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 1tg5_1_A DATA FIRST_RESID 14 DATA SEQUENCE KNPKSDKFKV KRFHHIEFWC GDATNVARRF SWGLGMRFSA KSDLSTGNMV DATA SEQUENCE HASYLLTSGD LRFLFTAPYS PSLSAGEIKP TTTASIPSFD HGSCRSFFSS DATA SEQUENCE HGLGVRAVAI EVEDAESAFS ISVANGAIPS SPPIVLNEAV TIAEVKLYGD DATA SEQUENCE VVLRYVSYKA XXXXXSEFLP GFERVEDASS FPLDYGIRRL DHAVGNVPEL DATA SEQUENCE GPALTYVAGF TGFHQFAXXX XXXXXXXESG LNSAVLASND EMVLLPINEP DATA SEQUENCE VHGTXXKSQI QTYLEHNEGA GLQHLALMSE DIFRTLREMR KRSSIGGFDF DATA SEQUENCE MPSPPPTYYQ NLKKRVGDVL SDDQIKECEE LGILVDRDDQ GTLLQIFTKP DATA SEQUENCE LGDRPTIFIE IIQRVGcXXX XXXXXXYQSG GcGGFGKGNF SELFKSI 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 14 K HA 0.000 nan 4.320 nan 0.000 0.191 14 K C 0.000 176.527 176.600 -0.122 0.000 0.988 14 K CA 0.000 56.229 56.287 -0.097 0.000 0.838 14 K CB 0.000 32.452 32.500 -0.080 0.000 1.064 15 N N 2.234 120.818 118.700 -0.193 0.000 2.569 15 N HA 0.374 5.114 4.740 -0.001 0.000 0.254 15 N C -2.270 172.991 175.510 -0.416 0.000 1.004 15 N CA -1.933 50.869 53.050 -0.415 0.000 0.904 15 N CB 1.714 39.935 38.487 -0.442 0.000 1.165 15 N HN 0.242 nan 8.380 nan 0.000 0.513 16 P HA -0.078 nan 4.420 nan 0.000 0.220 16 P C -0.642 176.533 177.300 -0.209 0.000 1.148 16 P CA 0.905 63.881 63.100 -0.207 0.000 0.803 16 P CB 0.112 31.750 31.700 -0.103 0.000 0.782 17 K N -0.982 119.229 120.400 -0.315 0.000 3.125 17 K HA -0.101 4.218 4.320 -0.001 0.000 0.268 17 K C 0.121 176.674 176.600 -0.077 0.000 1.078 17 K CA 0.601 56.781 56.287 -0.179 0.000 0.775 17 K CB -2.366 30.047 32.500 -0.146 0.000 1.253 17 K HN 0.357 nan 8.250 nan 0.000 0.486 18 S N -0.875 114.808 115.700 -0.029 0.000 2.685 18 S HA 0.063 4.533 4.470 -0.001 0.000 0.240 18 S C 0.176 174.768 174.600 -0.013 0.000 0.967 18 S CA -0.618 57.575 58.200 -0.012 0.000 1.009 18 S CB 0.205 63.407 63.200 0.004 0.000 0.776 18 S HN 0.161 nan 8.310 nan 0.000 0.467 19 D N 2.790 123.179 120.400 -0.019 0.000 2.488 19 D HA 0.110 4.749 4.640 -0.001 0.000 0.238 19 D C 0.897 177.092 176.300 -0.175 0.000 1.138 19 D CA 0.287 54.229 54.000 -0.097 0.000 0.873 19 D CB 0.750 41.488 40.800 -0.103 0.000 1.183 19 D HN 0.298 nan 8.370 nan 0.000 0.458 20 K N 1.487 121.703 120.400 -0.307 0.000 2.418 20 K HA 0.072 4.392 4.320 -0.001 0.000 0.195 20 K C 0.067 176.662 176.600 -0.008 0.000 1.035 20 K CA 0.460 56.672 56.287 -0.124 0.000 1.003 20 K CB 0.090 32.592 32.500 0.003 0.000 0.793 20 K HN 0.449 nan 8.250 nan 0.000 0.494 21 F N -1.286 118.638 119.950 -0.043 0.000 2.654 21 F HA 0.414 4.941 4.527 -0.001 0.000 0.308 21 F C -0.997 174.783 175.800 -0.033 0.000 1.108 21 F CA -1.670 56.292 58.000 -0.064 0.000 0.957 21 F CB 0.783 39.700 39.000 -0.137 0.000 1.309 21 F HN -0.456 nan 8.300 nan 0.000 0.446 22 K N 2.165 122.647 120.400 0.137 0.000 2.412 22 K HA 0.455 4.774 4.320 -0.001 0.000 0.284 22 K C -0.981 175.688 176.600 0.115 0.000 1.046 22 K CA -0.281 56.048 56.287 0.069 0.000 0.999 22 K CB 1.207 33.741 32.500 0.057 0.000 0.941 22 K HN 0.517 nan 8.250 nan 0.000 0.474 23 V N 4.481 124.430 119.914 0.058 0.000 2.459 23 V HA 0.167 4.287 4.120 -0.001 0.000 0.295 23 V C 0.557 176.671 176.094 0.034 0.000 1.029 23 V CA -0.611 61.742 62.300 0.089 0.000 0.874 23 V CB 1.653 33.538 31.823 0.103 0.000 0.985 23 V HN 0.751 nan 8.190 nan 0.000 0.438 24 K N 2.918 123.349 120.400 0.053 0.000 2.312 24 K HA 0.465 4.784 4.320 -0.001 0.000 0.230 24 K C 0.223 176.824 176.600 0.001 0.000 1.048 24 K CA -0.191 56.113 56.287 0.029 0.000 0.938 24 K CB 0.280 32.818 32.500 0.063 0.000 1.139 24 K HN 0.360 nan 8.250 nan 0.000 0.461 25 R N 0.018 120.542 120.500 0.040 0.000 2.817 25 R HA 0.330 4.669 4.340 -0.001 0.000 0.268 25 R C -0.819 175.526 176.300 0.074 0.000 1.027 25 R CA -0.850 55.263 56.100 0.021 0.000 0.928 25 R CB 0.363 30.712 30.300 0.082 0.000 1.228 25 R HN 0.069 nan 8.270 nan 0.000 0.469 26 F N 1.292 121.304 119.950 0.104 0.000 2.629 26 F HA -0.080 4.447 4.527 -0.001 0.000 0.369 26 F C 2.121 178.021 175.800 0.167 0.000 1.125 26 F CA 0.939 59.009 58.000 0.117 0.000 1.330 26 F CB 0.545 39.593 39.000 0.079 0.000 1.071 26 F HN 0.501 nan 8.300 nan 0.000 0.595 27 H N 2.373 121.634 119.070 0.319 0.000 2.735 27 H HA 0.105 4.660 4.556 -0.001 0.000 0.250 27 H C -0.365 175.177 175.328 0.356 0.000 0.948 27 H CA 0.776 56.992 56.048 0.280 0.000 1.137 27 H CB 0.785 30.702 29.762 0.260 0.000 1.440 27 H HN 0.746 nan 8.280 nan 0.000 0.444 28 H N -1.156 118.094 119.070 0.300 0.000 2.984 28 H HA 0.210 4.765 4.556 -0.001 0.000 0.298 28 H C -1.844 173.559 175.328 0.124 0.000 1.378 28 H CA -0.797 55.376 56.048 0.208 0.000 1.241 28 H CB 0.490 30.439 29.762 0.311 0.000 1.894 28 H HN -0.046 nan 8.280 nan 0.000 0.511 29 I N 2.052 122.734 120.570 0.187 0.000 2.382 29 I HA 0.226 4.396 4.170 -0.001 0.000 0.286 29 I C 0.222 176.243 176.117 -0.161 0.000 1.002 29 I CA -0.179 61.054 61.300 -0.112 0.000 1.135 29 I CB 1.363 39.218 38.000 -0.242 0.000 1.288 29 I HN 0.655 nan 8.210 nan 0.000 0.448 30 E N 6.452 126.515 120.200 -0.228 0.000 2.133 30 E HA 0.412 4.762 4.350 -0.001 0.000 0.274 30 E C -1.434 174.885 176.600 -0.468 0.000 0.930 30 E CA -0.539 55.731 56.400 -0.217 0.000 0.770 30 E CB 0.993 30.663 29.700 -0.050 0.000 1.104 30 E HN 0.236 nan 8.360 nan 0.000 0.403 31 F N 3.250 122.971 119.950 -0.383 0.000 2.394 31 F HA 0.277 4.804 4.527 -0.001 0.000 0.340 31 F C -0.010 175.829 175.800 0.066 0.000 1.105 31 F CA -0.551 57.322 58.000 -0.212 0.000 1.124 31 F CB 0.637 39.487 39.000 -0.250 0.000 1.145 31 F HN 0.414 nan 8.300 nan 0.000 0.505 32 W N 3.778 125.126 121.300 0.081 0.000 2.335 32 W HA 0.504 5.164 4.660 -0.000 0.000 0.307 32 W C -0.613 176.079 176.519 0.289 0.000 1.117 32 W CA -1.286 56.107 57.345 0.081 0.000 1.228 32 W CB 1.035 30.386 29.460 -0.181 0.000 1.240 32 W HN 0.401 nan 8.180 nan 0.000 0.468 33 C N 0.846 120.321 119.300 0.292 0.000 2.822 33 C HA 0.719 5.179 4.460 -0.001 0.000 0.341 33 C C 1.698 176.288 174.990 -0.666 0.000 1.301 33 C CA -0.252 58.772 59.018 0.010 0.000 1.706 33 C CB 1.280 29.086 27.740 0.109 0.000 2.178 33 C HN 0.812 nan 8.230 nan 0.000 0.481 34 G N -0.490 107.659 108.800 -1.085 0.000 2.425 34 G HA2 0.015 3.974 3.960 -0.001 0.000 0.213 34 G HA3 0.015 3.974 3.960 -0.001 0.000 0.213 34 G C 0.137 174.839 174.900 -0.329 0.000 1.201 34 G CA 0.930 45.475 45.100 -0.923 0.000 0.799 34 G HN 0.805 nan 8.290 nan 0.000 0.534 35 D N 0.057 120.353 120.400 -0.173 0.000 2.462 35 D HA 0.501 5.140 4.640 -0.001 0.000 0.245 35 D C 1.266 177.555 176.300 -0.019 0.000 1.122 35 D CA -0.109 53.852 54.000 -0.066 0.000 0.864 35 D CB 1.738 42.521 40.800 -0.028 0.000 1.098 35 D HN 0.071 nan 8.370 nan 0.000 0.541 36 A N 3.179 126.019 122.820 0.033 0.000 1.908 36 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 36 A C 2.007 179.647 177.584 0.094 0.000 1.181 36 A CA 1.726 53.849 52.037 0.142 0.000 0.627 36 A CB -0.472 18.673 19.000 0.241 0.000 0.818 36 A HN 0.633 nan 8.150 nan 0.000 0.445 37 T N 0.654 115.242 114.554 0.056 0.000 2.635 37 T HA -0.182 4.168 4.350 -0.001 0.000 0.267 37 T C 1.850 176.423 174.700 -0.210 0.000 1.040 37 T CA 1.649 63.643 62.100 -0.176 0.000 1.156 37 T CB -0.468 68.314 68.868 -0.143 0.000 0.863 37 T HN 0.582 nan 8.240 nan 0.000 0.430 38 N N 0.519 119.142 118.700 -0.128 0.000 2.216 38 N HA -0.045 4.695 4.740 -0.001 0.000 0.183 38 N C 1.991 177.421 175.510 -0.133 0.000 1.017 38 N CA 0.886 53.864 53.050 -0.119 0.000 0.861 38 N CB -0.132 38.319 38.487 -0.061 0.000 0.986 38 N HN 0.216 nan 8.380 nan 0.000 0.428 39 V N 1.815 121.635 119.914 -0.158 0.000 2.307 39 V HA -0.168 3.952 4.120 -0.001 0.000 0.245 39 V C 2.544 178.315 176.094 -0.539 0.000 1.045 39 V CA 1.770 63.932 62.300 -0.231 0.000 1.024 39 V CB -0.877 30.798 31.823 -0.246 0.000 0.651 39 V HN 0.240 nan 8.190 nan 0.000 0.449 40 A N 0.282 122.637 122.820 -0.774 0.000 1.865 40 A HA -0.232 4.088 4.320 -0.001 0.000 0.217 40 A C 2.381 179.748 177.584 -0.361 0.000 1.191 40 A CA 1.883 53.393 52.037 -0.880 0.000 0.623 40 A CB -0.560 18.141 19.000 -0.497 0.000 0.826 40 A HN 0.481 nan 8.150 nan 0.000 0.444 41 R N -1.240 119.079 120.500 -0.302 0.000 2.127 41 R HA -0.123 4.217 4.340 -0.001 0.000 0.238 41 R C 2.419 178.680 176.300 -0.064 0.000 1.134 41 R CA 1.221 57.208 56.100 -0.188 0.000 0.975 41 R CB -0.337 29.827 30.300 -0.225 0.000 0.865 41 R HN 0.385 nan 8.270 nan 0.000 0.447 42 R N 0.625 121.097 120.500 -0.047 0.000 2.062 42 R HA -0.073 4.266 4.340 -0.001 0.000 0.229 42 R C 1.997 178.319 176.300 0.037 0.000 1.128 42 R CA 1.414 57.505 56.100 -0.014 0.000 0.960 42 R CB -0.466 29.799 30.300 -0.058 0.000 0.855 42 R HN 0.108 nan 8.270 nan 0.000 0.432 43 F N 0.818 120.719 119.950 -0.082 0.000 2.102 43 F HA -0.188 4.339 4.527 -0.001 0.000 0.298 43 F C 2.906 178.825 175.800 0.199 0.000 1.105 43 F CA 1.814 59.929 58.000 0.191 0.000 1.239 43 F CB -0.937 38.098 39.000 0.059 0.000 0.991 43 F HN 0.080 nan 8.300 nan 0.000 0.474 44 S N -0.026 115.826 115.700 0.252 0.000 2.359 44 S HA -0.303 4.166 4.470 -0.001 0.000 0.222 44 S C 2.083 176.797 174.600 0.190 0.000 1.038 44 S CA 1.870 60.180 58.200 0.183 0.000 1.051 44 S CB -0.897 62.372 63.200 0.115 0.000 0.944 44 S HN 0.638 nan 8.310 nan 0.000 0.433 45 W N 1.552 122.859 121.300 0.012 0.000 2.381 45 W HA -0.012 4.648 4.660 -0.001 0.000 0.301 45 W C 2.087 178.697 176.519 0.152 0.000 1.205 45 W CA 0.948 58.318 57.345 0.042 0.000 1.285 45 W CB -0.755 28.692 29.460 -0.022 0.000 1.133 45 W HN 0.495 nan 8.180 nan 0.000 0.521 46 G N 0.969 109.789 108.800 0.033 0.000 2.403 46 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.216 46 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.216 46 G C 1.480 176.555 174.900 0.292 0.000 1.154 46 G CA 0.803 45.927 45.100 0.039 0.000 0.784 46 G HN 0.271 nan 8.290 nan 0.000 0.538 47 L N -0.340 121.003 121.223 0.201 0.000 2.590 47 L HA 0.325 4.665 4.340 -0.001 0.000 0.227 47 L C 1.730 178.388 176.870 -0.353 0.000 1.099 47 L CA 0.433 55.290 54.840 0.027 0.000 0.872 47 L CB 0.425 42.492 42.059 0.013 0.000 1.088 47 L HN 0.336 nan 8.230 nan 0.000 0.479 48 G N 0.958 109.277 108.800 -0.802 0.000 2.204 48 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.244 48 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.244 48 G C -0.005 174.582 174.900 -0.523 0.000 1.062 48 G CA -0.093 44.076 45.100 -1.552 0.000 0.798 48 G HN 0.189 nan 8.290 nan 0.000 0.496 49 M N -0.514 118.960 119.600 -0.210 0.000 2.363 49 M HA 0.469 4.948 4.480 -0.001 0.000 0.343 49 M C 0.606 176.948 176.300 0.070 0.000 1.165 49 M CA -0.784 54.492 55.300 -0.040 0.000 1.046 49 M CB 1.835 34.461 32.600 0.043 0.000 1.648 49 M HN 0.245 nan 8.290 nan 0.000 0.452 50 R N 1.936 122.494 120.500 0.097 0.000 2.349 50 R HA 0.328 4.667 4.340 -0.001 0.000 0.299 50 R C -1.215 175.233 176.300 0.247 0.000 1.027 50 R CA -0.359 55.840 56.100 0.165 0.000 0.958 50 R CB 0.833 31.203 30.300 0.116 0.000 1.047 50 R HN 0.741 nan 8.270 nan 0.000 0.468 51 F N 5.113 125.125 119.950 0.102 0.000 2.490 51 F HA 0.020 4.546 4.527 -0.001 0.000 0.357 51 F C 0.795 176.653 175.800 0.097 0.000 1.166 51 F CA 0.002 58.064 58.000 0.103 0.000 1.116 51 F CB 0.739 39.790 39.000 0.084 0.000 1.171 51 F HN 0.734 nan 8.300 nan 0.000 0.576 52 S N 4.217 119.932 115.700 0.024 0.000 2.527 52 S HA 0.551 5.021 4.470 -0.001 0.000 0.227 52 S C 0.375 174.874 174.600 -0.168 0.000 1.059 52 S CA 0.269 58.410 58.200 -0.098 0.000 0.919 52 S CB 0.405 63.598 63.200 -0.013 0.000 0.805 52 S HN 0.655 nan 8.310 nan 0.000 0.500 53 A N 1.172 123.933 122.820 -0.098 0.000 2.566 53 A HA 0.808 5.128 4.320 -0.001 0.000 0.292 53 A C -1.362 176.367 177.584 0.243 0.000 1.112 53 A CA -1.002 51.059 52.037 0.041 0.000 0.707 53 A CB 1.516 20.602 19.000 0.144 0.000 1.302 53 A HN 0.539 nan 8.150 nan 0.000 0.409 54 K N -0.788 119.798 120.400 0.309 0.000 2.551 54 K HA 0.759 5.079 4.320 -0.001 0.000 0.269 54 K C -1.303 175.228 176.600 -0.115 0.000 0.949 54 K CA -0.495 55.965 56.287 0.288 0.000 0.849 54 K CB 2.010 34.778 32.500 0.447 0.000 1.411 54 K HN 0.738 nan 8.250 nan 0.000 0.432 55 S N 1.381 116.780 115.700 -0.502 0.000 2.776 55 S HA 0.501 4.971 4.470 -0.001 0.000 0.284 55 S C -1.758 172.520 174.600 -0.538 0.000 1.160 55 S CA -0.345 57.410 58.200 -0.743 0.000 1.051 55 S CB 0.512 62.820 63.200 -1.486 0.000 1.037 55 S HN 0.852 nan 8.310 nan 0.000 0.485 56 D N 3.128 123.350 120.400 -0.297 0.000 2.970 56 D HA 0.179 4.819 4.640 -0.001 0.000 0.344 56 D C 0.973 177.271 176.300 -0.003 0.000 1.365 56 D CA -0.773 53.157 54.000 -0.117 0.000 0.910 56 D CB -0.343 40.452 40.800 -0.008 0.000 1.445 56 D HN 0.388 nan 8.370 nan 0.000 0.532 57 L N 0.267 121.542 121.223 0.088 0.000 2.043 57 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 57 L C 2.439 179.288 176.870 -0.035 0.000 1.075 57 L CA 2.373 57.180 54.840 -0.056 0.000 0.752 57 L CB -0.699 