.870 -0.036 0.000 1.074 58 L CA -0.404 54.421 54.840 -0.025 0.000 0.817 58 L CB 0.839 42.877 42.059 -0.035 0.000 1.168 58 L HN 0.177 nan 8.230 nan 0.000 0.434 59 N N 5.628 124.310 118.700 -0.029 0.000 2.482 59 N HA 0.236 4.976 4.740 -0.000 0.000 0.242 59 N C -0.013 175.472 175.510 -0.042 0.000 1.100 59 N CA -0.099 52.930 53.050 -0.036 0.000 0.946 59 N CB 0.408 38.878 38.487 -0.029 0.000 1.227 59 N HN 0.474 nan 8.380 nan 0.000 0.508 63 P HA 0.276 nan 4.420 nan 0.000 0.263 63 P C 0.451 177.757 177.300 0.011 0.000 1.195 63 P CA 1.369 64.453 63.100 -0.026 0.000 0.762 63 P CB 0.597 32.311 31.700 0.023 0.000 0.799 64 G N 2.390 111.200 108.800 0.016 0.000 2.198 64 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.156 64 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.156 64 G C 0.821 175.735 174.900 0.023 0.000 1.012 64 G CA 0.138 45.256 45.100 0.029 0.000 0.692 64 G HN 0.541 nan 8.290 nan 0.000 0.492 65 Q N 0.184 119.990 119.800 0.011 0.000 2.172 65 Q HA 0.401 4.741 4.340 -0.000 0.000 0.200 65 Q C 1.267 177.278 176.000 0.018 0.000 0.964 65 Q CA 1.758 57.566 55.803 0.009 0.000 0.855 65 Q CB 0.023 28.758 28.738 -0.004 0.000 0.918 65 Q HN 1.817 nan 8.270 nan 0.000 0.444 66 G N -1.051 107.761 108.800 0.021 0.000 2.640 66 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 66 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 66 G C -0.048 174.860 174.900 0.013 0.000 1.229 66 G CA -0.310 44.809 45.100 0.032 0.000 0.796 66 G HN 0.177 nan 8.290 nan 0.000 0.654 67 L N 0.535 121.764 121.223 0.010 0.000 2.046 67 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 67 L C 3.195 180.061 176.870 -0.008 0.000 1.077 67 L CA 2.239 57.063 54.840 -0.026 0.000 0.747 67 L CB -0.875 41.144 42.059 -0.067 0.000 0.896 67 L HN 0.738 nan 8.230 nan 0.000 0.432 68 T N -0.800 113.766 114.554 0.019 0.000 2.746 68 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 68 T C 1.779 176.487 174.700 0.014 0.000 1.039 68 T CA 1.406 63.519 62.100 0.022 0.000 1.142 68 T CB -0.119 68.771 68.868 0.036 0.000 0.866 68 T HN 0.271 nan 8.240 nan 0.000 0.444 69 E N 0.837 121.044 120.200 0.013 0.000 2.072 69 E HA 0.054 4.404 4.350 -0.000 0.000 0.191 69 E C 2.080 178.679 176.600 -0.002 0.000 0.985 69 E CA 0.609 57.014 56.400 0.007 0.000 0.801 69 E CB -0.435 29.270 29.700 0.008 0.000 0.750 69 E HN 0.460 nan 8.360 nan 0.000 0.452 70 I N 0.575 121.140 120.570 -0.009 0.000 2.226 70 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 70 I C 2.034 178.140 176.117 -0.018 0.000 1.100 70 I CA 1.312 62.601 61.300 -0.018 0.000 1.374 70 I CB -0.312 37.672 38.000 -0.026 0.000 1.057 70 I HN 0.127 nan 8.210 nan 0.000 0.413 71 T N -0.103 114.440 114.554 -0.017 0.000 2.652 71 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 71 T C 2.032 176.732 174.700 0.000 0.000 1.039 71 T CA 1.710 63.801 62.100 -0.015 0.000 1.153 71 T CB -0.479 68.382 68.868 -0.013 0.000 0.863 71 T HN 0.420 nan 8.240 nan 0.000 0.428 72 C N 1.111 120.416 119.300 0.008 0.000 2.432 72 C HA -0.016 4.444 4.460 -0.000 0.000 0.277 72 C C 2.915 177.912 174.990 0.012 0.000 1.249 72 C CA 0.496 59.524 59.018 0.018 0.000 1.725 72 C CB -1.000 26.751 27.740 0.018 0.000 2.028 72 C HN 0.534 nan 8.230 nan 0.000 0.477 73 R N 0.407 120.908 120.500 0.002 0.000 2.081 73 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 73 R C 2.111 178.407 176.300 -0.006 0.000 1.131 73 R CA 1.222 57.320 56.100 -0.003 0.000 0.960 73 R CB -0.285 30.009 30.300 -0.010 0.000 0.856 73 R HN 0.426 nan 8.270 nan 0.000 0.436 74 I N 1.071 121.635 120.570 -0.011 0.000 2.226 74 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 74 I C 2.317 178.430 176.117 -0.006 0.000 1.100 74 I CA 1.448 62.738 61.300 -0.017 0.000 1.374 74 I CB -0.875 37.111 38.000 -0.024 0.000 1.057 74 I HN 0.230 nan 8.210 nan 0.000 0.413 75 L N 0.283 121.511 121.223 0.008 0.000 2.042 75 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 75 L C 2.499 179.393 176.870 0.039 0.000 1.076 75 L CA 1.540 56.402 54.840 0.036 0.000 0.749 75 L CB -0.456 41.644 42.059 0.068 0.000 0.893 75 L HN 0.290 nan 8.230 nan 0.000 0.432 76 E N -0.475 119.740 120.200 0.026 0.000 2.112 76 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 76 E C 2.211 178.814 176.600 0.005 0.000 0.979 76 E CA 0.872 57.283 56.400 0.019 0.000 0.814 76 E CB -0.250 29.458 29.700 0.014 0.000 0.762 76 E HN 0.520 nan 8.360 nan 0.000 0.460 77 G N 1.166 109.964 108.800 -0.004 0.000 2.408 77 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 77 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 77 G C 1.551 176.433 174.900 -0.029 0.000 1.150 77 G CA 0.222 45.313 45.100 -0.015 0.000 0.776 77 G HN 0.084 nan 8.290 nan 0.000 0.542 78 L N -0.107 121.099 121.223 -0.029 0.000 2.217 78 L HA 0.050 4.390 4.340 -0.000 0.000 0.211 78 L C 2.802 179.647 176.870 -0.041 0.000 1.107 78 L CA 0.668 55.479 54.840 -0.048 0.000 0.783 78 L CB -0.203 41.834 42.059 -0.038 0.000 0.919 78 L HN 0.226 nan 8.230 nan 0.000 0.442 79 K N 0.554 120.948 120.400 -0.010 0.000 2.034 79 K HA -0.203 4.117 4.320 -0.000 0.000 0.214 79 K C -0.536 176.054 176.600 -0.017 0.000 1.051 79 K CA 1.980 58.268 56.287 0.002 0.000 0.931 79 K CB -0.819 31.692 32.500 0.019 0.000 0.715 79 K HN 0.229 nan 8.250 nan 0.000 0.446 80 P HA -0.108 nan 4.420 nan 0.000 0.219 80 P C 1.416 178.684 177.300 -0.052 0.000 1.150 80 P CA 1.300 64.386 63.100 -0.023 0.000 0.814 80 P CB -0.035 31.659 31.700 -0.010 0.000 0.787 81 I N -0.668 119.828 120.570 -0.122 0.000 2.252 81 I HA -0.186 3.983 4.170 -0.000 0.000 0.245 81 I C 2.598 178.615 176.117 -0.168 0.000 1.102 81 I CA 1.140 62.271 61.300 -0.282 0.000 1.385 81 I CB -0.687 36.990 38.000 -0.538 0.000 1.064 81 I HN -0.198 nan 8.210 nan 0.000 0.414 82 L N 0.320 121.485 121.223 -0.096 0.000 2.093 82 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 82 L C 2.768 179.630 176.870 -0.014 0.000 1.085 82 L CA 1.214 56.033 54.840 -0.035 0.000 0.755 82 L CB -0.737 41.307 42.059 -0.026 0.000 0.904 82 L HN 0.230 nan 8.230 nan 0.000 0.435 83 A N -0.443 122.369 122.820 -0.013 0.000 1.969 83 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 83 A C 2.319 179.914 177.584 0.017 0.000 1.169 83 A CA 1.666 53.701 52.037 -0.003 0.000 0.635 83 A CB -0.365 18.633 19.000 -0.003 0.000 0.810 83 A HN 0.488 nan 8.150 nan 0.000 0.445 84 E N -1.521 118.700 120.200 0.036 0.000 2.051 84 E HA -0.124 4.226 4.350 -0.000 0.000 0.189 84 E C 1.760 178.459 176.600 0.165 0.000 0.979 84 E CA 1.060 57.509 56.400 0.083 0.000 0.803 84 E CB -0.246 29.505 29.700 0.085 0.000 0.761 84 E HN 0.507 nan 8.360 nan 0.000 0.451 85 F N 1.542 121.486 119.950 -0.011 0.000 2.270 85 F HA 0.152 4.679 4.527 -0.000 0.000 0.295 85 F C 0.409 176.216 175.800 0.012 0.000 1.087 85 F CA 0.814 58.830 58.000 0.026 0.000 1.365 85 F CB 0.269 39.291 39.000 0.037 0.000 1.056 85 F HN -0.157 nan 8.300 nan 0.000 0.506 86 K N 1.206 121.550 120.400 -0.094 0.000 3.393 86 K HA -0.144 4.175 4.320 -0.000 0.000 0.272 86 K C -2.514 173.849 176.600 -0.396 0.000 1.004 86 K CA 0.555 56.729 56.287 -0.188 0.000 0.764 86 K CB -2.238 30.196 32.500 -0.111 0.000 1.373 86 K HN 0.289 nan 8.250 nan 0.000 0.458 87 P HA 0.095 nan 4.420 nan 0.000 0.272 87 P C 0.442 177.606 177.300 -0.227 0.000 1.223 87 P CA -0.104 62.665 63.100 -0.552 0.000 0.784 87 P CB 0.606 32.077 31.700 -0.382 0.000 0.923 88 D N -0.248 120.064 120.400 -0.148 0.000 2.317 88 D HA 0.036 4.676 4.640 -0.000 0.000 0.211 88 D C 0.367 176.690 176.300 0.038 0.000 0.966 88 D CA 1.001 54.983 54.000 -0.030 0.000 0.876 88 D CB 0.532 41.338 40.800 0.011 0.000 0.927 88 D HN 0.083 nan 8.370 nan 0.000 0.519 89 V N 0.582 120.510 119.914 0.023 0.000 2.969 89 V HA 0.250 4.370 4.120 -0.000 0.000 0.304 89 V C -1.488 174.628 176.094 0.038 0.000 1.192 89 V CA -0.722 61.612 62.300 0.056 0.000 0.962 89 V CB 2.624 34.463 31.823 0.027 0.000 1.045 89 V HN -0.277 nan 8.190 nan 0.000 0.428 90 V N 7.151 127.097 119.914 0.053 0.000 2.417 90 V HA 0.543 4.663 4.120 -0.000 0.000 0.291 90 V C -0.232 175.898 176.094 0.060 0.000 1.024 90 V CA -0.536 61.796 62.300 0.054 0.000 0.861 90 V CB 1.620 33.469 31.823 0.043 0.000 0.985 90 V HN 0.698 nan 8.190 nan 0.000 0.436 91 L N 6.212 127.476 121.223 0.068 0.000 2.296 91 L HA 0.747 5.087 4.340 -0.000 0.000 0.286 91 L C -0.259 176.682 176.870 0.118 0.000 1.023 91 L CA -0.646 54.249 54.840 0.092 0.000 0.812 91 L CB 1.684 43.779 42.059 0.060 0.000 1.223 91 L HN 0.589 nan 8.230 nan 0.000 0.421 92 V N -0.952 119.043 119.914 0.135 0.000 3.074 92 V HA 0.598 4.717 4.120 -0.000 0.000 0.314 92 V C -0.913 175.328 176.094 0.245 0.000 1.117 92 V CA -0.753 61.636 62.300 0.149 0.000 1.014 92 V CB 2.199 34.047 31.823 0.042 0.000 1.057 92 V HN 0.748 nan 8.190 nan 0.000 0.438 93 H N 0.142 119.303 119.070 0.152 0.000 2.600 93 H HA 0.592 5.148 4.556 -0.000 0.000 0.357 93 H C 0.599 176.032 175.328 0.175 0.000 1.106 93 H CA 0.672 56.814 56.048 0.156 0.000 1.193 93 H CB 1.708 31.500 29.762 0.050 0.000 1.594 93 H HN 1.431 nan 8.280 nan 0.000 0.526 94 G N 4.288 112.800 108.800 -0.480 0.000 2.634 94 G HA2 -0.370 3.589 3.960 -0.000 0.000 0.309 94 G HA3 -0.370 3.589 3.960 -0.000 0.000 0.309 94 G C -0.115 174.870 174.900 0.140 0.000 1.265 94 G CA 1.033 46.043 45.100 -0.150 0.000 0.998 94 G HN 0.812 nan 8.290 nan 0.000 0.551 95 D N -0.491 119.960 120.400 0.085 0.000 2.895 95 D HA 0.443 5.083 4.640 -0.000 0.000 0.350 95 D C 0.714 177.022 176.300 0.013 0.000 1.389 95 D CA 0.535 54.562 54.000 0.044 0.000 0.812 95 D CB 0.081 40.897 40.800 0.027 0.000 1.164 95 D HN 0.731 nan 8.370 nan 0.000 0.455 96 T N -4.183 110.389 114.554 0.030 0.000 2.847 96 T HA 0.268 4.617 4.350 -0.000 0.000 0.279 96 T C 1.381 176.058 174.700 -0.039 0.000 0.984 96 T CA -0.499 61.601 62.100 -0.000 0.000 0.988 96 T CB 1.538 70.425 68.868 0.031 0.000 1.040 96 T HN -0.078 nan 8.240 nan 0.000 0.528 97 T N 1.324 115.840 114.554 -0.062 0.000 2.788 97 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 97 T C 2.337 177.003 174.700 -0.056 0.000 1.044 97 T CA 1.969 64.021 62.100 -0.080 0.000 1.139 97 T CB -0.904 67.908 68.868 -0.093 0.000 0.867 97 T HN 0.961 nan 8.240 nan 0.000 0.454 98 T N 0.206 114.739 114.554 -0.034 0.000 2.788 98 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 98 T C 2.099 176.785 174.700 -0.023 0.000 1.044 98 T CA 1.655 63.741 62.100 -0.024 0.000 1.139 98 T CB -0.996 67.867 68.868 -0.009 0.000 0.867 98 T HN 0.255 nan 8.240 nan 0.000 0.454 99 T N 2.198 116.743 114.554 -0.014 0.000 2.737 99 T HA 0.032 4.382 4.350 -0.000 0.000 0.265 99 T