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 2ayq_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTSMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE EASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLNN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.281 176.300 -0.031 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.633 32.600 0.056 0.000 1.302 2 K N 2.014 122.396 120.400 -0.030 0.000 2.130 2 K HA 0.912 5.232 4.320 -0.000 0.000 0.268 2 K C -0.488 176.066 176.600 -0.077 0.000 0.983 2 K CA -0.172 56.084 56.287 -0.052 0.000 0.893 2 K CB 0.394 32.882 32.500 -0.020 0.000 1.066 2 K HN 0.602 nan 8.250 nan 0.000 0.450 3 M N -1.037 118.478 119.600 -0.142 0.000 2.325 3 M HA 0.648 5.128 4.480 -0.000 0.000 0.285 3 M C -0.577 175.612 176.300 -0.185 0.000 1.119 3 M CA -0.954 54.262 55.300 -0.140 0.000 0.959 3 M CB 1.724 34.084 32.600 -0.400 0.000 1.737 3 M HN 0.505 nan 8.290 nan 0.000 0.486 4 K N 4.153 124.512 120.400 -0.068 0.000 2.281 4 K HA 0.792 5.112 4.320 -0.000 0.000 0.272 4 K C -1.413 175.157 176.600 -0.049 0.000 1.048 4 K CA -0.445 55.786 56.287 -0.093 0.000 0.898 4 K CB 0.670 33.161 32.500 -0.014 0.000 1.128 4 K HN 0.791 nan 8.250 nan 0.000 0.460 5 L N 2.011 123.138 121.223 -0.161 0.000 2.282 5 L HA 0.611 4.951 4.340 -0.000 0.000 0.288 5 L C 0.658 177.557 176.870 0.047 0.000 1.033 5 L CA -1.259 53.556 54.840 -0.042 0.000 0.807 5 L CB 1.986 43.986 42.059 -0.098 0.000 1.209 5 L HN 0.766 nan 8.230 nan 0.000 0.423 6 A N 4.176 127.050 122.820 0.090 0.000 2.347 6 A HA 0.546 4.866 4.320 -0.000 0.000 0.287 6 A C -0.221 177.433 177.584 0.117 0.000 1.199 6 A CA -0.297 51.804 52.037 0.107 0.000 0.851 6 A CB 0.427 19.500 19.000 0.122 0.000 1.118 6 A HN 0.456 nan 8.150 nan 0.000 0.525 7 V N 4.382 124.372 119.914 0.128 0.000 2.370 7 V HA 0.367 4.487 4.120 -0.000 0.000 0.283 7 V C -0.736 175.405 176.094 0.079 0.000 1.023 7 V CA -0.227 62.144 62.300 0.118 0.000 0.857 7 V CB 1.139 33.049 31.823 0.145 0.000 0.985 7 V HN 0.699 nan 8.190 nan 0.000 0.443 8 L N 8.945 130.205 121.223 0.063 0.000 2.417 8 L HA 0.427 4.767 4.340 -0.000 0.000 0.259 8 L C -1.348 175.542 176.870 0.033 0.000 1.023 8 L CA -1.196 53.670 54.840 0.043 0.000 0.901 8 L CB 1.534 43.616 42.059 0.038 0.000 1.227 8 L HN 0.370 nan 8.230 nan 0.000 0.454 9 P HA -0.069 nan 4.420 nan 0.000 0.210 9 P C 0.793 178.108 177.300 0.025 0.000 1.189 9 P CA 1.808 64.925 63.100 0.028 0.000 0.920 9 P CB 0.634 32.349 31.700 0.026 0.000 0.782 10 G N -0.004 108.803 108.800 0.012 0.000 2.501 10 G HA2 -0.103 3.856 3.960 -0.000 0.000 0.213 10 G HA3 -0.103 3.856 3.960 -0.000 0.000 0.213 10 G C -1.332 173.571 174.900 0.005 0.000 1.158 10 G CA 0.060 45.155 45.100 -0.007 0.000 1.079 10 G HN 0.357 nan 8.290 nan 0.000 0.586 11 D N 0.642 121.052 120.400 0.018 0.000 2.497 11 D HA 0.584 5.224 4.640 -0.000 0.000 0.243 11 D C 1.145 177.509 176.300 0.108 0.000 1.039 11 D CA 0.826 54.873 54.000 0.079 0.000 1.052 11 D CB 1.091 41.939 40.800 0.080 0.000 1.344 11 D HN 1.837 nan 8.370 nan 0.000 0.553 12 G N 0.925 109.810 108.800 0.141 0.000 2.611 12 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.301 12 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.301 12 G C 1.099 176.046 174.900 0.079 0.000 1.233 12 G CA 0.619 45.785 45.100 0.110 0.000 0.993 12 G HN 0.740 nan 8.290 nan 0.000 0.553 13 I N 0.523 121.133 120.570 0.067 0.000 3.176 13 I HA 0.248 4.418 4.170 -0.000 0.000 0.275 13 I C 2.315 178.477 176.117 0.074 0.000 1.298 13 I CA 1.633 62.962 61.300 0.048 0.000 1.445 13 I CB -0.997 37.006 38.000 0.005 0.000 1.075 13 I HN 0.751 nan 8.210 nan 0.000 0.482 14 G N 3.339 112.195 108.800 0.094 0.000 2.681 14 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 14 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 14 G C -0.122 174.817 174.900 0.065 0.000 1.210 14 G CA 1.600 46.755 45.100 0.090 0.000 0.783 14 G HN 0.421 nan 8.290 nan 0.000 0.609 15 P HA -0.099 nan 4.420 nan 0.000 0.215 15 P C 1.416 178.730 177.300 0.024 0.000 1.157 15 P CA 1.752 64.871 63.100 0.032 0.000 0.868 15 P CB -0.122 31.597 31.700 0.032 0.000 0.788 16 E N 0.047 120.263 120.200 0.027 0.000 2.021 16 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 16 E C 2.117 178.728 176.600 0.018 0.000 1.015 16 E CA 2.241 58.651 56.400 0.016 0.000 0.824 16 E CB -0.841 28.868 29.700 0.015 0.000 0.762 16 E HN 0.152 nan 8.360 nan 0.000 0.454 17 V N -0.806 119.132 119.914 0.039 0.000 2.594 17 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 17 V C 2.190 178.307 176.094 0.040 0.000 1.069 17 V CA 1.844 64.177 62.300 0.055 0.000 1.082 17 V CB -0.457 31.440 31.823 0.122 0.000 0.680 17 V HN 0.180 nan 8.190 nan 0.000 0.469 18 M N 1.480 121.098 119.600 0.031 0.000 2.123 18 M HA -0.052 4.428 4.480 -0.000 0.000 0.263 18 M C 1.753 178.037 176.300 -0.027 0.000 1.069 18 M CA 1.969 57.275 55.300 0.009 0.000 1.133 18 M CB -0.779 31.828 32.600 0.012 0.000 1.356 18 M HN 0.386 nan 8.290 nan 0.000 0.415 19 D N 0.284 120.666 120.400 -0.030 0.000 2.104 19 D HA -0.157 4.483 4.640 -0.000 0.000 0.194 19 D C 1.964 178.229 176.300 -0.059 0.000 0.994 19 D CA 1.855 55.821 54.000 -0.056 0.000 0.830 19 D CB -0.531 40.244 40.800 -0.041 0.000 0.959 19 D HN 0.484 nan 8.370 nan 0.000 0.452 20 A N 1.454 124.254 122.820 -0.034 0.000 1.892 20 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 20 A C 2.385 179.947 177.584 -0.036 0.000 1.188 20 A CA 2.876 54.895 52.037 -0.030 0.000 0.631 20 A CB -0.886 18.107 19.000 -0.012 0.000 0.822 20 A HN 0.274 nan 8.150 nan 0.000 0.447 21 A N -0.112 122.692 122.820 -0.027 0.000 1.858 21 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 21 A C 2.140 179.688 177.584 -0.060 0.000 1.190 21 A CA 1.581 53.602 52.037 -0.026 0.000 0.617 21 A CB -0.716 18.282 19.000 -0.004 0.000 0.827 21 A HN 0.525 nan 8.150 nan 0.000 0.443 22 I N -0.751 119.754 120.570 -0.107 0.000 2.151 22 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 22 I C 2.798 178.803 176.117 -0.188 0.000 1.080 22 I CA 1.675 62.843 61.300 -0.219 0.000 1.339 22 I CB -0.481 37.312 38.000 -0.344 0.000 1.039 22 I HN 0.319 nan 8.210 nan 0.000 0.409 23 R N 0.429 120.849 120.500 -0.134 0.000 2.097 23 R HA -0.169 4.170 4.340 -0.000 0.000 0.236 23 R C 2.341 178.600 176.300 -0.069 0.000 1.135 23 R CA 1.882 57.923 56.100 -0.099 0.000 0.934 23 R CB -0.821 29.435 30.300 -0.074 0.000 0.846 23 R HN 0.225 nan 8.270 nan 0.000 0.431 24 V N 1.564 121.445 119.914 -0.054 0.000 2.282 24 V HA -0.260 3.859 4.120 -0.000 0.000 0.249 24 V C 2.317 178.395 176.094 -0.026 0.000 1.057 24 V CA 1.696 63.974 62.300 -0.036 0.000 1.032 24 V CB -0.583 31.223 31.823 -0.028 0.000 0.645 24 V HN 0.240 nan 8.190 nan 0.000 0.447 25 L N -0.021 121.185 121.223 -0.027 0.000 1.989 25 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 25 L C 2.455 179.343 176.870 0.030 0.000 1.071 25 L CA 1.999 56.841 54.840 