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 1zcz_1_B DATA FIRST_RESID -1 DATA SEQUENCE HHMKRILVSL YEKEKYLDIL RELHEKGWEI WASSGTAKFL KSNGIEANDV DATA SEQUENCE STITGFENLL GGLVKTLHPE IFAGILGPEP RWDVVFVDLY PPPDIDIGGV DATA SEQUENCE ALLRAAAKNW KKVKPAFDME TLKLAIEIDD EETRKYLAGM TFAFTSVYDS DATA SEQUENCE IRANQFVEGI SLAFKREDLQ LRYGENPHEK AFVYGKPAFE ILHEGKTISF DATA SEQUENCE NNILDAENAW FMAKNLPRMG AVVVKHQSPC GAAIGEDKVE IVKKAIEADD DATA SEQUENCE ESSFGGILAV NFEMDEEVAK SLKKYLEVIV APSFTQEAIE VLSKKKVRLL DATA SEQUENCE KPGDYASWAG KMAFGSLVLS ERKYPEGNFE LVVGEPLSEK ELEDLEFAYR DATA SEQUENCE VVEGAKSNAV LIAKDGVTVG IGSGQPSRKR AAWIATVMAG EKAKGAVAAS DATA SEQUENCE DAFFPFPDSL EILAQAGVKA VVAPLGSIRD EEVIEKAREL GITFYKAPSR DATA SEQUENCE VFRH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 H HA 0.000 nan 4.556 nan 0.000 0.296 -1 H C 0.000 175.324 175.328 -0.007 0.000 0.993 -1 H CA 0.000 56.035 56.048 -0.023 0.000 1.023 -1 H CB 0.000 29.741 29.762 -0.035 0.000 1.292 0 H N 1.887 120.966 119.070 0.014 0.000 2.622 0 H HA 0.216 4.791 4.556 0.031 0.000 0.269 0 H C 0.390 175.697 175.328 -0.035 0.000 0.977 0 H CA -0.073 55.960 56.048 -0.025 0.000 1.179 0 H CB 1.145 30.873 29.762 -0.056 0.000 1.458 0 H HN 0.439 nan 8.280 nan 0.000 0.531 1 M N -0.356 119.152 119.600 -0.153 0.000 2.716 1 M HA 0.369 4.868 4.480 0.031 0.000 0.278 1 M C -0.978 175.210 176.300 -0.186 0.000 1.281 1 M CA -0.910 54.324 55.300 -0.110 0.000 0.814 1 M CB 2.595 35.120 32.600 -0.124 0.000 1.719 1 M HN -0.145 nan 8.290 nan 0.000 0.457 2 K N 0.393 120.579 120.400 -0.355 0.000 3.257 2 K HA -0.175 4.164 4.320 0.031 0.000 0.270 2 K C -1.226 175.255 176.600 -0.198 0.000 0.984 2 K CA 0.847 56.599 56.287 -0.891 0.000 0.739 2 K CB -1.467 30.299 32.500 -1.222 0.000 1.351 2 K HN 0.660 nan 8.250 nan 0.000 0.463 3 R N 0.742 121.365 120.500 0.205 0.000 2.445 3 R HA 0.590 4.949 4.340 0.031 0.000 0.308 3 R C -0.227 176.474 176.300 0.667 0.000 0.961 3 R CA -0.686 55.701 56.100 0.479 0.000 0.862 3 R CB 1.624 32.135 30.300 0.352 0.000 1.144 3 R HN 0.266 nan 8.270 nan 0.000 0.447 4 I N 3.855 124.821 120.570 0.660 0.000 2.466 4 I HA 0.300 4.489 4.170 0.031 0.000 0.289 4 I C -1.480 174.775 176.117 0.230 0.000 1.026 4 I CA -1.307 60.233 61.300 0.400 0.000 1.078 4 I CB 1.422 39.529 38.000 0.178 0.000 1.249 4 I HN 0.485 nan 8.210 nan 0.000 0.429 5 L N 9.038 130.213 121.223 -0.081 0.000 2.275 5 L HA 0.608 4.967 4.340 0.031 0.000 0.288 5 L C -1.182 175.568 176.870 -0.201 0.000 1.046 5 L CA -0.039 54.550 54.840 -0.417 0.000 0.805 5 L CB 1.457 42.817 42.059 -1.165 0.000 1.193 5 L HN 0.386 nan 8.230 nan 0.000 0.426 6 V N 3.747 123.579 119.914 -0.136 0.000 2.680 6 V HA 0.640 4.779 4.120 0.031 0.000 0.309 6 V C -0.316 175.693 176.094 -0.142 0.000 1.052 6 V CA -0.582 61.673 62.300 -0.075 0.000 0.908 6 V CB 1.757 33.593 31.823 0.022 0.000 1.001 6 V HN 0.793 nan 8.190 nan 0.000 0.431 7 S N 4.760 120.343 115.700 -0.195 0.000 2.789 7 S HA 0.727 5.215 4.470 0.031 0.000 0.286 7 S C -1.164 173.307 174.600 -0.214 0.000 1.153 7 S CA -0.437 57.655 58.200 -0.180 0.000 1.084 7 S CB 0.306 63.396 63.200 -0.184 0.000 1.036 7 S HN 0.583 nan 8.310 nan 0.000 0.484 8 L N 5.472 126.607 121.223 -0.147 0.000 2.362 8 L HA 0.488 4.846 4.340 0.031 0.000 0.275 8 L C 0.401 177.201 176.870 -0.117 0.000 0.998 8 L CA -0.810 53.941 54.840 -0.148 0.000 0.820 8 L CB 1.817 43.818 42.059 -0.096 0.000 1.270 8 L HN 0.882 nan 8.230 nan 0.000 0.415 9 Y N 1.613 121.749 120.300 -0.273 0.000 2.343 9 Y HA 0.194 4.764 4.550 0.032 0.000 0.294 9 Y C 1.051 176.812 175.900 -0.231 0.000 1.122 9 Y CA 0.568 58.394 58.100 -0.457 0.000 1.173 9 Y CB 0.118 37.931 38.460 -1.078 0.000 1.077 9 Y HN 0.563 nan 8.280 nan 0.000 0.542 10 E N 2.032 121.539 120.200 -1.154 0.000 1.924 10 E HA 0.506 4.875 4.350 0.031 0.000 0.261 10 E C 1.129 177.596 176.600 -0.222 0.000 1.088 10 E CA 0.255 56.145 56.400 -0.851 0.000 0.909 10 E CB -0.086 29.170 29.700 -0.740 0.000 1.112 10 E HN 0.651 nan 8.360 nan 0.000 0.425 11 K N 0.309 120.604 120.400 -0.174 0.000 2.026 11 K HA -0.022 4.316 4.320 0.031 0.000 0.208 11 K C 2.303 178.891 176.600 -0.020 0.000 1.048 11 K CA 1.942 58.200 56.287 -0.048 0.000 0.929 11 K CB -0.977 31.492 32.500 -0.052 0.000 0.713 11 K HN 0.789 nan 8.250 nan 0.000 0.439 12 E N 0.623 120.782 120.200 -0.069 0.000 2.208 12 E HA -0.004 4.365 4.350 0.031 0.000 0.193 12 E C 2.461 179.006 176.600 -0.091 0.000 0.988 12 E CA 1.799 58.161 56.400 -0.063 0.000 0.828 12 E CB -1.187 28.475 29.700 -0.063 0.000 0.763 12 E HN 0.794 nan 8.360 nan 0.000 0.478 13 K N 0.009 120.322 120.400 -0.145 0.000 2.000 13 K HA -0.142 4.196 4.320 0.031 0.000 0.218 13 K C 1.761 178.180 176.600 -0.301 0.000 1.053 13 K CA 1.797 57.907 56.287 -0.296 0.000 0.946 13 K CB -1.153 31.047 32.500 -0.501 0.000 0.723 13 K HN 0.653 nan 8.250 nan 0.000 0.446 14 Y N -0.082 120.191 120.300 -0.045 0.000 2.718 14 Y HA 0.312 4.880 4.550 0.030 0.000 0.322 14 Y C 1.494 177.361 175.900 -0.055 0.000 1.122 14 Y CA -0.510 57.564 58.100 -0.044 0.000 1.348 14 Y CB 0.112 38.576 38.460 0.006 0.000 1.174 14 Y HN 0.257 nan 8.280 nan 0.000 0.523 15 L N -0.325 120.923 121.223 0.042 0.000 2.307 15 L HA 0.026 4.385 4.340 0.031 0.000 0.211 15 L C 1.607 178.478 176.870 0.003 0.000 1.099 15 L CA 1.657 56.507 54.840 0.017 0.000 0.816 15 L CB -0.087 41.969 42.059 -0.006 0.000 0.952 15 L HN 0.148 nan 8.230 nan 0.000 0.455 16 D N -0.337 120.057 120.400 -0.011 0.000 2.194 16 D HA -0.087 4.572 4.640 0.031 0.000 0.204 16 D C 2.134 178.425 176.300 -0.014 0.000 0.964 16 D CA 1.293 55.284 54.000 -0.016 0.000 0.846 16 D CB 0.299 41.082 40.800 -0.029 0.000 0.962 16 D HN 0.363 nan 8.370 nan 0.000 0.490 17 I N 1.026 121.588 120.570 -0.014 0.000 2.315 17 I HA -0.183 4.006 4.170 0.031 0.000 0.248 17 I C 2.465 178.551 176.117 -0.053 0.000 1.117 17 I CA 0.742 62.020 61.300 -0.038 0.000 1.404 17 I CB -0.215 37.768 38.000 -0.029 0.000 1.071 17 I HN -0.067 nan 8.210 nan 0.000 0.419 18 L N -0.356 120.850 121.223 -0.028 0.000 2.240 18 L HA -0.089 4.269 4.340 0.031 0.000 0.211 18 L C 2.658 179.540 176.870 0.021 0.000 1.106 18 L CA 0.795 55.618 54.840 -0.027 0.000 0.793 18 L CB -0.479 41.570 42.059 -0.017 0.000 0.927 18 L HN 0.188 nan 8.230 nan 0.000 0.446 19 R N 0.589 121.103 120.500 0.024 0.000 2.073 19 R HA -0.174 4.185 4.340 0.031 0.000 0.234 19 R C 2.111 178.452 176.300 0.068 0.000 1.134 19 R CA 1.562 57.694 56.100 0.054 0.000 0.952 19 R CB -0.041 30.277 30.300 0.030 0.000 0.850 19 R HN 0.377 nan 8.270 nan 0.000 0.433 20 E N 0.481 120.699 120.200 0.031 0.000 2.051 20 E HA -0.217 4.152 4.350 0.031 0.000 0.192 20 E C 2.156 178.792 176.600 0.059 0.000 0.991 20 E CA 1.365 57.782 56.400 0.028 0.000 0.799 20 E CB -0.117 29.582 29.700 -0.002 0.000 0.748 20 E HN 0.382 nan 8.360 nan 0.000 0.449 21 L N 0.512 121.756 121.223 0.036 0.000 1.989 21 L HA -0.237 4.122 4.340 0.031 0.000 0.211 21 L C 2.818 179.852 176.870 0.272 0.000 1.071 21 L CA 1.496 56.379 54.840 0.073 0.000 0.749 21 L CB -0.760 41.214 42.059 -0.143 0.000 0.890 21 L HN 0.347 nan 8.230 nan 0.000 0.431 22 H N 0.461 119.601 119.070 0.117 0.000 2.389 22 H HA -0.158 4.416 4.556 0.031 0.000 0.299 22 H C 1.943 177.324 175.328 0.087 0.000 1.081 22 H CA 1.563 57.678 56.048 0.111 0.000 1.345 22 H CB 0.310 30.100 29.762 0.045 0.000 1.393 22 H HN 0.431 nan 8.280 nan 0.000 0.520 23 E N 0.467 120.659 120.200 -0.012 0.000 2.204 23 E HA -0.123 4.245 4.350 0.031 0.000 0.195 23 E C 1.352 177.930 176.600 -0.036 0.000 0.990 23 E CA 0.796 57.157 56.400 -0.066 0.000 0.821 23 E CB 0.163 29.866 29.700 0.006 0.000 0.750 23 E HN 0.435 nan 8.360 nan 0.000 0.477 24 K N -0.701 119.733 120.400 0.056 0.000 2.446 24 K HA 0.146 4.484 4.320 0.031 0.000 0.203 24 K C 0.611 177.244 176.600 0.055 0.000 1.027 24 K CA 0.387 56.728 56.287 0.091 0.000 1.166 24 K CB 1.014 33.627 32.500 0.189 0.000 0.869 24 K HN 0.183 nan 8.250 nan 0.000 0.504 25 G N 0.628 109.418 108.800 -0.016 0.000 2.141 25 G HA2 -0.216 3.763 3.960 0.031 0.000 0.231 25 G HA3 -0.216 3.763 3.960 0.031 0.000 0.231 25 G C -0.581 174.260 174.900 -0.099 0.000 0.984 25 G CA -0.638 44.407 45.100 -0.092 0.000 0.660 25 G HN 0.245 nan 8.290 nan 0.000 0.525 26 W N 1.299 122.607 121.300 0.013 0.000 2.266 26 W HA 0.544 5.224 4.660 0.032 0.000 0.317 26 W C 0.765 177.350 176.519 0.109 0.000 1.310 26 W CA -0.235 57.153 57.345 0.071 0.000 1.207 26 W CB 0.707 30.208 29.460 0.068 0.000 1.199 26 W HN 0.259 nan 8.180 nan 0.000 0.544 27 E N 4.429 124.808 120.200 0.298 0.000 2.115 27 E HA 0.317 4.686 4.350 0.031 0.000 0.282 27 E C -0.822 175.980 176.600 0.337 0.000 0.987 27 E CA -0.435 56.094 56.400 0.215 0.000 0.797 27 E CB 0.453 30.219 29.700 0.110 0.000 1.086 27 E HN 0.396 nan 8.360 nan 0.000 0.397 28 I N 5.076 125.744 120.570 0.164 0.000 2.353 28 I HA 0.277 4.466 4.170 0.031 0.000 0.293 28 I C -0.685 175.445 176.117 0.022 0.000 0.992 28 I CA -0.618 60.770 61.300 0.148 0.000 1.268 28 I CB 0.675 38.696 38.000 0.035 0.000 1.387 28 I HN 0.510 nan 8.210 nan 0.000 0.478 29 W N 5.347 126.686 121.300 0.064 0.000 2.689 29 W HA 0.780 5.459 4.660 0.031 0.000 0.340 29 W C -0.030 176.427 176.519 -0.104 0.000 1.060 29 W CA -0.191 57.169 57.345 0.024 0.000 1.218 29 W CB 1.774 31.322 29.460 0.146 0.000 1.410 29 W HN 0.531 nan 8.180 nan 0.000 0.528 30 A N 0.679 123.570 122.820 0.117 0.000 2.467 30 A HA 0.706 5.044 4.320 0.031 0.000 0.301 30 A C -0.556 177.037 177.584 0.015 0.000 1.126 30 A CA -0.854 51.187 52.037 0.006 0.000 0.632 30 A CB 0.325 19.313 19.000 -0.020 0.000 1.331 30 A HN 0.351 nan 8.150 nan 0.000 0.482 31 S N 0.016 115.708 115.700 -0.014 0.000 2.563 31 S HA 0.169 4.658 4.470 0.031 0.000 0.269 31 S C 1.594 176.205 174.600 0.018 0.000 1.364 31 S CA 0.462 58.663 58.200 0.002 0.000 1.010 31 S CB 0.896 64.094 63.200 -0.003 0.000 0.877 31 S HN 1.065 nan 8.310 nan 0.000 0.549 32 S N 1.330 117.053 115.700 0.039 0.000 2.400 32 S HA -0.094 4.394 4.470 0.031 0.000 0.232 32 S C 1.926 176.539 174.600 0.022 0.000 1.025 32 S CA 1.477 59.702 58.200 0.042 0.000 0.993 32 S CB -0.682 62.564 63.200 0.077 0.000 0.808 32 S HN 0.835 nan 8.310 nan 0.000 0.478 33 G N -0.161 108.653 108.800 0.022 0.000 2.411 33 G HA2 -0.060 3.919 3.960 0.031 0.000 0.213 33 G HA3 -0.060 3.919 3.960 0.031 0.000 0.213 33 G C 1.484 176.383 174.900 -0.002 0.000 1.166 33 G CA 1.134 46.243 45.100 0.015 0.000 0.802 33 G HN 0.535 nan 8.290 nan 0.000 0.533 34 T N 1.906 116.455 114.554 -0.008 0.000 2.812 34 T HA 0.085 4.453 4.350 0.031 0.000 0.264 34 T C 2.821 177.499 174.700 -0.035 0.000 1.042 34 T CA 1.262 63.349 62.100 -0.022 0.000 1.140 34 T CB -0.367 68.485 68.868 -0.026 0.000 0.870 34 T HN 0.335 nan 8.240 nan 0.000 0.445 35 A N 1.881 124.677 122.820 -0.039 0.000 1.927 35 A HA -0.191 4.148 4.320 0.031 0.000 0.220 35 A C 2.534 180.080 177.584 -0.063 0.000 1.185 35 A CA 2.790 54.789 52.037 -0.064 0.000 0.639 35 A CB -1.158 17.803 19.000 -0.064 0.000 0.820 35 A HN 0.589 nan 8.150 nan 0.000 0.451 36 K N -1.591 118.785 120.400 -0.041 0.000 2.007 36 K HA -0.044 4.295 4.320 0.031 0.000 0.206 36 K C 2.382 178.960 176.600 -0.037 0.000 1.047 36 K CA 1.679 57.944 56.287 -0.036 0.000 0.937 36 K CB -1.839 30.648 32.500 -0.021 0.000 0.718 36 K HN 0.934 nan 8.250 nan 0.000 0.438 37 F N 1.515 121.448 119.950 -0.029 0.000 2.045 37 F HA -0.235 4.311 4.527 0.031 0.000 0.297 37 F C 2.298 178.075 175.800 -0.037 0.000 1.114 37 F CA 2.233 60.217 58.000 -0.027 0.000 1.207 37 F CB -0.828 38.158 39.000 -0.023 0.000 0.964 37 F HN 0.295 nan 8.300 nan 0.000 0.486 38 L N 0.755 121.948 121.223 -0.048 0.000 2.042 38 L HA -0.192 4.166 4.340 0.031 0.000 0.210 38 L C 2.997 179.822 176.870 -0.076 0.000 1.076 38 L CA 2.509 57.311 54.840 -0.064 0.000 0.749 38 L CB -1.372 40.637 42.059 -0.083 0.000 0.893 38 L HN 0.469 nan 8.230 nan 0.000 0.432 39 K N 0.235 120.587 120.400 -0.080 0.000 2.097 39 K HA -0.178 4.161 4.320 0.031 0.000 0.206 39 K C 2.246 178.814 176.600 -0.054 0.000 1.049 39 K CA 1.750 57.989 56.287 -0.080 0.000 0.933 39 K CB -1.261 31.191 32.500 -0.079 0.000 0.717 39 K HN 0.604 nan 8.250 nan 0.000 0.442 40 S N 1.238 116.912 115.700 -0.042 0.000 2.368 40 S HA -0.146 4.342 4.470 0.031 0.000 0.224 40 S C 1.617 176.201 174.600 -0.027 0.000 1.029 40 S CA 1.072 59.255 58.200 -0.030 0.000 0.988 40 S CB -0.371 62.815 63.200 -0.023 0.000 0.838 40 S HN 0.588 nan 8.310 nan 0.000 0.462 41 N N 1.952 120.634 118.700 -0.030 0.000 2.617 41 N HA 0.107 4.866 4.740 0.031 0.000 0.198 41 N C 1.250 176.745 175.510 -0.026 0.000 1.317 41 N CA 0.839 53.874 53.050 -0.025 0.000 0.892 41 N CB -0.241 38.231 38.487 -0.025 0.000 1.041 41 N HN 0.782 nan 8.380 nan 0.000 0.450 42 G N 0.581 109.362 108.800 -0.032 0.000 2.184 42 G HA2 -0.294 3.685 3.960 0.031 0.000 0.264 42 G HA3 -0.294 3.685 3.960 0.031 0.000 0.264 42 G C 0.114 174.989 174.900 -0.042 0.000 0.975 42 G CA -0.056 45.028 45.100 -0.027 0.000 0.642 42 G HN 0.391 nan 8.290 nan 0.000 0.536 43 I N 1.035 121.557 120.570 -0.080 0.000 2.312 43 I HA 0.380 4.569 4.170 0.031 0.000 0.290 43 I C 0.450 176.394 176.117 -0.287 0.000 1.008 43 I CA -0.908 60.294 61.300 -0.164 0.000 1.226 43 I CB 1.482 39.409 38.000 -0.122 0.000 1.371 43 I HN 0.116 nan 8.210 nan 0.000 0.468 44 E N 5.548 125.452 120.200 -0.492 0.000 2.376 44 E HA 0.505 4.873 4.350 0.031 0.000 0.266 44 E C -0.843 175.500 176.600 -0.429 0.000 1.009 44 E CA 0.006 56.152 56.400 -0.424 0.000 0.902 44 E CB 0.819 30.310 29.700 -0.348 0.000 0.972 44 E HN 0.677 nan 8.360 nan 0.000 0.439 45 A N 4.704 127.351 122.820 -0.290 0.000 2.594 45 A HA 0.527 4.866 4.320 0.031 0.000 0.295 45 A C -1.259 176.132 177.584 -0.322 0.000 1.071 45 A CA -0.989 50.885 52.037 -0.271 0.000 0.685 45 A CB 1.410 20.297 19.000 -0.188 0.000 1.285 45 A HN 0.641 nan 8.150 nan 0.000 0.405 46 N N 1.364 119.774 118.700 -0.482 0.000 2.399 46 N HA 0.341 5.100 4.740 0.031 0.000 0.295 46 N C -1.615 173.688 175.510 -0.345 0.000 1.048 46 N CA -0.273 52.360 53.050 -0.696 0.000 0.886 46 N CB 2.075 39.492 38.487 -1.782 0.000 1.185 46 N HN 0.749 nan 8.380 nan 0.000 0.487 47 D N 1.577 121.876 120.400 -0.168 0.000 2.295 47 D HA 0.201 4.859 4.640 0.031 0.000 0.248 47 D C 1.163 177.618 176.300 0.258 0.000 1.154 47 D CA -0.410 53.615 54.000 0.042 0.000 0.857 47 D CB 1.116 41.932 40.800 0.027 0.000 1.117 47 D HN 0.433 nan 8.370 nan 0.000 0.468 48 V N 3.553 123.661 119.914 0.323 0.000 2.490 48 V HA -0.215 3.923 4.120 0.031 0.000 0.250 48 V C 2.354 178.605 176.094 0.262 0.000 1.061 48 V CA 2.719 65.253 62.300 0.389 0.000 1.064 48 V CB -1.306 30.631 31.823 0.190 0.000 0.670 48 V HN 0.731 nan 8.190 nan 0.000 0.461 49 S N 1.067 116.877 115.700 0.183 0.000 2.407 49 S HA -0.288 4.201 4.470 0.031 0.000 0.235 49 S C 2.129 176.855 174.600 0.209 0.000 1.036 49 S CA 2.718 61.028 58.200 0.184 0.000 1.013 49 S CB -1.177 62.137 63.200 0.191 0.000 0.820 49 S HN 1.046 nan 8.310 nan 0.000 0.476 50 T N -1.879 112.803 114.554 0.214 0.000 3.051 50 T HA 0.165 4.534 4.350 0.031 0.000 0.269 50 T C 1.275 176.105 174.700 0.217 0.000 1.127 50 T CA 1.062 63.280 62.100 0.198 0.000 1.107 50 T CB -0.167 68.816 68.868 0.191 0.000 0.898 50 T HN 0.324 nan 8.240 nan 0.000 0.517 51 I N 0.651 121.369 120.570 0.245 0.000 4.018 51 I HA 0.398 4.587 4.170 0.031 0.000 0.337 51 I C 0.407 176.627 176.117 0.171 0.000 1.327 51 I CA -0.088 61.329 61.300 0.195 0.000 1.100 51 I CB 0.621 38.729 38.000 0.180 0.000 1.025 51 I HN 0.270 nan 8.210 nan 0.000 0.396 52 T N -1.490 113.186 114.554 0.203 0.000 2.841 52 T HA 0.658 5.027 4.350 0.031 0.000 0.296 52 T C 0.092 174.951 174.700 0.264 0.000 1.166 52 T CA -0.288 61.957 62.100 0.242 0.000 1.007 52 T CB 1.071 70.130 68.868 0.318 0.000 1.253 52 T HN 0.120 nan 8.240 nan 0.000 0.511 53 G N 1.033 109.988 108.800 0.257 0.000 2.544 53 G HA2 0.429 4.408 3.960 0.031 0.000 0.242 53 G HA3 0.429 4.408 3.960 0.031 0.000 0.242 53 G C -0.861 174.239 174.900 0.333 0.000 1.247 53 G CA -0.348 44.889 45.100 0.229 