C 1.797 176.445 174.700 -0.085 0.000 1.038 99 T CA 1.274 63.359 62.100 -0.026 0.000 1.144 99 T CB -0.529 68.337 68.868 -0.003 0.000 0.866 99 T HN 0.290 nan 8.240 nan 0.000 0.434 100 L N 1.629 122.794 121.223 -0.097 0.000 2.017 100 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 100 L C 2.523 179.327 176.870 -0.111 0.000 1.073 100 L CA 2.099 56.865 54.840 -0.122 0.000 0.745 100 L CB -1.173 40.819 42.059 -0.113 0.000 0.894 100 L HN 0.200 nan 8.230 nan 0.000 0.432 101 A N -1.575 121.194 122.820 -0.084 0.000 1.898 101 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 101 A C 2.255 179.795 177.584 -0.073 0.000 1.181 101 A CA 2.105 54.097 52.037 -0.074 0.000 0.620 101 A CB -1.208 17.762 19.000 -0.050 0.000 0.819 101 A HN 0.522 nan 8.150 nan 0.000 0.442 102 T N 0.132 114.650 114.554 -0.060 0.000 2.788 102 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 102 T C 2.219 176.884 174.700 -0.058 0.000 1.044 102 T CA 1.674 63.746 62.100 -0.047 0.000 1.139 102 T CB -0.250 68.601 68.868 -0.028 0.000 0.867 102 T HN 0.498 nan 8.240 nan 0.000 0.454 103 S N 1.193 116.841 115.700 -0.086 0.000 2.368 103 S HA 0.012 4.482 4.470 -0.000 0.000 0.224 103 S C 1.891 176.434 174.600 -0.096 0.000 1.029 103 S CA 0.558 58.701 58.200 -0.094 0.000 0.988 103 S CB -0.383 62.727 63.200 -0.151 0.000 0.838 103 S HN 0.253 nan 8.310 nan 0.000 0.462 104 L N 1.796 122.921 121.223 -0.163 0.000 2.093 104 L HA 0.099 4.439 4.340 -0.000 0.000 0.208 104 L C 2.320 178.985 176.870 -0.342 0.000 1.085 104 L CA 1.543 56.206 54.840 -0.295 0.000 0.755 104 L CB -0.875 40.973 42.059 -0.350 0.000 0.904 104 L HN 0.246 nan 8.230 nan 0.000 0.435 105 A N -0.575 122.149 122.820 -0.159 0.000 1.933 105 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 105 A C 2.434 180.019 177.584 0.003 0.000 1.175 105 A CA 1.616 53.627 52.037 -0.043 0.000 0.628 105 A CB -1.041 17.957 19.000 -0.003 0.000 0.814 105 A HN 0.527 nan 8.150 nan 0.000 0.444 106 A N -1.197 121.621 122.820 -0.004 0.000 1.898 106 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 106 A C 2.016 179.630 177.584 0.050 0.000 1.181 106 A CA 1.505 53.556 52.037 0.024 0.000 0.620 106 A CB -0.719 18.296 19.000 0.026 0.000 0.819 106 A HN 0.692 nan 8.150 nan 0.000 0.442 107 F N -0.457 119.439 119.950 -0.090 0.000 2.161 107 F HA -0.200 4.327 4.527 -0.000 0.000 0.300 107 F C 1.879 177.721 175.800 0.070 0.000 1.089 107 F CA 1.431 59.396 58.000 -0.059 0.000 1.282 107 F CB -0.313 38.595 39.000 -0.154 0.000 1.010 107 F HN 0.320 nan 8.300 nan 0.000 0.485 108 Y N 0.321 120.590 120.300 -0.050 0.000 2.574 108 Y HA -0.071 4.479 4.550 -0.000 0.000 0.294 108 Y C 1.887 177.691 175.900 -0.161 0.000 1.142 108 Y CA 0.871 58.894 58.100 -0.128 0.000 1.314 108 Y CB -0.983 37.477 38.460 -0.000 0.000 0.991 108 Y HN 0.338 nan 8.280 nan 0.000 0.555 109 Q N -0.805 119.001 119.800 0.010 0.000 2.159 109 Q HA 0.210 4.550 4.340 -0.000 0.000 0.217 109 Q C -0.026 175.930 176.000 -0.074 0.000 0.818 109 Q CA -0.190 55.594 55.803 -0.030 0.000 1.008 109 Q CB 0.570 29.304 28.738 -0.005 0.000 1.148 109 Q HN 0.199 nan 8.270 nan 0.000 0.491 110 R N 0.532 120.948 120.500 -0.140 0.000 3.525 110 R HA -0.172 4.168 4.340 -0.000 0.000 0.276 110 R C -0.842 175.428 176.300 -0.051 0.000 1.116 110 R CA 0.494 56.507 56.100 -0.144 0.000 0.745 110 R CB -1.979 28.244 30.300 -0.128 0.000 1.185 110 R HN 0.279 nan 8.270 nan 0.000 0.454 111 I N 1.160 121.720 120.570 -0.018 0.000 2.312 111 I HA 0.264 4.433 4.170 -0.000 0.000 0.290 111 I C -1.844 174.309 176.117 0.060 0.000 1.008 111 I CA -2.472 58.836 61.300 0.014 0.000 1.226 111 I CB 1.313 39.313 38.000 0.000 0.000 1.371 111 I HN -0.230 nan 8.210 nan 0.000 0.468 112 P HA -0.002 nan 4.420 nan 0.000 0.265 112 P C -0.724 176.670 177.300 0.156 0.000 1.187 112 P CA 0.034 63.221 63.100 0.146 0.000 0.766 112 P CB 0.551 32.384 31.700 0.222 0.000 0.820 113 V N 2.948 122.949 119.914 0.145 0.000 2.513 113 V HA 0.640 4.760 4.120 -0.000 0.000 0.299 113 V C 0.697 176.878 176.094 0.145 0.000 1.035 113 V CA -0.359 62.001 62.300 0.100 0.000 0.889 113 V CB 1.892 33.725 31.823 0.016 0.000 0.988 113 V HN 0.708 nan 8.190 nan 0.000 0.440 114 G N 1.652 110.528 108.800 0.127 0.000 2.437 114 G HA2 0.450 4.409 3.960 -0.000 0.000 0.315 114 G HA3 0.450 4.409 3.960 -0.000 0.000 0.315 114 G C -0.806 174.175 174.900 0.135 0.000 1.210 114 G CA -0.334 44.843 45.100 0.128 0.000 0.943 114 G HN 0.847 nan 8.290 nan 0.000 0.471 115 H N 2.914 121.898 119.070 -0.142 0.000 2.640 115 H HA 0.395 4.951 4.556 -0.000 0.000 0.297 115 H C -0.375 174.975 175.328 0.036 0.000 1.073 115 H CA -0.679 55.313 56.048 -0.094 0.000 1.305 115 H CB 1.125 30.762 29.762 -0.209 0.000 1.404 115 H HN 0.215 nan 8.280 nan 0.000 0.459 116 V N 5.362 125.409 119.914 0.223 0.000 2.546 116 V HA -0.004 4.116 4.120 -0.000 0.000 0.284 116 V C 0.455 176.387 176.094 -0.270 0.000 1.050 116 V CA -0.307 62.067 62.300 0.124 0.000 0.981 116 V CB 1.119 33.056 31.823 0.191 0.000 0.990 116 V HN 1.022 nan 8.190 nan 0.000 0.474 117 E N 2.249 122.336 120.200 -0.189 0.000 2.689 117 E HA -0.153 4.197 4.350 -0.000 0.000 0.165 117 E C -0.495 175.803 176.600 -0.503 0.000 1.609 117 E CA 0.451 56.682 56.400 -0.283 0.000 0.674 117 E CB -0.780 28.712 29.700 -0.348 0.000 1.103 117 E HN 1.078 nan 8.360 nan 0.000 0.373 118 A N 2.043 124.627 122.820 -0.393 0.000 2.386 118 A HA 0.815 5.135 4.320 -0.000 0.000 0.311 118 A C 0.992 178.483 177.584 -0.155 0.000 1.068 118 A CA 0.337 52.108 52.037 -0.443 0.000 0.743 118 A CB 1.956 20.718 19.000 -0.397 0.000 1.258 118 A HN 1.271 nan 8.150 nan 0.000 0.429 119 G N 0.203 108.944 108.800 -0.098 0.000 2.205 119 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.180 119 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.180 119 G C -0.408 174.475 174.900 -0.029 0.000 1.004 119 G CA -0.178 44.890 45.100 -0.052 0.000 0.670 119 G HN 0.801 nan 8.290 nan 0.000 0.496 120 L N 2.076 123.281 121.223 -0.029 0.000 2.319 120 L HA 0.760 5.100 4.340 -0.000 0.000 0.280 120 L C 0.650 177.522 176.870 0.003 0.000 1.099 120 L CA -0.128 54.709 54.840 -0.006 0.000 0.828 120 L CB 0.704 42.756 42.059 -0.011 0.000 1.150 120 L HN 0.150 nan 8.230 nan 0.000 0.442 121 R N 1.088 121.594 120.500 0.011 0.000 2.799 121 R HA 0.680 5.020 4.340 -0.000 0.000 0.270 121 R C 0.463 176.775 176.300 0.019 0.000 1.010 121 R CA -0.054 56.054 56.100 0.013 0.000 0.916 121 R CB 1.732 32.038 30.300 0.010 0.000 1.228 121 R HN 0.677 nan 8.270 nan 0.000 0.469 122 T N -4.420 110.146 114.554 0.021 0.000 3.010 122 T HA 0.203 4.553 4.350 -0.000 0.000 0.253 122 T C 1.082 175.795 174.700 0.022 0.000 0.939 122 T CA 0.598 62.713 62.100 0.025 0.000 0.910 122 T CB 0.658 69.545 68.868 0.032 0.000 1.226 122 T HN 0.820 nan 8.240 nan 0.000 0.508 123 G N 1.462 110.273 108.800 0.018 0.000 2.157 123 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.248 123 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.248 123 G C -0.347 174.563 174.900 0.018 0.000 0.979 123 G CA 0.172 45.281 45.100 0.015 0.000 0.650 123 G HN 0.723 nan 8.290 nan 0.000 0.529 124 D N 0.068 120.482 120.400 0.023 0.000 2.425 124 D HA 0.468 5.108 4.640 -0.000 0.000 0.240 124 D C 1.410 177.712 176.300 0.002 0.000 1.080 124 D CA -0.751 53.270 54.000 0.035 0.000 0.836 124 D CB 1.301 42.140 40.800 0.065 0.000 1.125 124 D HN 0.013 nan 8.370 nan 0.000 0.525 125 L N 4.810 125.990 121.223 -0.071 0.000 2.129 125 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 125 L C 0.637 177.286 176.870 -0.367 0.000 1.087 125 L CA 1.879 56.556 54.840 -0.272 0.000 0.757 125 L CB -0.476 41.313 42.059 -0.451 0.000 0.896 125 L HN 0.479 nan 8.230 nan 0.000 0.434 126 Y N -1.768 118.612 120.300 0.134 0.000 2.658 126 Y HA 0.472 5.022 4.550 -0.000 0.000 0.276 126 Y C 0.546 176.543 175.900 0.162 0.000 1.167 126 Y CA -0.087 58.117 58.100 0.175 0.000 1.230 126 Y CB 0.264 38.743 38.460 0.032 0.000 1.144 126 Y HN 0.097 nan 8.280 nan 0.000 0.529 127 S N 1.927 117.753 115.700 0.209 0.000 2.599 127 S HA 0.305 4.775 4.470 -0.000 0.000 0.269 127 S C -3.115 171.549 174.600 0.107 0.000 1.135 127 S CA -1.112 57.187 58.200 0.165 0.000 1.027 127 S CB 1.042 64.318 63.200 0.126 0.000 1.129 127 S HN -0.074 nan 8.310 nan 0.000 0.458 128 P HA 0.350 nan 4.420 nan 0.000 0.276 128 P C -1.231 176.192 177.300 0.204 0.000 1.244 128 P CA -0.362 62.823 63.100 0.142 0.000 0.801 128 P CB 0.551 32.309 31.700 0.097 0.000 1.006 129 W N 4.816 126.146 121.300 0.050 0.000 2.656 129 W HA 0.436 5.096 4.660 -0.000 0.000 0.327 129 W C -1.885 174.664 176.519 0.050 0.000 1.041 129 W CA -1.956 55.422 57.345 0.056 0.000 1.229 129 W CB 1.990 31.517 29.460 0.111 0.000 1.397 129 W HN 0.292 nan 8.180 nan 0.000 0.479 130 P HA 0.107 nan 4.420 nan 0.000 0.266 130 P C 0.321 177.453 177.300 -0.280 0.000 1.381 130 P CA 0.337 63.013 63.100 -0.706 0.000 0.940 130 P CB 0.785 31.903 31.700 -0.971 0.000 1.435 131 E N 1.121 121.245 120.200 -0.128 0.000 2.085 131 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 131 E C 1.946 178.524 176.600 -0.037 0.000 0.994 131 E CA 1.492 57.857 56.400 -0.059 0.000 0.801 131 E CB -0.476 29.220 29.700 -0.005 0.000 0.743 131 E HN 0.334 nan 8.360 nan 0.000 0.453 132 E N 0.475 120.664 120.200 -0.018 0.000 2.058 132 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 132 E C 1.849 178.429 176.600 -0.032 0.000 0.997 132 E CA 1.606 58.000 56.400 -0.010 0.000 0.801 132 E CB -0.350 29.353 29.700 0.005 0.000 0.746 132 E HN 0.232 nan 8.360 nan 0.000 0.450 133 A N 0.378 123.157 122.820 -0.068 0.000 1.968 133 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 133 A C 1.975 179.516 177.584 -0.072 0.000 1.169 133 A CA 1.364 53.356 52.037 -0.076 0.000 0.638 133 A CB -0.594 18.343 19.000 -0.105 0.000 0.812 133 A HN 0.258 nan 8.150 nan 0.000 0.446 134 N N 0.572 119.218 118.700 -0.091 0.000 2.043 134 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 134 N C 1.938 177.416 175.510 -0.054 0.000 1.037 134 N CA 1.902 54.901 53.050 -0.086 0.000 0.851 134 N CB -0.557 37.876 38.487 -0.090 0.000 1.027 134 N HN 0.754 nan 8.380 nan 0.000 0.422 135 R N 0.066 120.562 120.500 -0.006 0.000 2.115 135 R HA 0.033 4.372 4.340 -0.000 0.000 0.230 135 R C 1.638 177.977 176.300 0.065 0.000 1.111 135 R CA 1.444 57.587 56.100 0.071 0.000 0.976 135 R CB -1.006 29.347 30.300 0.088 0.000 0.870 135 R HN 0.045 nan 8.270 nan 0.000 0.445 136 T N 2.198 116.772 114.554 0.033 0.000 2.737 136 T HA 0.044 4.394 4.350 -0.000 0.000 0.265 136 T C 1.997 176.760 174.700 0.104 0.000 1.038 136 T CA 1.196 63.336 62.100 