0.004 0.000 0.749 25 L CB -0.800 41.276 42.059 0.029 0.000 0.890 25 L HN 0.224 nan 8.230 nan 0.000 0.431 26 K N -1.059 119.345 120.400 0.006 0.000 2.001 26 K HA -0.220 4.100 4.320 -0.000 0.000 0.214 26 K C 1.979 178.592 176.600 0.021 0.000 1.050 26 K CA 2.381 58.688 56.287 0.034 0.000 0.934 26 K CB -0.618 31.864 32.500 -0.031 0.000 0.718 26 K HN 0.670 nan 8.250 nan 0.000 0.443 27 T N -0.213 114.338 114.554 -0.006 0.000 2.635 27 T HA -0.170 4.179 4.350 -0.000 0.000 0.267 27 T C 2.123 176.820 174.700 -0.004 0.000 1.040 27 T CA 1.882 63.976 62.100 -0.010 0.000 1.156 27 T CB -1.003 67.853 68.868 -0.020 0.000 0.863 27 T HN -0.032 nan 8.240 nan 0.000 0.430 28 V N 2.270 122.184 119.914 0.001 0.000 2.282 28 V HA -0.167 3.952 4.120 -0.000 0.000 0.249 28 V C 2.866 178.974 176.094 0.023 0.000 1.057 28 V CA 2.008 64.312 62.300 0.007 0.000 1.032 28 V CB -0.951 30.877 31.823 0.008 0.000 0.645 28 V HN 0.477 nan 8.190 nan 0.000 0.447 29 L N 0.069 121.321 121.223 0.047 0.000 2.056 29 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 29 L C 2.451 179.325 176.870 0.007 0.000 1.078 29 L CA 2.122 57.017 54.840 0.090 0.000 0.749 29 L CB -0.822 41.297 42.059 0.100 0.000 0.901 29 L HN 0.454 nan 8.230 nan 0.000 0.433 30 D N 0.614 121.016 120.400 0.003 0.000 2.116 30 D HA -0.251 4.388 4.640 -0.000 0.000 0.193 30 D C 1.665 177.930 176.300 -0.058 0.000 0.998 30 D CA 1.616 55.602 54.000 -0.022 0.000 0.836 30 D CB -0.076 40.718 40.800 -0.009 0.000 0.951 30 D HN 0.157 nan 8.370 nan 0.000 0.449 31 N N -0.141 118.527 118.700 -0.054 0.000 2.585 31 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 31 N C -0.024 175.421 175.510 -0.109 0.000 1.102 31 N CA 0.939 53.950 53.050 -0.064 0.000 0.920 31 N CB 0.209 38.670 38.487 -0.043 0.000 0.963 31 N HN 0.332 nan 8.380 nan 0.000 0.447 32 D N -1.918 118.366 120.400 -0.194 0.000 2.582 32 D HA 0.180 4.820 4.640 -0.000 0.000 0.246 32 D C 0.680 176.694 176.300 -0.476 0.000 1.334 32 D CA 0.053 53.852 54.000 -0.336 0.000 0.805 32 D CB 0.551 41.096 40.800 -0.424 0.000 1.087 32 D HN 0.179 nan 8.370 nan 0.000 0.499 33 G N 1.806 110.440 108.800 -0.277 0.000 2.166 33 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.260 33 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.260 33 G C 0.337 175.154 174.900 -0.137 0.000 0.986 33 G CA 0.165 45.155 45.100 -0.183 0.000 0.683 33 G HN 0.383 nan 8.290 nan 0.000 0.527 34 H N 0.429 119.475 119.070 -0.041 0.000 2.732 34 H HA 0.485 5.041 4.556 -0.000 0.000 0.351 34 H C 0.417 175.708 175.328 -0.062 0.000 1.090 34 H CA 0.175 56.186 56.048 -0.062 0.000 1.431 34 H CB 1.120 30.826 29.762 -0.092 0.000 1.447 34 H HN 0.537 nan 8.280 nan 0.000 0.582 35 E N 0.971 121.207 120.200 0.060 0.000 2.165 35 E HA 0.583 4.933 4.350 -0.000 0.000 0.266 35 E C -1.348 175.201 176.600 -0.086 0.000 0.889 35 E CA -0.894 55.503 56.400 -0.006 0.000 0.756 35 E CB 0.925 30.622 29.700 -0.006 0.000 1.131 35 E HN 0.728 nan 8.360 nan 0.000 0.411 36 A N 3.326 126.067 122.820 -0.132 0.000 2.401 36 A HA 0.681 5.000 4.320 -0.000 0.000 0.310 36 A C -1.205 176.121 177.584 -0.430 0.000 1.075 36 A CA -0.651 51.178 52.037 -0.347 0.000 0.746 36 A CB 1.711 20.415 19.000 -0.494 0.000 1.277 36 A HN 0.403 nan 8.150 nan 0.000 0.425 37 V N 1.255 120.843 119.914 -0.544 0.000 2.495 37 V HA 0.541 4.661 4.120 -0.000 0.000 0.298 37 V C -1.373 174.394 176.094 -0.546 0.000 1.031 37 V CA -0.232 61.846 62.300 -0.370 0.000 0.871 37 V CB 1.085 32.814 31.823 -0.157 0.000 0.988 37 V HN 0.675 nan 8.190 nan 0.000 0.432 38 F N 2.196 122.146 119.950 -0.001 0.000 2.382 38 F HA 0.510 5.037 4.527 -0.000 0.000 0.361 38 F C 0.501 176.309 175.800 0.013 0.000 1.109 38 F CA -0.569 57.434 58.000 0.005 0.000 1.031 38 F CB 1.291 40.289 39.000 -0.003 0.000 1.234 38 F HN 0.436 nan 8.300 nan 0.000 0.445 39 E N 2.435 122.724 120.200 0.149 0.000 2.134 39 E HA 0.263 4.613 4.350 -0.000 0.000 0.278 39 E C -0.881 175.783 176.600 0.107 0.000 0.959 39 E CA -0.865 55.599 56.400 0.106 0.000 0.783 39 E CB 1.103 30.845 29.700 0.070 0.000 1.095 39 E HN 0.471 nan 8.360 nan 0.000 0.399 40 N N 1.597 120.351 118.700 0.090 0.000 2.472 40 N HA 0.401 5.140 4.740 -0.000 0.000 0.277 40 N C -1.053 174.489 175.510 0.055 0.000 1.081 40 N CA -0.081 53.012 53.050 0.071 0.000 0.973 40 N CB 1.499 40.020 38.487 0.056 0.000 1.105 40 N HN 0.498 nan 8.380 nan 0.000 0.470 41 A N 1.589 124.439 122.820 0.050 0.000 2.430 41 A HA 0.750 5.070 4.320 -0.000 0.000 0.300 41 A C -1.024 176.576 177.584 0.027 0.000 1.124 41 A CA -0.547 51.513 52.037 0.039 0.000 0.766 41 A CB 0.729 19.755 19.000 0.043 0.000 1.328 41 A HN 0.491 nan 8.150 nan 0.000 0.424 42 L N 0.747 121.980 121.223 0.016 0.000 2.379 42 L HA 0.755 5.095 4.340 -0.000 0.000 0.269 42 L C -0.016 176.846 176.870 -0.014 0.000 1.084 42 L CA -0.017 54.823 54.840 0.001 0.000 0.802 42 L CB 1.306 43.364 42.059 -0.002 0.000 1.175 42 L HN 0.700 nan 8.230 nan 0.000 0.448 43 I N -0.328 120.218 120.570 -0.041 0.000 2.947 43 I HA 0.605 4.774 4.170 -0.000 0.000 0.301 43 I C 0.144 176.185 176.117 -0.127 0.000 1.453 43 I CA 0.086 61.348 61.300 -0.063 0.000 0.984 43 I CB 1.790 39.769 38.000 -0.035 0.000 1.333 43 I HN 0.723 nan 8.210 nan 0.000 0.475 44 G N 3.031 111.729 108.800 -0.170 0.000 2.601 44 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.252 44 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.252 44 G C 0.753 175.350 174.900 -0.506 0.000 1.294 44 G CA 0.191 45.112 45.100 -0.300 0.000 0.912 44 G HN 1.552 nan 8.290 nan 0.000 0.574 45 G N -0.329 107.874 108.800 -0.995 0.000 2.503 45 G HA2 0.119 4.079 3.960 -0.000 0.000 0.221 45 G HA3 0.119 4.079 3.960 -0.000 0.000 0.221 45 G C 2.174 176.735 174.900 -0.566 0.000 1.131 45 G CA 3.367 47.405 45.100 -1.771 0.000 0.756 45 G HN 2.025 nan 8.290 nan 0.000 0.572 46 A N 1.318 123.976 122.820 -0.270 0.000 1.851 46 A HA 0.193 4.513 4.320 -0.000 0.000 0.216 46 A C 2.906 180.471 177.584 -0.032 0.000 1.195 46 A CA 2.699 54.721 52.037 -0.026 0.000 0.622 46 A CB -1.117 17.877 19.000 -0.010 0.000 0.831 46 A HN 1.000 nan 8.150 nan 0.000 0.444 47 A N -0.256 122.515 122.820 -0.082 0.000 1.917 47 A HA -0.158 4.161 4.320 -0.000 0.000 0.219 47 A C 2.157 179.715 177.584 -0.042 0.000 1.182 47 A CA 1.713 53.719 52.037 -0.052 0.000 0.633 47 A CB -0.702 18.259 19.000 -0.065 0.000 0.819 47 A HN 0.533 nan 8.150 nan 0.000 0.448 48 I N -0.161 120.353 120.570 -0.094 0.000 2.163 48 I HA -0.265 3.905 4.170 -0.000 0.000 0.243 48 I C 1.886 178.038 176.117 0.059 0.000 1.085 48 I CA 1.691 62.966 61.300 -0.042 0.000 1.347 48 I CB -0.479 37.445 38.000 -0.126 0.000 1.044 48 I HN 0.275 nan 8.210 nan 0.000 0.408 49 D N 0.445 120.915 120.400 0.118 0.000 2.144 49 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 49 D C 2.016 178.371 176.300 0.091 0.000 0.984 49 D CA 1.123 55.219 54.000 0.160 0.000 0.834 49 D CB -0.166 40.770 40.800 0.226 