0.000 0.840 53 G HN 0.613 nan 8.290 nan 0.000 0.578 54 F N 1.189 121.229 119.950 0.150 0.000 2.408 54 F HA 0.543 5.089 4.527 0.032 0.000 0.344 54 F C 0.074 175.955 175.800 0.136 0.000 1.112 54 F CA -0.748 57.345 58.000 0.155 0.000 1.096 54 F CB 1.471 40.530 39.000 0.098 0.000 1.129 54 F HN 0.604 nan 8.300 nan 0.000 0.486 55 E N 2.858 122.649 120.200 -0.681 0.000 2.356 55 E HA 0.228 4.597 4.350 0.031 0.000 0.275 55 E C -1.529 174.639 176.600 -0.720 0.000 0.904 55 E CA -0.855 55.247 56.400 -0.496 0.000 0.757 55 E CB 1.193 30.785 29.700 -0.180 0.000 1.232 55 E HN 0.566 nan 8.360 nan 0.000 0.442 56 N N 2.240 120.719 118.700 -0.368 0.000 2.282 56 N HA 0.185 4.944 4.740 0.031 0.000 0.240 56 N C -0.639 174.821 175.510 -0.084 0.000 1.182 56 N CA -0.205 52.720 53.050 -0.208 0.000 0.874 56 N CB 0.323 38.812 38.487 0.005 0.000 1.126 56 N HN 0.468 nan 8.380 nan 0.000 0.516 57 L N 2.013 123.183 121.223 -0.088 0.000 2.455 57 L HA 0.109 4.468 4.340 0.031 0.000 0.272 57 L C 0.970 177.828 176.870 -0.021 0.000 1.174 57 L CA 0.022 54.839 54.840 -0.038 0.000 0.869 57 L CB 0.478 42.517 42.059 -0.033 0.000 1.130 57 L HN 0.282 nan 8.230 nan 0.000 0.474 58 L N 4.009 125.229 121.223 -0.006 0.000 3.678 58 L HA -0.254 4.105 4.340 0.031 0.000 0.425 58 L C 1.216 178.091 176.870 0.007 0.000 1.240 58 L CA 0.523 55.365 54.840 0.003 0.000 0.876 58 L CB -2.174 39.887 42.059 0.004 0.000 1.766 58 L HN 1.148 nan 8.230 nan 0.000 0.917 59 G N -0.807 107.998 108.800 0.009 0.000 2.296 59 G HA2 0.011 3.990 3.960 0.031 0.000 0.282 59 G HA3 0.011 3.990 3.960 0.031 0.000 0.282 59 G C 1.183 176.095 174.900 0.020 0.000 1.014 59 G CA 0.985 46.097 45.100 0.021 0.000 0.812 59 G HN 1.930 nan 8.290 nan 0.000 0.508 60 G N -1.973 106.827 108.800 0.000 0.000 2.201 60 G HA2 -0.193 3.786 3.960 0.031 0.000 0.212 60 G HA3 -0.193 3.786 3.960 0.031 0.000 0.212 60 G C 1.092 175.998 174.900 0.010 0.000 0.994 60 G CA 0.648 45.747 45.100 -0.002 0.000 0.644 60 G HN 0.897 nan 8.290 nan 0.000 0.508 61 L N 0.986 122.219 121.223 0.017 0.000 2.137 61 L HA -0.090 4.269 4.340 0.031 0.000 0.213 61 L C 2.696 179.587 176.870 0.035 0.000 1.085 61 L CA 2.936 57.792 54.840 0.027 0.000 0.760 61 L CB -0.642 41.430 42.059 0.022 0.000 0.893 61 L HN 0.969 nan 8.230 nan 0.000 0.434 62 V N -3.510 116.427 119.914 0.038 0.000 3.214 62 V HA 0.083 4.222 4.120 0.031 0.000 0.330 62 V C 1.690 177.854 176.094 0.117 0.000 1.403 62 V CA 0.195 62.540 62.300 0.075 0.000 1.143 62 V CB 0.018 31.883 31.823 0.071 0.000 1.098 62 V HN 0.347 nan 8.190 nan 0.000 0.463 63 K N 0.027 120.438 120.400 0.018 0.000 2.362 63 K HA 0.013 4.352 4.320 0.031 0.000 0.200 63 K C 1.429 177.834 176.600 -0.325 0.000 1.046 63 K CA 1.943 58.131 56.287 -0.166 0.000 0.952 63 K CB -1.048 31.360 32.500 -0.153 0.000 0.753 63 K HN 0.396 nan 8.250 nan 0.000 0.466 64 T N 0.907 115.416 114.554 -0.074 0.000 3.014 64 T HA 0.131 4.500 4.350 0.031 0.000 0.263 64 T C 0.526 175.354 174.700 0.212 0.000 1.078 64 T CA 0.433 62.528 62.100 -0.009 0.000 1.135 64 T CB -0.098 68.793 68.868 0.039 0.000 0.895 64 T HN 0.103 nan 8.240 nan 0.000 0.480 65 L N 2.537 123.938 121.223 0.295 0.000 2.583 65 L HA 0.253 4.612 4.340 0.031 0.000 0.239 65 L C 0.055 177.189 176.870 0.440 0.000 1.347 65 L CA -0.004 55.047 54.840 0.352 0.000 1.246 65 L CB -0.516 41.644 42.059 0.168 0.000 1.496 65 L HN 0.316 nan 8.230 nan 0.000 0.413 66 H N 0.440 119.654 119.070 0.241 0.000 2.622 66 H HA 0.249 4.824 4.556 0.031 0.000 0.363 66 H C -1.532 173.940 175.328 0.241 0.000 1.151 66 H CA -1.966 54.186 56.048 0.173 0.000 1.184 66 H CB 2.381 32.223 29.762 0.133 0.000 1.643 66 H HN 0.012 nan 8.280 nan 0.000 0.531 67 P HA -0.141 nan 4.420 nan 0.000 0.217 67 P C 0.680 178.112 177.300 0.220 0.000 1.150 67 P CA 1.175 64.396 63.100 0.202 0.000 0.832 67 P CB 0.504 32.263 31.700 0.100 0.000 0.787 68 E N -0.217 120.103 120.200 0.200 0.000 2.150 68 E HA -0.080 4.289 4.350 0.031 0.000 0.193 68 E C 2.191 178.896 176.600 0.175 0.000 0.985 68 E CA 0.791 57.283 56.400 0.155 0.000 0.814 68 E CB -0.841 28.943 29.700 0.140 0.000 0.752 68 E HN 0.294 nan 8.360 nan 0.000 0.466 69 I N -0.316 120.384 120.570 0.216 0.000 2.202 69 I HA -0.220 3.969 4.170 0.031 0.000 0.242 69 I C 1.637 177.779 176.117 0.041 0.000 1.091 69 I CA 1.023 62.413 61.300 0.150 0.000 1.368 69 I CB -0.193 37.797 38.000 -0.016 0.000 1.058 69 I HN 0.057 nan 8.210 nan 0.000 0.410 70 F N 0.920 120.960 119.950 0.150 0.000 2.234 70 F HA -0.130 4.415 4.527 0.031 0.000 0.299 70 F C 2.579 178.445 175.800 0.110 0.000 1.087 70 F CA 1.230 59.302 58.000 0.120 0.000 1.340 70 F CB -0.627 38.424 39.000 0.085 0.000 1.031 70 F HN -0.009 nan 8.300 nan 0.000 0.500 71 A N 0.093 123.046 122.820 0.221 0.000 1.930 71 A HA -0.022 4.317 4.320 0.031 0.000 0.217 71 A C 2.520 180.135 177.584 0.051 0.000 1.175 71 A CA 1.512 53.620 52.037 0.119 0.000 0.627 71 A CB -1.540 17.510 19.000 0.083 0.000 0.815 71 A HN 0.380 nan 8.150 nan 0.000 0.443 72 G N -0.434 108.389 108.800 0.038 0.000 2.498 72 G HA2 -0.081 3.898 3.960 0.031 0.000 0.219 72 G HA3 -0.081 3.898 3.960 0.031 0.000 0.219 72 G C 1.353 176.261 174.900 0.013 0.000 1.119 72 G CA 1.158 46.182 45.100 -0.126 0.000 0.766 72 G HN 0.514 nan 8.290 nan 0.000 0.552 73 I N -0.782 119.885 120.570 0.162 0.000 3.039 73 I HA 0.179 4.368 4.170 0.031 0.000 0.270 73 I C 2.182 178.366 176.117 0.111 0.000 1.150 73 I CA 0.244 61.646 61.300 0.170 0.000 1.448 73 I CB 0.137 38.216 38.000 0.132 0.000 1.197 73 I HN 0.034 nan 8.210 nan 0.000 0.450 74 L N 0.649 121.941 121.223 0.116 0.000 2.446 74 L HA 0.196 4.555 4.340 0.031 0.000 0.219 74 L C 1.461 178.362 176.870 0.052 0.000 1.116 74 L CA -0.173 54.729 54.840 0.103 0.000 0.844 74 L CB -0.495 41.646 42.059 0.138 0.000 0.970 74 L HN 0.167 nan 8.230 nan 0.000 0.457 75 G N 0.175 108.991 108.800 0.026 0.000 2.599 75 G HA2 0.186 4.165 3.960 0.031 0.000 0.264 75 G HA3 0.186 4.165 3.960 0.031 0.000 0.264 75 G C -1.686 173.199 174.900 -0.026 0.000 1.200 75 G CA -0.712 44.385 45.100 -0.005 0.000 0.896 75 G HN -0.045 nan 8.290 nan 0.000 0.536 76 P HA 0.037 nan 4.420 nan 0.000 0.229 76 P C 0.151 177.417 177.300 -0.057 0.000 1.160 76 P CA 0.887 63.958 63.100 -0.048 0.000 0.777 76 P CB 0.596 32.270 31.700 -0.044 0.000 0.814 77 E N 1.402 121.564 120.200 -0.063 0.000 2.916 77 E HA 0.283 4.651 4.350 0.031 0.000 0.217 77 E C -2.160 174.373 176.600 -0.112 0.000 1.100 77 E CA -1.703 54.649 56.400 -0.079 0.000 0.891 77 E CB 0.939 30.591 29.700 -0.079 0.000 1.311 77 E HN 0.385 nan 8.360 nan 0.000 0.421 78 P HA 0.246 nan 4.420 nan 0.000 0.274 78 P C 0.521 177.636 177.300 -0.309 0.000 1.237 78 P CA -0.430 62.573 63.100 -0.161 0.000 0.793 78 P CB 1.550 33.216 31.700 -0.057 0.000 0.977 79 R N -0.105 120.018 120.500 -0.629 0.000 2.193 79 R HA 0.069 4.428 4.340 0.031 0.000 0.213 79 R C 0.122 175.744 176.300 -1.129 0.000 1.055 79 R CA 1.000 56.417 56.100 -1.137 0.000 0.995 79 R CB 0.124 29.100 30.300 -2.207 0.000 0.893 79 R HN 0.578 nan 8.270 nan 0.000 0.459 80 W N -0.080 121.159 121.300 -0.102 0.000 2.998 80 W HA 0.244 4.923 4.660 0.031 0.000 0.335 80 W C -0.309 176.235 176.519 0.041 0.000 1.110 80 W CA -1.031 56.299 57.345 -0.025 0.000 1.230 80 W CB 0.997 30.429 29.460 -0.047 0.000 1.405 80 W HN -0.078 nan 8.180 nan 0.000 0.493 81 D N 0.945 121.536 120.400 0.319 0.000 2.327 81 D HA 0.072 4.730 4.640 0.031 0.000 0.205 81 D C 0.417 176.889 176.300 0.287 0.000 0.989 81 D CA 0.940 55.099 54.000 0.265 0.000 0.873 81 D CB 1.403 42.354 40.800 0.252 0.000 0.955 81 D HN -0.113 nan 8.370 nan 0.000 0.515 82 V N 1.245 121.351 119.914 0.320 0.000 2.709 82 V HA 0.319 4.458 4.120 0.031 0.000 0.308 82 V C -0.352 175.821 176.094 0.133 0.000 1.062 82 V CA -0.833 61.580 62.300 0.188 0.000 0.901 82 V CB 3.051 34.921 31.823 0.078 0.000 1.003 82 V HN -0.268 nan 8.190 nan 0.000 0.425 83 V N 5.087 125.045 119.914 0.074 0.000 2.376 83 V HA 0.490 4.629 4.120 0.031 0.000 0.287 83 V C -1.000 175.111 176.094 0.027 0.000 1.015 83 V CA -0.438 61.860 62.300 -0.004 0.000 0.834 83 V CB 1.467 33.268 31.823 -0.036 0.000 1.001 83 V HN 0.707 nan 8.190 nan 0.000 0.428 84 F N 6.354 126.197 119.950 -0.179 0.000 2.467 84 F HA 0.817 5.362 4.527 0.031 0.000 0.336 84 F C -0.734 174.942 175.800 -0.207 0.000 1.123 84 F CA -0.764 57.109 58.000 -0.211 0.000 0.964 84 F CB 1.769 40.607 39.000 -0.271 0.000 1.136 84 F HN 0.231 nan 8.300 nan 0.000 0.447 85 V N 5.177 124.561 119.914 -0.884 0.000 2.525 85 V HA 0.269 4.408 4.120 0.031 0.000 0.299 85 V C -1.374 174.229 176.094 -0.819 0.000 1.034 85 V CA -0.722 61.151 62.300 -0.713 0.000 0.863 85 V CB 1.707 33.330 31.823 -0.333 0.000 0.999 85 V HN 0.694 nan 8.190 nan 0.000 0.423 86 D N 4.584 124.557 120.400 -0.711 0.000 2.414 86 D HA 0.534 5.192 4.640 0.031 0.000 0.232 86 D C -0.534 175.754 176.300 -0.021 0.000 1.070 86 D CA -0.137 53.667 54.000 -0.326 0.000 0.839 86 D CB 1.018 41.653 40.800 -0.275 0.000 1.079 86 D HN 0.403 nan 8.370 nan 0.000 0.521 87 L N 3.362 124.618 121.223 0.054 0.000 2.357 87 L HA 0.350 4.709 4.340 0.031 0.000 0.273 87 L C 0.081 176.845 176.870 -0.177 0.000 1.080 87 L CA -1.112 53.749 54.840 0.035 0.000 0.803 87 L CB 0.679 42.833 42.059 0.159 0.000 1.174 87 L HN 0.386 nan 8.230 nan 0.000 0.443 88 Y N 2.613 122.735 120.300 -0.296 0.000 2.702 88 Y HA 0.001 4.570 4.550 0.030 0.000 0.336 88 Y C -1.538 174.154 175.900 -0.346 0.000 1.235 88 Y CA -1.010 56.691 58.100 -0.664 0.000 1.492 88 Y CB -0.309 37.957 38.460 -0.323 0.000 1.308 88 Y HN 0.375 nan 8.280 nan 0.000 0.589 89 P HA 0.085 nan 4.420 nan 0.000 0.273 89 P C -2.608 174.638 177.300 -0.090 0.000 1.250 89 P CA -1.386 61.663 63.100 -0.085 0.000 0.793 89 P CB -0.040 31.630 31.700 -0.050 0.000 1.011 90 P HA 0.052 nan 4.420 nan 0.000 0.266 90 P C -1.592 175.637 177.300 -0.118 0.000 1.193 90 P CA -0.500 62.497 63.100 -0.172 0.000 0.770 90 P CB -0.789 30.796 31.700 -0.191 0.000 0.836 91 P HA 0.092 nan 4.420 nan 0.000 0.262 91 P C -0.132 177.077 177.300 -0.152 0.000 1.304 91 P CA 0.198 63.199 63.100 -0.166 0.000 0.859 91 P CB 0.015 31.617 31.700 -0.162 0.000 1.310 92 D N 0.903 121.231 120.400 -0.120 0.000 2.506 92 D HA 0.012 4.671 4.640 0.031 0.000 0.234 92 D C -0.263 176.033 176.300 -0.006 0.000 1.143 92 D CA 0.421 54.373 54.000 -0.080 0.000 0.871 92 D CB 0.274 41.021 40.800 -0.089 0.000 1.190 92 D HN 0.040 nan 8.370 nan 0.000 0.459 93 I N 3.493 124.092 120.570 0.047 0.000 2.382 93 I HA 0.185 4.374 4.170 0.031 0.000 0.285 93 I C -0.159 176.059 176.117 0.168 0.000 1.007 93 I CA -0.700 60.691 61.300 0.151 0.000 1.142 93 I CB 1.461 39.539 38.000 0.131 0.000 1.289 93 I HN 0.406 nan 8.210 nan 0.000 0.453 94 D N 6.470 127.014 120.400 0.239 0.000 2.198 94 D HA 0.260 4.919 4.640 0.031 0.000 0.245 94 D C 0.430 176.757 176.300 0.046 0.000 1.079 94 D CA -0.377 53.695 54.000 0.120 0.000 0.854 94 D CB 1.858 42.709 40.800 0.086 0.000 1.148 94 D HN 0.301 nan 8.370 nan 0.000 0.456 95 I N 2.845 123.442 120.570 0.044 0.000 2.900 95 I HA 0.049 4.238 4.170 0.031 0.000 0.251 95 I C 2.360 178.497 176.117 0.033 0.000 1.102 95 I CA 0.564 61.881 61.300 0.027 0.000 1.457 95 I CB -1.342 36.677 38.000 0.032 0.000 1.285 95 I HN 0.545 nan 8.210 nan 0.000 0.459 96 G N 0.859 109.697 108.800 0.063 0.000 2.394 96 G HA2 -0.118 3.861 3.960 0.031 0.000 0.215 96 G HA3 -0.118 3.861 3.960 0.031 0.000 0.215 96 G C 1.679 176.641 174.900 0.102 0.000 1.165 96 G CA 0.833 46.006 45.100 0.122 0.000 0.784 96 G HN 0.461 nan 8.290 nan 0.000 0.535 97 G N 0.478 109.291 108.800 0.021 0.000 2.402 97 G HA2 -0.125 3.854 3.960 0.031 0.000 0.216 97 G HA3 -0.125 3.854 3.960 0.031 0.000 0.216 97 G C 1.773 176.636 174.900 -0.063 0.000 1.162 97 G CA 1.161 46.237 45.100 -0.040 0.000 0.777 97 G HN 0.296 nan 8.290 nan 0.000 0.539 98 V N 1.613 121.468 119.914 -0.098 0.000 2.343 98 V HA -0.153 3.986 4.120 0.031 0.000 0.247 98 V C 3.336 179.409 176.094 -0.036 0.000 1.051 98 V CA 2.049 64.262 62.300 -0.145 0.000 1.036 98 V CB -0.856 30.804 31.823 -0.271 0.000 0.654 98 V HN 0.473 nan 8.190 nan 0.000 0.451 99 A N -0.301 122.550 122.820 0.050 0.000 1.933 99 A HA -0.162 4.176 4.320 0.031 0.000 0.218 99 A C 2.219 180.005 177.584 0.337 0.000 1.175 99 A CA 1.779 53.917 52.037 0.167 0.000 0.628 99 A CB -0.530 18.552 19.000 0.136 0.000 0.814 99 A HN 0.506 nan 8.150 nan 0.000 0.444 100 L N -0.814 120.549 121.223 0.233 0.000 2.012 100 L HA -0.219 4.139 4.340 0.031 0.000 0.210 100 L C 2.642 179.507 176.870 -0.008 0.000 1.073 100 L CA 1.353 56.199 54.840 0.008 0.000 0.748 100 L CB -0.616 41.348 42.059 -0.159 0.000 0.891 100 L HN 0.383 nan 8.230 nan 0.000 0.431 101 L N -0.603 120.596 121.223 -0.040 0.000 2.042 101 L HA -0.231 4.128 4.340 0.031 0.000 0.210 101 L C 2.894 179.696 176.870 -0.114 0.000 1.076 101 L CA 1.418 56.212 54.840 -0.076 0.000 0.749 101 L CB -0.383 41.617 42.059 -0.098 0.000 0.893 101 L HN 0.228 nan 8.230 nan 0.000 0.432 102 R N -0.482 119.957 120.500 -0.101 0.000 2.092 102 R HA -0.107 4.252 4.340 0.031 0.000 0.231 102 R C 2.401 178.748 176.300 0.077 0.000 1.119 102 R CA 1.160 57.176 56.100 -0.140 0.000 0.970 102 R CB -0.487 29.840 30.300 0.045 0.000 0.864 102 R HN 0.347 nan 8.270 nan 0.000 0.440 103 A N 1.538 124.454 122.820 0.160 0.000 1.877 103 A HA -0.143 4.195 4.320 0.031 0.000 0.216 103 A C 2.412 180.095 177.584 0.165 0.000 1.186 103 A CA 1.772 53.941 52.037 0.220 0.000 0.620 103 A CB -0.738 18.459 19.000 0.329 0.000 0.822 103 A HN 0.391 nan 8.150 nan 0.000 0.443 104 A N -0.203 122.679 122.820 0.103 0.000 1.877 104 A HA 0.147 4.485 4.320 0.031 0.000 0.216 104 A C 2.525 180.198 177.584 0.148 0.000 1.186 104 A CA 2.226 54.326 52.037 0.105 0.000 0.620 104 A CB -1.069 17.969 19.000 0.064 0.000 0.822 104 A HN 1.098 nan 8.150 nan 0.000 0.443 105 A N -0.300 122.576 122.820 0.092 0.000 1.902 105 A HA -0.168 4.171 4.320 0.031 0.000 0.217 105 A C 2.118 179.955 177.584 0.421 0.000 1.181 105 A CA 2.013 54.147 52.037 0.162 0.000 0.623 105 A CB -0.489 18.389 19.000 -0.204 0.000 0.818 105 A HN 0.568 nan 8.150 nan 0.000 0.443 106 K N -0.491 120.154 120.400 0.410 0.000 2.074 106 K HA -0.204 4.135 4.320 0.031 0.000 0.209 106 K C 0.783 177.596 176.600 0.354 0.000 1.048 106 K CA 1.715 58.257 56.287 0.426 0.000 0.926 106 K CB -0.161 32.533 32.500 0.324 0.000 0.713 106 K HN 0.397 nan 8.250 nan 0.000 0.444 107 N N 1.137 119.976 118.700 0.233 0.000 2.575 107 N HA -0.005 4.754 4.740 0.031 0.000 0.275 107 N C 0.653 176.188 175.510 0.041 0.000 1.202 107 N CA -0.333 52.766 53.050 0.082 0.000 0.945 107 N CB -0.124 38.404 38.487 0.069 0.000 1.247 107 N HN 0.382 nan 8.380 nan 0.000 0.510 108 W N -0.150 121.218 121.300 0.112 0.000 2.364 108 W HA -0.081 4.600 4.660 0.035 0.000 0.281 108 W C 0.502 177.078 176.519 0.095 0.000 1.219 108 W CA 0.342 57.752 57.345 0.108 0.000 1.220 108 W CB -0.429 29.105 29.460 0.125 0.000 1.127 108 W HN 0.138 nan 8.180 nan 0.000 0.556 109 K N 0.537 120.468 120.400 -0.783 0.000 2.288 109 K HA -0.070 4.269 4.320 0.031 0.000 0.201 109 K C 1.892 178.358 176.600 -0.222 0.000 1.048 109 K CA 0.939 56.838 56.287 -0.646 0.000 0.956 109 K CB 0.043 32.026 32.500 -0.863 0.000 0.746 109 K HN -0.041 nan 8.250 nan 0.000 0.461 110 K N -0.093 120.222 120.400 -0.142 0.000 2.425 110 K HA 0.178 4.517 4.320 0.031 0.000 0.201 110 K C -0.020 176.602 176.600 0.038 0.000 1.128 110 K CA 0.274 56.534 56.287 -0.045 0.000 1.000 110 K CB 1.489 33.953 32.500 -0.059 0.000 0.961 110 K HN -0.137 nan 8.250 nan 0.000 0.555 111 V N 1.383 121.344 119.914 0.078 0.000 2.971 111 V HA 0.344 4.483 4.120 0.031 0.000 0.309 111 V C -0.994 175.197 176.094 0.161 0.000 1.130 111 V CA -1.102 61.276 62.300 0.130 0.000 0.964 111 V CB 2.644 34.547 31.823 0.133 0.000 1.029 111 V HN -0.065 nan 8.190 nan 0.000 0.427 112 K N 4.497 124.994 120.400 0.161 0.000 2.425 112 K HA 0.509 4.848 4.320 0.031 0.000 0.259 112 K C -2.798 173.869 176.600 0.112 0.000 0.978 112 K CA -1.620 54.759 56.287 0.153 0.000 0.883 112 K CB 