41.252 42.059 -0.179 0.000 0.891 57 L HN 0.598 nan 8.230 nan 0.000 0.432 58 S N -1.639 114.068 115.700 0.012 0.000 2.442 58 S HA -0.149 4.320 4.470 -0.001 0.000 0.236 58 S C 1.717 176.315 174.600 -0.003 0.000 1.007 58 S CA 1.292 59.501 58.200 0.015 0.000 0.965 58 S CB -0.742 62.492 63.200 0.056 0.000 0.773 58 S HN 0.598 nan 8.310 nan 0.000 0.504 59 T N -3.328 111.210 114.554 -0.027 0.000 3.105 59 T HA 0.555 4.904 4.350 -0.001 0.000 0.253 59 T C 1.355 176.015 174.700 -0.066 0.000 1.047 59 T CA 0.434 62.504 62.100 -0.049 0.000 0.944 59 T CB -0.021 68.797 68.868 -0.083 0.000 1.016 59 T HN 1.171 nan 8.240 nan 0.000 0.544 60 G N 1.616 110.378 108.800 -0.063 0.000 2.141 60 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.231 60 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.231 60 G C -0.104 174.748 174.900 -0.081 0.000 0.984 60 G CA -0.167 44.896 45.100 -0.062 0.000 0.660 60 G HN 0.715 nan 8.290 nan 0.000 0.525 61 N N 0.718 119.349 118.700 -0.114 0.000 2.406 61 N HA 0.430 5.169 4.740 -0.001 0.000 0.251 61 N C 1.510 176.989 175.510 -0.051 0.000 1.069 61 N CA -0.545 52.413 53.050 -0.153 0.000 0.947 61 N CB 0.385 38.669 38.487 -0.338 0.000 1.111 61 N HN 0.095 nan 8.380 nan 0.000 0.497 62 M N 2.964 122.552 119.600 -0.020 0.000 2.428 62 M HA 0.080 4.559 4.480 -0.001 0.000 0.239 62 M C 1.045 177.459 176.300 0.191 0.000 1.121 62 M CA 0.154 55.472 55.300 0.030 0.000 1.019 62 M CB -0.147 32.453 32.600 -0.000 0.000 1.485 62 M HN 0.261 nan 8.290 nan 0.000 0.484 63 V N -0.698 119.308 119.914 0.154 0.000 2.627 63 V HA 0.017 4.137 4.120 -0.001 0.000 0.239 63 V C 0.470 176.569 176.094 0.009 0.000 1.077 63 V CA 0.901 63.319 62.300 0.196 0.000 1.103 63 V CB -0.208 31.695 31.823 0.133 0.000 0.802 63 V HN 0.577 nan 8.190 nan 0.000 0.482 64 H N -1.616 117.227 119.070 -0.378 0.000 2.980 64 H HA 0.827 5.383 4.556 -0.001 0.000 0.367 64 H C -0.776 174.121 175.328 -0.717 0.000 1.206 64 H CA -0.452 55.105 56.048 -0.819 0.000 1.126 64 H CB 1.764 30.719 29.762 -1.345 0.000 1.838 64 H HN 0.153 nan 8.280 nan 0.000 0.552 65 A N 1.804 124.148 122.820 -0.793 0.000 2.271 65 A HA 0.619 4.938 4.320 -0.001 0.000 0.317 65 A C -0.795 176.472 177.584 -0.528 0.000 1.245 65 A CA -0.627 51.020 52.037 -0.650 0.000 0.857 65 A CB 0.521 19.195 19.000 -0.542 0.000 1.175 65 A HN 0.635 nan 8.150 nan 0.000 0.512 66 S N 1.325 116.648 115.700 -0.627 0.000 2.594 66 S HA 0.646 5.116 4.470 -0.001 0.000 0.296 66 S C -1.584 172.827 174.600 -0.316 0.000 1.124 66 S CA -0.221 57.825 58.200 -0.257 0.000 1.011 66 S CB 0.654 63.963 63.200 0.182 0.000 1.016 66 S HN 0.508 nan 8.310 nan 0.000 0.485 67 Y N 1.782 122.283 120.300 0.335 0.000 2.361 67 Y HA 0.587 5.137 4.550 -0.001 0.000 0.337 67 Y C -0.465 175.667 175.900 0.386 0.000 0.965 67 Y CA -1.057 57.281 58.100 0.396 0.000 1.091 67 Y CB 1.200 39.804 38.460 0.240 0.000 1.182 67 Y HN 0.518 nan 8.280 nan 0.000 0.450 68 L N 4.940 126.439 121.223 0.459 0.000 2.272 68 L HA 0.566 4.906 4.340 -0.001 0.000 0.289 68 L C -1.265 175.784 176.870 0.298 0.000 1.032 68 L CA -0.367 54.558 54.840 0.142 0.000 0.810 68 L CB 0.447 42.301 42.059 -0.342 0.000 1.205 68 L HN 0.562 nan 8.230 nan 0.000 0.422 69 L N 4.793 126.214 121.223 0.329 0.000 2.289 69 L HA 0.620 4.959 4.340 -0.001 0.000 0.285 69 L C 0.027 176.987 176.870 0.149 0.000 1.049 69 L CA -0.560 54.468 54.840 0.313 0.000 0.804 69 L CB 1.603 43.934 42.059 0.454 0.000 1.195 69 L HN 0.694 nan 8.230 nan 0.000 0.428 70 T N -0.982 113.625 114.554 0.089 0.000 2.893 70 T HA 0.578 4.928 4.350 -0.001 0.000 0.291 70 T C -0.462 174.232 174.700 -0.010 0.000 1.028 70 T CA -0.831 61.278 62.100 0.015 0.000 0.995 70 T CB 2.060 70.932 68.868 0.007 0.000 1.051 70 T HN 0.440 nan 8.240 nan 0.000 0.470 71 S N 1.190 116.859 115.700 -0.052 0.000 2.680 71 S HA 0.602 5.071 4.470 -0.001 0.000 0.262 71 S C 0.782 175.352 174.600 -0.050 0.000 1.138 71 S CA 0.523 58.687 58.200 -0.059 0.000 1.072 71 S CB 0.135 63.271 63.200 -0.107 0.000 1.097 71 S HN 2.060 nan 8.310 nan 0.000 0.468 72 G N 4.812 113.599 108.800 -0.022 0.000 2.602 72 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.310 72 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.310 72 G C 0.235 175.128 174.900 -0.011 0.000 1.183 72 G CA 0.842 45.936 45.100 -0.011 0.000 0.979 72 G HN 0.662 nan 8.290 nan 0.000 0.545 73 D N 0.477 120.872 120.400 -0.009 0.000 2.369 73 D HA 0.215 4.855 4.640 -0.001 0.000 0.211 73 D C 1.020 177.312 176.300 -0.013 0.000 1.077 73 D CA -0.071 53.927 54.000 -0.002 0.000 0.842 73 D CB 0.434 41.247 40.800 0.021 0.000 0.947 73 D HN 0.267 nan 8.370 nan 0.000 0.509 74 L N 1.884 123.080 121.223 -0.044 0.000 2.367 74 L HA 0.177 4.516 4.340 -0.001 0.000 0.275 74 L C -0.124 176.701 176.870 -0.075 0.000 1.129 74 L CA 0.140 54.932 54.840 -0.080 0.000 0.839 74 L CB 0.365 42.309 42.059 -0.191 0.000 1.133 74 L HN -0.253 nan 8.230 nan 0.000 0.453 75 R N 6.215 126.722 120.500 0.010 0.000 2.439 75 R HA 0.391 4.731 4.340 -0.001 0.000 0.310 75 R C -1.325 175.146 176.300 0.285 0.000 0.955 75 R CA -0.416 55.726 56.100 0.070 0.000 0.853 75 R CB 1.317 31.643 30.300 0.043 0.000 1.171 75 R HN 0.553 nan 8.270 nan 0.000 0.449 76 F N 3.598 123.574 119.950 0.043 0.000 2.411 76 F HA 0.330 4.857 4.527 -0.001 0.000 0.352 76 F C -0.130 175.561 175.800 -0.181 0.000 1.123 76 F CA -1.284 56.715 58.000 -0.002 0.000 1.044 76 F CB 1.685 40.776 39.000 0.152 0.000 1.135 76 F HN 0.192 nan 8.300 nan 0.000 0.461 77 L N 5.302 126.440 121.223 -0.143 0.000 2.307 77 L HA 0.566 4.905 4.340 -0.001 0.000 0.284 77 L C -1.558 175.106 176.870 -0.343 0.000 1.023 77 L CA -0.277 54.467 54.840 -0.160 0.000 0.810 77 L CB 0.972 42.998 42.059 -0.056 0.000 1.231 77 L HN 0.297 nan 8.230 nan 0.000 0.423 78 F N 2.990 123.053 119.950 0.188 0.000 2.449 78 F HA 0.645 5.171 4.527 -0.001 0.000 0.342 78 F C 0.212 176.106 175.800 0.157 0.000 1.127 78 F CA -0.440 57.655 58.000 0.159 0.000 0.975 78 F CB 2.131 41.167 39.000 0.060 0.000 1.146 78 F HN 0.352 nan 8.300 nan 0.000 0.444 79 T N 2.420 117.163 114.554 0.315 0.000 2.893 79 T HA 0.877 5.226 4.350 -0.001 0.000 0.293 79 T C -0.999 173.756 174.700 0.091 0.000 1.027 79 T CA -0.788 61.427 62.100 0.192 0.000 0.988 79 T CB 1.929 70.972 68.868 0.292 0.000 1.043 79 T HN 0.742 nan 8.240 nan 0.000 0.461 80 A N 3.397 126.147 122.820 -0.116 0.000 2.606 80 A HA 0.925 5.244 4.320 -0.001 0.000 0.293 80 A C -3.095 174.303 177.584 -0.310 0.000 1.082 80 A CA -1.760 50.161 52.037 -0.193 0.000 0.685 80 A CB 1.594 20.492 19.000 -0.171 0.000 1.284 80 A HN 0.530 nan 8.150 nan 0.000 0.408 81 P HA 0.432 nan 4.420 nan 0.000 0.288 81 P C -1.023 176.277 177.300 0.001 0.000 1.267 81 P CA 0.049 63.154 63.100 0.009 0.000 0.815 81 P CB 0.520 32.423 31.700 0.338 0.000 0.989 82 Y N 0.075 120.483 120.300 0.180 0.000 2.286 82 Y HA 0.158 4.708 4.550 -0.001 0.000 0.347 82 Y C 1.870 177.821 175.900 0.086 0.000 1.351 82 Y CA -0.518 57.646 58.100 0.106 0.000 1.640 82 Y CB 0.380 38.878 38.460 0.063 0.000 1.560 82 Y HN 0.289 nan 8.280 nan 0.000 0.574 83 S N 1.858 117.679 115.700 0.201 0.000 2.525 83 S HA 0.028 4.498 4.470 -0.001 0.000 0.285 83 S C -1.739 172.808 174.600 -0.089 0.000 1.283 83 S CA -1.259 56.959 58.200 0.029 0.000 1.072 83 S CB 0.444 63.652 63.200 0.014 0.000 0.867 83 S HN 0.339 nan 8.310 nan 0.000 0.492 84 P HA -0.165 nan 4.420 nan 0.000 0.217 84 P C 1.778 178.981 177.300 -0.162 0.000 1.148 84 P CA 1.613 64.445 63.100 -0.447 0.000 0.834 84 P CB -0.248 31.218 31.700 -0.390 0.000 0.783 85 S N -0.334 115.309 115.700 -0.094 0.000 2.392 85 S HA -0.223 4.247 4.470 -0.001 0.000 0.232 85 S C 1.899 176.479 174.600 -0.033 0.000 1.041 85 S CA 1.451 59.621 58.200 -0.050 0.000 1.026 85 S CB -1.775 61.401 63.200 -0.039 0.000 0.845 85 S HN 0.131 nan 8.310 nan 0.000 0.465 86 L N 1.699 122.907 121.223 -0.026 0.000 2.083 86 L HA -0.028 4.311 4.340 -0.001 0.000 0.209 86 L C 2.404 179.279 176.870 0.007 0.000 1.083 86 L CA 1.485 56.313 54.840 -0.020 0.000 0.752 86 L CB -0.762 41.277 42.059 -0.034 0.000 0.899 86 L HN 0.626 nan 8.230 nan 0.000 0.433 87 S N -1.375 114.348 115.700 0.039 0.000 2.601 87 S HA 0.356 4.825 4.470 -0.001 0.000 0.244 87 S C 1.536 176.165 174.600 0.048 0.000 1.001 87 S CA 0.079 58.319 58.200 0.066 0.000 0.984 87 S CB 0.687 63.978 63.200 0.151 0.000 0.842 87 S HN 0.203 nan 8.310 nan 0.000 0.474 88 A N 1.712 124.541 122.820 0.016 0.000 2.019 88 A HA 0.205 4.524 4.320 -0.001 0.000 0.219 88 A C 2.077 179.670 177.584 0.014 0.000 1.164 88 A CA 1.389 53.431 52.037 0.008 0.000 0.644 88 A CB -1.232 17.763 19.000 -0.008 0.000 0.805 88 A HN 0.703 nan 8.150 nan 0.000 0.449 89 G N -0.792 108.016 108.800 0.013 0.000 2.920 89 G HA2 0.167 4.126 3.960 -0.001 0.000 0.208 89 G HA3 0.167 4.126 3.960 -0.001 0.000 0.208 89 G C 0.451 175.362 174.900 0.020 0.000 1.159 89 G CA -0.077 45.030 45.100 0.012 0.000 0.784 89 G HN 0.609 nan 8.290 nan 0.000 0.535 90 E N -0.043 120.176 120.200 0.032 0.000 2.319 90 E HA 0.515 4.865 4.350 -0.001 0.000 0.268 90 E C -0.008 176.616 176.600 0.041 0.000 1.050 90 E CA -0.448 55.975 56.400 0.038 0.000 0.878 90 E CB 1.653 31.386 29.700 0.056 0.000 1.066 90 E HN 0.386 nan 8.360 nan 0.000 0.406 91 I N -1.858 118.732 120.570 0.035 0.000 3.067 91 I HA 0.361 4.530 4.170 -0.001 0.000 0.312 91 I C 0.855 176.993 176.117 0.035 0.000 1.073 91 I CA -1.075 60.245 61.300 0.033 0.000 1.016 91 I CB 1.616 39.630 38.000 0.022 0.000 1.227 91 I HN 0.300 nan 8.210 nan 0.000 0.456 92 K N 1.356 121.775 120.400 0.033 0.000 2.015 92 K HA -0.116 4.204 4.320 -0.001 0.000 0.216 92 K C -0.777 175.837 176.600 0.023 0.000 1.052 92 K CA 2.318 58.624 56.287 0.031 0.000 0.937 92 K CB -1.488 31.025 32.500 0.022 0.000 0.719 92 K HN 0.574 nan 8.250 nan 0.000 0.446 93 P HA -0.168 nan 4.420 nan 0.000 0.218 93 P C 0.847 178.154 177.300 0.012 0.000 1.146 93 P CA 1.634 64.739 63.100 0.010 0.000 0.820 93 P CB -0.134 31.569 31.700 0.006 0.000 0.778 94 T N -6.910 107.654 114.554 0.017 0.000 3.174 94 T HA 0.142 4.492 4.350 -0.001 0.000 0.269 94 T C 0.580 175.294 174.700 0.023 0.000 1.017 94 T CA -0.333 61.778 62.100 0.017 0.000 0.899 94 T CB -0.911 67.966 68.868 0.015 0.000 1.077 94 T HN -0.078 nan 8.240 nan 0.000 0.552 95 T N 2.428 117.001 114.554 0.032 0.000 2.926 95 T HA 0.246 4.596 4.350 -0.001 0.000 0.307 95 T C 1.482 176.201 174.700 0.032 0.000 1.059 95 T CA 0.628 62.755 62.100 0.046 0.000 1.122 95 T CB 0.840 69.747 68.868 0.065 0.000 0.972 95 T HN 0.510 nan 8.240 nan 0.000 0.545 96 T N 1.541 116.112 114.554 0.029 0.000 3.069 96 T HA 0.487 4.837 4.350 -0.001 0.000 0.252 96 T C 0.852 175.530 174.700 -0.036 0.000 1.053 96 T CA 0.064 62.159 62.100 -0.007 0.000 0.964 96 T CB -0.003 68.852 68.868 -0.020 0.000 1.005 96 T HN 0.779 nan 8.240 nan 0.000 0.532 97 A N 1.990 124.825 122.820 0.025 0.000 2.531 97 A HA 0.458 4.777 4.320 -0.001 0.000 0.236 97 A C 1.603 179.240 177.584 0.090 0.000 1.062 97 A CA 0.172 52.255 52.037 0.077 0.000 0.760 97 A CB 0.170 19.326 19.000 0.261 0.000 0.995 97 A HN 0.588 nan 8.150 nan 0.000 0.501 98 S N 1.460 117.225 115.700 0.108 0.000 2.503 98 S HA 0.197 4.667 4.470 -0.001 0.000 0.217 98 S C 0.363 175.123 174.600 0.267 0.000 0.999 98 S CA 0.243 58.514 58.200 0.117 0.000 0.914 98 S CB -0.198 62.969 63.200 -0.055 0.000 0.782 98 S HN 0.544 nan 8.310 nan 0.000 0.520 99 I N 3.313 124.110 120.570 0.378 0.000 2.388 99 I HA 0.313 4.482 4.170 -0.001 0.000 0.281 99 I C -1.861 174.347 176.117 0.152 0.000 1.046 99 I CA -2.465 58.961 61.300 0.210 0.000 1.187 99 I CB 1.832 39.929 38.000 0.161 0.000 1.351 99 I HN -0.024 nan 8.210 nan 0.000 0.472 100 P HA -0.208 nan 4.420 nan 0.000 0.218 100 P C 1.407 178.745 177.300 0.064 0.000 1.146 100 P CA 1.335 64.479 63.100 0.073 0.000 0.813 100 P CB 0.072 31.785 31.700 0.021 0.000 0.778 101 S N -1.882 113.849 115.700 0.052 0.000 2.515 101 S HA -0.072 4.398 4.470 -0.001 0.000 0.231 101 S C 0.645 175.296 174.600 0.084 0.000 0.987 101 S CA -0.429 57.794 58.200 0.038 0.000 0.936 101 S CB -1.378 61.822 63.200 0.001 0.000 0.766 101 S HN 0.008 nan 8.310 nan 0.000 0.528 102 F N 3.129 123.061 119.950 -0.030 0.000 2.607 102 F HA 0.332 4.858 4.527 -0.001 0.000 0.374 102 F C 0.130 175.881 175.800 -0.082 0.000 1.104 102 F CA 0.010 57.969 58.000 -0.068 0.000 1.296 102 F CB 0.315 39.115 39.000 -0.333 0.000 1.085 102 F HN 0.165 nan 8.300 nan 0.000 0.584 103 D N 3.320 123.111 120.400 -1.014 0.000 2.863 103 D HA 0.230 4.869 4.640 -0.001 0.000 0.245 103 D C 0.281 175.975 176.300 -1.009 0.000 1.211 103 D CA -0.430 53.162 54.000 -0.680 0.000 0.888 103 D CB 0.897 41.525 40.800 -0.288 0.000 1.483 103 D HN 0.606 nan 8.370 nan 0.000 0.533 104 H N 1.939 120.748 119.070 -0.435 0.000 2.319 104 H HA -0.023 4.533 4.556 -0.000 0.000 0.299 104 H C 2.038 177.205 175.328 -0.267 0.000 1.092 104 H CA 2.098 58.000 56.048 -0.244 0.000 1.302 104 