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 3dtf_1_B DATA FIRST_RESID 6 DATA SEQUENCE LEFTVSANTN PATDAVRESI LANPGFGKYY TDHMVSIDYT VDEGWHNAQV DATA SEQUENCE IPYGPIQLDP SAIVLHYGQE IFEGLKAYRW ADGSIVSFRP EANAARLQSS DATA SEQUENCE ARRLAIPELP EEVFIESLRQ LIAVDEKWVP PAGGEESLYL RPFVIATEPG DATA SEQUENCE LGVRPSNEYR YLLIASPAGA YFKGGIKPVS VWLSHEYVRA SPGGTGAAKF DATA SEQUENCE GGNYAASLLA QAQAAEMGCD QVVWLDAIER RYVEEMGGMN LFFVFGSGGS DATA SEQUENCE ARLVTPELSG SLLPGITRDS LLQLATDAGF AVEERKIDVD EWQKKAGAGE DATA SEQUENCE ITEVFACGTA AVITPVSHVK HHDGEFTIAD GQPGEITMAL RDTLTGIQRG DATA SEQUENCE TFADTHGWMA RLN 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.914 176.870 0.074 0.000 1.165 6 L CA 0.000 54.850 54.840 0.017 0.000 0.813 6 L CB 0.000 42.024 42.059 -0.058 0.000 0.961 7 E N 2.439 122.651 120.200 0.020 0.000 2.204 7 E HA 0.508 4.875 4.350 0.028 0.000 0.276 7 E C -1.324 175.298 176.600 0.036 0.000 0.974 7 E CA -0.415 56.056 56.400 0.119 0.000 0.815 7 E CB 2.079 31.824 29.700 0.075 0.000 1.119 7 E HN 0.146 nan 8.360 nan 0.000 0.393 8 F N 0.706 120.663 119.950 0.012 0.000 2.436 8 F HA 0.227 4.771 4.527 0.028 0.000 0.340 8 F C 0.991 176.796 175.800 0.008 0.000 1.113 8 F CA -0.765 57.240 58.000 0.010 0.000 1.022 8 F CB 1.419 40.419 39.000 0.001 0.000 1.128 8 F HN 0.114 nan 8.300 nan 0.000 0.466 9 T N -0.047 114.596 114.554 0.149 0.000 2.867 9 T HA 0.749 5.116 4.350 0.028 0.000 0.282 9 T C -0.708 174.053 174.700 0.102 0.000 1.000 9 T CA -0.779 61.379 62.100 0.097 0.000 1.042 9 T CB 1.452 70.352 68.868 0.053 0.000 0.973 9 T HN 0.295 nan 8.240 nan 0.000 0.465 10 V N 2.808 122.767 119.914 0.075 0.000 2.384 10 V HA 0.494 4.631 4.120 0.028 0.000 0.287 10 V C -0.036 176.097 176.094 0.065 0.000 1.020 10 V CA -0.780 61.557 62.300 0.062 0.000 0.850 10 V CB 1.599 33.437 31.823 0.025 0.000 0.987 10 V HN 1.080 nan 8.190 nan 0.000 0.436 11 S N 4.135 119.889 115.700 0.090 0.000 2.516 11 S HA 0.594 5.081 4.470 0.028 0.000 0.268 11 S C 0.427 175.124 174.600 0.162 0.000 1.251 11 S CA -0.405 57.853 58.200 0.096 0.000 1.153 11 S CB 1.138 64.384 63.200 0.076 0.000 1.009 11 S HN 1.005 nan 8.310 nan 0.000 0.479 12 A N 3.143 126.061 122.820 0.163 0.000 2.540 12 A HA 0.175 4.512 4.320 0.028 0.000 0.239 12 A C 0.662 178.395 177.584 0.247 0.000 1.061 12 A CA -0.251 51.961 52.037 0.292 0.000 0.758 12 A CB 0.014 19.122 19.000 0.179 0.000 0.991 12 A HN 0.666 nan 8.150 nan 0.000 0.502 13 N N 1.738 120.600 118.700 0.270 0.000 2.438 13 N HA 0.026 4.783 4.740 0.028 0.000 0.267 13 N C 0.785 176.329 175.510 0.056 0.000 1.222 13 N CA 0.535 53.572 53.050 -0.021 0.000 0.930 13 N CB 0.612 38.906 38.487 -0.321 0.000 1.083 13 N HN 0.540 nan 8.380 nan 0.000 0.476 14 T N 2.289 116.869 114.554 0.042 0.000 3.088 14 T HA -0.008 4.359 4.350 0.028 0.000 0.259 14 T C 0.883 175.606 174.700 0.038 0.000 1.122 14 T CA 0.507 62.635 62.100 0.046 0.000 1.095 14 T CB -0.138 68.752 68.868 0.037 0.000 0.930 14 T HN 0.632 nan 8.240 nan 0.000 0.508 15 N N 1.703 120.421 118.700 0.029 0.000 2.644 15 N HA 0.162 4.919 4.740 0.028 0.000 0.313 15 N C -2.792 172.743 175.510 0.041 0.000 1.863 15 N CA -1.421 51.649 53.050 0.033 0.000 0.918 15 N CB 1.084 39.587 38.487 0.027 0.000 1.320 15 N HN 0.163 nan 8.380 nan 0.000 0.490 16 P HA 0.150 nan 4.420 nan 0.000 0.274 16 P C -0.385 176.984 177.300 0.116 0.000 1.256 16 P CA -0.240 62.919 63.100 0.098 0.000 0.795 16 P CB 0.923 32.706 31.700 0.138 0.000 1.038 17 A N 1.405 124.339 122.820 0.190 0.000 2.511 17 A HA 0.340 4.677 4.320 0.028 0.000 0.242 17 A C 0.986 178.606 177.584 0.060 0.000 1.069 17 A CA 0.044 52.172 52.037 0.152 0.000 0.763 17 A CB -0.897 18.269 19.000 0.276 0.000 1.001 17 A HN 0.669 nan 8.150 nan 0.000 0.498 18 T N 0.433 114.998 114.554 0.019 0.000 2.855 18 T HA 0.099 4.466 4.350 0.028 0.000 0.314 18 T C 0.553 175.213 174.700 -0.067 0.000 1.077 18 T CA 0.195 62.285 62.100 -0.016 0.000 1.095 18 T CB 0.458 69.317 68.868 -0.015 0.000 0.987 18 T HN 0.589 nan 8.240 nan 0.000 0.546 19 D N 1.223 121.576 120.400 -0.078 0.000 2.149 19 D HA -0.122 4.535 4.640 0.028 0.000 0.198 19 D C 2.347 178.571 176.300 -0.127 0.000 0.990 19 D CA 1.633 55.561 54.000 -0.120 0.000 0.839 19 D CB -0.605 40.140 40.800 -0.092 0.000 0.948 19 D HN 0.764 nan 8.370 nan 0.000 0.460 20 A N 0.803 123.570 122.820 -0.089 0.000 1.883 20 A HA -0.151 4.186 4.320 0.028 0.000 0.217 20 A C 2.599 180.122 177.584 -0.102 0.000 1.186 20 A CA 1.355 53.343 52.037 -0.082 0.000 0.624 20 A CB -0.770 18.198 19.000 -0.054 0.000 0.822 20 A HN 0.149 nan 8.150 nan 0.000 0.444 21 V N -0.123 119.735 119.914 -0.093 0.000 2.307 21 V HA -0.219 3.918 4.120 0.028 0.000 0.245 21 V C 2.652 178.640 176.094 -0.177 0.000 1.045 21 V CA 2.191 64.430 62.300 -0.101 0.000 1.024 21 V CB -0.795 31.005 31.823 -0.039 0.000 0.651 21 V HN 0.659 nan 8.190 nan 0.000 0.449 22 R N 0.119 120.471 120.500 -0.246 0.000 2.091 22 R HA -0.207 4.150 4.340 0.028 0.000 0.238 22 R C 2.286 178.344 176.300 -0.405 0.000 1.136 22 R CA 2.059 57.859 56.100 -0.501 0.000 0.959 22 R CB -0.203 29.624 30.300 -0.788 0.000 0.856 22 R HN 0.625 nan 8.270 nan 0.000 0.437 23 E N -0.024 120.005 120.200 -0.286 0.000 2.110 23 E HA -0.161 4.206 4.350 0.028 0.000 0.193 23 E C 1.998 178.492 176.600 -0.176 0.000 0.988 23 E CA 1.638 57.911 56.400 -0.212 0.000 0.804 23 E CB -0.003 29.604 29.700 -0.156 0.000 0.745 23 E HN 0.480 nan 8.360 nan 0.000 0.458 24 S N 0.776 116.374 115.700 -0.171 0.000 2.402 24 S HA -0.115 4.372 4.470 0.028 0.000 0.229 24 S C 2.003 176.478 174.600 -0.207 0.000 1.021 24 S CA 0.537 58.645 58.200 -0.153 0.000 0.974 24 S CB -0.175 62.947 63.200 -0.130 0.000 0.800 24 S HN 0.073 nan 8.310 nan 0.000 0.484 25 I N 2.375 122.769 120.570 -0.293 0.000 2.133 25 I HA -0.059 4.128 4.170 0.028 0.000 0.238 25 I C 2.504 178.495 176.117 -0.210 0.000 1.074 25 I CA 1.065 62.123 61.300 -0.403 0.000 1.342 25 I CB -1.547 36.209 38.000 -0.407 0.000 1.053 25 I HN 0.318 nan 8.210 nan 0.000 0.404 26 L N 0.791 121.916 121.223 -0.163 0.000 2.187 26 L HA -0.192 4.165 4.340 0.028 0.000 0.213 26 L C 2.657 179.490 176.870 -0.062 0.000 1.100 26 L CA 1.192 55.979 54.840 -0.088 0.000 0.765 26 L CB -0.693 41.297 42.059 -0.116 0.000 0.904 26 L HN 0.216 nan 8.230 nan 0.000 0.437 27 A N -0.512 122.259 122.820 -0.081 0.000 2.014 27 A HA -0.132 4.205 4.320 0.028 0.000 0.218 27 A C 1.057 178.621 177.584 -0.032 0.000 1.163 27 A CA 1.410 53.415 52.037 -0.052 0.000 0.652 27 A CB -0.254 18.710 19.000 -0.061 0.000 0.808 27 A HN 0.483 nan 8.150 nan 0.000 0.449 28 N N -1.467 117.209 118.700 -0.039 0.000 2.785 28 N HA 0.183 4.940 4.740 0.028 0.000 0.224 28 N C -2.198 173.327 175.510 0.026 0.000 1.448 28 N CA -0.857 52.192 53.050 -0.003 0.000 0.748 28 N CB 1.149 39.636 38.487 0.000 0.000 1.385 28 N HN -0.027 nan 8.380 nan 0.000 0.538 29 P HA 0.160 nan 4.420 nan 0.000 0.220 29 P C 0.951 178.348 177.300 0.162 0.000 1.152 29 P CA 1.352 64.519 63.100 0.113 0.000 0.812 29 P CB 0.323 32.070 31.700 0.079 0.000 0.792 30 G N 0.808 109.667 108.800 0.099 0.000 2.527 30 G HA2 -0.253 3.724 3.960 0.028 0.000 0.268 30 G HA3 -0.253 3.724 3.960 0.028 0.000 0.268 30 G C -0.873 174.106 174.900 0.131 0.000 1.175 30 G CA 0.094 45.239 45.100 0.075 0.000 0.962 30 G HN 0.483 nan 8.290 nan 0.000 0.560 31 F N 0.776 120.675 119.950 -0.085 0.000 2.605 31 F HA 0.542 5.086 4.527 0.028 0.000 0.320 31 F C 0.784 176.492 175.800 -0.153 0.000 1.159 31 F CA 0.992 58.927 58.000 -0.108 0.000 0.999 31 F CB 1.411 40.347 39.000 -0.106 0.000 1.258 31 F HN 2.219 nan 8.300 nan 0.000 0.464 32 G N 4.719 112.966 108.800 -0.922 0.000 2.296 32 G HA2 -0.386 3.591 3.960 0.028 0.000 0.282 32 G HA3 -0.386 3.591 3.960 0.028 0.000 0.282 32 G C 0.887 175.530 174.900 -0.430 0.000 1.014 32 G CA 1.025 45.746 45.100 -0.633 0.000 0.812 32 G HN 0.844 nan 8.290 nan 0.000 0.508 33 K N -1.474 118.623 120.400 -0.505 0.000 2.262 33 K HA 0.260 4.597 4.320 0.028 0.000 0.200 33 K C 0.292 176.291 176.600 -1.001 0.000 1.058 33 K CA 0.222 56.138 56.287 -0.619 0.000 0.974 33 K CB 0.335 32.494 32.500 -0.567 0.000 0.910 33 K HN 0.393 nan 8.250 nan 0.000 0.484 34 Y N -0.648 119.211 120.300 -0.734 0.000 2.509 34 Y HA 0.370 4.938 4.550 0.029 0.000 0.341 34 Y C -0.791 174.388 175.900 -1.203 0.000 1.038 34 Y CA -1.109 56.521 58.100 -0.784 0.000 1.089 34 Y CB 1.389 39.664 38.460 -0.308 0.000 1.241 34 Y HN -0.121 nan 8.280 nan 0.000 0.468 35 Y N -0.805 119.300 120.300 -0.325 0.000 2.536 35 Y HA 0.463 5.029 4.550 0.028 0.000 0.347 35 Y C 0.539 175.849 175.900 -0.984 0.000 1.000 35 Y CA -1.467 56.237 58.100 -0.660 0.000 1.051 35 Y CB 1.543 39.341 38.460 -1.104 0.000 1.259 35 Y HN 0.652 nan 8.280 nan 0.000 0.468 36 T N -2.849 111.140 114.554 -0.942 0.000 2.667 36 T HA 0.014 4.381 4.350 0.028 0.000 0.305 36 T C 0.544 174.684 174.700 -0.934 0.000 1.022 36 T CA -0.227 60.895 62.100 -1.630 0.000 0.995 36 T CB 0.495 68.700 68.868 -1.105 0.000 1.026 36 T HN 0.624 nan 8.240 nan 0.000 0.527 37 D N -0.088 119.927 120.400 -0.642 0.000 2.269 37 D HA 0.044 4.701 4.640 0.028 0.000 0.208 37 D C 0.421 176.536 176.300 -0.309 0.000 0.963 37 D CA 1.238 55.110 54.000 -0.213 0.000 0.864 37 D CB -0.043 40.802 40.800 0.075 0.000 0.936 37 D HN 0.637 nan 8.370 nan 0.000 0.505 38 H N -1.282 117.769 119.070 -0.031 0.000 2.855 38 H HA 0.587 5.160 4.556 0.028 0.000 0.363 38 H C 0.095 175.458 175.328 0.059 0.000 1.185 38 H CA -0.878 55.194 56.048 0.040 0.000 1.174 38 H CB 1.701 31.480 29.762 0.028 0.000 1.857 38 H HN -0.187 nan 8.280 nan 0.000 0.565 39 M N -0.693 119.011 119.600 0.174 0.000 2.569 39 M HA 0.685 5.182 4.480 0.028 0.000 0.279 39 M C -1.802 174.525 176.300 0.045 0.000 1.253 39 M CA -1.157 54.193 55.300 0.084 0.000 0.867 39 M CB 2.131 34.740 32.600 0.014 0.000 1.727 39 M HN 0.239 nan 8.290 nan 0.000 0.467 40 V N 1.246 121.159 119.914 -0.001 0.000 2.532 40 V HA 0.737 4.874 4.120 0.028 0.000 0.295 40 V C -0.368 175.706 176.094 -0.034 0.000 1.041 40 V CA -0.347 61.977 62.300 0.041 0.000 0.926 40 V CB 1.624 33.508 31.823 0.101 0.000 0.992 40 V HN 0.895 nan 8.190 nan 0.000 0.457 41 S N 4.689 120.406 115.700 0.029 0.000 2.571 41 S HA 0.800 5.287 4.470 0.028 0.000 0.284 41 S C -1.190 173.440 174.600 0.050 0.000 1.128 41 S CA -0.510 57.683 58.200 -0.013 0.000 0.970 41 S CB 0.880 64.050 63.200 -0.050 0.000 1.039 41 S HN 0.543 nan 8.310 nan 0.000 0.485 42 I N 3.610 124.258 120.570 0.129 0.000 2.534 42 I HA 0.400 4.587 4.170 0.028 0.000 0.288 42 I C -0.987 175.291 176.117 0.269 0.000 1.077 42 I CA -0.789 60.601 61.300 0.149 0.000 1.051 42 I CB 2.215 40.321 38.000 0.176 0.000 1.234 42 I HN 0.512 nan 8.210 nan 0.000 0.425 43 D N 4.329 124.766 120.400 0.062 0.000 2.229 43 D HA 0.342 4.999 4.640 0.028 0.000 0.249 43 D C -1.320 175.012 176.300 0.052 0.000 1.027 43 D CA -0.051 53.956 54.000 0.011 0.000 0.923 43 D CB 2.601 43.249 40.800 -0.254 0.000 1.174 43 D HN 0.339 nan 8.370 nan 0.000 0.443 44 Y N 0.354 120.591 120.300 -0.105 0.000 2.406 44 Y HA 0.391 4.958 4.550 0.029 0.000 0.340 44 Y C -0.763 175.090 175.900 -0.077 0.000 0.975 44 Y CA -0.431 57.482 58.100 -0.311 0.000 1.056 44 Y CB 1.708 39.520 38.460 -1.081 0.000 1.210 44 Y HN 0.387 nan 8.280 nan 0.000 0.448 45 T N 1.309 115.527 114.554 -0.560 0.000 2.883 45 T HA 0.390 4.757 4.350 0.028 0.000 0.301 45 T C 0.135 174.448 174.700 -0.645 0.000 1.158 45 T CA -0.637 61.275 62.100 -0.313 0.000 1.007 45 T CB 1.114 69.894 68.868 -0.146 0.000 1.186 45 T HN 0.369 nan 8.240 nan 0.000 0.499 46 V N 1.616 121.378 119.914 -0.253 0.000 2.261 46 V HA -0.153 3.984 4.120 0.028 0.000 0.246 46 V C 2.664 178.616 176.094 -0.238 0.000 1.047 46 V CA 2.506 64.697 62.300 -0.183 0.000 1.015 46 V CB -0.859 30.950 31.823 -0.024 0.000 0.642 46 V HN 1.067 nan 8.190 nan 0.000 0.446 47 D N -0.035 120.240 120.400 -0.209 0.000 2.264 47 D HA -0.185 4.472 4.640 0.028 0.000 0.208 47 D C 1.595 177.738 176.300 -0.261 0.000 0.966 47 D CA 1.261 55.145 54.000 -0.192 0.000 0.864 47 D CB -0.223 40.487 40.800 -0.150 0.000 0.933 47 D HN 0.600 nan 8.370 nan 0.000 0.499 48 E N -0.391 119.569 120.200 -0.400 0.000 2.562 48 E HA 0.328 4.695 4.350 0.028 0.000 0.214 48 E C 1.128 177.467 176.600 -0.436 0.000 0.979 48 E CA 0.083 56.190 56.400 -0.488 0.000 1.002 48 E CB 1.017 30.172 29.700 -0.908 0.000 1.048 48 E HN 0.311 nan 8.360 nan 0.000 0.488 49 G N 1.838 110.290 108.800 -0.580 0.000 2.578 49 G HA2 -0.315 3.662 3.960 0.028 0.000 0.284 49 G HA3 -0.315 3.662 3.960 0.028 0.000 0.284 49 G C -0.659 173.972 174.900 -0.448 0.000 1.283 49 G CA -0.015 44.668 45.100 -0.695 0.000 0.944 49 G HN 0.290 nan 8.290 nan 0.000 0.558 50 W N 2.774 124.102 121.300 0.047 0.000 2.303 50 W HA 0.600 5.276 4.660 0.028 0.000 0.318 