0.000 0.955 49 D HN 0.340 nan 8.370 nan 0.000 0.465 50 E N -0.795 119.442 120.200 0.061 0.000 2.452 50 E HA 0.220 4.570 4.350 -0.000 0.000 0.197 50 E C 0.892 177.511 176.600 0.032 0.000 1.022 50 E CA 0.133 56.559 56.400 0.044 0.000 0.890 50 E CB 0.989 30.711 29.700 0.037 0.000 0.918 50 E HN 0.179 nan 8.360 nan 0.000 0.496 51 A N -1.010 121.826 122.820 0.026 0.000 2.701 51 A HA 0.480 4.800 4.320 -0.000 0.000 0.241 51 A C 1.401 178.997 177.584 0.020 0.000 1.231 51 A CA 0.641 52.690 52.037 0.020 0.000 1.003 51 A CB 0.438 19.444 19.000 0.012 0.000 1.281 51 A HN 0.142 nan 8.150 nan 0.000 0.600 52 G N -0.587 108.230 108.800 0.028 0.000 2.245 52 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.264 52 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.264 52 G C 0.545 175.455 174.900 0.017 0.000 0.985 52 G CA 1.175 46.294 45.100 0.031 0.000 0.625 52 G HN 1.622 nan 8.290 nan 0.000 0.536 53 T N 0.553 115.107 114.554 0.000 0.000 2.861 53 T HA 0.669 5.019 4.350 -0.000 0.000 0.287 53 T C -1.251 173.423 174.700 -0.042 0.000 1.003 53 T CA -1.072 61.020 62.100 -0.014 0.000 0.977 53 T CB 2.447 71.311 68.868 -0.006 0.000 0.996 53 T HN -0.076 nan 8.240 nan 0.000 0.448 54 P HA 0.064 nan 4.420 nan 0.000 0.225 54 P C 0.237 177.496 177.300 -0.069 0.000 1.148 54 P CA 0.376 63.415 63.100 -0.103 0.000 0.779 54 P CB 0.219 31.854 31.700 -0.108 0.000 0.780 55 L N 1.321 122.521 121.223 -0.038 0.000 2.470 55 L HA 0.487 4.827 4.340 -0.000 0.000 0.256 55 L C -2.703 174.161 176.870 -0.009 0.000 1.357 55 L CA -2.510 52.318 54.840 -0.020 0.000 0.902 55 L CB 1.169 43.221 42.059 -0.011 0.000 1.121 55 L HN -0.261 nan 8.230 nan 0.000 0.507 56 P HA 0.185 nan 4.420 nan 0.000 0.269 56 P C 0.834 178.138 177.300 0.006 0.000 1.215 56 P CA 0.680 63.780 63.100 0.001 0.000 0.780 56 P CB 0.644 32.346 31.700 0.002 0.000 0.898 57 E N 1.566 121.771 120.200 0.008 0.000 2.085 57 E HA -0.248 4.101 4.350 -0.000 0.000 0.194 57 E C 2.170 178.777 176.600 0.012 0.000 0.994 57 E CA 2.471 58.876 56.400 0.009 0.000 0.801 57 E CB -1.754 27.951 29.700 0.008 0.000 0.743 57 E HN 0.701 nan 8.360 nan 0.000 0.453 58 E N 0.394 120.603 120.200 0.014 0.000 2.085 58 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 58 E C 2.382 178.996 176.600 0.023 0.000 0.994 58 E CA 1.939 58.350 56.400 0.018 0.000 0.801 58 E CB -1.547 28.164 29.700 0.019 0.000 0.743 58 E HN 0.622 nan 8.360 nan 0.000 0.453 59 T N 0.837 115.405 114.554 0.023 0.000 2.746 59 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 59 T C 2.151 176.873 174.700 0.037 0.000 1.039 59 T CA 1.293 63.411 62.100 0.030 0.000 1.142 59 T CB -0.278 68.604 68.868 0.023 0.000 0.866 59 T HN 0.361 nan 8.240 nan 0.000 0.444 60 L N 0.824 122.063 121.223 0.027 0.000 2.017 60 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 60 L C 2.572 179.456 176.870 0.024 0.000 1.073 60 L CA 1.202 56.058 54.840 0.025 0.000 0.745 60 L CB -0.635 41.431 42.059 0.013 0.000 0.894 60 L HN 0.153 nan 8.230 nan 0.000 0.432 61 D N 0.421 120.833 120.400 0.020 0.000 2.116 61 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 61 D C 2.249 178.567 176.300 0.030 0.000 0.998 61 D CA 1.420 55.431 54.000 0.018 0.000 0.836 61 D CB -0.171 40.639 40.800 0.016 0.000 0.951 61 D HN 0.295 nan 8.370 nan 0.000 0.449 62 I N 0.516 121.111 120.570 0.041 0.000 2.163 62 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 62 I C 2.561 178.728 176.117 0.083 0.000 1.085 62 I CA 0.759 62.093 61.300 0.057 0.000 1.347 62 I CB -0.312 37.723 38.000 0.059 0.000 1.044 62 I HN 0.093 nan 8.210 nan 0.000 0.408 63 C N 0.749 120.107 119.300 0.098 0.000 2.398 63 C HA -0.180 4.280 4.460 -0.000 0.000 0.276 63 C C 2.909 177.986 174.990 0.146 0.000 1.222 63 C CA 0.936 60.053 59.018 0.165 0.000 1.746 63 C CB -1.334 26.504 27.740 0.164 0.000 2.039 63 C HN 0.432 nan 8.230 nan 0.000 0.470 64 R N 0.398 120.918 120.500 0.034 0.000 2.105 64 R HA -0.134 4.206 4.340 -0.000 0.000 0.239 64 R C 2.584 178.876 176.300 -0.013 0.000 1.135 64 R CA 1.955 58.023 56.100 -0.053 0.000 0.967 64 R CB -0.397 29.871 30.300 -0.053 0.000 0.861 64 R HN 0.632 nan 8.270 nan 0.000 0.442 65 R N 1.041 121.563 120.500 0.036 0.000 2.153 65 R HA 0.077 4.417 4.340 -0.000 0.000 0.218 65 R C 1.285 177.639 176.300 0.089 0.000 1.072 65 R CA 0.974 57.102 56.100 0.046 0.000 0.990 65 R CB -0.573 29.750 30.300 0.039 0.000 0.889 65 R HN 0.121 nan 8.270 nan 0.000 0.452 66 S N 0.996 116.785 115.700 0.148 0.000 2.585 66 S HA 0.107 4.577 4.470 -0.000 0.000 0.273 66 S C 0.044 174.824 174.600 0.301 0.000 1.339 66 S CA -0.473 57.845 58.200 0.197 0.000 1.028 66 S CB 1.366 64.686 63.200 0.200 0.000 0.906 66 S HN 0.489 nan 8.310 nan 0.000 0.528 67 D N 0.688 121.229 120.400 0.235 0.000 2.224 67 D HA 0.201 4.841 4.640 -0.000 0.000 0.205 67 D C 0.530 176.899 176.300 0.114 0.000 0.965 67 D CA 0.754 54.898 54.000 0.239 0.000 0.852 67 D CB 0.294 41.290 40.800 0.327 0.000 0.947 67 D HN 0.584 nan 8.370 nan 0.000 0.494 68 A N -0.227 122.610 122.820 0.028 0.000 2.511 68 A HA 0.599 4.918 4.320 -0.000 0.000 0.293 68 A C -1.754 175.728 177.584 -0.170 0.000 1.098 68 A CA -0.665 51.161 52.037 -0.351 0.000 0.643 68 A CB 1.281 20.211 19.000 -0.117 0.000 1.302 68 A HN 0.055 nan 8.150 nan 0.000 0.446 69 I N 0.397 120.854 120.570 -0.190 0.000 2.512 69 I HA 0.603 4.773 4.170 -0.000 0.000 0.287 69 I C -1.941 174.220 176.117 0.074 0.000 1.069 69 I CA -0.793 60.502 61.300 -0.007 0.000 1.056 69 I CB 1.149 39.166 38.000 0.029 0.000 1.229 69 I HN 0.631 nan 8.210 nan 0.000 0.429 70 L N 7.588 128.867 121.223 0.093 0.000 2.275 70 L HA 0.500 4.840 4.340 -0.000 0.000 0.288 70 L C -0.903 176.014 176.870 0.079 0.000 1.046 70 L CA -0.562 54.339 54.840 0.102 0.000 0.805 70 L CB 1.645 43.763 42.059 0.098 0.000 1.193 70 L HN 0.574 nan 8.230 nan 0.000 0.426 71 L N 3.046 124.309 121.223 0.067 0.000 2.362 71 L HA 0.708 5.048 4.340 -0.000 0.000 0.271 71 L C 0.450 177.335 176.870 0.025 0.000 1.002 71 L CA 0.014 54.878 54.840 0.040 0.000 0.818 71 L CB 1.943 44.017 42.059 0.026 0.000 1.298 71 L HN 0.536 nan 8.230 nan 0.000 0.420 72 G N 2.396 111.210 108.800 0.024 0.000 2.568 72 G HA2 0.634 4.593 3.960 -0.000 0.000 0.212 72 G HA3 0.634 4.593 3.960 -0.000 0.000 0.212 72 G C -0.500 174.406 174.900 0.011 0.000 1.821 72 G CA 0.400 45.517 45.100 0.028 0.000 0.904 72 G HN 1.019 nan 8.290 nan 0.000 0.566 73 A N -1.615 121.226 122.820 0.036 0.000 2.605 73 A HA 0.632 4.952 4.320 -0.000 0.000 0.294 73 A C -1.083 176.518 177.584 0.027 0.000 1.062 73 A CA 0.059 52.118 52.037 0.037 0.000 0.682 73 A CB 1.277 20.338 19.000 0.103 0.000 1.278 73 A HN 1.716 nan 8.150 nan 0.000 0.410 74 V N -1.365 118.555 119.914 0.010 0.000 2.914 74 V HA 1.053 5.173 4.120 -0.000 0.000 0.314 74 V C 0.127 176.224 176.094 0.006 0.000 1.084 74 V CA -0.051 62.232 62.300 -0.030 0.000 0.963 74 V CB 1.096 32.872 31.823 -0.079 0.000 1.025 74 V HN 2.802 