H CB 0.296 30.061 29.762 0.005 0.000 1.373 104 H HN 0.533 nan 8.280 nan 0.000 0.497 105 G N -0.618 108.145 108.800 -0.062 0.000 2.404 105 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.215 105 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.215 105 G C 1.880 176.728 174.900 -0.087 0.000 1.174 105 G CA 0.999 46.069 45.100 -0.050 0.000 0.780 105 G HN 0.342 nan 8.290 nan 0.000 0.537 106 S N -0.341 115.279 115.700 -0.134 0.000 2.365 106 S HA -0.242 4.228 4.470 -0.001 0.000 0.225 106 S C 2.386 176.922 174.600 -0.106 0.000 1.039 106 S CA 1.273 59.454 58.200 -0.031 0.000 1.033 106 S CB -0.821 62.404 63.200 0.042 0.000 0.887 106 S HN 0.567 nan 8.310 nan 0.000 0.447 107 C N 2.675 121.551 119.300 -0.707 0.000 2.413 107 C HA -0.061 4.398 4.460 -0.001 0.000 0.278 107 C C 2.835 177.692 174.990 -0.221 0.000 1.224 107 C CA 0.919 59.292 59.018 -1.074 0.000 1.732 107 C CB -1.240 25.605 27.740 -1.492 0.000 2.050 107 C HN 0.525 nan 8.230 nan 0.000 0.463 108 R N 0.290 120.713 120.500 -0.129 0.000 2.091 108 R HA -0.132 4.208 4.340 -0.001 0.000 0.238 108 R C 2.633 179.013 176.300 0.133 0.000 1.136 108 R CA 1.711 57.845 56.100 0.058 0.000 0.959 108 R CB -0.812 29.511 30.300 0.039 0.000 0.856 108 R HN 0.637 nan 8.270 nan 0.000 0.437 109 S N 0.472 116.226 115.700 0.091 0.000 2.355 109 S HA -0.158 4.312 4.470 -0.001 0.000 0.222 109 S C 1.709 176.399 174.600 0.151 0.000 1.031 109 S CA 0.997 59.254 58.200 0.094 0.000 0.993 109 S CB -0.272 62.972 63.200 0.074 0.000 0.859 109 S HN 0.361 nan 8.310 nan 0.000 0.453 110 F N 0.926 120.972 119.950 0.161 0.000 2.069 110 F HA -0.113 4.413 4.527 -0.001 0.000 0.298 110 F C 1.884 177.848 175.800 0.274 0.000 1.113 110 F CA 2.056 60.258 58.000 0.337 0.000 1.214 110 F CB -0.572 38.839 39.000 0.683 0.000 0.978 110 F HN 0.351 nan 8.300 nan 0.000 0.474 111 F N 0.820 121.064 119.950 0.490 0.000 2.171 111 F HA -0.172 4.355 4.527 -0.001 0.000 0.300 111 F C 2.502 178.370 175.800 0.113 0.000 1.090 111 F CA 1.792 59.996 58.000 0.341 0.000 1.293 111 F CB -0.780 38.386 39.000 0.276 0.000 1.013 111 F HN -0.046 nan 8.300 nan 0.000 0.486 112 S N -0.934 114.811 115.700 0.075 0.000 2.356 112 S HA -0.235 4.234 4.470 -0.001 0.000 0.223 112 S C 2.238 176.711 174.600 -0.212 0.000 1.032 112 S CA 1.477 59.638 58.200 -0.065 0.000 1.005 112 S CB -0.790 62.408 63.200 -0.003 0.000 0.867 112 S HN 0.485 nan 8.310 nan 0.000 0.449 113 S N 0.402 115.915 115.700 -0.312 0.000 2.371 113 S HA -0.084 4.386 4.470 -0.001 0.000 0.224 113 S C 1.591 175.875 174.600 -0.526 0.000 1.029 113 S CA 0.798 58.710 58.200 -0.480 0.000 0.978 113 S CB -0.274 62.492 63.200 -0.723 0.000 0.833 113 S HN 0.635 nan 8.310 nan 0.000 0.466 114 H N -0.159 118.723 119.070 -0.313 0.000 2.729 114 H HA 0.370 4.926 4.556 -0.001 0.000 0.263 114 H C 1.503 176.653 175.328 -0.298 0.000 0.961 114 H CA 0.550 56.385 56.048 -0.355 0.000 1.217 114 H CB -0.140 29.264 29.762 -0.598 0.000 1.447 114 H HN 0.540 nan 8.280 nan 0.000 0.496 115 G N 1.732 110.340 108.800 -0.320 0.000 2.741 115 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.222 115 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.222 115 G C -0.502 174.352 174.900 -0.077 0.000 1.364 115 G CA -0.313 44.478 45.100 -0.515 0.000 0.866 115 G HN 0.317 nan 8.290 nan 0.000 0.555 116 L N 1.445 122.764 121.223 0.160 0.000 2.628 116 L HA 0.492 4.832 4.340 -0.001 0.000 0.274 116 L C 1.116 178.289 176.870 0.504 0.000 1.209 116 L CA 2.322 57.496 54.840 0.557 0.000 0.930 116 L CB -0.136 42.224 42.059 0.501 0.000 1.183 116 L HN 2.032 nan 8.230 nan 0.000 0.492 117 G N 3.304 112.499 108.800 0.659 0.000 2.506 117 G HA2 0.437 4.397 3.960 -0.001 0.000 0.292 117 G HA3 0.437 4.397 3.960 -0.001 0.000 0.292 117 G C -1.731 173.397 174.900 0.380 0.000 1.425 117 G CA -0.667 44.760 45.100 0.545 0.000 0.788 117 G HN 0.380 nan 8.290 nan 0.000 0.490 118 V N 1.245 121.187 119.914 0.046 0.000 2.439 118 V HA 0.248 4.367 4.120 -0.001 0.000 0.271 118 V C 1.569 177.542 176.094 -0.201 0.000 1.040 118 V CA 0.091 62.175 62.300 -0.361 0.000 1.002 118 V CB 0.953 32.496 31.823 -0.467 0.000 1.000 118 V HN 0.853 nan 8.190 nan 0.000 0.477 119 R N 5.006 125.163 120.500 -0.572 0.000 2.090 119 R HA 0.333 4.672 4.340 -0.001 0.000 0.219 119 R C 0.570 176.494 176.300 -0.626 0.000 1.100 119 R CA 1.294 56.846 56.100 -0.912 0.000 0.991 119 R CB 0.135 29.294 30.300 -1.903 0.000 0.893 119 R HN 0.724 nan 8.270 nan 0.000 0.443 120 A N 0.359 122.854 122.820 -0.543 0.000 2.359 120 A HA 0.609 4.929 4.320 -0.001 0.000 0.303 120 A C -1.403 175.981 177.584 -0.332 0.000 1.066 120 A CA -0.747 51.050 52.037 -0.400 0.000 0.730 120 A CB 2.043 20.830 19.000 -0.355 0.000 1.211 120 A HN 0.018 nan 8.150 nan 0.000 0.439 121 V N 2.450 122.206 119.914 -0.263 0.000 2.334 121 V HA 0.538 4.658 4.120 -0.001 0.000 0.267 121 V C 0.694 176.706 176.094 -0.137 0.000 1.040 121 V CA -0.104 62.096 62.300 -0.167 0.000 0.866 121 V CB 0.670 32.457 31.823 -0.060 0.000 1.019 121 V HN 1.076 nan 8.190 nan 0.000 0.468 122 A N 7.292 129.985 122.820 -0.213 0.000 2.274 122 A HA 0.849 5.168 4.320 -0.001 0.000 0.309 122 A C -0.257 177.375 177.584 0.081 0.000 1.226 122 A CA -0.486 51.409 52.037 -0.238 0.000 0.853 122 A CB 0.367 18.859 19.000 -0.847 0.000 1.146 122 A HN 0.959 nan 8.150 nan 0.000 0.518 123 I N -0.355 120.291 120.570 0.127 0.000 2.530 123 I HA 0.595 4.765 4.170 -0.001 0.000 0.297 123 I C -0.081 176.154 176.117 0.196 0.000 1.011 123 I CA -0.705 60.721 61.300 0.210 0.000 1.107 123 I CB 1.837 39.960 38.000 0.205 0.000 1.285 123 I HN 0.712 nan 8.210 nan 0.000 0.436 124 E N 5.413 125.742 120.200 0.215 0.000 2.289 124 E HA 0.477 4.826 4.350 -0.001 0.000 0.278 124 E C -0.861 175.834 176.600 0.159 0.000 1.032 124 E CA -0.664 55.840 56.400 0.173 0.000 0.854 124 E CB 1.380 31.229 29.700 0.247 0.000 1.046 124 E HN 0.645 nan 8.360 nan 0.000 0.409 125 V N 1.090 121.084 119.914 0.133 0.000 3.126 125 V HA 0.325 4.445 4.120 -0.001 0.000 0.314 125 V C 1.041 177.186 176.094 0.083 0.000 1.138 125 V CA -0.702 61.668 62.300 0.116 0.000 1.034 125 V CB 1.677 33.545 31.823 0.076 0.000 1.075 125 V HN 0.924 nan 8.190 nan 0.000 0.442 126 E N 0.341 120.585 120.200 0.074 0.000 2.106 126 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 126 E C -0.037 176.580 176.600 0.028 0.000 0.984 126 E CA 1.657 58.090 56.400 0.055 0.000 0.806 126 E CB 0.284 30.014 29.700 0.051 0.000 0.750 126 E HN 0.911 nan 8.360 nan 0.000 0.458 127 D N -1.782 118.614 120.400 -0.006 0.000 2.318 127 D HA 0.197 4.837 4.640 -0.001 0.000 0.233 127 D C -0.060 176.180 176.300 -0.101 0.000 1.348 127 D CA 0.255 54.232 54.000 -0.039 0.000 0.983 127 D CB 0.988 41.772 40.800 -0.026 0.000 1.416 127 D HN 0.053 nan 8.370 nan 0.000 0.558 128 A N 3.254 126.019 122.820 -0.091 0.000 1.972 128 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 128 A C 1.844 179.377 177.584 -0.085 0.000 1.169 128 A CA 1.633 53.610 52.037 -0.100 0.000 0.635 128 A CB -0.336 18.648 19.000 -0.026 0.000 0.810 128 A HN 0.641 nan 8.150 nan 0.000 0.446 129 E N -0.385 119.772 120.200 -0.072 0.000 2.038 129 E HA -0.202 4.148 4.350 -0.001 0.000 0.195 129 E C 2.263 178.845 176.600 -0.029 0.000 1.000 129 E CA 1.505 57.879 56.400 -0.044 0.000 0.803 129 E CB -0.190 29.480 29.700 -0.050 0.000 0.750 129 E HN 0.577 nan 8.360 nan 0.000 0.448 130 S N -0.531 115.120 115.700 -0.081 0.000 2.368 130 S HA -0.146 4.323 4.470 -0.001 0.000 0.225 130 S C 2.007 176.452 174.600 -0.260 0.000 1.030 130 S CA 1.221 59.357 58.200 -0.107 0.000 0.999 130 S CB -0.324 62.832 63.200 -0.073 0.000 0.844 130 S HN 0.422 nan 8.310 nan 0.000 0.459 131 A N 0.671 123.205 122.820 -0.476 0.000 1.908 131 A HA -0.050 4.270 4.320 -0.001 0.000 0.218 131 A C 1.996 179.064 177.584 -0.860 0.000 1.181 131 A CA 1.766 53.080 52.037 -1.206 0.000 0.627 131 A CB -1.130 16.919 19.000 -1.584 0.000 0.818 131 A HN 0.699 nan 8.150 nan 0.000 0.445 132 F N 1.165 120.860 119.950 -0.425 0.000 2.084 132 F HA -0.144 4.383 4.527 -0.001 0.000 0.296 132 F C 2.620 178.322 175.800 -0.163 0.000 1.111 132 F CA 1.974 59.888 58.000 -0.144 0.000 1.224 132 F CB -0.465 38.505 39.000 -0.051 0.000 0.991 132 F HN 0.208 nan 8.300 nan 0.000 0.471 133 S N 1.178 116.870 115.700 -0.013 0.000 2.365 133 S HA -0.254 4.216 4.470 -0.001 0.000 0.221 133 S C 1.885 176.381 174.600 -0.173 0.000 1.037 133 S CA 1.923 60.068 58.200 -0.092 0.000 1.060 133 S CB -0.721 62.479 63.200 -0.000 0.000 0.974 133 S HN 0.315 nan 8.310 nan 0.000 0.427 134 I N 1.952 122.435 120.570 -0.145 0.000 2.113 134 I HA -0.231 3.938 4.170 -0.001 0.000 0.242 134 I C 2.546 178.619 176.117 -0.073 0.000 1.064 134 I CA 1.428 62.682 61.300 -0.076 0.000 1.320 134 I CB -0.891 37.113 38.000 0.006 0.000 1.028 134 I HN 0.165 nan 8.210 nan 0.000 0.406 135 S N -0.228 115.385 115.700 -0.145 0.000 2.359 135 S HA -0.157 4.312 4.470 -0.001 0.000 0.224 135 S C 2.149 176.616 174.600 -0.222 0.000 1.035 135 S CA 1.564 59.727 58.200 -0.061 0.000 1.018 135 S CB -0.510 62.640 63.200 -0.083 0.000 0.876 135 S HN 0.296 nan 8.310 nan 0.000 0.448 136 V N 1.913 121.588 119.914 -0.397 0.000 2.515 136 V HA -0.127 3.993 4.120 -0.001 0.000 0.250 136 V C 2.582 178.557 176.094 -0.198 0.000 1.058 136 V CA 1.436 63.502 62.300 -0.389 0.000 1.064 136 V CB -1.201 30.265 31.823 -0.595 0.000 0.675 136 V HN 0.540 nan 8.190 nan 0.000 0.461 137 A N 0.130 122.862 122.820 -0.147 0.000 2.019 137 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 137 A C 1.754 179.318 177.584 -0.034 0.000 1.164 137 A CA 1.595 53.589 52.037 -0.071 0.000 0.644 137 A CB -0.461 18.509 19.000 -0.050 0.000 0.805 137 A HN 0.627 nan 8.150 nan 0.000 0.449 138 N N -0.884 117.805 118.700 -0.019 0.000 2.320 138 N HA 0.252 4.991 4.740 -0.001 0.000 0.237 138 N C 0.766 176.303 175.510 0.045 0.000 1.129 138 N CA 0.720 53.784 53.050 0.024 0.000 0.854 138 N CB 0.673 39.193 38.487 0.054 0.000 1.083 138 N HN 0.592 nan 8.380 nan 0.000 0.504 139 G N 0.325 109.131 108.800 0.011 0.000 2.159 139 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.227 139 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.227 139 G C 0.232 175.180 174.900 0.080 0.000 0.986 139 G CA -0.033 45.103 45.100 0.060 0.000 0.651 139 G HN 0.514 nan 8.290 nan 0.000 0.523 140 A N 0.888 123.619 122.820 -0.149 0.000 2.425 140 A HA 0.606 4.926 4.320 -0.001 0.000 0.249 140 A C 0.732 178.213 177.584 -0.172 0.000 1.084 140 A CA -0.046 51.745 52.037 -0.409 0.000 0.781 140 A CB 0.217 18.528 19.000 -1.147 0.000 1.019 140 A HN 0.657 nan 8.150 nan 0.000 0.490 141 I N 4.220 124.785 120.570 -0.008 0.000 2.363 141 I HA 0.194 4.363 4.170 -0.001 0.000 0.292 141 I C -1.992 174.057 176.117 -0.114 0.000 1.075 141 I CA -2.372 58.898 61.300 -0.051 0.000 1.333 141 I CB 0.224 38.204 38.000 -0.034 0.000 1.415 141 I HN 0.389 nan 8.210 nan 0.000 0.502 142 P HA 0.069 nan 4.420 nan 0.000 0.268 142 P C 0.344 177.678 177.300 0.057 0.000 1.205 142 P CA 0.095 63.195 63.100 0.001 0.000 0.771 142 P CB 1.702 33.456 31.700 0.089 0.000 0.858 143 S N 1.165 116.923 115.700 0.097 0.000 2.931 143 S HA 0.162 4.632 4.470 -0.001 0.000 0.251 143 S C 0.417 175.029 174.600 0.019 0.000 1.078 143 S CA 0.251 58.467 58.200 0.027 0.000 0.835 143 S CB 0.066 63.248 63.200 -0.030 0.000 0.798 143 S HN 0.545 nan 8.310 nan 0.000 0.495 144 S N 2.469 118.174 115.700 0.009 0.000 2.575 144 S HA 0.674 5.144 4.470 -0.001 0.000 0.278 144 S C -3.101 171.328 174.600 -0.284 0.000 1.139 144 S CA -1.568 56.579 58.200 -0.087 0.000 0.954 144 S CB 1.894 65.037 63.200 -0.095 0.000 1.054 144 S HN 0.255 nan 8.310 nan 0.000 0.483 145 P HA 0.336 nan 4.420 nan 0.000 0.274 145 P C -2.887 174.013 177.300 -0.665 0.000 1.237 145 P CA -1.696 60.909 63.100 -0.825 0.000 0.793 145 P CB -0.760 30.697 31.700 -0.405 0.000 0.977 146 P HA 0.170 nan 4.420 nan 0.000 0.262 146 P C -0.470 176.682 177.300 -0.246 0.000 1.199 146 P CA 0.783 63.644 63.100 -0.398 0.000 0.763 146 P CB -0.074 31.442 31.700 -0.306 0.000 0.790 147 I N 3.572 124.032 120.570 -0.184 0.000 2.474 147 I HA 0.225 4.395 4.170 -0.001 0.000 0.294 147 I C -0.281 175.770 176.117 -0.111 0.000 1.005 147 I CA -0.852 60.372 61.300 -0.127 0.000 1.113 147 I CB 2.136 40.077 38.000 -0.100 0.000 1.289 147 I HN 0.002 nan 8.210 nan 0.000 0.436 148 V N 7.015 126.876 119.914 -0.089 0.000 2.364 148 V HA 0.335 4.454 4.120 -0.001 0.000 0.272 148 V C 0.007 176.061 176.094 -0.067 0.000 1.036 148 V CA -0.522 61.729 62.300 -0.082 0.000 0.880 148 V CB 0.807 32.591 31.823 -0.065 0.000 0.991 148 V HN 0.420 nan 8.190 nan 0.000 0.460 149 L N 5.027 126.204 121.223 -0.077 0.000 2.257 149 L HA 0.458 4.797 4.340 -0.001 0.000 0.290 149 L C 1.287 178.133 176.870 -0.039 0.000 1.044 149 L CA -0.206 54.602 54.840 -0.054 0.000 0.810 149 L CB 0.545 42.568 42.059 -0.060 0.000 1.193 149 L HN 0.854 nan 8.230 nan 0.000 0.425 150 N N 3.312 