50 W C 1.065 177.665 176.519 0.135 0.000 1.362 50 W CA 0.674 58.111 57.345 0.154 0.000 1.234 50 W CB 0.439 29.972 29.460 0.122 0.000 1.248 50 W HN 0.887 nan 8.180 nan 0.000 0.546 51 H N 0.599 119.753 119.070 0.140 0.000 2.905 51 H HA 0.246 4.819 4.556 0.028 0.000 0.280 51 H C -0.093 175.234 175.328 -0.000 0.000 1.445 51 H CA -1.338 54.722 56.048 0.019 0.000 1.165 51 H CB 0.214 29.955 29.762 -0.036 0.000 1.857 51 H HN 0.335 nan 8.280 nan 0.000 0.567 52 N N -0.715 117.917 118.700 -0.113 0.000 2.727 52 N HA -0.172 4.585 4.740 0.028 0.000 0.249 52 N C -0.894 174.507 175.510 -0.181 0.000 1.048 52 N CA 0.791 53.747 53.050 -0.156 0.000 0.714 52 N CB -1.305 37.046 38.487 -0.228 0.000 0.959 52 N HN 0.949 nan 8.380 nan 0.000 0.544 53 A N 1.059 123.721 122.820 -0.264 0.000 2.454 53 A HA 0.459 4.796 4.320 0.028 0.000 0.260 53 A C 0.543 177.970 177.584 -0.262 0.000 1.106 53 A CA 0.583 52.350 52.037 -0.450 0.000 0.780 53 A CB 0.326 18.621 19.000 -1.175 0.000 1.044 53 A HN 0.596 nan 8.150 nan 0.000 0.498 54 Q N 0.662 120.436 119.800 -0.043 0.000 2.522 54 Q HA 0.625 4.982 4.340 0.028 0.000 0.285 54 Q C -1.920 174.182 176.000 0.170 0.000 0.982 54 Q CA -0.996 54.864 55.803 0.094 0.000 0.805 54 Q CB 1.609 30.367 28.738 0.033 0.000 1.457 54 Q HN 0.338 nan 8.270 nan 0.000 0.394 55 V N 3.409 123.422 119.914 0.165 0.000 2.347 55 V HA 0.506 4.643 4.120 0.028 0.000 0.280 55 V C 0.052 176.228 176.094 0.136 0.000 1.021 55 V CA -0.503 61.878 62.300 0.135 0.000 0.847 55 V CB 0.879 32.748 31.823 0.076 0.000 0.990 55 V HN 0.716 nan 8.190 nan 0.000 0.444 56 I N 3.611 124.265 120.570 0.140 0.000 3.206 56 I HA 0.792 4.979 4.170 0.028 0.000 0.313 56 I C -3.043 173.154 176.117 0.134 0.000 1.103 56 I CA -3.122 58.257 61.300 0.131 0.000 0.985 56 I CB 1.756 39.782 38.000 0.043 0.000 1.240 56 I HN 0.260 nan 8.210 nan 0.000 0.464 57 P HA 0.125 nan 4.420 nan 0.000 0.271 57 P C -1.083 176.184 177.300 -0.055 0.000 1.216 57 P CA 0.328 63.366 63.100 -0.104 0.000 0.776 57 P CB 0.024 31.677 31.700 -0.077 0.000 0.881 58 Y N 3.072 123.273 120.300 -0.164 0.000 2.650 58 Y HA 0.380 4.947 4.550 0.028 0.000 0.331 58 Y C 0.781 176.626 175.900 -0.092 0.000 1.165 58 Y CA 1.402 59.431 58.100 -0.117 0.000 1.473 58 Y CB -0.283 38.098 38.460 -0.132 0.000 1.224 58 Y HN 0.555 nan 8.280 nan 0.000 0.533 59 G N 6.190 114.735 108.800 -0.426 0.000 2.559 59 G HA2 0.361 4.338 3.960 0.028 0.000 0.291 59 G HA3 0.361 4.338 3.960 0.028 0.000 0.291 59 G C -3.159 171.564 174.900 -0.295 0.000 1.424 59 G CA -1.450 43.513 45.100 -0.229 0.000 0.786 59 G HN 0.479 nan 8.290 nan 0.000 0.485 60 P HA 0.297 nan 4.420 nan 0.000 0.265 60 P C -0.740 176.481 177.300 -0.133 0.000 1.187 60 P CA 0.012 63.031 63.100 -0.135 0.000 0.766 60 P CB 1.115 32.772 31.700 -0.071 0.000 0.820 61 I N 2.037 122.534 120.570 -0.122 0.000 2.566 61 I HA 0.233 4.420 4.170 0.028 0.000 0.303 61 I C 0.815 176.895 176.117 -0.063 0.000 0.983 61 I CA -0.305 60.938 61.300 -0.097 0.000 1.235 61 I CB 1.145 39.091 38.000 -0.091 0.000 1.386 61 I HN 0.303 nan 8.210 nan 0.000 0.494 62 Q N 4.962 124.731 119.800 -0.050 0.000 2.309 62 Q HA 0.784 5.141 4.340 0.028 0.000 0.264 62 Q C -1.525 174.459 176.000 -0.027 0.000 1.008 62 Q CA -0.683 55.099 55.803 -0.035 0.000 0.853 62 Q CB 2.525 31.244 28.738 -0.031 0.000 1.314 62 Q HN 0.447 nan 8.270 nan 0.000 0.448 63 L N 0.912 122.122 121.223 -0.020 0.000 2.434 63 L HA 0.383 4.740 4.340 0.028 0.000 0.260 63 L C -0.648 176.218 176.870 -0.007 0.000 0.983 63 L CA -0.972 53.860 54.840 -0.013 0.000 0.820 63 L CB 2.229 44.282 42.059 -0.011 0.000 1.361 63 L HN 0.637 nan 8.230 nan 0.000 0.410 64 D N 2.547 122.946 120.400 -0.001 0.000 2.399 64 D HA 0.079 4.736 4.640 0.028 0.000 0.241 64 D C -1.837 174.476 176.300 0.022 0.000 1.133 64 D CA -1.136 52.867 54.000 0.005 0.000 0.890 64 D CB 2.092 42.893 40.800 0.002 0.000 1.201 64 D HN 0.240 nan 8.370 nan 0.000 0.432 65 P HA -0.108 nan 4.420 nan 0.000 0.219 65 P C 0.941 178.340 177.300 0.164 0.000 1.146 65 P CA 1.084 64.219 63.100 0.059 0.000 0.808 65 P CB 0.133 31.859 31.700 0.044 0.000 0.779 66 S N -1.994 113.769 115.700 0.105 0.000 2.597 66 S HA 0.370 4.857 4.470 0.028 0.000 0.224 66 S C 0.900 175.546 174.600 0.078 0.000 0.955 66 S CA -0.422 57.813 58.200 0.059 0.000 0.933 66 S CB -0.853 62.299 63.200 -0.081 0.000 0.788 66 S HN 0.088 nan 8.310 nan 0.000 0.488 67 A N 1.670 124.549 122.820 0.099 0.000 2.567 67 A HA 0.359 4.696 4.320 0.028 0.000 0.240 67 A C 1.305 178.953 177.584 0.107 0.000 1.053 67 A CA -0.236 51.836 52.037 0.059 0.000 0.755 67 A CB -0.487 18.529 19.000 0.027 0.000 0.978 67 A HN 0.546 nan 8.150 nan 0.000 0.507 68 I N 2.959 123.565 120.570 0.060 0.000 2.185 68 I HA -0.248 3.939 4.170 0.028 0.000 0.246 68 I C 2.321 178.485 176.117 0.079 0.000 1.088 68 I CA 1.785 63.136 61.300 0.085 0.000 1.347 68 I CB -0.228 37.830 38.000 0.097 0.000 1.041 68 I HN 0.614 nan 8.210 nan 0.000 0.415 69 V N 1.375 121.330 119.914 0.067 0.000 2.568 69 V HA -0.218 3.919 4.120 0.028 0.000 0.253 69 V C 1.983 178.078 176.094 0.002 0.000 1.072 69 V CA 1.702 64.049 62.300 0.077 0.000 1.084 69 V CB -0.215 31.662 31.823 0.090 0.000 0.676 69 V HN 0.369 nan 8.190 nan 0.000 0.469 70 L N -0.965 120.216 121.223 -0.071 0.000 2.591 70 L HA 0.128 4.485 4.340 0.028 0.000 0.228 70 L C 1.992 178.523 176.870 -0.564 0.000 1.133 70 L CA 0.418 55.104 54.840 -0.258 0.000 0.880 70 L CB -0.446 41.445 42.059 -0.280 0.000 1.033 70 L HN 0.451 nan 8.230 nan 0.000 0.450 71 H N -2.316 116.593 119.070 -0.267 0.000 2.348 71 H HA 0.144 4.717 4.556 0.028 0.000 0.233 71 H C 0.549 175.571 175.328 -0.511 0.000 0.889 71 H CA 0.431 56.160 56.048 -0.533 0.000 1.034 71 H CB 0.764 29.931 29.762 -0.992 0.000 1.393 71 H HN 0.149 nan 8.280 nan 0.000 0.422 72 Y N 0.813 121.224 120.300 0.185 0.000 2.681 72 Y HA 0.367 4.932 4.550 0.026 0.000 0.267 72 Y C 1.528 177.531 175.900 0.172 0.000 1.166 72 Y CA -0.290 57.901 58.100 0.152 0.000 1.209 72 Y CB 0.316 38.854 38.460 0.129 0.000 1.161 72 Y HN 0.290 nan 8.280 nan 0.000 0.534 73 G N 1.140 110.082 108.800 0.237 0.000 2.402 73 G HA2 -0.389 3.588 3.960 0.028 0.000 0.300 73 G HA3 -0.389 3.588 3.960 0.028 0.000 0.300 73 G C 0.395 175.534 174.900 0.398 0.000 0.987 73 G CA 0.552 45.812 45.100 0.267 0.000 0.881 73 G HN 0.524 nan 8.290 nan 0.000 0.512 74 Q N 0.465 120.463 119.800 0.331 0.000 2.381 74 Q HA 0.433 4.790 4.340 0.028 0.000 0.243 74 Q C 0.465 176.679 176.000 0.356 0.000 1.154 74 Q CA 0.176 56.179 55.803 0.333 0.000 0.899 74 Q CB 0.013 28.918 28.738 0.277 0.000 1.396 74 Q HN 0.786 nan 8.270 nan 0.000 0.485 75 E N 3.950 124.411 120.200 0.436 0.000 2.407 75 E HA 0.616 4.983 4.350 0.028 0.000 0.279 75 E C -1.036 175.866 176.600 0.503 0.000 1.012 75 E CA -0.939 55.711 56.400 0.416 0.000 0.800 75 E CB 1.168 31.076 29.700 0.347 0.000 1.276 75 E HN 0.485 nan 8.360 nan 0.000 0.452 76 I N -1.625 119.216 120.570 0.452 0.000 3.102 76 I HA 0.850 5.037 4.170 0.028 0.000 0.310 76 I C -1.361 175.066 176.117 0.516 0.000 1.246 76 I CA -1.228 60.337 61.300 0.441 0.000 0.979 76 I CB 1.892 40.053 38.000 0.268 0.000 1.267 76 I HN 0.713 nan 8.210 nan 0.000 0.451 77 F N -0.358 119.736 119.950 0.240 0.000 2.789 77 F HA 0.857 5.400 4.527 0.027 0.000 0.319 77 F C -1.354 174.566 175.800 0.200 0.000 1.168 77 F CA -0.578 57.559 58.000 0.228 0.000 0.934 77 F CB 1.280 40.355 39.000 0.126 0.000 1.375 77 F HN 0.525 nan 8.300 nan 0.000 0.480 78 E N -0.450 119.944 120.200 0.322 0.000 2.449 78 E HA 0.662 5.029 4.350 0.028 0.000 0.278 78 E C -1.456 175.322 176.600 0.296 0.000 0.992 78 E CA -0.882 55.628 56.400 0.184 0.000 0.807 78 E CB 2.164 32.013 29.700 0.249 0.000 1.350 78 E HN 1.102 nan 8.360 nan 0.000 0.462 79 G N 0.842 109.766 108.800 0.207 0.000 2.741 79 G HA2 0.650 4.627 3.960 0.028 0.000 0.293 79 G HA3 0.650 4.627 3.960 0.028 0.000 0.293 79 G C -0.959 173.996 174.900 0.092 0.000 1.457 79 G CA -0.488 44.690 45.100 0.131 0.000 1.098 79 G HN 0.372 nan 8.290 nan 0.000 0.536 80 L N -1.389 119.773 121.223 -0.102 0.000 2.828 80 L HA 0.896 5.253 4.340 0.028 0.000 0.264 80 L C -1.157 175.683 176.870 -0.050 0.000 1.106 80 L CA -1.444 53.427 54.840 0.052 0.000 0.955 80 L CB 1.769 43.904 42.059 0.126 0.000 1.558 80 L HN 0.429 nan 8.230 nan 0.000 0.386 81 K N -0.121 120.296 120.400 0.029 0.000 2.466 81 K HA 0.888 5.225 4.320 0.028 0.000 0.260 81 K C -1.461 175.022 176.600 -0.196 0.000 1.011 81 K CA -0.660 55.541 56.287 -0.142 0.000 0.871 81 K CB 2.412 34.717 32.500 -0.327 0.000 1.404 81 K HN 0.831 nan 8.250 nan 0.000 0.450 82 A N 1.444 124.082 122.820 -0.302 0.000 2.343 82 A HA 0.700 5.037 4.320 0.028 0.000 0.316 82 A C -1.700 175.733 177.584 -0.251 0.000 1.104 82 A CA -0.545 51.399 52.037 -0.156 0.000 0.768 82 A CB 0.384 19.344 19.000 -0.067 0.000 1.213 82 A HN 0.577 nan 8.150 nan 0.000 0.456 83 Y N 0.344 120.656 120.300 0.020 0.000 2.524 83 Y HA 0.671 5.238 4.550 0.028 0.000 0.344 83 Y C 0.485 176.394 175.900 0.016 0.000 1.012 83 Y CA -0.825 57.312 58.100 0.061 0.000 1.068 83 Y CB 1.651 40.190 38.460 0.132 0.000 1.249 83 Y HN 0.730 nan 8.280 nan 0.000 0.468 84 R N 1.929 122.596 120.500 0.279 0.000 2.255 84 R HA 0.319 4.676 4.340 0.028 0.000 0.326 84 R C -1.488 175.054 176.300 0.403 0.000 0.986 84 R CA -0.488 55.747 56.100 0.226 0.000 0.847 84 R CB 0.577 30.975 30.300 0.164 0.000 1.111 84 R HN 0.691 nan 8.270 nan 0.000 0.452 85 W N 1.745 123.099 121.300 0.089 0.000 2.415 85 W HA 0.398 5.075 4.660 0.028 0.000 0.355 85 W C 1.037 177.579 176.519 0.039 0.000 1.161 85 W CA -0.931 56.449 57.345 0.058 0.000 1.315 85 W CB 0.972 30.462 29.460 0.051 0.000 1.261 85 W HN 0.770 nan 8.180 nan 0.000 0.636 86 A N 0.768 123.694 122.820 0.178 0.000 1.972 86 A HA -0.222 4.115 4.320 0.028 0.000 0.219 86 A C 1.454 179.099 177.584 0.101 0.000 1.169 86 A CA 2.120 54.208 52.037 0.085 0.000 0.635 86 A CB -0.808 18.191 19.000 -0.003 0.000 0.810 86 A HN 0.609 nan 8.150 nan 0.000 0.446 87 D N -1.970 118.518 120.400 0.147 0.000 2.363 87 D HA 0.246 4.903 4.640 0.028 0.000 0.226 87 D C 1.197 177.573 176.300 0.127 0.000 1.020 87 D CA 1.009 55.085 54.000 0.128 0.000 0.892 87 D CB -0.676 40.216 40.800 0.152 0.000 0.900 87 D HN 0.780 nan 8.370 nan 0.000 0.531 88 G N -0.054 108.831 108.800 0.142 0.000 2.225 88 G HA2 -0.299 3.678 3.960 0.028 0.000 0.254 88 G HA3 -0.299 3.678 3.960 0.028 0.000 0.254 88 G C 0.445 175.406 174.900 0.101 0.000 0.988 88 G CA 0.448 45.612 45.100 0.107 0.000 0.625 88 G HN 0.857 nan 8.290 nan 0.000 0.527 89 S N -0.112 115.663 115.700 0.126 0.000 2.617 89 S HA 0.725 5.212 4.470 0.028 0.000 0.269 89 S C -0.113 174.490 174.600 0.005 0.000 1.292 89 S CA -0.511 57.723 58.200 0.058 0.000 1.010 89 S CB 1.923 65.152 63.200 0.049 0.000 0.944 89 S HN 0.541 nan 8.310 nan 0.000 0.536 90 I N 2.159 122.700 120.570 -0.048 0.000 2.354 90 I HA 0.471 4.658 4.170 0.028 0.000 0.292 90 I C 0.139 176.158 176.117 -0.163 0.000 0.989 90 I CA -0.458 60.800 61.300 -0.070 0.000 1.188 90 I CB 1.480 39.468 38.000 -0.020 0.000 1.342 90 I HN 0.747 nan 8.210 nan 0.000 0.457 91 V N 2.347 122.110 119.914 -0.252 0.000 3.158 91 V HA 0.917 5.054 4.120 0.028 0.000 0.315 91 V C -0.421 175.679 176.094 0.011 0.000 1.148 91 V CA -0.579 61.552 62.300 -0.282 0.000 1.042 91 V CB 1.959 33.310 31.823 -0.786 0.000 1.101 91 V HN 0.664 nan 8.190 nan 0.000 0.448 92 S N 0.296 116.036 115.700 0.068 0.000 2.569 92 S HA 0.701 5.188 4.470 0.028 0.000 0.280 92 S C -1.449 173.331 174.600 0.301 0.000 1.111 92 S CA -0.483 57.867 58.200 0.250 0.000 0.887 92 S CB 1.547 64.830 63.200 0.138 0.000 1.095 92 S HN 1.082 nan 8.310 nan 0.000 0.476 93 F N 4.889 125.010 119.950 0.286 0.000 2.404 93 F HA 0.523 5.067 4.527 0.028 0.000 0.358 93 F C 0.903 176.779 175.800 0.126 0.000 1.120 93 F CA -0.272 57.849 58.000 0.203 0.000 1.144 93 F CB 0.206 39.343 39.000 0.227 0.000 1.133 93 F HN 0.837 nan 8.300 nan 0.000 0.495 94 R N 4.354 124.581 120.500 -0.454 0.000 3.158 94 R HA -0.193 4.164 4.340 0.028 0.000 0.244 94 R C -2.270 173.951 176.300 -0.131 0.000 0.900 94 R CA 0.394 56.252 56.100 -0.403 0.000 0.618 94 R CB -1.488 28.330 30.300 -0.804 0.000 1.061 94 R HN 0.498 nan 8.270 nan 0.000 0.471 95 P HA -0.155 nan 4.420 nan 0.000 0.218 95 P C 0.776 178.099 177.300 0.038 0.000 1.149 95 P CA 1.112 64.277 63.100 0.110 0.000 0.817 95 P CB 0.228 32.020 31.700 0.154 0.000 0.785 96 E N -0.109 120.078 120.200 -0.021 0.000 2.118 96 E HA -0.159 4.208 4.350 0.028 0.000 0.195 96 E C 2.100 178.609 176.600 -0.151 0.000 0.992 96 E CA 1.554 57.907 56.400 -0.079 0.000 0.804 96 E CB -1.250 28.423 29.700 -0.046 0.000 0.741 96 E HN 0.183 nan 8.360 nan 0.000 0.458 97 A N 0.868 123.605 122.820 -0.137 0.000 1.898 97 A HA -0.214 4.123 4.320 0.028 0.000 0.216 97 A C 1.831 179.311 177.584 -0.173 0.000 1.181 97 A CA 1.816 53.766 52.037 -0.145 0.000 0.620 97 A CB -0.641 18.268 19.000 -0.151 0.000 0.819 97 A HN 0.240 nan 8.150 nan 0.000 0.442 98 N N 0.465 119.063 118.700 -0.170 0.000 2.142 98 N HA -0.019 4.738 4.740 0.028 0.000 0.186 98 N C 1.865 177.018 175.510 -0.595 0.000 1.023 98 N CA 1.490 54.416 53.050 -0.206 0.000 0.852 98 N CB -0.369 38.139 38.487 0.034 0.000 0.998 98 N HN 0.461 nan 8.380 nan 0.000 0.424 99 A N 0.843 123.075 122.820 -0.979 0.000 1.908 99 A HA -0.069 4.268 4.320 0.028 0.000 0.218 99 A C 2.268 179.505 177.584 -0.578 0.000 1.181 99 A CA 1.945 53.211 52.037 -1.284 0.000 0.627 99 A CB -1.099 17.402 19.000 -0.832 0.000 0.818 99 A HN 0.343 nan 8.150 nan 0.000 0.445 100 A N -0.896 121.711 122.820 -0.355 0.000 1.969 100 A HA -0.087 4.250 4.320 0.028 0.000 0.218 100 A C 2.224 179.702 177.584 -0.178 0.000 1.169 100 A CA 1.582 53.491 52.037 -0.213 0.000 0.635 100 A CB -0.389 18.522 19.000 -0.148 0.000 0.810 100 A HN 0.544 nan 8.150 nan 0.000 0.445 101 R N -1.053 119.335 120.500 -0.187 0.000 2.119 101 R HA 0.015 4.372 4.340 0.028 0.000 0.222 101 R C 1.926 178.154 176.300 -0.120 0.000 1.088 101 R CA 0.973 56.996 56.100 -0.129 0.000 0.984 101 R CB -0.277 29.961 30.300 -0.104 0.000 0.884 101 R HN 0.420 nan 8.270 nan 0.000 0.447 102 L N 1.291 122.417 121.223 -0.162 0.000 2.083 102 L HA -0.166 4.191 4.340 0.028 0.000 0.209 102 L C 1.888 178.712 176.870 -0.077 0.000 1.083 102 L CA 1.779 56.567 54.840 -0.087 0.000 0.752 102 L CB -0.235 41.781 42.059 -0.072 0.000 0.899 102 L HN 0.220 nan 8.230 nan 0.000 0.433 103 Q N -1.700 118.027 119.800 -0.121 0.000 2.119 103 Q HA -0.174 4.183 4.340 0.028 0.000 0.201 103 Q C 2.386 178.345 176.000 -0.070 0.000 0.972 103 Q CA 1.532 57.281 55.803 -0.090 0.000 0.847 103 Q CB -0.264 28.413 28.738 -0.103 0.000 0.903 103 Q HN 0.568 nan 8.270 nan 0.000 0.433 104 S N 0.113 115.768 115.700 -0.075 0.000 2.368 104 S HA -0.111 4.376 4.470 0.028 0.000 0.224 104 S C 2.058 176.626 174.600 -0.053 0.000 1.029 104 S CA 1.282 59.446 58.200 -0.061 0.000 0.988 104 S CB -0.051 63.112 63.200 -0.062 0.000 0.838 104 S HN 0.275 nan 8.310 nan 0.000 0.462 105 S N 1.392 117.064 115.700 -0.046 0.000 2.383 105 S HA 0.052 4.539 4.470 0.028 0.000 0.227 105 S C 2.199 176.781 174.600 -0.030 0.000 1.026 105 S CA 0.982 59.164 58.200 -0.028 0.000 0.981 105 S CB -0.614 62.582 63.200 -0.006 0.000 0.818 105 S HN 0.686 nan 8.310 nan 0.000 0.472 106 A N 2.136 124.939 122.820 -0.028 0.000 1.877 106 A HA -0.129 4.208 4.320 0.028 0.000 0.216 106 A C 2.151 179.695 177.584 -0.066 0.000 1.186 106 A CA 1.297 53.309 52.037 -0.041 0.000 0.620 106 A CB -0.480 18.493 19.000 -0.045 0.000 0.822 106 A HN 0.410 nan 8.150 nan 0.000 0.443 107 R N -1.254 119.210 120.500 -0.061 0.000 2.081 107 R HA -0.144 4.213 4.340 0.028 0.000 0.235 107 R C 2.414 178.674 176.300 -0.068 0.000 1.131 107 R CA 1.595 57.659 56.100 -0.060 0.000 0.960 107 R CB -0.281 29.988 30.300 -0.051 0.000 0.856 107 R HN 0.416 nan 8.270 nan 0.000 0.436 108 R N 0.715 121.169 120.500 -0.077 0.000 2.148 108 R HA -0.029 4.328 4.340 0.028 0.000 0.227 108 R C 1.240 177.456 176.300 -0.140 0.000 1.103 108 R CA 1.171 57.211 56.100 -0.100 0.000 0.983 108 R CB -0.063 30.175 30.300 -0.104 0.000 0.874 108 R HN 0.104 nan 8.270 nan 0.000 0.451 109 L N 0.169 121.308 121.223 -0.140 0.000 2.700 109 L HA 0.392 4.749 4.340 0.028 0.000 0.234 109 L C 0.249 177.080 176.870 -0.066 0.000 1.156 109 L CA 0.486 55.232 54.840 -0.158 0.000 0.946 109 L CB -0.807 41.146 42.059 -0.177 0.000 1.216 109 L HN 0.346 nan 8.230 nan 0.000 0.493 110 A N 0.763 123.546 122.820 -0.062 0.000 2.739 110 A HA -0.223 4.114 4.320 0.028 0.000 0.296 110 A C 0.226 177.780 177.584 -0.050 0.000 1.488 110 A CA 0.711 52.725 52.037 -0.038 0.000 0.746 110 A CB -2.281 16.716 19.000 -0.005 0.000 1.047 110 A HN 0.343 nan 8.150 nan 0.000 0.477 111 I N -0.356 120.130 120.570 -0.140 0.000 2.530 111 I HA 0.400 4.587 4.170 0.028 0.000 0.297 111 I C -2.267 173.618 176.117 -0.386 0.000 1.011 111 I CA -2.753 58.317 61.300 -0.384 0.000 1.107 111 I CB 2.087 39.919 38.000 -0.280 0.000 1.285 111 I HN 0.034 nan 8.210 nan 0.000 0.436 112 P HA 0.062 nan 4.420 nan 0.000 0.265 112 P C -0.883 176.396 177.300 -0.035 0.000 1.193 112 P CA -0.052 62.816 63.100 -0.386 0.000 0.765 112 P CB 0.378 31.497 31.700 -0.968 0.000 0.823 113 E N 1.395 121.627 120.200 0.055 0.000 2.383 113 E HA 0.222 4.589 4.350 0.028 0.000 0.264 113 E C -0.415 176.277 176.600 0.154 0.000 1.050 113 E CA -0.568 55.871 56.400 0.065 0.000 0.896 113 E CB 0.474 30.182 29.700 0.014 0.000 0.982 113 E HN 0.278 nan 8.360 nan 0.000 0.424 114 L N 4.622 125.781 121.223 -0.107 0.000 2.282 114 L HA 0.363 4.720 4.340 0.028 0.000 0.288 114 L C -2.522 174.200 176.870 -0.246 0.000 1.033 114 L CA -1.985 52.584 54.840 -0.452 0.000 0.807 114 L CB 1.003 42.587 42.059 -0.793 0.000 1.209 114 L HN 0.266 nan 8.230 nan 0.000 0.423 115 P HA -0.028 nan 4.420 nan 0.000 0.265 115 P C 0.305 177.557 177.300 -0.081 0.000 1.187 115 P CA 0.179 63.231 63.100 -0.081 0.000 0.766 115 P CB 0.527 32.207 31.700 -0.033 0.000 0.820 116 E N 2.204 122.368 120.200 -0.059 0.000 2.118 116 E HA -0.275 4.092 4.350 0.028 0.000 0.195 116 E C 0.919 177.542 176.600 0.037 0.000 0.992 116 E CA 1.553 57.929 56.400 -0.041 0.000 0.804 116 E CB 0.134 29.799 29.700 -0.059 0.000 0.741 116 E HN 0.449 nan 8.360 nan 0.000 0.458 117 E N 0.038 120.251 120.200 0.021 0.000 2.110 117 E HA -0.150 4.217 4.350 0.028 0.000 0.193 117 E C 2.124 178.756 176.600 0.054 0.000 0.988 117 E CA 1.156 57.579 56.400 0.038 0.000 0.804 117 E CB -0.218 29.501 29.700 0.032 0.000 0.745 117 E HN 0.114 nan 8.360 nan 0.000 0.458 118 V N 0.639 120.570 119.914 0.028 0.000 2.453 118 V HA -0.186 3.951 4.120 0.028 0.000 0.247 118 V C 1.895 177.991 176.094 0.002 0.000 1.048 118 V CA 1.513 63.832 62.300 0.032 0.000 1.049 118 V CB -0.465 31.294 31.823 -0.107 0.000 0.672 118 V HN 0.212 nan 8.190 nan 0.000 0.457 119 F N 0.610 120.442 119.950 -0.196 0.000 2.075 119 F HA -0.197 4.347 4.527 0.028 0.000 0.297 119 F C 2.222 177.982 175.800 -0.067 0.000 1.113 119 F CA 1.792 59.681 58.000 -0.185 0.000 1.218 119 F CB -0.168 38.725 39.000 -0.177 0.000 0.984 119 F HN 0.013 nan 8.300 nan 0.000 0.472 120 I N 0.567 121.265 120.570 0.214 0.000 2.226 120 I HA -0.247 3.940 4.170 0.028 0.000 0.245 120 I C 2.368 178.448 176.117 -0.062 0.000 1.100 120 I CA 1.559 62.916 61.300 0.095 0.000 1.374 120 I CB -1.542 36.520 38.000 0.103 0.000 1.057 120 I HN 0.236 nan 8.210 nan 0.000 0.413 121 E N 1.479 121.638 120.200 -0.068 0.000 2.110 121 E HA -0.184 4.183 4.350 0.028 0.000 0.193 121 E C 2.321 178.685 176.600 -0.393 0.000 0.988 121 E CA 1.744 58.024 56.400 -0.200 0.000 0.804 121 E CB -0.176 29.453 29.700 -0.118 0.000 0.745 121 E HN 0.532 nan 8.360 nan 0.000 0.458 122 S N -0.149 115.407 115.700 -0.239 0.000 2.382 122 S HA -0.163 4.324 4.470 0.028 0.000 0.228 122 S C 2.086 176.556 174.600 -0.217 0.000 1.027 122 S CA 1.266 59.359 58.200 -0.177 0.000 0.991 122 S CB -0.650 62.599 63.200 0.082 0.000 0.823 122 S HN 0.340 nan 8.310 nan 0.000 0.469 123 L N 0.914 121.996 121.223 -0.235 0.000 2.027 123 L HA -0.043 4.314 4.340 0.028 0.000 0.206 123 L C 3.199 179.974 176.870 -0.158 0.000 1.074 123 L CA 1.534 56.260 54.840 -0.191 0.000 0.745 123 L CB -0.599 41.357 42.059 -0.171 0.000 0.898 123 L HN 0.280 nan 8.230 nan 0.000 0.433 124 R N -0.286 120.111 120.500 -0.172 0.000 2.081 124 R HA -0.161 4.196 4.340 0.028 0.000 0.235 124 R C 2.395 178.585 176.300 -0.183 0.000 1.131 124 R CA 1.099 57.106 56.100 -0.155 0.000 0.960 124 R CB -0.341 29.867 30.300 -0.153 0.000 0.856 124 R HN 0.426 nan 8.270 nan 0.000 0.436 125 Q N 0.662 120.291 119.800 -0.285 0.000 2.096 125 Q HA -0.164 4.193 4.340 0.028 0.000 0.204 125 Q C 2.223 178.122 176.000 -0.168 0.000 0.982 125 Q CA 1.154 56.783 55.803 -0.289 0.000 0.850 125 Q CB -0.358 28.074 28.738 -0.510 0.000 0.901 125 Q HN 0.220 nan 8.270 nan 0.000 0.422 126 L N 0.656 121.797 121.223 -0.135 0.000 2.056 126 L HA -0.124 4.233 4.340 0.028 0.000 0.207 126 L C 2.007 178.844 176.870 -0.055 0.000 1.078 126 L CA 1.347 56.142 54.840 -0.074 0.000 0.749 126 L CB -0.525 41.499 42.059 -0.058 0.000 0.901 126 L HN 0.102 nan 8.230 nan 0.000 0.433 127 I N 0.065 120.599 120.570 -0.061 0.000 2.315 127 I HA -0.185 4.002 4.170 0.028 0.000 0.248 127 I C 2.651 178.751 176.117 -0.028 0.000 1.117 127 I CA 1.258 62.541 61.300 -0.029 0.000 1.404 127 I CB -1.920 36.058 38.000 -0.037 0.000 1.071 127 I HN 0.333 nan 8.210 nan 0.000 0.419 128 A N 0.880 123.663 122.820 -0.061 0.000 1.978 128 A HA -0.159 4.178 4.320 0.028 0.000 0.220 128 A C 2.338 179.888 177.584 -0.056 0.000 1.170 128 A CA 2.437 54.438 52.037 -0.060 0.000 0.636 128 A CB -0.716 18.233 19.000 -0.084 0.000 0.810 128 A HN 0.390 nan 8.150 nan 0.000 0.448 129 V N -4.449 115.416 119.914 -0.082 0.000 3.085 129 V HA 0.174 4.311 4.120 0.028 0.000 0.245 129 V C 0.716 176.818 176.094 0.013 0.000 1.114 129 V CA 1.154 63.381 62.300 -0.122 0.000 1.108 129 V CB -0.121 31.474 31.823 -0.379 0.000 0.798 129 V HN 0.241 nan 8.190 nan 0.000 0.471 130 D N 0.851 121.301 120.400 0.084 0.000 2.463 130 D HA 0.109 4.766 4.640 0.028 0.000 0.224 130 D C 1.768 178.235 176.300 0.278 0.000 1.174 130 D CA 0.175 54.340 54.000 0.275 0.000 0.829 130 D CB 0.368 41.269 40.800 0.168 0.000 0.993 130 D HN 0.535 nan 8.370 nan 0.000 0.497 131 E N 2.045 122.332 120.200 0.144 0.000 2.130 131 E HA -0.252 4.115 4.350 0.028 0.000 0.196 131 E C 1.467 178.132 176.600 0.108 0.000 0.998 131 E CA 1.077 57.538 56.400 0.101 0.000 0.806 131 E CB 0.145 29.875 29.700 0.049 0.000 0.738 131 E HN 0.429 nan 8.360 nan 0.000 0.459 132 K N -0.996 119.459 120.400 0.092 0.000 2.442 132 K HA -0.141 4.196 4.320 0.028 0.000 0.198 132 K C 1.539 178.077 176.600 -0.104 0.000 1.044 132 K CA 1.304 57.573 56.287 -0.030 0.000 0.948 132 K CB -0.521 31.916 32.500 -0.105 0.000 0.762 132 K HN 0.137 nan 8.250 nan 0.000 0.472 133 W N 1.667 122.968 121.300 0.000 0.000 3.003 133 W HA 0.150 4.827 4.660 0.029 0.000 0.257 133 W C -0.028 176.485 176.519 -0.010 0.000 1.308 133 W CA -0.409 56.930 57.345 -0.010 0.000 1.529 133 W CB 0.362 29.818 29.460 -0.006 0.000 1.115 133 W HN -0.253 nan 8.180 nan 0.000 0.659 134 V N 3.391 123.409 119.914 0.175 0.000 2.508 134 V HA 0.086 4.223 4.120 0.028 0.000 0.281 134 V C -1.623 174.519 176.094 0.079 0.000 1.041 134 V CA -1.777 60.590 62.300 0.112 0.000 1.016 134 V CB 0.144 32.018 31.823 0.085 0.000 0.984 134 V HN -0.303 nan 8.190 nan 0.000 0.478 135 P HA 0.137 nan 4.420 nan 0.000 0.269 135 P C -2.398 174.946 177.300 0.074 0.000 1.217 135 P CA -0.827 62.313 63.100 0.066 0.000 0.783 135 P CB -0.185 31.563 31.700 0.080 0.000 0.898 136 P HA 0.099 nan 4.420 nan 0.000 0.272 136 P C -0.664 176.694 177.300 0.097 0.000 1.240 136 P CA -0.074 63.064 63.100 0.064 0.000 0.791 136 P CB 0.441 32.163 31.700 0.037 0.000 0.978 137 A N 0.189 123.072 122.820 0.105 0.000 2.280 137 A HA 0.549 4.886 4.320 0.028 0.000 0.268 137 A C 1.363 178.994 177.584 0.077 0.000 1.111 137 A CA 0.348 52.462 52.037 0.127 0.000 0.814 137 A CB -0.955 18.128 19.000 0.139 0.000 1.093 137 A HN 0.827 nan 8.150 nan 0.000 0.498 138 G N -1.604 107.231 108.800 0.058 0.000 2.217 138 G HA2 0.057 4.034 3.960 0.028 0.000 0.246 138 G HA3 0.057 4.034 3.960 0.028 0.000 0.246 138 G C 0.862 175.778 174.900 0.026 0.000 0.990 138 G CA 0.671 45.782 45.100 0.018 0.000 0.627 138 G HN 1.954 nan 8.290 nan 0.000 0.522 139 G N -0.537 108.300 108.800 0.061 0.000 3.075 139 G HA2 0.625 4.602 3.960 0.028 0.000 0.253 139 G HA3 0.625 4.602 3.960 0.028 0.000 0.253 139 G C 0.540 175.500 174.900 0.101 0.000 1.353 139 G CA 0.596 45.736 45.100 0.068 0.000 1.051 139 G HN 0.511 nan 8.290 nan 0.000 0.553 140 E N -0.263 120.005 120.200 0.113 0.000 2.501 140 E HA 0.119 4.486 4.350 0.028 0.000 0.201 140 E C 0.029 176.738 176.600 0.181 0.000 1.016 140 E CA 0.024 56.514 56.400 0.151 0.000 0.920 140 E CB 0.281 30.064 29.700 0.138 0.000 1.023 140 E HN 0.565 nan 8.360 nan 0.000 0.474 141 E N 1.273 121.567 120.200 0.156 0.000 2.349 141 E HA 0.369 4.736 4.350 0.028 0.000 0.262 141 E C -0.067 176.625 176.600 0.152 0.000 1.088 141 E CA -0.145 56.342 56.400 0.145 0.000 0.899 141 E CB 1.103 30.868 29.700 0.108 0.000 1.044 141 E HN 0.273 nan 8.360 nan 0.000 0.420 142 S N 0.699 116.464 115.700 0.109 0.000 2.724 142 S HA 0.465 4.952 4.470 0.028 0.000 0.278 142 S C -1.698 172.921 174.600 0.032 0.000 1.190 142 S CA -0.985 57.228 58.200 0.023 0.000 0.860 142 S CB 0.766 63.866 63.200 -0.166 0.000 1.206 142 S HN 0.260 nan 8.310 nan 0.000 