2.255 34.844 32.500 0.148 0.000 1.110 112 K HN 0.408 nan 8.250 nan 0.000 0.436 113 P HA 0.279 nan 4.420 nan 0.000 0.281 113 P C -1.291 176.039 177.300 0.050 0.000 1.249 113 P CA -0.537 62.603 63.100 0.067 0.000 0.810 113 P CB 1.519 33.249 31.700 0.050 0.000 1.008 114 A N 1.811 124.661 122.820 0.050 0.000 2.549 114 A HA 0.674 5.013 4.320 0.031 0.000 0.297 114 A C -0.708 176.892 177.584 0.026 0.000 1.061 114 A CA -0.578 51.445 52.037 -0.023 0.000 0.690 114 A CB 0.595 19.604 19.000 0.015 0.000 1.287 114 A HN 0.530 nan 8.150 nan 0.000 0.402 115 F N -0.416 119.470 119.950 -0.107 0.000 2.915 115 F HA 0.462 5.008 4.527 0.032 0.000 0.347 115 F C -0.182 175.492 175.800 -0.209 0.000 1.104 115 F CA -0.127 57.639 58.000 -0.391 0.000 1.126 115 F CB 0.352 38.838 39.000 -0.856 0.000 1.145 115 F HN 0.484 nan 8.300 nan 0.000 0.541 116 D N -1.159 119.114 120.400 -0.213 0.000 2.768 116 D HA 0.206 4.864 4.640 0.031 0.000 0.327 116 D C 0.725 177.049 176.300 0.040 0.000 1.302 116 D CA -0.627 53.403 54.000 0.051 0.000 0.897 116 D CB 0.241 41.035 40.800 -0.011 0.000 1.420 116 D HN -0.159 nan 8.370 nan 0.000 0.494 117 M N 0.107 119.775 119.600 0.113 0.000 2.175 117 M HA -0.066 4.433 4.480 0.031 0.000 0.264 117 M C 1.812 178.065 176.300 -0.078 0.000 1.063 117 M CA 1.900 57.225 55.300 0.042 0.000 1.119 117 M CB -0.977 31.658 32.600 0.059 0.000 1.377 117 M HN 0.764 nan 8.290 nan 0.000 0.415 118 E N -0.309 119.840 120.200 -0.084 0.000 2.072 118 E HA -0.138 4.231 4.350 0.031 0.000 0.190 118 E C 1.641 178.166 176.600 -0.125 0.000 0.982 118 E CA 1.880 58.231 56.400 -0.081 0.000 0.803 118 E CB -0.549 29.131 29.700 -0.032 0.000 0.755 118 E HN 0.498 nan 8.360 nan 0.000 0.453 119 T N -0.186 114.219 114.554 -0.248 0.000 2.904 119 T HA -0.091 4.278 4.350 0.031 0.000 0.267 119 T C 1.903 176.468 174.700 -0.224 0.000 1.059 119 T CA 0.848 62.779 62.100 -0.282 0.000 1.137 119 T CB -0.257 68.220 68.868 -0.652 0.000 0.879 119 T HN 0.136 nan 8.240 nan 0.000 0.467 120 L N 2.063 123.126 121.223 -0.267 0.000 2.046 120 L HA 0.117 4.476 4.340 0.031 0.000 0.208 120 L C 2.952 179.661 176.870 -0.267 0.000 1.077 120 L CA 2.508 57.143 54.840 -0.342 0.000 0.747 120 L CB -1.233 40.453 42.059 -0.621 0.000 0.896 120 L HN 0.374 nan 8.230 nan 0.000 0.432 121 K N -0.307 119.975 120.400 -0.197 0.000 2.057 121 K HA -0.116 4.223 4.320 0.031 0.000 0.207 121 K C 2.090 178.640 176.600 -0.083 0.000 1.049 121 K CA 2.019 58.224 56.287 -0.136 0.000 0.931 121 K CB -1.416 31.027 32.500 -0.094 0.000 0.714 121 K HN 0.530 nan 8.250 nan 0.000 0.440 122 L N -0.099 121.090 121.223 -0.056 0.000 2.017 122 L HA -0.141 4.218 4.340 0.031 0.000 0.208 122 L C 3.140 180.017 176.870 0.012 0.000 1.073 122 L CA 1.285 56.124 54.840 -0.002 0.000 0.745 122 L CB -0.460 41.626 42.059 0.044 0.000 0.894 122 L HN 0.489 nan 8.230 nan 0.000 0.432 123 A N -0.158 122.650 122.820 -0.021 0.000 1.978 123 A HA -0.200 4.138 4.320 0.031 0.000 0.220 123 A C 2.123 179.719 177.584 0.021 0.000 1.170 123 A CA 1.427 53.468 52.037 0.007 0.000 0.636 123 A CB -0.510 18.467 19.000 -0.038 0.000 0.810 123 A HN 0.328 nan 8.150 nan 0.000 0.448 124 I N -0.171 120.358 120.570 -0.067 0.000 2.353 124 I HA -0.113 4.076 4.170 0.031 0.000 0.248 124 I C 2.224 178.459 176.117 0.197 0.000 1.119 124 I CA 1.204 62.487 61.300 -0.028 0.000 1.417 124 I CB -1.098 36.756 38.000 -0.243 0.000 1.078 124 I HN 0.385 nan 8.210 nan 0.000 0.421 125 E N 0.441 120.701 120.200 0.101 0.000 2.102 125 E HA 0.150 4.518 4.350 0.031 0.000 0.190 125 E C 1.113 177.775 176.600 0.104 0.000 0.971 125 E CA 0.403 56.865 56.400 0.104 0.000 0.821 125 E CB 0.497 30.228 29.700 0.051 0.000 0.777 125 E HN 0.330 nan 8.360 nan 0.000 0.460 126 I N 0.936 121.563 120.570 0.095 0.000 2.577 126 I HA 0.130 4.319 4.170 0.031 0.000 0.300 126 I C 0.264 176.448 176.117 0.111 0.000 0.990 126 I CA 0.078 61.432 61.300 0.089 0.000 1.283 126 I CB 1.159 39.206 38.000 0.077 0.000 1.411 126 I HN -0.111 nan 8.210 nan 0.000 0.515 127 D N 0.414 120.873 120.400 0.099 0.000 2.516 127 D HA -0.008 4.651 4.640 0.031 0.000 0.241 127 D C -0.171 176.195 176.300 0.110 0.000 1.246 127 D CA -0.195 53.869 54.000 0.107 0.000 0.808 127 D CB 0.590 41.443 40.800 0.087 0.000 1.147 127 D HN 0.620 nan 8.370 nan 0.000 0.527 128 D N 0.466 120.929 120.400 0.105 0.000 2.339 128 D HA -0.037 4.622 4.640 0.031 0.000 0.245 128 D C 1.012 177.407 176.300 0.159 0.000 1.115 128 D CA -0.205 53.860 54.000 0.109 0.000 0.917 128 D CB 1.797 42.646 40.800 0.081 0.000 1.192 128 D HN 0.128 nan 8.370 nan 0.000 0.428 129 E N 1.004 121.311 120.200 0.178 0.000 2.058 129 E HA -0.299 4.070 4.350 0.031 0.000 0.194 129 E C 1.735 178.480 176.600 0.241 0.000 0.997 129 E CA 1.364 57.935 56.400 0.285 0.000 0.801 129 E CB 0.036 29.900 29.700 0.274 0.000 0.746 129 E HN 0.676 nan 8.360 nan 0.000 0.450 130 E N -0.797 119.491 120.200 0.146 0.000 2.085 130 E HA -0.176 4.193 4.350 0.031 0.000 0.194 130 E C 1.783 178.450 176.600 0.112 0.000 0.994 130 E CA 1.821 58.278 56.400 0.096 0.000 0.801 130 E CB 0.046 29.782 29.700 0.060 0.000 0.743 130 E HN 0.279 nan 8.360 nan 0.000 0.453 131 T N 0.185 114.814 114.554 0.125 0.000 2.942 131 T HA -0.020 4.348 4.350 0.031 0.000 0.265 131 T C 1.727 176.566 174.700 0.231 0.000 1.062 131 T CA 0.679 62.871 62.100 0.153 0.000 1.139 131 T CB -0.111 68.817 68.868 0.100 0.000 0.883 131 T HN 0.158 nan 8.240 nan 0.000 0.468 132 R N 1.255 121.902 120.500 0.246 0.000 2.091 132 R HA -0.043 4.316 4.340 0.031 0.000 0.238 132 R C 2.489 178.936 176.300 0.247 0.000 1.136 132 R CA 1.280 57.575 56.100 0.325 0.000 0.959 132 R CB -0.150 30.449 30.300 0.499 0.000 0.856 132 R HN 0.350 nan 8.270 nan 0.000 0.437 133 K N -0.448 119.979 120.400 0.045 0.000 2.097 133 K HA -0.188 4.150 4.320 0.031 0.000 0.205 133 K C 1.965 178.537 176.600 -0.047 0.000 1.050 133 K CA 1.307 57.420 56.287 -0.290 0.000 0.938 133 K CB -0.202 32.044 32.500 -0.423 0.000 0.718 133 K HN 0.208 nan 8.250 nan 0.000 0.442 134 Y N 1.636 121.919 120.300 -0.029 0.000 2.181 134 Y HA -0.178 4.390 4.550 0.030 0.000 0.288 134 Y C 1.745 177.683 175.900 0.063 0.000 1.146 134 Y CA 1.276 59.388 58.100 0.021 0.000 1.164 134 Y CB -0.178 38.301 38.460 0.032 0.000 0.982 134 Y HN -0.079 nan 8.280 nan 0.000 0.515 135 L N -0.218 121.059 121.223 0.090 0.000 2.093 135 L HA -0.190 4.169 4.340 0.031 0.000 0.208 135 L C 2.789 179.672 176.870 0.022 0.000 1.085 135 L CA 1.072 55.926 54.840 0.024 0.000 0.755 135 L CB -0.872 41.265 42.059 0.130 0.000 0.904 135 L HN 0.372 nan 8.230 nan 0.000 0.435 136 A N 0.228 123.083 122.820 0.058 0.000 1.877 136 A HA -0.115 4.223 4.320 0.031 0.000 0.216 136 A C 2.411 180.066 177.584 0.118 0.000 1.186 136 A CA 1.674 53.767 52.037 0.093 0.000 0.620 136 A CB -1.310 17.748 19.000 0.097 0.000 0.822 136 A HN 0.422 nan 8.150 nan 0.000 0.443 137 G N -0.670 108.152 108.800 0.037 0.000 2.446 137 G HA2 -0.259 3.720 3.960 0.031 0.000 0.217 137 G HA3 -0.259 3.720 3.960 0.031 0.000 0.217 137 G C 1.553 176.471 174.900 0.030 0.000 1.168 137 G CA 1.355 46.487 45.100 0.052 0.000 0.771 137 G HN 0.345 nan 8.290 nan 0.000 0.551 138 M N 0.630 120.167 119.600 -0.105 0.000 2.149 138 M HA -0.077 4.422 4.480 0.031 0.000 0.261 138 M C 2.669 179.022 176.300 0.089 0.000 1.064 138 M CA 1.549 56.837 55.300 -0.021 0.000 1.102 138 M CB -1.484 31.052 32.600 -0.106 0.000 1.369 138 M HN 0.177 nan 8.290 nan 0.000 0.408 139 T N 0.366 114.953 114.554 0.055 0.000 2.737 139 T HA -0.088 4.281 4.350 0.031 0.000 0.265 139 T C 1.536 176.117 174.700 -0.198 0.000 1.038 139 T CA 1.215 63.236 62.100 -0.131 0.000 1.144 139 T CB -0.260 68.501 68.868 -0.179 0.000 0.866 139 T HN 0.156 nan 8.240 nan 0.000 0.434 140 F N 1.521 121.479 119.950 0.012 0.000 2.259 140 F HA 0.158 4.702 4.527 0.029 0.000 0.298 140 F C 2.543 178.339 175.800 -0.008 0.000 1.088 140 F CA 0.419 58.419 58.000 0.002 0.000 1.358 140 F CB -0.829 38.174 39.000 0.004 0.000 1.040 140 F HN 0.113 nan 8.300 nan 0.000 0.505 141 A N -0.233 122.685 122.820 0.163 0.000 1.902 141 A HA -0.238 4.100 4.320 0.031 0.000 0.217 141 A C 2.116 179.733 177.584 0.055 0.000 1.181 141 A CA 1.551 53.654 52.037 0.110 0.000 0.623 141 A CB -1.360 17.713 19.000 0.122 0.000 0.818 141 A HN 0.395 nan 8.150 nan 0.000 0.443 142 F N 1.859 121.680 119.950 -0.215 0.000 2.113 142 F HA -0.180 4.366 4.527 0.032 0.000 0.297 142 F C 2.732 178.412 175.800 -0.200 0.000 1.103 142 F CA 2.477 60.262 58.000 -0.359 0.000 1.248 142 F CB -0.586 37.793 39.000 -1.036 0.000 0.999 142 F HN 0.332 nan 8.300 nan 0.000 0.475 143 T N -2.930 111.524 114.554 -0.166 0.000 2.904 143 T HA -0.150 4.219 4.350 0.031 0.000 0.267 143 T C 2.274 176.934 174.700 -0.067 0.000 1.059 143 T CA 1.227 63.223 62.100 -0.173 0.000 1.137 143 T CB -0.922 67.891 68.868 -0.091 0.000 0.879 143 T HN 0.311 nan 8.240 nan 0.000 0.467 144 S N 0.581 116.273 115.700 -0.012 0.000 2.359 144 S HA -0.107 4.382 4.470 0.031 0.000 0.224 144 S C 2.065 176.630 174.600 -0.058 0.000 1.035 144 S CA 1.457 59.653 58.200 -0.007 0.000 1.018 144 S CB -0.758 62.453 63.200 0.019 0.000 0.876 144 S HN 0.419 nan 8.310 nan 0.000 0.448 145 V N 0.788 120.641 119.914 -0.103 0.000 2.358 145 V HA -0.105 4.033 4.120 0.031 0.000 0.246 145 V C 2.044 178.029 176.094 -0.181 0.000 1.047 145 V CA 2.038 64.250 62.300 -0.147 0.000 1.035 145 V CB -0.955 30.782 31.823 -0.142 0.000 0.658 145 V HN 0.686 nan 8.190 nan 0.000 0.452 146 Y N 1.610 121.676 120.300 -0.390 0.000 2.081 146 Y HA -0.296 4.273 4.550 0.030 0.000 0.280 146 Y C 2.320 178.095 175.900 -0.209 0.000 1.163 146 Y CA 2.300 60.175 58.100 -0.375 0.000 1.135 146 Y CB -0.331 37.829 38.460 -0.501 0.000 0.970 146 Y HN 0.314 nan 8.280 nan 0.000 0.498 147 D N -0.960 119.502 120.400 0.104 0.000 2.183 147 D HA -0.135 4.523 4.640 0.031 0.000 0.203 147 D C 2.494 178.780 176.300 -0.022 0.000 0.969 147 D CA 1.367 55.415 54.000 0.079 0.000 0.842 147 D CB -0.428 40.423 40.800 0.086 0.000 0.957 147 D HN 0.492 nan 8.370 nan 0.000 0.484 148 S N 0.301 115.959 115.700 -0.070 0.000 2.356 148 S HA -0.144 4.345 4.470 0.031 0.000 0.223 148 S C 2.208 176.736 174.600 -0.121 0.000 1.032 148 S CA 0.652 58.794 58.200 -0.098 0.000 1.005 148 S CB -0.660 62.459 63.200 -0.135 0.000 0.867 148 S HN 0.252 nan 8.310 nan 0.000 0.449 149 I N 1.561 122.027 120.570 -0.174 0.000 2.163 149 I HA -0.207 3.981 4.170 0.031 0.000 0.243 149 I C 3.030 179.036 176.117 -0.185 0.000 1.085 149 I CA 1.365 62.543 61.300 -0.202 0.000 1.347 149 I CB -0.359 37.473 38.000 -0.280 0.000 1.044 149 I HN 0.230 nan 8.210 nan 0.000 0.408 150 R N 1.010 121.399 120.500 -0.185 0.000 2.081 150 R HA -0.079 4.280 4.340 0.031 0.000 0.235 150 R C 2.347 178.670 176.300 0.039 0.000 1.131 150 R CA 1.556 57.591 56.100 -0.108 0.000 0.960 150 R CB -1.380 28.910 30.300 -0.016 0.000 0.856 150 R HN 0.403 nan 8.270 nan 0.000 0.436 151 A N 2.123 124.988 122.820 0.076 0.000 1.892 151 A HA -0.202 4.137 4.320 0.031 0.000 0.218 151 A C 1.830 179.469 177.584 0.092 0.000 1.188 151 A CA 1.826 53.945 52.037 0.136 0.000 0.631 151 A CB -0.537 18.490 19.000 0.045 0.000 0.822 151 A HN 0.304 nan 8.150 nan 0.000 0.447 152 N N -0.145 118.549 118.700 -0.010 0.000 2.364 152 N HA -0.135 4.624 4.740 0.031 0.000 0.183 152 N C 1.730 177.199 175.510 -0.068 0.000 1.022 152 N CA 1.232 54.260 53.050 -0.036 0.000 0.883 152 N CB -0.397 38.050 38.487 -0.068 0.000 0.965 152 N HN 0.693 nan 8.380 nan 0.000 0.438 153 Q N -0.874 118.839 119.800 -0.144 0.000 2.224 153 Q HA -0.025 4.333 4.340 0.031 0.000 0.203 153 Q C 1.108 176.906 176.000 -0.336 0.000 0.970 153 Q CA 0.975 56.609 55.803 -0.281 0.000 0.865 153 Q CB -0.040 28.431 28.738 -0.444 0.000 0.922 153 Q HN 0.344 nan 8.270 nan 0.000 0.445 154 F N -0.675 119.248 119.950 -0.046 0.000 2.220 154 F HA 0.033 4.578 4.527 0.029 0.000 0.290 154 F C 0.753 176.536 175.800 -0.029 0.000 1.080 154 F CA 0.324 58.303 58.000 -0.035 0.000 1.318 154 F CB 0.570 39.550 39.000 -0.034 0.000 1.063 154 F HN -0.286 nan 8.300 nan 0.000 0.498 155 V N 0.791 120.797 119.914 0.152 0.000 2.419 155 V HA 0.142 4.281 4.120 0.031 0.000 0.287 155 V C -0.271 175.842 176.094 0.033 0.000 1.017 155 V CA -1.359 60.986 62.300 0.074 0.000 0.844 155 V CB 1.215 33.075 31.823 0.062 0.000 1.011 155 V HN 0.104 nan 8.190 nan 0.000 0.429 156 E N 3.562 123.771 120.200 0.016 0.000 2.529 156 E HA 0.219 4.587 4.350 0.031 0.000 0.259 156 E C 1.318 177.920 176.600 0.004 0.000 0.966 156 E CA 1.186 57.589 56.400 0.004 0.000 0.937 156 E CB 0.450 30.156 29.700 0.011 0.000 0.923 156 E HN 1.147 nan 8.360 nan 0.000 0.468 157 G N 4.405 113.198 108.800 -0.012 0.000 2.155 157 G HA2 -0.310 3.669 3.960 0.031 0.000 0.257 157 G HA3 -0.310 3.669 3.960 0.031 0.000 0.257 157 G C 0.651 175.531 174.900 -0.034 0.000 0.983 157 G CA 0.374 45.458 45.100 -0.026 0.000 0.676 157 G HN 0.698 nan 8.290 nan 0.000 0.528 158 I N -0.054 120.502 120.570 -0.024 0.000 2.676 158 I HA 0.209 4.398 4.170 0.031 0.000 0.259 158 I C 1.198 177.290 176.117 -0.041 0.000 1.194 158 I CA 1.552 62.838 61.300 -0.022 0.000 1.473 158 I CB 0.107 38.105 38.000 -0.003 0.000 1.096 158 I HN 0.314 nan 8.210 nan 0.000 0.443 159 S N -0.061 115.603 115.700 -0.061 0.000 2.549 159 S HA 0.572 5.060 4.470 0.031 0.000 0.280 159 S C -1.075 173.448 174.600 -0.127 0.000 1.109 159 S CA -0.736 57.414 58.200 -0.082 0.000 0.905 159 S CB 1.720 64.877 63.200 -0.071 0.000 1.081 159 S HN 0.184 nan 8.310 nan 0.000 0.477 160 L N 3.659 124.795 121.223 -0.145 0.000 2.410 160 L HA 0.949 5.308 4.340 0.031 0.000 0.270 160 L C -1.019 175.715 176.870 -0.226 0.000 0.983 160 L CA -0.209 54.501 54.840 -0.217 0.000 0.822 160 L CB 1.703 43.657 42.059 -0.175 0.000 1.285 160 L HN 0.919 nan 8.230 nan 0.000 0.409 161 A N 3.764 126.359 122.820 -0.374 0.000 2.566 161 A HA 0.820 5.159 4.320 0.031 0.000 0.297 161 A C -1.952 175.371 177.584 -0.436 0.000 1.059 161 A CA -0.324 51.546 52.037 -0.279 0.000 0.691 161 A CB 1.154 20.052 19.000 -0.171 0.000 1.282 161 A HN 0.541 nan 8.150 nan 0.000 0.401 162 F N 0.790 120.723 119.950 -0.027 0.000 2.626 162 F HA 0.607 5.154 4.527 0.034 0.000 0.311 162 F C 0.183 176.068 175.800 0.142 0.000 1.088 162 F CA -0.594 57.444 58.000 0.063 0.000 0.949 162 F CB 2.277 41.349 39.000 0.119 0.000 1.322 162 F HN 0.498 nan 8.300 nan 0.000 0.461 163 K N 1.939 122.589 120.400 0.416 0.000 2.164 163 K HA 0.414 4.753 4.320 0.031 0.000 0.258 163 K C -0.405 176.410 176.600 0.359 0.000 0.951 163 K CA -0.740 55.756 56.287 0.347 0.000 0.844 163 K CB 1.690 34.333 32.500 0.238 0.000 1.099 163 K HN 0.781 nan 8.250 nan 0.000 0.435 164 R N 2.455 123.122 120.500 0.278 0.000 2.570 164 R HA -0.037 4.321 4.340 0.031 0.000 0.277 164 R C -0.667 175.633 176.300 -0.000 0.000 1.039 164 R CA 0.220 56.292 56.100 -0.046 0.000 1.065 164 R CB 0.480 30.726 30.300 -0.089 0.000 0.964 164 R HN 0.446 nan 8.270 nan 0.000 0.428 165 E N 1.860 122.014 120.200 -0.076 0.000 2.191 165 E HA 0.123 4.492 4.350 0.031 0.000 0.274 165 E C -1.322 175.246 176.600 -0.054 0.000 0.948 165 E CA -0.551 55.831 56.400 -0.030 0.000 0.802 165 E CB 1.527 31.205 29.700 -0.036 0.000 1.137 165 E HN 0.374 nan 8.360 nan 0.000 0.397 166 D N 3.104 123.494 120.400 -0.018 0.000 2.380 166 D HA 0.127 4.785 4.640 0.031 0.000 0.230 166 D C -0.182 176.101 176.300 -0.028 0.000 1.154 166 D CA -0.263 53.720 54.000 -0.029 0.000 0.859 166 D CB 0.569 41.365 40.800 -0.008 0.000 1.045 166 D HN 0.190 nan 8.370 nan 0.000 0.495 167 L N 2.816 124.017 121.223 -0.037 0.000 2.640 167 L HA 0.194 4.553 4.340 0.031 0.000 0.230 167 L C 0.944 177.797 176.870 -0.028 0.000 1.123 167 L CA 0.304 55.134 54.840 -0.016 0.000 0.900 167 L CB -0.703 41.360 42.059 0.006 0.000 1.146 167 L HN 0.537 nan 8.230 nan 0.000 0.484 168 Q N -0.095 119.678 119.800 -0.046 0.000 2.468 168 Q HA -0.219 4.140 4.340 0.031 0.000 0.289 168 Q C -0.266 175.693 176.000 -0.069 0.000 1.299 168 Q CA 0.282 56.052 55.803 -0.055 0.000 0.838 168 Q CB -1.940 26.772 28.738 -0.043 0.000 1.195 168 Q