122.000 118.700 -0.019 0.000 2.708 150 N HA -0.247 4.492 4.740 -0.001 0.000 0.249 150 N C -0.068 175.437 175.510 -0.009 0.000 1.097 150 N CA 1.051 54.097 53.050 -0.007 0.000 0.710 150 N CB -0.228 38.262 38.487 0.006 0.000 1.032 150 N HN 0.948 nan 8.380 nan 0.000 0.551 151 E N -3.790 116.399 120.200 -0.019 0.000 2.586 151 E HA -0.283 4.067 4.350 -0.001 0.000 0.259 151 E C 0.509 177.101 176.600 -0.014 0.000 1.107 151 E CA 0.745 57.135 56.400 -0.017 0.000 0.754 151 E CB -1.543 28.153 29.700 -0.007 0.000 1.335 151 E HN 0.671 nan 8.360 nan 0.000 0.411 152 A N -0.876 121.927 122.820 -0.029 0.000 1.878 152 A HA 0.389 4.709 4.320 -0.001 0.000 0.201 152 A C 0.414 177.950 177.584 -0.081 0.000 1.684 152 A CA 0.497 52.524 52.037 -0.016 0.000 1.113 152 A CB 1.178 20.187 19.000 0.015 0.000 1.131 152 A HN 0.072 nan 8.150 nan 0.000 0.472 153 V N 1.152 120.965 119.914 -0.169 0.000 2.680 153 V HA 0.609 4.728 4.120 -0.001 0.000 0.309 153 V C -0.729 175.211 176.094 -0.257 0.000 1.052 153 V CA -0.392 61.696 62.300 -0.353 0.000 0.908 153 V CB 1.754 33.262 31.823 -0.526 0.000 1.001 153 V HN 0.272 nan 8.190 nan 0.000 0.431 154 T N 5.423 119.821 114.554 -0.261 0.000 2.812 154 T HA 0.613 4.962 4.350 -0.001 0.000 0.282 154 T C -0.538 174.052 174.700 -0.183 0.000 0.990 154 T CA -0.163 61.828 62.100 -0.181 0.000 0.960 154 T CB 1.415 70.205 68.868 -0.130 0.000 0.948 154 T HN 0.616 nan 8.240 nan 0.000 0.438 155 I N 2.368 122.841 120.570 -0.161 0.000 2.603 155 I HA 0.847 5.017 4.170 -0.001 0.000 0.300 155 I C -1.022 175.017 176.117 -0.130 0.000 1.017 155 I CA -0.845 60.375 61.300 -0.135 0.000 1.098 155 I CB 1.367 39.288 38.000 -0.132 0.000 1.279 155 I HN 0.775 nan 8.210 nan 0.000 0.437 156 A N 5.699 128.468 122.820 -0.085 0.000 2.587 156 A HA 0.747 5.067 4.320 -0.001 0.000 0.293 156 A C -1.528 175.992 177.584 -0.106 0.000 1.087 156 A CA -0.583 51.381 52.037 -0.122 0.000 0.692 156 A CB 1.872 20.838 19.000 -0.057 0.000 1.291 156 A HN 0.756 nan 8.150 nan 0.000 0.407 157 E N -0.190 119.957 120.200 -0.088 0.000 2.292 157 E HA 0.557 4.906 4.350 -0.001 0.000 0.272 157 E C -1.098 175.476 176.600 -0.044 0.000 0.881 157 E CA -0.806 55.505 56.400 -0.149 0.000 0.754 157 E CB 2.610 32.222 29.700 -0.145 0.000 1.201 157 E HN 0.857 nan 8.360 nan 0.000 0.425 158 V N -0.828 118.951 119.914 -0.225 0.000 3.001 158 V HA 0.552 4.671 4.120 -0.001 0.000 0.314 158 V C -0.391 175.578 176.094 -0.209 0.000 1.099 158 V CA -1.215 60.941 62.300 -0.241 0.000 0.989 158 V CB 1.717 33.237 31.823 -0.504 0.000 1.040 158 V HN 0.513 nan 8.190 nan 0.000 0.434 159 K N 1.313 121.639 120.400 -0.123 0.000 2.448 159 K HA 0.232 4.552 4.320 -0.001 0.000 0.278 159 K C 0.046 176.697 176.600 0.084 0.000 1.009 159 K CA -0.187 56.082 56.287 -0.031 0.000 0.995 159 K CB 1.153 33.652 32.500 -0.002 0.000 0.917 159 K HN 0.656 nan 8.250 nan 0.000 0.481 160 L N 3.691 124.904 121.223 -0.017 0.000 2.416 160 L HA 0.153 4.493 4.340 -0.001 0.000 0.188 160 L C -0.622 176.239 176.870 -0.015 0.000 1.145 160 L CA 1.102 55.899 54.840 -0.072 0.000 0.826 160 L CB 0.265 42.013 42.059 -0.518 0.000 1.064 160 L HN 0.675 nan 8.230 nan 0.000 0.490 161 Y N -2.186 118.178 120.300 0.106 0.000 2.521 161 Y HA 0.631 5.181 4.550 -0.001 0.000 0.332 161 Y C 0.358 176.262 175.900 0.008 0.000 1.121 161 Y CA -1.534 56.596 58.100 0.050 0.000 1.037 161 Y CB -0.092 38.395 38.460 0.045 0.000 1.330 161 Y HN 0.429 nan 8.280 nan 0.000 0.452 162 G N 1.836 110.754 108.800 0.197 0.000 2.622 162 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.307 162 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.307 162 G C 0.025 174.979 174.900 0.089 0.000 1.226 162 G CA 0.939 46.105 45.100 0.111 0.000 0.997 162 G HN 0.791 nan 8.290 nan 0.000 0.551 163 D N 0.643 121.085 120.400 0.069 0.000 2.463 163 D HA 0.348 4.988 4.640 -0.001 0.000 0.224 163 D C 0.602 177.004 176.300 0.170 0.000 1.174 163 D CA 0.166 54.268 54.000 0.170 0.000 0.829 163 D CB 0.638 41.656 40.800 0.362 0.000 0.993 163 D HN 0.320 nan 8.370 nan 0.000 0.497 164 V N 1.644 121.599 119.914 0.068 0.000 2.465 164 V HA 0.257 4.376 4.120 -0.001 0.000 0.279 164 V C 0.632 176.618 176.094 -0.181 0.000 1.045 164 V CA -0.814 61.450 62.300 -0.061 0.000 0.938 164 V CB 1.617 33.403 31.823 -0.061 0.000 0.986 164 V HN -0.007 nan 8.190 nan 0.000 0.467 165 V N 3.583 123.351 119.914 -0.243 0.000 2.667 165 V HA 0.700 4.820 4.120 -0.001 0.000 0.308 165 V C -0.539 175.391 176.094 -0.273 0.000 1.048 165 V CA -1.037 61.117 62.300 -0.243 0.000 0.928 165 V CB 1.704 33.381 31.823 -0.243 0.000 1.004 165 V HN 0.651 nan 8.190 nan 0.000 0.444 166 L N 4.183 125.247 121.223 -0.265 0.000 2.260 166 L HA 0.552 4.892 4.340 -0.001 0.000 0.289 166 L C 0.211 176.802 176.870 -0.465 0.000 1.057 166 L CA -0.094 54.572 54.840 -0.290 0.000 0.811 166 L CB 0.705 42.653 42.059 -0.184 0.000 1.184 166 L HN 0.940 nan 8.230 nan 0.000 0.429 167 R N 4.819 125.097 120.500 -0.370 0.000 2.255 167 R HA 0.325 4.664 4.340 -0.001 0.000 0.326 167 R C -1.488 174.653 176.300 -0.265 0.000 0.986 167 R CA -0.459 55.434 56.100 -0.345 0.000 0.847 167 R CB 0.556 30.713 30.300 -0.238 0.000 1.111 167 R HN 0.642 nan 8.270 nan 0.000 0.452 168 Y N 3.663 123.923 120.300 -0.067 0.000 2.350 168 Y HA 0.333 4.882 4.550 -0.001 0.000 0.340 168 Y C 0.011 175.839 175.900 -0.120 0.000 1.006 168 Y CA -1.003 57.055 58.100 -0.069 0.000 1.166 168 Y CB 1.682 40.091 38.460 -0.086 0.000 1.168 168 Y HN 0.170 nan 8.280 nan 0.000 0.502 169 V N 3.013 122.936 119.914 0.015 0.000 2.628 169 V HA 0.661 4.780 4.120 -0.001 0.000 0.306 169 V C -0.491 175.538 176.094 -0.109 0.000 1.045 169 V CA -0.781 61.422 62.300 -0.162 0.000 0.905 169 V CB 1.868 33.451 31.823 -0.400 0.000 0.997 169 V HN 0.827 nan 8.190 nan 0.000 0.436 170 S N 2.830 118.412 115.700 -0.197 0.000 2.537 170 S HA 0.792 5.261 4.470 -0.001 0.000 0.270 170 S C -1.675 172.806 174.600 -0.199 0.000 1.142 170 S CA -0.783 57.375 58.200 -0.070 0.000 0.870 170 S CB 1.471 64.648 63.200 -0.038 0.000 1.112 170 S HN 0.434 nan 8.310 nan 0.000 0.466 171 Y N 1.254 121.537 120.300 -0.029 0.000 2.429 171 Y HA 0.544 5.094 4.550 -0.001 0.000 0.342 171 Y C 1.512 177.407 175.900 -0.008 0.000 1.004 171 Y CA -1.025 57.065 58.100 -0.018 0.000 1.075 171 Y CB 1.995 40.456 38.460 0.002 0.000 1.214 171 Y HN 0.890 nan 8.280 nan 0.000 0.455 172 K N 2.793 123.261 120.400 0.113 0.000 2.009 172 K HA 0.111 4.430 4.320 -0.001 0.000 0.210 172 K C 0.410 177.069 176.600 0.098 0.000 1.049 172 K CA 1.502 57.835 56.287 0.076 0.000 0.929 172 K CB -0.212 32.316 32.500 0.047 0.000 0.714 172 K HN 0.953 nan 8.250 nan 0.000 0.440 180 E N 1.713 121.972 120.200 0.099 0.000 2.229 180 E HA 0.412 4.761 4.350 -0.001 0.000 0.283 180 E C 0.140 176.883 176.600 0.237 0.000 1.030 180 E CA -0.648 55.848 56.400 0.160 0.000 0.836 180 E CB 1.015 30.807 29.700 0.152 0.000 1.068 180 E HN 0.267 nan 8.360 nan 0.000 0.401 181 F N 3.537 123.520 119.950 0.055 0.000 2.085 181 F HA 0.193 4.720 4.527 -0.001 0.000 0.284 181 F C 0.189 176.022 175.800 0.055 0.000 1.127 181 F CA 0.837 58.827 58.000 -0.016 0.000 1.164 181 F CB 0.291 39.120 39.000 -0.285 0.000 1.035 181 F HN 0.341 nan 8.300 nan 0.000 0.481 182 L N -0.721 120.433 121.223 -0.115 0.000 2.469 182 L HA 0.381 4.720 4.340 -0.001 0.000 0.256 182 L C -2.577 174.378 176.870 0.142 0.000 1.006 182 L CA -2.312 52.444 54.840 -0.140 0.000 0.832 182 L CB 1.796 43.626 42.059 -0.381 0.000 1.421 182 L HN -0.172 nan 8.230 nan 0.000 0.410 183 P HA 0.117 nan 4.420 nan 0.000 0.262 183 P C 0.739 178.142 177.300 0.171 0.000 1.182 183 P CA 1.040 64.206 63.100 0.109 0.000 0.761 183 P CB 0.613 32.340 31.700 0.044 0.000 0.795 184 G N 1.740 110.624 108.800 0.140 0.000 2.258 184 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.233 184 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.233 184 G C -0.040 174.894 174.900 0.057 0.000 1.006 184 G CA -0.558 44.586 45.100 0.073 0.000 0.620 184 G HN 0.415 nan 8.290 nan 0.000 0.511 185 F N 2.808 122.811 119.950 0.088 0.000 2.427 185 F HA 0.497 5.023 4.527 -0.001 0.000 0.352 185 F C 1.017 176.868 175.800 0.086 0.000 1.100 185 F CA -0.237 57.836 58.000 0.122 0.000 1.191 185 F CB 0.803 39.960 39.000 0.262 0.000 1.128 185 F HN 0.094 nan 8.300 nan 0.000 0.533 186 E N 3.268 123.568 120.200 0.167 0.000 2.266 186 E HA 0.265 4.615 4.350 -0.001 0.000 0.277 186 E C -0.302 176.359 176.600 0.101 0.000 1.018 186 E CA -0.982 55.482 56.400 0.107 0.000 0.840 186 E CB 1.110 30.838 29.700 0.048 0.000 1.082 186 E HN 0.518 nan 8.360 nan 0.000 0.395 187 R N 0.324 120.862 120.500 0.063 0.000 2.491 187 R HA 0.181 4.520 4.340 -0.001 0.000 0.283 187 R C -0.477 175.787 176.300 -0.060 0.000 1.072 187 R CA -0.479 55.628 56.100 0.011 0.000 1.048 187 R CB 0.198 30.509 30.300 0.019 0.000 0.983 187 R HN 0.139 nan 8.270 nan 0.000 0.450 188 V N 3.595 123.408 119.914 -0.168 0.000 2.267 188 V HA 0.062 4.181 4.120 -0.001 0.000 0.254 188 V C 0.085 176.102 176.094 -0.130 0.000 1.144 188 V CA -0.260 61.895 62.300 -0.242 0.000 0.992 188 V CB -0.427 31.008 31.823 -0.646 0.000 1.199 188 V HN 0.929 nan 8.190 nan 0.000 0.493 189 E N 2.300 122.464 120.200 -0.060 0.000 2.256 189 E HA 0.697 5.047 4.350 -0.001 0.000 0.243 189 E C -1.094 175.497 176.600 -0.015 0.000 0.925 189 E CA -0.594 55.787 56.400 -0.031 0.000 0.748 189 E CB 1.268 30.958 29.700 -0.017 0.000 1.206 189 E HN 0.465 nan 8.360 nan 0.000 0.428 190 D N 1.522 121.918 120.400 -0.007 0.000 2.769 190 D HA 0.227 4.866 4.640 -0.001 0.000 0.309 190 D C 0.050 176.366 176.300 0.026 0.000 1.315 190 D CA -0.244 53.762 54.000 0.010 0.000 0.780 190 D CB 0.652 41.459 40.800 0.012 0.000 1.312 190 D HN 0.290 nan 8.370 nan 0.000 0.437 191 A N -0.339 122.505 122.820 0.039 0.000 2.239 191 A HA 0.032 4.351 4.320 -0.001 0.000 0.209 191 A C 1.399 179.048 177.584 0.109 0.000 1.171 191 A CA 1.251 53.328 52.037 0.066 0.000 0.768 191 A CB -0.167 18.868 19.000 0.058 0.000 0.790 191 A HN 0.247 nan 8.150 nan 0.000 0.478 192 S N -0.101 115.663 115.700 0.107 0.000 2.517 192 S HA 0.059 4.528 4.470 -0.001 0.000 0.214 192 S C 0.780 175.519 174.600 0.231 0.000 0.991 192 S CA 0.493 58.793 58.200 0.168 0.000 0.906 192 S CB 0.096 63.391 63.200 0.157 0.000 0.789 192 S HN 0.714 nan 8.310 nan 0.000 0.513 193 S N 1.240 117.031 115.700 0.152 0.000 2.406 193 S HA 0.511 4.981 4.470 -0.001 0.000 0.224 193 S C -0.600 174.118 174.600 0.196 0.000 1.426 193 S CA -0.729 57.578 58.200 0.178 0.000 1.179 193 S CB -0.261 62.962 63.200 0.038 0.000 1.042 193 S HN 0.242 nan 8.310 nan 0.000 0.479 194 F N 4.376 124.392 119.950 0.110 0.000 2.506 194 F HA 0.372 4.899 4.527 -0.001 0.000 0.351 194 F C -1.769 174.088 175.800 0.095 0.000 1.136 194 F CA -1.614 56.443 58.000 0.095 0.000 1.298 194 F CB 1.014 40.076 39.000 0.104 0.000 1.145 194 F HN 0.356 nan 8.300 nan 0.000 0.593 195 P HA 0.150 nan 4.420 nan 0.000 0.212 195 P C -0.709 176.764 177.300 0.288 0.000 1.816 195 P CA 0.127 63.305 63.100 0.130 0.000 0.944 195 P CB -0.269 31.407 31.700 -0.040 0.000 1.896 196 L N 1.057 122.530 121.223 0.416 0.000 2.483 196 L HA 0.223 4.562 4.340 -0.001 0.000 0.276 196 L C 0.763 177.689 176.870 0.093 0.000 1.213 196 L CA 0.908 55.919 54.840 0.285 0.000 0.843 196 L CB 0.007 42.158 42.059 0.153 0.000 1.107 196 L HN 0.165 nan 8.230 nan 0.000 0.487 197 D N 0.657 121.103 120.400 0.076 0.000 2.301 197 D HA 0.104 4.743 4.640 -0.001 0.000 0.203 197 D C -0.676 175.741 176.300 0.196 0.000 1.300 197 D CA -0.414 53.601 54.000 0.025 0.000 0.899 197 D CB 0.140 40.981 40.800 0.067 0.000 1.597 197 D HN 0.415 nan 8.370 nan 0.000 0.538 198 Y N 2.224 122.542 120.300 0.029 0.000 2.493 198 Y HA 0.403 4.952 4.550 -0.001 0.000 0.275 198 Y C 1.928 177.832 175.900 0.006 0.000 1.183 198 Y CA -0.427 57.680 58.100 0.011 0.000 1.258 198 Y CB 1.010 39.464 38.460 -0.010 0.000 1.108 198 Y HN 0.611 nan 8.280 nan 0.000 0.521 199 G N 1.075 109.943 108.800 0.114 0.000 2.176 199 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.232 199 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.232 199 G C 0.026 174.941 174.900 0.025 0.000 0.986 199 G CA -0.439 44.700 45.100 0.065 0.000 0.643 199 G HN 0.293 nan 8.290 nan 0.000 0.522 200 I N 0.587 121.158 120.570 0.002 0.000 2.648 200 I HA 0.278 4.448 4.170 -0.001 0.000 0.284 200 I C 1.607 177.698 176.117 -0.043 0.000 1.153 200 I CA -0.134 61.145 61.300 -0.035 0.000 1.426 200 I CB 0.811 38.767 38.000 -0.074 0.000 1.381 200 I HN 0.018 nan 8.210 nan 0.000 0.571 201 R N 4.566 125.044 120.500 -0.036 0.000 2.470 201 R HA 0.261 4.601 4.340 -0.001 0.000 0.210 201 R C 0.054 176.340 176.300 -0.023 0.000 0.873 201 R CA 0.157 56.243 56.100 -0.022 0.000 1.015 201 R CB 0.628 30.928 30.300 0.001 0.000 1.348 201 R HN 0.726 nan 8.270 nan 0.000 0.650 202 R N -0.513 119.973 120.500 -0.023 0.000 2.728 202 R HA 0.326 4.665 4.340 -0.001 