0.507 143 L N 1.995 123.201 121.223 -0.030 0.000 2.298 143 L HA 0.588 4.945 4.340 0.028 0.000 0.284 143 L C -1.249 175.637 176.870 0.026 0.000 1.013 143 L CA -0.632 54.222 54.840 0.023 0.000 0.824 143 L CB 0.820 42.893 42.059 0.023 0.000 1.221 143 L HN 0.800 nan 8.230 nan 0.000 0.418 144 Y N 5.612 125.880 120.300 -0.053 0.000 2.359 144 Y HA 0.501 5.068 4.550 0.028 0.000 0.334 144 Y C -0.839 175.045 175.900 -0.027 0.000 1.058 144 Y CA -0.313 57.770 58.100 -0.027 0.000 1.244 144 Y CB 0.604 39.023 38.460 -0.068 0.000 1.187 144 Y HN 0.527 nan 8.280 nan 0.000 0.510 145 L N 7.482 128.402 121.223 -0.505 0.000 2.287 145 L HA 0.500 4.857 4.340 0.028 0.000 0.287 145 L C -0.408 176.161 176.870 -0.501 0.000 1.022 145 L CA -0.990 53.632 54.840 -0.363 0.000 0.814 145 L CB 1.316 43.249 42.059 -0.210 0.000 1.217 145 L HN 0.482 nan 8.230 nan 0.000 0.420 146 R N 6.014 126.374 120.500 -0.233 0.000 2.335 146 R HA 0.435 4.792 4.340 0.028 0.000 0.302 146 R C -2.772 173.607 176.300 0.131 0.000 1.147 146 R CA -2.062 53.996 56.100 -0.071 0.000 1.111 146 R CB 0.799 31.089 30.300 -0.017 0.000 1.122 146 R HN 0.205 nan 8.270 nan 0.000 0.557 147 P HA 0.349 nan 4.420 nan 0.000 0.288 147 P C -1.189 176.370 177.300 0.433 0.000 1.267 147 P CA -0.355 62.846 63.100 0.169 0.000 0.815 147 P CB 0.825 32.640 31.700 0.192 0.000 0.989 148 F N -0.182 119.730 119.950 -0.063 0.000 2.668 148 F HA 0.708 5.252 4.527 0.028 0.000 0.309 148 F C -1.849 174.021 175.800 0.118 0.000 1.117 148 F CA -1.380 56.688 58.000 0.112 0.000 0.951 148 F CB 1.193 40.261 39.000 0.113 0.000 1.323 148 F HN -0.005 nan 8.300 nan 0.000 0.451 149 V N 4.249 124.356 119.914 0.322 0.000 2.588 149 V HA 0.614 4.751 4.120 0.028 0.000 0.304 149 V C -0.414 175.879 176.094 0.332 0.000 1.042 149 V CA -0.677 61.794 62.300 0.286 0.000 0.877 149 V CB 1.755 33.793 31.823 0.358 0.000 0.996 149 V HN 0.799 nan 8.190 nan 0.000 0.425 150 I N 1.770 122.515 120.570 0.293 0.000 2.785 150 I HA 0.912 5.099 4.170 0.028 0.000 0.302 150 I C -0.047 176.243 176.117 0.288 0.000 1.069 150 I CA -1.092 60.381 61.300 0.288 0.000 1.045 150 I CB 2.067 40.189 38.000 0.204 0.000 1.236 150 I HN 0.652 nan 8.210 nan 0.000 0.429 151 A N 3.334 126.278 122.820 0.207 0.000 2.347 151 A HA 0.518 4.855 4.320 0.028 0.000 0.287 151 A C 0.932 178.471 177.584 -0.074 0.000 1.199 151 A CA 0.145 52.139 52.037 -0.072 0.000 0.851 151 A CB -0.272 18.709 19.000 -0.031 0.000 1.118 151 A HN 0.924 nan 8.150 nan 0.000 0.525 152 T N -0.347 114.121 114.554 -0.142 0.000 3.023 152 T HA 0.155 4.522 4.350 0.028 0.000 0.253 152 T C 0.498 175.153 174.700 -0.075 0.000 1.038 152 T CA 0.160 62.219 62.100 -0.067 0.000 0.962 152 T CB -0.200 68.648 68.868 -0.032 0.000 1.018 152 T HN 0.702 nan 8.240 nan 0.000 0.521 153 E N 3.872 123.993 120.200 -0.131 0.000 2.376 153 E HA 0.164 4.531 4.350 0.028 0.000 0.266 153 E C -2.134 174.441 176.600 -0.043 0.000 1.009 153 E CA -2.031 54.316 56.400 -0.088 0.000 0.902 153 E CB 0.786 30.416 29.700 -0.116 0.000 0.972 153 E HN 0.249 nan 8.360 nan 0.000 0.439 154 P HA 0.242 nan 4.420 nan 0.000 0.275 154 P C -0.441 176.847 177.300 -0.020 0.000 1.266 154 P CA -0.068 63.021 63.100 -0.019 0.000 0.793 154 P CB 0.749 32.439 31.700 -0.018 0.000 1.074 155 G N -0.340 108.440 108.800 -0.032 0.000 3.187 155 G HA2 -0.072 3.905 3.960 0.028 0.000 0.682 155 G HA3 -0.072 3.905 3.960 0.028 0.000 0.682 155 G C -0.032 174.861 174.900 -0.012 0.000 1.266 155 G CA -0.709 44.379 45.100 -0.020 0.000 0.902 155 G HN 0.394 nan 8.290 nan 0.000 0.589 156 L N 1.490 122.699 121.223 -0.023 0.000 2.612 156 L HA 0.292 4.649 4.340 0.028 0.000 0.230 156 L C 1.867 178.837 176.870 0.166 0.000 1.140 156 L CA 0.533 55.387 54.840 0.023 0.000 0.896 156 L CB -0.030 41.991 42.059 -0.064 0.000 1.065 156 L HN 0.711 nan 8.230 nan 0.000 0.447 157 G N 0.276 109.131 108.800 0.092 0.000 2.432 157 G HA2 0.341 4.318 3.960 0.028 0.000 0.257 157 G HA3 0.341 4.318 3.960 0.028 0.000 0.257 157 G C -0.246 174.646 174.900 -0.014 0.000 1.238 157 G CA -0.296 44.822 45.100 0.029 0.000 0.838 157 G HN -0.104 nan 8.290 nan 0.000 0.547 158 V N 4.992 124.786 119.914 -0.200 0.000 2.405 158 V HA 0.511 4.648 4.120 0.028 0.000 0.264 158 V C 0.396 176.386 176.094 -0.173 0.000 1.048 158 V CA -0.077 61.977 62.300 -0.410 0.000 0.966 158 V CB -0.412 31.096 31.823 -0.526 0.000 1.015 158 V HN 1.031 nan 8.190 nan 0.000 0.477 159 R N 5.635 126.083 120.500 -0.086 0.000 2.828 159 R HA 0.381 4.738 4.340 0.028 0.000 0.280 159 R C -3.546 172.771 176.300 0.028 0.000 1.020 159 R CA -1.507 54.578 56.100 -0.026 0.000 0.855 159 R CB 0.487 30.777 30.300 -0.016 0.000 1.278 159 R HN 0.358 nan 8.270 nan 0.000 0.495 160 P HA 0.066 nan 4.420 nan 0.000 0.268 160 P C -0.053 177.297 177.300 0.083 0.000 1.204 160 P CA 0.036 63.191 63.100 0.091 0.000 0.768 160 P CB 0.709 32.462 31.700 0.089 0.000 0.842 161 S N 2.269 118.007 115.700 0.063 0.000 2.584 161 S HA 0.059 4.546 4.470 0.028 0.000 0.270 161 S C 1.088 175.626 174.600 -0.103 0.000 1.346 161 S CA -0.304 57.811 58.200 -0.142 0.000 1.018 161 S CB -0.167 62.740 63.200 -0.488 0.000 0.899 161 S HN 0.364 nan 8.310 nan 0.000 0.542 162 N N 1.727 120.358 118.700 -0.116 0.000 2.184 162 N HA 0.209 4.966 4.740 0.028 0.000 0.206 162 N C -0.878 174.671 175.510 0.065 0.000 1.151 162 N CA 0.146 53.233 53.050 0.061 0.000 0.878 162 N CB 0.588 39.109 38.487 0.057 0.000 1.014 162 N HN 0.646 nan 8.380 nan 0.000 0.512 163 E N -0.018 120.045 120.200 -0.228 0.000 2.256 163 E HA 0.400 4.767 4.350 0.028 0.000 0.268 163 E C -1.280 175.068 176.600 -0.420 0.000 0.877 163 E CA -0.523 55.809 56.400 -0.115 0.000 0.757 163 E CB 1.885 31.537 29.700 -0.081 0.000 1.183 163 E HN 0.012 nan 8.360 nan 0.000 0.418 164 Y N 0.242 120.581 120.300 0.065 0.000 2.609 164 Y HA 0.528 5.095 4.550 0.028 0.000 0.342 164 Y C -0.352 175.625 175.900 0.129 0.000 1.058 164 Y CA -1.084 57.050 58.100 0.058 0.000 1.055 164 Y CB 2.148 40.598 38.460 -0.017 0.000 1.292 164 Y HN 0.302 nan 8.280 nan 0.000 0.476 165 R N 1.312 122.018 120.500 0.343 0.000 2.538 165 R HA 0.393 4.750 4.340 0.028 0.000 0.292 165 R C -2.203 174.256 176.300 0.265 0.000 1.008 165 R CA -0.790 55.467 56.100 0.261 0.000 0.896 165 R CB 1.310 31.653 30.300 0.071 0.000 1.187 165 R HN 0.772 nan 8.270 nan 0.000 0.440 166 Y N 5.612 126.026 120.300 0.189 0.000 2.328 166 Y HA 0.509 5.076 4.550 0.028 0.000 0.337 166 Y C -1.495 174.272 175.900 -0.221 0.000 1.008 166 Y CA -0.436 57.642 58.100 -0.037 0.000 1.129 166 Y CB 0.860 39.238 38.460 -0.136 0.000 1.185 166 Y HN 0.502 nan 8.280 nan 0.000 0.476 167 L N 6.577 127.091 121.223 -1.181 0.000 2.341 167 L HA 0.599 4.956 4.340 0.028 0.000 0.267 167 L C -1.582 174.633 176.870 -1.092 0.000 1.009 167 L CA -1.328 52.857 54.840 -1.092 0.000 0.819 167 L CB 2.195 43.521 42.059 -1.221 0.000 1.323 167 L HN 0.653 nan 8.230 nan 0.000 0.425 168 L N 3.954 124.858 121.223 -0.533 0.000 2.441 168 L HA 0.643 5.000 4.340 0.028 0.000 0.270 168 L C -0.871 175.976 176.870 -0.039 0.000 0.973 168 L CA -0.155 54.533 54.840 -0.253 0.000 0.842 168 L CB 1.472 43.401 42.059 -0.218 0.000 1.239 168 L HN 0.472 nan 8.230 nan 0.000 0.406 169 I N 1.774 122.393 120.570 0.081 0.000 2.846 169 I HA 1.037 5.224 4.170 0.028 0.000 0.307 169 I C -0.724 175.429 176.117 0.060 0.000 1.053 169 I CA -0.905 60.468 61.300 0.122 0.000 1.050 169 I CB 2.255 40.384 38.000 0.215 0.000 1.239 169 I HN 0.699 nan 8.210 nan 0.000 0.439 170 A N 2.468 125.318 122.820 0.052 0.000 2.414 170 A HA 0.774 5.111 4.320 0.028 0.000 0.306 170 A C -0.841 176.750 177.584 0.012 0.000 1.054 170 A CA -0.580 51.458 52.037 0.002 0.000 0.724 170 A CB 1.779 20.749 19.000 -0.051 0.000 1.267 170 A HN 0.744 nan 8.150 nan 0.000 0.418 171 S N 2.176 117.884 115.700 0.014 0.000 2.614 171 S HA 0.705 5.192 4.470 0.028 0.000 0.288 171 S C -3.083 171.476 174.600 -0.068 0.000 1.137 171 S CA -1.370 56.764 58.200 -0.110 0.000 0.992 171 S CB 1.351 64.431 63.200 -0.200 0.000 1.026 171 S HN 0.401 nan 8.310 nan 0.000 0.486 172 P HA 0.276 nan 4.420 nan 0.000 0.265 172 P C -1.472 175.847 177.300 0.032 0.000 1.193 172 P CA -0.019 63.118 63.100 0.061 0.000 0.765 172 P CB 0.562 32.340 31.700 0.130 0.000 0.823 173 A N 3.465 126.342 122.820 0.096 0.000 2.332 173 A HA 0.675 5.012 4.320 0.028 0.000 0.300 173 A C 0.510 178.192 177.584 0.164 0.000 1.153 173 A CA -0.417 51.727 52.037 0.178 0.000 0.764 173 A CB 0.857 20.044 19.000 0.313 0.000 1.174 173 A HN 0.556 nan 8.150 nan 0.000 0.467 174 G N 0.738 109.625 108.800 0.145 0.000 2.535 174 G HA2 0.578 4.555 3.960 0.028 0.000 0.282 174 G HA3 0.578 4.555 3.960 0.028 0.000 0.282 174 G C 0.520 175.494 174.900 0.123 0.000 1.350 174 G CA -0.011 45.153 45.100 0.108 0.000 1.039 174 G HN 1.631 nan 8.290 nan 0.000 0.509 175 A N -1.207 121.673 122.820 0.100 0.000 2.524 175 A HA 0.262 4.599 4.320 0.028 0.000 0.250 175 A C 0.790 178.426 177.584 0.085 0.000 1.078 175 A CA -0.137 51.974 52.037 0.123 0.000 0.761 175 A CB -0.059 19.008 19.000 0.112 0.000 1.012 175 A HN 0.737 nan 8.150 nan 0.000 0.500 176 Y N 2.634 122.902 120.300 -0.053 0.000 2.181 176 Y HA -0.103 4.464 4.550 0.028 0.000 0.288 176 Y C 0.323 175.951 175.900 -0.453 0.000 1.146 176 Y CA 1.820 59.740 58.100 -0.300 0.000 1.164 176 Y CB -0.035 38.161 38.460 -0.440 0.000 0.982 176 Y HN 0.600 nan 8.280 nan 0.000 0.515 177 F N 1.804 121.807 119.950 0.088 0.000 2.344 177 F HA 0.239 4.783 4.527 0.028 0.000 0.344 177 F C 1.237 177.039 175.800 0.002 0.000 1.140 177 F CA -0.955 57.056 58.000 0.018 0.000 1.256 177 F CB 0.212 39.254 39.000 0.071 0.000 1.573 177 F HN -0.058 nan 8.300 nan 0.000 0.547 178 K N 0.538 120.973 120.400 0.059 0.000 2.015 178 K HA -0.167 4.170 4.320 0.028 0.000 0.220 178 K C 1.323 177.963 176.600 0.066 0.000 1.055 178 K CA 1.708 58.021 56.287 0.043 0.000 0.951 178 K CB -0.646 31.849 32.500 -0.008 0.000 0.725 178 K HN 0.585 nan 8.250 nan 0.000 0.449 179 G N 1.226 110.065 108.800 0.065 0.000 4.464 179 G HA2 0.484 4.461 3.960 0.028 0.000 0.297 179 G HA3 0.484 4.461 3.960 0.028 0.000 0.297 179 G C -0.181 174.761 174.900 0.070 0.000 1.342 179 G CA -0.113 45.021 45.100 0.055 0.000 1.335 179 G HN 0.753 nan 8.290 nan 0.000 0.609 180 G N 0.221 109.075 108.800 0.090 0.000 2.721 180 G HA2 -0.132 3.845 3.960 0.028 0.000 0.686 180 G HA3 -0.132 3.845 3.960 0.028 0.000 0.686 180 G C -0.058 174.887 174.900 0.075 0.000 1.236 180 G CA -0.449 44.686 45.100 0.058 0.000 0.786 180 G HN 0.874 nan 8.290 nan 0.000 0.616 181 I N 0.502 121.010 120.570 -0.103 0.000 2.754 181 I HA 0.517 4.704 4.170 0.028 0.000 0.285 181 I C 0.517 176.517 176.117 -0.196 0.000 1.166 181 I CA 0.178 61.185 61.300 -0.488 0.000 1.417 181 I CB 0.426 37.969 38.000 -0.762 0.000 1.382 181 I HN 0.658 nan 8.210 nan 0.000 0.588 182 K N 8.295 128.654 120.400 -0.070 0.000 2.482 182 K HA 0.561 4.898 4.320 0.028 0.000 0.251 182 K C -2.612 174.056 176.600 0.113 0.000 0.936 182 K CA -1.763 54.573 56.287 0.081 0.000 0.791 182 K CB 1.806 34.411 32.500 0.174 0.000 1.213 182 K HN 0.308 nan 8.250 nan 0.000 0.428 183 P HA 0.102 nan 4.420 nan 0.000 0.276 183 P C -0.708 176.659 177.300 0.112 0.000 1.244 183 P CA -0.555 62.597 63.100 0.087 0.000 0.801 183 P CB 1.204 32.940 31.700 0.060 0.000 1.006 184 V N -1.206 118.784 119.914 0.126 0.000 2.919 184 V HA 0.746 4.883 4.120 0.028 0.000 0.316 184 V C -0.066 176.093 176.094 0.109 0.000 1.077 184 V CA -0.932 61.438 62.300 0.115 0.000 0.977 184 V CB 1.439 33.342 31.823 0.133 0.000 1.039 184 V HN 0.702 nan 8.190 nan 0.000 0.441 185 S N 2.248 118.005 115.700 0.096 0.000 2.578 185 S HA 0.864 5.351 4.470 0.028 0.000 0.283 185 S C -0.225 174.443 174.600 0.113 0.000 1.195 185 S CA -0.174 58.096 58.200 0.117 0.000 1.050 185 S CB 1.269 64.528 63.200 0.098 0.000 1.012 185 S HN 2.084 nan 8.310 nan 0.000 0.511 186 V N -0.501 119.475 119.914 0.103 0.000 2.864 186 V HA 0.719 4.856 4.120 0.028 0.000 0.314 186 V C -0.897 175.284 176.094 0.146 0.000 1.073 186 V CA -1.042 61.324 62.300 0.109 0.000 0.956 186 V CB 1.693 33.578 31.823 0.103 0.000 1.023 186 V HN 1.089 nan 8.190 nan 0.000 0.435 187 W N 5.334 126.614 121.300 -0.033 0.000 2.538 187 W HA 0.623 5.297 4.660 0.024 0.000 0.322 187 W C -1.774 174.725 176.519 -0.032 0.000 1.028 187 W CA -1.095 56.232 57.345 -0.029 0.000 1.228 187 W CB 1.830 31.274 29.460 -0.027 0.000 1.356 187 W HN 0.696 nan 8.180 nan 0.000 0.452 188 L N 5.800 126.589 121.223 -0.724 0.000 2.315 188 L HA 0.085 4.442 4.340 0.028 0.000 0.283 188 L C 1.088 177.425 176.870 -0.889 0.000 1.089 188 L CA -0.066 54.425 54.840 -0.581 0.000 0.833 188 L CB 0.952 42.797 42.059 -0.357 0.000 1.170 188 L HN 0.363 nan 8.230 nan 0.000 0.442 189 S N 1.265 116.686 115.700 -0.466 