nan 8.190 nan 0.000 0.432 75 G N 0.214 109.018 108.800 0.006 0.000 2.316 75 G HA2 0.632 4.592 3.960 -0.000 0.000 0.468 75 G HA3 0.632 4.592 3.960 -0.000 0.000 0.468 75 G C -0.399 174.703 174.900 0.336 0.000 1.523 75 G CA 0.120 45.296 45.100 0.126 0.000 0.972 75 G HN 2.576 nan 8.290 nan 0.000 0.667 76 G N -0.055 109.013 108.800 0.447 0.000 2.384 76 G HA2 0.642 4.601 3.960 -0.000 0.000 0.300 76 G HA3 0.642 4.601 3.960 -0.000 0.000 0.300 76 G C -2.235 172.812 174.900 0.247 0.000 1.582 76 G CA 0.264 45.621 45.100 0.428 0.000 0.875 76 G HN 0.563 nan 8.290 nan 0.000 0.628 77 P HA -0.010 nan 4.420 nan 0.000 0.222 77 P C 1.667 178.901 177.300 -0.109 0.000 1.147 77 P CA 0.840 63.936 63.100 -0.007 0.000 0.790 77 P CB 0.324 32.011 31.700 -0.023 0.000 0.780 78 K N -0.862 119.288 120.400 -0.417 0.000 2.147 78 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 78 K C 0.982 177.236 176.600 -0.577 0.000 1.049 78 K CA 1.195 57.062 56.287 -0.700 0.000 0.936 78 K CB -0.160 31.530 32.500 -1.350 0.000 0.722 78 K HN 0.204 nan 8.250 nan 0.000 0.446 79 W N 0.731 122.069 121.300 0.063 0.000 3.220 79 W HA 0.117 4.777 4.660 -0.000 0.000 0.328 79 W C 0.094 176.651 176.519 0.062 0.000 1.205 79 W CA -0.407 56.975 57.345 0.061 0.000 1.773 79 W CB 0.138 29.622 29.460 0.039 0.000 1.086 79 W HN 0.068 nan 8.180 nan 0.000 0.622 80 D N -0.692 119.830 120.400 0.203 0.000 2.378 80 D HA -0.080 4.560 4.640 -0.000 0.000 0.227 80 D C 1.407 177.678 176.300 -0.048 0.000 1.012 80 D CA 1.138 55.185 54.000 0.079 0.000 0.905 80 D CB -0.164 40.642 40.800 0.010 0.000 0.895 80 D HN 0.257 nan 8.370 nan 0.000 0.532 81 H N -0.768 118.334 119.070 0.054 0.000 2.755 81 H HA 0.195 4.750 4.556 -0.000 0.000 0.273 81 H C -0.012 175.344 175.328 0.048 0.000 1.055 81 H CA -0.265 55.804 56.048 0.035 0.000 1.191 81 H CB 0.558 30.327 29.762 0.012 0.000 1.536 81 H HN 0.004 nan 8.280 nan 0.000 0.529 82 N N 2.463 121.257 118.700 0.157 0.000 2.508 82 N HA 0.163 4.903 4.740 -0.000 0.000 0.285 82 N C -2.316 173.240 175.510 0.077 0.000 1.144 82 N CA -1.664 51.460 53.050 0.124 0.000 0.978 82 N CB 0.619 39.199 38.487 0.154 0.000 1.180 82 N HN 0.103 nan 8.380 nan 0.000 0.484 83 P HA 0.056 nan 4.420 nan 0.000 0.271 83 P C 0.138 177.456 177.300 0.030 0.000 1.218 83 P CA -0.177 62.944 63.100 0.035 0.000 0.780 83 P CB 0.699 32.418 31.700 0.030 0.000 0.901 84 A N 3.669 126.498 122.820 0.016 0.000 1.944 84 A HA -0.292 4.028 4.320 -0.000 0.000 0.222 84 A C 2.208 179.798 177.584 0.009 0.000 1.237 84 A CA 3.016 55.059 52.037 0.009 0.000 0.668 84 A CB -1.949 17.050 19.000 -0.003 0.000 0.830 84 A HN 0.695 nan 8.150 nan 0.000 0.471 85 S N -0.836 114.871 115.700 0.010 0.000 2.469 85 S HA 0.067 4.537 4.470 -0.000 0.000 0.238 85 S C 0.947 175.552 174.600 0.008 0.000 0.998 85 S CA 1.125 59.330 58.200 0.008 0.000 0.957 85 S CB -0.366 62.839 63.200 0.009 0.000 0.764 85 S HN 0.435 nan 8.310 nan 0.000 0.514 86 L N 1.521 122.756 121.223 0.020 0.000 3.096 86 L HA 0.453 4.793 4.340 -0.000 0.000 0.247 86 L C 0.184 177.074 176.870 0.033 0.000 1.321 86 L CA -0.258 54.597 54.840 0.026 0.000 1.044 86 L CB -0.004 42.085 42.059 0.050 0.000 1.434 86 L HN 0.090 nan 8.230 nan 0.000 0.533 87 R N -0.708 119.793 120.500 0.002 0.000 2.837 87 R HA 0.410 4.750 4.340 -0.000 0.000 0.271 87 R C -1.921 174.326 176.300 -0.089 0.000 0.993 87 R CA -1.773 54.324 56.100 -0.005 0.000 0.931 87 R CB 1.397 31.719 30.300 0.036 0.000 1.206 87 R HN -0.253 nan 8.270 nan 0.000 0.474 88 P HA -0.248 nan 4.420 nan 0.000 0.213 88 P C 0.419 177.655 177.300 -0.107 0.000 1.176 88 P CA 1.480 64.451 63.100 -0.215 0.000 0.919 88 P CB 0.272 31.831 31.700 -0.235 0.000 0.791 89 E N -0.324 119.842 120.200 -0.056 0.000 2.108 89 E HA -0.248 4.102 4.350 -0.000 0.000 0.203 89 E C 1.961 178.547 176.600 -0.023 0.000 1.022 89 E CA 1.332 57.715 56.400 -0.028 0.000 0.823 89 E CB -0.800 28.894 29.700 -0.009 0.000 0.744 89 E HN 0.115 nan 8.360 nan 0.000 0.456 90 K N 0.110 120.495 120.400 -0.025 0.000 2.074 90 K HA -0.109 4.211 4.320 -0.000 0.000 0.209 90 K C 2.166 178.756 176.600 -0.017 0.000 1.048 90 K CA 1.577 57.855 56.287 -0.015 0.000 0.926 90 K CB -0.841 31.651 32.500 -0.014 0.000 0.713 90 K HN 0.326 nan 8.250 nan 0.000 0.444 91 G N 1.311 110.089 108.800 -0.036 0.000 2.432 91 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 91 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 91 G C 1.513 176.403 174.900 -0.018 0.000 1.135 91 G CA 0.674 45.754 45.100 -0.033 0.000 0.767 91 G HN 0.285 nan 8.290 nan 0.000 0.550 92 L N 0.602 121.813 121.223 -0.019 0.000 1.988 92 L HA 0.153 4.492 4.340 -0.000 0.000 0.207 92 L C 2.741 179.616 176.870 0.009 0.000 1.071 92 L CA 1.378 56.214 54.840 -0.006 0.000 0.744 92 L CB -0.847 41.206 42.059 -0.011 0.000 0.893 92 L HN 0.209 nan 8.230 nan 0.000 0.433 93 L N -0.503 120.728 121.223 0.014 0.000 2.079 93 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 93 L C 2.514 179.404 176.870 0.034 0.000 1.081 93 L CA 1.225 56.084 54.840 0.032 0.000 0.752 93 L CB -1.496 40.586 42.059 0.039 0.000 0.896 93 L HN 0.486 nan 8.230 nan 0.000 0.433 94 G N 0.399 109.213 108.800 0.023 0.000 2.480 94 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 94 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 94 G C 1.544 176.459 174.900 0.024 0.000 1.200 94 G CA 0.832 45.945 45.100 0.022 0.000 0.782 94 G HN 0.211 nan 8.290 nan 0.000 0.554 95 L N 0.813 122.050 121.223 0.024 0.000 2.043 95 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 95 L C 2.737 179.635 176.870 0.046 0.000 1.075 95 L CA 2.339 57.200 54.840 0.035 0.000 0.752 95 L CB -0.632 41.450 42.059 0.038 0.000 0.891 95 L HN 0.284 nan 8.230 nan 0.000 0.432 96 R N -0.465 120.058 120.500 0.039 0.000 2.081 96 R HA -0.199 4.141 4.340 -0.000 0.000 0.235 96 R C 2.382 178.705 176.300 0.037 0.000 1.131 96 R CA 2.099 58.222 56.100 0.038 0.000 0.960 96 R CB -0.197 30.120 30.300 0.028 0.000 0.856 96 R HN 0.431 nan 8.270 nan 0.000 0.436 97 K N 0.813 121.233 120.400 0.035 0.000 2.025 97 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 97 K C 1.840 178.451 176.600 0.019 0.000 1.049 97 K CA 1.684 57.988 56.287 0.028 0.000 0.933 97 K CB -0.744 31.776 32.500 0.032 0.000 0.714 97 K HN 0.357 nan 8.250 nan 0.000 0.438 98 E N -0.229 119.980 120.200 0.016 0.000 2.118 98 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 98 E C 1.909 178.499 176.600 -0.017 0.000 0.992 98 E CA 1.571 57.972 56.400 0.001 0.000 0.804 98 E CB -0.077 29.625 29.700 0.004 0.000 0.741 98 E HN 0.456 nan 8.360 nan 0.000 0.458 99 M N -0.943 118.657 119.600 -0.001 0.000 2.619 99 M HA 0.193 4.673 4.480 -0.000 0.000 0.251 99 M C 1.094 177.377 176.300 -0.027 0.000 1.106 99 M CA 0.988 56.267 55.300 -0.036 0.000 1.086 99 M CB -0.829 31.828 32.600 0.095 0.000 1.465 99 M HN 0.205 nan 8.290 nan 0.000 0.506 100 G N 2.158 110.965 108.800 0.011 0.000 2.333 100 