0.000 0.274 202 R C -1.523 174.768 176.300 -0.014 0.000 1.030 202 R CA -0.835 55.265 56.100 0.000 0.000 0.876 202 R CB 0.514 30.843 30.300 0.048 0.000 1.259 202 R HN -0.098 nan 8.270 nan 0.000 0.468 203 L N 1.912 123.133 121.223 -0.005 0.000 2.319 203 L HA 0.241 4.580 4.340 -0.001 0.000 0.280 203 L C 0.330 177.220 176.870 0.032 0.000 1.099 203 L CA 0.528 55.311 54.840 -0.095 0.000 0.828 203 L CB 1.241 43.085 42.059 -0.358 0.000 1.150 203 L HN 0.918 nan 8.230 nan 0.000 0.442 204 D N 1.998 122.405 120.400 0.012 0.000 2.269 204 D HA 0.022 4.662 4.640 -0.001 0.000 0.220 204 D C -0.178 176.317 176.300 0.325 0.000 0.962 204 D CA 1.040 55.140 54.000 0.167 0.000 0.884 204 D CB 0.292 41.182 40.800 0.150 0.000 1.023 204 D HN 0.712 nan 8.370 nan 0.000 0.484 205 H N -2.032 117.089 119.070 0.084 0.000 3.037 205 H HA 0.712 5.268 4.556 -0.001 0.000 0.355 205 H C -1.709 173.541 175.328 -0.131 0.000 1.263 205 H CA -1.312 54.780 56.048 0.074 0.000 1.129 205 H CB 1.104 30.927 29.762 0.101 0.000 1.861 205 H HN -0.008 nan 8.280 nan 0.000 0.546 206 A N 1.890 124.715 122.820 0.009 0.000 2.357 206 A HA 0.551 4.870 4.320 -0.001 0.000 0.295 206 A C -1.077 176.453 177.584 -0.090 0.000 1.121 206 A CA -0.612 51.343 52.037 -0.136 0.000 0.742 206 A CB 1.188 20.097 19.000 -0.153 0.000 1.181 206 A HN 0.383 nan 8.150 nan 0.000 0.454 207 V N 1.914 121.666 119.914 -0.270 0.000 2.459 207 V HA 0.767 4.887 4.120 -0.001 0.000 0.295 207 V C 0.807 176.737 176.094 -0.273 0.000 1.029 207 V CA -0.130 61.990 62.300 -0.301 0.000 0.874 207 V CB 1.833 33.315 31.823 -0.569 0.000 0.985 207 V HN 1.103 nan 8.190 nan 0.000 0.438 208 G N 2.303 110.909 108.800 -0.323 0.000 2.420 208 G HA2 0.522 4.481 3.960 -0.001 0.000 0.331 208 G HA3 0.522 4.481 3.960 -0.001 0.000 0.331 208 G C -0.779 173.739 174.900 -0.637 0.000 1.168 208 G CA -0.600 44.090 45.100 -0.683 0.000 0.936 208 G HN 0.552 nan 8.290 nan 0.000 0.479 209 N N 0.175 118.500 118.700 -0.624 0.000 2.425 209 N HA 0.549 5.288 4.740 -0.001 0.000 0.268 209 N C -0.066 175.250 175.510 -0.323 0.000 0.991 209 N CA -0.313 52.450 53.050 -0.479 0.000 0.931 209 N CB 1.965 40.040 38.487 -0.687 0.000 1.130 209 N HN 0.535 nan 8.380 nan 0.000 0.493 210 V N 0.833 120.608 119.914 -0.231 0.000 3.040 210 V HA 0.662 4.782 4.120 -0.001 0.000 0.312 210 V C -1.995 174.065 176.094 -0.055 0.000 1.115 210 V CA -1.746 60.478 62.300 -0.127 0.000 0.998 210 V CB 2.467 34.213 31.823 -0.128 0.000 1.042 210 V HN 0.324 nan 8.190 nan 0.000 0.433 211 P HA 0.031 nan 4.420 nan 0.000 0.217 211 P C 0.119 177.414 177.300 -0.009 0.000 1.151 211 P CA 1.174 64.276 63.100 0.004 0.000 0.828 211 P CB 0.317 32.028 31.700 0.018 0.000 0.788 212 E N -0.675 119.517 120.200 -0.014 0.000 2.216 212 E HA 0.174 4.524 4.350 -0.001 0.000 0.260 212 E C 0.223 176.813 176.600 -0.017 0.000 0.880 212 E CA -0.663 55.730 56.400 -0.013 0.000 0.765 212 E CB 2.149 31.848 29.700 -0.002 0.000 1.174 212 E HN -0.157 nan 8.360 nan 0.000 0.417 213 L N 3.799 125.006 121.223 -0.027 0.000 2.005 213 L HA -0.036 4.303 4.340 -0.001 0.000 0.207 213 L C 1.968 178.836 176.870 -0.004 0.000 1.072 213 L CA 2.620 57.442 54.840 -0.029 0.000 0.744 213 L CB -0.885 41.148 42.059 -0.044 0.000 0.895 213 L HN 0.793 nan 8.230 nan 0.000 0.433 214 G N 0.458 109.258 108.800 -0.001 0.000 2.672 214 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.218 214 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.218 214 G C -0.588 174.330 174.900 0.031 0.000 1.238 214 G CA 1.240 46.347 45.100 0.011 0.000 0.791 214 G HN 0.449 nan 8.290 nan 0.000 0.606 215 P HA -0.087 nan 4.420 nan 0.000 0.216 215 P C 2.095 179.460 177.300 0.107 0.000 1.150 215 P CA 2.212 65.348 63.100 0.061 0.000 0.837 215 P CB -0.313 31.409 31.700 0.037 0.000 0.786 216 A N 0.345 123.221 122.820 0.094 0.000 1.865 216 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 216 A C 2.486 180.168 177.584 0.163 0.000 1.191 216 A CA 1.687 53.816 52.037 0.154 0.000 0.623 216 A CB -1.673 17.387 19.000 0.100 0.000 0.826 216 A HN 0.109 nan 8.150 nan 0.000 0.444 217 L N -0.772 120.500 121.223 0.081 0.000 1.970 217 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 217 L C 2.905 179.795 176.870 0.033 0.000 1.071 217 L CA 2.089 56.954 54.840 0.040 0.000 0.751 217 L CB -1.064 41.005 42.059 0.015 0.000 0.889 217 L HN 0.421 nan 8.230 nan 0.000 0.432 218 T N -1.306 113.282 114.554 0.056 0.000 2.684 218 T HA -0.288 4.062 4.350 -0.001 0.000 0.267 218 T C 1.599 176.350 174.700 0.085 0.000 1.036 218 T CA 1.811 63.944 62.100 0.055 0.000 1.148 218 T CB -0.501 68.406 68.868 0.065 0.000 0.863 218 T HN 0.331 nan 8.240 nan 0.000 0.436 219 Y N 2.188 122.504 120.300 0.027 0.000 2.070 219 Y HA -0.192 4.357 4.550 -0.001 0.000 0.280 219 Y C 2.339 178.252 175.900 0.023 0.000 1.148 219 Y CA 1.028 59.173 58.100 0.076 0.000 1.125 219 Y CB -0.842 37.688 38.460 0.117 0.000 0.975 219 Y HN -0.002 nan 8.280 nan 0.000 0.492 220 V N 0.776 120.546 119.914 -0.240 0.000 2.295 220 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 220 V C 2.744 178.384 176.094 -0.756 0.000 1.049 220 V CA 1.943 63.813 62.300 -0.718 0.000 1.024 220 V CB -1.787 29.849 31.823 -0.311 0.000 0.648 220 V HN 0.579 nan 8.190 nan 0.000 0.447 221 A N 0.697 123.310 122.820 -0.344 0.000 1.933 221 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 221 A C 2.428 179.866 177.584 -0.243 0.000 1.175 221 A CA 1.959 53.851 52.037 -0.242 0.000 0.628 221 A CB -1.281 17.664 19.000 -0.091 0.000 0.814 221 A HN 0.540 nan 8.150 nan 0.000 0.444 222 G N -0.195 108.489 108.800 -0.193 0.000 2.440 222 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 222 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 222 G C 1.309 176.153 174.900 -0.093 0.000 1.154 222 G CA 1.411 46.450 45.100 -0.101 0.000 0.767 222 G HN 0.882 nan 8.290 nan 0.000 0.552 223 F N 1.187 120.995 119.950 -0.237 0.000 2.698 223 F HA 0.236 4.763 4.527 -0.001 0.000 0.295 223 F C 2.234 177.961 175.800 -0.122 0.000 1.124 223 F CA 1.228 59.109 58.000 -0.198 0.000 1.426 223 F CB -0.536 38.281 39.000 -0.305 0.000 1.120 223 F HN 0.101 nan 8.300 nan 0.000 0.583 224 T N -3.883 110.374 114.554 -0.496 0.000 3.046 224 T HA 0.452 4.802 4.350 -0.001 0.000 0.242 224 T C 1.876 176.298 174.700 -0.464 0.000 1.018 224 T CA 0.674 62.419 62.100 -0.592 0.000 1.131 224 T CB -0.289 67.742 68.868 -1.395 0.000 0.904 224 T HN 0.777 nan 8.240 nan 0.000 0.459 225 G N 1.085 109.716 108.800 -0.282 0.000 2.175 225 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.244 225 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.244 225 G C 0.075 175.016 174.900 0.070 0.000 0.982 225 G CA -0.317 44.723 45.100 -0.100 0.000 0.641 225 G HN 0.608 nan 8.290 nan 0.000 0.527 226 F N 3.292 123.120 119.950 -0.205 0.000 2.608 226 F HA 0.205 4.732 4.527 -0.001 0.000 0.380 226 F C 1.730 177.460 175.800 -0.117 0.000 1.083 226 F CA -0.345 57.546 58.000 -0.182 0.000 1.266 226 F CB 0.399 39.250 39.000 -0.247 0.000 1.076 226 F HN 0.343 nan 8.300 nan 0.000 0.574 227 H N 2.919 122.027 119.070 0.062 0.000 2.481 227 H HA 0.191 4.747 4.556 -0.001 0.000 0.339 227 H C -0.714 174.642 175.328 0.046 0.000 1.131 227 H CA -1.030 55.034 56.048 0.026 0.000 1.301 227 H CB 0.714 30.472 29.762 -0.007 0.000 1.476 227 H HN 0.586 nan 8.280 nan 0.000 0.529 228 Q N 2.213 122.069 119.800 0.093 0.000 2.276 228 Q HA 0.004 4.343 4.340 -0.001 0.000 0.267 228 Q C 0.363 176.451 176.000 0.147 0.000 1.135 228 Q CA -0.142 55.703 55.803 0.070 0.000 0.910 228 Q CB 0.079 28.853 28.738 0.060 0.000 1.271 228 Q HN 0.698 nan 8.270 nan 0.000 0.417 229 F N 3.083 122.986 119.950 -0.078 0.000 2.558 229 F HA 0.070 4.597 4.527 -0.001 0.000 0.298 229 F C 1.147 176.954 175.800 0.012 0.000 1.119 229 F CA 0.272 58.271 58.000 -0.002 0.000 1.451 229 F CB 0.272 39.245 39.000 -0.045 0.000 1.091 229 F HN 0.769 nan 8.300 nan 0.000 0.563 242 S N 0.089 115.521 115.700 -0.447 0.000 2.368 242 S HA -0.137 4.333 4.470 -0.001 0.000 0.226 242 S C 1.521 175.942 174.600 -0.299 0.000 1.044 242 S CA 2.611 60.382 58.200 -0.716 0.000 1.062 242 S CB -0.525 62.279 63.200 -0.660 0.000 0.931 242 S HN 1.528 nan 8.310 nan 0.000 0.440 243 G N 1.043 109.717 108.800 -0.209 0.000 2.141 243 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.231 243 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.231 243 G C -0.148 174.638 174.900 -0.189 0.000 0.984 243 G CA 0.240 45.242 45.100 -0.164 0.000 0.660 243 G HN 1.432 nan 8.290 nan 0.000 0.525 244 L N -3.176 117.932 121.223 -0.192 0.000 2.415 244 L HA 0.871 5.211 4.340 -0.001 0.000 0.256 244 L C -1.426 175.355 176.870 -0.149 0.000 1.010 244 L CA -1.342 53.400 54.840 -0.164 0.000 0.826 244 L CB 1.979 43.951 42.059 -0.145 0.000 1.405 244 L HN -0.084 nan 8.230 nan 0.000 0.410 245 N N 1.248 119.874 118.700 -0.123 0.000 2.314 245 N HA 0.607 5.347 4.740 -0.001 0.000 0.294 245 N C -1.272 174.178 175.510 -0.100 0.000 1.029 245 N CA -0.452 52.537 53.050 -0.102 0.000 0.845 245 N CB 2.282 40.720 38.487 -0.082 0.000 1.321 245 N HN 0.725 nan 8.380 nan 0.000 0.481 246 S N 0.249 115.892 115.700 -0.095 0.000 2.632 246 S HA 0.929 5.399 4.470 -0.001 0.000 0.289 246 S C -0.873 173.671 174.600 -0.092 0.000 1.115 246 S CA -0.737 57.399 58.200 -0.108 0.000 0.889 246 S CB 2.257 65.382 63.200 -0.126 0.000 1.116 246 S HN 0.724 nan 8.310 nan 0.000 0.486 247 A N 0.933 123.687 122.820 -0.110 0.000 2.574 247 A HA 0.751 5.070 4.320 -0.001 0.000 0.297 247 A C -1.608 175.896 177.584 -0.133 0.000 1.062 247 A CA -0.585 51.401 52.037 -0.085 0.000 0.686 247 A CB 1.225 20.197 19.000 -0.048 0.000 1.285 247 A HN 0.587 nan 8.150 nan 0.000 0.403 248 V N 2.724 122.567 119.914 -0.117 0.000 2.384 248 V HA 0.435 4.554 4.120 -0.001 0.000 0.287 248 V C -0.218 175.820 176.094 -0.094 0.000 1.020 248 V CA -0.294 61.890 62.300 -0.193 0.000 0.850 248 V CB 1.156 32.765 31.823 -0.357 0.000 0.987 248 V HN 0.748 nan 8.190 nan 0.000 0.436 249 L N 4.252 125.414 121.223 -0.102 0.000 2.325 249 L HA 0.919 5.259 4.340 -0.001 0.000 0.279 249 L C 0.236 176.971 176.870 -0.225 0.000 1.054 249 L CA -0.252 54.539 54.840 -0.082 0.000 0.804 249 L CB 1.739 43.826 42.059 0.047 0.000 1.200 249 L HN 0.784 nan 8.230 nan 0.000 0.436 250 A N 1.300 123.829 122.820 -0.486 0.000 2.572 250 A HA 0.682 5.001 4.320 -0.001 0.000 0.295 250 A C -0.414 176.503 177.584 -1.112 0.000 1.072 250 A CA -0.529 51.057 52.037 -0.753 0.000 0.691 250 A CB 1.729 20.447 19.000 -0.470 0.000 1.291 250 A HN 0.677 nan 8.150 nan 0.000 0.404 251 S N 0.988 115.997 115.700 -1.151 0.000 2.617 251 S HA 0.174 4.644 4.470 -0.001 0.000 0.259 251 S C 0.834 175.323 174.600 -0.184 0.000 1.301 251 S CA -0.011 57.674 58.200 -0.858 0.000 0.984 251 S CB 0.202 62.995 63.200 -0.679 0.000 0.954 251 S HN 0.641 nan 8.310 nan 0.000 0.572 252 N N 2.202 120.853 118.700 -0.082 0.000 2.061 252 N HA -0.153 4.586 4.740 -0.001 0.000 0.193 252 N C 1.115 176.608 175.510 -0.028 0.000 1.030 252 N CA 1.918 54.957 53.050 -0.018 0.000 0.856 252 N CB -0.757 37.695 38.487 -0.058 0.000 1.023 252 N HN 0.912 nan 8.380 nan 0.000 0.424 253 D N -0.192 120.163 120.400 -0.075 0.000 2.340 253 D HA -0.013 4.626 4.640 -0.001 0.000 0.220 253 D C -0.331 175.933 176.300 -0.060 0.000 1.039 253 D CA 0.072 54.015 54.000 -0.094 0.000 0.866 253 D CB -0.461 40.251 40.800 -0.148 0.000 0.913 253 D HN 0.268 nan 8.370 nan 0.000 0.523 254 E N -1.070 119.109 120.200 -0.036 0.000 2.513 254 E HA -0.196 4.153 4.350 -0.001 0.000 0.257 254 E C 0.374 176.936 176.600 -0.063 0.000 1.098 254 E CA 0.328 56.722 56.400 -0.010 0.000 0.752 254 E CB -0.912 28.902 29.700 0.189 0.000 1.324 254 E HN 0.337 nan 8.360 nan 0.000 0.403 255 M N -0.587 118.928 119.600 -0.141 0.000 2.461 255 M HA 0.095 4.575 4.480 -0.001 0.000 0.255 255 M C 0.458 176.637 176.300 -0.202 0.000 1.137 255 M CA 0.579 55.810 55.300 -0.114 0.000 1.086 255 M CB 0.891 33.429 32.600 -0.103 0.000 1.356 255 M HN -0.067 nan 8.290 nan 0.000 0.487 256 V N 2.988 122.671 119.914 -0.385 0.000 2.311 256 V HA 0.366 4.486 4.120 -0.001 0.000 0.275 256 V C -0.227 175.625 176.094 -0.404 0.000 1.022 256 V CA -0.373 61.528 62.300 -0.664 0.000 0.830 256 V CB 1.363 32.744 31.823 -0.738 0.000 1.012 256 V HN 0.173 nan 8.190 nan 0.000 0.452 257 L N 6.577 127.761 121.223 -0.066 0.000 2.305 257 L HA 0.579 4.918 4.340 -0.001 0.000 0.284 257 L C -0.441 176.510 176.870 0.135 0.000 1.013 257 L CA -0.379 54.453 54.840 -0.013 0.000 0.819 257 L CB 1.577 43.653 42.059 0.028 0.000 1.227 257 L HN 0.465 nan 8.230 nan 0.000 0.417 258 L N 5.404 126.646 121.223 0.033 0.000 2.556 258 L HA 0.376 4.715 4.340 -0.001 0.000 0.243 258 L C -2.340 174.531 176.870 0.002 0.000 1.331 258 L CA -1.573 53.328 54.840 0.102 0.000 0.927 258 L CB 1.022 43.194 42.059 0.189 0.000 1.219 258 L HN 0.337 nan 8.230 nan 0.000 0.490 259 P HA 0.356 nan 4.420 nan 0.000 0.274 259 P