0.000 2.481 189 S HA -0.023 4.464 4.470 0.028 0.000 0.282 189 S C 0.912 175.495 174.600 -0.028 0.000 1.243 189 S CA -0.223 57.884 58.200 -0.156 0.000 1.078 189 S CB 0.055 63.204 63.200 -0.086 0.000 0.916 189 S HN 0.625 nan 8.310 nan 0.000 0.495 190 H N 3.544 122.597 119.070 -0.029 0.000 2.431 190 H HA 0.215 4.787 4.556 0.026 0.000 0.295 190 H C 1.834 177.146 175.328 -0.026 0.000 1.038 190 H CA 1.725 57.746 56.048 -0.045 0.000 1.360 190 H CB 0.246 29.992 29.762 -0.026 0.000 1.433 190 H HN 0.746 nan 8.280 nan 0.000 0.536 191 E N -1.153 119.075 120.200 0.047 0.000 2.250 191 E HA 0.003 4.370 4.350 0.028 0.000 0.192 191 E C -0.576 175.807 176.600 -0.362 0.000 0.986 191 E CA 0.041 56.310 56.400 -0.217 0.000 0.849 191 E CB 0.368 29.883 29.700 -0.309 0.000 0.797 191 E HN 0.409 nan 8.360 nan 0.000 0.482 192 Y N -0.801 119.597 120.300 0.164 0.000 2.549 192 Y HA 0.481 5.045 4.550 0.023 0.000 0.339 192 Y C -0.362 175.768 175.900 0.383 0.000 1.053 192 Y CA -1.178 57.078 58.100 0.261 0.000 1.105 192 Y CB 1.903 40.574 38.460 0.352 0.000 1.258 192 Y HN -0.332 nan 8.280 nan 0.000 0.478 193 V N 2.379 122.600 119.914 0.511 0.000 2.680 193 V HA 0.375 4.512 4.120 0.028 0.000 0.309 193 V C 0.621 176.691 176.094 -0.040 0.000 1.052 193 V CA -0.866 61.619 62.300 0.308 0.000 0.908 193 V CB 1.843 33.747 31.823 0.135 0.000 1.001 193 V HN 0.872 nan 8.190 nan 0.000 0.431 194 R N 2.307 122.536 120.500 -0.452 0.000 2.075 194 R HA 0.395 4.752 4.340 0.028 0.000 0.226 194 R C 0.476 176.489 176.300 -0.478 0.000 1.114 194 R CA 1.337 56.789 56.100 -1.080 0.000 0.972 194 R CB 0.299 29.701 30.300 -1.497 0.000 0.869 194 R HN 0.878 nan 8.270 nan 0.000 0.437 195 A N -0.549 122.121 122.820 -0.251 0.000 2.586 195 A HA 0.476 4.813 4.320 0.028 0.000 0.290 195 A C -1.277 176.272 177.584 -0.060 0.000 1.086 195 A CA -0.579 51.380 52.037 -0.131 0.000 0.665 195 A CB 1.375 20.297 19.000 -0.130 0.000 1.279 195 A HN 0.269 nan 8.150 nan 0.000 0.423 196 S N 0.043 115.724 115.700 -0.032 0.000 2.600 196 S HA 0.844 5.331 4.470 0.028 0.000 0.300 196 S C -3.051 171.540 174.600 -0.016 0.000 1.087 196 S CA -1.645 56.547 58.200 -0.014 0.000 0.965 196 S CB 1.169 64.368 63.200 -0.002 0.000 1.089 196 S HN 0.458 nan 8.310 nan 0.000 0.496 197 P HA 0.225 nan 4.420 nan 0.000 0.263 197 P C 1.160 178.449 177.300 -0.018 0.000 1.175 197 P CA 1.588 64.678 63.100 -0.017 0.000 0.761 197 P CB -0.028 31.665 31.700 -0.013 0.000 0.794 198 G N 1.729 110.515 108.800 -0.023 0.000 2.220 198 G HA2 -0.245 3.732 3.960 0.028 0.000 0.269 198 G HA3 -0.245 3.732 3.960 0.028 0.000 0.269 198 G C 0.815 175.698 174.900 -0.028 0.000 0.977 198 G CA 0.284 45.369 45.100 -0.025 0.000 0.634 198 G HN 0.885 nan 8.290 nan 0.000 0.539 199 G N -0.595 108.191 108.800 -0.024 0.000 2.441 199 G HA2 0.444 4.421 3.960 0.028 0.000 0.258 199 G HA3 0.444 4.421 3.960 0.028 0.000 0.258 199 G C 1.177 176.059 174.900 -0.029 0.000 1.487 199 G CA 1.519 46.607 45.100 -0.021 0.000 1.058 199 G HN 1.311 nan 8.290 nan 0.000 0.552 200 T N -3.357 111.191 114.554 -0.010 0.000 3.214 200 T HA 0.327 4.694 4.350 0.028 0.000 0.264 200 T C 1.836 176.556 174.700 0.034 0.000 1.012 200 T CA 0.710 62.807 62.100 -0.005 0.000 0.901 200 T CB 0.601 69.465 68.868 -0.007 0.000 1.070 200 T HN 0.594 nan 8.240 nan 0.000 0.561 201 G N 1.171 109.964 108.800 -0.011 0.000 2.498 201 G HA2 0.121 4.098 3.960 0.028 0.000 0.219 201 G HA3 0.121 4.098 3.960 0.028 0.000 0.219 201 G C 1.403 176.284 174.900 -0.031 0.000 1.119 201 G CA 0.391 45.465 45.100 -0.043 0.000 0.766 201 G HN 0.720 nan 8.290 nan 0.000 0.552 202 A N -0.587 122.221 122.820 -0.020 0.000 2.275 202 A HA 0.760 5.097 4.320 0.028 0.000 0.212 202 A C 1.172 178.751 177.584 -0.009 0.000 1.201 202 A CA 0.819 52.845 52.037 -0.019 0.000 0.843 202 A CB 0.049 19.032 19.000 -0.028 0.000 0.873 202 A HN 0.651 nan 8.150 nan 0.000 0.492 203 A N -0.005 122.825 122.820 0.017 0.000 2.355 203 A HA 0.611 4.947 4.320 0.028 0.000 0.324 203 A C -0.210 177.424 177.584 0.082 0.000 1.117 203 A CA -0.675 51.381 52.037 0.031 0.000 0.785 203 A CB 0.656 19.671 19.000 0.025 0.000 1.254 203 A HN 0.213 nan 8.150 nan 0.000 0.453 204 K N 1.678 122.067 120.400 -0.018 0.000 2.171 204 K HA 0.253 4.590 4.320 0.028 0.000 0.274 204 K C -1.447 175.160 176.600 0.013 0.000 1.110 204 K CA 0.313 56.493 56.287 -0.177 0.000 0.952 204 K CB 0.017 32.105 32.500 -0.687 0.000 1.309 204 K HN 0.513 nan 8.250 nan 0.000 0.414 205 F N 0.510 120.571 119.950 0.185 0.000 2.518 205 F HA 0.358 4.901 4.527 0.028 0.000 0.323 205 F C 1.045 177.139 175.800 0.490 0.000 1.129 205 F CA -0.994 57.182 58.000 0.293 0.000 0.920 205 F CB 1.336 40.431 39.000 0.159 0.000 1.160 205 F HN 0.453 nan 8.300 nan 0.000 0.440 206 G N 3.663 112.500 108.800 0.063 0.000 2.547 206 G HA2 -0.303 3.674 3.960 0.028 0.000 0.221 206 G HA3 -0.303 3.674 3.960 0.028 0.000 0.221 206 G C 1.572 176.219 174.900 -0.421 0.000 1.140 206 G CA 0.978 46.021 45.100 -0.096 0.000 0.760 206 G HN 1.084 nan 8.290 nan 0.000 0.583 207 G N 1.124 109.110 108.800 -1.357 0.000 2.505 207 G HA2 -0.326 3.651 3.960 0.028 0.000 0.220 207 G HA3 -0.326 3.651 3.960 0.028 0.000 0.220 207 G C 1.744 176.405 174.900 -0.397 0.000 1.145 207 G CA 1.289 45.857 45.100 -0.886 0.000 0.761 207 G HN 0.454 nan 8.290 nan 0.000 0.571 208 N N 0.072 118.554 118.700 -0.363 0.000 2.149 208 N HA -0.103 4.654 4.740 0.028 0.000 0.188 208 N C 1.833 177.162 175.510 -0.303 0.000 1.019 208 N CA 1.175 54.086 53.050 -0.232 0.000 0.857 208 N CB -0.465 37.876 38.487 -0.244 0.000 0.997 208 N HN 0.514 nan 8.380 nan 0.000 0.426 209 Y N 0.803 121.052 120.300 -0.085 0.000 2.243 209 Y HA 0.115 4.682 4.550 0.028 0.000 0.293 209 Y C 2.408 178.289 175.900 -0.033 0.000 1.124 209 Y CA 0.827 58.914 58.100 -0.021 0.000 1.159 209 Y CB -0.553 37.910 38.460 0.005 0.000 1.008 209 Y HN 0.017 nan 8.280 nan 0.000 0.527 210 A N 0.178 123.034 122.820 0.061 0.000 1.930 210 A HA -0.075 4.262 4.320 0.028 0.000 0.217 210 A C 2.328 179.915 177.584 0.005 0.000 1.175 210 A CA 1.587 53.635 52.037 0.019 0.000 0.627 210 A CB -1.104 17.887 19.000 -0.016 0.000 0.815 210 A HN 0.371 nan 8.150 nan 0.000 0.443 211 A N 0.059 122.867 122.820 -0.020 0.000 2.168 211 A HA 0.063 4.400 4.320 0.028 0.000 0.215 211 A C 2.246 179.829 177.584 -0.002 0.000 1.152 211 A CA 1.774 53.803 52.037 -0.013 0.000 0.716 211 A CB -0.584 18.402 19.000 -0.023 0.000 0.794 211 A HN 0.919 nan 8.150 nan 0.000 0.465 212 S N -0.732 114.982 115.700 0.023 0.000 2.503 212 S HA 0.121 4.608 4.470 0.028 0.000 0.215 212 S C 1.699 176.378 174.600 0.133 0.000 1.003 212 S CA 0.410 58.715 58.200 0.174 0.000 0.910 212 S CB -0.577 62.766 63.200 0.238 0.000 0.790 212 S HN 0.425 nan 8.310 nan 0.000 0.514 213 L N 0.422 121.678 121.223 0.055 0.000 2.021 213 L HA -0.141 4.216 4.340 0.028 0.000 0.215 213 L C 2.532 179.378 176.870 -0.040 0.000 1.074 213 L CA 1.196 56.050 54.840 0.025 0.000 0.760 213 L CB -0.784 41.283 42.059 0.014 0.000 0.889 213 L HN 0.321 nan 8.230 nan 0.000 0.433 214 L N -0.028 121.118 121.223 -0.128 0.000 2.083 214 L HA -0.153 4.204 4.340 0.028 0.000 0.209 214 L C 2.701 179.393 176.870 -0.296 0.000 1.083 214 L CA 2.026 56.733 54.840 -0.222 0.000 0.752 214 L CB -0.959 40.902 42.059 -0.329 0.000 0.899 214 L HN 0.189 nan 8.230 nan 0.000 0.433 215 A N -1.467 121.118 122.820 -0.393 0.000 1.969 215 A HA -0.246 4.091 4.320 0.028 0.000 0.218 215 A C 2.223 179.769 177.584 -0.064 0.000 1.169 215 A CA 1.602 53.510 52.037 -0.214 0.000 0.635 215 A CB -0.479 18.460 19.000 -0.102 0.000 0.810 215 A HN 0.486 nan 8.150 nan 0.000 0.445 216 Q N 0.020 119.801 119.800 -0.032 0.000 2.123 216 Q HA 0.087 4.444 4.340 0.028 0.000 0.199 216 Q C 1.961 177.956 176.000 -0.008 0.000 0.966 216 Q CA 1.924 57.727 55.803 0.000 0.000 0.845 216 Q CB -0.642 28.125 28.738 0.050 0.000 0.907 216 Q HN 0.503 nan 8.270 nan 0.000 0.439 217 A N 0.374 123.180 122.820 -0.022 0.000 1.902 217 A HA -0.236 4.101 4.320 0.028 0.000 0.217 217 A C 2.093 179.652 177.584 -0.042 0.000 1.181 217 A CA 1.663 53.684 52.037 -0.027 0.000 0.623 217 A CB -0.756 18.229 19.000 -0.025 0.000 0.818 217 A HN 0.598 nan 8.150 nan 0.000 0.443 218 Q N -0.546 119.236 119.800 -0.030 0.000 2.084 218 Q HA -0.120 4.237 4.340 0.028 0.000 0.202 218 Q C 2.190 178.074 176.000 -0.193 0.000 0.978 218 Q CA 1.510 57.279 55.803 -0.058 0.000 0.844 218 Q CB -0.354 28.434 28.738 0.083 0.000 0.898 218 Q HN 0.600 nan 8.270 nan 0.000 0.426 219 A N 0.900 123.666 122.820 -0.089 0.000 1.883 219 A HA -0.183 4.154 4.320 0.028 0.000 0.217 219 A C 2.297 179.803 177.584 -0.130 0.000 1.186 219 A CA 1.892 53.879 52.037 -0.084 0.000 0.624 219 A CB -1.083 17.986 19.000 0.116 0.000 0.822 219 A HN 0.570 nan 8.150 nan 0.000 0.444 220 A N -0.303 122.470 122.820 -0.078 0.000 1.933 220 A HA -0.160 4.177 4.320 0.028 0.000 0.218 220 A C 1.858 179.374 177.584 -0.112 0.000 1.175 220 A CA 1.622 53.617 52.037 -0.070 0.000 0.628 220 A CB -0.520 18.455 19.000 -0.043 0.000 0.814 220 A HN 0.659 nan 8.150 nan 0.000 0.444 221 E N -0.855 119.259 120.200 -0.144 0.000 2.268 221 E HA -0.079 4.288 4.350 0.028 0.000 0.195 221 E C 1.247 177.711 176.600 -0.228 0.000 0.995 221 E CA 0.749 57.055 56.400 -0.156 0.000 0.836 221 E CB -0.105 29.515 29.700 -0.133 0.000 0.763 221 E HN 0.432 nan 8.360 nan 0.000 0.491 222 M N -0.707 118.679 119.600 -0.356 0.000 2.561 222 M HA 0.145 4.642 4.480 0.028 0.000 0.238 222 M C 1.023 177.173 176.300 -0.251 0.000 1.131 222 M CA 0.482 55.505 55.300 -0.462 0.000 1.046 222 M CB 0.142 32.122 32.600 -1.032 0.000 1.532 222 M HN 0.218 nan 8.290 nan 0.000 0.497 223 G N 0.744 109.446 108.800 -0.164 0.000 2.142 223 G HA2 -0.196 3.781 3.960 0.028 0.000 0.225 223 G HA3 -0.196 3.781 3.960 0.028 0.000 0.225 223 G C -0.079 174.793 174.900 -0.048 0.000 1.015 223 G CA -0.046 44.997 45.100 -0.093 0.000 0.716 223 G HN 0.486 nan 8.290 nan 0.000 0.508 224 C N -0.346 118.938 119.300 -0.027 0.000 2.667 224 C HA 0.652 5.129 4.460 0.028 0.000 0.323 224 C C 1.341 176.351 174.990 0.034 0.000 1.214 224 C CA -0.427 58.616 59.018 0.041 0.000 1.721 224 C CB 1.789 29.612 27.740 0.139 0.000 2.275 224 C HN 0.420 nan 8.230 nan 0.000 0.491 225 D N -0.065 120.366 120.400 0.052 0.000 2.137 225 D HA 0.002 4.659 4.640 0.028 0.000 0.202 225 D C 0.414 176.749 176.300 0.059 0.000 0.970 225 D CA 1.343 55.371 54.000 0.048 0.000 0.837 225 D CB 0.242 41.077 40.800 0.059 0.000 0.981 225 D HN 0.545 nan 8.370 nan 0.000 0.475 226 Q N 0.167 120.014 119.800 0.078 0.000 2.423 226 Q HA 0.394 4.751 4.340 0.028 0.000 0.278 226 Q C -0.873 175.163 176.000 0.061 0.000 1.097 226 Q CA -0.696 55.150 55.803 0.072 0.000 0.809 226 Q CB 3.213 32.003 28.738 0.086 0.000 1.391 226 Q HN -0.070 nan 8.270 nan 0.000 0.428 227 V N 1.335 121.242 119.914 -0.010 0.000 2.567 227 V HA 0.483 4.620 4.120 0.028 0.000 0.289 227 V C -0.727 175.200 176.094 -0.278 0.000 1.049 227 V CA -0.297 61.919 62.300 -0.141 0.000 0.969 227 V CB 1.548 33.172 31.823 -0.331 0.000 0.995 227 V HN 0.530 nan 8.190 nan 0.000 0.471 228 V N 6.232 125.964 119.914 -0.304 0.000 2.555 228 V HA 0.498 4.635 4.120 0.028 0.000 0.302 228 V C -0.913 174.990 176.094 -0.319 0.000 1.038 228 V CA -0.685 61.497 62.300 -0.197 0.000 0.887 228 V CB 1.944 33.799 31.823 0.053 0.000 0.991 228 V HN 0.990 nan 8.190 nan 0.000 0.434 229 W N 4.698 126.049 121.300 0.085 0.000 2.438 229 W HA 0.730 5.404 4.660 0.023 0.000 0.324 229 W C -0.347 176.212 176.519 0.067 0.000 1.119 229 W CA -0.454 56.932 57.345 0.068 0.000 1.221 229 W CB 0.830 30.323 29.460 0.055 0.000 1.253 229 W HN 0.266 nan 8.180 nan 0.000 0.555 230 L N 3.537 124.934 121.223 0.290 0.000 2.342 230 L HA 0.297 4.654 4.340 0.028 0.000 0.271 230 L C 0.503 177.483 176.870 0.183 0.000 1.008 230 L CA -1.292 53.658 54.840 0.183 0.000 0.818 230 L CB 1.158 43.267 42.059 0.083 0.000 1.296 230 L HN 0.492 nan 8.230 nan 0.000 0.427 231 D N 1.618 122.117 120.400 0.165 0.000 2.515 231 D HA -0.086 4.571 4.640 0.028 0.000 0.232 231 D C 0.718 177.078 176.300 0.100 0.000 1.157 231 D CA 0.169 54.252 54.000 0.139 0.000 0.871 231 D CB 1.657 42.564 40.800 0.178 0.000 1.200 231 D HN 0.640 nan 8.370 nan 0.000 0.466 232 A N 2.482 125.346 122.820 0.072 0.000 2.119 232 A HA -0.023 4.314 4.320 0.028 0.000 0.217 232 A C 2.055 179.661 177.584 0.036 0.000 1.153 232 A CA 0.615 52.681 52.037 0.049 0.000 0.692 232 A CB -0.313 18.706 19.000 0.032 0.000 0.799 232 A HN 0.581 nan 8.150 nan 0.000 0.458 233 I N -0.652 119.947 120.570 0.049 0.000 2.368 233 I HA -0.049 4.138 4.170 0.028 0.000 0.238 233 I C 1.994 178.137 176.117 0.043 0.000 1.076 233 I CA 1.360 62.686 61.300 0.042 0.000 1.397 233 I CB -0.388 37.641 38.000 0.048 0.000 1.141 233 I HN 0.224 