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.296 100 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.296 100 G C -0.349 174.595 174.900 0.074 0.000 1.059 100 G CA -0.164 44.963 45.100 0.045 0.000 1.050 100 G HN 0.458 nan 8.290 nan 0.000 0.508 101 L N -0.075 121.171 121.223 0.038 0.000 2.275 101 L HA 0.641 4.980 4.340 -0.000 0.000 0.288 101 L C 1.437 178.299 176.870 -0.013 0.000 1.046 101 L CA -1.097 53.708 54.840 -0.058 0.000 0.805 101 L CB 0.726 42.750 42.059 -0.058 0.000 1.193 101 L HN 0.325 nan 8.230 nan 0.000 0.426 102 F N 0.660 120.599 119.950 -0.017 0.000 2.712 102 F HA 0.584 5.111 4.527 -0.000 0.000 0.297 102 F C 0.762 176.556 175.800 -0.011 0.000 1.114 102 F CA -0.640 57.349 58.000 -0.018 0.000 1.305 102 F CB 0.027 39.020 39.000 -0.013 0.000 1.086 102 F HN 0.296 nan 8.300 nan 0.000 0.599 103 A N 1.527 124.116 122.820 -0.384 0.000 2.305 103 A HA 0.567 4.887 4.320 -0.000 0.000 0.322 103 A C -1.058 176.414 177.584 -0.187 0.000 1.187 103 A CA -0.483 51.437 52.037 -0.195 0.000 0.825 103 A CB 0.222 19.022 19.000 -0.333 0.000 1.164 103 A HN 0.471 nan 8.150 nan 0.000 0.498 104 N N 1.837 120.479 118.700 -0.097 0.000 2.399 104 N HA 0.552 5.292 4.740 -0.000 0.000 0.284 104 N C -1.383 174.065 175.510 -0.103 0.000 1.025 104 N CA -0.418 52.570 53.050 -0.103 0.000 0.885 104 N CB 0.796 39.259 38.487 -0.040 0.000 1.339 104 N HN 0.570 nan 8.380 nan 0.000 0.487 105 L N 2.566 123.703 121.223 -0.143 0.000 2.295 105 L HA 0.550 4.890 4.340 -0.000 0.000 0.285 105 L C 0.037 176.867 176.870 -0.067 0.000 1.035 105 L CA -0.881 53.884 54.840 -0.125 0.000 0.806 105 L CB 1.448 43.389 42.059 -0.197 0.000 1.214 105 L HN 0.511 nan 8.230 nan 0.000 0.426 106 R N 4.598 125.072 120.500 -0.043 0.000 2.487 106 R HA 0.444 4.784 4.340 -0.000 0.000 0.288 106 R C -2.794 173.501 176.300 -0.008 0.000 1.394 106 R CA -1.613 54.477 56.100 -0.017 0.000 1.155 106 R CB 1.014 31.304 30.300 -0.018 0.000 1.156 106 R HN 0.194 nan 8.270 nan 0.000 0.553 107 P HA 0.220 nan 4.420 nan 0.000 0.274 107 P C -1.122 176.183 177.300 0.008 0.000 1.237 107 P CA -0.520 62.595 63.100 0.025 0.000 0.793 107 P CB 1.217 32.958 31.700 0.069 0.000 0.977 108 V N 1.705 121.612 119.914 -0.012 0.000 2.577 108 V HA 0.319 4.439 4.120 -0.000 0.000 0.294 108 V C -0.347 175.704 176.094 -0.072 0.000 1.052 108 V CA -0.453 61.828 62.300 -0.033 0.000 0.891 108 V CB 1.459 33.266 31.823 -0.027 0.000 1.017 108 V HN 0.450 nan 8.190 nan 0.000 0.436 109 K N 3.329 123.637 120.400 -0.153 0.000 2.259 109 K HA 0.878 5.198 4.320 -0.000 0.000 0.249 109 K C -0.265 176.099 176.600 -0.393 0.000 0.942 109 K CA -0.530 55.594 56.287 -0.272 0.000 0.816 109 K CB 2.142 34.422 32.500 -0.367 0.000 1.155 109 K HN 0.764 nan 8.250 nan 0.000 0.428 110 A N 3.356 126.000 122.820 -0.294 0.000 2.309 110 A HA 0.356 4.676 4.320 -0.000 0.000 0.290 110 A C -1.470 175.975 177.584 -0.231 0.000 1.206 110 A CA -0.253 51.664 52.037 -0.199 0.000 0.850 110 A CB -0.035 18.921 19.000 -0.074 0.000 1.118 110 A HN 0.592 nan 8.150 nan 0.000 0.523 111 Y N 2.285 122.601 120.300 0.027 0.000 2.369 111 Y HA 0.427 4.977 4.550 -0.000 0.000 0.337 111 Y C 1.398 177.311 175.900 0.021 0.000 0.961 111 Y CA -0.410 57.705 58.100 0.025 0.000 1.186 111 Y CB 1.292 39.769 38.460 0.028 0.000 1.139 111 Y HN 0.854 nan 8.280 nan 0.000 0.494 112 A N 2.079 125.012 122.820 0.187 0.000 1.929 112 A HA -0.304 4.016 4.320 -0.000 0.000 0.221 112 A C 2.050 179.683 177.584 0.083 0.000 1.211 112 A CA 2.775 54.875 52.037 0.105 0.000 0.657 112 A CB -1.181 17.869 19.000 0.084 0.000 0.827 112 A HN 0.779 nan 8.150 nan 0.000 0.462 113 T N -2.597 112.006 114.554 0.082 0.000 3.215 113 T HA 0.354 4.704 4.350 -0.000 0.000 0.254 113 T C 1.067 175.798 174.700 0.052 0.000 1.149 113 T CA 0.942 63.070 62.100 0.046 0.000 1.042 113 T CB -0.135 68.745 68.868 0.020 0.000 0.966 113 T HN 0.327 nan 8.240 nan 0.000 0.534 114 L N -0.529 120.746 121.223 0.086 0.000 2.817 114 L HA 0.415 4.755 4.340 -0.000 0.000 0.248 114 L C 1.959 178.869 176.870 0.066 0.000 1.133 114 L CA -0.039 54.852 54.840 0.084 0.000 0.935 114 L CB 0.049 42.191 42.059 0.138 0.000 1.266 114 L HN 0.203 nan 8.230 nan 0.000 0.535 115 L N 1.206 122.464 121.223 0.059 0.000 2.187 115 L HA -0.229 4.111 4.340 -0.000 0.000 0.213 115 L C 2.326 179.214 176.870 0.031 0.000 1.100 115 L CA 1.333 56.198 54.840 0.042 0.000 0.765 115 L CB -0.701 41.379 42.059 0.036 0.000 0.904 115 L HN 0.579 nan 8.230 nan 0.000 0.437 116 N N 1.066 119.783 118.700 0.028 0.000 2.381 116 N HA -0.160 4.579 4.740 -0.000 0.000 0.182 116 N C 1.587 177.109 175.510 0.020 0.000 1.025 116 N CA 1.409 54.471 53.050 0.020 0.000 0.888 116 N CB -0.073 38.423 38.487 0.015 0.000 0.965 116 N HN 0.307 nan 8.380 nan 0.000 0.438 117 A N 0.377 123.213 122.820 0.026 0.000 2.132 117 A HA 0.084 4.404 4.320 -0.000 0.000 0.213 117 A C 1.225 178.824 177.584 0.026 0.000 1.154 117 A CA 0.038 52.091 52.037 0.026 0.000 0.753 117 A CB -0.275 18.744 19.000 0.032 0.000 0.826 117 A HN 0.357 nan 8.150 nan 0.000 0.469 118 S N 0.573 116.290 115.700 0.027 0.000 2.533 118 S HA 0.237 4.707 4.470 -0.000 0.000 0.282 118 S C -1.464 173.148 174.600 0.019 0.000 1.304 118 S CA -0.919 57.295 58.200 0.024 0.000 1.063 118 S CB 0.724 63.938 63.200 0.023 0.000 0.881 118 S HN 0.163 nan 8.310 nan 0.000 0.493 119 P HA 0.091 nan 4.420 nan 0.000 0.226 119 P C -0.353 176.955 177.300 0.013 0.000 1.153 119 P CA 0.765 63.873 63.100 0.014 0.000 0.777 119 P CB 0.063 31.771 31.700 0.013 0.000 0.794 120 L N -1.215 120.017 121.223 0.014 0.000 2.387 120 L HA 0.327 4.667 4.340 -0.000 0.000 0.266 120 L C 0.779 177.657 176.870 0.014 0.000 1.059 120 L CA -1.260 53.589 54.840 0.014 0.000 0.801 120 L CB 0.561 42.630 42.059 0.016 0.000 1.223 120 L HN -0.302 nan 8.230 nan 0.000 0.456 121 K N 0.536 120.944 120.400 0.013 0.000 2.355 121 K HA 0.064 4.384 4.320 -0.000 0.000 0.270 121 K C 0.922 177.529 176.600 0.013 0.000 1.003 121 K CA -0.127 56.167 56.287 0.012 0.000 0.957 121 K CB 1.108 33.614 32.500 0.010 0.000 0.939 121 K HN 0.495 nan 8.250 nan 0.000 0.482 122 R N 2.750 123.258 120.500 0.013 0.000 2.112 122 R HA -0.264 4.076 4.340 -0.000 0.000 0.242 122 R C 1.728 178.035 176.300 0.012 0.000 1.137 122 R CA 2.543 58.651 56.100 0.014 0.000 0.944 122 R CB -0.179 30.130 30.300 0.014 0.000 0.857 122 R HN 0.834 nan 8.270 nan 0.000 0.435 123 E N -0.117 120.089 120.200 0.010 0.000 2.233 123 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 123 E C 1.803 178.407 176.600 0.008 0.000 1.004 123 E CA 1.555 57.960 56.400 0.008 0.000 0.819 123 E CB -0.187 29.516 29.700 0.006 0.000 0.738 123 E HN 0.504 nan 8.360 nan 0.000 0.478 124 R N 0.279 120.785 120.500 0.011 0.000 2.087 124 R HA 0.113 4.453 4.340 -0.000 0.000 0.213 124 R C 2.538 178.848 176.300 0.017 0.000 1.137 124 R CA 0.761 56.868 56.100 0.013 0.000 1.022 124 R CB -0.377 29.933 30.300 0.016 0.000 