HN 0.387 nan 8.270 nan 0.000 0.456 169 L N 0.164 121.338 121.223 -0.081 0.000 2.453 169 L HA 0.070 4.429 4.340 0.031 0.000 0.272 169 L C 1.854 178.637 176.870 -0.144 0.000 1.182 169 L CA 0.202 54.975 54.840 -0.112 0.000 0.858 169 L CB 0.290 42.302 42.059 -0.078 0.000 1.120 169 L HN 0.219 nan 8.230 nan 0.000 0.474 170 R N 2.366 122.737 120.500 -0.214 0.000 2.148 170 R HA -0.012 4.347 4.340 0.031 0.000 0.223 170 R C -0.656 175.623 176.300 -0.036 0.000 1.088 170 R CA 0.946 56.961 56.100 -0.142 0.000 0.985 170 R CB 0.204 30.425 30.300 -0.131 0.000 0.880 170 R HN 0.683 nan 8.270 nan 0.000 0.451 171 Y N -5.277 114.982 120.300 -0.069 0.000 2.895 171 Y HA 0.501 5.068 4.550 0.028 0.000 0.339 171 Y C 0.163 175.970 175.900 -0.156 0.000 1.363 171 Y CA -1.074 56.954 58.100 -0.120 0.000 1.085 171 Y CB 0.079 38.477 38.460 -0.104 0.000 1.500 171 Y HN -0.141 nan 8.280 nan 0.000 0.442 172 G N -0.049 108.732 108.800 -0.032 0.000 3.286 172 G HA2 0.185 4.164 3.960 0.031 0.000 0.173 172 G HA3 0.185 4.164 3.960 0.031 0.000 0.173 172 G C 0.461 175.085 174.900 -0.459 0.000 1.704 172 G CA 0.328 45.139 45.100 -0.482 0.000 1.041 172 G HN 0.863 nan 8.290 nan 0.000 0.561 173 E N -0.315 119.459 120.200 -0.709 0.000 2.106 173 E HA -0.037 4.332 4.350 0.031 0.000 0.192 173 E C 0.155 176.768 176.600 0.021 0.000 0.984 173 E CA 0.592 56.847 56.400 -0.243 0.000 0.806 173 E CB 0.075 29.678 29.700 -0.162 0.000 0.750 173 E HN 0.321 nan 8.360 nan 0.000 0.458 174 N N -1.025 117.618 118.700 -0.094 0.000 2.312 174 N HA 0.156 4.915 4.740 0.031 0.000 0.296 174 N C -2.337 172.935 175.510 -0.396 0.000 1.193 174 N CA -1.491 51.474 53.050 -0.142 0.000 0.773 174 N CB 1.638 40.087 38.487 -0.062 0.000 1.435 174 N HN -0.197 nan 8.380 nan 0.000 0.484 175 P HA -0.145 nan 4.420 nan 0.000 0.219 175 P C 0.913 178.017 177.300 -0.326 0.000 1.146 175 P CA 1.399 63.937 63.100 -0.937 0.000 0.808 175 P CB -0.079 31.230 31.700 -0.651 0.000 0.779 176 H N -1.603 117.336 119.070 -0.219 0.000 2.547 176 H HA 0.239 4.816 4.556 0.035 0.000 0.266 176 H C -0.103 175.185 175.328 -0.066 0.000 0.988 176 H CA 0.185 56.167 56.048 -0.111 0.000 1.147 176 H CB -0.297 29.414 29.762 -0.085 0.000 1.365 176 H HN 0.166 nan 8.280 nan 0.000 0.589 177 E N 1.679 121.612 120.200 -0.445 0.000 2.171 177 E HA 0.310 4.679 4.350 0.031 0.000 0.271 177 E C -0.544 175.966 176.600 -0.150 0.000 0.916 177 E CA -0.836 55.372 56.400 -0.319 0.000 0.774 177 E CB 2.139 31.578 29.700 -0.436 0.000 1.128 177 E HN 0.226 nan 8.360 nan 0.000 0.403 178 K N 1.220 121.568 120.400 -0.088 0.000 2.237 178 K HA 0.480 4.819 4.320 0.031 0.000 0.270 178 K C -0.464 176.022 176.600 -0.190 0.000 1.015 178 K CA -0.370 55.833 56.287 -0.139 0.000 0.949 178 K CB 1.043 33.468 32.500 -0.126 0.000 0.976 178 K HN 0.444 nan 8.250 nan 0.000 0.472 179 A N 2.505 125.124 122.820 -0.335 0.000 2.340 179 A HA 0.724 5.063 4.320 0.031 0.000 0.331 179 A C -1.217 176.058 177.584 -0.515 0.000 1.140 179 A CA -0.651 51.247 52.037 -0.231 0.000 0.801 179 A CB 0.356 19.305 19.000 -0.086 0.000 1.234 179 A HN 0.562 nan 8.150 nan 0.000 0.469 180 F N 1.260 121.215 119.950 0.009 0.000 2.579 180 F HA 0.459 5.001 4.527 0.025 0.000 0.325 180 F C -0.259 175.431 175.800 -0.182 0.000 1.162 180 F CA -0.632 57.294 58.000 -0.122 0.000 0.946 180 F CB 2.271 41.259 39.000 -0.019 0.000 1.211 180 F HN 0.279 nan 8.300 nan 0.000 0.447 181 V N 3.872 123.671 119.914 -0.192 0.000 2.398 181 V HA 0.367 4.506 4.120 0.031 0.000 0.286 181 V C -0.987 174.853 176.094 -0.423 0.000 1.026 181 V CA -0.921 61.263 62.300 -0.193 0.000 0.868 181 V CB 1.165 32.918 31.823 -0.116 0.000 0.982 181 V HN 0.515 nan 8.190 nan 0.000 0.443 182 Y N 2.307 122.528 120.300 -0.132 0.000 2.341 182 Y HA 0.706 5.269 4.550 0.022 0.000 0.338 182 Y C 0.709 176.395 175.900 -0.357 0.000 0.965 182 Y CA 0.099 58.075 58.100 -0.206 0.000 1.108 182 Y CB 1.890 40.159 38.460 -0.318 0.000 1.180 182 Y HN 0.991 nan 8.280 nan 0.000 0.458 183 G N 2.692 111.568 108.800 0.127 0.000 2.722 183 G HA2 -0.222 3.757 3.960 0.031 0.000 0.686 183 G HA3 -0.222 3.757 3.960 0.031 0.000 0.686 183 G C -0.892 174.034 174.900 0.044 0.000 1.282 183 G CA -0.981 44.255 45.100 0.228 0.000 0.817 183 G HN 0.697 nan 8.290 nan 0.000 0.605 184 K N 2.337 122.771 120.400 0.057 0.000 2.339 184 K HA 0.441 4.780 4.320 0.031 0.000 0.286 184 K C -1.244 175.269 176.600 -0.145 0.000 1.050 184 K CA -1.065 55.194 56.287 -0.047 0.000 0.956 184 K CB 0.523 33.015 32.500 -0.013 0.000 0.990 184 K HN 0.462 nan 8.250 nan 0.000 0.475 185 P HA 0.068 nan 4.420 nan 0.000 0.275 185 P C -1.113 175.841 177.300 -0.576 0.000 1.228 185 P CA -0.423 62.327 63.100 -0.582 0.000 0.786 185 P CB 1.304 32.329 31.700 -1.125 0.000 0.927 186 A N 3.581 126.130 122.820 -0.452 0.000 3.118 186 A HA 0.489 4.828 4.320 0.031 0.000 0.256 186 A C -0.253 177.237 177.584 -0.155 0.000 1.667 186 A CA -0.342 51.567 52.037 -0.213 0.000 1.338 186 A CB -1.601 17.394 19.000 -0.007 0.000 1.127 186 A HN 0.487 nan 8.150 nan 0.000 0.634 187 F N -2.435 117.460 119.950 -0.091 0.000 2.686 187 F HA 0.720 5.264 4.527 0.028 0.000 0.311 187 F C -0.820 174.935 175.800 -0.076 0.000 1.128 187 F CA -1.930 56.008 58.000 -0.103 0.000 0.946 187 F CB 0.823 39.729 39.000 -0.158 0.000 1.336 187 F HN 0.129 nan 8.300 nan 0.000 0.457 188 E N 1.902 122.267 120.200 0.276 0.000 2.183 188 E HA 0.589 4.958 4.350 0.031 0.000 0.271 188 E C -1.029 175.613 176.600 0.069 0.000 0.919 188 E CA -0.799 55.694 56.400 0.156 0.000 0.781 188 E CB 2.730 32.463 29.700 0.056 0.000 1.140 188 E HN 0.548 nan 8.360 nan 0.000 0.402 189 I N 4.072 124.655 120.570 0.021 0.000 2.315 189 I HA 0.099 4.287 4.170 0.031 0.000 0.291 189 I C 0.772 176.772 176.117 -0.194 0.000 1.006 189 I CA -0.110 61.113 61.300 -0.127 0.000 1.265 189 I CB 0.616 38.533 38.000 -0.138 0.000 1.387 189 I HN 0.504 nan 8.210 nan 0.000 0.475 190 L N 4.993 126.081 121.223 -0.225 0.000 2.638 190 L HA 0.128 4.487 4.340 0.031 0.000 0.232 190 L C 1.017 177.754 176.870 -0.222 0.000 1.099 190 L CA -0.193 54.499 54.840 -0.246 0.000 0.883 190 L CB -0.391 41.450 42.059 -0.363 0.000 1.136 190 L HN 0.678 nan 8.230 nan 0.000 0.492 191 H N 0.255 119.194 119.070 -0.219 0.000 2.547 191 H HA 0.239 4.813 4.556 0.030 0.000 0.362 191 H C -0.493 174.770 175.328 -0.109 0.000 1.181 191 H CA -0.723 55.228 56.048 -0.163 0.000 1.376 191 H CB 0.927 30.598 29.762 -0.151 0.000 1.488 191 H HN -0.110 nan 8.280 nan 0.000 0.583 192 E N 0.433 120.610 120.200 -0.039 0.000 2.417 192 E HA 0.186 4.554 4.350 0.031 0.000 0.261 192 E C 1.163 177.706 176.600 -0.094 0.000 1.000 192 E CA 1.406 57.763 56.400 -0.072 0.000 0.919 192 E CB -0.366 29.326 29.700 -0.014 0.000 0.955 192 E HN 0.926 nan 8.360 nan 0.000 0.455 193 G N 4.623 113.339 108.800 -0.139 0.000 2.320 193 G HA2 -0.425 3.554 3.960 0.031 0.000 0.242 193 G HA3 -0.425 3.554 3.960 0.031 0.000 0.242 193 G C 0.535 175.328 174.900 -0.178 0.000 1.033 193 G CA 0.329 45.363 45.100 -0.110 0.000 0.620 193 G HN 0.678 nan 8.290 nan 0.000 0.517 194 K N -0.157 119.982 120.400 -0.436 0.000 3.209 194 K HA -0.178 4.161 4.320 0.031 0.000 0.289 194 K C 0.373 176.877 176.600 -0.161 0.000 1.191 194 K CA 0.970 56.922 56.287 -0.559 0.000 0.851 194 K CB -2.337 29.974 32.500 -0.314 0.000 1.242 194 K HN 0.668 nan 8.250 nan 0.000 0.480 195 T N 1.080 115.664 114.554 0.050 0.000 2.928 195 T HA 0.323 4.692 4.350 0.031 0.000 0.305 195 T C 0.172 174.958 174.700 0.143 0.000 1.035 195 T CA 0.147 62.299 62.100 0.087 0.000 1.145 195 T CB 0.785 69.695 68.868 0.069 0.000 0.963 195 T HN 0.269 nan 8.240 nan 0.000 0.545 196 I N 2.287 122.874 120.570 0.028 0.000 2.827 196 I HA 0.502 4.691 4.170 0.031 0.000 0.298 196 I C -0.371 175.715 176.117 -0.052 0.000 1.235 196 I CA -0.333 60.956 61.300 -0.018 0.000 1.021 196 I CB 2.243 40.221 38.000 -0.037 0.000 1.259 196 I HN 0.708 nan 8.210 nan 0.000 0.427 197 S N 5.091 120.751 115.700 -0.068 0.000 2.681 197 S HA 0.423 4.912 4.470 0.031 0.000 0.299 197 S C 0.853 175.450 174.600 -0.005 0.000 1.113 197 S CA -0.431 57.727 58.200 -0.070 0.000 1.013 197 S CB 0.979 64.132 63.200 -0.079 0.000 1.076 197 S HN 0.680 nan 8.310 nan 0.000 0.534 198 F N 2.280 122.160 119.950 -0.117 0.000 2.065 198 F HA -0.162 4.369 4.527 0.007 0.000 0.298 198 F C 1.991 177.780 175.800 -0.017 0.000 1.112 198 F CA 2.270 60.239 58.000 -0.051 0.000 1.212 198 F CB -0.615 38.361 39.000 -0.040 0.000 0.975 198 F HN 0.608 nan 8.300 nan 0.000 0.476 199 N N 0.837 119.667 118.700 0.217 0.000 2.166 199 N HA -0.197 4.561 4.740 0.031 0.000 0.186 199 N C 1.481 176.965 175.510 -0.044 0.000 1.019 199 N CA 1.642 54.753 53.050 0.101 0.000 0.856 199 N CB -0.972 37.620 38.487 0.175 0.000 0.993 199 N HN 0.538 nan 8.380 nan 0.000 0.426 200 N N 0.736 119.401 118.700 -0.058 0.000 2.061 200 N HA -0.114 4.644 4.740 0.031 0.000 0.193 200 N C 1.765 177.197 175.510 -0.130 0.000 1.030 200 N CA 1.008 53.994 53.050 -0.106 0.000 0.856 200 N CB -0.157 38.258 38.487 -0.120 0.000 1.023 200 N HN 0.202 nan 8.380 nan 0.000 0.424 201 I N 0.997 121.479 120.570 -0.147 0.000 2.226 201 I HA -0.242 3.946 4.170 0.031 0.000 0.245 201 I C 1.978 178.027 176.117 -0.114 0.000 1.100 201 I CA 0.992 62.215 61.300 -0.128 0.000 1.374 201 I CB -0.178 37.760 38.000 -0.103 0.000 1.057 201 I HN 0.177 nan 8.210 nan 0.000 0.413 202 L N -0.173 120.943 121.223 -0.180 0.000 2.156 202 L HA -0.151 4.208 4.340 0.031 0.000 0.208 202 L C 2.073 178.918 176.870 -0.041 0.000 1.095 202 L CA 0.944 55.711 54.840 -0.121 0.000 0.770 202 L CB -0.656 41.297 42.059 -0.177 0.000 0.914 202 L HN 0.257 nan 8.230 nan 0.000 0.439 203 D N 0.592 120.960 120.400 -0.052 0.000 2.097 203 D HA -0.138 4.520 4.640 0.031 0.000 0.195 203 D C 2.213 178.512 176.300 -0.002 0.000 0.989 203 D CA 1.558 55.538 54.000 -0.033 0.000 0.827 203 D CB 0.167 40.924 40.800 -0.071 0.000 0.966 203 D HN 0.268 nan 8.370 nan 0.000 0.456 204 A N 0.860 123.668 122.820 -0.019 0.000 1.969 204 A HA -0.184 4.154 4.320 0.031 0.000 0.218 204 A C 2.080 179.747 177.584 0.138 0.000 1.169 204 A CA 1.786 53.833 52.037 0.015 0.000 0.635 204 A CB -0.416 18.535 19.000 -0.082 0.000 0.810 204 A HN 0.150 nan 8.150 nan 0.000 0.445 205 E N 0.871 121.153 120.200 0.137 0.000 2.058 205 E HA -0.232 4.137 4.350 0.031 0.000 0.194 205 E C 1.875 178.647 176.600 0.288 0.000 0.997 205 E CA 1.939 58.492 56.400 0.254 0.000 0.801 205 E CB -0.359 29.446 29.700 0.176 0.000 0.746 205 E HN 0.532 nan 8.360 nan 0.000 0.450 206 N N -0.217 118.583 118.700 0.168 0.000 2.171 206 N HA -0.033 4.726 4.740 0.031 0.000 0.184 206 N C 1.572 177.185 175.510 0.171 0.000 1.021 206 N CA 1.680 54.814 53.050 0.139 0.000 0.854 206 N CB -0.564 37.959 38.487 0.059 0.000 0.994 206 N HN 0.270 nan 8.380 nan 0.000 0.426 207 A N 0.457 123.366 122.820 0.149 0.000 1.908 207 A HA -0.177 4.162 4.320 0.031 0.000 0.218 207 A C 2.220 179.935 177.584 0.219 0.000 1.181 207 A CA 1.354 53.474 52.037 0.139 0.000 0.627 207 A CB -1.314 17.745 19.000 0.098 0.000 0.818 207 A HN 0.695 nan 8.150 nan 0.000 0.445 208 W N -0.687 120.656 121.300 0.072 0.000 2.407 208 W HA -0.195 4.479 4.660 0.024 0.000 0.305 208 W C 1.938 178.505 176.519 0.080 0.000 1.196 208 W CA 1.410 58.799 57.345 0.072 0.000 1.311 208 W CB -0.398 29.140 29.460 0.130 0.000 1.135 208 W HN 0.388 nan 8.180 nan 0.000 0.514 209 F N 1.726 121.657 119.950 -0.031 0.000 2.087 209 F HA -0.339 4.211 4.527 0.038 0.000 0.299 209 F C 2.539 178.188 175.800 -0.252 0.000 1.100 209 F CA 2.878 60.760 58.000 -0.198 0.000 1.226 209 F CB -0.713 38.256 39.000 -0.051 0.000 0.983 209 F HN -0.215 nan 8.300 nan 0.000 0.479 210 M N -0.382 119.279 119.600 0.102 0.000 2.132 210 M HA -0.149 4.349 4.480 0.031 0.000 0.263 210 M C 2.491 178.690 176.300 -0.168 0.000 1.065 210 M CA 1.615 56.916 55.300 0.001 0.000 1.122 210 M CB -0.827 31.803 32.600 0.049 0.000 1.365 210 M HN 0.307 nan 8.290 nan 0.000 0.411 211 A N 0.543 123.259 122.820 -0.174 0.000 1.877 211 A HA -0.174 4.165 4.320 0.031 0.000 0.216 211 A C 2.140 179.487 177.584 -0.395 0.000 1.186 211 A CA 1.676 53.589 52.037 -0.208 0.000 0.620 211 A CB -0.608 18.328 19.000 -0.107 0.000 0.822 211 A HN 0.384 nan 8.150 nan 0.000 0.443 212 K N -0.670 119.295 120.400 -0.725 0.000 2.113 212 K HA -0.191 4.148 4.320 0.031 0.000 0.208 212 K C 1.475 177.737 176.600 -0.564 0.000 1.047 212 K CA 1.537 57.344 56.287 -0.800 0.000 0.928 212 K CB -0.236 31.595 32.500 -1.114 0.000 0.716 212 K HN 0.452 nan 8.250 nan 0.000 0.446 213 N N 0.761 119.119 118.700 -0.570 0.000 2.515 213 N HA -0.009 4.750 4.740 0.031 0.000 0.191 213 N C -0.492 174.815 175.510 -0.338 0.000 1.182 213 N CA 0.209 52.966 53.050 -0.489 0.000 0.879 213 N CB 0.076 38.255 38.487 -0.513 0.000 0.984 213 N HN 0.043 nan 8.380 nan 0.000 0.453 214 L N 1.148 122.223 121.223 -0.246 0.000 2.289 214 L HA 0.355 4.714 4.340 0.031 0.000 0.285 214 L C -1.070 175.731 176.870 -0.114 0.000 1.049 214 L CA -1.592 53.172 54.840 -0.127 0.000 0.804 214 L CB 1.594 43.630 42.059 -0.038 0.000 1.195 214 L HN 0.018 nan 8.230 nan 0.000 0.428 215 P HA -0.067 nan 4.420 nan 0.000 0.230 215 P C -0.133 177.125 177.300 -0.070 0.000 1.158 215 P CA 0.889 63.937 63.100 -0.086 0.000 0.769 215 P CB 0.263 31.919 31.700 -0.072 0.000 0.807 216 R N -2.358 118.107 120.500 -0.057 0.000 2.902 216 R HA 0.437 4.796 4.340 0.031 0.000 0.264 216 R C -0.435 175.856 176.300 -0.015 0.000 1.059 216 R CA -1.241 54.830 56.100 -0.048 0.000 0.935 216 R CB -0.136 30.126 30.300 -0.064 0.000 1.325 216 R HN -0.233 nan 8.270 nan 0.000 0.438 217 M N 1.200 120.801 119.600 0.001 0.000 2.323 217 M HA 0.106 4.605 4.480 0.031 0.000 0.386 217 M C -0.236 176.126 176.300 0.103 0.000 1.525 217 M CA 1.940 57.287 55.300 0.078 0.000 0.914 217 M CB 0.062 32.634 32.600 -0.048 0.000 2.042 217 M HN 0.778 nan 8.290 nan 0.000 0.483 218 G N 2.924 111.863 108.800 0.231 0.000 2.608 218 G HA2 0.829 4.808 3.960 0.031 0.000 0.291 218 G HA3 0.829 4.808 3.960 0.031 0.000 0.291 218 G C -2.389 172.603 174.900 0.154 0.000 1.425 218 G CA -0.243 44.953 45.100 0.161 0.000 0.787 218 G HN 0.979 nan 8.290 nan 0.000 0.484 219 A N -0.604 122.283 122.820 0.112 0.000 2.488 219 A HA 0.748 5.087 4.320 0.031 0.000 0.295 219 A C -1.354 176.274 177.584 0.072 0.000 1.045 219 A CA -0.470 51.605 52.037 0.063 0.000 0.703 219 A CB 1.818 20.877 19.000 0.098 0.000 1.271 219 A HN 1.531 nan 8.150 nan 0.000 0.400 220 V N 2.222 122.160 119.914 0.040 0.000 2.540 220 V HA 0.573 4.712 4.120 0.031 0.000 0.302 220 V C -0.398 175.710 176.094 0.023 0.000 1.035 220 V CA -0.652 61.672 62.300 0.041 0.000 0.873 220 V CB 1.806 33.649 31.823 0.032 0.000 0.992 220 V HN 0.719 nan 8.190 nan 0.000 0.428 221 V N 5.222 125.147 119.914 0.019 0.000 2.370 221 V HA 0.511 4.649 4.120 0.031 0.000 0.283 221 V C -0.097 175.997 176.094 -0.001 0.000 1.023 221 V CA -0.539 61.761 62.300 -0.000 0.000 0.857 221 V CB 1.722 33.545 31.823 -0.000 0.000 0.985 221 V HN 0.605 nan 8.190 nan 0.000 0.443 222 V N 4.539 124.444 119.914 -0.014 0.000 2.630 222 V HA 0.679 4.818 4.120 0.031 0.000 0.305 222 V C -0.247 175.824 176.094 -0.038 0.000 1.046 222 V CA -0.738 61.554 62.300 -0.013 0.000 0.934 222 V CB 2.116 33.936 31.823 -0.005 0.000 1.003 222 V HN 0.856 nan 8.190 nan 0.000 0.451 223 K N 2.131 122.519 120.400 -0.020 0.000 2.535 223 K HA 0.525 4.863 4.320 0.031 0.000 0.250 223 K C -0.296 176.309 176.600 0.008 0.000 0.948 223 K CA -0.428 55.826 56.287 -0.055 0.000 0.796 223 K CB 0.463 32.981 32.500 0.031 0.000 1.216 223 K HN 0.711 nan 8.250 nan 0.000 0.432 224 H N 3.769 122.854 119.070 0.025 0.000 2.770 224 H HA -0.178 4.396 4.556 0.029 0.000 0.309 224 H C -0.606 174.739 175.328 0.029 0.000 1.206 224 H CA 1.287 57.356 56.048 0.035 0.000 1.147 224 H CB -1.150 28.636 29.762 0.040 0.000 1.422 224 H HN 0.866 nan 8.280 nan 0.000 0.420 225 Q N -2.006 117.822 119.800 0.048 0.000 2.481 225 Q HA -0.186 4.172 4.340 0.031 0.000 0.258 225 Q C -0.195 175.828 176.000 0.037 0.000 0.961 225 Q CA 1.354 