nan 8.210 nan 0.000 0.430 234 E N 0.472 120.718 120.200 0.077 0.000 2.472 234 E HA 0.121 4.488 4.350 0.028 0.000 0.196 234 E C -0.218 176.375 176.600 -0.011 0.000 1.033 234 E CA -0.143 56.284 56.400 0.046 0.000 0.886 234 E CB 0.336 30.095 29.700 0.100 0.000 0.944 234 E HN 0.144 nan 8.360 nan 0.000 0.492 235 R N 0.518 121.022 120.500 0.006 0.000 3.516 235 R HA -0.239 4.118 4.340 0.028 0.000 0.271 235 R C 0.812 177.072 176.300 -0.067 0.000 1.098 235 R CA 1.370 57.454 56.100 -0.027 0.000 0.732 235 R CB -2.316 27.935 30.300 -0.081 0.000 1.152 235 R HN 0.529 nan 8.270 nan 0.000 0.455 236 R N -2.476 117.955 120.500 -0.115 0.000 2.635 236 R HA 0.118 4.475 4.340 0.028 0.000 0.241 236 R C -0.066 176.048 176.300 -0.309 0.000 0.941 236 R CA -0.296 55.649 56.100 -0.258 0.000 1.014 236 R CB 0.351 30.399 30.300 -0.421 0.000 1.517 236 R HN 0.089 nan 8.270 nan 0.000 0.594 237 Y N 2.143 122.452 120.300 0.015 0.000 2.336 237 Y HA 0.324 4.890 4.550 0.028 0.000 0.335 237 Y C 0.476 176.401 175.900 0.043 0.000 1.046 237 Y CA -0.953 57.153 58.100 0.009 0.000 1.198 237 Y CB 1.601 40.054 38.460 -0.011 0.000 1.182 237 Y HN -0.262 nan 8.280 nan 0.000 0.502 238 V N 4.704 124.729 119.914 0.184 0.000 2.585 238 V HA -0.008 4.129 4.120 0.028 0.000 0.296 238 V C 0.421 176.611 176.094 0.159 0.000 1.035 238 V CA 0.302 62.712 62.300 0.184 0.000 1.084 238 V CB 0.882 32.820 31.823 0.192 0.000 0.953 238 V HN 0.937 nan 8.190 nan 0.000 0.483 239 E N 2.771 123.077 120.200 0.177 0.000 2.307 239 E HA 0.285 4.652 4.350 0.028 0.000 0.192 239 E C -0.121 176.556 176.600 0.128 0.000 0.967 239 E CA -0.053 56.430 56.400 0.137 0.000 1.042 239 E CB 0.760 30.549 29.700 0.148 0.000 1.126 239 E HN 0.806 nan 8.360 nan 0.000 0.484 240 E N 0.040 120.373 120.200 0.222 0.000 2.449 240 E HA 0.394 4.761 4.350 0.028 0.000 0.278 240 E C -1.286 175.482 176.600 0.280 0.000 0.992 240 E CA -0.557 55.972 56.400 0.216 0.000 0.807 240 E CB 2.510 32.339 29.700 0.215 0.000 1.350 240 E HN -0.050 nan 8.360 nan 0.000 0.462 241 M N 1.859 121.584 119.600 0.210 0.000 2.072 241 M HA 0.404 4.901 4.480 0.028 0.000 0.331 241 M C 0.343 176.781 176.300 0.230 0.000 1.004 241 M CA 0.325 55.726 55.300 0.169 0.000 0.952 241 M CB 0.413 33.084 32.600 0.119 0.000 1.511 241 M HN 0.799 nan 8.290 nan 0.000 0.422 242 G N 3.642 112.618 108.800 0.293 0.000 2.611 242 G HA2 -0.319 3.658 3.960 0.028 0.000 0.301 242 G HA3 -0.319 3.658 3.960 0.028 0.000 0.301 242 G C 0.427 175.551 174.900 0.373 0.000 1.233 242 G CA 0.138 45.461 45.100 0.372 0.000 0.993 242 G HN 1.134 nan 8.290 nan 0.000 0.553 243 G N -0.360 108.616 108.800 0.294 0.000 3.448 243 G HA2 0.528 4.505 3.960 0.028 0.000 0.261 243 G HA3 0.528 4.505 3.960 0.028 0.000 0.261 243 G C 0.438 175.471 174.900 0.222 0.000 1.173 243 G CA 0.466 45.726 45.100 0.266 0.000 0.835 243 G HN 0.528 nan 8.290 nan 0.000 0.534 244 M N 0.165 119.882 119.600 0.194 0.000 2.578 244 M HA 0.318 4.815 4.480 0.028 0.000 0.321 244 M C -0.333 176.048 176.300 0.136 0.000 1.182 244 M CA -0.687 54.707 55.300 0.157 0.000 0.965 244 M CB 1.949 34.633 32.600 0.141 0.000 1.694 244 M HN -0.045 nan 8.290 nan 0.000 0.461 245 N N 0.703 119.479 118.700 0.126 0.000 2.408 245 N HA 0.652 5.409 4.740 0.028 0.000 0.260 245 N C -1.352 174.181 175.510 0.039 0.000 1.242 245 N CA -0.368 52.729 53.050 0.078 0.000 0.959 245 N CB 0.861 39.405 38.487 0.094 0.000 1.201 245 N HN 0.412 nan 8.380 nan 0.000 0.511 246 L N 0.803 121.962 121.223 -0.108 0.000 2.370 246 L HA 0.576 4.933 4.340 0.028 0.000 0.266 246 L C -1.326 175.223 176.870 -0.534 0.000 1.002 246 L CA -0.617 54.053 54.840 -0.282 0.000 0.818 246 L CB 1.302 43.159 42.059 -0.337 0.000 1.325 246 L HN 0.408 nan 8.230 nan 0.000 0.418 247 F N 1.083 120.506 119.950 -0.877 0.000 2.576 247 F HA 0.590 5.134 4.527 0.028 0.000 0.313 247 F C -0.712 174.535 175.800 -0.920 0.000 1.078 247 F CA -0.467 57.032 58.000 -0.835 0.000 0.921 247 F CB 2.005 40.216 39.000 -1.315 0.000 1.232 247 F HN 0.058 nan 8.300 nan 0.000 0.459 248 F N 2.117 121.986 119.950 -0.135 0.000 2.477 248 F HA 0.594 5.138 4.527 0.027 0.000 0.335 248 F C -0.556 175.327 175.800 0.139 0.000 1.130 248 F CA -1.130 56.826 58.000 -0.073 0.000 0.948 248 F CB 1.602 40.555 39.000 -0.079 0.000 1.154 248 F HN -0.032 nan 8.300 nan 0.000 0.439 249 V N 4.426 124.468 119.914 0.214 0.000 2.407 249 V HA 0.344 4.481 4.120 0.028 0.000 0.278 249 V C -0.559 175.637 176.094 0.170 0.000 1.037 249 V CA -0.662 61.777 62.300 0.233 0.000 0.900 249 V CB 0.879 32.784 31.823 0.138 0.000 0.983 249 V HN 0.424 nan 8.190 nan 0.000 0.459 250 F N 3.198 123.191 119.950 0.071 0.000 2.436 250 F HA 0.777 5.321 4.527 0.028 0.000 0.340 250 F C 0.934 176.761 175.800 0.044 0.000 1.113 250 F CA 0.365 58.403 58.000 0.063 0.000 1.022 250 F CB 1.391 40.423 39.000 0.053 0.000 1.128 250 F HN 0.853 nan 8.300 nan 0.000 0.466 251 G N 1.681 110.588 108.800 0.178 0.000 2.642 251 G HA2 0.076 4.053 3.960 0.028 0.000 0.231 251 G HA3 0.076 4.053 3.960 0.028 0.000 0.231 251 G C -0.505 174.445 174.900 0.084 0.000 1.338 251 G CA -0.178 44.997 45.100 0.125 0.000 0.883 251 G HN 0.987 nan 8.290 nan 0.000 0.570 252 S N -2.142 113.605 115.700 0.078 0.000 2.672 252 S HA 0.833 5.320 4.470 0.028 0.000 0.271 252 S C 0.695 175.350 174.600 0.090 0.000 1.171 252 S CA 1.195 59.431 58.200 0.060 0.000 0.817 252 S CB 0.912 64.143 63.200 0.052 0.000 1.150 252 S HN 3.041 nan 8.310 nan 0.000 0.478 253 G N 0.782 109.642 108.800 0.101 0.000 2.692 253 G HA2 -0.079 3.898 3.960 0.028 0.000 0.248 253 G HA3 -0.079 3.898 3.960 0.028 0.000 0.248 253 G C 0.969 176.024 174.900 0.260 0.000 1.340 253 G CA 0.275 45.462 45.100 0.145 0.000 0.896 253 G HN 1.786 nan 8.290 nan 0.000 0.570 254 G N -0.613 108.324 108.800 0.228 0.000 2.470 254 G HA2 0.139 4.116 3.960 0.028 0.000 0.220 254 G HA3 0.139 4.116 3.960 0.028 0.000 0.220 254 G C 1.915 176.978 174.900 0.271 0.000 1.121 254 G CA 1.973 47.223 45.100 0.249 0.000 0.766 254 G HN 2.023 nan 8.290 nan 0.000 0.553 255 S N -0.277 115.546 115.700 0.204 0.000 2.605 255 S HA 0.627 5.114 4.470 0.028 0.000 0.217 255 S C 1.107 175.820 174.600 0.188 0.000 0.958 255 S CA 0.233 58.535 58.200 0.170 0.000 0.919 255 S CB 0.184 63.450 63.200 0.111 0.000 0.780 255 S HN 0.533 nan 8.310 nan 0.000 0.507 256 A N 1.921 124.874 122.820 0.222 0.000 2.425 256 A HA 0.565 4.902 4.320 0.028 0.000 0.242 256 A C 0.399 178.060 177.584 0.128 0.000 1.077 256 A CA -0.521 51.583 52.037 0.112 0.000 0.781 256 A CB 0.287 19.244 19.000 -0.073 0.000 1.020 256 A HN 0.647 nan 8.150 nan 0.000 0.494 257 R N 0.956 121.529 120.500 0.122 0.000 2.740 257 R HA 0.668 5.025 4.340 0.028 0.000 0.282 257 R C -1.978 174.419 176.300 0.161 0.000 0.969 257 R CA -0.680 55.493 56.100 0.122 0.000 0.918 257 R CB 0.924 31.254 30.300 0.050 0.000 1.175 257 R HN 0.550 nan 8.270 nan 0.000 0.464 258 L N 3.319 124.638 121.223 0.160 0.000 2.341 258 L HA 0.521 4.878 4.340 0.028 0.000 0.278 258 L C -0.865 176.122 176.870 0.195 0.000 1.005 258 L CA -0.683 54.307 54.840 0.250 0.000 0.818 258 L CB 2.131 44.379 42.059 0.316 0.000 1.259 258 L HN 0.330 nan 8.230 nan 0.000 0.418 259 V N 1.350 121.405 119.914 0.236 0.000 2.680 259 V HA 0.796 4.933 4.120 0.028 0.000 0.309 259 V C -0.271 175.861 176.094 0.063 0.000 1.052 259 V CA -0.428 61.927 62.300 0.092 0.000 0.908 259 V CB 2.166 34.008 31.823 0.033 0.000 1.001 259 V HN 0.797 nan 8.190 nan 0.000 0.431 260 T N 5.367 119.839 114.554 -0.136 0.000 2.956 260 T HA 0.514 4.881 4.350 0.028 0.000 0.312 260 T C -3.035 171.530 174.700 -0.225 0.000 1.151 260 T CA -1.612 60.274 62.100 -0.356 0.000 1.024 260 T CB 2.300 70.531 68.868 -1.061 0.000 1.140 260 T HN 0.380 nan 8.240 nan 0.000 0.473 261 P HA 0.073 nan 4.420 nan 0.000 0.262 261 P C -0.256 176.969 177.300 -0.126 0.000 1.182 261 P CA 0.008 63.039 63.100 -0.114 0.000 0.761 261 P CB 0.350 32.014 31.700 -0.060 0.000 0.795 262 E N 4.901 125.036 120.200 -0.109 0.000 2.392 262 E HA 0.023 4.390 4.350 0.028 0.000 0.259 262 E C -0.512 176.041 176.600 -0.077 0.000 1.108 262 E CA -0.251 56.093 56.400 -0.093 0.000 0.916 262 E CB 0.326 29.971 29.700 -0.091 0.000 0.989 262 E HN 0.358 nan 8.360 nan 0.000 0.432 263 L N 3.298 124.485 121.223 -0.061 0.000 2.505 263 L HA -0.018 4.339 4.340 0.028 0.000 0.279 263 L C 1.364 178.203 176.870 -0.052 0.000 1.211 263 L CA 0.093 54.904 54.840 -0.049 0.000 1.059 263 L CB -0.448 41.590 42.059 -0.036 0.000 1.340 263 L HN 0.589 nan 8.230 nan 0.000 0.447 264 S N 0.227 115.892 115.700 -0.057 0.000 2.595 264 S HA -0.017 4.470 4.470 0.028 0.000 0.235 264 S C 1.619 176.190 174.600 -0.048 0.000 0.974 264 S CA 0.357 58.521 58.200 -0.060 0.000 0.942 264 S CB -0.037 63.124 63.200 -0.065 0.000 0.766 264 S HN 0.938 nan 8.310 nan 0.000 0.536 265 G N 1.032 109.807 108.800 -0.042 0.000 2.253 265 G HA2 -0.348 3.629 3.960 0.028 0.000 0.251 265 G HA3 -0.348 3.629 3.960 0.028 0.000 0.251 265 G C 0.954 175.832 174.900 -0.036 0.000 0.998 265 G CA 0.658 45.735 45.100 -0.038 0.000 0.621 265 G HN 1.464 nan 8.290 nan 0.000 0.524 266 S N -0.920 114.758 115.700 -0.038 0.000 2.559 266 S HA 0.674 5.161 4.470 0.028 0.000 0.226 266 S C 0.527 175.101 174.600 -0.043 0.000 1.000 266 S CA 0.363 58.540 58.200 -0.039 0.000 0.948 266 S CB 0.653 63.831 63.200 -0.037 0.000 0.870 266 S HN 0.814 nan 8.310 nan 0.000 0.497 267 L N 2.487 123.687 121.223 -0.037 0.000 2.360 267 L HA 0.482 4.839 4.340 0.028 0.000 0.271 267 L C -0.210 176.645 176.870 -0.025 0.000 1.057 267 L CA -0.928 53.893 54.840 -0.032 0.000 0.803 267 L CB 1.452 43.493 42.059 -0.030 0.000 1.207 267 L HN 0.296 nan 8.230 nan 0.000 0.445 268 L N 6.320 127.534 121.223 -0.015 0.000 2.433 268 L HA 0.325 4.682 4.340 0.028 0.000 0.275 268 L C -2.127 174.749 176.870 0.009 0.000 1.128 268 L CA -1.274 53.567 54.840 0.001 0.000 0.875 268 L CB 0.681 42.754 42.059 0.022 0.000 1.171 268 L HN 0.520 nan 8.230 nan 0.000 0.463 269 P HA 0.111 nan 4.420 nan 0.000 0.241 269 P C 0.254 177.567 177.300 0.022 0.000 1.760 269 P CA -0.162 62.940 63.100 0.004 0.000 1.081 269 P CB 0.011 31.704 31.700 -0.012 0.000 1.975 270 G N 1.572 110.401 108.800 0.048 0.000 2.353 270 G HA2 -0.026 3.951 3.960 0.028 0.000 0.239 270 G HA3 -0.026 3.951 3.960 0.028 0.000 0.239 270 G C 1.033 175.976 174.900 0.071 0.000 1.295 270 G CA -0.319 44.827 45.100 0.077 0.000 0.884 270 G HN 0.318 nan 8.290 nan 0.000 0.537 271 I N 1.481 122.092 120.570 0.069 0.000 2.406 271 I HA -0.121 4.066 4.170 0.028 0.000 0.249 271 I C 2.870 179.036 176.117 0.081 0.000 1.122 271 I CA 1.161 62.487 61.300 0.044 0.000 1.431 271 I CB -0.177 37.853 38.000 0.050 0.000 1.087 271 I HN 0.501 nan 8.210 nan 0.000 0.424 272 T N 0.581 115.211 114.554 0.127 0.000 2.746 272 T HA -0.219 4.148 4.350 0.028 0.000 0.267 272 T C 1.995 176.773 174.700 0.131 0.000 1.039 272 T CA 1.369 63.536 62.100 0.111 0.000 1.142 272 T CB -0.319 68.606 68.868 0.096 0.000 0.866 272 T HN 0.325 nan 8.240 nan 0.000 0.444 273 R N 1.157 121.777 120.500 0.201 0.000 2.083 273 R HA -0.187 4.170 4.340 0.028 0.000 0.237 273 R C 2.181 178.649 176.300 0.280 0.000 1.137 273 R CA 2.273 58.582 56.100 0.348 0.000 0.951 273 R CB -0.515 29.955 30.300 0.283 0.000 0.851 273 R HN 0.400 nan 8.270 nan 0.000 0.434 274 D N -0.334 120.150 120.400 0.140 0.000 2.097 274 D HA -0.118 4.539 4.640 0.028 0.000 0.195 274 D C 1.662 178.002 176.300 0.067 0.000 0.989 274 D CA 1.984 56.035 54.000 0.086 0.000 0.827 274 D CB 0.043 40.848 40.800 0.008 0.000 0.966 274 D HN 0.224 nan 8.370 nan 0.000 0.456 275 S N -0.438 115.243 115.700 -0.031 0.000 2.368 275 S HA -0.089 4.398 4.470 0.028 0.000 0.225 275 S C 2.077 176.757 174.600 0.134 0.000 1.030 275 S CA 0.628 58.754 58.200 -0.123 0.000 0.999 275 S CB -0.308 62.715 63.200 -0.295 0.000 0.844 275 S HN 0.310 nan 8.310 nan 0.000 0.459 276 L N 0.967 122.254 121.223 0.106 0.000 2.093 276 L HA -0.057 4.300 4.340 0.028 0.000 0.208 276 L C 2.222 179.185 176.870 0.154 0.000 1.085 276 L CA 0.885 55.765 54.840 0.067 0.000 0.755 276 L CB -0.581 41.372 42.059 -0.178 0.000 0.904 276 L HN 0.277 nan 8.230 nan 0.000 0.435 277 L N -0.594 120.780 121.223 0.251 0.000 2.046 277 L HA -0.243 4.114 4.340 0.028 0.000 0.208 277 L C 2.699 179.707 176.870 0.230 0.000 1.077 277 L CA 1.079 56.091 54.840 0.288 0.000 0.747 277 L CB -0.386 41.838 42.059 0.275 0.000 0.896 277 L HN 0.298 nan 8.230 nan 0.000 0.432 278 Q N 0.483 120.418 119.800 0.225 0.000 2.046 278 Q HA -0.157 4.200 4.340 0.028 0.000 0.200 278 Q C 2.149 178.298 176.000 0.247 0.000 0.975 278 Q CA 1.682 57.613 55.803 0.213 0.000 0.836 278 Q CB -0.308 28.565 28.738 0.225 0.000 0.896 278 Q HN 0.439 nan 8.270 nan 0.000 0.428 279 L N -0.171 121.238 121.223 0.311 0.000 2.131 279 