0.920 124 R HN 0.055 nan 8.270 nan 0.000 0.451 125 V N 2.222 122.147 119.914 0.017 0.000 2.913 125 V HA -0.100 4.020 4.120 -0.000 0.000 0.260 125 V C 0.714 176.813 176.094 0.009 0.000 1.098 125 V CA 0.898 63.208 62.300 0.016 0.000 1.121 125 V CB -0.371 31.461 31.823 0.015 0.000 0.714 125 V HN 0.248 nan 8.190 nan 0.000 0.487 126 E N 0.592 120.797 120.200 0.010 0.000 2.414 126 E HA -0.044 4.306 4.350 -0.000 0.000 0.263 126 E C 0.763 177.365 176.600 0.003 0.000 1.000 126 E CA 0.512 56.916 56.400 0.008 0.000 0.914 126 E CB 0.125 29.831 29.700 0.010 0.000 0.948 126 E HN 0.584 nan 8.360 nan 0.000 0.444 127 N N 1.029 119.727 118.700 -0.003 0.000 2.972 127 N HA -0.187 4.553 4.740 -0.000 0.000 0.225 127 N C -0.548 174.956 175.510 -0.010 0.000 0.883 127 N CA 0.814 53.861 53.050 -0.007 0.000 1.010 127 N CB -1.278 37.208 38.487 -0.002 0.000 1.052 127 N HN 0.259 nan 8.380 nan 0.000 0.598 128 V N 2.061 121.969 119.914 -0.010 0.000 2.509 128 V HA 0.037 4.157 4.120 -0.000 0.000 0.297 128 V C 0.662 176.739 176.094 -0.029 0.000 1.014 128 V CA 1.028 63.327 62.300 -0.001 0.000 1.127 128 V CB 0.902 32.725 31.823 -0.000 0.000 0.925 128 V HN 0.221 nan 8.190 nan 0.000 0.480 129 D N 4.280 124.678 120.400 -0.003 0.000 2.978 129 D HA 0.349 4.989 4.640 -0.000 0.000 0.268 129 D C -0.778 175.534 176.300 0.020 0.000 1.252 129 D CA -0.464 53.527 54.000 -0.014 0.000 0.771 129 D CB 0.359 41.150 40.800 -0.015 0.000 1.361 129 D HN 0.331 nan 8.370 nan 0.000 0.558 130 L N -1.073 120.165 121.223 0.024 0.000 2.298 130 L HA 0.945 5.285 4.340 -0.000 0.000 0.268 130 L C -0.749 176.130 176.870 0.014 0.000 1.010 130 L CA -1.132 53.732 54.840 0.039 0.000 0.812 130 L CB 1.484 43.583 42.059 0.067 0.000 1.331 130 L HN -0.132 nan 8.230 nan 0.000 0.450 131 V N 1.333 121.249 119.914 0.004 0.000 2.668 131 V HA 0.484 4.604 4.120 -0.000 0.000 0.304 131 V C -0.389 175.678 176.094 -0.045 0.000 1.071 131 V CA -0.293 61.999 62.300 -0.014 0.000 0.894 131 V CB 1.665 33.484 31.823 -0.007 0.000 1.008 131 V HN 0.676 nan 8.190 nan 0.000 0.425 132 I N 4.581 125.118 120.570 -0.056 0.000 2.336 132 I HA 0.481 4.651 4.170 -0.000 0.000 0.292 132 I C -0.490 175.593 176.117 -0.056 0.000 0.991 132 I CA -0.785 60.475 61.300 -0.067 0.000 1.227 132 I CB 1.909 39.864 38.000 -0.075 0.000 1.366 132 I HN 0.306 nan 8.210 nan 0.000 0.466 133 V N 6.972 126.859 119.914 -0.044 0.000 2.398 133 V HA 0.484 4.604 4.120 -0.000 0.000 0.286 133 V C 0.048 176.157 176.094 0.025 0.000 1.026 133 V CA -0.695 61.589 62.300 -0.027 0.000 0.868 133 V CB 1.503 33.311 31.823 -0.025 0.000 0.982 133 V HN 0.721 nan 8.190 nan 0.000 0.443 134 R N 2.838 123.359 120.500 0.035 0.000 2.670 134 R HA 0.415 4.754 4.340 -0.000 0.000 0.289 134 R C -0.573 175.803 176.300 0.126 0.000 0.965 134 R CA -0.689 55.454 56.100 0.071 0.000 0.899 134 R CB 1.697 32.026 30.300 0.048 0.000 1.173 134 R HN 0.681 nan 8.270 nan 0.000 0.456 135 E N 4.984 125.291 120.200 0.178 0.000 2.166 135 E HA 0.037 4.387 4.350 -0.000 0.000 0.279 135 E C 0.449 177.165 176.600 0.192 0.000 1.095 135 E CA 0.115 56.663 56.400 0.248 0.000 0.888 135 E CB 0.921 30.828 29.700 0.345 0.000 1.041 135 E HN 0.666 nan 8.360 nan 0.000 0.414 136 L N 2.900 124.224 121.223 0.168 0.000 2.249 136 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 136 L C 2.260 179.115 176.870 -0.025 0.000 1.090 136 L CA 1.155 56.059 54.840 0.107 0.000 0.802 136 L CB -0.349 41.761 42.059 0.084 0.000 0.947 136 L HN 0.511 nan 8.230 nan 0.000 0.453 137 T N -1.938 112.581 114.554 -0.059 0.000 2.623 137 T HA 0.052 4.402 4.350 -0.000 0.000 0.254 137 T C 1.218 175.561 174.700 -0.595 0.000 1.075 137 T CA 0.597 62.504 62.100 -0.322 0.000 1.177 137 T CB -0.869 67.912 68.868 -0.143 0.000 0.869 137 T HN 0.238 nan 8.240 nan 0.000 0.403 138 G N 0.028 108.638 108.800 -0.317 0.000 2.509 138 G HA2 0.559 4.519 3.960 -0.000 0.000 0.269 138 G HA3 0.559 4.519 3.960 -0.000 0.000 0.269 138 G C 0.321 174.870 174.900 -0.585 0.000 1.416 138 G CA -0.325 44.453 45.100 -0.538 0.000 1.052 138 G HN 1.363 nan 8.290 nan 0.000 0.542 139 G N -2.392 105.833 108.800 -0.958 0.000 2.353 139 G HA2 0.183 4.143 3.960 -0.000 0.000 0.615 139 G HA3 0.183 4.143 3.960 -0.000 0.000 0.615 139 G C 0.390 175.146 174.900 -0.241 0.000 1.280 139 G CA 0.103 44.863 45.100 -0.567 0.000 1.000 139 G HN 1.422 nan 8.290 nan 0.000 0.516 140 L N -0.289 120.806 121.223 -0.214 0.000 2.353 140 L HA 0.149 4.489 4.340 -0.000 0.000 0.220 140 L C 2.413 179.331 176.870 0.079 0.000 1.133 140 L CA 2.006 56.789 54.840 -0.095 0.000 0.798 140 L CB -0.557 41.416 42.059 -0.143 0.000 0.922 140 L HN 0.615 nan 8.230 nan 0.000 0.445 141 Y N -1.158 119.122 120.300 -0.033 0.000 2.184 141 Y HA -0.072 4.478 4.550 -0.000 0.000 0.290 141 Y C 2.048 177.800 175.900 -0.247 0.000 1.129 141 Y CA 0.995 59.014 58.100 -0.134 0.000 1.144 141 Y CB -0.929 37.446 38.460 -0.141 0.000 0.995 141 Y HN 0.159 nan 8.280 nan 0.000 0.513 142 F N -0.710 119.273 119.950 0.055 0.000 2.749 142 F HA 0.345 4.872 4.527 -0.000 0.000 0.300 142 F C 1.662 177.437 175.800 -0.043 0.000 1.103 142 F CA -0.429 57.568 58.000 -0.006 0.000 1.342 142 F CB -0.585 38.398 39.000 -0.027 0.000 1.098 142 F HN -0.169 nan 8.300 nan 0.000 0.586 143 G N 1.244 110.105 108.800 0.101 0.000 2.365 143 G HA2 0.338 4.297 3.960 -0.000 0.000 0.249 143 G HA3 0.338 4.297 3.960 -0.000 0.000 0.249 143 G C -0.343 174.567 174.900 0.017 0.000 1.288 143 G CA -0.284 44.831 45.100 0.026 0.000 0.887 143 G HN 0.143 nan 8.290 nan 0.000 0.524 144 R N 2.602 123.110 120.500 0.013 0.000 2.668 144 R HA 0.559 4.899 4.340 -0.000 0.000 0.279 144 R C -2.087 174.214 176.300 0.003 0.000 0.976 144 R CA -1.592 54.512 56.100 0.006 0.000 0.978 144 R CB 1.615 31.921 30.300 0.009 0.000 1.133 144 R HN 0.401 nan 8.270 nan 0.000 0.484 145 P HA 0.136 nan 4.420 nan 0.000 0.278 145 P C -1.295 176.002 177.300 -0.006 0.000 1.238 145 P CA -0.373 62.725 63.100 -0.002 0.000 0.794 145 P CB 1.663 33.362 31.700 -0.002 0.000 0.955 146 S N 1.263 116.956 115.700 -0.011 0.000 2.746 146 S HA 0.435 4.905 4.470 -0.000 0.000 0.273 146 S C -0.784 173.806 174.600 -0.017 0.000 1.172 146 S CA -0.484 57.706 58.200 -0.016 0.000 1.116 146 S CB 0.072 63.256 63.200 -0.027 0.000 1.057 146 S HN 0.659 nan 8.310 nan 0.000 0.483 147 E N 3.193 123.384 120.200 -0.014 0.000 2.429 147 E HA 0.426 4.776 4.350 -0.000 0.000 0.277 147 E C -1.490 175.103 176.600 -0.011 0.000 1.130 147 E CA -1.213 55.179 56.400 -0.013 0.000 0.875 147 E CB 0.912 30.606 29.700 -0.010 0.000 1.443 147 E HN 0.483 nan 8.360 nan 0.000 0.444 148 R N 0.157 120.650 120.500 -0.010 0.000 2.787 148 R HA 0.746 5.086 4.340 -0.000 0.000 0.271 148 R C -0.162 176.134 176.300 -0.006 0.000 0.993 148 R CA -0.763 55.332 56.100 -0.008 0.000 0.993 148 R CB 1.976 32.270 30.300 -0.009 0.000 1.155 148 R HN 0.514 nan 8.270 nan 0.000 0.486 149 R N -1.271 119.226 120.500 -0.005 0.000 