0.065 0.000 1.144 136 T CB -0.106 68.801 68.868 0.065 0.000 0.866 136 T HN 0.121 nan 8.240 nan 0.000 0.434 137 L N 0.694 121.936 121.223 0.033 0.000 2.056 137 L HA -0.080 4.259 4.340 -0.000 0.000 0.207 137 L C 2.917 179.755 176.870 -0.054 0.000 1.078 137 L CA 1.177 56.021 54.840 0.008 0.000 0.749 137 L CB -1.217 40.807 42.059 -0.059 0.000 0.901 137 L HN 0.283 nan 8.230 nan 0.000 0.433 138 T N -0.007 114.470 114.554 -0.128 0.000 2.746 138 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 138 T C 1.862 176.416 174.700 -0.243 0.000 1.039 138 T CA 1.411 63.354 62.100 -0.262 0.000 1.142 138 T CB -0.531 68.062 68.868 -0.458 0.000 0.866 138 T HN 0.566 nan 8.240 nan 0.000 0.444 139 G N 0.964 109.693 108.800 -0.118 0.000 2.442 139 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.219 139 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.219 139 G C 1.284 176.109 174.900 -0.125 0.000 1.141 139 G CA 0.573 45.668 45.100 -0.010 0.000 0.763 139 G HN 0.546 nan 8.290 nan 0.000 0.554 140 H N -0.301 118.770 119.070 0.002 0.000 2.556 140 H HA 0.209 4.765 4.556 -0.000 0.000 0.268 140 H C 1.808 177.085 175.328 -0.085 0.000 0.996 140 H CA 0.428 56.457 56.048 -0.031 0.000 1.157 140 H CB 0.390 30.109 29.762 -0.072 0.000 1.355 140 H HN 0.315 nan 8.280 nan 0.000 0.597 141 L N -0.316 120.870 121.223 -0.061 0.000 2.766 141 L HA 0.318 4.658 4.340 -0.000 0.000 0.242 141 L C 1.122 177.955 176.870 -0.060 0.000 1.136 141 L CA -0.199 54.574 54.840 -0.112 0.000 0.933 141 L CB 0.502 42.447 42.059 -0.189 0.000 1.241 141 L HN 0.042 nan 8.230 nan 0.000 0.522 145 H N 3.025 121.895 119.070 -0.333 0.000 2.708 145 H HA 0.548 5.104 4.556 -0.000 0.000 0.320 145 H C -1.447 173.699 175.328 -0.304 0.000 0.991 145 H CA -1.055 54.795 56.048 -0.330 0.000 1.243 145 H CB 0.527 30.165 29.762 -0.207 0.000 1.446 145 H HN 0.372 nan 8.280 nan 0.000 0.502 146 F N 1.605 121.669 119.950 0.191 0.000 2.334 146 F HA 0.331 4.857 4.527 -0.000 0.000 0.365 146 F C 0.464 176.293 175.800 0.048 0.000 1.124 146 F CA -0.486 57.604 58.000 0.151 0.000 1.166 146 F CB 0.607 39.655 39.000 0.081 0.000 1.355 146 F HN 0.330 nan 8.300 nan 0.000 0.532 147 S N 4.830 120.646 115.700 0.194 0.000 2.525 147 S HA 0.285 4.754 4.470 -0.000 0.000 0.278 147 S C -1.570 173.092 174.600 0.104 0.000 1.234 147 S CA -1.060 57.195 58.200 0.091 0.000 1.058 147 S CB 1.612 64.839 63.200 0.044 0.000 0.983 147 S HN 0.278 nan 8.310 nan 0.000 0.495 148 P HA 0.026 nan 4.420 nan 0.000 0.218 148 P C 0.558 177.915 177.300 0.094 0.000 1.152 148 P CA 0.936 64.107 63.100 0.117 0.000 0.826 148 P CB 0.001 31.803 31.700 0.170 0.000 0.790 149 T N -4.952 109.643 114.554 0.068 0.000 2.778 149 T HA 0.383 4.733 4.350 -0.000 0.000 0.293 149 T C 0.805 175.509 174.700 0.007 0.000 1.144 149 T CA -0.568 61.544 62.100 0.020 0.000 1.010 149 T CB 1.795 70.655 68.868 -0.014 0.000 1.325 149 T HN -0.232 nan 8.240 nan 0.000 0.515 150 E N 0.583 120.776 120.200 -0.012 0.000 2.110 150 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 150 E C 1.907 178.496 176.600 -0.017 0.000 0.988 150 E CA 2.225 58.615 56.400 -0.017 0.000 0.804 150 E CB -0.973 28.714 29.700 -0.022 0.000 0.745 150 E HN 0.713 nan 8.360 nan 0.000 0.458 151 T N -0.335 114.212 114.554 -0.012 0.000 2.746 151 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 151 T C 1.937 176.635 174.700 -0.004 0.000 1.039 151 T CA 1.643 63.739 62.100 -0.005 0.000 1.142 151 T CB -0.470 68.402 68.868 0.007 0.000 0.866 151 T HN 0.394 nan 8.240 nan 0.000 0.444 152 S N 1.961 117.664 115.700 0.005 0.000 2.387 152 S HA -0.091 4.378 4.470 -0.000 0.000 0.226 152 S C 2.066 176.646 174.600 -0.033 0.000 1.026 152 S CA 0.770 58.967 58.200 -0.005 0.000 0.972 152 S CB -0.393 62.813 63.200 0.011 0.000 0.814 152 S HN 0.537 nan 8.310 nan 0.000 0.477 153 R N 1.407 121.886 120.500 -0.036 0.000 2.075 153 R HA -0.061 4.278 4.340 -0.000 0.000 0.232 153 R C 2.388 178.642 176.300 -0.077 0.000 1.126 153 R CA 1.617 57.676 56.100 -0.067 0.000 0.963 153 R CB -0.460 29.804 30.300 -0.060 0.000 0.858 153 R HN 0.525 nan 8.270 nan 0.000 0.435 154 Q N 0.090 119.858 119.800 -0.054 0.000 2.170 154 Q HA -0.111 4.229 4.340 -0.000 0.000 0.203 154 Q C 1.767 177.738 176.000 -0.050 0.000 0.976 154 Q CA 1.381 57.154 55.803 -0.050 0.000 0.858 154 Q CB -0.068 28.649 28.738 -0.034 0.000 0.907 154 Q HN 0.418 nan 8.270 nan 0.000 0.433 155 N N 0.650 119.323 118.700 -0.044 0.000 2.120 155 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 155 N C 1.758 177.230 175.510 -0.063 0.000 1.024 155 N CA 1.005 54.031 53.050 -0.040 0.000 0.852 155 N CB -0.164 38.306 38.487 -0.028 0.000 1.003 155 N HN 0.227 nan 8.380 nan 0.000 0.424 156 L N 0.453 121.616 121.223 -0.100 0.000 2.093 156 L HA -0.061 4.278 4.340 -0.000 0.000 0.208 156 L C 2.165 178.938 176.870 -0.161 0.000 1.085 156 L CA 0.626 55.366 54.840 -0.167 0.000 0.755 156 L CB -0.369 41.537 42.059 -0.255 0.000 0.904 156 L HN 0.112 nan 8.230 nan 0.000 0.435 157 L N -0.593 120.552 121.223 -0.129 0.000 2.093 157 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 157 L C 2.738 179.568 176.870 -0.068 0.000 1.085 157 L CA 0.741 55.517 54.840 -0.106 0.000 0.755 157 L CB -0.386 41.620 42.059 -0.089 0.000 0.904 157 L HN 0.187 nan 8.230 nan 0.000 0.435 158 R N 0.826 121.295 120.500 -0.051 0.000 2.193 158 R HA -0.135 4.205 4.340 -0.000 0.000 0.229 158 R C 1.546 177.838 176.300 -0.013 0.000 1.110 158 R CA 1.233 57.316 56.100 -0.029 0.000 0.988 158 R CB -0.178 30.109 30.300 -0.021 0.000 0.871 158 R HN 0.399 nan 8.270 nan 0.000 0.458 159 E N -0.620 119.575 120.200 -0.008 0.000 2.444 159 E HA 0.058 4.408 4.350 -0.000 0.000 0.191 159 E C -0.231 176.412 176.600 0.072 0.000 1.041 159 E CA -0.057 56.374 56.400 0.052 0.000 0.883 159 E CB 0.196 29.958 29.700 0.104 0.000 1.024 159 E HN 0.226 nan 8.360 nan 0.000 0.470 160 N N 0.252 118.953 118.700 0.000 0.000 2.829 160 N HA -0.154 4.586 4.740 -0.000 0.000 0.250 160 N C -0.858 174.625 175.510 -0.046 0.000 1.090 160 N CA 0.334 53.376 53.050 -0.014 0.000 0.781 160 N CB -1.412 37.079 38.487 0.007 0.000 1.124 160 N HN -0.033 nan 8.380 nan 0.000 0.559 161 V N 0.698 120.537 119.914 -0.125 0.000 2.715 161 V HA 0.523 4.643 4.120 -0.000 0.000 0.299 161 V C 1.310 177.278 176.094 -0.210 0.000 1.054 161 V CA -0.047 62.111 62.300 -0.237 0.000 1.077 161 V CB 1.101 32.629 31.823 -0.492 0.000 0.972 161 V HN 0.420 nan 8.190 nan 0.000 0.484 162 A N 2.914 125.625 122.820 -0.183 0.000 2.450 162 A HA 0.146 4.466 4.320 -0.000 0.000 0.255 162 A C 1.300 178.766 177.584 -0.196 0.000 1.096 162 A CA -0.168 51.779 52.037 -0.149 0.000 0.778 162 A CB 0.009 18.946 19.000 -0.105 0.000 1.031 162 A HN 0.956 nan 8.150 nan 0.000 0.494 163 D N 1.940 122.243 120.400 -0.162 0.000 2.149 163 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 163 D C 2.171 178.343 176.300 -0.213 0.000 1.001 163 D CA 2.332 56.231 54.000 -0.170 0.000 0.849 163 D CB -0.015 40.718 40.800 -0.112 0.000 0.939 163 D HN 0.659 nan 8.370 nan 0.000 0.449 164 S N -0.914 114.684 115.700 -0.170 0.000 2.595 164 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 164 S C 1.398 175.832 174.600 -0.277 0.000 0.974 164 S CA 0.249 58.350 58.200 -0.165 0.000 0.942 164 S CB 0.006 63.164 63.200 -0.070 0.000 0.766 164 S HN 0.123 nan 8.310 nan 0.000 0.536 165 R N 0.461 120.757 120.500 -0.339 0.000 2.472 165 R HA 0.483 4.823 4.340 -0.000 0.000 0.279 165 R C -0.320 175.644 176.300 -0.560 0.000 0.953 165 R CA -0.093 55.801 56.100 -0.345 0.000 1.088 165 R CB -0.194 30.043 30.300 -0.105 0.000 1.197 165 R HN 0.474 nan 8.270 nan 0.000 0.536 166 I N 1.361 121.481 120.570 -0.750 0.000 2.362 166 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 166 I C -0.828 174.846 176.117 -0.739 0.000 0.994 166 I CA -0.731 60.221 61.300 -0.581 0.000 1.158 166 I CB 1.055 38.851 38.000 -0.340 0.000 1.315 166 I HN -0.216 nan 8.210 nan 0.000 0.451 167 F N 6.241 126.244 119.950 0.089 0.000 2.477 167 F HA 0.442 4.969 4.527 -0.000 0.000 0.335 167 F C 0.084 175.972 175.800 0.147 0.000 1.130 167 F CA -0.929 57.161 58.000 0.150 0.000 0.948 167 F CB 1.253 40.428 39.000 0.292 0.000 1.154 167 F HN 0.169 nan 8.300 nan 0.000 0.439 168 I N 3.416 124.117 120.570 0.220 0.000 2.389 168 I HA 0.058 4.228 4.170 -0.000 0.000 0.295 168 I C 1.225 177.439 176.117 0.161 0.000 1.117 168 I CA 0.258 61.647 61.300 0.149 0.000 1.317 168 I CB -0.005 38.042 38.000 0.079 0.000 1.431 168 I HN 0.775 nan 8.210 nan 0.000 0.521 169 T N 1.351 116.007 114.554 0.171 0.000 3.001 169 T HA 0.414 4.764 4.350 -0.000 0.000 0.251 169 T C 0.914 175.654 174.700 0.067 0.000 1.040 169 T CA 0.212 62.379 62.100 0.112 0.000 0.985 169 T CB 0.523 69.454 68.868 0.104 0.000 1.011 169 T HN 0.872 nan 8.240 nan 0.000 0.509 170 G N 1.593 110.442 108.800 0.081 0.000 2.757 170 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.638 170 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.638 170 G C -0.998 173.953 174.900 0.086 0.000 1.344 170 G CA -0.533 44.614 45.100 0.077 0.000 0.855 170 G HN 0.590 nan 8.290 nan 0.000 0.537 171 N N 0.126 118.887 118.700 0.102 0.000 2.455 171 N HA 0.416 5.156 4.740 -0.000 0.000 0.280 171 N C 1.911 177.454 175.510 0.056 0.000 1.055 171 N CA 0.492 53.595 53.050 0.088 0.000 0.961 171 N CB 1.317 39.867 38.487 0.106 0.000 1.121 171 N HN 0.995 nan 8.380 nan 0.000 0.476 172 T N -0.344 114.227 114.554 0.029 0.000 3.007 172 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 172 T C 1.756 176.449 174.700 -0.012 0.000 1.107 172 T CA 0.667 62.758 62.100 -0.015 0.000 1.118 172 T CB -0.235 68.591 68.868 -0.070 0.000 0.889 172 T HN 0.239 nan 8.240 nan 0.000 0.506 173 V N 0.877 120.796 119.914 0.008 0.000 2.720 173 V HA -0.025 4.094 4.120 -0.000 0.000 0.256 173 V C 2.203 178.351 176.094 0.090 0.000 1.082 173 V CA 1.345 63.658 62.300 0.022 0.000 1.101 173 V CB -0.574 31.262 31.823 0.022 0.000 0.693 173 V HN 0.635 nan 8.190 nan 0.000 0.479 174 I N -0.066 120.559 120.570 0.091 0.000 2.406 174 I HA -0.113 4.057 4.170 -0.000 0.000 0.249 174 I C 2.123 178.319 176.117 0.133 0.000 1.122 174 I CA 1.491 62.858 61.300 0.111 0.000 1.431 174 I CB -0.425 37.632 38.000 0.096 0.000 1.087 174 I HN 0.293 nan 8.210 nan 0.000 0.424 175 D N 1.427 121.895 120.400 0.113 0.000 2.117 175 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 175 D C 2.264 178.717 176.300 0.255 0.000 0.987 175 D CA 1.503 55.590 54.000 0.146 0.000 0.829 175 D CB -0.256 40.588 40.800 0.072 0.000 0.961 175 D HN 0.324 nan 8.370 nan 0.000 0.460 176 A N 0.441 123.394 122.820 0.223 0.000 1.902 176 