L HA -0.114 4.243 4.340 0.028 0.000 0.210 279 L C 2.341 179.343 176.870 0.221 0.000 1.092 279 L CA 0.925 55.933 54.840 0.279 0.000 0.759 279 L CB -0.670 41.565 42.059 0.292 0.000 0.903 279 L HN 0.322 nan 8.230 nan 0.000 0.435 280 A N -0.440 122.539 122.820 0.264 0.000 1.933 280 A HA -0.189 4.148 4.320 0.028 0.000 0.218 280 A C 2.351 180.085 177.584 0.251 0.000 1.175 280 A CA 2.261 54.535 52.037 0.394 0.000 0.628 280 A CB -0.798 18.433 19.000 0.385 0.000 0.814 280 A HN 0.373 nan 8.150 nan 0.000 0.444 281 T N 0.299 114.964 114.554 0.184 0.000 2.777 281 T HA -0.114 4.253 4.350 0.028 0.000 0.266 281 T C 1.471 176.196 174.700 0.042 0.000 1.040 281 T CA 1.467 63.635 62.100 0.113 0.000 1.141 281 T CB -0.415 68.524 68.868 0.118 0.000 0.868 281 T HN 0.461 nan 8.240 nan 0.000 0.444 282 D N 1.636 122.074 120.400 0.063 0.000 2.149 282 D HA -0.025 4.632 4.640 0.028 0.000 0.198 282 D C 2.155 178.395 176.300 -0.099 0.000 0.990 282 D CA 1.171 55.177 54.000 0.011 0.000 0.839 282 D CB -0.382 40.455 40.800 0.062 0.000 0.948 282 D HN 0.435 nan 8.370 nan 0.000 0.460 283 A N -0.524 122.187 122.820 -0.182 0.000 2.206 283 A HA 0.363 4.700 4.320 0.028 0.000 0.211 283 A C 1.809 179.050 177.584 -0.572 0.000 1.158 283 A CA 1.330 53.112 52.037 -0.426 0.000 0.761 283 A CB -0.116 18.501 19.000 -0.638 0.000 0.801 283 A HN 0.294 nan 8.150 nan 0.000 0.473 284 G N -2.319 106.263 108.800 -0.363 0.000 2.159 284 G HA2 -0.190 3.787 3.960 0.028 0.000 0.227 284 G HA3 -0.190 3.787 3.960 0.028 0.000 0.227 284 G C -0.117 174.693 174.900 -0.151 0.000 0.986 284 G CA -0.041 44.913 45.100 -0.243 0.000 0.651 284 G HN 0.273 nan 8.290 nan 0.000 0.523 285 F N 1.594 121.576 119.950 0.054 0.000 2.399 285 F HA 0.708 5.253 4.527 0.029 0.000 0.342 285 F C 0.940 176.782 175.800 0.069 0.000 1.106 285 F CA -0.788 57.252 58.000 0.068 0.000 1.196 285 F CB 1.050 40.103 39.000 0.089 0.000 1.163 285 F HN 0.310 nan 8.300 nan 0.000 0.547 286 A N 2.328 125.309 122.820 0.270 0.000 2.354 286 A HA 0.673 5.010 4.320 0.028 0.000 0.269 286 A C -0.484 177.196 177.584 0.161 0.000 1.109 286 A CA -0.451 51.680 52.037 0.157 0.000 0.800 286 A CB 0.416 19.475 19.000 0.098 0.000 1.045 286 A HN 0.848 nan 8.150 nan 0.000 0.489 287 V N -0.324 119.666 119.914 0.127 0.000 2.914 287 V HA 0.865 5.002 4.120 0.028 0.000 0.314 287 V C -0.670 175.459 176.094 0.060 0.000 1.084 287 V CA -0.733 61.645 62.300 0.130 0.000 0.963 287 V CB 1.766 33.698 31.823 0.181 0.000 1.025 287 V HN 0.918 nan 8.190 nan 0.000 0.432 288 E N 1.141 121.362 120.200 0.035 0.000 2.331 288 E HA 0.510 4.877 4.350 0.028 0.000 0.275 288 E C -1.492 175.085 176.600 -0.039 0.000 0.895 288 E CA -0.635 55.750 56.400 -0.024 0.000 0.753 288 E CB 2.958 32.606 29.700 -0.086 0.000 1.216 288 E HN 0.857 nan 8.360 nan 0.000 0.434 289 E N 2.695 122.865 120.200 -0.051 0.000 2.207 289 E HA 0.339 4.706 4.350 0.028 0.000 0.250 289 E C -0.800 175.748 176.600 -0.087 0.000 0.890 289 E CA -0.481 55.876 56.400 -0.073 0.000 0.749 289 E CB 1.013 30.682 29.700 -0.051 0.000 1.193 289 E HN 0.400 nan 8.360 nan 0.000 0.423 290 R N 0.870 121.306 120.500 -0.108 0.000 2.756 290 R HA 0.393 4.750 4.340 0.028 0.000 0.273 290 R C -1.234 174.987 176.300 -0.131 0.000 1.030 290 R CA -1.026 55.004 56.100 -0.118 0.000 0.887 290 R CB 0.532 30.765 30.300 -0.110 0.000 1.274 290 R HN -0.026 nan 8.270 nan 0.000 0.461 291 K N 0.421 120.730 120.400 -0.153 0.000 2.237 291 K HA 0.487 4.824 4.320 0.028 0.000 0.270 291 K C -0.495 176.091 176.600 -0.023 0.000 1.015 291 K CA -0.325 55.873 56.287 -0.148 0.000 0.949 291 K CB 0.837 33.081 32.500 -0.425 0.000 0.976 291 K HN 0.573 nan 8.250 nan 0.000 0.472 292 I N 2.163 122.777 120.570 0.074 0.000 2.627 292 I HA 0.107 4.294 4.170 0.028 0.000 0.288 292 I C -1.533 174.606 176.117 0.036 0.000 1.202 292 I CA -0.657 60.621 61.300 -0.036 0.000 1.050 292 I CB 1.501 39.263 38.000 -0.395 0.000 1.264 292 I HN 0.724 nan 8.210 nan 0.000 0.429 293 D N 5.873 126.271 120.400 -0.003 0.000 2.478 293 D HA 0.298 4.955 4.640 0.028 0.000 0.263 293 D C 0.983 177.277 176.300 -0.011 0.000 1.153 293 D CA -0.635 53.291 54.000 -0.125 0.000 1.038 293 D CB 1.139 41.702 40.800 -0.395 0.000 1.120 293 D HN 0.205 nan 8.370 nan 0.000 0.564 294 V N 0.336 120.236 119.914 -0.023 0.000 2.407 294 V HA -0.230 3.907 4.120 0.028 0.000 0.248 294 V C 1.642 177.713 176.094 -0.038 0.000 1.055 294 V CA 2.067 64.371 62.300 0.006 0.000 1.049 294 V CB -0.687 30.997 31.823 -0.232 0.000 0.662 294 V HN 0.556 nan 8.190 nan 0.000 0.455 295 D N -0.142 120.211 120.400 -0.078 0.000 2.092 295 D HA -0.222 4.435 4.640 0.028 0.000 0.193 295 D C 2.187 178.458 176.300 -0.048 0.000 0.994 295 D CA 1.801 55.759 54.000 -0.070 0.000 0.828 295 D CB -0.119 40.642 40.800 -0.065 0.000 0.963 295 D HN 0.626 nan 8.370 nan 0.000 0.450 296 E N -0.349 119.841 120.200 -0.017 0.000 2.077 296 E HA -0.183 4.184 4.350 0.028 0.000 0.193 296 E C 2.046 178.674 176.600 0.047 0.000 0.989 296 E CA 0.734 57.138 56.400 0.006 0.000 0.800 296 E CB -0.102 29.602 29.700 0.005 0.000 0.746 296 E HN 0.234 nan 8.360 nan 0.000 0.452 297 W N 2.061 123.268 121.300 -0.156 0.000 2.332 297 W HA -0.243 4.433 4.660 0.027 0.000 0.321 297 W C 2.281 178.641 176.519 -0.266 0.000 1.219 297 W CA 2.054 59.333 57.345 -0.109 0.000 1.277 297 W CB -1.033 28.463 29.460 0.061 0.000 1.161 297 W HN 0.201 nan 8.180 nan 0.000 0.476 298 Q N 0.385 119.978 119.800 -0.344 0.000 2.084 298 Q HA -0.242 4.115 4.340 0.028 0.000 0.202 298 Q C 2.452 178.093 176.000 -0.598 0.000 0.978 298 Q CA 2.346 57.493 55.803 -1.093 0.000 0.844 298 Q CB -0.395 27.857 28.738 -0.809 0.000 0.898 298 Q HN 0.281 nan 8.270 nan 0.000 0.426 299 K N 0.290 120.522 120.400 -0.280 0.000 2.002 299 K HA -0.172 4.165 4.320 0.028 0.000 0.209 299 K C 1.902 178.425 176.600 -0.128 0.000 1.048 299 K CA 1.616 57.803 56.287 -0.168 0.000 0.930 299 K CB 0.055 32.502 32.500 -0.088 0.000 0.714 299 K HN 0.063 nan 8.250 nan 0.000 0.438 300 K N -0.219 120.130 120.400 -0.084 0.000 2.217 300 K HA -0.032 4.305 4.320 0.028 0.000 0.202 300 K C 2.010 178.564 176.600 -0.076 0.000 1.051 300 K CA 0.861 57.113 56.287 -0.058 0.000 0.952 300 K CB 0.049 32.527 32.500 -0.037 0.000 0.736 300 K HN 0.209 nan 8.250 nan 0.000 0.453 301 A N 1.040 123.813 122.820 -0.078 0.000 1.929 301 A HA -0.029 4.308 4.320 0.028 0.000 0.216 301 A C 2.328 179.881 177.584 -0.051 0.000 1.176 301 A CA 1.644 53.677 52.037 -0.006 0.000 0.628 301 A CB -0.793 18.266 19.000 0.098 0.000 0.816 301 A HN 0.390 nan 8.150 nan 0.000 0.444 302 G N -0.633 108.076 108.800 -0.151 0.000 2.403 302 G HA2 0.125 4.102 3.960 0.028 0.000 0.216 302 G HA3 0.125 4.102 3.960 0.028 0.000 0.216 302 G C 1.513 176.384 174.900 -0.048 0.000 1.154 302 G CA 0.964 46.004 45.100 -0.099 0.000 0.784 302 G HN 0.766 nan 8.290 nan 0.000 0.538 303 A N -0.113 122.677 122.820 -0.049 0.000 2.235 303 A HA 0.430 4.767 4.320 0.028 0.000 0.208 303 A C 2.094 179.675 177.584 -0.004 0.000 1.172 303 A CA 1.365 53.389 52.037 -0.021 0.000 0.786 303 A CB -0.590 18.401 19.000 -0.015 0.000 0.804 303 A HN 1.573 nan 8.150 nan 0.000 0.479 304 G N -0.677 108.119 108.800 -0.005 0.000 2.148 304 G HA2 -0.344 3.633 3.960 0.028 0.000 0.254 304 G HA3 -0.344 3.633 3.960 0.028 0.000 0.254 304 G C 0.710 175.612 174.900 0.004 0.000 0.981 304 G CA 0.921 46.026 45.100 0.009 0.000 0.670 304 G HN 0.644 nan 8.290 nan 0.000 0.528 305 E N -0.582 119.609 120.200 -0.014 0.000 2.060 305 E HA 0.167 4.534 4.350 0.028 0.000 0.189 305 E C 1.199 177.719 176.600 -0.133 0.000 0.974 305 E CA 0.047 56.443 56.400 -0.008 0.000 0.808 305 E CB 0.027 29.753 29.700 0.043 0.000 0.768 305 E HN 0.598 nan 8.360 nan 0.000 0.453 306 I N 2.035 122.447 120.570 -0.263 0.000 2.379 306 I HA -0.003 4.184 4.170 0.028 0.000 0.290 306 I C 1.073 177.137 176.117 -0.089 0.000 1.063 306 I CA -0.006 61.062 61.300 -0.388 0.000 1.351 306 I CB 1.501 39.305 38.000 -0.327 0.000 1.410 306 I HN 0.208 nan 8.210 nan 0.000 0.505 307 T N 1.442 115.971 114.554 -0.042 0.000 3.015 307 T HA 0.275 4.642 4.350 0.028 0.000 0.250 307 T C 0.452 175.190 174.700 0.063 0.000 1.057 307 T CA 0.017 62.134 62.100 0.028 0.000 1.066 307 T CB 0.201 69.089 68.868 0.034 0.000 0.959 307 T HN 0.592 nan 8.240 nan 0.000 0.488 308 E N -0.161 120.082 120.200 0.072 0.000 2.430 308 E HA 0.695 5.062 4.350 0.028 0.000 0.279 308 E C -1.950 174.705 176.600 0.092 0.000 1.003 308 E CA -1.158 55.306 56.400 0.107 0.000 0.801 308 E CB 2.852 32.625 29.700 0.121 0.000 1.313 308 E HN -0.023 nan 8.360 nan 0.000 0.459 309 V N 1.635 121.603 119.914 0.090 0.000 2.891 309 V HA 0.599 4.736 4.120 0.028 0.000 0.304 309 V C -1.457 174.666 176.094 0.049 0.000 1.171 309 V CA -0.878 61.359 62.300 -0.105 0.000 0.943 309 V CB 1.372 33.133 31.823 -0.104 0.000 1.037 309 V HN 0.698 nan 8.190 nan 0.000 0.427 310 F N 2.134 122.019 119.950 -0.109 0.000 2.645 310 F HA 1.006 5.550 4.527 0.029 0.000 0.310 310 F C -0.323 175.475 175.800 -0.003 0.000 1.102 310 F CA -1.039 56.939 58.000 -0.036 0.000 0.952 310 F CB 1.519 40.499 39.000 -0.034 0.000 1.326 310 F HN 0.652 nan 8.300 nan 0.000 0.456 311 A N 0.879 123.853 122.820 0.256 0.000 2.320 311 A HA 0.885 5.222 4.320 0.028 0.000 0.334 311 A C -0.700 177.076 177.584 0.319 0.000 1.147 311 A CA -0.243 51.905 52.037 0.186 0.000 0.820 311 A CB 0.906 19.991 19.000 0.140 0.000 1.218 311 A HN 1.726 nan 8.150 nan 0.000 0.482 312 C N -0.569 118.890 119.300 0.264 0.000 2.898 312 C HA 1.055 5.532 4.460 0.028 0.000 0.304 312 C C 0.115 175.198 174.990 0.156 0.000 1.237 312 C CA 0.083 59.241 59.018 0.233 0.000 1.529 312 C CB 0.993 28.917 27.740 0.308 0.000 2.021 312 C HN 2.059 nan 8.230 nan 0.000 0.474 313 G N 0.950 109.807 108.800 0.096 0.000 2.466 313 G HA2 0.497 4.474 3.960 0.028 0.000 0.291 313 G HA3 0.497 4.474 3.960 0.028 0.000 0.291 313 G C -0.048 174.882 174.900 0.050 0.000 1.460 313 G CA 0.318 45.470 45.100 0.086 0.000 0.791 313 G HN 0.789 nan 8.290 nan 0.000 0.505 314 T N 0.942 115.557 114.554 0.101 0.000 2.652 314 T HA -0.061 4.306 4.350 0.028 0.000 0.267 314 T C 2.822 177.561 174.700 0.065 0.000 1.039 314 T CA 2.934 65.115 62.100 0.136 0.000 1.153 314 T CB -0.519 68.507 68.868 0.263 0.000 0.863 314 T HN 0.998 nan 8.240 nan 0.000 0.428 315 A N 1.407 124.210 122.820 -0.028 0.000 1.859 315 A HA 0.058 4.395 4.320 0.028 0.000 0.217 315 A C 2.487 179.752 177.584 -0.532 0.000 1.198 315 A CA 2.172 54.030 52.037 -0.299 0.000 0.629 315 A CB -1.076 17.546 19.000 -0.629 0.000 0.830 315 A HN 0.545 nan 8.150 nan 0.000 0.446 316 A N -2.486 119.902 122.820 -0.721 0.000 2.195 316 A HA 0.431 4.768 4.320 0.028 0.000 0.210 316 A C 1.499 178.935 177.584 -0.247 0.000 1.165 316 A CA 1.137 52.627 52.037 -0.912 0.000 0.806 316 A CB -0.264 18.077 19.000 -1.099 0.000 0.847 316 A HN 1.101 nan 8.150 nan 0.000 0.482 317 V N -1.943 117.890 119.914 -0.135 0.000 0.631 317 V HA -0.331 3.806 4.120 0.028 0.000 0.092 317 V C 0.508 176.600 176.094 -0.004 0.000 1.502 317 V CA 2.076 64.349 62.300 -0.044 0.000 3.284 317 V CB -1.440 30.367 31.823 -0.026 0.000 0.547 317 V HN 0.522 nan 8.190 nan 0.000 0.554 318 I N 0.076 120.655 120.570 0.016 0.000 2.607 318 I HA 0.560 4.747 4.170 0.028 0.000 0.290 318 I C -0.673 175.510 176.117 0.111 0.000 1.129 318 I CA -0.130 61.188 61.300 0.030 0.000 1.042 318 I CB 2.267 40.152 38.000 -0.191 0.000 1.242 318 I HN 0.346 nan 8.210 nan 0.000 0.421 319 T N 6.391 121.059 114.554 0.190 0.000 2.840 319 T HA 0.418 4.785 4.350 0.028 0.000 0.287 319 T C -2.671 172.147 174.700 0.197 0.000 0.991 319 T CA -1.408 60.844 62.100 0.253 0.000 0.964 319 T CB 1.959 71.013 68.868 0.310 0.000 0.954 319 T HN 0.178 nan 8.240 nan 0.000 0.438 320 P HA 0.338 nan 4.420 nan 0.000 0.275 320 P C -0.978 176.405 177.300 0.139 0.000 1.228 320 P CA -0.490 62.682 63.100 0.120 0.000 0.786 320 P CB 0.644 32.361 31.700 0.029 0.000 0.927 321 V N 2.567 122.567 119.914 0.143 0.000 2.378 321 V HA 0.195 4.332 4.120 0.028 0.000 0.288 321 V C 1.021 177.195 176.094 0.134 0.000 1.016 321 V CA 0.147 62.529 62.300 0.137 0.000 0.840 321 V CB 1.088 32.995 31.823 0.140 0.000 0.994 321 V HN 0.693 nan 8.190 nan 0.000 0.431 322 S N 2.194 117.966 115.700 0.120 0.000 2.526 322 S HA 0.236 4.723 4.470 0.028 0.000 0.220 322 S C 0.413 175.082 174.600 0.114 0.000 1.017 322 S CA -0.036 58.233 58.200 0.115 0.000 0.930 322 S CB 0.175 63.435 63.200 0.101 0.000 0.856 322 S HN 0.750 nan 8.310 nan 0.000 0.497 323 H N 0.174 119.214 119.070 -0.049 0.000 2.865 323 H HA 0.632 5.205 4.556 0.028 0.000 0.362 323 H C -1.998 173.164 175.328 -0.277 0.000 1.114 323 H CA -0.334 55.619 56.048 -0.158 0.000 1.208 323 H CB 2.294 32.002 29.762 -0.090 0.000 1.727 323 H HN 0.095 nan 8.280 nan 0.000 