3.015 149 R HA 0.642 4.982 4.340 -0.000 0.000 0.258 149 R C -0.101 176.197 176.300 -0.003 0.000 1.172 149 R CA -0.250 55.848 56.100 -0.004 0.000 1.003 149 R CB 1.561 31.860 30.300 -0.003 0.000 1.326 149 R HN 0.753 nan 8.270 nan 0.000 0.449 150 G N -0.120 108.678 108.800 -0.002 0.000 2.313 150 G HA2 0.034 3.994 3.960 -0.000 0.000 0.098 150 G HA3 0.034 3.994 3.960 -0.000 0.000 0.098 150 G C -2.067 172.832 174.900 -0.002 0.000 1.736 150 G CA -0.505 44.594 45.100 -0.002 0.000 1.073 150 G HN 0.440 nan 8.290 nan 0.000 0.293 151 P HA 0.483 nan 4.420 nan 0.000 0.302 151 P C 1.010 178.309 177.300 -0.002 0.000 1.301 151 P CA 1.281 64.379 63.100 -0.002 0.000 0.745 151 P CB -0.152 31.547 31.700 -0.002 0.000 1.331 152 G N -1.117 107.681 108.800 -0.003 0.000 2.153 152 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.252 152 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.252 152 G C 0.017 174.915 174.900 -0.004 0.000 0.994 152 G CA 0.427 45.525 45.100 -0.003 0.000 0.698 152 G HN 0.677 nan 8.290 nan 0.000 0.521 153 E N -1.390 118.808 120.200 -0.004 0.000 2.228 153 E HA -0.224 4.125 4.350 -0.000 0.000 0.213 153 E C 0.950 177.547 176.600 -0.004 0.000 1.282 153 E CA 0.505 56.903 56.400 -0.005 0.000 0.707 153 E CB -0.827 28.869 29.700 -0.006 0.000 1.150 153 E HN 0.595 nan 8.360 nan 0.000 0.362 154 N N 0.591 119.290 118.700 -0.003 0.000 2.422 154 N HA -0.028 4.712 4.740 -0.000 0.000 0.181 154 N C 0.245 175.753 175.510 -0.002 0.000 1.080 154 N CA 0.607 53.656 53.050 -0.002 0.000 0.893 154 N CB 0.413 38.899 38.487 -0.002 0.000 0.973 154 N HN 0.492 nan 8.380 nan 0.000 0.456 155 E N 0.493 120.692 120.200 -0.003 0.000 2.292 155 E HA 0.382 4.732 4.350 -0.000 0.000 0.272 155 E C -1.783 174.815 176.600 -0.003 0.000 0.881 155 E CA -0.526 55.873 56.400 -0.002 0.000 0.754 155 E CB 2.523 32.222 29.700 -0.001 0.000 1.201 155 E HN -0.216 nan 8.360 nan 0.000 0.425 156 V N 4.490 124.402 119.914 -0.003 0.000 2.876 156 V HA 0.802 4.922 4.120 -0.000 0.000 0.312 156 V C -1.243 174.849 176.094 -0.004 0.000 1.085 156 V CA -0.337 61.960 62.300 -0.005 0.000 0.945 156 V CB 1.854 33.673 31.823 -0.007 0.000 1.017 156 V HN 0.567 nan 8.190 nan 0.000 0.428 157 V N 2.088 121.999 119.914 -0.005 0.000 3.087 157 V HA 0.790 4.910 4.120 -0.000 0.000 0.306 157 V C -1.389 174.702 176.094 -0.005 0.000 1.187 157 V CA -0.625 61.673 62.300 -0.003 0.000 0.999 157 V CB 2.279 34.101 31.823 -0.002 0.000 1.049 157 V HN 0.873 nan 8.190 nan 0.000 0.431 158 D N 0.988 121.386 120.400 -0.004 0.000 2.601 158 D HA 0.648 5.288 4.640 -0.000 0.000 0.230 158 D C -1.121 175.177 176.300 -0.003 0.000 1.106 158 D CA -0.241 53.757 54.000 -0.004 0.000 0.873 158 D CB 2.690 43.490 40.800 -0.000 0.000 1.515 158 D HN 0.786 nan 8.370 nan 0.000 0.468 159 T N 1.372 115.924 114.554 -0.003 0.000 2.841 159 T HA 0.253 4.603 4.350 -0.000 0.000 0.285 159 T C -0.453 174.236 174.700 -0.018 0.000 0.991 159 T CA -0.550 61.547 62.100 -0.006 0.000 0.966 159 T CB 1.172 70.038 68.868 -0.003 0.000 0.962 159 T HN 0.090 nan 8.240 nan 0.000 0.438 160 L N 4.309 125.518 121.223 -0.022 0.000 2.282 160 L HA 0.735 5.075 4.340 -0.000 0.000 0.287 160 L C -0.290 176.566 176.870 -0.024 0.000 1.075 160 L CA -0.641 54.174 54.840 -0.042 0.000 0.839 160 L CB -0.652 41.388 42.059 -0.032 0.000 1.219 160 L HN 0.750 nan 8.230 nan 0.000 0.434 161 A N 5.139 127.906 122.820 -0.088 0.000 2.311 161 A HA 0.672 4.992 4.320 -0.000 0.000 0.306 161 A C -1.649 175.832 177.584 -0.172 0.000 1.189 161 A CA -0.357 51.640 52.037 -0.067 0.000 0.791 161 A CB 0.450 19.422 19.000 -0.047 0.000 1.172 161 A HN 0.595 nan 8.150 nan 0.000 0.481 162 Y N 0.629 120.944 120.300 0.025 0.000 2.462 162 Y HA 0.589 5.139 4.550 -0.000 0.000 0.346 162 Y C 0.888 176.797 175.900 0.015 0.000 0.976 162 Y CA -0.297 57.820 58.100 0.028 0.000 1.044 162 Y CB 2.501 41.003 38.460 0.070 0.000 1.230 162 Y HN 0.757 nan 8.280 nan 0.000 0.455 163 T N -0.596 114.084 114.554 0.209 0.000 2.928 163 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 163 T C 1.119 175.864 174.700 0.075 0.000 1.008 163 T CA -0.808 61.350 62.100 0.096 0.000 1.057 163 T CB 1.618 70.508 68.868 0.037 0.000 1.018 163 T HN 0.806 nan 8.240 nan 0.000 0.493 164 R N 0.687 121.203 120.500 0.026 0.000 2.117 164 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 164 R C 2.254 178.518 176.300 -0.060 0.000 1.143 164 R CA 2.169 58.259 56.100 -0.017 0.000 0.968 164 R CB -0.291 29.996 30.300 -0.022 0.000 0.863 164 R HN 0.955 nan 8.270 nan 0.000 0.444 165 E N 0.406 120.572 120.200 -0.056 0.000 2.051 165 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 165 E C 1.594 178.107 176.600 -0.145 0.000 0.991 165 E CA 1.605 57.946 56.400 -0.099 0.000 0.799 165 E CB 0.013 29.661 29.700 -0.086 0.000 0.748 165 E HN 0.451 nan 8.360 nan 0.000 0.449 166 E N 0.157 120.307 120.200 -0.083 0.000 2.171 166 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 166 E C 2.126 178.642 176.600 -0.140 0.000 0.997 166 E CA 1.405 57.763 56.400 -0.070 0.000 0.810 166 E CB -0.114 29.689 29.700 0.171 0.000 0.738 166 E HN 0.463 nan 8.360 nan 0.000 0.467 167 I N 0.578 121.041 120.570 -0.179 0.000 2.480 167 I HA -0.157 4.013 4.170 -0.000 0.000 0.251 167 I C 2.188 178.044 176.117 -0.435 0.000 1.124 167 I CA 0.721 61.784 61.300 -0.394 0.000 1.444 167 I CB -0.183 37.600 38.000 -0.363 0.000 1.098 167 I HN 0.055 nan 8.210 nan 0.000 0.428 168 E N 1.501 121.529 120.200 -0.285 0.000 2.015 168 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 168 E C 2.285 178.755 176.600 -0.216 0.000 0.991 168 E CA 1.384 57.646 56.400 -0.230 0.000 0.802 168 E CB -0.169 29.438 29.700 -0.156 0.000 0.759 168 E HN 0.498 nan 8.360 nan 0.000 0.447 169 R N 1.093 121.430 120.500 -0.272 0.000 2.103 169 R HA -0.162 4.177 4.340 -0.000 0.000 0.242 169 R C 2.346 178.547 176.300 -0.165 0.000 1.142 169 R CA 1.663 57.575 56.100 -0.314 0.000 0.960 169 R CB -0.811 29.068 30.300 -0.701 0.000 0.858 169 R HN 0.234 nan 8.270 nan 0.000 0.439 170 I N 1.052 121.507 120.570 -0.193 0.000 2.193 170 I HA -0.178 3.992 4.170 -0.000 0.000 0.240 170 I C 2.245 178.356 176.117 -0.010 0.000 1.084 170 I CA 1.328 62.675 61.300 0.078 0.000 1.365 170 I CB 0.027 38.085 38.000 0.097 0.000 1.064 170 I HN 0.171 nan 8.210 nan 0.000 0.410 171 I N 1.404 121.860 120.570 -0.190 0.000 2.567 171 I HA -0.248 3.922 4.170 -0.000 0.000 0.257 171 I C 2.913 179.069 176.117 0.065 0.000 1.184 171 I CA 1.360 62.577 61.300 -0.138 0.000 1.451 171 I CB -1.014 36.813 38.000 -0.289 0.000 1.089 171 I HN 0.402 nan 8.210 nan 0.000 0.441 172 E N 1.581 121.798 120.200 0.029 0.000 2.016 172 E HA -0.266 4.084 4.350 -0.000 0.000 0.190 172 E C 2.111 178.720 176.600 0.015 0.000 0.985 172 E CA 1.533 57.965 56.400 0.053 0.000 0.802 172 E CB -0.461 29.277 29.700 0.063 0.000 0.762 172 E HN 0.263 nan 8.360 nan 0.000 0.448 173 K N 0.297 120.735 120.400 0.063 