57.182 55.803 0.040 0.000 1.121 225 Q CB -0.949 27.822 28.738 0.054 0.000 1.503 225 Q HN 0.451 nan 8.270 nan 0.000 0.544 226 S N -0.020 115.704 115.700 0.040 0.000 2.549 226 S HA 0.578 5.067 4.470 0.031 0.000 0.280 226 S C -2.590 172.019 174.600 0.016 0.000 1.109 226 S CA -1.647 56.566 58.200 0.022 0.000 0.905 226 S CB 1.613 64.828 63.200 0.025 0.000 1.081 226 S HN -0.024 nan 8.310 nan 0.000 0.477 227 P HA 0.131 nan 4.420 nan 0.000 0.265 227 P C 0.780 178.082 177.300 0.004 0.000 1.193 227 P CA -0.181 62.919 63.100 -0.001 0.000 0.765 227 P CB 0.089 31.777 31.700 -0.021 0.000 0.823 228 C N 1.760 121.068 119.300 0.012 0.000 2.865 228 C HA 0.619 5.098 4.460 0.031 0.000 0.280 228 C C 0.911 175.913 174.990 0.020 0.000 1.255 228 C CA 0.223 59.252 59.018 0.018 0.000 1.705 228 C CB -0.554 27.204 27.740 0.030 0.000 2.080 228 C HN 0.633 nan 8.230 nan 0.000 0.591 229 G N -0.177 108.637 108.800 0.024 0.000 2.703 229 G HA2 0.747 4.726 3.960 0.031 0.000 0.294 229 G HA3 0.747 4.726 3.960 0.031 0.000 0.294 229 G C -1.608 173.329 174.900 0.061 0.000 1.451 229 G CA 0.201 45.327 45.100 0.043 0.000 0.869 229 G HN 1.169 nan 8.290 nan 0.000 0.516 230 A N -0.532 122.357 122.820 0.116 0.000 2.574 230 A HA 1.071 5.410 4.320 0.031 0.000 0.297 230 A C -0.463 177.328 177.584 0.346 0.000 1.062 230 A CA 0.103 52.260 52.037 0.199 0.000 0.686 230 A CB 1.553 20.645 19.000 0.153 0.000 1.285 230 A HN 2.504 nan 8.150 nan 0.000 0.403 231 A N 0.838 123.812 122.820 0.257 0.000 2.556 231 A HA 0.902 5.241 4.320 0.031 0.000 0.294 231 A C -0.751 176.796 177.584 -0.063 0.000 1.091 231 A CA -0.259 51.820 52.037 0.070 0.000 0.704 231 A CB 0.953 19.967 19.000 0.024 0.000 1.300 231 A HN 1.948 nan 8.150 nan 0.000 0.406 232 I N -1.792 118.577 120.570 -0.334 0.000 2.934 232 I HA 1.008 5.197 4.170 0.031 0.000 0.306 232 I C 0.185 176.174 176.117 -0.214 0.000 1.110 232 I CA -0.692 60.454 61.300 -0.256 0.000 1.019 232 I CB 2.228 40.005 38.000 -0.371 0.000 1.227 232 I HN 1.285 nan 8.210 nan 0.000 0.434 233 G N 2.201 110.916 108.800 -0.143 0.000 2.356 233 G HA2 0.336 4.315 3.960 0.031 0.000 0.281 233 G HA3 0.336 4.315 3.960 0.031 0.000 0.281 233 G C -0.468 174.362 174.900 -0.117 0.000 1.246 233 G CA 0.213 45.236 45.100 -0.128 0.000 0.889 233 G HN 0.765 nan 8.290 nan 0.000 0.486 234 E N -1.595 118.534 120.200 -0.118 0.000 2.485 234 E HA 0.255 4.623 4.350 0.031 0.000 0.213 234 E C 0.000 176.504 176.600 -0.161 0.000 0.923 234 E CA 0.720 57.043 56.400 -0.129 0.000 1.054 234 E CB 0.924 30.564 29.700 -0.100 0.000 1.077 234 E HN 0.496 nan 8.360 nan 0.000 0.509 235 D N 0.738 121.049 120.400 -0.149 0.000 2.392 235 D HA 0.272 4.930 4.640 0.031 0.000 0.228 235 D C 0.513 176.698 176.300 -0.191 0.000 1.074 235 D CA -0.373 53.535 54.000 -0.153 0.000 0.838 235 D CB 1.478 42.219 40.800 -0.098 0.000 1.067 235 D HN 0.069 nan 8.370 nan 0.000 0.511 236 K N 1.866 122.085 120.400 -0.302 0.000 2.057 236 K HA -0.077 4.262 4.320 0.031 0.000 0.207 236 K C 1.836 178.370 176.600 -0.110 0.000 1.049 236 K CA 0.906 56.937 56.287 -0.426 0.000 0.931 236 K CB 0.237 32.334 32.500 -0.672 0.000 0.714 236 K HN 0.260 nan 8.250 nan 0.000 0.440 237 V N 1.297 121.166 119.914 -0.074 0.000 2.358 237 V HA -0.216 3.923 4.120 0.031 0.000 0.246 237 V C 2.284 178.379 176.094 0.002 0.000 1.047 237 V CA 1.886 64.182 62.300 -0.007 0.000 1.035 237 V CB -0.330 31.485 31.823 -0.013 0.000 0.658 237 V HN 0.316 nan 8.190 nan 0.000 0.452 238 E N 0.494 120.679 120.200 -0.024 0.000 2.047 238 E HA -0.175 4.194 4.350 0.031 0.000 0.191 238 E C 1.984 178.582 176.600 -0.004 0.000 0.987 238 E CA 1.482 57.871 56.400 -0.017 0.000 0.799 238 E CB -0.366 29.313 29.700 -0.035 0.000 0.752 238 E HN 0.568 nan 8.360 nan 0.000 0.449 239 I N -0.340 120.224 120.570 -0.010 0.000 2.151 239 I HA -0.314 3.875 4.170 0.031 0.000 0.243 239 I C 2.197 178.358 176.117 0.073 0.000 1.080 239 I CA 1.077 62.392 61.300 0.025 0.000 1.339 239 I CB -0.265 37.764 38.000 0.049 0.000 1.039 239 I HN 0.069 nan 8.210 nan 0.000 0.409 240 V N 0.615 120.590 119.914 0.103 0.000 2.358 240 V HA -0.288 3.850 4.120 0.031 0.000 0.246 240 V C 2.492 178.622 176.094 0.060 0.000 1.047 240 V CA 1.858 64.219 62.300 0.101 0.000 1.035 240 V CB -0.671 31.228 31.823 0.127 0.000 0.658 240 V HN 0.401 nan 8.190 nan 0.000 0.452 241 K N 0.332 120.760 120.400 0.046 0.000 2.044 241 K HA -0.270 4.069 4.320 0.031 0.000 0.210 241 K C 2.243 178.864 176.600 0.035 0.000 1.049 241 K CA 1.926 58.234 56.287 0.035 0.000 0.927 241 K CB -0.142 32.373 32.500 0.025 0.000 0.713 241 K HN 0.401 nan 8.250 nan 0.000 0.443 242 K N -0.139 120.280 120.400 0.032 0.000 2.026 242 K HA -0.128 4.211 4.320 0.031 0.000 0.208 242 K C 2.182 178.812 176.600 0.049 0.000 1.048 242 K CA 1.330 57.637 56.287 0.033 0.000 0.929 242 K CB -0.196 32.316 32.500 0.020 0.000 0.713 242 K HN 0.224 nan 8.250 nan 0.000 0.439 243 A N 1.352 124.207 122.820 0.058 0.000 1.902 243 A HA -0.166 4.172 4.320 0.031 0.000 0.217 243 A C 2.139 179.753 177.584 0.051 0.000 1.181 243 A CA 1.391 53.468 52.037 0.068 0.000 0.623 243 A CB -0.602 18.442 19.000 0.072 0.000 0.818 243 A HN 0.190 nan 8.150 nan 0.000 0.443 244 I N -0.635 119.960 120.570 0.042 0.000 2.202 244 I HA -0.221 3.968 4.170 0.031 0.000 0.242 244 I C 2.295 178.437 176.117 0.041 0.000 1.091 244 I CA 1.524 62.845 61.300 0.035 0.000 1.368 244 I CB -0.296 37.723 38.000 0.031 0.000 1.058 244 I HN 0.399 nan 8.210 nan 0.000 0.410 245 E N 0.639 120.863 120.200 0.041 0.000 2.435 245 E HA -0.040 4.329 4.350 0.031 0.000 0.195 245 E C 2.177 178.800 176.600 0.039 0.000 1.029 245 E CA 0.587 57.011 56.400 0.040 0.000 0.865 245 E CB 0.051 29.772 29.700 0.035 0.000 0.833 245 E HN 0.467 nan 8.360 nan 0.000 0.510 246 A N 1.768 124.614 122.820 0.043 0.000 1.865 246 A HA -0.178 4.160 4.320 0.031 0.000 0.217 246 A C 1.436 179.041 177.584 0.035 0.000 1.191 246 A CA 1.463 53.526 52.037 0.044 0.000 0.623 246 A CB -0.002 19.032 19.000 0.057 0.000 0.826 246 A HN 0.111 nan 8.150 nan 0.000 0.444 247 D N -1.312 119.109 120.400 0.035 0.000 2.456 247 D HA 0.291 4.950 4.640 0.031 0.000 0.287 247 D C 0.147 176.472 176.300 0.042 0.000 1.186 247 D CA -0.361 53.658 54.000 0.031 0.000 0.916 247 D CB 0.492 41.308 40.800 0.027 0.000 1.029 247 D HN 0.177 nan 8.370 nan 0.000 0.498 248 D N 1.775 122.199 120.400 0.041 0.000 2.178 248 D HA -0.158 4.500 4.640 0.031 0.000 0.201 248 D C 1.361 177.701 176.300 0.066 0.000 0.980 248 D CA 1.306 55.337 54.000 0.052 0.000 0.842 248 D CB 0.483 41.309 40.800 0.044 0.000 0.948 248 D HN 0.487 nan 8.370 nan 0.000 0.472 249 E N -0.669 119.563 120.200 0.054 0.000 2.150 249 E HA -0.071 4.298 4.350 0.031 0.000 0.193 249 E C 1.943 178.597 176.600 0.090 0.000 0.985 249 E CA 0.970 57.406 56.400 0.059 0.000 0.814 249 E CB 0.087 29.809 29.700 0.036 0.000 0.752 249 E HN 0.140 nan 8.360 nan 0.000 0.466 250 S N 0.303 116.053 115.700 0.084 0.000 2.478 250 S HA -0.055 4.434 4.470 0.031 0.000 0.222 250 S C 1.958 176.622 174.600 0.108 0.000 1.008 250 S CA 0.716 58.976 58.200 0.100 0.000 0.928 250 S CB 0.165 63.410 63.200 0.074 0.000 0.781 250 S HN 0.292 nan 8.310 nan 0.000 0.518 251 S N 1.042 116.800 115.700 0.096 0.000 2.522 251 S HA 0.107 4.596 4.470 0.031 0.000 0.227 251 S C 0.401 175.040 174.600 0.065 0.000 0.986 251 S CA -0.290 57.946 58.200 0.060 0.000 0.929 251 S CB -0.679 62.548 63.200 0.045 0.000 0.769 251 S HN 0.408 nan 8.310 nan 0.000 0.529 252 F N 3.546 123.508 119.950 0.021 0.000 2.571 252 F HA 0.445 4.991 4.527 0.032 0.000 0.384 252 F C 1.359 177.178 175.800 0.033 0.000 1.058 252 F CA 0.695 58.720 58.000 0.041 0.000 1.200 252 F CB -0.218 38.822 39.000 0.067 0.000 1.077 252 F HN 0.339 nan 8.300 nan 0.000 0.558 253 G N 3.694 112.034 108.800 -0.767 0.000 2.136 253 G HA2 -0.198 3.780 3.960 0.031 0.000 0.242 253 G HA3 -0.198 3.780 3.960 0.031 0.000 0.242 253 G C 0.479 175.174 174.900 -0.343 0.000 0.989 253 G CA -0.028 44.721 45.100 -0.586 0.000 0.682 253 G HN 1.265 nan 8.290 nan 0.000 0.522 254 G N -0.911 107.720 108.800 -0.281 0.000 2.588 254 G HA2 0.614 4.593 3.960 0.031 0.000 0.281 254 G HA3 0.614 4.593 3.960 0.031 0.000 0.281 254 G C -0.380 174.391 174.900 -0.214 0.000 1.236 254 G CA -0.661 44.328 45.100 -0.185 0.000 0.969 254 G HN 0.565 nan 8.290 nan 0.000 0.504 255 I N -0.021 120.460 120.570 -0.148 0.000 2.382 255 I HA 0.287 4.475 4.170 0.031 0.000 0.286 255 I C -0.537 175.532 176.117 -0.080 0.000 1.002 255 I CA -0.432 60.790 61.300 -0.131 0.000 1.135 255 I CB 1.725 39.661 38.000 -0.107 0.000 1.288 255 I HN 0.257 nan 8.210 nan 0.000 0.448 256 L N 7.160 128.333 121.223 -0.083 0.000 2.282 256 L HA 0.918 5.276 4.340 0.031 0.000 0.288 256 L C -0.313 176.540 176.870 -0.029 0.000 1.033 256 L CA -0.169 54.640 54.840 -0.051 0.000 0.807 256 L CB 1.090 43.111 42.059 -0.062 0.000 1.209 256 L HN 0.681 nan 8.230 nan 0.000 0.423 257 A N 5.387 128.209 122.820 0.002 0.000 2.343 257 A HA 0.782 5.121 4.320 0.031 0.000 0.316 257 A C -0.919 176.643 177.584 -0.038 0.000 1.104 257 A CA -0.253 51.812 52.037 0.048 0.000 0.768 257 A CB 1.444 20.559 19.000 0.192 0.000 1.213 257 A HN 1.054 nan 8.150 nan 0.000 0.456 258 V N 0.388 120.209 119.914 -0.155 0.000 2.919 258 V HA 0.667 4.806 4.120 0.031 0.000 0.316 258 V C 0.066 175.971 176.094 -0.315 0.000 1.077 258 V CA -0.672 61.360 62.300 -0.447 0.000 0.977 258 V CB 2.051 33.224 31.823 -1.085 0.000 1.039 258 V HN 0.916 nan 8.190 nan 0.000 0.441 259 N N 0.988 119.478 118.700 -0.351 0.000 2.273 259 N HA 0.262 5.020 4.740 0.031 0.000 0.231 259 N C -0.500 175.000 175.510 -0.016 0.000 1.134 259 N CA -0.324 52.656 53.050 -0.117 0.000 0.856 259 N CB -0.140 38.281 38.487 -0.110 0.000 1.068 259 N HN 0.795 nan 8.380 nan 0.000 0.510 260 F N -2.018 117.930 119.950 -0.003 0.000 2.650 260 F HA 0.577 5.125 4.527 0.034 0.000 0.320 260 F C 0.203 175.957 175.800 -0.077 0.000 1.091 260 F CA -1.896 56.084 58.000 -0.033 0.000 0.962 260 F CB 0.744 39.718 39.000 -0.043 0.000 1.363 260 F HN -0.114 nan 8.300 nan 0.000 0.482 261 E N 1.717 122.021 120.200 0.173 0.000 2.417 261 E HA 0.165 4.534 4.350 0.031 0.000 0.261 261 E C -0.549 176.078 176.600 0.044 0.000 1.000 261 E CA -0.571 55.840 56.400 0.018 0.000 0.919 261 E CB 0.714 30.440 29.700 0.044 0.000 0.955 261 E HN 0.674 nan 8.360 nan 0.000 0.455 262 M N 5.843 125.308 119.600 -0.226 0.000 2.194 262 M HA 0.127 4.626 4.480 0.031 0.000 0.347 262 M C -1.311 174.991 176.300 0.003 0.000 1.439 262 M CA -0.199 55.003 55.300 -0.164 0.000 1.131 262 M CB 0.217 32.513 32.600 -0.506 0.000 1.733 262 M HN 0.478 nan 8.290 nan 0.000 0.467 263 D N 2.202 122.646 120.400 0.073 0.000 2.525 263 D HA 0.218 4.877 4.640 0.031 0.000 0.249 263 D C 0.391 176.736 176.300 0.075 0.000 1.072 263 D CA -0.547 53.497 54.000 0.074 0.000 1.067 263 D CB 0.301 41.135 40.800 0.057 0.000 1.282 263 D HN 0.683 nan 8.370 nan 0.000 0.587 264 E N -0.421 119.815 120.200 0.061 0.000 2.085 264 E HA -0.281 4.087 4.350 0.031 0.000 0.194 264 E C 1.491 178.119 176.600 0.046 0.000 0.994 264 E CA 1.250 57.682 56.400 0.054 0.000 0.801 264 E CB 0.124 29.849 29.700 0.042 0.000 0.743 264 E HN 0.629 nan 8.360 nan 0.000 0.453 265 E N -0.189 120.033 120.200 0.037 0.000 2.031 265 E HA -0.175 4.194 4.350 0.031 0.000 0.193 265 E C 2.119 178.741 176.600 0.037 0.000 0.994 265 E CA 1.508 57.925 56.400 0.028 0.000 0.800 265 E CB 0.117 29.824 29.700 0.013 0.000 0.752 265 E HN 0.158 nan 8.360 nan 0.000 0.447 266 V N 1.297 121.242 119.914 0.052 0.000 2.343 266 V HA -0.260 3.879 4.120 0.031 0.000 0.247 266 V C 2.469 178.604 176.094 0.069 0.000 1.051 266 V CA 1.758 64.101 62.300 0.072 0.000 1.036 266 V CB -0.823 31.077 31.823 0.129 0.000 0.654 266 V HN 0.455 nan 8.190 nan 0.000 0.451 267 A N -0.061 122.802 122.820 0.072 0.000 1.883 267 A HA -0.258 4.080 4.320 0.031 0.000 0.217 267 A C 2.262 179.879 177.584 0.055 0.000 1.186 267 A CA 2.069 54.148 52.037 0.070 0.000 0.624 267 A CB -0.468 18.582 19.000 0.083 0.000 0.822 267 A HN 0.543 nan 8.150 nan 0.000 0.444 268 K N 0.378 120.807 120.400 0.048 0.000 2.362 268 K HA -0.071 4.268 4.320 0.031 0.000 0.200 268 K C 2.063 178.686 176.600 0.037 0.000 1.046 268 K CA 1.218 57.529 56.287 0.040 0.000 0.952 268 K CB -0.105 32.415 32.500 0.034 0.000 0.753 268 K HN 0.662 nan 8.250 nan 0.000 0.466 269 S N 0.476 116.199 115.700 0.038 0.000 2.527 269 S HA 0.040 4.529 4.470 0.031 0.000 0.222 269 S C 0.730 175.353 174.600 0.038 0.000 0.985 269 S CA -0.175 58.046 58.200 0.035 0.000 0.921 269 S CB -0.282 62.938 63.200 0.033 0.000 0.772 269 S HN 0.086 nan 8.310 nan 0.000 0.529 270 L N 1.581 122.830 121.223 0.042 0.000 2.455 270 L HA 0.282 4.641 4.340 0.031 0.000 0.272 270 L C 0.973 177.872 176.870 0.050 0.000 1.174 270 L CA 0.008 54.873 54.840 0.041 0.000 0.869 270 L CB 0.533 42.612 42.059 0.034 0.000 1.130 270 L HN 0.171 nan 8.230 nan 0.000 0.474 271 K N 1.937 122.370 120.400 0.055 0.000 2.447 271 K HA 0.198 4.537 4.320 0.031 0.000 0.205 271 K C -0.337 176.320 176.600 0.096 0.000 1.059 271 K CA -0.195 56.133 56.287 0.068 0.000 1.065 271 K CB 0.727 33.261 32.500 0.057 0.000 0.885 271 K HN 0.255 nan 8.250 nan 0.000 0.545 272 K N 0.525 120.983 120.400 0.096 0.000 2.397 272 K HA 0.202 4.541 4.320 0.031 0.000 0.253 272 K C -1.582 175.079 176.600 0.102 0.000 0.932 272 K CA -0.885 55.481 56.287 0.132 0.000 0.795 272 K CB 0.896 33.444 32.500 0.081 0.000 1.159 272 K HN -0.112 nan 8.250 nan 0.000 0.424 273 Y N 4.575 124.882 120.300 0.012 0.000 2.544 273 Y HA 0.263 4.832 4.550 0.031 0.000 0.330 273 Y C -1.099 174.631 175.900 -0.283 0.000 1.136 273 Y CA 0.182 58.190 58.100 -0.154 0.000 1.417 273 Y CB 0.261 38.587 38.460 -0.223 0.000 1.229 273 Y HN 0.441 nan 8.280 nan 0.000 0.532 274 L N 6.390 127.050 121.223 -0.938 0.000 2.346 274 L HA 0.316 4.675 4.340 0.031 0.000 0.276 274 L C 1.053 177.161 176.870 -1.270 0.000 1.006 274 L CA -0.568 53.743 54.840 -0.880 0.000 0.817 274 L CB 1.966 43.770 42.059 -0.425 0.000 1.272 274 L HN 0.682 nan 8.230 nan 0.000 0.421 275 E N 1.956 121.622 120.200 -0.890 0.000 2.072 275 E HA -0.018 4.351 4.350 0.031 0.000 0.190 275 E C -0.314 176.063 176.600 -0.370 0.000 0.982 275 E CA 0.889 56.945 56.400 -0.572 0.000 0.803 275 E CB 0.505 30.020 29.700 -0.308 0.000 0.755 275 E HN 0.373 nan 8.360 nan 0.000 0.453 276 V N 1.163 120.888 119.914 -0.315 0.000 2.760 276 V HA 0.378 4.517 4.120 0.031 0.000 0.309 276 V C -0.579 175.408 176.094 -0.178 0.000 1.077 276 V CA -0.747 61.411 62.300 -0.237 0.000 0.910 276 V CB 1.946 33.648 31.823 -0.202 0.000 1.008 276 V HN 0.092 nan 8.190 nan 0.000 0.424 277 I N 3.873 124.373 120.570 -0.115 0.000 2.433 277 I HA 0.636 4.825 4.170 0.031 0.000 0.292 277 I C -0.891 175.275 176.117 0.082 0.000 1.001 277 I CA -0.934 60.361 61.300 -0.009 0.000 1.119 277 I CB 2.190 40.234 38.000 0.074 0.000 1.289 277 I HN 0.299 nan 8.210 nan 0.000 0.438 278 V N 4.918 124.845 119.914 0.022 0.000 2.487 278 V HA 0.893 5.032 4.120 0.031 0.000 0.298 278 V C -0.118 175.892 176.094 -0.139 0.000 1.028 278 V CA -0.434 61.840 62.300 -0.043 0.000 0.860 278 V CB 1.436 33.204 31.823 -0.092 0.000 0.991 278 V HN 0.875 nan 8.190 nan 0.000 0.427 279 A N 5.849 128.494 122.820 -0.292 0.000 2.606 279 A HA 0.893 5.232 4.320 0.031 0.000 0.293 279 A C -2.430 174.932 177.584 -0.370 0.000 1.082 279 A CA -1.276 50.499 52.037 -0.436 0.000 0.685 279 A CB 1.908 20.353 19.000 -0.925 0.000 1.284 279 A HN 0.503 nan 8.150 nan 0.000 0.408 280 P HA -0.041 nan 4.420 nan 0.000 0.220 280 P C 0.469 177.741 177.300 -0.047 0.000 1.148 280 P CA 1.889 64.978 63.100 -0.018 0.000 0.803 280 P CB 0.103 31.891 31.700 0.146 0.000 0.782 281 S N -2.046 113.566 115.700 -0.147 0.000 2.588 281 S HA 0.656 5.145 4.470 0.031 0.000 0.269 281 S C -1.387 173.073 174.600 -0.233 0.000 1.157 281 S CA -0.843 57.330 58.200 -0.045 0.000 0.824 281 S CB 0.916 64.127 63.200 0.020 0.000 1.126 281 S HN -0.136 nan 8.310 nan 0.000 0.464 282 F N 1.185 121.132 119.950 -0.006 0.000 2.547 282 F HA 0.560 