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 176 A C 2.089 179.977 177.584 0.506 0.000 1.181 176 A CA 1.002 53.279 52.037 0.400 0.000 0.623 176 A CB -0.761 18.359 19.000 0.200 0.000 0.818 176 A HN 0.244 nan 8.150 nan 0.000 0.443 177 L N -0.153 121.283 121.223 0.356 0.000 2.017 177 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 177 L C 2.277 179.274 176.870 0.211 0.000 1.073 177 L CA 1.688 56.699 54.840 0.284 0.000 0.745 177 L CB -0.454 41.726 42.059 0.202 0.000 0.894 177 L HN 0.399 nan 8.230 nan 0.000 0.432 178 L N -2.325 119.020 121.223 0.203 0.000 2.141 178 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 178 L C 2.368 179.338 176.870 0.166 0.000 1.094 178 L CA 1.299 56.230 54.840 0.151 0.000 0.763 178 L CB -0.711 41.432 42.059 0.139 0.000 0.908 178 L HN 0.452 nan 8.230 nan 0.000 0.437 179 W N 0.238 121.590 121.300 0.087 0.000 2.355 179 W HA -0.171 4.489 4.660 -0.000 0.000 0.309 179 W C 2.385 178.872 176.519 -0.052 0.000 1.206 179 W CA 1.534 58.899 57.345 0.033 0.000 1.284 179 W CB -0.279 29.239 29.460 0.098 0.000 1.145 179 W HN -0.215 nan 8.180 nan 0.000 0.502 180 V N 0.850 120.881 119.914 0.194 0.000 2.261 180 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 180 V C 2.661 178.706 176.094 -0.081 0.000 1.047 180 V CA 2.142 64.457 62.300 0.026 0.000 1.015 180 V CB -0.919 30.962 31.823 0.097 0.000 0.642 180 V HN 0.094 nan 8.190 nan 0.000 0.446 181 R N -0.007 120.472 120.500 -0.034 0.000 2.096 181 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 181 R C 1.813 178.057 176.300 -0.094 0.000 1.127 181 R CA 2.006 58.073 56.100 -0.056 0.000 0.968 181 R CB -0.460 29.820 30.300 -0.033 0.000 0.861 181 R HN 0.568 nan 8.270 nan 0.000 0.440 182 D N -0.751 119.573 120.400 -0.127 0.000 2.323 182 D HA -0.017 4.622 4.640 -0.000 0.000 0.218 182 D C 1.719 177.856 176.300 -0.272 0.000 0.973 182 D CA 0.494 54.400 54.000 -0.156 0.000 0.890 182 D CB 0.052 40.788 40.800 -0.107 0.000 1.011 182 D HN 0.099 nan 8.370 nan 0.000 0.499 183 Q N 0.375 119.871 119.800 -0.505 0.000 2.408 183 Q HA 0.152 4.492 4.340 -0.000 0.000 0.205 183 Q C 0.464 176.075 176.000 -0.649 0.000 0.919 183 Q CA 0.166 55.545 55.803 -0.706 0.000 0.932 183 Q CB 1.619 29.525 28.738 -1.388 0.000 1.058 183 Q HN 0.129 nan 8.270 nan 0.000 0.517 187 S N 1.868 117.537 115.700 -0.051 0.000 2.416 187 S HA 0.343 4.813 4.470 -0.000 0.000 0.287 187 S C 0.722 175.313 174.600 -0.014 0.000 1.139 187 S CA -0.273 57.904 58.200 -0.038 0.000 1.058 187 S CB 0.383 63.554 63.200 -0.048 0.000 0.967 187 S HN 0.213 nan 8.310 nan 0.000 0.495 188 D N 4.347 124.742 120.400 -0.008 0.000 2.133 188 D HA -0.185 4.455 4.640 -0.000 0.000 0.192 188 D C 1.722 178.022 176.300 0.000 0.000 1.001 188 D CA 1.460 55.464 54.000 0.006 0.000 0.844 188 D CB -0.048 40.753 40.800 0.002 0.000 0.944 188 D HN 0.770 nan 8.370 nan 0.000 0.447 189 K N 0.188 120.579 120.400 -0.014 0.000 2.032 189 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 189 K C 2.185 178.764 176.600 -0.034 0.000 1.048 189 K CA 0.867 57.139 56.287 -0.025 0.000 0.927 189 K CB -0.254 32.230 32.500 -0.027 0.000 0.712 189 K HN 0.026 nan 8.250 nan 0.000 0.441 190 L N 1.534 122.739 121.223 -0.030 0.000 2.056 190 L HA -0.102 4.237 4.340 -0.000 0.000 0.207 190 L C 2.435 179.286 176.870 -0.032 0.000 1.078 190 L CA 1.616 56.434 54.840 -0.036 0.000 0.749 190 L CB -0.550 41.491 42.059 -0.031 0.000 0.901 190 L HN 0.152 nan 8.230 nan 0.000 0.433 191 R N -0.975 119.537 120.500 0.020 0.000 2.091 191 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 191 R C 2.582 178.881 176.300 -0.001 0.000 1.136 191 R CA 1.639 57.801 56.100 0.103 0.000 0.959 191 R CB -0.436 29.968 30.300 0.172 0.000 0.856 191 R HN 0.601 nan 8.270 nan 0.000 0.437 192 S N 0.417 116.103 115.700 -0.023 0.000 2.359 192 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 192 S C 1.631 176.129 174.600 -0.169 0.000 1.035 192 S CA 1.742 59.898 58.200 -0.074 0.000 1.018 192 S CB -0.194 62.978 63.200 -0.046 0.000 0.876 192 S HN 0.478 nan 8.310 nan 0.000 0.448 193 E N 0.823 120.930 120.200 -0.155 0.000 2.110 193 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 193 E C 2.206 178.624 176.600 -0.304 0.000 0.988 193 E CA 1.420 57.706 56.400 -0.191 0.000 0.804 193 E CB -0.347 29.272 29.700 -0.136 0.000 0.745 193 E HN 0.528 nan 8.360 nan 0.000 0.458 194 L N 0.636 121.644 121.223 -0.358 0.000 2.027 194 L HA -0.166 4.173 4.340 -0.000 0.000 0.206 194 L C 2.659 178.937 176.870 -0.987 0.000 1.074 194 L CA 0.961 55.465 54.840 -0.559 0.000 0.745 194 L CB -0.569 41.205 42.059 -0.475 0.000 0.898 194 L HN 0.151 nan 8.230 nan 0.000 0.433 195 A N 0.345 122.498 122.820 -1.112 0.000 1.883 195 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 195 A C 2.508 179.689 177.584 -0.671 0.000 1.186 195 A CA 1.852 53.203 52.037 -1.144 0.000 0.624 195 A CB -0.817 17.904 19.000 -0.465 0.000 0.822 195 A HN 0.411 nan 8.150 nan 0.000 0.444 196 A N 0.028 122.568 122.820 -0.466 0.000 2.131 196 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 196 A C 1.845 179.170 177.584 -0.432 0.000 1.158 196 A CA 1.514 53.338 52.037 -0.354 0.000 0.665 196 A CB -0.770 18.079 19.000 -0.250 0.000 0.795 196 A HN 0.651 nan 8.150 nan 0.000 0.460 197 N N -1.093 117.232 118.700 -0.626 0.000 2.205 197 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 197 N C -0.562 174.402 175.510 -0.910 0.000 1.015 197 N CA 1.130 53.700 53.050 -0.801 0.000 0.862 197 N CB -0.131 37.656 38.487 -1.166 0.000 0.986 197 N HN 0.644 nan 8.380 nan 0.000 0.429 198 Y N -0.014 120.007 120.300 -0.466 0.000 2.863 198 Y HA 0.339 4.889 4.550 -0.000 0.000 0.348 198 Y C -1.770 173.652 175.900 -0.798 0.000 1.028 198 Y CA -2.182 55.442 58.100 -0.793 0.000 1.213 198 Y CB 1.188 39.086 38.460 -0.937 0.000 1.120 198 Y HN -0.008 nan 8.280 nan 0.000 0.598 199 P HA -0.093 nan 4.420 nan 0.000 0.245 199 P C 0.790 178.021 177.300 -0.114 0.000 1.212 199 P CA 0.675 63.649 63.100 -0.210 0.000 0.774 199 P CB -0.149 31.493 31.700 -0.097 0.000 0.999 200 F N -1.672 118.322 119.950 0.073 0.000 2.743 200 F HA 0.294 4.821 4.527 -0.000 0.000 0.297 200 F C 0.937 176.785 175.800 0.080 0.000 1.131 200 F CA -0.997 57.045 58.000 0.071 0.000 1.426 200 F CB -1.392 37.655 39.000 0.079 0.000 1.116 200 F HN -0.324 nan 8.300 nan 0.000 0.583 201 I N 2.848 123.367 120.570 -0.086 0.000 2.517 201 I HA -0.044 4.126 4.170 -0.000 0.000 0.285 201 I C 0.288 176.457 176.117 0.086 0.000 1.106 201 I CA 0.027 61.366 61.300 0.065 0.000 1.402 201 I CB 0.049 38.025 38.000 -0.041 0.000 1.399 201 I HN 0.071 nan 8.210 nan 0.000 0.535 202 D N 10.342 130.821 120.400 0.131 0.000 2.339 202 D HA 0.098 4.738 4.640 -0.000 0.000 0.256 202 D C -1.464 174.904 176.300 0.113 0.000 1.214 202 D CA -1.840 52.219 54.000 0.099 0.000 0.877 202 D CB 1.559 42.411 40.800 0.087 0.000 1.111 202 D HN 0.246 nan 8.370 nan 0.000 0.478 203 P HA -0.132 nan 4.420 nan 0.000 0.217 203 P C 0.274 177.636 177.300 0.104 0.000 1.148 203 P CA 1.063 64.238 63.100 0.125 0.000 0.834 203 P CB 0.372 32.123 31.700 0.086 0.000 0.783 204 D N -1.041 119.393 120.400 0.057 0.000 2.340 204 D HA 0.091 4.730 4.640 -0.000 0.000 0.217 204 D C 0.568 176.862 176.300 -0.011 0.000 1.081 204 D CA 0.338 54.347 54.000 0.016 0.000 0.842 204 D CB 0.377 41.180 40.800 0.004 0.000 0.934 204 D HN 0.277 nan 8.370 nan 0.000 0.511 205 K N 0.606 121.015 120.400 0.015 0.000 2.166 205 K HA 0.377 4.697 4.320 -0.000 0.000 0.245 205 K C 0.423 176.995 176.600 -0.048 0.000 0.967 205 K CA -0.610 55.664 56.287 -0.022 0.000 0.863 205 K CB 2.236 34.747 32.500 0.018 0.000 1.107 205 K HN -0.246 nan 8.250 nan 0.000 0.436 209 L N 8.417 129.687 121.223 0.079 0.000 2.265 209 L HA 0.640 4.980 4.340 -0.000 0.000 0.288 209 L C -0.699 176.210 176.870 0.065 0.000 1.058 209 L CA -0.022 54.866 54.840 0.079 0.000 0.809 209 L CB 1.331 43.408 42.059 0.030 0.000 1.179 209 L HN 0.306 nan 8.230 nan 0.000 0.429 210 V N 4.195 124.154 119.914 0.075 0.000 2.472 210 V HA 0.735 4.855 4.120 -0.000 0.000 0.290 210 V C 0.354 176.487 176.094 0.064 0.000 1.037 210 V CA -0.149 62.106 62.300 -0.075 0.000 0.908 210 V CB 1.434 32.996 31.823 -0.436 0.000 0.985 210 V HN 0.933 nan 8.190 nan 0.000 0.454 211 T N 0.992 115.575 114.554 0.048 0.000 2.883 211 T HA 0.974 5.324 4.350 -0.000 0.000 0.296 211 T C -0.207 174.571 174.700 0.130 0.000 1.117 211 T CA -0.060 62.154 62.100 0.189 0.000 1.006 211 T CB 2.257 71.255 68.868 0.217 0.000 1.191 211 T HN 1.456 nan 8.240 nan 0.000 0.508 212 G N 0.265 109.169 108.800 0.175 0.000 2.323 212 G HA2 0.450 4.410 3.960 -0.000 0.000 0.291 212 G HA3 0.450 4.410 3.960 -0.000 0.000 0.291 212 G C -1.860 173.101 174.900 0.102 0.000 1.278 212 G CA -0.936 44.266 45.100 0.171 0.000 0.860 212 G HN 1.003 nan 8.290 nan 0.000 0.504 213 H N 0.175 119.279 119.070 0.057 0.000 2.505 213 H HA 0.677 5.233 4.556 -0.000 0.000 0.351 213 H C 1.293 176.615 175.328 -0.011 0.000 1.151 213 H CA 0.720 56.781 56.048 0.022 0.000 1.339 213 H CB 0.565 30.328 29.762 0.003 0.000 1.483 213 H HN 0.874 nan 8.280 nan 0.000 0.558 214 R N 1.869 122.418 120.500 0.082 0.000 2.640 214 R HA 0.119 4.459 4.340 -0.000 0.000 0.270 214 R C -0.145 176.105 176.300 -0.083 0.000 1.024 214 R CA -0.298 55.805 56.100 0.005 0.000 1.085 214 R CB -0.376 29.946 30.300 0.037 0.000 0.963 214 R HN 0.540 nan 8.270 nan 0.000 0.426 215 R N 2.663 123.045 120.500 -0.197 0.000 2.235 215 R HA 0.134 4.474 4.340 -0.000 0.000 0.338 215 R C -0.222 175.974 176.300 -0.174 0.000 1.087 215 R CA -0.196 55.727 56.100 -0.294 0.000 0.948 215 R CB 0.643 30.614 30.300 -0.548 0.000 1.099 215 R HN 0.897 nan 8.270 nan 0.000 0.483 216 E N 0.366 120.501 120.200 -0.108 0.000 2.479 216 E HA 0.008 4.357 4.350 -0.000 0.000 0.193 216 E C -0.003 176.588 176.600 -0.015 0.000 1.049 216 E CA 0.136 56.501 56.400 -0.058 0.000 0.870 216 E CB 0.509 30.194 29.700 -0.026 0.000 0.944 216 E HN 0.613 nan 8.360 nan 0.000 0.492 217 S N -0.503 115.200 115.700 0.006 0.000 2.611 217 S HA 0.419 4.888 4.470 -0.000 0.000 0.268 217 S C -1.422 173.292 174.600 0.190 0.000 1.156 217 S CA -1.029 57.221 58.200 0.083 0.000 0.817 217 S CB 0.795 64.029 63.200 0.057 0.000 1.122 217 S HN 0.081 nan 8.310 nan 0.000 0.466 218 F N 1.827 121.828 119.950 0.085 0.000 2.359 218 F HA 0.703 5.230 4.527 -0.000 0.000 0.370 218 F C 0.552 176.440 175.800 0.147 0.000 1.077 218 F CA -0.112 57.995 58.000 0.179 0.000 1.136 218 F CB 0.457 39.560 39.000 0.172 0.000 1.387 218 F HN 1.010 nan 8.300 nan 0.000 0.468 219 G N 4.001 112.718 108.800 -0.139 0.000 2.531 219 G HA2 0.172 