0.534 324 V N 4.612 123.955 119.914 -0.952 0.000 2.680 324 V HA 0.412 4.549 4.120 0.028 0.000 0.309 324 V C -0.288 175.387 176.094 -0.699 0.000 1.052 324 V CA -0.813 60.934 62.300 -0.923 0.000 0.908 324 V CB 2.115 32.884 31.823 -1.756 0.000 1.001 324 V HN 0.642 nan 8.190 nan 0.000 0.431 325 K N 3.300 123.548 120.400 -0.252 0.000 2.513 325 K HA 0.694 5.031 4.320 0.028 0.000 0.251 325 K C -1.297 175.306 176.600 0.006 0.000 0.939 325 K CA -0.575 55.711 56.287 -0.002 0.000 0.793 325 K CB 1.938 34.596 32.500 0.264 0.000 1.241 325 K HN 1.118 nan 8.250 nan 0.000 0.431 326 H N -0.947 118.022 119.070 -0.168 0.000 2.942 326 H HA 0.250 4.822 4.556 0.027 0.000 0.316 326 H C 0.731 175.952 175.328 -0.178 0.000 1.323 326 H CA -0.898 54.830 56.048 -0.533 0.000 1.144 326 H CB 0.737 30.270 29.762 -0.382 0.000 1.866 326 H HN 0.585 nan 8.280 nan 0.000 0.545 327 H N 0.010 118.948 119.070 -0.220 0.000 2.357 327 H HA -0.155 4.418 4.556 0.028 0.000 0.296 327 H C -0.211 175.031 175.328 -0.143 0.000 1.108 327 H CA 2.479 58.462 56.048 -0.110 0.000 1.273 327 H CB 0.091 29.649 29.762 -0.339 0.000 1.367 327 H HN 0.802 nan 8.280 nan 0.000 0.498 328 D N -0.733 119.583 120.400 -0.141 0.000 2.462 328 D HA 0.319 4.976 4.640 0.028 0.000 0.221 328 D C 0.267 176.317 176.300 -0.418 0.000 1.173 328 D CA 0.417 54.297 54.000 -0.201 0.000 0.831 328 D CB 1.325 42.196 40.800 0.118 0.000 1.001 328 D HN 0.488 nan 8.370 nan 0.000 0.499 329 G N 0.253 108.511 108.800 -0.904 0.000 2.320 329 G HA2 0.401 4.378 3.960 0.028 0.000 0.296 329 G HA3 0.401 4.378 3.960 0.028 0.000 0.296 329 G C -1.907 172.739 174.900 -0.423 0.000 1.306 329 G CA -0.823 43.949 45.100 -0.547 0.000 0.836 329 G HN 0.022 nan 8.290 nan 0.000 0.517 330 E N -1.094 119.050 120.200 -0.093 0.000 2.388 330 E HA 0.615 4.982 4.350 0.028 0.000 0.289 330 E C -1.643 174.973 176.600 0.026 0.000 0.944 330 E CA -0.921 55.429 56.400 -0.083 0.000 0.792 330 E CB 1.787 31.465 29.700 -0.037 0.000 1.239 330 E HN 1.102 nan 8.360 nan 0.000 0.412 331 F N -0.465 119.273 119.950 -0.353 0.000 2.713 331 F HA 0.660 5.203 4.527 0.028 0.000 0.311 331 F C -1.192 174.334 175.800 -0.458 0.000 1.141 331 F CA -0.811 57.005 58.000 -0.307 0.000 0.939 331 F CB 1.486 40.356 39.000 -0.217 0.000 1.325 331 F HN 0.141 nan 8.300 nan 0.000 0.453 332 T N 2.215 116.751 114.554 -0.030 0.000 2.925 332 T HA 0.629 4.996 4.350 0.028 0.000 0.285 332 T C -0.352 174.433 174.700 0.142 0.000 1.021 332 T CA -0.513 61.585 62.100 -0.004 0.000 1.042 332 T CB 1.561 70.521 68.868 0.152 0.000 1.037 332 T HN 0.557 nan 8.240 nan 0.000 0.481 333 I N 2.853 123.495 120.570 0.120 0.000 2.297 333 I HA 0.462 4.649 4.170 0.028 0.000 0.291 333 I C 1.050 177.244 176.117 0.129 0.000 1.033 333 I CA -0.232 61.175 61.300 0.178 0.000 1.253 333 I CB 0.222 38.343 38.000 0.203 0.000 1.396 333 I HN 0.990 nan 8.210 nan 0.000 0.476 334 A N 6.197 129.086 122.820 0.114 0.000 5.382 334 A HA -0.329 4.008 4.320 0.028 0.000 0.307 334 A C 1.147 178.775 177.584 0.073 0.000 1.937 334 A CA 1.565 53.650 52.037 0.081 0.000 0.715 334 A CB -1.300 17.742 19.000 0.071 0.000 1.293 334 A HN 0.899 nan 8.150 nan 0.000 0.374 335 D N 0.484 120.921 120.400 0.061 0.000 2.328 335 D HA 0.405 5.062 4.640 0.028 0.000 0.221 335 D C 1.309 177.643 176.300 0.056 0.000 1.072 335 D CA 1.344 55.375 54.000 0.053 0.000 0.850 335 D CB -0.453 40.370 40.800 0.039 0.000 0.922 335 D HN 2.324 nan 8.370 nan 0.000 0.516 336 G N -0.239 108.604 108.800 0.071 0.000 2.162 336 G HA2 -0.271 3.706 3.960 0.028 0.000 0.260 336 G HA3 -0.271 3.706 3.960 0.028 0.000 0.260 336 G C 0.132 175.065 174.900 0.054 0.000 0.976 336 G CA 0.125 45.269 45.100 0.075 0.000 0.655 336 G HN 0.393 nan 8.290 nan 0.000 0.533 337 Q N -0.209 119.617 119.800 0.043 0.000 2.240 337 Q HA 0.537 4.894 4.340 0.028 0.000 0.260 337 Q C -2.477 173.535 176.000 0.021 0.000 1.018 337 Q CA -1.958 53.860 55.803 0.025 0.000 0.898 337 Q CB 0.717 29.465 28.738 0.016 0.000 1.301 337 Q HN 0.141 nan 8.270 nan 0.000 0.469 338 P HA 0.072 nan 4.420 nan 0.000 0.264 338 P C -0.191 177.101 177.300 -0.012 0.000 1.193 338 P CA 0.256 63.343 63.100 -0.022 0.000 0.763 338 P CB 0.350 32.007 31.700 -0.071 0.000 0.810 339 G N 2.238 111.039 108.800 0.001 0.000 2.572 339 G HA2 0.030 4.007 3.960 0.028 0.000 0.261 339 G HA3 0.030 4.007 3.960 0.028 0.000 0.261 339 G C 0.667 175.553 174.900 -0.023 0.000 1.197 339 G CA -0.383 44.720 45.100 0.005 0.000 0.870 339 G HN 0.473 nan 8.290 nan 0.000 0.548 340 E N -0.210 119.983 120.200 -0.011 0.000 2.023 340 E HA -0.172 4.195 4.350 0.028 0.000 0.196 340 E C 2.472 179.051 176.600 -0.035 0.000 1.003 340 E CA 0.964 57.356 56.400 -0.013 0.000 0.809 340 E CB -0.085 29.620 29.700 0.009 0.000 0.755 340 E HN 0.394 nan 8.360 nan 0.000 0.449 341 I N 1.289 121.825 120.570 -0.057 0.000 2.226 341 I HA -0.221 3.966 4.170 0.028 0.000 0.245 341 I C 2.374 178.387 176.117 -0.173 0.000 1.100 341 I CA 1.414 62.641 61.300 -0.122 0.000 1.374 341 I CB -1.694 36.172 38.000 -0.222 0.000 1.057 341 I HN 0.131 nan 8.210 nan 0.000 0.413 342 T N 1.366 115.805 114.554 -0.191 0.000 2.635 342 T HA -0.194 4.173 4.350 0.028 0.000 0.267 342 T C 1.931 176.414 174.700 -0.362 0.000 1.040 342 T CA 1.545 63.392 62.100 -0.422 0.000 1.156 342 T CB -0.127 68.602 68.868 -0.232 0.000 0.863 342 T HN 0.127 nan 8.240 nan 0.000 0.430 343 M N 0.888 120.368 119.600 -0.199 0.000 2.200 343 M HA 0.189 4.686 4.480 0.028 0.000 0.265 343 M C 2.754 178.996 176.300 -0.098 0.000 1.066 343 M CA 0.873 56.084 55.300 -0.149 0.000 1.127 343 M CB -1.680 30.861 32.600 -0.099 0.000 1.379 343 M HN 0.299 nan 8.290 nan 0.000 0.420 344 A N 0.464 123.245 122.820 -0.064 0.000 1.877 344 A HA -0.118 4.219 4.320 0.028 0.000 0.216 344 A C 2.346 179.930 177.584 -0.001 0.000 1.186 344 A CA 1.364 53.402 52.037 0.001 0.000 0.620 344 A CB -0.939 18.098 19.000 0.061 0.000 0.822 344 A HN 0.458 nan 8.150 nan 0.000 0.443 345 L N -1.321 119.862 121.223 -0.067 0.000 2.093 345 L HA -0.138 4.219 4.340 0.028 0.000 0.208 345 L C 2.810 179.617 176.870 -0.105 0.000 1.085 345 L CA 1.578 56.372 54.840 -0.077 0.000 0.755 345 L CB -0.403 41.539 42.059 -0.194 0.000 0.904 345 L HN 0.463 nan 8.230 nan 0.000 0.435 346 R N 0.161 120.556 120.500 -0.176 0.000 2.075 346 R HA -0.162 4.195 4.340 0.028 0.000 0.232 346 R C 1.835 178.116 176.300 -0.031 0.000 1.126 346 R CA 1.681 57.701 56.100 -0.135 0.000 0.963 346 R CB -0.047 30.148 30.300 -0.176 0.000 0.858 346 R HN 0.267 nan 8.270 nan 0.000 0.435 347 D N -0.392 120.011 120.400 0.004 0.000 2.104 347 D HA -0.128 4.529 4.640 0.028 0.000 0.194 347 D C 1.749 178.181 176.300 0.220 0.000 0.994 347 D CA 1.822 55.874 54.000 0.087 0.000 0.830 347 D CB -0.445 40.420 40.800 0.108 0.000 0.959 347 D HN 0.233 nan 8.370 nan 0.000 0.452 348 T N 1.077 115.764 114.554 0.222 0.000 2.708 348 T HA -0.145 4.222 4.350 0.028 0.000 0.266 348 T C 1.861 176.741 174.700 0.300 0.000 1.037 348 T CA 0.678 62.966 62.100 0.314 0.000 1.146 348 T CB -0.365 68.578 68.868 0.124 0.000 0.865 348 T HN 0.028 nan 8.240 nan 0.000 0.435 349 L N 1.779 123.093 121.223 0.152 0.000 2.027 349 L HA -0.073 4.284 4.340 0.028 0.000 0.206 349 L C 2.729 179.609 176.870 0.018 0.000 1.074 349 L CA 2.354 57.252 54.840 0.096 0.000 0.745 349 L CB -1.449 40.601 42.059 -0.015 0.000 0.898 349 L HN 0.446 nan 8.230 nan 0.000 0.433 350 T N -3.713 110.838 114.554 -0.006 0.000 2.881 350 T HA -0.058 4.309 4.350 0.028 0.000 0.270 350 T C 1.944 176.599 174.700 -0.075 0.000 1.068 350 T CA 0.841 62.916 62.100 -0.041 0.000 1.131 350 T CB -1.312 67.550 68.868 -0.009 0.000 0.871 350 T HN 0.397 nan 8.240 nan 0.000 0.479 351 G N 1.744 110.505 108.800 -0.065 0.000 2.408 351 G HA2 -0.036 3.941 3.960 0.028 0.000 0.217 351 G HA3 -0.036 3.941 3.960 0.028 0.000 0.217 351 G C 1.469 176.260 174.900 -0.181 0.000 1.150 351 G CA 0.618 45.498 45.100 -0.366 0.000 0.776 351 G HN 0.444 nan 8.290 nan 0.000 0.542 352 I N 1.000 121.640 120.570 0.116 0.000 2.202 352 I HA -0.152 4.035 4.170 0.028 0.000 0.242 352 I C 2.836 179.062 176.117 0.182 0.000 1.091 352 I CA 1.070 62.494 61.300 0.207 0.000 1.368 352 I CB -1.372 36.856 38.000 0.380 0.000 1.058 352 I HN 0.333 nan 8.210 nan 0.000 0.410 353 Q N 0.355 120.191 119.800 0.060 0.000 2.181 353 Q HA -0.173 4.184 4.340 0.028 0.000 0.205 353 Q C 2.140 178.099 176.000 -0.069 0.000 0.980 353 Q CA 1.327 57.048 55.803 -0.136 0.000 0.862 353 Q CB -0.201 28.251 28.738 -0.478 0.000 0.905 353 Q HN 0.490 nan 8.270 nan 0.000 0.429 354 R N -0.864 119.605 120.500 -0.053 0.000 2.297 354 R HA 0.073 4.430 4.340 0.028 0.000 0.197 354 R C 1.084 177.129 176.300 -0.425 0.000 0.943 354 R CA 0.558 56.643 56.100 -0.026 0.000 1.038 354 R CB 0.446 30.681 30.300 -0.109 0.000 0.957 354 R HN 0.385 nan 8.270 nan 0.000 0.484 355 G N 0.521 108.982 108.800 -0.565 0.000 2.157 355 G HA2 -0.334 3.643 3.960 0.028 0.000 0.248 355 G HA3 -0.334 3.643 3.960 0.028 0.000 0.248 355 G C 0.973 175.454 174.900 -0.697 0.000 0.979 355 G CA 0.747 45.101 45.100 -1.244 0.000 0.650 355 G HN 0.453 nan 8.290 nan 0.000 0.529 356 T N -2.307 111.935 114.554 -0.520 0.000 2.942 356 T HA 0.409 4.776 4.350 0.028 0.000 0.265 356 T C 1.053 175.559 174.700 -0.323 0.000 1.062 356 T CA 0.769 62.572 62.100 -0.494 0.000 1.139 356 T CB -0.033 68.414 68.868 -0.702 0.000 0.883 356 T HN 0.420 nan 8.240 nan 0.000 0.468 357 F N 1.208 121.082 119.950 -0.127 0.000 2.507 357 F HA 0.684 5.228 4.527 0.028 0.000 0.327 357 F C 0.722 176.476 175.800 -0.077 0.000 1.068 357 F CA -1.876 56.076 58.000 -0.081 0.000 0.965 357 F CB 1.363 40.341 39.000 -0.037 0.000 1.192 357 F HN 0.077 nan 8.300 nan 0.000 0.476 358 A N 1.358 124.264 122.820 0.144 0.000 2.524 358 A HA 0.027 4.364 4.320 0.028 0.000 0.250 358 A C -0.266 177.330 177.584 0.021 0.000 1.078 358 A CA -0.116 51.941 52.037 0.033 0.000 0.761 358 A CB -0.180 18.804 19.000 -0.027 0.000 1.012 358 A HN 0.690 nan 8.150 nan 0.000 0.500 359 D N 2.646 123.061 120.400 0.025 0.000 2.639 359 D HA 0.151 4.808 4.640 0.028 0.000 0.233 359 D C 1.590 177.800 176.300 -0.150 0.000 1.161 359 D CA 0.503 54.510 54.000 0.012 0.000 1.003 359 D CB -0.129 40.768 40.800 0.163 0.000 1.034 359 D HN 0.541 nan 8.370 nan 0.000 0.514 360 T N -1.169 113.198 114.554 -0.312 0.000 2.977 360 T HA -0.178 4.189 4.350 0.028 0.000 0.271 360 T C 1.211 175.573 174.700 -0.563 0.000 1.105 360 T CA 0.976 62.818 62.100 -0.430 0.000 1.116 360 T CB -0.244 68.317 68.868 -0.511 0.000 0.878 360 T HN 0.378 nan 8.240 nan 0.000 0.509 361 H N 0.729 119.512 119.070 -0.479 0.000 2.622 361 H HA 0.370 4.943 4.556 0.029 0.000 0.269 361 H C 1.905 176.984 175.328 -0.415 0.000 0.977 361 H CA 0.130 55.801 56.048 -0.627 0.000 1.179 361 H CB 0.096 28.988 29.762 -1.449 0.000 1.458 361 H HN 0.570 nan 8.280 nan 0.000 0.531 362 G N 1.210 109.917 108.800 -0.155 0.000 2.246 362 G HA2 -0.236 3.741 3.960 0.028 0.000 0.273 362 G HA3 -0.236 3.741 3.960 0.028 0.000 0.273 362 G C 0.577 175.559 174.900 0.136 0.000 1.055 362 G CA 0.393 45.499 45.100 0.010 0.000 0.851 362 G HN 0.372 nan 8.290 nan 0.000 0.500 363 W N -0.744 120.604 121.300 0.080 0.000 2.476 363 W HA 0.334 5.012 4.660 0.029 0.000 0.281 363 W C 1.454 177.939 176.519 -0.056 0.000 1.230 363 W CA 0.274 57.585 57.345 -0.056 0.000 1.287 363 W CB -0.335 29.069 29.460 -0.093 0.000 1.108 363 W HN 0.244 nan 8.180 nan 0.000 0.567 364 M N 0.650 120.435 119.600 0.309 0.000 2.162 364 M HA 0.380 4.877 4.480 0.028 0.000 0.356 364 M C 0.137 176.479 176.300 0.069 0.000 1.303 364 M CA -0.648 54.772 55.300 0.200 0.000 1.116 364 M CB 0.077 32.836 32.600 0.266 0.000 1.632 364 M HN -0.167 nan 8.290 nan 0.000 0.469 365 A N 4.742 127.569 122.820 0.012 0.000 2.342 365 A HA 0.780 5.117 4.320 0.028 0.000 0.323 365 A C -0.132 177.405 177.584 -0.077 0.000 1.125 365 A CA -0.905 51.124 52.037 -0.013 0.000 0.785 365 A CB 1.224 20.233 19.000 0.016 0.000 1.221 365 A HN 0.691 nan 8.150 nan 0.000 0.463 366 R N 1.978 122.430 120.500 -0.079 0.000 2.438 366 R HA 0.333 4.690 4.340 0.028 0.000 0.287 366 R C 0.157 176.418 176.300 -0.065 0.000 1.077 366 R CA -0.181 55.858 56.100 -0.101 0.000 1.034 366 R CB 0.615 30.874 30.300 -0.068 0.000 0.993 366 R HN 0.806 nan 8.270 nan 0.000 0.459 367 L N 1.338 122.518 121.223 -0.071 0.000 2.609 367 L HA 0.114 4.471 4.340 0.028 0.000 0.230 367 L C 0.631 177.470 176.870 -0.052 0.000 1.064 367 L CA -0.162 54.645 54.840 -0.056 0.000 0.873 367 L CB -0.102 41.926 42.059 -0.052 0.000 1.139 367 L HN 0.727 nan 8.230 nan 0.000 0.490 368 N N 0.000 118.672 118.700 -0.047 0.000 1.763 368 N HA 0.000 4.757 4.740 0.028 0.000 0.220 368 N CA 0.000 53.032 53.050 -0.031 0.000 0.885 368 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667