5.104 4.527 0.029 0.000 0.316 282 F C 0.885 176.691 175.800 0.010 0.000 1.121 282 F CA -0.448 57.552 58.000 0.000 0.000 0.911 282 F CB 2.209 41.200 39.000 -0.015 0.000 1.179 282 F HN 0.862 nan 8.300 nan 0.000 0.443 283 T N -1.197 113.461 114.554 0.174 0.000 2.855 283 T HA 0.043 4.412 4.350 0.031 0.000 0.314 283 T C 1.030 175.802 174.700 0.120 0.000 1.077 283 T CA -0.344 61.827 62.100 0.118 0.000 1.095 283 T CB 1.101 70.019 68.868 0.082 0.000 0.987 283 T HN 0.635 nan 8.240 nan 0.000 0.546 284 Q N 0.873 120.719 119.800 0.076 0.000 2.096 284 Q HA -0.130 4.229 4.340 0.031 0.000 0.204 284 Q C 2.048 178.077 176.000 0.048 0.000 0.982 284 Q CA 2.062 57.896 55.803 0.051 0.000 0.850 284 Q CB -0.588 28.170 28.738 0.033 0.000 0.901 284 Q HN 0.902 nan 8.270 nan 0.000 0.422 285 E N -0.255 119.976 120.200 0.051 0.000 2.118 285 E HA -0.147 4.222 4.350 0.031 0.000 0.195 285 E C 1.797 178.433 176.600 0.060 0.000 0.992 285 E CA 1.433 57.860 56.400 0.046 0.000 0.804 285 E CB -0.447 29.279 29.700 0.042 0.000 0.741 285 E HN 0.475 nan 8.360 nan 0.000 0.458 286 A N 0.461 123.336 122.820 0.091 0.000 1.930 286 A HA -0.130 4.209 4.320 0.031 0.000 0.217 286 A C 2.208 179.861 177.584 0.116 0.000 1.175 286 A CA 1.038 53.150 52.037 0.126 0.000 0.627 286 A CB -0.537 18.577 19.000 0.189 0.000 0.815 286 A HN 0.191 nan 8.150 nan 0.000 0.443 287 I N -0.271 120.348 120.570 0.082 0.000 2.315 287 I HA -0.201 3.988 4.170 0.031 0.000 0.248 287 I C 3.065 179.175 176.117 -0.011 0.000 1.117 287 I CA 1.441 62.732 61.300 -0.016 0.000 1.404 287 I CB -0.478 37.486 38.000 -0.060 0.000 1.071 287 I HN 0.541 nan 8.210 nan 0.000 0.419 288 E N 0.659 120.866 120.200 0.011 0.000 2.028 288 E HA -0.159 4.210 4.350 0.031 0.000 0.191 288 E C 2.257 178.867 176.600 0.017 0.000 0.988 288 E CA 1.811 58.217 56.400 0.010 0.000 0.799 288 E CB -1.169 28.539 29.700 0.014 0.000 0.755 288 E HN 0.276 nan 8.360 nan 0.000 0.447 289 V N 0.810 120.741 119.914 0.029 0.000 2.287 289 V HA -0.262 3.877 4.120 0.031 0.000 0.248 289 V C 2.769 178.882 176.094 0.033 0.000 1.053 289 V CA 2.043 64.363 62.300 0.033 0.000 1.027 289 V CB -0.482 31.367 31.823 0.044 0.000 0.646 289 V HN 0.530 nan 8.190 nan 0.000 0.447 290 L N -0.521 120.722 121.223 0.032 0.000 2.068 290 L HA -0.086 4.272 4.340 0.031 0.000 0.204 290 L C 2.712 179.585 176.870 0.005 0.000 1.076 290 L CA 1.617 56.471 54.840 0.024 0.000 0.753 290 L CB -0.713 41.364 42.059 0.029 0.000 0.910 290 L HN 0.353 nan 8.230 nan 0.000 0.439 291 S N 0.420 116.117 115.700 -0.005 0.000 2.370 291 S HA -0.258 4.231 4.470 0.031 0.000 0.226 291 S C 2.352 176.963 174.600 0.018 0.000 1.033 291 S CA 1.985 60.191 58.200 0.010 0.000 1.011 291 S CB -0.159 63.050 63.200 0.015 0.000 0.852 291 S HN 0.377 nan 8.310 nan 0.000 0.457 292 K N 0.691 121.101 120.400 0.016 0.000 2.209 292 K HA -0.008 4.331 4.320 0.031 0.000 0.204 292 K C 1.959 178.570 176.600 0.019 0.000 1.048 292 K CA 1.609 57.905 56.287 0.015 0.000 0.940 292 K CB -0.983 31.525 32.500 0.014 0.000 0.729 292 K HN 0.458 nan 8.250 nan 0.000 0.451 293 K N -0.618 119.800 120.400 0.031 0.000 2.476 293 K HA 0.296 4.635 4.320 0.031 0.000 0.196 293 K C 1.277 177.922 176.600 0.075 0.000 1.025 293 K CA 0.690 57.008 56.287 0.051 0.000 1.138 293 K CB -0.565 31.983 32.500 0.080 0.000 0.860 293 K HN 0.935 nan 8.250 nan 0.000 0.515 294 K N -0.901 119.523 120.400 0.040 0.000 3.274 294 K HA -0.175 4.163 4.320 0.031 0.000 0.300 294 K C 0.296 176.952 176.600 0.093 0.000 1.230 294 K CA 1.268 57.577 56.287 0.037 0.000 0.884 294 K CB -2.975 29.515 32.500 -0.016 0.000 1.242 294 K HN 0.277 nan 8.250 nan 0.000 0.467 295 V N 1.324 121.266 119.914 0.047 0.000 2.614 295 V HA 0.351 4.490 4.120 0.031 0.000 0.291 295 V C 1.095 176.998 176.094 -0.318 0.000 1.049 295 V CA -0.606 61.633 62.300 -0.100 0.000 1.038 295 V CB 1.276 33.037 31.823 -0.104 0.000 0.980 295 V HN 0.580 nan 8.190 nan 0.000 0.481 296 R N 4.591 124.814 120.500 -0.460 0.000 2.404 296 R HA 0.686 5.045 4.340 0.031 0.000 0.291 296 R C -1.060 175.008 176.300 -0.387 0.000 1.025 296 R CA -0.507 55.104 56.100 -0.816 0.000 0.991 296 R CB 0.882 30.781 30.300 -0.667 0.000 1.053 296 R HN 0.566 nan 8.270 nan 0.000 0.479 297 L N 4.515 125.626 121.223 -0.187 0.000 2.376 297 L HA 0.505 4.863 4.340 0.031 0.000 0.275 297 L C -0.848 175.881 176.870 -0.236 0.000 0.987 297 L CA -0.587 54.104 54.840 -0.249 0.000 0.828 297 L CB 1.447 43.204 42.059 -0.503 0.000 1.249 297 L HN 0.397 nan 8.230 nan 0.000 0.409 298 L N 3.904 125.006 121.223 -0.201 0.000 2.362 298 L HA 0.525 4.884 4.340 0.031 0.000 0.275 298 L C -0.355 176.468 176.870 -0.078 0.000 0.998 298 L CA -0.565 54.121 54.840 -0.257 0.000 0.820 298 L CB 2.421 44.211 42.059 -0.448 0.000 1.270 298 L HN 0.537 nan 8.230 nan 0.000 0.415 299 K N 5.162 125.533 120.400 -0.050 0.000 2.464 299 K HA 0.467 4.805 4.320 0.031 0.000 0.252 299 K C -2.659 173.896 176.600 -0.075 0.000 1.000 299 K CA -1.572 54.714 56.287 -0.003 0.000 0.951 299 K CB 1.643 34.215 32.500 0.118 0.000 1.183 299 K HN 0.160 nan 8.250 nan 0.000 0.445 300 P HA 0.214 nan 4.420 nan 0.000 0.277 300 P C -0.308 177.019 177.300 0.046 0.000 1.240 300 P CA -0.378 62.631 63.100 -0.152 0.000 0.798 300 P CB 1.407 32.764 31.700 -0.571 0.000 0.979 301 G N 0.471 109.371 108.800 0.167 0.000 2.795 301 G HA2 0.300 4.279 3.960 0.031 0.000 0.267 301 G HA3 0.300 4.279 3.960 0.031 0.000 0.267 301 G C -0.923 174.185 174.900 0.346 0.000 1.362 301 G CA -0.521 44.701 45.100 0.204 0.000 1.048 301 G HN 0.335 nan 8.290 nan 0.000 0.547 302 D N -0.024 120.533 120.400 0.263 0.000 2.345 302 D HA 0.490 5.149 4.640 0.031 0.000 0.247 302 D C -0.601 175.900 176.300 0.335 0.000 1.108 302 D CA 0.824 54.964 54.000 0.233 0.000 0.894 302 D CB 1.313 42.189 40.800 0.126 0.000 1.203 302 D HN 0.412 nan 8.370 nan 0.000 0.430 303 Y N -1.571 118.816 120.300 0.146 0.000 2.741 303 Y HA 0.564 5.130 4.550 0.027 0.000 0.339 303 Y C -1.849 174.130 175.900 0.132 0.000 1.226 303 Y CA -1.530 56.661 58.100 0.151 0.000 1.072 303 Y CB 0.539 39.105 38.460 0.175 0.000 1.331 303 Y HN 0.318 nan 8.280 nan 0.000 0.453 304 A N 1.698 124.630 122.820 0.186 0.000 2.290 304 A HA 0.739 5.077 4.320 0.031 0.000 0.310 304 A C -0.570 177.042 177.584 0.048 0.000 1.202 304 A CA -0.541 51.482 52.037 -0.025 0.000 0.837 304 A CB 0.477 19.483 19.000 0.011 0.000 1.139 304 A HN 0.695 nan 8.150 nan 0.000 0.509 305 S N 0.575 116.180 115.700 -0.158 0.000 2.616 305 S HA 0.605 5.094 4.470 0.031 0.000 0.277 305 S C -1.173 173.170 174.600 -0.427 0.000 1.234 305 S CA 0.008 58.209 58.200 0.001 0.000 1.028 305 S CB 0.360 63.660 63.200 0.165 0.000 0.988 305 S HN 0.628 nan 8.310 nan 0.000 0.522 306 W N 0.641 122.017 121.300 0.126 0.000 3.097 306 W HA 0.628 5.320 4.660 0.055 0.000 0.335 306 W C -0.151 176.391 176.519 0.039 0.000 1.114 306 W CA -0.762 56.632 57.345 0.081 0.000 1.231 306 W CB 1.009 30.533 29.460 0.107 0.000 1.388 306 W HN 0.752 nan 8.180 nan 0.000 0.485 307 A N 2.191 125.143 122.820 0.220 0.000 2.287 307 A HA 0.941 5.280 4.320 0.031 0.000 0.273 307 A C 0.609 178.306 177.584 0.187 0.000 1.091 307 A CA 0.532 52.658 52.037 0.149 0.000 0.817 307 A CB 0.291 19.345 19.000 0.090 0.000 1.069 307 A HN 1.618 nan 8.150 nan 0.000 0.492 308 G N -0.238 108.642 108.800 0.132 0.000 2.462 308 G HA2 0.262 4.241 3.960 0.031 0.000 0.685 308 G HA3 0.262 4.241 3.960 0.031 0.000 0.685 308 G C -0.915 174.040 174.900 0.092 0.000 1.295 308 G CA -0.218 44.948 45.100 0.110 0.000 0.941 308 G HN 0.916 nan 8.290 nan 0.000 0.554 309 K N -0.859 119.583 120.400 0.070 0.000 2.571 309 K HA 0.542 4.880 4.320 0.031 0.000 0.289 309 K C -0.254 176.371 176.600 0.042 0.000 1.028 309 K CA -1.222 55.099 56.287 0.058 0.000 0.895 309 K CB 1.187 33.717 32.500 0.050 0.000 1.534 309 K HN 0.462 nan 8.250 nan 0.000 0.421 310 M N 1.441 121.059 119.600 0.030 0.000 2.239 310 M HA 0.312 4.811 4.480 0.031 0.000 0.348 310 M C -0.251 176.045 176.300 -0.007 0.000 1.239 310 M CA 0.294 55.601 55.300 0.012 0.000 1.114 310 M CB 0.285 32.884 32.600 -0.001 0.000 1.641 310 M HN 0.756 nan 8.290 nan 0.000 0.453 311 A N 3.294 126.120 122.820 0.009 0.000 2.465 311 A HA 0.662 5.001 4.320 0.031 0.000 0.292 311 A C -0.523 177.120 177.584 0.098 0.000 1.041 311 A CA -0.660 51.359 52.037 -0.030 0.000 0.718 311 A CB 0.546 19.606 19.000 0.100 0.000 1.266 311 A HN 0.794 nan 8.150 nan 0.000 0.403 312 F N 1.008 120.954 119.950 -0.006 0.000 3.100 312 F HA -0.226 4.318 4.527 0.028 0.000 0.283 312 F C 1.691 177.482 175.800 -0.014 0.000 0.900 312 F CA 1.795 59.790 58.000 -0.009 0.000 1.010 312 F CB -1.355 37.639 39.000 -0.009 0.000 1.029 312 F HN 2.155 nan 8.300 nan 0.000 0.637 313 G N -0.281 108.557 108.800 0.064 0.000 2.155 313 G HA2 -0.197 3.782 3.960 0.031 0.000 0.257 313 G HA3 -0.197 3.782 3.960 0.031 0.000 0.257 313 G C 0.256 175.174 174.900 0.031 0.000 0.983 313 G CA 0.556 45.675 45.100 0.032 0.000 0.676 313 G HN 1.214 nan 8.290 nan 0.000 0.528 314 S N -0.969 114.765 115.700 0.057 0.000 2.578 314 S HA 0.748 5.237 4.470 0.031 0.000 0.301 314 S C -0.230 174.386 174.600 0.028 0.000 1.091 314 S CA -0.721 57.502 58.200 0.038 0.000 1.032 314 S CB 1.597 64.831 63.200 0.058 0.000 1.064 314 S HN 1.192 nan 8.310 nan 0.000 0.508 315 L N 5.145 126.372 121.223 0.007 0.000 2.260 315 L HA 0.583 4.941 4.340 0.031 0.000 0.289 315 L C -1.135 175.742 176.870 0.012 0.000 1.057 315 L CA -0.040 54.803 54.840 0.005 0.000 0.811 315 L CB 0.878 42.929 42.059 -0.014 0.000 1.184 315 L HN 0.511 nan 8.230 nan 0.000 0.429 316 V N 7.288 127.222 119.914 0.033 0.000 2.313 316 V HA 0.434 4.573 4.120 0.031 0.000 0.278 316 V C 0.073 176.202 176.094 0.059 0.000 1.017 316 V CA -0.455 61.873 62.300 0.046 0.000 0.823 316 V CB 1.028 32.891 31.823 0.067 0.000 1.010 316 V HN 0.600 nan 8.190 nan 0.000 0.443 317 L N 3.380 124.637 121.223 0.056 0.000 2.333 317 L HA 0.785 5.144 4.340 0.031 0.000 0.269 317 L C -0.053 176.927 176.870 0.182 0.000 1.010 317 L CA -0.350 54.553 54.840 0.105 0.000 0.818 317 L CB 2.317 44.373 42.059 -0.004 0.000 1.306 317 L HN 0.622 nan 8.230 nan 0.000 0.430 318 S N 0.504 116.377 115.700 0.289 0.000 2.541 318 S HA 0.363 4.852 4.470 0.031 0.000 0.280 318 S C -0.781 174.054 174.600 0.392 0.000 1.112 318 S CA -0.741 57.632 58.200 0.288 0.000 0.925 318 S CB 1.544 64.848 63.200 0.173 0.000 1.067 318 S HN 0.619 nan 8.310 nan 0.000 0.479 319 E N 1.756 122.121 120.200 0.274 0.000 2.467 319 E HA 0.015 4.384 4.350 0.031 0.000 0.264 319 E C 0.003 176.572 176.600 -0.052 0.000 1.020 319 E CA 0.324 56.699 56.400 -0.041 0.000 0.945 319 E CB 0.411 30.072 29.700 -0.064 0.000 0.942 319 E HN 0.378 nan 8.360 nan 0.000 0.449 320 R N 2.685 123.081 120.500 -0.173 0.000 2.320 320 R HA 0.236 4.594 4.340 0.031 0.000 0.319 320 R C -1.099 175.171 176.300 -0.049 0.000 0.969 320 R CA -0.421 55.584 56.100 -0.159 0.000 0.857 320 R CB 0.421 30.531 30.300 -0.316 0.000 1.160 320 R HN 0.339 nan 8.270 nan 0.000 0.491 321 K N 3.337 123.750 120.400 0.021 0.000 2.427 321 K HA 0.164 4.502 4.320 0.031 0.000 0.252 321 K C -1.563 175.141 176.600 0.173 0.000 0.931 321 K CA -0.878 55.484 56.287 0.126 0.000 0.793 321 K CB 2.163 34.685 32.500 0.037 0.000 1.211 321 K HN 0.359 nan 8.250 nan 0.000 0.426 322 Y N 4.890 125.286 120.300 0.161 0.000 2.393 322 Y HA 0.179 4.747 4.550 0.029 0.000 0.338 322 Y C -2.014 173.937 175.900 0.084 0.000 1.029 322 Y CA -1.908 56.260 58.100 0.113 0.000 1.239 322 Y CB 0.573 39.092 38.460 0.099 0.000 1.170 322 Y HN 0.414 nan 8.280 nan 0.000 0.515 323 P HA 0.080 nan 4.420 nan 0.000 0.271 323 P C -1.016 176.168 177.300 -0.193 0.000 1.216 323 P CA -0.058 62.886 63.100 -0.261 0.000 0.771 323 P CB 0.945 32.526 31.700 -0.197 0.000 0.864 324 E N 0.806 120.976 120.200 -0.050 0.000 2.383 324 E HA 0.491 4.860 4.350 0.031 0.000 0.264 324 E C 0.352 176.949 176.600 -0.005 0.000 1.050 324 E CA 0.076 56.475 56.400 -0.003 0.000 0.896 324 E CB 0.406 30.110 29.700 0.008 0.000 0.982 324 E HN 0.765 nan 8.360 nan 0.000 0.424 325 G N 2.104 110.909 108.800 0.008 0.000 2.521 325 G HA2 -0.117 3.861 3.960 0.031 0.000 0.589 325 G HA3 -0.117 3.861 3.960 0.031 0.000 0.589 325 G C -1.030 173.886 174.900 0.026 0.000 1.501 325 G CA -1.136 43.976 45.100 0.020 0.000 0.887 325 G HN 0.381 nan 8.290 nan 0.000 0.654 326 N N 0.563 119.276 118.700 0.022 0.000 2.492 326 N HA 0.420 5.179 4.740 0.031 0.000 0.260 326 N C 0.562 176.172 175.510 0.166 0.000 1.215 326 N CA -0.003 53.054 53.050 0.012 0.000 0.923 326 N CB 0.145 38.648 38.487 0.026 0.000 1.092 326 N HN 0.281 nan 8.380 nan 0.000 0.448 327 F N 0.770 120.721 119.950 0.002 0.000 2.490 327 F HA 0.131 4.676 4.527 0.030 0.000 0.336 327 F C 1.184 177.064 175.800 0.134 0.000 1.178 327 F CA -0.138 57.881 58.000 0.032 0.000 1.301 327 F CB 0.088 39.079 39.000 -0.014 0.000 1.175 327 F HN 0.287 nan 8.300 nan 0.000 0.593 328 E N 1.794 122.217 120.200 0.372 0.000 2.216 328 E HA 0.248 4.616 4.350 0.031 0.000 0.260 328 E C -1.296 175.411 176.600 0.178 0.000 0.880 328 E CA -1.171 55.374 56.400 0.241 0.000 0.765 328 E CB 2.440 32.219 29.700 0.132 0.000 1.174 328 E HN 0.311 nan 8.360 nan 0.000 0.417 329 L N 4.360 125.609 121.223 0.044 0.000 2.534 329 L HA -0.031 4.328 4.340 0.031 0.000 0.271 329 L C 0.233 177.008 176.870 -0.158 0.000 1.178 329 L CA 0.778 55.398 54.840 -0.366 0.000 0.907 329 L CB 0.733 42.593 42.059 -0.332 0.000 1.164 329 L HN 0.524 nan 8.230 nan 0.000 0.482 330 V N 5.256 125.095 119.914 -0.126 0.000 2.521 330 V HA 0.240 4.378 4.120 0.031 0.000 0.239 330 V C 0.366 176.412 176.094 -0.080 0.000 1.053 330 V CA 0.848 63.116 62.300 -0.052 0.000 1.073 330 V CB 0.679 32.497 31.823 -0.008 0.000 0.746 330 V HN 0.605 nan 8.190 nan 0.000 0.476 331 V N -0.977 118.898 119.914 -0.065 0.000 3.087 331 V HA 0.810 4.949 4.120 0.031 0.000 0.306 331 V C -0.330 175.738 176.094 -0.043 0.000 1.187 331 V CA 0.362 62.629 62.300 -0.055 0.000 0.999 331 V CB 1.369 33.159 31.823 -0.055 0.000 1.049 331 V HN 0.919 nan 8.190 nan 0.000 0.431 332 G N 3.717 112.497 108.800 -0.034 0.000 2.592 332 G HA2 -0.025 3.954 3.960 0.031 0.000 0.684 332 G HA3 -0.025 3.954 3.960 0.031 0.000 0.684 332 G C -0.886 174.003 174.900 -0.018 0.000 1.291 332 G CA -0.371 44.721 45.100 -0.012 0.000 0.891 332 G HN 0.906 nan 8.290 nan 0.000 0.544 333 E N 1.410 121.616 120.200 0.011 0.000 2.373 333 E HA 0.332 4.701 4.350 0.031 0.000 0.267 333 E C -1.657 174.972 176.600 0.048 0.000 1.032 333 E CA -1.054 55.361 56.400 0.025 0.000 0.889 333 E CB 0.785 30.507 29.700 0.036 0.000 0.984 333 E HN 0.384 nan 8.360 nan 0.000 0.425 334 P HA 0.053 nan 4.420 nan 0.000 0.269 334 P C 0.086 177.495 177.300 0.182 0.000 1.209 334 P CA 0.029 63.216 63.100 0.146 0.000 0.776 334 P CB 0.610 32.385 31.700 0.125 0.000 0.876 335 L N 1.382 122.774 121.223 0.283 0.000 2.464 335 L HA 0.126 4.484 4.340 0.031 0.000 0.264 335 L C 1.550 178.487 176.870 0.111 0.000 1.199 335 L CA -0.288 54.657 54.840 0.175 0.000 0.818 335 L CB 0.077 42.228 42.059 0.152 0.000 1.102 335 L HN 0.497 nan 8.230 nan 0.000 0.473 336 S N -0.055 115.687 115.700 0.070 0.000 2.596 336 S HA -0.006 4.483 4.470 0.031 0.000 0.260 336 S C 0.845 175.462 174.600 0.029 0.000 1.336 336 S CA -0.340 57.887 58.200 0.044 0.000 0.993 336 S CB 1.181 64.400 63.200 0.031 0.000 0.923 336 S HN 0.682 nan 8.310 nan 0.000 0.567 337 E N 0.987 121.196 120.200 0.015 0.000 2.085 337 E HA -0.148 4.221 4.350 0.031 0.000 0.194 337 E C 2.113 178.706 176.600 -0.012 0.000 0.994 337 E CA 1.855 58.253 56.400 -0.003 0.000 0.801 337 E CB -0.495 29.200 29.700 -0.008 0.000 0.743 337 E HN 0.563 nan 8.360 nan 0.000 0.453 338 K N 0.162 120.557 120.400 -0.007 0.000 2.032 338 K HA -0.169 4.170 4.320 0.031 0.000 0.209 338 K C 2.073 178.670 176.600 -0.004 0.000 1.048 338 K CA 1.911 58.190 56.287 -0.012 0.000 0.927 338 K CB -0.509 31.985 32.500 -0.010 0.000 0.712 338 K HN 0.499 nan 8.250 nan 0.000 0.441 339 E N -0.348 119.858 120.200 0.009 0.000 2.152 339 E HA -0.083 4.285 4.350 