C -0.551 176.661 177.300 -0.146 0.000 1.231 259 P CA -0.031 62.949 63.100 -0.201 0.000 0.790 259 P CB 1.319 32.785 31.700 -0.389 0.000 0.951 260 I N 1.893 122.369 120.570 -0.157 0.000 2.569 260 I HA 0.340 4.510 4.170 -0.001 0.000 0.290 260 I C -0.348 175.663 176.117 -0.176 0.000 1.088 260 I CA -0.717 60.474 61.300 -0.182 0.000 1.047 260 I CB 2.060 39.990 38.000 -0.117 0.000 1.237 260 I HN 0.185 nan 8.210 nan 0.000 0.421 261 N N 5.052 123.628 118.700 -0.206 0.000 2.384 261 N HA 0.516 5.255 4.740 -0.001 0.000 0.301 261 N C -1.136 174.283 175.510 -0.152 0.000 1.133 261 N CA -0.691 52.260 53.050 -0.165 0.000 0.853 261 N CB 2.137 40.527 38.487 -0.161 0.000 1.241 261 N HN 0.657 nan 8.380 nan 0.000 0.502 262 E N -0.115 120.014 120.200 -0.118 0.000 2.369 262 E HA 0.613 4.963 4.350 -0.001 0.000 0.270 262 E C -2.946 173.593 176.600 -0.102 0.000 0.909 262 E CA -1.808 54.534 56.400 -0.096 0.000 0.775 262 E CB 2.634 32.290 29.700 -0.074 0.000 1.270 262 E HN 0.165 nan 8.360 nan 0.000 0.445 263 P HA 0.243 nan 4.420 nan 0.000 0.282 263 P C -0.682 176.491 177.300 -0.212 0.000 1.287 263 P CA -0.631 62.373 63.100 -0.160 0.000 0.792 263 P CB 0.915 32.555 31.700 -0.101 0.000 1.163 264 V N 0.004 119.684 119.914 -0.389 0.000 2.697 264 V HA 0.352 4.471 4.120 -0.001 0.000 0.300 264 V C -0.635 175.152 176.094 -0.512 0.000 1.115 264 V CA -0.325 61.787 62.300 -0.314 0.000 0.912 264 V CB 1.238 32.939 31.823 -0.203 0.000 1.024 264 V HN 0.676 nan 8.190 nan 0.000 0.431 265 H N 1.325 120.393 119.070 -0.003 0.000 2.931 265 H HA 0.903 5.459 4.556 -0.001 0.000 0.331 265 H C 0.762 176.093 175.328 0.004 0.000 1.273 265 H CA 0.433 56.483 56.048 0.003 0.000 1.171 265 H CB 2.298 32.066 29.762 0.009 0.000 1.898 265 H HN 0.937 nan 8.280 nan 0.000 0.562 266 G N -0.339 108.595 108.800 0.224 0.000 3.626 266 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.241 266 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.241 266 G C 0.275 175.229 174.900 0.089 0.000 1.824 266 G CA 0.012 45.175 45.100 0.106 0.000 1.511 266 G HN 0.897 nan 8.290 nan 0.000 0.600 271 S N 0.894 117.001 115.700 0.679 0.000 2.549 271 S HA 0.006 4.475 4.470 -0.001 0.000 0.279 271 S C 0.847 175.606 174.600 0.265 0.000 1.321 271 S CA 0.410 58.786 58.200 0.294 0.000 1.054 271 S CB 1.432 64.497 63.200 -0.225 0.000 0.899 271 S HN 0.639 nan 8.310 nan 0.000 0.497 272 Q N 4.153 124.031 119.800 0.129 0.000 2.291 272 Q HA -0.035 4.305 4.340 -0.001 0.000 0.205 272 Q C 1.326 177.410 176.000 0.140 0.000 0.970 272 Q CA 1.638 57.511 55.803 0.118 0.000 0.876 272 Q CB -0.227 28.552 28.738 0.068 0.000 0.935 272 Q HN 0.842 nan 8.270 nan 0.000 0.455 273 I N 0.298 120.928 120.570 0.099 0.000 2.353 273 I HA -0.157 4.012 4.170 -0.001 0.000 0.248 273 I C 2.159 178.384 176.117 0.180 0.000 1.119 273 I CA 1.042 62.398 61.300 0.093 0.000 1.417 273 I CB -1.326 36.669 38.000 -0.008 0.000 1.078 273 I HN 0.360 nan 8.210 nan 0.000 0.421 274 Q N 1.364 121.299 119.800 0.225 0.000 2.084 274 Q HA -0.144 4.196 4.340 -0.001 0.000 0.202 274 Q C 2.199 178.326 176.000 0.211 0.000 0.978 274 Q CA 2.367 58.327 55.803 0.261 0.000 0.844 274 Q CB -0.580 28.390 28.738 0.387 0.000 0.898 274 Q HN 0.442 nan 8.270 nan 0.000 0.426 275 T N -0.045 114.637 114.554 0.214 0.000 2.720 275 T HA -0.216 4.134 4.350 -0.001 0.000 0.268 275 T C 1.378 176.244 174.700 0.277 0.000 1.037 275 T CA 1.563 63.798 62.100 0.225 0.000 1.144 275 T CB -0.677 68.294 68.868 0.172 0.000 0.864 275 T HN 0.474 nan 8.240 nan 0.000 0.444 276 Y N 1.809 122.189 120.300 0.133 0.000 2.097 276 Y HA -0.162 4.387 4.550 -0.001 0.000 0.282 276 Y C 2.067 178.037 175.900 0.116 0.000 1.152 276 Y CA 1.310 59.484 58.100 0.124 0.000 1.136 276 Y CB -0.482 38.037 38.460 0.098 0.000 0.975 276 Y HN 0.112 nan 8.280 nan 0.000 0.498 277 L N -0.000 121.407 121.223 0.308 0.000 2.127 277 L HA -0.229 4.111 4.340 -0.001 0.000 0.211 277 L C 2.304 179.207 176.870 0.055 0.000 1.089 277 L CA 1.765 56.713 54.840 0.181 0.000 0.757 277 L CB -0.539 41.621 42.059 0.168 0.000 0.899 277 L HN 0.322 nan 8.230 nan 0.000 0.434 278 E N -1.052 119.181 120.200 0.055 0.000 2.046 278 E HA -0.162 4.187 4.350 -0.001 0.000 0.190 278 E C 2.170 178.698 176.600 -0.120 0.000 0.982 278 E CA 0.819 57.197 56.400 -0.036 0.000 0.800 278 E CB -0.014 29.658 29.700 -0.047 0.000 0.756 278 E HN 0.540 nan 8.360 nan 0.000 0.449 279 H N -0.157 118.866 119.070 -0.080 0.000 2.462 279 H HA 0.015 4.571 4.556 -0.001 0.000 0.292 279 H C 1.723 176.947 175.328 -0.173 0.000 1.049 279 H CA 0.661 56.644 56.048 -0.108 0.000 1.334 279 H CB 0.194 29.903 29.762 -0.088 0.000 1.404 279 H HN 0.169 nan 8.280 nan 0.000 0.544 280 N N 0.904 119.502 118.700 -0.169 0.000 2.422 280 N HA -0.094 4.645 4.740 -0.001 0.000 0.181 280 N C -0.479 174.998 175.510 -0.054 0.000 1.080 280 N CA 0.175 53.080 53.050 -0.242 0.000 0.893 280 N CB 0.497 38.600 38.487 -0.640 0.000 0.973 280 N HN 0.296 nan 8.380 nan 0.000 0.456 281 E N -0.265 119.903 120.200 -0.053 0.000 2.287 281 E HA -0.169 4.180 4.350 -0.001 0.000 0.229 281 E C 0.174 176.811 176.600 0.061 0.000 1.194 281 E CA 0.191 56.580 56.400 -0.018 0.000 0.704 281 E CB -1.602 28.051 29.700 -0.078 0.000 1.216 281 E HN 0.681 nan 8.360 nan 0.000 0.381 282 G N -0.865 107.964 108.800 0.049 0.000 2.549 282 G HA2 0.129 4.089 3.960 -0.001 0.000 0.404 282 G HA3 0.129 4.089 3.960 -0.001 0.000 0.404 282 G C 0.010 174.974 174.900 0.108 0.000 1.292 282 G CA -0.213 44.934 45.100 0.079 0.000 0.935 282 G HN 0.953 nan 8.290 nan 0.000 0.512 283 A N -0.607 122.270 122.820 0.095 0.000 2.507 283 A HA 0.790 5.110 4.320 -0.001 0.000 0.235 283 A C 1.267 178.910 177.584 0.097 0.000 1.070 283 A CA 1.846 53.939 52.037 0.094 0.000 0.768 283 A CB 0.213 19.238 19.000 0.041 0.000 1.011 283 A HN 2.726 nan 8.150 nan 0.000 0.502 284 G N -0.860 108.025 108.800 0.142 0.000 2.427 284 G HA2 0.459 4.418 3.960 -0.001 0.000 0.306 284 G HA3 0.459 4.418 3.960 -0.001 0.000 0.306 284 G C -1.399 173.561 174.900 0.100 0.000 1.280 284 G CA -0.710 44.490 45.100 0.167 0.000 0.837 284 G HN 1.034 nan 8.290 nan 0.000 0.482 285 L N 1.098 122.422 121.223 0.167 0.000 2.290 285 L HA 0.393 4.733 4.340 -0.001 0.000 0.284 285 L C 1.706 178.541 176.870 -0.057 0.000 1.078 285 L CA -0.434 54.428 54.840 0.038 0.000 0.815 285 L CB 1.480 43.559 42.059 0.034 0.000 1.162 285 L HN 0.834 nan 8.230 nan 0.000 0.435 286 Q N 4.321 123.940 119.800 -0.301 0.000 2.036 286 Q HA 0.001 4.341 4.340 -0.001 0.000 0.195 286 Q C -0.378 175.380 176.000 -0.403 0.000 0.971 286 Q CA 0.758 56.317 55.803 -0.406 0.000 0.826 286 Q CB 0.275 28.739 28.738 -0.456 0.000 0.896 286 Q HN 0.778 nan 8.270 nan 0.000 0.449 287 H N -2.001 116.765 119.070 -0.507 0.000 2.996 287 H HA 0.405 4.960 4.556 -0.001 0.000 0.368 287 H C -1.561 173.613 175.328 -0.256 0.000 1.185 287 H CA -0.910 54.798 56.048 -0.567 0.000 1.160 287 H CB 0.583 29.738 29.762 -1.012 0.000 1.820 287 H HN 0.115 nan 8.280 nan 0.000 0.547 288 L N 2.451 123.633 121.223 -0.069 0.000 2.276 288 L HA 0.516 4.856 4.340 -0.001 0.000 0.286 288 L C 0.361 177.211 176.870 -0.033 0.000 1.024 288 L CA -0.902 53.896 54.840 -0.070 0.000 0.826 288 L CB 1.393 43.503 42.059 0.084 0.000 1.211 288 L HN 0.740 nan 8.230 nan 0.000 0.422 289 A N 6.207 128.885 122.820 -0.236 0.000 2.310 289 A HA 0.613 4.933 4.320 -0.001 0.000 0.300 289 A C -0.277 177.201 177.584 -0.177 0.000 1.269 289 A CA -0.292 51.570 52.037 -0.292 0.000 0.909 289 A CB -0.072 18.314 19.000 -1.023 0.000 1.144 289 A HN 0.689 nan 8.150 nan 0.000 0.540 290 L N 4.164 125.339 121.223 -0.081 0.000 2.280 290 L HA 0.392 4.732 4.340 -0.001 0.000 0.287 290 L C 0.412 177.251 176.870 -0.051 0.000 1.023 290 L CA -0.531 54.270 54.840 -0.066 0.000 0.819 290 L CB 1.378 43.399 42.059 -0.064 0.000 1.212 290 L HN 0.711 nan 8.230 nan 0.000 0.420 291 M N 3.161 122.740 119.600 -0.034 0.000 2.217 291 M HA 0.216 4.695 4.480 -0.001 0.000 0.354 291 M C -0.326 175.960 176.300 -0.025 0.000 1.225 291 M CA 0.688 55.977 55.300 -0.017 0.000 1.137 291 M CB 1.359 33.965 32.600 0.011 0.000 1.576 291 M HN 0.634 nan 8.290 nan 0.000 0.461 292 S N 2.564 118.247 115.700 -0.028 0.000 2.532 292 S HA 0.331 4.800 4.470 -0.001 0.000 0.301 292 S C 0.679 175.270 174.600 -0.015 0.000 1.083 292 S CA -0.576 57.610 58.200 -0.023 0.000 1.025 292 S CB 1.145 64.325 63.200 -0.034 0.000 1.056 292 S HN 0.780 nan 8.310 nan 0.000 0.494 293 E N 1.713 121.914 120.200 0.001 0.000 2.427 293 E HA 0.072 4.422 4.350 -0.001 0.000 0.196 293 E C -0.302 176.307 176.600 0.015 0.000 1.028 293 E CA 0.443 56.850 56.400 0.012 0.000 0.864 293 E CB 0.111 29.825 29.700 0.022 0.000 0.813 293 E HN 0.414 nan 8.360 nan 0.000 0.514 294 D N 0.016 120.420 120.400 0.007 0.000 2.318 294 D HA 0.070 4.709 4.640 -0.001 0.000 0.233 294 D C -0.058 176.218 176.300 -0.040 0.000 1.348 294 D CA -0.512 53.497 54.000 0.014 0.000 0.983 294 D CB 0.581 41.423 40.800 0.069 0.000 1.416 294 D HN 0.125 nan 8.370 nan 0.000 0.558 295 I N 2.581 123.045 120.570 -0.176 0.000 2.361 295 I HA -0.156 4.013 4.170 -0.001 0.000 0.251 295 I C 1.243 177.196 176.117 -0.273 0.000 1.133 295 I CA 1.106 62.244 61.300 -0.269 0.000 1.413 295 I CB 0.058 37.819 38.000 -0.397 0.000 1.073 295 I HN 0.313 nan 8.210 nan 0.000 0.424 296 F N 0.588 120.523 119.950 -0.026 0.000 2.134 296 F HA -0.205 4.322 4.527 -0.001 0.000 0.299 296 F C 2.721 178.493 175.800 -0.047 0.000 1.097 296 F CA 1.600 59.574 58.000 -0.043 0.000 1.264 296 F CB -0.563 38.417 39.000 -0.033 0.000 1.001 296 F HN -0.018 nan 8.300 nan 0.000 0.479 297 R N 0.275 120.860 120.500 0.143 0.000 2.075 297 R HA -0.117 4.222 4.340 -0.001 0.000 0.232 297 R C 2.007 178.325 176.300 0.030 0.000 1.126 297 R CA 1.876 58.017 56.100 0.070 0.000 0.963 297 R CB -0.634 29.709 30.300 0.072 0.000 0.858 297 R HN 0.121 nan 8.270 nan 0.000 0.435 298 T N 1.715 116.292 114.554 0.037 0.000 2.684 298 T HA -0.112 4.237 4.350 -0.001 0.000 0.267 298 T C 1.615 176.326 174.700 0.017 0.000 1.036 298 T CA 1.159 63.294 62.100 0.058 0.000 1.148 298 T CB -0.069 68.824 68.868 0.042 0.000 0.863 298 T HN 0.113 nan 8.240 nan 0.000 0.436 299 L N 0.667 121.861 121.223 -0.049 0.000 2.156 299 L HA 0.075 4.415 4.340 -0.001 0.000 0.208 299 L C 2.590 179.382 176.870 -0.130 0.000 1.095 299 L CA 1.355 56.111 54.840 -0.141 0.000 0.770 299 L CB -0.858 41.062 42.059 -0.231 0.000 0.914 299 L HN 0.280 nan 8.230 nan 0.000 0.439 300 R N -0.168 120.286 120.500 -0.077 0.000 2.070 300 R HA -0.164 4.175 4.340 -0.001 0.000 0.233 300 R C 2.047 178.260 176.300 -0.145 0.000 1.137 300 R CA 1.157 57.203 56.100 -0.089 0.000 0.945 300 R CB -0.125 30.141 30.300 -0.057 0.000 0.845 300 R HN 0.344 nan 8.270 nan 0.000 0.430 301 E N 0.604 120.680 120.200 -0.207 0.000 2.077 301 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 301 E C 2.039 178.374 176.600 -0.441 0.000 0.989 301 E CA 1.338 57.465 56.400 -0.456 0.000 0.800 301 E CB -0.168 29.086 29.700 -0.743 0.000 0.746 301 E HN 0.397 nan 8.360 nan 0.000 0.452 302 M N -0.036 119.475 119.600 -0.148 0.000 2.175 302 M HA -0.086 4.394 4.480 -0.001 0.000 0.264 302 M C 2.290 178.669 176.300 0.132 0.000 1.063 302 M CA 1.175 56.526 55.300 0.084 0.000 1.119 302 M CB -0.145 32.680 32.600 0.376 0.000 1.377 302 M HN -0.044 nan 8.290 nan 0.000 0.415 303 R N 0.101 120.636 120.500 0.058 0.000 2.148 303 R HA -0.047 4.293 4.340 -0.001 0.000 0.223 303 R C 2.017 178.314 176.300 -0.005 0.000 1.088 303 R CA 0.816 56.948 56.100 0.054 0.000 0.985 303 R CB -0.077 30.177 30.300 -0.076 0.000 0.880 303 R HN 0.353 nan 8.270 nan 0.000 0.451 304 K N 0.275 120.627 120.400 -0.080 0.000 2.209 304 K HA -0.126 4.193 4.320 -0.001 0.000 0.204 304 K C 1.554 178.111 176.600 -0.071 0.000 1.048 304 K CA 1.173 57.409 56.287 -0.086 0.000 0.940 304 K CB 0.088 32.503 32.500 -0.143 0.000 0.729 304 K HN 0.133 nan 8.250 nan 0.000 0.451 305 R N -0.539 119.883 120.500 -0.130 0.000 2.397 305 R HA 0.164 4.503 4.340 -0.001 0.000 0.241 305 R C 1.830 178.100 176.300 -0.050 0.000 0.914 305 R CA -0.115 55.893 56.100 -0.154 0.000 1.071 305 R CB 0.548 30.499 30.300 -0.583 0.000 1.116 305 R HN -0.015 nan 8.270 nan 0.000 0.524 306 S N 0.808 116.517 115.700 0.015 0.000 2.359 306 S HA -0.159 4.310 4.470 -0.001 0.000 0.223 306 S C 1.660 176.272 174.600 0.020 0.000 1.039 306 S CA 1.822 60.045 58.200 0.039 0.000 1.042 306 S CB -0.089 63.178 63.200 0.111 0.000 0.915 306 S HN 0.245 nan 8.310 nan 0.000 0.439 307 S N 1.207 116.930 115.700 0.040 0.000 2.603 307 S HA 0.207 4.677 4.470 -0.001 0.000 0.220 307 S C 1.021 175.655 174.600 0.056 0.000 0.967 307 S CA 0.186 58.409 58.200 0.038 0.000 0.920 307 S CB -0.326 62.896 63.200 0.037 0.000 0.773 307 S HN 0.678 nan 8.310 nan 0.000 0.529 308 I N -2.783 117.850 120.570 0.104 0.000 3.158 308 I HA 0.670 4.840 4.170 -0.001 0.000 0.344 308 I C 0.785 177.086 176.117 0.306 0.000 1.459 308 I CA -0.408 60.998 61.300 0.177 0.000 0.956 308 I CB 0.042 38.181 38.000 0.232 0.000 1.793 308 I HN 0.143 nan 8.210 nan 0.000 0.522 309 G N 0.616 109.515 108.800 0.164 0.000 2.201 309 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.212 309 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.212 309 G C 0.470 175.396 174.900 0.043 0.000 0.994 309 G CA -0.288 44.908 45.100 0.160 0.000 0.644 309 G HN 0.838 nan 8.290 nan 0.000 0.508 310 G N -0.586 108.173 108.800 -0.069 0.000 2.630 310 G HA2 0.638 4.598 3.960 -0.001 0.000 0.223 310 G HA3 0.638 4.598 3.960 -0.001 0.000 0.223 310 G C -0.481 174.130 174.900 -0.482 0.000 1.434 310 G CA -0.943 43.970 45.100 -0.312 0.000 1.057 310 G HN 0.319 nan 8.290 nan 0.000 0.570 311 F N 0.226 120.074 119.950 -0.170 0.000 2.469 311 F HA 0.356 4.883 4.527 -0.001 0.000 0.332 311 F C -0.165 175.457 175.800 -0.297 0.000 1.103 311 F CA -0.785 57.059 58.000 -0.260 0.000 0.979 311 F CB 1.953 40.722 39.000 -0.384 0.000 1.137 311 F HN 0.133 nan 8.300 nan 0.000 0.463 312 D N 2.015 122.377 120.400 -0.063 0.000 2.313 312 D HA 0.298 4.937 4.640 -0.001 0.000 0.247 312 D C -0.696 175.486 176.300 -0.198 0.000 1.094 312 D CA 0.165 54.140 54.000 -0.043 0.000 0.925 312 D CB 0.902 41.712 40.800 0.017 0.000 1.188 312 D HN 0.142 nan 8.370 nan 0.000 0.430 313 F N 0.539 120.527 119.950 0.063 0.000 2.492 313 F HA 0.301 4.827 4.527 -0.001 0.000 0.327 313 F C 0.807 176.631 175.800 0.039 0.000 1.079 313 F CA -1.182 56.851 58.000 0.056 0.000 0.967 313 F CB 0.933 39.956 39.000 0.038 0.000 1.169 313 F HN -0.077 nan 8.300 nan 0.000 0.472 314 M N 2.366 122.100 119.600 0.224 0.000 2.252 314 M HA 0.100 4.579 4.480 -0.001 0.000 0.321 314 M C -2.170 174.200 176.300 0.116 0.000 1.070 314 M CA -1.767 53.604 55.300 0.118 0.000 1.143 314 M CB -0.751 31.900 32.600 0.085 0.000 1.498 314 M HN 0.203 nan 8.290 nan 0.000 0.445 315 P HA 0.062 nan 4.420 nan 0.000 0.264 315 P C -0.578 176.743 177.300 0.034 0.000 1.193 315 P CA 0.137 63.262 63.100 0.042 0.000 0.763 315 P CB 0.220 31.929 31.700 0.015 0.000 0.810 316 S N 4.771 120.492 115.700 0.035 0.000 2.562 316 S HA 0.236 4.706 4.470 -0.001 0.000 0.281 316 S C -1.682 172.934 174.600 0.027 0.000 1.333 316 S CA -0.662 57.562 58.200 0.040 0.000 1.052 316 S CB -0.613 62.613 63.200 0.044 0.000 0.884 316 S HN 0.455 nan 8.310 nan 0.000 0.506 317 P HA 0.332 nan 4.420 nan 0.000 0.274 317 P C -2.787 174.577 177.300 0.105 0.000 1.246 317 P CA -1.554 61.496 63.100 -0.083 0.000 0.795 317 P CB -0.775 30.631 31.700 -0.490 0.000 1.006 318 P HA 0.076 nan 4.420 nan 0.000 0.269 318 P C -1.732 175.744 177.300 0.293 0.000 1.215 318 P CA -0.927 62.258 63.100 0.142 0.000 0.780 318 P CB -0.921 30.828 31.700 0.082 0.000 0.898 319 P HA -0.359 nan 4.420 nan 0.000 0.216 319 P C 1.445 178.866 177.300 0.202 0.000 1.062 319 P CA 2.879 66.090 63.100 0.186 0.000 0.995 319 P CB -1.267 30.490 31.700 0.095 0.000 0.762 320 T N -3.552 111.078 114.554 0.127 0.000 2.665 320 T HA -0.304 4.046 4.350 -0.001 0.000 0.268 320 T C 1.774 176.522 174.700 0.080 0.000 1.035 320 T CA 1.867 64.019 62.100 0.087 0.000 1.151 320 T CB -1.763 67.135 68.868 0.051 0.000 0.862 320 T HN 0.158 nan 8.240 nan 0.000 0.438 321 Y N 1.570 121.830 120.300 -0.067 0.000 2.151 321 Y HA -0.255 4.294 4.550 -0.001 0.000 0.284 321 Y C 2.180 177.897 175.900 -0.304 0.000 1.166 321 Y CA 1.350 59.322 58.100 -0.212 0.000 1.163 321 Y CB -0.616 37.648 38.460 -0.326 0.000 0.974 321 Y HN 0.247 nan 8.280 nan 0.000 0.511 322 Y N 0.420 120.866 120.300 0.244 0.000 2.421 322 Y HA -0.219 4.331 4.550 -0.001 0.000 0.292 322 Y C 2.412 178.324 175.900 0.021 0.000 1.136 322 Y CA 1.450 59.627 58.100 0.129 0.000 1.255 322 Y CB -0.366 38.179 38.460 0.141 0.000 0.991 322 Y HN 0.273 nan 8.280 nan 0.000 0.552 323 Q N -0.173 119.685 119.800 0.097 0.000 2.230 323 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 323 Q C 1.318 177.299 176.000 -0.031 0.000 0.963 323 Q CA 1.364 57.188 55.803 0.036 0.000 0.866 323 Q CB -0.174 28.587 28.738 0.038 0.000 0.931 323 Q HN 0.657 nan 8.270 nan 0.000 0.452 324 N N -0.397 118.235 118.700 -0.113 0.000 2.373 324 N HA 0.082 4.822 4.740 -0.001 0.000 0.181 324 N C 1.409 176.810 175.510 -0.182 0.000 1.082 324 N CA -0.030 52.932 53.050 -0.146 0.000 0.885 324 N CB 0.332 38.709 38.487 -0.184 0.000 0.977 324 N HN 0.124 nan 8.380 nan 0.000 0.462 325 L N 1.345 122.432 121.223 -0.227 0.000 2.109 325 L HA -0.082 4.257 4.340 -0.001 0.000 0.207 325 L C 2.277 179.111 176.870 -0.060 0.000 1.086 325 L CA 1.021 55.758 54.840 -0.171 0.000 0.760 325 L CB -0.193 41.781 42.059 -0.142 0.000 0.910 325 L HN 0.117 nan 8.230 nan 0.000 0.437 326 K N 0.746 121.129 120.400 -0.028 0.000 2.089 326 K HA -0.261 4.059 4.320 -0.001 0.000 0.210 326 K C 2.038 178.628 176.600 -0.017 0.000 1.048 326 K CA 2.261 58.544 56.287 -0.006 0.000 0.926 326 K CB -0.007 32.496 32.500 0.005 0.000 0.714 326 K HN 0.380 nan 8.250 nan 0.000 0.448 327 K N 0.296 120.677 120.400 -0.032 0.000 2.186 327 K HA -0.096 4.224 4.320 -0.001 0.000 0.202 327 K C 1.920 178.503 176.600 -0.028 0.000 1.052 327 K CA 1.001 57.272 56.287 -0.026 0.000 0.965 327 K CB -0.108 32.375 32.500 -0.028 0.000 0.746 327 K HN 0.156 nan 8.250 nan 0.000 0.457 328 R N 0.888 121.363 120.500 -0.043 0.000 2.175 328 R HA 0.115 4.454 4.340 -0.001 0.000 0.202 328 R C 1.450 177.736 176.300 -0.023 0.000 1.018 328 R CA 0.779 56.857 56.100 -0.037 0.000 1.029 328 R CB -0.254 30.013 30.300 -0.055 0.000 0.959 328 R HN 0.135 nan 8.270 nan 0.000 0.480 329 V N -0.727 119.175 119.914 -0.019 0.000 3.608 329 V HA 0.295 4.414 4.120 -0.001 0.000 0.269 329 V C 2.149 178.250 176.094 0.011 0.000 1.245 329 V CA 0.320 62.622 62.300 0.004 0.000 1.138 329 V CB -0.287 31.548 31.823 0.021 0.000 0.841 329 V HN 0.381 nan 8.190 nan 0.000 0.451 330 G N 3.038 111.842 108.800 0.007 0.000 2.878 330 G HA2 -0.482 3.477 3.960 -0.001 0.000 0.267 330 G HA3 -0.482 3.477 3.960 -0.001 0.000 0.267 330 G C 1.170 176.078 174.900 0.013 0.000 1.104 330 G CA 2.005 47.110 45.100 0.009 0.000 0.746 330 G HN 0.710 nan 8.290 nan 0.000 0.696 331 D N 0.371 120.777 120.400 0.010 0.000 2.218 331 D HA -0.081 4.558 4.640 -0.001 0.000 0.204 331 D C 2.567 178.877 176.300 0.017 0.000 0.976 331 D CA 1.479 55.486 54.000 0.011 0.000 0.853 331 D CB -0.655 40.149 40.800 0.008 0.000 0.939 331 D HN 0.358 nan 8.370 nan 0.000 0.481 332 V N 0.423 120.350 119.914 0.022 0.000 2.346 332 V HA -0.030 4.089 4.120 -0.001 0.000 0.244 332 V C 1.436 177.555 176.094 0.041 0.000 1.037 332 V CA 0.844 63.162 62.300 0.030 0.000 1.029 332 V CB -0.222 31.621 31.823 0.034 0.000 0.663 332 V HN 0.127 nan 8.190 nan 0.000 0.454 333 L N 0.947 122.197 121.223 0.044 0.000 2.376 333 L HA 0.418 4.758 4.340 -0.001 0.000 0.275 333 L C 0.282 177.175 176.870 0.038 0.000 0.987 333 L CA -0.354 54.519 54.840 0.056 0.000 0.828 333 L CB 1.974 44.086 42.059 0.088 0.000 1.249 333 L HN 0.237 nan 8.230 nan 0.000 0.409 334 S N -0.030 115.686 115.700 0.027 0.000 2.569 334 S HA 0.003 4.472 4.470 -0.001 0.000 0.274 334 S C 0.602 175.208 174.600 0.011 0.000 1.353 334 S CA -0.497 57.710 58.200 0.012 0.000 1.023 334 S CB 0.852 64.052 63.200 0.000 0.000 0.876 334 S HN 0.615 nan 8.310 nan 0.000 0.540 335 D N 1.196 121.599 120.400 0.005 0.000 2.190 335 D HA -0.088 4.551 4.640 -0.001 0.000 0.200 335 D C 1.258 177.552 176.300 -0.011 0.000 0.992 335 D CA 1.561 55.564 54.000 0.006 0.000 0.854 335 D CB -0.391 40.410 40.800 0.002 0.000 0.936 335 D HN 0.643 nan 8.370 nan 0.000 0.462 336 D N 0.327 120.709 120.400 -0.030 0.000 2.078 336 D HA -0.130 4.509 4.640 -0.001 0.000 0.193 336 D C 2.098 178.336 176.300 -0.104 0.000 0.990 336 D CA 0.953 54.915 54.000 -0.064 0.000 0.827 336 D CB -0.278 40.480 40.800 -0.069 0.000 0.975 336 D HN 0.263 nan 8.370 nan 0.000 0.451 337 Q N -0.168 119.575 119.800 -0.094 0.000 2.181 337 Q HA -0.114 4.226 4.340 -0.001 0.000 0.205 337 Q C 2.310 178.298 176.000 -0.019 0.000 0.980 337 Q CA 0.772 56.496 55.803 -0.131 0.000 0.862 337 Q CB -0.014 28.720 28.738 -0.006 0.000 0.905 337 Q HN 0.384 nan 8.270 nan 0.000 0.429 338 I N 0.842 121.440 120.570 0.046 0.000 2.072 338 I HA -0.321 3.848 4.170 -0.001 0.000 0.235 338 I C 2.076 178.248 176.117 0.092 0.000 1.058 338 I CA 1.366 62.736 61.300 0.118 0.000 1.320 338 I CB -0.343 37.721 38.000 0.107 0.000 1.047 338 I HN 0.106 nan 8.210 nan 0.000 0.397 339 K N 0.394 120.808 120.400 0.023 0.000 2.144 339 K HA -0.299 4.020 4.320 -0.001 0.000 0.209 339 K C 1.942 178.486 176.600 -0.094 0.000 1.047 339 K CA 1.883 58.150 56.287 -0.035 0.000 0.927 339 K CB -0.327 32.143 32.500 -0.049 0.000 0.716 339 K HN 0.395 nan 8.250 nan 0.000 0.454 340 E N 0.315 120.451 120.200 -0.106 0.000 2.482 340 E HA -0.117 4.233 4.350 -0.001 0.000 0.196 340 E C 1.450 178.082 176.600 0.053 0.000 1.047 340 E CA 0.413 56.730 56.400 -0.138 0.000 0.869 340 E CB 0.099 29.579 29.700 -0.368 0.000 0.836 340 E HN 0.371 nan 8.360 nan 0.000 0.520 341 C N 0.257 119.670 119.300 0.187 0.000 2.486 341 C HA -0.021 4.439 4.460 -0.001 0.000 0.279 341 C C 2.467 177.439 174.990 -0.030 0.000 1.302 341 C CA 0.477 59.666 59.018 0.286 0.000 1.720 341 C CB -0.726 27.270 27.740 0.426 0.000 2.030 341 C HN 0.560 nan 8.230 nan 0.000 0.490 342 E N 1.163 121.111 120.200 -0.420 0.000 2.153 342 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 342 E C 1.926 178.230 176.600 -0.492 0.000 0.988 342 E CA 1.085 56.812 56.400 -1.122 0.000 0.811 342 E CB -0.050 29.063 29.700 -0.979 0.000 0.746 342 E HN 0.644 nan 8.360 nan 0.000 0.466 343 E N -0.111 119.939 120.200 -0.250 0.000 2.106 343 E HA -0.128 4.221 4.350 -0.001 0.000 0.192 343 E C 1.758 178.285 176.600 -0.122 0.000 0.984 343 E CA 0.836 57.143 56.400 -0.155 0.000 0.806 343 E CB 0.134 29.769 29.700 -0.109 0.000 0.750 343 E HN 0.337 nan 8.360 nan 0.000 0.458 344 L N -0.861 120.309 121.223 -0.088 0.000 2.640 344 L HA 0.264 4.603 4.340 -0.001 0.000 0.230 344 L C 1.101 177.893 176.870 -0.129 0.000 1.123 344 L CA 0.127 54.907 54.840 -0.100 0.000 0.900 344 L CB 0.589 42.626 42.059 -0.036 0.000 1.146 344 L HN 0.212 nan 8.230 nan 0.000 0.484 345 G N 1.412 110.165 108.800 -0.078 0.000 2.176 345 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.252 345 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.252 345 G C 0.194 175.134 174.900 0.067 0.000 1.024 345 G CA -0.112 44.995 45.100 0.012 0.000 0.755 345 G HN 0.298 nan 8.290 nan 0.000 0.507 346 I N 0.203 120.834 120.570 0.100 0.000 2.529 346 I HA 0.370 4.539 4.170 -0.001 0.000 0.284 346 I C 0.757 176.989 176.117 0.192 0.000 1.082 346 I CA -0.599 60.748 61.300 0.078 0.000 1.406 346 I CB 0.782 38.797 38.000 0.024 0.000 1.405 346 I HN -0.016 nan 8.210 nan 0.000 0.548 347 L N 6.926 128.203 121.223 0.091 0.000 2.334 347 L HA 0.599 4.939 4.340 -0.001 0.000 0.275 347 L C -0.249 176.738 176.870 0.194 0.000 1.036 347 L CA -0.555 54.370 54.840 0.141 0.000 0.807 347 L CB 1.431 43.517 42.059 0.045 0.000 1.231 347 L HN 0.232 nan 8.230 nan 0.000 0.438 348 V N 0.370 120.457 119.914 0.289 0.000 2.769 348 V HA 0.721 4.841 4.120 -0.001 0.000 0.312 348 V C -0.927 175.253 176.094 0.143 0.000 1.061 348 V CA -0.429 61.971 62.300 0.167 0.000 0.931 348 V CB 2.080 33.978 31.823 0.125 0.000 1.010 348 V HN 0.828 nan 8.190 nan 0.000 0.433 349 D N 1.344 121.803 120.400 0.097 0.000 2.665 349 D HA 0.636 5.276 4.640 -0.001 0.000 0.287 349 D C -1.127 175.204 176.300 0.053 0.000 1.266 349 D CA -0.559 53.490 54.000 0.082 0.000 0.830 349 D CB 2.130 43.002 40.800 0.119 0.000 1.356 349 D HN 0.499 nan 8.370 nan 0.000 0.437 350 R N 0.412 120.939 120.500 0.045 0.000 2.692 350 R HA 0.516 4.855 4.340 -0.001 0.000 0.269 350 R C -1.972 174.346 176.300 0.030 0.000 1.030 350 R CA -0.489 55.629 56.100 0.030 0.000 0.882 350 R CB 1.717 32.030 30.300 0.022 0.000 1.250 350 R HN 0.754 nan 8.270 nan 0.000 0.465 351 D N -0.567 119.846 120.400 0.022 0.000 2.665 351 D HA 0.168 4.808 4.640 -0.001 0.000 0.287 351 D C -0.136 176.173 176.300 0.015 0.000 1.266 351 D CA -0.535 53.478 54.000 0.023 0.000 0.830 351 D CB 0.221 41.039 40.800 0.030 0.000 1.356 351 D HN 0.302 nan 8.370 nan 0.000 0.437 352 D N -0.396 120.011 120.400 0.011 0.000 2.172 352 D HA -0.178 4.462 4.640 -0.001 0.000 0.196 352 D C 1.558 177.861 176.300 0.005 0.000 0.999 352 D CA 1.454 55.457 54.000 0.006 0.000 0.856 352 D CB -0.003 40.797 40.800 0.001 0.000 0.934 352 D HN 0.395 nan 8.370 nan 0.000 0.453 353 Q N -0.110 119.694 119.800 0.006 0.000 2.378 353 Q HA 0.203 4.542 4.340 -0.001 0.000 0.205 353 Q C 1.186 177.193 176.000 0.011 0.000 0.954 353 Q CA 0.854 56.662 55.803 0.008 0.000 0.901 353 Q CB 0.815 29.560 28.738 0.011 0.000 0.981 353 Q HN 0.321 nan 8.270 nan 0.000 0.483 354 G N -0.661 108.145 108.800 0.010 0.000 2.345 354 G HA2 0.109 4.068 3.960 -0.001 0.000 0.285 354 G HA3 0.109 4.068 3.960 -0.001 0.000 0.285 354 