4.132 3.960 -0.000 0.000 0.281 219 G HA3 0.172 4.132 3.960 -0.000 0.000 0.281 219 G C 0.556 175.288 174.900 -0.281 0.000 1.382 219 G CA -0.671 44.342 45.100 -0.144 0.000 1.045 219 G HN 0.664 nan 8.290 nan 0.000 0.533 220 R N -1.238 119.180 120.500 -0.136 0.000 2.153 220 R HA 0.078 4.418 4.340 -0.000 0.000 0.218 220 R C 2.337 178.587 176.300 -0.082 0.000 1.072 220 R CA 1.597 57.629 56.100 -0.114 0.000 0.990 220 R CB -0.597 29.675 30.300 -0.047 0.000 0.889 220 R HN 0.544 nan 8.270 nan 0.000 0.452 221 G N 0.266 109.040 108.800 -0.044 0.000 2.433 221 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.216 221 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.216 221 G C 1.141 176.083 174.900 0.070 0.000 1.186 221 G CA 0.462 45.570 45.100 0.014 0.000 0.779 221 G HN 0.336 nan 8.290 nan 0.000 0.543 222 F N 1.638 121.492 119.950 -0.159 0.000 2.134 222 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 222 F C 2.507 178.217 175.800 -0.149 0.000 1.097 222 F CA 1.532 59.455 58.000 -0.129 0.000 1.264 222 F CB -0.434 38.487 39.000 -0.131 0.000 1.001 222 F HN 0.363 nan 8.300 nan 0.000 0.479 223 E N -0.038 119.947 120.200 -0.359 0.000 2.058 223 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 223 E C 2.184 178.800 176.600 0.028 0.000 0.997 223 E CA 1.663 57.925 56.400 -0.230 0.000 0.801 223 E CB -0.295 29.265 29.700 -0.234 0.000 0.746 223 E HN 0.496 nan 8.360 nan 0.000 0.450 224 E N 0.272 120.492 120.200 0.033 0.000 2.085 224 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 224 E C 2.029 178.674 176.600 0.075 0.000 0.994 224 E CA 1.570 58.021 56.400 0.086 0.000 0.801 224 E CB -0.138 29.587 29.700 0.041 0.000 0.743 224 E HN 0.381 nan 8.360 nan 0.000 0.453 225 I N -0.044 120.546 120.570 0.033 0.000 2.226 225 I HA -0.366 3.804 4.170 -0.000 0.000 0.245 225 I C 2.316 178.417 176.117 -0.027 0.000 1.100 225 I CA 0.721 62.035 61.300 0.024 0.000 1.374 225 I CB -0.249 37.798 38.000 0.078 0.000 1.057 225 I HN 0.342 nan 8.210 nan 0.000 0.413 226 C N -0.102 119.126 119.300 -0.120 0.000 2.432 226 C HA -0.188 4.272 4.460 -0.000 0.000 0.277 226 C C 2.797 177.703 174.990 -0.140 0.000 1.249 226 C CA 0.674 59.587 59.018 -0.175 0.000 1.725 226 C CB -1.432 26.143 27.740 -0.276 0.000 2.028 226 C HN 0.498 nan 8.230 nan 0.000 0.477 227 H N 0.619 119.685 119.070 -0.006 0.000 2.353 227 H HA -0.090 4.466 4.556 -0.000 0.000 0.300 227 H C 2.451 177.790 175.328 0.017 0.000 1.090 227 H CA 1.844 57.902 56.048 0.016 0.000 1.327 227 H CB -0.614 29.162 29.762 0.022 0.000 1.383 227 H HN 0.517 nan 8.280 nan 0.000 0.508 228 A N 1.410 124.303 122.820 0.123 0.000 1.883 228 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 228 A C 2.737 180.357 177.584 0.060 0.000 1.186 228 A CA 1.303 53.389 52.037 0.082 0.000 0.624 228 A CB -0.959 18.077 19.000 0.061 0.000 0.822 228 A HN 0.275 nan 8.150 nan 0.000 0.444 229 L N -0.873 120.367 121.223 0.028 0.000 2.046 229 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 229 L C 3.119 180.002 176.870 0.021 0.000 1.077 229 L CA 1.144 55.996 54.840 0.021 0.000 0.747 229 L CB -0.741 41.319 42.059 0.002 0.000 0.896 229 L HN 0.453 nan 8.230 nan 0.000 0.432 230 A N 0.361 123.181 122.820 0.001 0.000 1.877 230 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 230 A C 1.866 179.472 177.584 0.037 0.000 1.186 230 A CA 2.296 54.328 52.037 -0.007 0.000 0.620 230 A CB -0.698 18.294 19.000 -0.013 0.000 0.822 230 A HN 0.383 nan 8.150 nan 0.000 0.443 231 D N -0.311 120.132 120.400 0.071 0.000 2.178 231 D HA -0.068 4.572 4.640 -0.000 0.000 0.202 231 D C 1.727 178.069 176.300 0.070 0.000 0.974 231 D CA 0.995 55.037 54.000 0.070 0.000 0.841 231 D CB -0.205 40.643 40.800 0.079 0.000 0.953 231 D HN 0.532 nan 8.370 nan 0.000 0.478 232 I N 0.762 121.394 120.570 0.102 0.000 2.163 232 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 232 I C 2.425 178.646 176.117 0.172 0.000 1.081 232 I CA 1.003 62.413 61.300 0.182 0.000 1.353 232 I CB -0.268 37.827 38.000 0.159 0.000 1.054 232 I HN -0.024 nan 8.210 nan 0.000 0.407 233 A N 0.960 123.838 122.820 0.096 0.000 1.883 233 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 233 A C 2.446 180.053 177.584 0.038 0.000 1.186 233 A CA 2.802 54.879 52.037 0.066 0.000 0.624 233 A CB -1.398 17.616 19.000 0.023 0.000 0.822 233 A HN 0.545 nan 8.150 nan 0.000 0.444 234 T N -3.245 111.318 114.554 0.016 0.000 2.788 234 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 234 T C 1.755 176.429 174.700 -0.043 0.000 1.044 234 T CA 2.029 64.128 62.100 -0.001 0.000 1.139 234 T CB -0.944 67.934 68.868 0.018 0.000 0.867 234 T HN 0.331 nan 8.240 nan 0.000 0.454 235 T N 0.842 115.335 114.554 -0.101 0.000 2.942 235 T HA -0.017 4.333 4.350 -0.000 0.000 0.265 235 T C 0.436 174.887 174.700 -0.415 0.000 1.062 235 T CA 0.688 62.617 62.100 -0.284 0.000 1.139 235 T CB -0.221 68.389 68.868 -0.431 0.000 0.883 235 T HN 0.589 nan 8.240 nan 0.000 0.468 236 H N 1.918 120.987 119.070 -0.002 0.000 2.632 236 H HA 0.307 4.863 4.556 -0.000 0.000 0.258 236 H C 0.586 175.897 175.328 -0.029 0.000 1.278 236 H CA -0.482 55.552 56.048 -0.023 0.000 1.352 236 H CB 0.823 30.565 29.762 -0.033 0.000 1.418 236 H HN 0.135 nan 8.280 nan 0.000 0.513 237 Q N 1.199 121.025 119.800 0.043 0.000 2.297 237 Q HA -0.121 4.219 4.340 -0.000 0.000 0.208 237 Q C 1.188 177.196 176.000 0.014 0.000 0.981 237 Q CA 1.120 56.936 55.803 0.022 0.000 0.876 237 Q CB 0.098 28.838 28.738 0.005 0.000 0.921 237 Q HN 0.726 nan 8.270 nan 0.000 0.446 238 D N 0.050 120.452 120.400 0.004 0.000 2.347 238 D HA -0.042 4.598 4.640 -0.000 0.000 0.215 238 D C 1.052 177.309 176.300 -0.073 0.000 0.976 238 D CA 0.008 53.981 54.000 -0.046 0.000 0.884 238 D CB -0.282 40.465 40.800 -0.087 0.000 0.915 238 D HN 0.346 nan 8.370 nan 0.000 0.526 239 I N -2.594 117.955 120.570 -0.035 0.000 2.750 239 I HA 0.505 4.675 4.170 -0.000 0.000 0.308 239 I C -0.917 175.219 176.117 0.033 0.000 1.016 239 I CA -0.895 60.383 61.300 -0.037 0.000 1.098 239 I CB 2.070 40.039 38.000 -0.052 0.000 1.279 239 I HN -0.279 nan 8.210 nan 0.000 0.454 240 Q N 4.410 124.247 119.800 0.062 0.000 2.375 240 Q HA 0.670 5.010 4.340 -0.000 0.000 0.271 240 Q C -1.452 174.617 176.000 0.115 0.000 1.074 240 Q CA -0.725 55.135 55.803 0.095 0.000 0.808 240 Q CB 3.030 31.848 28.738 0.134 0.000 1.327 240 Q HN 0.652 nan 8.270 nan 0.000 0.441 241 I N 2.031 122.663 120.570 0.104 0.000 2.382 241 I HA 0.364 4.534 4.170 -0.000 0.000 0.286 241 I C -0.854 175.335 176.117 0.121 0.000 1.002 241 I CA -0.893 60.472 61.300 0.109 0.000 1.135 241 I CB 1.728 39.778 38.000 0.085 0.000 1.288 241 I HN 0.221 nan 8.210 nan 0.000 0.448 242 V N 6.835 126.843 119.914 0.156 0.000 2.384 242 V HA 0.300 4.420 4.120 -0.000 0.000 0.287 242 V C -1.021 175.227 176.094 0.257 0.000 1.020 242 V CA -0.688 61.721 62.300 0.182 0.000 0.850 242 V CB 1.571 33.527 31.823 0.221 0.000 0.987 242 V HN 0.484 nan 8.190 nan 0.000 0.436 243 Y N 8.006 128.358 120.300 0.086 0.000 2.488 243 Y HA 0.552 5.102 4.550 -0.000 0.000 0.330 243 Y C -2.877 173.101 175.900 0.131 0.000 1.013 243 Y CA -3.649 54.521 58.100 0.117 0.000 1.304 243 Y CB 2.142 40.667 38.460 0.108 0.000 1.098 243 Y HN 0.489 nan 8.280 nan 0.000 0.498 244 P HA 0.233 nan 4.420 nan 0.000 0.274 244 P C -0.868 176.438 177.300 0.010 0.000 1.291 244 P CA 0.389 63.584 63.100 0.158 0.000 0.815 244 P CB 1.331 33.187 31.700 0.261 0.000 0.897 245 V N 3.728 123.550 119.914 -0.152 0.000 3.178 245 V HA 0.427 4.547 4.120 -0.000 0.000 0.302 245 V C -1.642 174.435 176.094 -0.028 0.000 1.262 245 V CA -0.855 61.332 62.300 -0.188 0.000 1.030 245 V CB 2.432 33.853 31.823 -0.669 0.000 1.074 245 V HN 0.472 nan 8.190 nan 0.000 0.438 246 H N 5.122 124.138 119.070 -0.089 0.000 2.641 246 H HA 0.657 5.213 4.556 -0.000 0.000 0.295 246 H C -1.117 174.189 175.328 -0.037 0.000 1.070 246 H CA -0.349 55.668 56.048 -0.051 0.000 1.257 246 H CB 0.585 30.327 29.762 -0.034 0.000 1.393 246 H HN 0.591 nan 8.280 nan 0.000 0.464 247 L N 4.405 125.562 121.223 -0.109 0.000 2.331 247 L HA 0.408 4.748 4.340 -0.000 0.000 0.275 247 L C 0.405 177.120 176.870 -0.258 0.000 1.022 247 L CA -0.982 53.747 54.840 -0.185 0.000 0.812 247 L CB 1.409 43.463 42.059 -0.009 0.000 1.257 247 L HN 0.607 nan 8.230 nan 0.000 0.435 248 N N 1.738 120.308 118.700 -0.216 0.000 2.489 248 N HA 0.307 5.047 4.740 -0.000 0.000 0.284 248 N C -1.839 173.650 175.510 -0.034 0.000 1.158 248 N CA -1.556 51.422 53.050 -0.119 0.000 0.965 248 N CB 1.773 40.194 38.487 -0.111 0.000 1.195 248 N HN 0.222 nan 8.380 nan 0.000 0.506 249 P HA -0.232 nan 4.420 nan 0.000 0.221 249 P C 0.789 178.081 177.300 -0.014 0.000 1.160 249 P CA 2.012 65.111 63.100 -0.002 0.000 0.933 249 P CB 0.038 31.742 31.700 0.007 0.000 0.793 250 N N -0.947 117.748 118.700 -0.008 0.000 2.520 250 N HA -0.085 4.654 4.740 -0.000 0.000 0.185 250 N C 1.448 176.948 175.510 -0.017 0.000 1.068 250 N CA 0.873 53.918 53.050 -0.008 0.000 0.911 250 N CB -1.247 37.249 38.487 0.015 0.000 0.961 250 N HN 0.197 nan 8.380 nan 0.000 0.446 251 V N -0.503 119.408 119.914 -0.004 0.000 3.635 251 V HA 0.208 4.328 4.120 -0.000 0.000 0.266 251 V C 1.991 178.072 176.094 -0.022 0.000 1.316 251 V CA 0.083 62.399 62.300 0.027 0.000 1.060 251 V CB -0.110 31.808 31.823 0.158 0.000 0.820 251 V HN 0.071 nan 8.190 nan 0.000 0.447 252 R N 0.237 120.720 120.500 -0.028 0.000 2.073 252 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 252 R C 2.167 178.419 176.300 -0.080 0.000 1.134 252 R CA 1.942 58.024 56.100 -0.030 0.000 0.952 252 R CB -0.341 29.948 30.300 -0.017 0.000 0.850 252 R HN 0.528 nan 8.270 nan 0.000 0.433 253 E N 0.799 120.937 120.200 -0.102 0.000 2.023 253 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 253 E C -0.842 175.643 176.600 -0.192 0.000 1.003 253 E CA 1.693 58.021 56.400 -0.119 0.000 0.809 253 E CB -0.957 28.686 29.700 -0.096 0.000 0.755 253 E HN 0.173 nan 8.360 nan 0.000 0.449 254 P HA -0.124 nan 4.420 nan 0.000 0.218 254 P C 1.543 178.558 177.300 -0.475 0.000 1.149 254 P CA 1.025 63.804 63.100 -0.534 0.000 0.817 254 P CB 0.005 31.018 31.700 -1.144 0.000 0.785 255 V N 2.037 121.718 119.914 -0.387 0.000 2.220 255 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 255 V C 2.258 178.278 176.094 -0.123 0.000 1.049 255 V CA 2.743 64.934 62.300 -0.180 0.000 1.003 255 V CB -1.967 29.827 31.823 -0.048 0.000 0.634 255 V HN 0.284 nan 8.190 nan 0.000 0.444 256 N N -0.006 118.639 118.700 -0.092 0.000 2.571 256 N HA -0.095 4.645 4.740 -0.000 0.000 0.189 256 N C 1.579 177.069 175.510 -0.034 0.000 