0.031 0.000 0.192 339 E C 2.027 178.633 176.600 0.010 0.000 0.983 339 E CA 1.154 57.568 56.400 0.022 0.000 0.818 339 E CB -0.132 29.592 29.700 0.039 0.000 0.758 339 E HN 0.223 nan 8.360 nan 0.000 0.467 340 L N 1.528 122.741 121.223 -0.018 0.000 2.141 340 L HA -0.139 4.219 4.340 0.031 0.000 0.209 340 L C 1.784 178.633 176.870 -0.036 0.000 1.094 340 L CA 1.717 56.515 54.840 -0.071 0.000 0.763 340 L CB -0.071 41.930 42.059 -0.097 0.000 0.908 340 L HN 0.008 nan 8.230 nan 0.000 0.437 341 E N -0.593 119.593 120.200 -0.022 0.000 2.110 341 E HA -0.218 4.151 4.350 0.031 0.000 0.193 341 E C 1.689 178.327 176.600 0.064 0.000 0.988 341 E CA 1.227 57.623 56.400 -0.006 0.000 0.804 341 E CB -0.105 29.575 29.700 -0.033 0.000 0.745 341 E HN 0.529 nan 8.360 nan 0.000 0.458 342 D N 0.596 121.039 120.400 0.071 0.000 2.144 342 D HA -0.142 4.516 4.640 0.031 0.000 0.199 342 D C 1.905 178.340 176.300 0.225 0.000 0.984 342 D CA 0.617 54.714 54.000 0.162 0.000 0.834 342 D CB -0.119 40.748 40.800 0.112 0.000 0.955 342 D HN 0.064 nan 8.370 nan 0.000 0.465 343 L N 1.138 122.448 121.223 0.145 0.000 2.056 343 L HA -0.114 4.244 4.340 0.031 0.000 0.207 343 L C 1.966 179.028 176.870 0.319 0.000 1.078 343 L CA 1.649 56.589 54.840 0.166 0.000 0.749 343 L CB -0.254 41.842 42.059 0.061 0.000 0.901 343 L HN -0.047 nan 8.230 nan 0.000 0.433 344 E N -1.291 119.081 120.200 0.286 0.000 2.047 344 E HA -0.262 4.107 4.350 0.031 0.000 0.191 344 E C 2.028 178.786 176.600 0.264 0.000 0.987 344 E CA 1.461 58.019 56.400 0.264 0.000 0.799 344 E CB -0.371 29.312 29.700 -0.028 0.000 0.752 344 E HN 0.480 nan 8.360 nan 0.000 0.449 345 F N 1.858 121.841 119.950 0.055 0.000 2.065 345 F HA -0.278 4.269 4.527 0.033 0.000 0.298 345 F C 2.173 178.008 175.800 0.058 0.000 1.112 345 F CA 1.685 59.695 58.000 0.018 0.000 1.212 345 F CB -0.598 38.401 39.000 -0.001 0.000 0.975 345 F HN -0.035 nan 8.300 nan 0.000 0.476 346 A N -0.670 122.111 122.820 -0.065 0.000 1.908 346 A HA -0.271 4.068 4.320 0.031 0.000 0.218 346 A C 2.183 179.754 177.584 -0.022 0.000 1.181 346 A CA 1.825 53.773 52.037 -0.148 0.000 0.627 346 A CB -1.744 17.278 19.000 0.036 0.000 0.818 346 A HN 0.607 nan 8.150 nan 0.000 0.445 347 Y N 0.188 120.512 120.300 0.039 0.000 2.242 347 Y HA -0.120 4.450 4.550 0.034 0.000 0.291 347 Y C 2.551 178.558 175.900 0.179 0.000 1.137 347 Y CA 1.694 59.874 58.100 0.134 0.000 1.181 347 Y CB -0.251 38.401 38.460 0.320 0.000 0.989 347 Y HN 0.261 nan 8.280 nan 0.000 0.527 348 R N -1.119 119.431 120.500 0.083 0.000 2.096 348 R HA -0.132 4.227 4.340 0.031 0.000 0.235 348 R C 2.106 178.291 176.300 -0.192 0.000 1.127 348 R CA 1.614 57.589 56.100 -0.207 0.000 0.968 348 R CB -0.466 29.610 30.300 -0.373 0.000 0.861 348 R HN 0.214 nan 8.270 nan 0.000 0.440 349 V N -0.124 119.622 119.914 -0.280 0.000 2.379 349 V HA -0.154 3.985 4.120 0.031 0.000 0.245 349 V C 2.123 178.105 176.094 -0.186 0.000 1.044 349 V CA 1.277 63.415 62.300 -0.269 0.000 1.036 349 V CB -0.184 31.375 31.823 -0.440 0.000 0.664 349 V HN 0.165 nan 8.190 nan 0.000 0.453 350 V N 0.278 120.073 119.914 -0.198 0.000 2.759 350 V HA -0.191 3.947 4.120 0.031 0.000 0.256 350 V C 2.637 178.605 176.094 -0.210 0.000 1.080 350 V CA 2.010 64.198 62.300 -0.187 0.000 1.101 350 V CB -0.222 31.494 31.823 -0.179 0.000 0.698 350 V HN 0.651 nan 8.190 nan 0.000 0.477 351 E N 0.612 120.680 120.200 -0.220 0.000 2.085 351 E HA -0.199 4.170 4.350 0.031 0.000 0.194 351 E C 2.059 178.601 176.600 -0.096 0.000 0.994 351 E CA 1.809 58.123 56.400 -0.143 0.000 0.801 351 E CB -0.456 29.273 29.700 0.048 0.000 0.743 351 E HN 0.618 nan 8.360 nan 0.000 0.453 352 G N 0.457 109.215 108.800 -0.069 0.000 2.623 352 G HA2 0.142 4.121 3.960 0.031 0.000 0.214 352 G HA3 0.142 4.121 3.960 0.031 0.000 0.214 352 G C 0.645 175.504 174.900 -0.068 0.000 1.138 352 G CA 0.397 45.461 45.100 -0.059 0.000 0.794 352 G HN 0.409 nan 8.290 nan 0.000 0.535 353 A N 0.883 123.655 122.820 -0.081 0.000 2.477 353 A HA 0.461 4.800 4.320 0.031 0.000 0.246 353 A C 0.453 177.987 177.584 -0.083 0.000 1.078 353 A CA -0.299 51.696 52.037 -0.070 0.000 0.770 353 A CB 0.414 19.371 19.000 -0.072 0.000 1.011 353 A HN 0.118 nan 8.150 nan 0.000 0.494 354 K N 2.111 122.471 120.400 -0.066 0.000 2.448 354 K HA 0.145 4.484 4.320 0.031 0.000 0.278 354 K C 0.249 176.773 176.600 -0.128 0.000 1.009 354 K CA 0.315 56.548 56.287 -0.090 0.000 0.995 354 K CB 0.575 33.055 32.500 -0.034 0.000 0.917 354 K HN 0.676 nan 8.250 nan 0.000 0.481 355 S N 2.340 117.879 115.700 -0.269 0.000 2.601 355 S HA 0.166 4.655 4.470 0.031 0.000 0.271 355 S C 0.284 174.780 174.600 -0.173 0.000 1.305 355 S CA -0.806 57.212 58.200 -0.303 0.000 1.022 355 S CB 0.535 63.297 63.200 -0.730 0.000 0.940 355 S HN 0.404 nan 8.310 nan 0.000 0.525 356 N N 1.686 120.339 118.700 -0.078 0.000 2.492 356 N HA 0.410 5.169 4.740 0.031 0.000 0.262 356 N C -0.449 175.059 175.510 -0.004 0.000 1.202 356 N CA 0.117 53.157 53.050 -0.016 0.000 0.926 356 N CB 0.829 39.345 38.487 0.048 0.000 1.078 356 N HN 0.704 nan 8.380 nan 0.000 0.454 357 A N 1.583 124.399 122.820 -0.006 0.000 2.393 357 A HA 0.689 5.028 4.320 0.031 0.000 0.306 357 A C -0.852 176.730 177.584 -0.003 0.000 1.050 357 A CA -0.585 51.445 52.037 -0.013 0.000 0.724 357 A CB 1.267 20.238 19.000 -0.047 0.000 1.248 357 A HN 0.351 nan 8.150 nan 0.000 0.424 358 V N 2.539 122.466 119.914 0.021 0.000 2.709 358 V HA 0.673 4.812 4.120 0.031 0.000 0.308 358 V C -0.630 175.481 176.094 0.027 0.000 1.062 358 V CA -0.442 61.885 62.300 0.046 0.000 0.901 358 V CB 1.679 33.575 31.823 0.123 0.000 1.003 358 V HN 0.960 nan 8.190 nan 0.000 0.425 359 L N 5.277 126.513 121.223 0.022 0.000 2.409 359 L HA 0.770 5.129 4.340 0.031 0.000 0.262 359 L C -1.617 175.267 176.870 0.023 0.000 0.992 359 L CA -0.471 54.370 54.840 0.001 0.000 0.817 359 L CB 2.235 44.266 42.059 -0.046 0.000 1.350 359 L HN 0.617 nan 8.230 nan 0.000 0.411 360 I N 3.768 124.352 120.570 0.024 0.000 2.498 360 I HA 0.805 4.993 4.170 0.031 0.000 0.290 360 I C -0.428 175.722 176.117 0.056 0.000 1.032 360 I CA -0.472 60.854 61.300 0.044 0.000 1.073 360 I CB 1.950 39.976 38.000 0.043 0.000 1.251 360 I HN 0.746 nan 8.210 nan 0.000 0.426 361 A N 5.695 128.567 122.820 0.086 0.000 2.556 361 A HA 0.912 5.250 4.320 0.031 0.000 0.294 361 A C -1.203 176.460 177.584 0.132 0.000 1.091 361 A CA -0.672 51.452 52.037 0.144 0.000 0.704 361 A CB 2.368 21.511 19.000 0.238 0.000 1.300 361 A HN 0.687 nan 8.150 nan 0.000 0.406 362 K N 0.739 121.216 120.400 0.129 0.000 2.557 362 K HA 0.444 4.783 4.320 0.031 0.000 0.257 362 K C -1.412 175.218 176.600 0.050 0.000 0.933 362 K CA -0.368 55.968 56.287 0.081 0.000 0.820 362 K CB 1.157 33.692 32.500 0.058 0.000 1.330 362 K HN 0.628 nan 8.250 nan 0.000 0.432 363 D N 2.801 123.212 120.400 0.018 0.000 2.723 363 D HA -0.172 4.487 4.640 0.031 0.000 0.236 363 D C 0.533 176.786 176.300 -0.079 0.000 1.138 363 D CA 2.086 56.071 54.000 -0.025 0.000 0.676 363 D CB -1.203 39.589 40.800 -0.014 0.000 1.069 363 D HN 1.093 nan 8.370 nan 0.000 0.430 364 G N -1.781 106.935 108.800 -0.141 0.000 2.148 364 G HA2 -0.136 3.843 3.960 0.031 0.000 0.254 364 G HA3 -0.136 3.843 3.960 0.031 0.000 0.254 364 G C 0.345 175.004 174.900 -0.401 0.000 0.981 364 G CA 0.960 45.816 45.100 -0.408 0.000 0.670 364 G HN 1.422 nan 8.290 nan 0.000 0.528 365 V N -2.102 117.795 119.914 -0.028 0.000 2.841 365 V HA 0.911 5.050 4.120 0.031 0.000 0.310 365 V C 0.343 176.623 176.094 0.310 0.000 1.090 365 V CA 0.069 62.461 62.300 0.153 0.000 0.930 365 V CB 1.684 33.546 31.823 0.065 0.000 1.014 365 V HN 1.300 nan 8.190 nan 0.000 0.425 366 T N 1.409 116.155 114.554 0.320 0.000 2.930 366 T HA 0.421 4.790 4.350 0.031 0.000 0.306 366 T C 0.904 175.665 174.700 0.101 0.000 1.045 366 T CA 0.357 62.555 62.100 0.164 0.000 1.134 366 T CB 1.266 70.175 68.868 0.070 0.000 0.961 366 T HN 1.974 nan 8.240 nan 0.000 0.545 367 V N -0.808 119.148 119.914 0.070 0.000 3.548 367 V HA 0.660 4.799 4.120 0.031 0.000 0.279 367 V C 0.613 176.720 176.094 0.023 0.000 1.446 367 V CA 0.351 62.678 62.300 0.045 0.000 1.023 367 V CB -0.017 31.833 31.823 0.045 0.000 0.820 367 V HN 1.291 nan 8.190 nan 0.000 0.438 368 G N 0.721 109.530 108.800 0.015 0.000 2.728 368 G HA2 0.676 4.655 3.960 0.031 0.000 0.294 368 G HA3 0.676 4.655 3.960 0.031 0.000 0.294 368 G C -1.515 173.379 174.900 -0.010 0.000 1.398 368 G CA -0.512 44.584 45.100 -0.006 0.000 1.183 368 G HN 0.215 nan 8.290 nan 0.000 0.578 369 I N 1.698 122.255 120.570 -0.021 0.000 2.436 369 I HA 0.607 4.796 4.170 0.031 0.000 0.289 369 I C 0.490 176.589 176.117 -0.029 0.000 1.010 369 I CA -0.916 60.371 61.300 -0.022 0.000 1.098 369 I CB 2.553 40.540 38.000 -0.022 0.000 1.266 369 I HN 0.568 nan 8.210 nan 0.000 0.434 370 G N 3.698 112.488 108.800 -0.017 0.000 2.487 370 G HA2 0.676 4.655 3.960 0.031 0.000 0.314 370 G HA3 0.676 4.655 3.960 0.031 0.000 0.314 370 G C -0.702 174.201 174.900 0.005 0.000 1.267 370 G CA -0.315 44.779 45.100 -0.011 0.000 0.937 370 G HN 0.654 nan 8.290 nan 0.000 0.481 371 S N 0.395 116.098 115.700 0.004 0.000 2.607 371 S HA 0.732 5.220 4.470 0.031 0.000 0.273 371 S C 0.622 175.228 174.600 0.009 0.000 1.148 371 S CA 0.047 58.247 58.200 -0.001 0.000 0.833 371 S CB 1.558 64.750 63.200 -0.013 0.000 1.130 371 S HN 2.350 nan 8.310 nan 0.000 0.470 372 G N 0.611 109.409 108.800 -0.002 0.000 2.179 372 G HA2 -0.179 3.800 3.960 0.031 0.000 0.257 372 G HA3 -0.179 3.800 3.960 0.031 0.000 0.257 372 G C -0.264 174.652 174.900 0.027 0.000 1.010 372 G CA 0.267 45.373 45.100 0.009 0.000 0.736 372 G HN 0.742 nan 8.290 nan 0.000 0.513 373 Q N -0.640 119.181 119.800 0.034 0.000 2.230 373 Q HA 0.406 4.765 4.340 0.031 0.000 0.253 373 Q C -1.325 174.707 176.000 0.053 0.000 0.919 373 Q CA -1.899 53.941 55.803 0.062 0.000 0.908 373 Q CB 2.034 30.830 28.738 0.096 0.000 1.245 373 Q HN 0.278 nan 8.270 nan 0.000 0.437 374 P HA -0.049 nan 4.420 nan 0.000 0.236 374 P C -0.006 177.335 177.300 0.068 0.000 1.177 374 P CA 0.603 63.734 63.100 0.051 0.000 0.773 374 P CB 0.639 32.367 31.700 0.047 0.000 0.878 375 S N -1.710 114.045 115.700 0.092 0.000 2.599 375 S HA 0.517 5.005 4.470 0.031 0.000 0.287 375 S C 0.832 175.518 174.600 0.144 0.000 1.105 375 S CA -0.778 57.495 58.200 0.121 0.000 0.899 375 S CB 2.693 65.965 63.200 0.120 0.000 1.100 375 S HN -0.213 nan 8.310 nan 0.000 0.482 376 R N 1.404 122.011 120.500 0.178 0.000 2.115 376 R HA 0.122 4.481 4.340 0.031 0.000 0.226 376 R C 2.104 178.549 176.300 0.241 0.000 1.100 376 R CA 1.712 57.932 56.100 0.201 0.000 0.980 376 R CB -0.368 30.073 30.300 0.235 0.000 0.875 376 R HN 0.787 nan 8.270 nan 0.000 0.445 377 K N -0.069 120.472 120.400 0.235 0.000 2.097 377 K HA -0.122 4.217 4.320 0.031 0.000 0.206 377 K C 1.877 178.618 176.600 0.234 0.000 1.049 377 K CA 1.201 57.618 56.287 0.218 0.000 0.933 377 K CB 0.062 32.652 32.500 0.150 0.000 0.717 377 K HN 0.102 nan 8.250 nan 0.000 0.442 378 R N 0.090 120.720 120.500 0.216 0.000 2.075 378 R HA -0.065 4.294 4.340 0.031 0.000 0.232 378 R C 2.375 178.865 176.300 0.317 0.000 1.126 378 R CA 1.177 57.459 56.100 0.303 0.000 0.963 378 R CB -0.604 29.836 30.300 0.232 0.000 0.858 378 R HN 0.264 nan 8.270 nan 0.000 0.435 379 A N 1.629 124.576 122.820 0.210 0.000 1.883 379 A HA -0.153 4.186 4.320 0.031 0.000 0.217 379 A C 2.450 180.131 177.584 0.160 0.000 1.186 379 A CA 2.038 54.167 52.037 0.152 0.000 0.624 379 A CB -0.659 18.410 19.000 0.115 0.000 0.822 379 A HN 0.377 nan 8.150 nan 0.000 0.444 380 A N -1.524 121.425 122.820 0.215 0.000 1.902 380 A HA -0.160 4.179 4.320 0.031 0.000 0.217 380 A C 1.982 179.690 177.584 0.207 0.000 1.181 380 A CA 1.726 53.890 52.037 0.213 0.000 0.623 380 A CB -0.952 18.199 19.000 0.251 0.000 0.818 380 A HN 0.930 nan 8.150 nan 0.000 0.443 381 W N 0.762 122.105 121.300 0.072 0.000 2.333 381 W HA -0.190 4.488 4.660 0.030 0.000 0.316 381 W C 1.738 178.285 176.519 0.046 0.000 1.215 381 W CA 1.948 59.325 57.345 0.053 0.000 1.278 381 W CB -0.523 28.966 29.460 0.047 0.000 1.154 381 W HN 0.291 nan 8.180 nan 0.000 0.486 382 I N 0.988 121.408 120.570 -0.250 0.000 2.226 382 I HA -0.308 3.881 4.170 0.031 0.000 0.245 382 I C 2.676 178.637 176.117 -0.260 0.000 1.100 382 I CA 1.570 62.590 61.300 -0.468 0.000 1.374 382 I CB -1.159 36.695 38.000 -0.244 0.000 1.057 382 I HN 0.127 nan 8.210 nan 0.000 0.413 383 A N 0.990 123.750 122.820 -0.100 0.000 1.892 383 A HA -0.285 4.054 4.320 0.031 0.000 0.218 383 A C 2.472 180.020 177.584 -0.061 0.000 1.188 383 A CA 2.846 54.852 52.037 -0.050 0.000 0.631 383 A CB -1.357 17.651 19.000 0.014 0.000 0.822 383 A HN 0.543 nan 8.150 nan 0.000 0.447 384 T N -2.711 111.811 114.554 -0.054 0.000 2.821 384 T HA -0.081 4.288 4.350 0.031 0.000 0.267 384 T C 1.697 176.347 174.700 -0.084 0.000 1.046 384 T CA 1.411 63.492 62.100 -0.032 0.000 1.139 384 T CB -0.821 68.065 68.868 0.029 0.000 0.871 384 T HN 0.078 nan 8.240 nan 0.000 0.454 385 V N 1.702 121.493 119.914 -0.205 0.000 2.332 385 V HA -0.148 3.991 4.120 0.031 0.000 0.248 385 V C 2.865 178.873 176.094 -0.143 0.000 1.055 385 V CA 1.760 63.928 62.300 -0.220 0.000 1.038 385 V CB -0.695 30.857 31.823 -0.452 0.000 0.651 385 V HN 0.419 nan 8.190 nan 0.000 0.450 386 M N -0.269 119.245 119.600 -0.145 0.000 2.175 386 M HA -0.053 4.446 4.480 0.031 0.000 0.264 386 M C 2.361 178.634 176.300 -0.044 0.000 1.063 386 M CA 2.057 57.305 55.300 -0.086 0.000 1.119 386 M CB -1.456 31.096 32.600 -0.079 0.000 1.377 386 M HN 0.409 nan 8.290 nan 0.000 0.415 387 A N -0.176 122.623 122.820 -0.035 0.000 1.929 387 A HA 0.277 4.616 4.320 0.031 0.000 0.216 387 A C 1.799 179.382 177.584 -0.003 0.000 1.176 387 A CA 1.584 53.616 52.037 -0.008 0.000 0.628 387 A CB -1.068 17.935 19.000 0.004 0.000 0.816 387 A HN 0.534 nan 8.150 nan 0.000 0.444 388 G N 0.439 109.233 108.800 -0.010 0.000 2.634 388 G HA2 -0.466 3.513 3.960 0.031 0.000 0.309 388 G HA3 -0.466 3.513 3.960 0.031 0.000 0.309 388 G C 0.826 175.733 174.900 0.012 0.000 1.265 388 G CA 1.131 46.232 45.100 0.001 0.000 0.998 388 G HN 1.034 nan 8.290 nan 0.000 0.551 389 E N 0.620 120.828 120.200 0.014 0.000 2.338 389 E HA -0.004 4.365 4.350 0.031 0.000 0.197 389 E C 2.062 178.674 176.600 0.020 0.000 1.007 389 E CA 1.290 57.701 56.400 0.018 0.000 0.849 389 E CB -0.165 29.545 29.700 0.017 0.000 0.774 389 E HN 0.620 nan 8.360 nan 0.000 0.506 390 K N 0.540 120.952 120.400 0.019 0.000 2.362 390 K HA 0.007 4.346 4.320 0.031 0.000 0.200 390 K C 2.013 178.630 176.600 0.029 0.000 1.046 390 K CA 0.765 57.066 56.287 0.024 0.000 0.952 390 K CB 0.008 32.522 32.500 0.024 0.000 0.753 390 K HN 0.223 nan 8.250 nan 0.000 0.466 391 A N 1.774 124.610 122.820 0.028 0.000 2.066 391 A HA -0.102 4.237 4.320 0.031 0.000 0.218 391 A C 1.009 178.615 177.584 0.035 0.000 1.157 391 A CA 0.459 52.516 52.037 0.033 0.000 0.670 391 A CB -0.160 18.859 19.000 0.032 0.000 0.804 391 A HN 0.128 nan 8.150 nan 0.000 0.453 392 K N 0.227 120.645 120.400 0.031 0.000 2.395 392 K HA 0.269 4.607 4.320 0.031 0.000 0.283 392 K C 0.960 177.579 176.600 0.032 0.000 1.068 392 K CA 0.754 57.059 56.287 0.030 0.000 1.039 392 K CB -0.394 32.121 32.500 0.026 0.000 0.924 392 K HN 0.669 nan 8.250 nan 0.000 0.468 393 G N 2.165 110.986 108.800 0.036 0.000 2.176 393 G HA2 -0.286 3.692 3.960 0.031 0.000 0.253 393 G HA3 -0.286 3.692 3.960 0.031 0.000 0.253 393 G C 0.137 175.064 174.900 0.044 0.000 0.979 393 G CA 0.145 45.268 45.100 0.038 0.000 0.641 393 G HN 0.883 nan 8.290 nan 0.000 0.530 394 A N -0.810 122.039 122.820 0.047 0.000 2.240 394 A HA 0.951 5.290 4.320 0.031 0.000 0.292 394 A C 0.723 178.344 177.584 0.062 0.000 1.121 394 A CA 0.258 52.328 52.037 0.056 0.000 0.851 394 A CB 1.065 20.098 19.000 0.055 0.000 1.167 394 A HN 1.878 nan 8.150 nan 0.000 0.503 395 V N -3.389 116.568 119.914 0.072 0.000 2.919 395 V HA 0.946 5.085 4.120 0.031 0.000 0.316 395 V C -0.079 176.059 176.094 0.073 0.000 1.077 395 V CA -0.233 62.111 