G C -1.244 173.662 174.900 0.010 0.000 1.297 354 G CA -0.722 44.384 45.100 0.010 0.000 0.875 354 G HN -0.038 nan 8.290 nan 0.000 0.506 355 T N 0.046 114.607 114.554 0.011 0.000 2.940 355 T HA 0.737 5.086 4.350 -0.001 0.000 0.288 355 T C -0.673 174.032 174.700 0.008 0.000 1.033 355 T CA -0.101 62.009 62.100 0.015 0.000 1.033 355 T CB 1.543 70.425 68.868 0.024 0.000 1.079 355 T HN 1.507 nan 8.240 nan 0.000 0.496 356 L N 0.712 121.944 121.223 0.014 0.000 2.455 356 L HA 0.718 5.058 4.340 -0.001 0.000 0.264 356 L C -1.860 175.017 176.870 0.012 0.000 0.968 356 L CA -0.786 54.057 54.840 0.004 0.000 0.827 356 L CB 1.278 43.332 42.059 -0.010 0.000 1.317 356 L HN 0.534 nan 8.230 nan 0.000 0.407 357 L N 4.409 125.618 121.223 -0.022 0.000 2.282 357 L HA 0.687 5.027 4.340 -0.001 0.000 0.288 357 L C -0.333 176.490 176.870 -0.078 0.000 1.033 357 L CA -0.424 54.384 54.840 -0.054 0.000 0.807 357 L CB 1.488 43.463 42.059 -0.139 0.000 1.209 357 L HN 0.896 nan 8.230 nan 0.000 0.423 358 Q N 4.074 123.826 119.800 -0.079 0.000 2.456 358 Q HA 0.827 5.167 4.340 -0.001 0.000 0.284 358 Q C -1.439 174.408 176.000 -0.255 0.000 1.061 358 Q CA -0.890 54.804 55.803 -0.182 0.000 0.799 358 Q CB 3.421 32.067 28.738 -0.153 0.000 1.445 358 Q HN 0.662 nan 8.270 nan 0.000 0.411 359 I N 0.815 121.109 120.570 -0.460 0.000 2.828 359 I HA 0.531 4.701 4.170 -0.001 0.000 0.295 359 I C -1.954 173.859 176.117 -0.506 0.000 1.459 359 I CA -0.957 60.129 61.300 -0.356 0.000 1.015 359 I CB 2.022 39.941 38.000 -0.135 0.000 1.345 359 I HN 0.748 nan 8.210 nan 0.000 0.449 360 F N 3.528 123.593 119.950 0.191 0.000 2.495 360 F HA 0.496 5.022 4.527 -0.001 0.000 0.327 360 F C 0.626 176.525 175.800 0.166 0.000 1.103 360 F CA -0.612 57.487 58.000 0.164 0.000 0.949 360 F CB 2.199 41.205 39.000 0.010 0.000 1.142 360 F HN 0.408 nan 8.300 nan 0.000 0.457 361 T N -0.440 114.240 114.554 0.211 0.000 2.849 361 T HA 0.386 4.736 4.350 -0.001 0.000 0.284 361 T C 0.043 174.756 174.700 0.021 0.000 1.004 361 T CA -0.954 61.102 62.100 -0.074 0.000 1.021 361 T CB 0.934 69.666 68.868 -0.226 0.000 1.013 361 T HN 0.507 nan 8.240 nan 0.000 0.527 362 K N 1.665 122.051 120.400 -0.023 0.000 2.187 362 K HA 0.271 4.591 4.320 -0.001 0.000 0.247 362 K C -2.315 174.346 176.600 0.101 0.000 1.019 362 K CA -1.444 54.851 56.287 0.013 0.000 0.893 362 K CB -0.155 32.355 32.500 0.017 0.000 1.025 362 K HN 0.451 nan 8.250 nan 0.000 0.500 363 P HA -0.123 nan 4.420 nan 0.000 0.266 363 P C 0.069 177.508 177.300 0.232 0.000 1.186 363 P CA 0.642 63.873 63.100 0.219 0.000 0.767 363 P CB 0.356 32.153 31.700 0.160 0.000 0.820 364 L N 0.640 122.046 121.223 0.305 0.000 2.341 364 L HA 0.162 4.502 4.340 -0.001 0.000 0.214 364 L C 1.504 178.580 176.870 0.343 0.000 1.115 364 L CA 0.941 56.007 54.840 0.378 0.000 0.820 364 L CB -0.592 41.756 42.059 0.481 0.000 0.944 364 L HN 0.500 nan 8.230 nan 0.000 0.452 365 G N -1.550 107.420 108.800 0.282 0.000 3.243 365 G HA2 0.174 4.133 3.960 -0.001 0.000 0.248 365 G HA3 0.174 4.133 3.960 -0.001 0.000 0.248 365 G C -0.345 174.649 174.900 0.157 0.000 1.267 365 G CA -0.215 45.026 45.100 0.235 0.000 0.906 365 G HN -0.187 nan 8.290 nan 0.000 0.592 366 D N 0.142 120.621 120.400 0.133 0.000 2.097 366 D HA -0.026 4.613 4.640 -0.001 0.000 0.195 366 D C 1.101 177.443 176.300 0.070 0.000 0.989 366 D CA 0.889 54.943 54.000 0.089 0.000 0.827 366 D CB 0.047 40.894 40.800 0.077 0.000 0.966 366 D HN 0.220 nan 8.370 nan 0.000 0.456 367 R N 1.104 121.645 120.500 0.069 0.000 2.490 367 R HA 0.239 4.579 4.340 -0.001 0.000 0.278 367 R C -2.116 174.197 176.300 0.021 0.000 1.069 367 R CA -1.389 54.735 56.100 0.040 0.000 1.080 367 R CB 0.195 30.518 30.300 0.038 0.000 1.030 367 R HN -0.011 nan 8.270 nan 0.000 0.491 368 P HA -0.023 nan 4.420 nan 0.000 0.235 368 P C -0.245 177.083 177.300 0.046 0.000 1.765 368 P CA 0.284 63.348 63.100 -0.061 0.000 1.034 368 P CB 0.176 31.733 31.700 -0.238 0.000 1.984 369 T N -0.596 114.049 114.554 0.152 0.000 2.995 369 T HA 0.223 4.572 4.350 -0.001 0.000 0.170 369 T C 0.702 175.727 174.700 0.542 0.000 0.844 369 T CA -0.323 61.922 62.100 0.242 0.000 1.137 369 T CB -0.394 68.414 68.868 -0.101 0.000 2.193 369 T HN 0.131 nan 8.240 nan 0.000 0.384 370 I N 2.957 123.790 120.570 0.439 0.000 2.529 370 I HA 0.492 4.662 4.170 -0.001 0.000 0.284 370 I C -0.911 175.454 176.117 0.413 0.000 1.082 370 I CA -0.973 60.555 61.300 0.379 0.000 1.406 370 I CB 0.314 38.512 38.000 0.330 0.000 1.405 370 I HN 0.575 nan 8.210 nan 0.000 0.548 371 F N 6.076 126.175 119.950 0.249 0.000 2.675 371 F HA 0.728 5.255 4.527 -0.001 0.000 0.324 371 F C -1.319 174.605 175.800 0.208 0.000 1.106 371 F CA -1.155 56.961 58.000 0.195 0.000 0.970 371 F CB 0.839 39.931 39.000 0.153 0.000 1.385 371 F HN 0.107 nan 8.300 nan 0.000 0.489 372 I N 0.865 121.644 120.570 0.349 0.000 2.530 372 I HA 0.342 4.511 4.170 -0.001 0.000 0.297 372 I C -0.988 175.298 176.117 0.282 0.000 1.011 372 I CA -0.636 60.785 61.300 0.201 0.000 1.107 372 I CB 2.118 40.119 38.000 0.003 0.000 1.285 372 I HN 0.769 nan 8.210 nan 0.000 0.436 373 E N 6.637 126.959 120.200 0.204 0.000 2.187 373 E HA 0.432 4.782 4.350 -0.001 0.000 0.268 373 E C -1.395 175.178 176.600 -0.044 0.000 0.896 373 E CA -0.719 55.710 56.400 0.047 0.000 0.766 373 E CB 1.442 31.205 29.700 0.106 0.000 1.142 373 E HN 0.337 nan 8.360 nan 0.000 0.408 374 I N 6.335 126.846 120.570 -0.098 0.000 2.336 374 I HA 0.360 4.529 4.170 -0.001 0.000 0.292 374 I C 0.274 176.320 176.117 -0.119 0.000 0.991 374 I CA -0.624 60.635 61.300 -0.068 0.000 1.227 374 I CB 0.380 38.373 38.000 -0.011 0.000 1.366 374 I HN 0.538 nan 8.210 nan 0.000 0.466 375 I N 3.251 123.772 120.570 -0.082 0.000 3.074 375 I HA 0.733 4.902 4.170 -0.001 0.000 0.310 375 I C -0.871 175.208 176.117 -0.062 0.000 1.153 375 I CA -0.835 60.423 61.300 -0.071 0.000 0.993 375 I CB 2.463 40.458 38.000 -0.009 0.000 1.237 375 I HN 0.591 nan 8.210 nan 0.000 0.443 376 Q N 2.451 122.212 119.800 -0.065 0.000 2.281 376 Q HA 0.540 4.879 4.340 -0.001 0.000 0.263 376 Q C -1.747 174.232 176.000 -0.034 0.000 0.989 376 Q CA -0.732 55.039 55.803 -0.054 0.000 0.852 376 Q CB 2.239 30.922 28.738 -0.092 0.000 1.337 376 Q HN 0.763 nan 8.270 nan 0.000 0.418 377 R N 1.780 122.272 120.500 -0.013 0.000 2.346 377 R HA 0.582 4.921 4.340 -0.001 0.000 0.311 377 R C -0.921 175.381 176.300 0.004 0.000 0.983 377 R CA -0.671 55.426 56.100 -0.006 0.000 0.880 377 R CB 1.718 32.017 30.300 -0.002 0.000 1.100 377 R HN 0.336 nan 8.270 nan 0.000 0.453 378 V N 1.921 121.839 119.914 0.006 0.000 2.417 378 V HA 0.829 4.949 4.120 -0.001 0.000 0.291 378 V C 0.758 176.861 176.094 0.014 0.000 1.024 378 V CA -0.303 62.006 62.300 0.014 0.000 0.861 378 V CB 0.917 32.752 31.823 0.022 0.000 0.985 378 V HN 1.086 nan 8.190 nan 0.000 0.436 379 G N 2.329 111.138 108.800 0.015 0.000 2.306 379 G HA2 0.186 4.146 3.960 -0.001 0.000 0.262 379 G HA3 0.186 4.146 3.960 -0.001 0.000 0.262 379 G C -0.247 174.661 174.900 0.015 0.000 1.263 379 G CA -0.028 45.080 45.100 0.012 0.000 1.088 379 G HN 1.464 nan 8.290 nan 0.000 0.489 391 Q N 1.249 121.257 119.800 0.347 0.000 2.359 391 Q HA 0.644 4.983 4.340 -0.001 0.000 0.275 391 Q C -0.867 175.337 176.000 0.340 0.000 1.082 391 Q CA -0.835 55.106 55.803 0.230 0.000 0.849 391 Q CB 2.170 30.979 28.738 0.119 0.000 1.377 391 Q HN 0.949 nan 8.270 nan 0.000 0.452 392 S N 0.976 116.810 115.700 0.223 0.000 2.448 392 S HA 0.376 4.846 4.470 -0.001 0.000 0.279 392 S C 0.406 175.087 174.600 0.134 0.000 1.195 392 S CA -0.237 58.082 58.200 0.197 0.000 1.051 392 S CB 0.355 63.646 63.200 0.152 0.000 0.948 392 S HN 0.753 nan 8.310 nan 0.000 0.493 393 G N 2.189 111.056 108.800 0.110 0.000 2.224 393 G HA2 0.400 4.360 3.960 -0.001 0.000 0.239 393 G HA3 0.400 4.360 3.960 -0.001 0.000 0.239 393 G C 1.145 176.136 174.900 0.152 0.000 1.240 393 G CA -0.141 45.020 45.100 0.101 0.000 0.896 393 G HN 2.217 nan 8.290 nan 0.000 0.496 394 G N 0.362 109.190 108.800 0.047 0.000 2.136 394 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.242 394 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.242 394 G C 0.820 175.699 174.900 -0.036 0.000 0.989 394 G CA 0.325 45.382 45.100 -0.072 0.000 0.682 394 G HN 1.481 nan 8.290 nan 0.000 0.522 395 c N 0.960 119.559 118.600 -0.003 0.000 2.662 395 c HA 0.485 5.055 4.570 -0.001 0.000 0.402 395 c C 2.061 176.122 174.090 -0.049 0.000 1.397 395 c CA 1.841 58.172 56.329 0.004 0.000 1.575 395 c CB -1.146 41.378 42.510 0.023 0.000 2.406 395 c HN 2.232 nan 8.230 nan 0.000 0.609 396 G N 4.071 112.849 108.800 -0.036 0.000 2.179 396 G HA2 0.264 4.223 3.960 -0.001 0.000 0.220 396 G HA3 0.264 4.223 3.960 -0.001 0.000 0.220 396 G C 1.027 175.882 174.900 -0.075 0.000 0.990 396 G CA 0.560 45.636 45.100 -0.040 0.000 0.646 396 G HN 2.607 nan 8.290 nan 0.000 0.517 397 G N -1.237 107.454 108.800 -0.181 0.000 2.545 397 G HA2 0.158 4.117 3.960 -0.001 0.000 0.216 397 G HA3 0.158 4.117 3.960 -0.001 0.000 0.216 397 G C 0.098 174.665 174.900 -0.555 0.000 1.314 397 G CA 0.235 45.204 45.100 -0.218 0.000 0.906 397 G HN 1.101 nan 8.290 nan 0.000 0.563 398 F N 1.292 121.285 119.950 0.072 0.000 2.838 398 F HA 0.496 5.023 4.527 -0.001 0.000 0.329 398 F C 1.674 177.579 175.800 0.174 0.000 1.116 398 F CA 0.897 58.947 58.000 0.083 0.000 1.155 398 F CB 1.323 40.309 39.000 -0.023 0.000 1.106 398 F HN 1.928 nan 8.300 nan 0.000 0.538 399 G N 0.663 109.621 108.800 0.265 0.000 2.130 399 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.216 399 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.216 399 G C 1.017 176.064 174.900 0.245 0.000 0.999 399 G CA 0.342 45.597 45.100 0.259 0.000 0.686 399 G HN 0.249 nan 8.290 nan 0.000 0.515 400 K N 0.468 120.998 120.400 0.217 0.000 2.074 400 K HA -0.009 4.311 4.320 -0.001 0.000 0.209 400 K C 2.779 179.492 176.600 0.189 0.000 1.048 400 K CA 2.133 58.524 56.287 0.174 0.000 0.926 400 K CB -0.652 31.928 32.500 0.134 0.000 0.713 400 K HN 0.558 nan 8.250 nan 0.000 0.444 401 G N 1.138 110.038 108.800 0.166 0.000 2.476 401 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.218 401 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.218 401 G C 1.458 176.471 174.900 0.188 0.000 1.164 401 G CA 1.130 46.320 45.100 0.151 0.000 0.768 401 G HN 0.250 nan 8.290 nan 0.000 0.560 402 N N 0.122 118.955 118.700 0.222 0.000 2.137 402 N HA -0.147 4.593 4.740 -0.001 0.000 0.190 402 N C 1.797 177.452 175.510 0.242 0.000 1.017 402 N CA 1.117 54.322 53.050 0.259 0.000 0.859 402 N CB -0.437 38.217 38.487 0.277 0.000 1.002 402 N HN 0.334 nan 8.380 nan 0.000 0.428 403 F N 1.541 121.559 119.950 0.114 0.000 2.024 403 F HA -0.291 4.235 4.527 -0.001 0.000 0.296 403 F C 2.729 178.598 175.800 0.116 0.000 1.137 403 F CA 2.189 60.241 58.000 0.086 0.000 1.200 403 F CB -0.966 38.053 39.000 0.032 0.000 0.954 403 F HN -0.032 nan 8.300 nan 0.000 0.497 404 S N -0.782 114.893 115.700 -0.043 0.000 2.453 404 S HA -0.099 4.370 4.470 -0.001 0.000 0.231 404 S C 1.801 176.404 174.600 0.005 0.000 1.005 404 S CA 0.801 58.897 58.200 -0.173 0.000 0.949 404 S CB -0.505 62.686 63.200 -0.015 0.000 0.774 404 S HN 0.474 nan 8.310 nan 0.000 0.510 405 E N 0.707 120.952 120.200 0.075 0.000 2.481 405 E HA 0.082 4.432 4.350 -0.001 0.000 0.195 405 E C 1.577 178.318 176.600 0.236 0.000 1.047 405 E CA 0.099 56.567 56.400 0.114 0.000 0.867 405 E CB 0.116 29.855 29.700 0.066 0.000 0.858 405 E HN 0.554 nan 8.360 nan 0.000 0.513 406 L N -0.840 120.486 121.223 0.173 0.000 2.056 406 L HA -0.032 4.307 4.340 -0.001 0.000 0.202 406 L C 2.207 179.102 176.870 0.041 0.000 1.086 406 L CA 0.575 55.474 54.840 0.099 0.000 0.758 406 L CB -0.996 41.037 42.059 -0.043 0.000 0.912 406 L HN 0.019 nan 8.230 nan 0.000 0.446 407 F N 1.383 121.220 119.950 -0.190 0.000 2.133 407 F HA -0.481 4.045 4.527 -0.001 0.000 0.285 407 F C 2.777 178.512 175.800 -0.108 0.000 1.111 407 F CA 2.620 60.494 58.000 -0.209 0.000 1.310 407 F CB -0.310 38.459 39.000 -0.385 0.000 0.921 407 F HN -0.047 nan 8.300 nan 0.000 0.517 408 K N -0.166 120.365 120.400 0.219 0.000 2.107 408 K HA -0.270 4.049 4.320 -0.001 0.000 0.211 408 K C 2.189 178.813 176.600 0.039 0.000 1.049 408 K CA 2.114 58.477 56.287 0.128 0.000 0.927 408 K CB -0.386 32.171 32.500 0.095 0.000 0.714 408 K HN 0.532 nan 8.250 nan 0.000 0.452 409 S N 0.001 115.724 115.700 0.039 0.000 2.453 409 S HA -0.036 4.434 4.470 -0.001 0.000 0.231 409 S C 1.171 175.758 174.600 -0.022 0.000 1.005 409 S CA 0.278 58.496 58.200 0.030 0.000 0.949 409 S CB -0.454 62.807 63.200 0.101 0.000 0.774 409 S HN 0.176 nan 8.310 nan 0.000 0.510 410 I N 0.000 120.513 120.570 -0.096 0.000 2.984 410 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 410 I CA 0.000 61.220 61.300 -0.133 0.000 1.566 410 I CB 0.000 37.855 38.000 -0.243 0.000 1.214 410 I HN 0.000 nan 8.210 nan 0.000 0.494