1.154 256 N CA 0.517 53.532 53.050 -0.058 0.000 0.907 256 N CB -0.306 38.157 38.487 -0.041 0.000 0.977 256 N HN 0.408 nan 8.380 nan 0.000 0.449 257 R N -0.035 120.433 120.500 -0.053 0.000 2.092 257 R HA 0.021 4.361 4.340 -0.000 0.000 0.231 257 R C 1.274 177.601 176.300 0.045 0.000 1.119 257 R CA 1.271 57.364 56.100 -0.012 0.000 0.970 257 R CB -0.323 29.954 30.300 -0.038 0.000 0.864 257 R HN 0.320 nan 8.270 nan 0.000 0.440 258 I N 0.371 120.929 120.570 -0.021 0.000 2.235 258 I HA -0.184 3.986 4.170 -0.000 0.000 0.241 258 I C 2.104 178.197 176.117 -0.041 0.000 1.085 258 I CA 1.262 62.532 61.300 -0.050 0.000 1.378 258 I CB -0.116 37.708 38.000 -0.294 0.000 1.076 258 I HN 0.026 nan 8.210 nan 0.000 0.415 259 L N -0.359 120.807 121.223 -0.095 0.000 2.202 259 L HA 0.164 4.503 4.340 -0.000 0.000 0.205 259 L C 2.668 179.455 176.870 -0.138 0.000 1.083 259 L CA 0.863 55.618 54.840 -0.142 0.000 0.790 259 L CB -1.471 40.533 42.059 -0.092 0.000 0.942 259 L HN 0.326 nan 8.230 nan 0.000 0.452 260 G N 1.549 110.320 108.800 -0.049 0.000 2.679 260 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.222 260 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.222 260 G C 1.266 176.161 174.900 -0.008 0.000 1.164 260 G CA 1.904 46.995 45.100 -0.015 0.000 0.769 260 G HN 0.741 nan 8.290 nan 0.000 0.610 261 H N -0.833 118.225 119.070 -0.021 0.000 2.559 261 H HA 0.384 4.940 4.556 -0.000 0.000 0.273 261 H C 0.309 175.633 175.328 -0.007 0.000 1.000 261 H CA 0.379 56.420 56.048 -0.011 0.000 1.195 261 H CB -0.132 29.626 29.762 -0.008 0.000 1.368 261 H HN 0.178 nan 8.280 nan 0.000 0.592 262 V N 2.424 122.022 119.914 -0.527 0.000 2.348 262 V HA 0.095 4.215 4.120 -0.000 0.000 0.270 262 V C 0.555 176.558 176.094 -0.152 0.000 1.037 262 V CA -0.741 61.342 62.300 -0.362 0.000 0.872 262 V CB 1.354 32.951 31.823 -0.378 0.000 1.002 262 V HN 0.305 nan 8.190 nan 0.000 0.464 263 K N 3.307 123.660 120.400 -0.078 0.000 2.288 263 K HA -0.037 4.283 4.320 -0.000 0.000 0.201 263 K C 1.351 177.940 176.600 -0.019 0.000 1.048 263 K CA 0.755 57.021 56.287 -0.036 0.000 0.956 263 K CB -0.157 32.340 32.500 -0.004 0.000 0.746 263 K HN 0.742 nan 8.250 nan 0.000 0.461 264 N N 0.446 119.138 118.700 -0.013 0.000 2.494 264 N HA -0.040 4.700 4.740 -0.000 0.000 0.182 264 N C 0.127 175.644 175.510 0.012 0.000 1.076 264 N CA 0.169 53.230 53.050 0.017 0.000 0.908 264 N CB -0.083 38.422 38.487 0.030 0.000 0.967 264 N HN -0.142 nan 8.380 nan 0.000 0.449 265 V N 1.634 121.534 119.914 -0.023 0.000 2.350 265 V HA 0.365 4.485 4.120 -0.000 0.000 0.276 265 V C -0.326 175.735 176.094 -0.056 0.000 1.028 265 V CA -0.761 61.530 62.300 -0.016 0.000 0.860 265 V CB 0.774 32.584 31.823 -0.021 0.000 0.990 265 V HN -0.038 nan 8.190 nan 0.000 0.453 266 I N 6.182 126.707 120.570 -0.075 0.000 2.418 266 I HA 0.457 4.626 4.170 -0.000 0.000 0.287 266 I C -0.538 175.503 176.117 -0.127 0.000 1.008 266 I CA -0.334 60.839 61.300 -0.213 0.000 1.104 266 I CB 1.691 39.348 38.000 -0.572 0.000 1.264 266 I HN 0.345 nan 8.210 nan 0.000 0.438 267 L N 7.455 128.613 121.223 -0.108 0.000 2.272 267 L HA 0.616 4.956 4.340 -0.000 0.000 0.289 267 L C -0.016 176.812 176.870 -0.069 0.000 1.032 267 L CA -0.092 54.712 54.840 -0.059 0.000 0.810 267 L CB 0.845 42.865 42.059 -0.064 0.000 1.205 267 L HN 0.510 nan 8.230 nan 0.000 0.422 268 I N -1.962 118.604 120.570 -0.007 0.000 3.170 268 I HA 0.678 4.848 4.170 -0.000 0.000 0.312 268 I C -0.662 175.492 176.117 0.062 0.000 1.085 268 I CA -1.080 60.258 61.300 0.062 0.000 0.999 268 I CB 1.655 39.779 38.000 0.208 0.000 1.233 268 I HN 0.258 nan 8.210 nan 0.000 0.467 269 D N 1.495 121.945 120.400 0.083 0.000 2.383 269 D HA 0.354 4.993 4.640 -0.000 0.000 0.248 269 D C -2.467 173.877 176.300 0.074 0.000 1.170 269 D CA -1.287 52.745 54.000 0.054 0.000 0.977 269 D CB 0.263 41.081 40.800 0.030 0.000 1.120 269 D HN 0.334 nan 8.370 nan 0.000 0.481 270 P HA -0.010 nan 4.420 nan 0.000 0.264 270 P C -0.149 177.173 177.300 0.037 0.000 1.183 270 P CA 0.196 63.305 63.100 0.016 0.000 0.763 270 P CB 0.496 32.181 31.700 -0.025 0.000 0.807 271 Q N 1.899 121.732 119.800 0.056 0.000 2.180 271 Q HA 0.300 4.640 4.340 -0.000 0.000 0.241 271 Q C 0.266 176.311 176.000 0.075 0.000 0.970 271 Q CA -0.555 55.324 55.803 0.125 0.000 0.919 271 Q CB 1.050 29.976 28.738 0.313 0.000 1.222 271 Q HN 0.472 nan 8.270 nan 0.000 0.482 272 E N 0.145 120.420 120.200 0.124 0.000 2.345 272 E HA -0.008 4.342 4.350 -0.000 0.000 0.259 272 E C 0.345 177.083 176.600 0.230 0.000 1.117 272 E CA -0.178 56.302 56.400 0.134 0.000 0.913 272 E CB 0.507 30.273 29.700 0.110 0.000 1.057 272 E HN 0.488 nan 8.360 nan 0.000 0.432 273 Y N 1.796 122.167 120.300 0.118 0.000 2.128 273 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 273 Y C 1.923 177.971 175.900 0.246 0.000 1.154 273 Y CA 1.719 59.931 58.100 0.186 0.000 1.149 273 Y CB -0.206 38.340 38.460 0.143 0.000 0.976 273 Y HN 0.550 nan 8.280 nan 0.000 0.505 274 L N 1.203 122.481 121.223 0.092 0.000 1.994 274 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 274 L C -0.678 176.238 176.870 0.077 0.000 1.071 274 L CA 2.094 56.934 54.840 -0.000 0.000 0.745 274 L CB -1.787 40.309 42.059 0.061 0.000 0.892 274 L HN 0.128 nan 8.230 nan 0.000 0.431 275 P HA -0.221 nan 4.420 nan 0.000 0.218 275 P C 1.794 179.339 177.300 0.408 0.000 1.149 275 P CA 1.473 64.720 63.100 0.245 0.000 0.817 275 P CB -0.333 31.477 31.700 0.183 0.000 0.785 276 F N 0.759 120.815 119.950 0.177 0.000 2.259 276 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 276 F C 1.950 177.798 175.800 0.081 0.000 1.088 276 F CA 0.971 59.062 58.000 0.151 0.000 1.358 276 F CB -0.594 38.483 39.000 0.129 0.000 1.040 276 F HN -0.323 nan 8.300 nan 0.000 0.505 277 V N -0.910 118.992 119.914 -0.020 0.000 2.453 277 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 277 V C 2.051 178.105 176.094 -0.066 0.000 1.048 277 V CA 1.801 64.012 62.300 -0.148 0.000 1.049 277 V CB -1.200 30.496 31.823 -0.212 0.000 0.672 277 V HN 0.631 nan 8.190 nan 0.000 0.457 278 W N 0.666 121.910 121.300 -0.092 0.000 2.335 278 W HA -0.085 4.575 4.660 -0.000 0.000 0.311 278 W C 1.220 177.707 176.519 -0.053 0.000 1.213 278 W CA 1.124 58.446 57.345 -0.038 0.000 1.274 278 W CB -0.104 29.371 29.460 0.024 0.000 1.148 278 W HN 0.098 nan 8.180 nan 0.000 0.498 282 H N 0.559 119.303 119.070 -0.543 0.000 2.512 282 H HA 0.566 5.121 4.556 -0.000 0.000 0.279 282 H C 0.627 175.807 175.328 -0.247 0.000 0.999 282 H CA 1.128 56.851 56.048 -0.543 0.000 1.283 282 H CB -0.044 29.153 29.762 -0.941 0.000 1.421 282 H HN 0.335 nan 8.280 nan 0.000 0.554 283 A N -0.336 122.394 122.820 -0.149 0.000 2.507 283 A HA 0.003 4.322 4.320 -0.000 0.000 0.235 283 A C 0.839 178.429 177.584 0.011 0.000 1.070 283 A CA 0.362 52.370 52.037 -0.047 0.000 0.768 283 A CB -0.158 18.817 19.000 -0.041 0.000 1.011 283 A HN 0.816 nan 8.150 nan 0.000 0.502 284 W N 1.877 123.129 121.300 -0.081 0.000 2.683 284 W HA 0.491 5.151 4.660 -0.000 0.000 0.267 284 W C -0.359 176.231 176.519 0.117 0.000 1.243 284 W CA 0.328 57.665 57.345 -0.013 0.000 1.380 284 W CB 0.185 29.595 29.460 -0.084 0.000 1.063 284 W HN 0.517 nan 8.180 nan 0.000 0.599 285 L N 1.270 122.457 121.223 -0.060 0.000 2.506 285 L HA 0.440 4.779 4.340 -0.000 0.000 0.257 285 L C -1.413 175.400 176.870 -0.095 0.000 0.964 285 L CA -0.953 53.737 54.840 -0.249 0.000 0.836 285 L CB 1.510 43.292 42.059 -0.461 0.000 1.384 285 L HN -0.243 nan 8.230 nan 0.000 0.410 286 I N 4.644 125.143 120.570 -0.118 0.000 2.354 286 I HA 0.434 4.604 4.170 -0.000 0.000 0.292 286 I C -0.883 175.202 176.117 -0.053 0.000 0.989 286 I CA -0.567 60.697 61.300 -0.060 0.000 1.188 286 I CB 1.438 39.406 38.000 -0.052 0.000 1.342 286 I HN 0.441 nan 8.210 nan 0.000 0.457 287 L N 5.814 127.020 121.223 -0.029 0.000 2.325 287 L HA 0.683 5.023 4.340 -0.000 0.000 0.281 287 L C -0.078 176.773 176.870 -0.031 0.000 1.004 287 L CA 0.277 55.098 54.840 -0.031 0.000 0.823 287 L CB 1.736 43.777 42.059 -0.030 0.000 1.236 287 L HN 0.781 nan 8.230 nan 0.000 0.415 288 T N 0.794 115.341 114.554 -0.012 0.000 2.792 288 T HA 0.425 4.775 4.350 -0.000 0.000 0.303 288 T C -0.600 174.120 174.700 0.033 0.000 1.310 288 T CA 0.083 62.188 62.100 0.009 0.000 1.007 288 T CB 1.402 70.294 68.868 0.039 0.000 1.335 288 T HN 0.702 nan 8.240 nan 0.000 0.504 289 D N -0.126 120.316 120.400 0.069 0.000 2.500 289 D HA 0.273 4.913 4.640 -0.000 0.000 0.217 289 D C 0.525 176.912 176.300 0.145 0.000 1.159 289 D CA -0.179 53.875 54.000 0.090 0.000 0.828 289 D CB 0.445 41.302 40.800 0.095 0.000 1.039 289 D HN 0.483 nan 8.370 nan 0.000 0.512 290 S N -1.519 114.281 115.700 0.167 0.000 2.767 290 S HA 0.669 5.139 4.470 -0.000 0.000 0.300 290 S C 1.111 175.788 174.600 0.129 0.000 1.123 290 S CA -0.453 57.886 58.200 0.232 0.000 0.992 290 S CB 1.501 64.769 63.200 0.113 0.000 1.138 290 S HN 0.115 nan 8.310 nan 0.000 0.550 291 G N -0.943 107.928 108.800 0.118 0.000 2.848 291 G HA2 0.373 4.333 3.960 -0.000 0.000 0.213 291 G HA3 0.373 4.333 3.960 -0.000 0.000 0.213 291 G C 1.100 176.000 174.900 -0.000 0.000 1.101 291 G CA 0.249 45.378 45.100 0.049 0.000 0.778 291 G HN 0.889 nan 8.290 nan 0.000 0.536 292 G N 1.795 110.595 108.800 0.000 0.000 2.514 292 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 292 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 292 G C 1.676 176.583 174.900 0.011 0.000 1.198 292 G CA 1.197 46.289 45.100 -0.014 0.000 0.780 292 G HN 0.313 nan 8.290 nan 0.000 0.565 293 I N 1.144 121.748 120.570 0.055 0.000 2.423 293 I HA -0.159 4.011 4.170 -0.000 0.000 0.254 293 I C 2.753 178.896 176.117 0.043 0.000 1.151 293 I CA 1.107 62.457 61.300 0.083 0.000 1.421 293 I CB -0.325 37.747 38.000 0.120 0.000 1.079 293 I HN 0.318 nan 8.210 nan 0.000 0.431 294 Q N -0.248 119.564 119.800 0.020 0.000 2.291 294 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 294 Q C 1.548 177.570 176.000 0.036 0.000 0.976 294 Q CA 1.348 57.169 55.803 0.029 0.000 0.875 294 Q CB -0.108 28.649 28.738 0.031 0.000 0.927 294 Q HN 0.643 nan 8.270 nan 0.000 0.450 295 E N -0.272 119.892 120.200 -0.061 0.000 2.472 295 E HA -0.013 4.337 4.350 -0.000 0.000 0.196 295 E C 0.964 177.594 176.600 0.049 0.000 1.033 295 E CA 0.168 56.509 56.400 -0.099 0.000 0.886 295 E CB 0.472 29.951 29.700 -0.370 0.000 0.944 295 E HN 0.367 nan 8.360 nan 0.000 0.492 296 E N 0.666 120.900 120.200 0.058 0.000 2.290 296 E HA 0.133 4.483 4.350 -0.000 0.000 0.195 296 E C 2.091 178.726 176.600 0.059 0.000 0.938 296 E CA 0.473 56.920 56.400 0.079 