62.300 0.073 0.000 0.977 395 V CB 1.176 33.046 31.823 0.077 0.000 1.039 395 V HN 1.829 nan 8.190 nan 0.000 0.441 396 A N 2.062 124.922 122.820 0.068 0.000 2.454 396 A HA 1.047 5.386 4.320 0.031 0.000 0.302 396 A C -0.295 177.329 177.584 0.067 0.000 1.079 396 A CA -0.360 51.721 52.037 0.074 0.000 0.731 396 A CB 1.790 20.849 19.000 0.098 0.000 1.299 396 A HN 2.403 nan 8.150 nan 0.000 0.413 397 A N 0.337 123.200 122.820 0.072 0.000 2.371 397 A HA 0.817 5.156 4.320 0.031 0.000 0.311 397 A C -0.327 177.288 177.584 0.052 0.000 1.068 397 A CA -0.172 51.916 52.037 0.084 0.000 0.744 397 A CB 1.482 20.567 19.000 0.142 0.000 1.239 397 A HN 1.689 nan 8.150 nan 0.000 0.435 398 S N 0.497 116.194 115.700 -0.005 0.000 2.502 398 S HA 0.442 4.931 4.470 0.031 0.000 0.304 398 S C 0.386 174.925 174.600 -0.101 0.000 1.097 398 S CA -0.132 57.985 58.200 -0.138 0.000 1.045 398 S CB 1.123 63.996 63.200 -0.545 0.000 1.019 398 S HN 0.769 nan 8.310 nan 0.000 0.481 399 D N 3.392 123.715 120.400 -0.128 0.000 2.347 399 D HA 0.219 4.877 4.640 0.031 0.000 0.215 399 D C 0.515 176.680 176.300 -0.225 0.000 0.976 399 D CA 0.455 54.356 54.000 -0.166 0.000 0.884 399 D CB 0.015 40.731 40.800 -0.140 0.000 0.915 399 D HN 0.525 nan 8.370 nan 0.000 0.526 400 A N -0.442 122.216 122.820 -0.270 0.000 2.564 400 A HA 0.572 4.911 4.320 0.031 0.000 0.288 400 A C -0.716 176.646 177.584 -0.371 0.000 1.164 400 A CA -1.041 50.736 52.037 -0.433 0.000 0.712 400 A CB 0.454 19.037 19.000 -0.695 0.000 1.303 400 A HN 0.141 nan 8.150 nan 0.000 0.418 401 F N -0.663 119.156 119.950 -0.218 0.000 2.595 401 F HA 0.542 5.089 4.527 0.034 0.000 0.359 401 F C -0.599 175.104 175.800 -0.162 0.000 1.147 401 F CA -0.942 56.957 58.000 -0.169 0.000 1.341 401 F CB -0.595 38.371 39.000 -0.056 0.000 1.104 401 F HN 0.251 nan 8.300 nan 0.000 0.603 402 F N 4.420 124.613 119.950 0.405 0.000 2.502 402 F HA 0.235 4.782 4.527 0.033 0.000 0.371 402 F C -1.241 174.750 175.800 0.318 0.000 1.083 402 F CA -1.849 56.338 58.000 0.311 0.000 1.174 402 F CB 0.030 39.188 39.000 0.264 0.000 1.096 402 F HN 0.384 nan 8.300 nan 0.000 0.545 403 P HA -0.051 nan 4.420 nan 0.000 0.222 403 P C -0.327 176.690 177.300 -0.472 0.000 1.153 403 P CA 1.204 64.317 63.100 0.021 0.000 0.798 403 P CB 0.318 32.008 31.700 -0.017 0.000 0.796 404 F N -1.884 118.205 119.950 0.232 0.000 2.626 404 F HA 0.405 4.951 4.527 0.031 0.000 0.311 404 F C -1.791 174.078 175.800 0.115 0.000 1.088 404 F CA -2.547 55.536 58.000 0.137 0.000 0.949 404 F CB 0.701 39.765 39.000 0.108 0.000 1.322 404 F HN -0.407 nan 8.300 nan 0.000 0.461 405 P HA -0.114 nan 4.420 nan 0.000 0.225 405 P C 0.796 178.138 177.300 0.070 0.000 1.148 405 P CA 1.295 64.455 63.100 0.101 0.000 0.779 405 P CB -0.043 31.697 31.700 0.067 0.000 0.780 406 D N -0.076 120.402 120.400 0.129 0.000 2.123 406 D HA -0.175 4.484 4.640 0.031 0.000 0.196 406 D C 1.530 177.869 176.300 0.065 0.000 0.992 406 D CA 1.879 55.926 54.000 0.078 0.000 0.833 406 D CB -1.387 39.451 40.800 0.063 0.000 0.954 406 D HN 0.171 nan 8.370 nan 0.000 0.455 407 S N 0.222 115.985 115.700 0.106 0.000 2.383 407 S HA -0.131 4.357 4.470 0.031 0.000 0.229 407 S C 1.911 176.451 174.600 -0.100 0.000 1.030 407 S CA 0.669 58.928 58.200 0.098 0.000 1.002 407 S CB -0.571 62.822 63.200 0.321 0.000 0.829 407 S HN 0.149 nan 8.310 nan 0.000 0.467 408 L N 2.002 123.059 121.223 -0.277 0.000 2.093 408 L HA 0.009 4.367 4.340 0.031 0.000 0.208 408 L C 2.395 179.200 176.870 -0.108 0.000 1.085 408 L CA 1.608 56.259 54.840 -0.314 0.000 0.755 408 L CB -0.797 41.072 42.059 -0.316 0.000 0.904 408 L HN 0.297 nan 8.230 nan 0.000 0.435 409 E N -0.695 119.476 120.200 -0.047 0.000 2.110 409 E HA -0.230 4.139 4.350 0.031 0.000 0.193 409 E C 2.288 178.898 176.600 0.016 0.000 0.988 409 E CA 1.362 57.758 56.400 -0.007 0.000 0.804 409 E CB -0.161 29.543 29.700 0.007 0.000 0.745 409 E HN 0.505 nan 8.360 nan 0.000 0.458 410 I N 0.967 121.557 120.570 0.034 0.000 2.179 410 I HA -0.299 3.890 4.170 0.031 0.000 0.242 410 I C 2.328 178.484 176.117 0.065 0.000 1.088 410 I CA 1.108 62.453 61.300 0.075 0.000 1.357 410 I CB -0.198 37.877 38.000 0.125 0.000 1.051 410 I HN 0.112 nan 8.210 nan 0.000 0.409 411 L N 0.334 121.581 121.223 0.040 0.000 2.046 411 L HA -0.185 4.173 4.340 0.031 0.000 0.208 411 L C 2.819 179.707 176.870 0.029 0.000 1.077 411 L CA 1.384 56.247 54.840 0.038 0.000 0.747 411 L CB -0.767 41.307 42.059 0.025 0.000 0.896 411 L HN 0.231 nan 8.230 nan 0.000 0.432 412 A N -0.551 122.277 122.820 0.014 0.000 1.898 412 A HA -0.261 4.078 4.320 0.031 0.000 0.216 412 A C 2.266 179.866 177.584 0.027 0.000 1.181 412 A CA 1.624 53.672 52.037 0.019 0.000 0.620 412 A CB -0.560 18.447 19.000 0.011 0.000 0.819 412 A HN 0.471 nan 8.150 nan 0.000 0.442 413 Q N -0.495 119.322 119.800 0.030 0.000 2.181 413 Q HA -0.119 4.240 4.340 0.031 0.000 0.205 413 Q C 1.933 177.956 176.000 0.039 0.000 0.980 413 Q CA 1.416 57.240 55.803 0.034 0.000 0.862 413 Q CB -0.317 28.445 28.738 0.040 0.000 0.905 413 Q HN 0.616 nan 8.270 nan 0.000 0.429 414 A N -0.542 122.304 122.820 0.044 0.000 2.168 414 A HA 0.180 4.518 4.320 0.031 0.000 0.215 414 A C 1.515 179.120 177.584 0.036 0.000 1.152 414 A CA 1.030 53.093 52.037 0.042 0.000 0.716 414 A CB -0.410 18.618 19.000 0.046 0.000 0.794 414 A HN 0.652 nan 8.150 nan 0.000 0.465 415 G N -1.953 106.868 108.800 0.035 0.000 2.144 415 G HA2 -0.168 3.811 3.960 0.031 0.000 0.218 415 G HA3 -0.168 3.811 3.960 0.031 0.000 0.218 415 G C 0.135 175.057 174.900 0.037 0.000 0.988 415 G CA -0.039 45.081 45.100 0.033 0.000 0.659 415 G HN 0.729 nan 8.290 nan 0.000 0.522 416 V N 1.680 121.617 119.914 0.040 0.000 2.585 416 V HA 0.271 4.410 4.120 0.031 0.000 0.296 416 V C 1.711 177.833 176.094 0.046 0.000 1.035 416 V CA 1.318 63.645 62.300 0.045 0.000 1.084 416 V CB 1.383 33.235 31.823 0.048 0.000 0.953 416 V HN 0.642 nan 8.190 nan 0.000 0.483 417 K N 3.786 124.218 120.400 0.054 0.000 2.334 417 K HA 0.555 4.893 4.320 0.031 0.000 0.195 417 K C 0.399 177.044 176.600 0.076 0.000 1.045 417 K CA 0.616 56.939 56.287 0.059 0.000 1.004 417 K CB 0.674 33.210 32.500 0.059 0.000 0.837 417 K HN 0.674 nan 8.250 nan 0.000 0.510 418 A N 1.091 123.960 122.820 0.081 0.000 2.566 418 A HA 0.532 4.870 4.320 0.031 0.000 0.297 418 A C -1.179 176.446 177.584 0.068 0.000 1.059 418 A CA -0.586 51.513 52.037 0.104 0.000 0.691 418 A CB 1.843 20.939 19.000 0.159 0.000 1.282 418 A HN 0.247 nan 8.150 nan 0.000 0.401 419 V N -0.690 119.238 119.914 0.023 0.000 2.962 419 V HA 0.947 5.086 4.120 0.031 0.000 0.313 419 V C -0.867 175.088 176.094 -0.231 0.000 1.099 419 V CA -0.812 61.451 62.300 -0.062 0.000 0.971 419 V CB 1.286 33.088 31.823 -0.035 0.000 1.028 419 V HN 1.670 nan 8.190 nan 0.000 0.430 420 V N 2.951 122.708 119.914 -0.260 0.000 2.604 420 V HA 1.027 5.166 4.120 0.031 0.000 0.305 420 V C 0.019 175.849 176.094 -0.441 0.000 1.043 420 V CA 0.463 62.471 62.300 -0.488 0.000 0.888 420 V CB 1.368 32.773 31.823 -0.695 0.000 0.995 420 V HN 2.079 nan 8.190 nan 0.000 0.429 421 A N 7.097 129.611 122.820 -0.510 0.000 2.608 421 A HA 0.924 5.263 4.320 0.031 0.000 0.292 421 A C -3.269 174.219 177.584 -0.160 0.000 1.066 421 A CA -1.260 50.601 52.037 -0.293 0.000 0.676 421 A CB 2.027 20.833 19.000 -0.323 0.000 1.277 421 A HN 0.606 nan 8.150 nan 0.000 0.413 422 P HA 0.486 nan 4.420 nan 0.000 0.272 422 P C -0.397 177.004 177.300 0.169 0.000 1.240 422 P CA -0.101 63.016 63.100 0.029 0.000 0.791 422 P CB 0.466 32.183 31.700 0.027 0.000 0.978 423 L N -0.181 121.124 121.223 0.135 0.000 2.492 423 L HA 0.673 5.032 4.340 0.031 0.000 0.263 423 L C 1.622 178.506 176.870 0.024 0.000 1.062 423 L CA 0.067 54.954 54.840 0.078 0.000 0.817 423 L CB 0.512 42.575 42.059 0.006 0.000 1.441 423 L HN 0.710 nan 8.230 nan 0.000 0.493 424 G N -0.558 108.122 108.800 -0.199 0.000 2.425 424 G HA2 -0.201 3.778 3.960 0.031 0.000 0.177 424 G HA3 -0.201 3.778 3.960 0.031 0.000 0.177 424 G C 0.155 174.576 174.900 -0.798 0.000 0.999 424 G CA 0.074 44.997 45.100 -0.295 0.000 0.723 424 G HN 0.520 nan 8.290 nan 0.000 0.491 425 S N 0.449 115.401 115.700 -1.247 0.000 2.580 425 S HA 0.464 4.953 4.470 0.031 0.000 0.274 425 S C 2.150 176.450 174.600 -0.501 0.000 1.329 425 S CA 0.065 57.575 58.200 -1.149 0.000 1.036 425 S CB 0.422 63.049 63.200 -0.954 0.000 0.919 425 S HN 1.018 nan 8.310 nan 0.000 0.515 426 I N 2.105 122.467 120.570 -0.347 0.000 2.700 426 I HA 0.022 4.210 4.170 0.031 0.000 0.261 426 I C 1.491 177.499 176.117 -0.183 0.000 1.219 426 I CA 1.109 62.286 61.300 -0.205 0.000 1.463 426 I CB -0.225 37.697 38.000 -0.130 0.000 1.092 426 I HN 0.492 nan 8.210 nan 0.000 0.452 427 R N 0.874 121.239 120.500 -0.226 0.000 2.515 427 R HA 0.133 4.492 4.340 0.031 0.000 0.294 427 R C 0.568 176.775 176.300 -0.155 0.000 1.021 427 R CA -0.158 55.846 56.100 -0.160 0.000 1.081 427 R CB -0.147 30.061 30.300 -0.153 0.000 1.263 427 R HN 0.315 nan 8.270 nan 0.000 0.557 428 D N 2.145 122.426 120.400 -0.199 0.000 2.116 428 D HA -0.208 4.451 4.640 0.031 0.000 0.193 428 D C 1.505 177.702 176.300 -0.173 0.000 0.998 428 D CA 1.499 55.382 54.000 -0.194 0.000 0.836 428 D CB 0.176 40.850 40.800 -0.211 0.000 0.951 428 D HN 0.340 nan 8.370 nan 0.000 0.449 429 E N 0.063 120.179 120.200 -0.139 0.000 2.085 429 E HA -0.202 4.167 4.350 0.031 0.000 0.194 429 E C 1.982 178.522 176.600 -0.099 0.000 0.994 429 E CA 1.031 57.360 56.400 -0.117 0.000 0.801 429 E CB 0.036 29.683 29.700 -0.088 0.000 0.743 429 E HN 0.280 nan 8.360 nan 0.000 0.453 430 E N -0.132 120.022 120.200 -0.077 0.000 2.106 430 E HA -0.141 4.228 4.350 0.031 0.000 0.192 430 E C 2.063 178.635 176.600 -0.047 0.000 0.984 430 E CA 0.789 57.163 56.400 -0.044 0.000 0.806 430 E CB -0.012 29.681 29.700 -0.012 0.000 0.750 430 E HN 0.046 nan 8.360 nan 0.000 0.458 431 V N 0.981 120.856 119.914 -0.065 0.000 2.307 431 V HA -0.218 3.921 4.120 0.031 0.000 0.245 431 V C 2.075 178.089 176.094 -0.133 0.000 1.045 431 V CA 1.167 63.432 62.300 -0.058 0.000 1.024 431 V CB -0.364 31.457 31.823 -0.004 0.000 0.651 431 V HN 0.281 nan 8.190 nan 0.000 0.449 432 I N 0.307 120.736 120.570 -0.234 0.000 2.226 432 I HA -0.197 3.992 4.170 0.031 0.000 0.245 432 I C 2.592 178.621 176.117 -0.146 0.000 1.100 432 I CA 1.748 62.874 61.300 -0.289 0.000 1.374 432 I CB -1.121 36.681 38.000 -0.330 0.000 1.057 432 I HN 0.415 nan 8.210 nan 0.000 0.413 433 E N 1.561 121.699 120.200 -0.104 0.000 2.077 433 E HA -0.259 4.110 4.350 0.031 0.000 0.193 433 E C 2.075 178.649 176.600 -0.043 0.000 0.989 433 E CA 1.514 57.876 56.400 -0.064 0.000 0.800 433 E CB -0.113 29.557 29.700 -0.050 0.000 0.746 433 E HN 0.148 nan 8.360 nan 0.000 0.452 434 K N 0.410 120.787 120.400 -0.038 0.000 2.057 434 K HA -0.019 4.320 4.320 0.031 0.000 0.207 434 K C 1.899 178.490 176.600 -0.015 0.000 1.049 434 K CA 1.635 57.909 56.287 -0.021 0.000 0.931 434 K CB -0.873 31.618 32.500 -0.015 0.000 0.714 434 K HN 0.158 nan 8.250 nan 0.000 0.440 435 A N 0.989 123.800 122.820 -0.015 0.000 1.892 435 A HA -0.245 4.094 4.320 0.031 0.000 0.218 435 A C 2.300 179.892 177.584 0.013 0.000 1.188 435 A CA 2.101 54.153 52.037 0.025 0.000 0.631 435 A CB -0.708 18.341 19.000 0.081 0.000 0.822 435 A HN 0.443 nan 8.150 nan 0.000 0.447 436 R N -0.415 120.078 120.500 -0.012 0.000 2.081 436 R HA -0.184 4.175 4.340 0.031 0.000 0.235 436 R C 2.275 178.572 176.300 -0.005 0.000 1.131 436 R CA 1.802 57.895 56.100 -0.012 0.000 0.960 436 R CB -0.325 29.958 30.300 -0.029 0.000 0.856 436 R HN 0.740 nan 8.270 nan 0.000 0.436 437 E N 0.388 120.583 120.200 -0.008 0.000 2.077 437 E HA -0.187 4.182 4.350 0.031 0.000 0.193 437 E C 1.770 178.372 176.600 0.003 0.000 0.989 437 E CA 1.189 57.587 56.400 -0.004 0.000 0.800 437 E CB -0.005 29.692 29.700 -0.006 0.000 0.746 437 E HN 0.420 nan 8.360 nan 0.000 0.452 438 L N -0.479 120.747 121.223 0.005 0.000 2.554 438 L HA 0.158 4.517 4.340 0.031 0.000 0.226 438 L C 1.352 178.232 176.870 0.017 0.000 1.137 438 L CA 0.375 55.221 54.840 0.010 0.000 0.863 438 L CB 0.072 42.137 42.059 0.009 0.000 0.985 438 L HN 0.361 nan 8.230 nan 0.000 0.451 439 G N 1.952 110.762 108.800 0.018 0.000 2.221 439 G HA2 -0.293 3.685 3.960 0.031 0.000 0.265 439 G HA3 -0.293 3.685 3.960 0.031 0.000 0.265 439 G C 0.195 175.116 174.900 0.034 0.000 1.041 439 G CA 0.520 45.634 45.100 0.023 0.000 0.807 439 G HN 0.506 nan 8.290 nan 0.000 0.502 440 I N -2.038 118.558 120.570 0.043 0.000 2.392 440 I HA 0.682 4.870 4.170 0.031 0.000 0.295 440 I C 0.381 176.550 176.117 0.086 0.000 0.985 440 I CA -0.949 60.388 61.300 0.061 0.000 1.221 440 I CB 1.699 39.733 38.000 0.057 0.000 1.366 440 I HN -0.060 nan 8.210 nan 0.000 0.467 441 T N 5.973 120.582 114.554 0.092 0.000 2.851 441 T HA 0.309 4.677 4.350 0.031 0.000 0.298 441 T C -0.769 174.014 174.700 0.138 0.000 0.977 441 T CA 0.334 62.489 62.100 0.092 0.000 1.126 441 T CB 0.271 69.203 68.868 0.106 0.000 0.916 441 T HN 0.412 nan 8.240 nan 0.000 0.529 442 F N 4.019 123.933 119.950 -0.061 0.000 2.477 442 F HA 0.517 5.062 4.527 0.031 0.000 0.335 442 F C -1.370 174.344 175.800 -0.143 0.000 1.130 442 F CA -1.468 56.520 58.000 -0.020 0.000 0.948 442 F CB 0.828 39.819 39.000 -0.015 0.000 1.154 442 F HN 0.497 nan 8.300 nan 0.000 0.439 443 Y N 4.771 125.017 120.300 -0.091 0.000 2.341 443 Y HA 0.340 4.908 4.550 0.031 0.000 0.337 443 Y C 0.037 175.837 175.900 -0.166 0.000 1.014 443 Y CA -0.817 57.249 58.100 -0.057 0.000 1.111 443 Y CB 1.475 39.847 38.460 -0.147 0.000 1.194 443 Y HN 0.422 nan 8.280 nan 0.000 0.462 444 K N 2.844 123.345 120.400 0.167 0.000 2.297 444 K HA 0.663 5.002 4.320 0.031 0.000 0.286 444 K C -0.500 176.011 176.600 -0.148 0.000 1.053 444 K CA -0.355 55.983 56.287 0.086 0.000 0.940 444 K CB 0.551 33.137 32.500 0.142 0.000 1.019 444 K HN 0.825 nan 8.250 nan 0.000 0.475 445 A N 5.490 128.095 122.820 -0.358 0.000 2.322 445 A HA 0.316 4.655 4.320 0.031 0.000 0.269 445 A C -1.598 175.897 177.584 -0.149 0.000 1.094 445 A CA -1.398 50.333 52.037 -0.509 0.000 0.807 445 A CB 0.279 18.674 19.000 -1.009 0.000 1.047 445 A HN 0.741 nan 8.150 nan 0.000 0.487 446 P HA -0.006 nan 4.420 nan 0.000 0.221 446 P C 0.435 177.731 177.300 -0.006 0.000 1.150 446 P CA 1.117 64.223 63.100 0.010 0.000 0.800 446 P CB 0.381 32.102 31.700 0.036 0.000 0.787 447 S N -1.765 113.931 115.700 -0.006 0.000 2.547 447 S HA 0.369 4.858 4.470 0.031 0.000 0.270 447 S C -0.844 173.767 174.600 0.018 0.000 1.150 447 S CA -0.876 57.320 58.200 -0.007 0.000 0.850 447 S CB 1.565 64.750 63.200 -0.025 0.000 1.118 447 S HN -0.091 nan 8.310 nan 0.000 0.461 448 R N 1.131 121.598 120.500 -0.054 0.000 2.679 448 R HA 0.332 4.691 4.340 0.031 0.000 0.268 448 R C 0.023 176.233 176.300 -0.150 0.000 1.044 448 R CA 0.488 56.496 56.100 -0.154 0.000 1.105 448 R CB 0.317 30.410 30.300 -0.345 0.000 0.989 448 R HN 0.548 nan 8.270 nan 0.000 0.447 449 V N 1.708 121.500 119.914 -0.204 0.000 2.647 449 V HA 0.339 4.478 4.120 0.031 0.000 0.305 449 V C -0.507 175.526 176.094 -0.102 0.000 1.162 449 V CA -0.970 61.221 62.300 -0.180 0.000 1.248 449 V CB -0.203 31.443 31.823 -0.294 0.000 1.508 449 V HN 0.447 nan 8.190 nan 0.000 0.647 450 F N 1.983 121.841 119.950 -0.153 0.000 2.602 450 F HA 0.580 5.125 4.527 0.030 0.000 0.367 450 F C 0.992 176.665 175.800 -0.212 0.000 1.126 450 F CA 0.242 58.115 58.000 -0.213 0.000 1.321 450 F CB 0.547 39.486 39.000 -0.101 0.000 1.094 450 F HN 0.419 nan 8.300 nan 0.000 0.594 451 R N 2.233 122.649 120.500 -0.139 0.000 2.797 451 R HA 0.289 4.648 4.340 0.031 0.000 0.274 451 R C -1.197 174.987 176.300 -0.195 0.000 1.652 451 R CA -0.515 55.512 56.100 -0.122 0.000 1.175 451 R CB 0.040 30.271 30.300 -0.115 0.000 1.283 451 R HN 0.642 nan 8.270 nan 0.000 0.513 452 H N 0.000 119.045 119.070 -0.042 0.000 2.539 452 H HA 0.000 4.573 4.556 0.028 0.000 0.296 452 H CA 0.000 56.013 56.048 -0.058 0.000 1.023 452 H CB 0.000 29.709 29.762 -0.089 0.000 1.292 452 H HN 0.000 nan 8.280 nan 0.000 0.496