0.000 1.018 296 E CB -0.087 29.677 29.700 0.107 0.000 1.042 296 E HN 0.088 nan 8.360 nan 0.000 0.483 297 A N 2.532 125.372 122.820 0.034 0.000 1.940 297 A HA -0.172 4.147 4.320 -0.000 0.000 0.221 297 A C -0.434 177.139 177.584 -0.018 0.000 1.190 297 A CA 1.878 53.910 52.037 -0.010 0.000 0.647 297 A CB -1.732 17.250 19.000 -0.030 0.000 0.821 297 A HN 0.137 nan 8.150 nan 0.000 0.457 298 P HA -0.094 nan 4.420 nan 0.000 0.217 298 P C 1.470 178.777 177.300 0.012 0.000 1.148 298 P CA 1.669 64.766 63.100 -0.006 0.000 0.828 298 P CB -0.156 31.562 31.700 0.031 0.000 0.783 299 S N -1.055 114.667 115.700 0.038 0.000 2.474 299 S HA 0.017 4.487 4.470 -0.000 0.000 0.235 299 S C 1.464 176.077 174.600 0.021 0.000 0.997 299 S CA 0.761 58.989 58.200 0.045 0.000 0.949 299 S CB -0.682 62.556 63.200 0.064 0.000 0.766 299 S HN 0.183 nan 8.310 nan 0.000 0.517 300 L N 0.274 121.494 121.223 -0.006 0.000 2.607 300 L HA 0.267 4.607 4.340 -0.000 0.000 0.228 300 L C 1.478 178.321 176.870 -0.046 0.000 1.123 300 L CA 0.266 55.088 54.840 -0.029 0.000 0.890 300 L CB -0.355 41.672 42.059 -0.053 0.000 1.103 300 L HN 0.436 nan 8.230 nan 0.000 0.468 301 G N 0.837 109.606 108.800 -0.051 0.000 2.137 301 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.237 301 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.237 301 G C -0.018 174.794 174.900 -0.147 0.000 1.002 301 G CA -0.185 44.865 45.100 -0.084 0.000 0.702 301 G HN 0.208 nan 8.290 nan 0.000 0.515 302 K N 0.953 121.264 120.400 -0.148 0.000 2.281 302 K HA 0.441 4.761 4.320 -0.000 0.000 0.272 302 K C -2.553 173.897 176.600 -0.251 0.000 1.048 302 K CA -2.135 54.031 56.287 -0.201 0.000 0.898 302 K CB 1.884 34.301 32.500 -0.138 0.000 1.128 302 K HN 0.101 nan 8.250 nan 0.000 0.460 303 P HA 0.037 nan 4.420 nan 0.000 0.267 303 P C -0.435 176.719 177.300 -0.243 0.000 1.200 303 P CA -0.276 62.605 63.100 -0.366 0.000 0.772 303 P CB 0.553 31.918 31.700 -0.558 0.000 0.855 304 V N 4.270 124.089 119.914 -0.159 0.000 2.487 304 V HA 0.313 4.433 4.120 -0.000 0.000 0.298 304 V C 0.073 176.120 176.094 -0.079 0.000 1.028 304 V CA -0.587 61.653 62.300 -0.100 0.000 0.860 304 V CB 1.586 33.380 31.823 -0.048 0.000 0.991 304 V HN 0.357 nan 8.190 nan 0.000 0.427 305 L N 5.605 126.787 121.223 -0.068 0.000 2.265 305 L HA 0.584 4.924 4.340 -0.000 0.000 0.289 305 L C -0.161 176.699 176.870 -0.017 0.000 1.033 305 L CA -0.398 54.416 54.840 -0.043 0.000 0.814 305 L CB 1.587 43.619 42.059 -0.045 0.000 1.203 305 L HN 0.409 nan 8.230 nan 0.000 0.423 309 D N -0.076 120.332 120.400 0.013 0.000 2.454 309 D HA 0.076 4.716 4.640 -0.000 0.000 0.214 309 D C 0.162 176.469 176.300 0.012 0.000 1.088 309 D CA 1.111 55.118 54.000 0.012 0.000 0.855 309 D CB 1.013 41.819 40.800 0.010 0.000 1.025 309 D HN 0.574 nan 8.370 nan 0.000 0.502 310 T N -3.004 111.558 114.554 0.014 0.000 0.000 310 T HA 0.638 4.988 4.350 -0.000 0.000 0.000 310 T C -0.404 174.309 174.700 0.021 0.000 0.000 310 T CA -0.642 61.468 62.100 0.016 0.000 0.000 310 T CB 2.870 71.747 68.868 0.014 0.000 0.000 310 T HN -0.149 nan 8.240 nan 0.000 0.000 311 T N -1.535 113.034 114.554 0.025 0.000 2.830 311 T HA 0.564 4.914 4.350 -0.000 0.000 0.322 311 T C -0.385 174.338 174.700 0.039 0.000 1.501 311 T CA 0.360 62.480 62.100 0.033 0.000 1.036 311 T CB 1.195 70.087 68.868 0.041 0.000 1.379 311 T HN 1.097 nan 8.240 nan 0.000 0.493 312 E N 1.470 121.696 120.200 0.043 0.000 2.394 312 E HA 0.348 4.698 4.350 -0.000 0.000 0.191 312 E C 0.606 177.246 176.600 0.067 0.000 1.044 312 E CA -0.131 56.297 56.400 0.047 0.000 0.939 312 E CB 0.040 29.764 29.700 0.040 0.000 1.089 312 E HN 0.492 nan 8.360 nan 0.000 0.456 313 R N 0.449 121.000 120.500 0.086 0.000 2.681 313 R HA 0.196 4.536 4.340 -0.000 0.000 0.277 313 R C -1.959 174.429 176.300 0.146 0.000 1.563 313 R CA -1.271 54.923 56.100 0.156 0.000 1.673 313 R CB 1.420 31.810 30.300 0.149 0.000 1.258 313 R HN 0.131 nan 8.270 nan 0.000 0.650 314 P HA -0.134 nan 4.420 nan 0.000 0.220 314 P C 0.274 177.596 177.300 0.036 0.000 1.148 314 P CA 1.135 64.269 63.100 0.056 0.000 0.803 314 P CB 0.518 32.240 31.700 0.037 0.000 0.782 315 E N 0.397 120.617 120.200 0.033 0.000 2.153 315 E HA -0.102 4.247 4.350 -0.000 0.000 0.194 315 E C 2.238 178.781 176.600 -0.095 0.000 0.988 315 E CA 1.438 57.783 56.400 -0.091 0.000 0.811 315 E CB -0.857 28.684 29.700 -0.265 0.000 0.746 315 E HN 0.230 nan 8.360 nan 0.000 0.466 316 A N 0.513 123.350 122.820 0.029 0.000 1.898 316 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 316 A C 2.435 180.032 177.584 0.023 0.000 1.181 316 A CA 1.102 53.180 52.037 0.068 0.000 0.620 316 A CB -0.546 18.579 19.000 0.209 0.000 0.819 316 A HN 0.149 nan 8.150 nan 0.000 0.442 317 V N -0.238 119.691 119.914 0.026 0.000 2.358 317 V HA -0.198 3.921 4.120 -0.000 0.000 0.246 317 V C 2.701 178.789 176.094 -0.010 0.000 1.047 317 V CA 2.401 64.705 62.300 0.007 0.000 1.035 317 V CB -1.244 30.587 31.823 0.013 0.000 0.658 317 V HN 0.584 nan 8.190 nan 0.000 0.452 318 T N 0.547 115.091 114.554 -0.016 0.000 2.821 318 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 318 T C 1.973 176.652 174.700 -0.035 0.000 1.046 318 T CA 1.538 63.623 62.100 -0.026 0.000 1.139 318 T CB -0.354 68.496 68.868 -0.031 0.000 0.871 318 T HN 0.555 nan 8.240 nan 0.000 0.454 319 A N 0.363 123.156 122.820 -0.045 0.000 2.119 319 A HA 0.431 4.751 4.320 -0.000 0.000 0.217 319 A C 2.059 179.616 177.584 -0.045 0.000 1.153 319 A CA 1.220 53.229 52.037 -0.047 0.000 0.692 319 A CB -0.801 18.163 19.000 -0.061 0.000 0.799 319 A HN 0.800 nan 8.150 nan 0.000 0.458 320 G N -1.611 107.165 108.800 -0.041 0.000 2.141 320 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.242 320 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.242 320 G C 0.894 175.756 174.900 -0.064 0.000 0.982 320 G CA 1.326 46.396 45.100 -0.051 0.000 0.662 320 G HN 1.276 nan 8.290 nan 0.000 0.527 321 T N -2.865 111.660 114.554 -0.048 0.000 3.081 321 T HA 0.546 4.896 4.350 -0.000 0.000 0.255 321 T C 0.681 175.349 174.700 -0.052 0.000 1.113 321 T CA 0.768 62.834 62.100 -0.056 0.000 1.082 321 T CB 0.941 69.798 68.868 -0.018 0.000 0.939 321 T HN 0.800 nan 8.240 nan 0.000 0.506 322 V N 0.771 120.667 119.914 -0.031 0.000 2.789 322 V HA 0.604 4.724 4.120 -0.000 0.000 0.311 322 V C -0.747 175.332 176.094 -0.025 0.000 1.073 322 V CA -1.248 61.038 62.300 -0.022 0.000 0.921 322 V CB 2.420 34.255 31.823 0.020 0.000 1.009 322 V HN 0.278 nan 8.190 nan 0.000 0.426 323 R N 3.428 123.910 120.500 -0.030 0.000 2.513 323 R HA 0.605 4.945 4.340 -0.000 0.000 0.301 323 R C -1.353 174.941 176.300 -0.009 0.000 0.968 323 R CA -0.728 55.358 56.100 -0.022 0.000 0.872 323 R CB 1.469 31.749 30.300 -0.034 0.000 1.177 323 R HN 0.670 nan 8.270 nan 0.000 0.444 324 L N 6.135 127.358 121.223 -0.001 0.000 2.385 324 L HA 0.199 4.538 4.340 -0.000 0.000 0.281 324 L C 0.785 177.659 176.870 0.006 0.000 1.106 324 L CA -0.472 54.372 54.840 0.006 0.000 0.856 324 L CB 0.635 42.700 42.059 0.010 0.000 1.186 324 L HN 0.448 nan 8.230 nan 0.000 0.453 325 V N 1.334 121.252 119.914 0.007 0.000 3.613 325 V HA 0.760 4.880 4.120 -0.000 0.000 0.283 325 V C 0.881 176.983 176.094 0.014 0.000 1.052 325 V CA -0.294 62.012 62.300 0.010 0.000 0.937 325 V CB 0.594 32.424 31.823 0.011 0.000 1.241 325 V HN 0.638 nan 8.190 nan 0.000 0.429 326 G N -0.961 107.850 108.800 0.018 0.000 2.489 326 G HA2 0.407 4.367 3.960 -0.000 0.000 0.271 326 G HA3 0.407 4.367 3.960 -0.000 0.000 0.271 326 G C 0.463 175.375 174.900 0.020 0.000 1.427 326 G CA 0.441 45.552 45.100 0.018 0.000 1.057 326 G HN 0.909 nan 8.290 nan 0.000 0.532 327 T N -0.712 113.854 114.554 0.020 0.000 2.959 327 T HA 0.198 4.548 4.350 -0.000 0.000 0.254 327 T C 0.036 174.750 174.700 0.024 0.000 1.003 327 T CA -0.117 61.996 62.100 0.023 0.000 0.950 327 T CB -0.098 68.781 68.868 0.018 0.000 1.090 327 T HN 0.376 nan 8.240 nan 0.000 0.503 328 D N 2.052 122.465 120.400 0.021 0.000 2.264 328 D HA 0.148 4.787 4.640 -0.000 0.000 0.249 328 D C 1.233 177.550 176.300 0.029 0.000 1.070 328 D CA -0.297 53.715 54.000 0.021 0.000 0.912 328 D CB 1.492 42.300 40.800 0.014 0.000 1.193 328 D HN 0.220 nan 8.370 nan 0.000 0.427 329 K N 1.759 122.179 120.400 0.033 0.000 2.057 329 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 329 K C 1.239 177.864 176.600 0.042 0.000 1.050 329 K CA 1.064 57.379 56.287 0.046 0.000 0.935 329 K CB -0.136 32.403 32.500 0.066 0.000 0.715 329 K HN 0.258 nan 8.250 nan 0.000 0.439 330 Q N 1.283 121.101 119.800 0.031 0.000 2.029 330 Q HA -0.178 4.162 4.340 -0.000 0.000 0.209 330 Q C 2.394 178.416 176.000 0.036 0.000 0.999 330 Q CA 1.987 57.809 55.803 0.032 0.000 0.857 330 Q CB -0.459 28.292 28.738 0.022 0.000 0.926 330 Q HN 0.510 nan 8.270 nan 0.000 0.415 331 R N 0.250 120.768 120.500 0.030 0.000 2.083 331 R HA -0.116 4.223 4.340 -0.000 0.000 0.237 331 R C 2.442 178.764 176.300 0.036 0.000 1.137 331 R CA 1.273 57.391 56.100 0.030 0.000 0.951 331 R CB -0.320 29.993 30.300 0.023 0.000 0.851 331 R HN 0.241 nan 8.270 nan 0.000 0.434 332 I N 0.216 120.809 120.570 0.038 0.000 2.163 332 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 332 I C 2.282 178.434 176.117 0.057 0.000 1.085 332 I CA 1.298 62.622 61.300 0.041 0.000 1.347 332 I CB -0.274 37.750 38.000 0.040 0.000 1.044 332 I HN 0.089 nan 8.210 nan 0.000 0.408 333 V N 0.748 120.703 119.914 0.069 0.000 2.358 333 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 333 V C 2.353 178.510 176.094 0.105 0.000 1.047 333 V CA 1.867 64.225 62.300 0.097 0.000 1.035 333 V CB -0.643 31.236 31.823 0.093 0.000 0.658 333 V HN 0.445 nan 8.190 nan 0.000 0.452 334 E N -0.438 119.809 120.200 0.078 0.000 2.077 334 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 334 E C 2.289 178.932 176.600 0.071 0.000 0.989 334 E CA 1.161 57.605 56.400 0.074 0.000 0.800 334 E CB -0.140 29.592 29.700 0.053 0.000 0.746 334 E HN 0.566 nan 8.360 nan 0.000 0.452 335 E N 0.561 120.795 120.200 0.057 0.000 2.077 335 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 335 E C 2.370 179.005 176.600 0.059 0.000 0.989 335 E CA 0.763 57.191 56.400 0.046 0.000 0.800 335 E CB -0.164 29.552 29.700 0.026 0.000 0.746 335 E HN 0.129 nan 8.360 nan 0.000 0.452 336 V N 1.362 121.320 119.914 0.073 0.000 2.295 336 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 336 V C 2.418 178.572 176.094 0.099 0.000 1.049 336 V CA 2.201 64.559 62.300 0.097 0.000 1.024 336 V CB -1.016 30.870 31.823 0.105 0.000 0.648 336 V HN 0.275 nan 8.190 nan 0.000 0.447 337 T N -0.165 114.443 114.554 0.090 0.000 2.720 337 T HA -0.265 4.084 4.350 -0.000 0.000 0.268 337 T C 2.017 176.773 174.700 0.094 0.000 1.037 337 T CA 1.903 64.059 62.100 0.094 0.000 1.144 337 T CB -0.328 68.656 68.868 0.193 0.000 0.864 337 T HN 0.430 nan 8.240 nan 0.000 0.444 338 R N 0.778 121.332 120.500 0.091 0.000 2.083 338 R HA -0.051 4.288 4.340 -0.000 0.000 0.237 338 R C 2.324 178.687 176.300 0.104 0.000 1.137 338 R CA 1.359 57.508 56.100 0.081 0.000 0.951 338 R CB -0.454 29.883 30.300 0.061 0.000 0.851 338 R HN 0.384 nan 8.270 nan 0.000 0.434 339 L N 0.542 121.846 121.223 0.134 0.000 2.156 339 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 339 L C 2.472 179.534 176.870 0.320 0.000 1.095 339 L CA 0.621 55.585 54.840 0.206 0.000 0.770 339 L CB -0.264 41.886 42.059 0.152 0.000 0.914 339 L HN 0.277 nan 8.230 nan 0.000 0.439 340 L N -0.034 121.364 121.223 0.291 0.000 2.141 340 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 340 L C 2.682 179.581 176.870 0.048 0.000 1.094 340 L CA 1.344 56.268 54.840 0.140 0.000 0.763 340 L CB -0.157 41.843 42.059 -0.098 0.000 0.908 340 L HN 0.256 nan 8.230 nan 0.000 0.437 341 K N -0.597 119.844 120.400 0.068 0.000 2.044 341 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 341 K C 0.552 177.183 176.600 0.052 0.000 1.045 341 K CA 0.646 56.961 56.287 0.047 0.000 0.951 341 K CB 0.222 32.753 32.500 0.052 0.000 0.738 341 K HN -0.022 nan 8.250 nan 0.000 0.443 342 D N 1.292 121.736 120.400 0.074 0.000 2.411 342 D HA -0.005 4.635 4.640 -0.000 0.000 0.225 342 D C 0.320 176.682 176.300 0.104 0.000 1.156 342 D CA 0.069 54.113 54.000 0.072 0.000 0.874 342 D CB 1.486 42.324 40.800 0.064 0.000 1.034 342 D HN 0.141 nan 8.370 nan 0.000 0.502 343 E N 3.065 123.316 120.200 0.085 0.000 2.268 343 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 343 E C 0.946 177.625 176.600 0.132 0.000 0.995 343 E CA 1.068 57.533 56.400 0.108 0.000 0.836 343 E CB 0.134 29.865 29.700 0.052 0.000 0.763 343 E HN 0.373 nan 8.360 nan 0.000 0.491 344 N N 0.233 118.985 118.700 0.087 0.000 2.300 344 N HA -0.122 4.618 4.740 -0.000 0.000 0.179 344 N C 1.567 177.112 175.510 0.059 0.000 1.016 344 N CA 1.027 54.115 53.050 0.064 0.000 0.876 344 N CB -0.122 38.387 38.487 0.037 0.000 0.979 344 N HN 0.401 nan 8.380 nan 0.000 0.432 345 E N -0.052 120.191 120.200 0.071 0.000 2.107 345 E HA -0.171 4.178 4.350 -0.000 0.000 0.191 345 E C 1.781 178.410 176.600 0.047 0.000 0.982 345 E CA 0.547 56.974 56.400 0.045 0.000 0.809 345 E CB -0.093 29.633 29.700 0.043 0.000 0.756 345 E HN 0.335 nan 8.360 nan 0.000 0.459 346 Y N 1.042 121.330 120.300 -0.020 0.000 2.200 346 Y HA -0.201 4.349 4.550 -0.000 0.000 0.290 346 Y C 2.231 178.094 175.900 -0.061 0.000 1.137 346 Y CA 1.710 59.777 58.100 -0.054 0.000 1.163 346 Y CB 0.066 38.525 38.460 -0.001 0.000 0.988 346 Y HN 0.055 nan 8.280 nan 0.000 0.518 347 Q N 0.767 120.654 119.800 0.145 0.000 2.167 347 Q HA 0.012 4.351 4.340 -0.000 0.000 0.202 347 Q C 1.224 177.186 176.000 -0.063 0.000 0.970 347 Q CA 0.900 56.732 55.803 0.048 0.000 0.855 347 Q CB -0.893 27.898 28.738 0.087 0.000 0.911 347 Q HN 0.493 nan 8.270 nan 0.000 0.438 351 R N 1.614 122.026 120.500 -0.146 0.000 2.297 351 R HA 0.438 4.778 4.340 -0.000 0.000 0.197 351 R C 0.793 176.981 176.300 -0.187 0.000 0.943 351 R CA 0.581 56.600 56.100 -0.135 0.000 1.038 351 R CB 0.168 30.401 30.300 -0.112 0.000 0.957 351 R HN 0.415 nan 8.270 nan 0.000 0.484 352 A N 1.129 123.853 122.820 -0.160 0.000 2.477 352 A HA 0.043 4.363 4.320 -0.000 0.000 0.246 352 A C -0.707 176.821 177.584 -0.092 0.000 1.078 352 A CA -0.023 51.925 52.037 -0.149 0.000 0.770 352 A CB -0.058 18.880 19.000 -0.103 0.000 1.011 352 A HN 0.336 nan 8.150 nan 0.000 0.494 353 H N 1.572 120.615 119.070 -0.046 0.000 2.764 353 H HA 0.062 4.618 4.556 -0.000 0.000 0.341 353 H C 0.491 175.793 175.328 -0.042 0.000 1.072 353 H CA -0.269 55.757 56.048 -0.038 0.000 1.444 353 H CB 0.598 30.340 29.762 -0.034 0.000 1.458 353 H HN 0.741 nan 8.280 nan 0.000 0.572 354 N N 4.836 123.609 118.700 0.122 0.000 2.438 354 N HA -0.027 4.713 4.740 -0.000 0.000 0.267 354 N C -1.654 173.853 175.510 -0.005 0.000 1.222 354 N CA -1.767 51.323 53.050 0.068 0.000 0.930 354 N CB 0.868 39.416 38.487 0.102 0.000 1.083 354 N HN 0.481 nan 8.380 nan 0.000 0.476 355 P HA -0.092 nan 4.420 nan 0.000 0.226 355 P C 0.457 177.555 177.300 -0.337 0.000 1.153 355 P CA 1.034 63.968 63.100 -0.276 0.000 0.777 355 P CB 0.038 31.481 31.700 -0.429 0.000 0.794 356 Y N 0.479 120.790 120.300 0.018 0.000 2.561 356 Y HA 0.318 4.868 4.550 -0.000 0.000 0.291 356 Y C 1.781 177.691 175.900 0.017 0.000 1.141 356 Y CA 0.928 59.040 58.100 0.019 0.000 1.303 356 Y CB -0.328 38.147 38.460 0.026 0.000 1.015 356 Y HN 0.044 nan 8.280 nan 0.000 0.547 357 G N -0.381 108.478 108.800 0.098 0.000 2.339 357 G HA2 0.240 4.200 3.960 -0.000 0.000 0.302 357 G HA3 0.240 4.200 3.960 -0.000 0.000 0.302 357 G C -1.498 173.415 174.900 0.023 0.000 1.425 357 G CA -0.258 44.877 45.100 0.058 0.000 0.899 357 G HN 0.071 nan 8.290 nan 0.000 0.619 358 D N -1.976 118.424 120.400 0.000 0.000 2.563 358 D HA 0.439 5.079 4.640 -0.000 0.000 0.237 358 D C 1.425 177.730 176.300 0.009 0.000 1.282 358 D CA 0.710 54.696 54.000 -0.023 0.000 0.816 358 D CB 0.249 40.993 40.800 -0.092 0.000 1.066 358 D HN 2.117 nan 8.370 nan 0.000 0.501 359 G N 0.631 109.452 108.800 0.036 0.000 2.175 359 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 359 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 359 G C 0.571 175.498 174.900 0.044 0.000 0.982 359 G CA -0.007 45.127 45.100 0.057 0.000 0.641 359 G HN 0.307 nan 8.290 nan 0.000 0.527 360 Q N -0.510 119.301 119.800 0.019 0.000 2.165 360 Q HA 0.617 4.957 4.340 -0.000 0.000 0.245 360 Q C 1.929 177.919 176.000 -0.017 0.000 0.841 360 Q CA 0.605 56.410 55.803 0.004 0.000 1.078 360 Q CB 0.701 29.439 28.738 -0.001 0.000 1.169 360 Q HN 0.679 nan 8.270 nan 0.000 0.475 361 A N 0.103 122.913 122.820 -0.017 0.000 1.877 361 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 361 A C 2.181 179.699 177.584 -0.109 0.000 1.186 361 A CA 1.505 53.517 52.037 -0.042 0.000 0.620 361 A CB -0.715 18.272 19.000 -0.021 0.000 0.822 361 A HN 0.500 nan 8.150 nan 0.000 0.443 362 C N -0.409 118.820 119.300 -0.118 0.000 2.413 362 C HA -0.108 4.352 4.460 -0.000 0.000 0.276 362 C C 3.431 178.311 174.990 -0.183 0.000 1.236 362 C CA 1.506 60.416 59.018 -0.179 0.000 1.735 362 C CB -1.313 26.336 27.740 -0.151 0.000 2.031 362 C HN 0.772 nan 8.230 nan 0.000 0.474 363 S N 0.832 116.463 115.700 -0.115 0.000 2.382 363 S HA -0.171 4.299 4.470 -0.000 0.000 0.228 363 S C 1.973 176.505 174.600 -0.114 0.000 1.027 363 S CA 1.307 59.449 58.200 -0.096 0.000 0.991 363 S CB -0.441 62.729 63.200 -0.050 0.000 0.823 363 S HN 0.668 nan 8.310 nan 0.000 0.469 364 R N 0.186 120.620 120.500 -0.110 0.000 2.090 364 R HA 0.163 4.503 4.340 -0.000 0.000 0.228 364 R C 2.342 178.520 176.300 -0.203 0.000 1.110 364 R CA 1.511 57.550 56.100 -0.102 0.000 0.973 364 R CB -0.499 29.779 30.300 -0.038 0.000 0.869 364 R HN 0.476 nan 8.270 nan 0.000 0.440 365 I N 1.014 121.382 120.570 -0.336 0.000 2.202 365 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 365 I C 2.231 178.034 176.117 -0.525 0.000 1.091 365 I CA 1.245 62.135 61.300 -0.683 0.000 1.368 365 I CB -0.217 37.241 38.000 -0.903 0.000 1.058 365 I HN 0.130 nan 8.210 nan 0.000 0.410 366 L N 0.114 121.123 121.223 -0.355 0.000 2.046 366 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 366 L C 2.545 179.351 176.870 -0.107 0.000 1.077 366 L CA 1.449 56.157 54.840 -0.220 0.000 0.747 366 L CB -0.783 41.215 42.059 -0.102 0.000 0.896 366 L HN 0.252 nan 8.230 nan 0.000 0.432 367 E N 0.622 120.735 120.200 -0.144 0.000 2.110 367 E HA -0.179 4.170 4.350 -0.000 0.000 0.193 367 E C 2.144 178.647 176.600 -0.161 0.000 0.988 367 E CA 1.425 57.743 56.400 -0.135 0.000 0.804 367 E CB -0.046 29.592 29.700 -0.104 0.000 0.745 367 E HN 0.382 nan 8.360 nan 0.000 0.458 368 A N 0.165 122.835 122.820 -0.250 0.000 1.930 368 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 368 A C 2.225 179.700 177.584 -0.183 0.000 1.175 368 A CA 1.164 52.946 52.037 -0.426 0.000 0.627 368 A CB -0.633 17.803 19.000 -0.940 0.000 0.815 368 A HN 0.321 nan 8.150 nan 0.000 0.443 369 L N -0.633 120.526 121.223 -0.106 0.000 2.046 369 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 369 L C 2.611 179.550 176.870 0.116 0.000 1.077 369 L CA 1.837 56.697 54.840 0.032 0.000 0.747 369 L CB -0.378 41.701 42.059 0.033 0.000 0.896 369 L HN 0.362 nan 8.230 nan 0.000 0.432 370 K N -0.283 120.090 120.400 -0.045 0.000 2.031 370 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 370 K C 1.648 178.200 176.600 -0.081 0.000 1.049 370 K CA 1.255 57.389 56.287 -0.256 0.000 0.939 370 K CB -0.162 31.965 32.500 -0.621 0.000 0.717 370 K HN 0.264 nan 8.250 nan 0.000 0.438 371 N N 0.758 119.423 118.700 -0.059 0.000 2.467 371 N HA -0.021 4.719 4.740 -0.000 0.000 0.184 371 N C 0.125 175.679 175.510 0.073 0.000 1.106 371 N CA 0.588 53.639 53.050 0.000 0.000 0.892 371 N CB 0.252 38.732 38.487 -0.013 0.000 0.969 371 N HN 0.213 nan 8.380 nan 0.000 0.454 372 N N 0.462 119.235 118.700 0.123 0.000 2.451 372 N HA 0.049 4.789 4.740 -0.000 0.000 0.271 372 N C -0.423 175.246 175.510 0.264 0.000 1.410 372 N CA -0.191 52.983 53.050 0.207 0.000 0.884 372 N CB 1.499 40.182 38.487 0.326 0.000 1.332 372 N HN 0.098 nan 8.380 nan 0.000 0.498 373 R N 1.304 121.951 120.500 0.245 0.000 2.585 373 R HA 0.070 4.410 4.340 -0.000 0.000 0.275 373 R C 0.135 176.541 176.300 0.176 0.000 1.018 373 R CA 0.141 56.412 56.100 0.285 0.000 1.072 373 R CB 0.482 30.920 30.300 0.231 0.000 0.953 373 R HN 0.008 nan 8.270 nan 0.000 0.419 374 I N 4.180 124.850 120.570 0.167 0.000 2.363 374 I HA -0.041 4.129 4.170 -0.000 0.000 0.292 374 I C 1.264 177.423 176.117 0.070 0.000 1.075 374 I CA 0.606 61.934 61.300 0.047 0.000 1.333 374 I CB 0.808 38.790 38.000 -0.029 0.000 1.415 374 I HN 0.808 nan 8.210 nan 0.000 0.502 375 S N 6.962 122.691 115.700 0.048 0.000 2.380 375 S HA 0.064 4.534 4.470 -0.000 0.000 0.217 375 S C 0.478 175.097 174.600 0.031 0.000 1.036 375 S CA 1.318 59.542 58.200 0.041 0.000 1.050 375 S CB -0.071 63.147 63.200 0.031 0.000 1.016 375 S HN 0.630 nan 8.310 nan 0.000 0.419 376 L N 0.000 121.236 121.223 0.021 0.000 2.949 376 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 376 L CA 0.000 54.850 54.840 0.016 0.000 0.813 376 L CB 0.000 42.067 42.059 0.014 0.000 0.961 376 L HN 0.000 nan 8.230 nan 0.000 0.502