0.000 2.103 173 K HA 0.021 4.341 4.320 -0.000 0.000 0.207 173 K C 2.239 178.808 176.600 -0.052 0.000 1.048 173 K CA 1.521 57.826 56.287 0.030 0.000 0.930 173 K CB -0.666 31.883 32.500 0.080 0.000 0.716 173 K HN 0.400 nan 8.250 nan 0.000 0.444 174 A N -0.244 122.541 122.820 -0.058 0.000 1.865 174 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 174 A C 2.145 179.589 177.584 -0.232 0.000 1.191 174 A CA 1.740 53.690 52.037 -0.145 0.000 0.623 174 A CB -0.981 17.922 19.000 -0.162 0.000 0.826 174 A HN 0.330 nan 8.150 nan 0.000 0.444 175 F N 0.230 120.001 119.950 -0.298 0.000 2.095 175 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 175 F C 2.833 178.373 175.800 -0.434 0.000 1.104 175 F CA 2.166 59.882 58.000 -0.473 0.000 1.232 175 F CB -0.529 37.880 39.000 -0.986 0.000 0.987 175 F HN 0.312 nan 8.300 nan 0.000 0.475 176 Q N -0.126 119.540 119.800 -0.223 0.000 2.181 176 Q HA -0.196 4.143 4.340 -0.000 0.000 0.205 176 Q C 2.265 178.264 176.000 -0.000 0.000 0.980 176 Q CA 1.400 57.163 55.803 -0.066 0.000 0.862 176 Q CB -0.327 28.413 28.738 0.002 0.000 0.905 176 Q HN 0.481 nan 8.270 nan 0.000 0.429 177 L N -0.093 121.103 121.223 -0.045 0.000 2.007 177 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 177 L C 2.555 179.432 176.870 0.012 0.000 1.073 177 L CA 0.882 55.712 54.840 -0.017 0.000 0.744 177 L CB -0.740 41.245 42.059 -0.123 0.000 0.898 177 L HN 0.173 nan 8.230 nan 0.000 0.435 178 A N -0.472 122.317 122.820 -0.051 0.000 2.032 178 A HA -0.302 4.018 4.320 -0.000 0.000 0.221 178 A C 2.240 179.837 177.584 0.021 0.000 1.165 178 A CA 1.948 53.963 52.037 -0.037 0.000 0.645 178 A CB -0.622 18.306 19.000 -0.120 0.000 0.807 178 A HN 0.530 nan 8.150 nan 0.000 0.453 179 Q N -0.246 119.581 119.800 0.045 0.000 2.167 179 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 179 Q C 1.776 177.829 176.000 0.089 0.000 0.970 179 Q CA 1.598 57.457 55.803 0.094 0.000 0.855 179 Q CB -0.262 28.559 28.738 0.139 0.000 0.911 179 Q HN 0.907 nan 8.270 nan 0.000 0.438 180 I N -2.864 117.762 120.570 0.094 0.000 3.793 180 I HA 0.162 4.332 4.170 -0.000 0.000 0.315 180 I C 0.732 176.900 176.117 0.086 0.000 1.275 180 I CA -0.194 61.164 61.300 0.095 0.000 1.214 180 I CB 0.203 38.276 38.000 0.121 0.000 1.018 180 I HN -0.022 nan 8.210 nan 0.000 0.439 181 R N 1.137 121.685 120.500 0.079 0.000 2.647 181 R HA 0.472 4.812 4.340 -0.000 0.000 0.124 181 R C 0.697 177.024 176.300 0.046 0.000 1.294 181 R CA -0.818 55.321 56.100 0.066 0.000 1.060 181 R CB 0.101 30.445 30.300 0.073 0.000 1.282 181 R HN 0.028 nan 8.270 nan 0.000 0.430 182 R N 1.349 121.870 120.500 0.035 0.000 2.363 182 R HA 0.112 4.451 4.340 -0.000 0.000 0.236 182 R C -0.474 175.840 176.300 0.023 0.000 0.966 182 R CA 0.097 56.213 56.100 0.026 0.000 1.100 182 R CB -0.088 30.223 30.300 0.017 0.000 1.125 182 R HN 0.362 nan 8.270 nan 0.000 0.514 183 K N 1.325 121.743 120.400 0.029 0.000 3.451 183 K HA -0.221 4.099 4.320 -0.000 0.000 0.273 183 K C -0.985 175.624 176.600 0.015 0.000 0.944 183 K CA 1.029 57.336 56.287 0.034 0.000 0.734 183 K CB -0.938 31.595 32.500 0.056 0.000 1.437 183 K HN 0.215 nan 8.250 nan 0.000 0.454 184 K N 0.857 121.248 120.400 -0.015 0.000 2.581 184 K HA 0.405 4.725 4.320 -0.000 0.000 0.249 184 K C -1.454 175.100 176.600 -0.077 0.000 0.966 184 K CA -0.959 55.307 56.287 -0.035 0.000 0.811 184 K CB 1.568 34.053 32.500 -0.025 0.000 1.223 184 K HN 0.032 nan 8.250 nan 0.000 0.438 185 L N 2.052 123.195 121.223 -0.134 0.000 2.386 185 L HA 0.729 5.069 4.340 -0.000 0.000 0.271 185 L C -1.413 175.361 176.870 -0.160 0.000 0.993 185 L CA -0.380 54.334 54.840 -0.210 0.000 0.819 185 L CB 1.929 43.699 42.059 -0.481 0.000 1.294 185 L HN 0.730 nan 8.230 nan 0.000 0.414 186 A N 2.980 125.746 122.820 -0.090 0.000 2.293 186 A HA 0.604 4.924 4.320 -0.000 0.000 0.312 186 A C -0.440 177.118 177.584 -0.044 0.000 1.309 186 A CA -0.349 51.667 52.037 -0.035 0.000 0.839 186 A CB 0.653 19.729 19.000 0.127 0.000 1.155 186 A HN 0.723 nan 8.150 nan 0.000 0.501 187 S N 2.763 118.407 115.700 -0.092 0.000 2.422 187 S HA 0.443 4.913 4.470 -0.000 0.000 0.283 187 S C -0.188 174.459 174.600 0.078 0.000 1.163 187 S CA -0.297 57.943 58.200 0.066 0.000 1.054 187 S CB -0.282 62.966 63.200 0.080 0.000 0.967 187 S HN 0.617 nan 8.310 nan 0.000 0.499 188 V N 6.151 126.069 119.914 0.007 0.000 2.427 188 V HA 0.589 4.709 4.120 -0.000 0.000 0.286 188 V C -0.145 175.801 176.094 -0.246 0.000 1.034 188 V CA -0.539 61.700 62.300 -0.100 0.000 0.893 188 V CB 1.351 33.086 31.823 -0.147 0.000 0.982 188 V HN 1.032 nan 8.190 nan 0.000 0.452 189 D N 3.449 123.707 120.400 -0.236 0.000 2.946 189 D HA 0.456 5.096 4.640 -0.000 0.000 0.337 189 D C -0.628 175.521 176.300 -0.253 0.000 1.332 189 D CA -0.841 52.992 54.000 -0.280 0.000 0.935 189 D CB 1.311 41.988 40.800 -0.205 0.000 1.440 189 D HN 0.216 nan 8.370 nan 0.000 0.540 190 K N -0.812 119.519 120.400 -0.114 0.000 3.239 190 K HA 0.641 4.961 4.320 -0.000 0.000 0.204 190 K C 0.530 177.131 176.600 0.002 0.000 1.126 190 K CA 0.056 56.298 56.287 -0.075 0.000 0.948 190 K CB 0.147 32.654 32.500 0.011 0.000 0.818 190 K HN 0.502 nan 8.250 nan 0.000 0.480 191 A N 0.714 123.533 122.820 -0.002 0.000 2.084 191 A HA -0.247 4.073 4.320 -0.000 0.000 0.221 191 A C 1.546 179.136 177.584 0.011 0.000 1.161 191 A CA 1.943 53.991 52.037 0.017 0.000 0.653 191 A CB -0.921 18.086 19.000 0.010 0.000 0.802 191 A HN 0.803 nan 8.150 nan 0.000 0.457 192 N N -1.504 117.196 118.700 0.001 0.000 2.459 192 N HA -0.002 4.738 4.740 -0.000 0.000 0.181 192 N C 0.963 176.480 175.510 0.011 0.000 1.046 192 N CA 1.159 54.210 53.050 0.002 0.000 0.904 192 N CB 0.066 38.549 38.487 -0.006 0.000 0.964 192 N HN 0.247 nan 8.380 nan 0.000 0.444 193 V N 0.352 120.280 119.914 0.022 0.000 3.279 193 V HA 0.179 4.299 4.120 -0.000 0.000 0.213 193 V C 0.654 176.773 176.094 0.043 0.000 1.335 193 V CA -0.225 62.093 62.300 0.031 0.000 1.317 193 V CB 0.115 31.959 31.823 0.036 0.000 1.209 193 V HN 0.119 nan 8.190 nan 0.000 0.525 194 L N 1.634 122.893 121.223 0.060 0.000 2.453 194 L HA 0.172 4.512 4.340 -0.000 0.000 0.272 194 L C 1.571 178.479 176.870 0.064 0.000 1.182 194 L CA 0.275 55.156 54.840 0.068 0.000 0.858 194 L CB 0.482 42.598 42.059 0.095 0.000 1.120 194 L HN 0.301 nan 8.230 nan 0.000 0.474 195 E N 1.414 121.650 120.200 0.061 0.000 2.112 195 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 195 E C 1.986 178.636 176.600 0.083 0.000 0.979 195 E CA 1.455 57.892 56.400 0.061 0.000 0.814 195 E CB 0.169 29.899 29.700 0.051 0.000 0.762 195 E HN 0.745 nan 8.360 nan 0.000 0.460 196 S N -0.631 115.129 115.700 0.099 0.000 2.383 196 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 196 S C 2.240 176.933 174.600 0.154 0.000 1.030 196 S CA 1.326 59.609 58.200 0.138 0.000 1.002 196 S CB -0.565 62.734 63.200 0.166 0.000 0.829 196 S HN 0.142 nan 8.310 nan 0.000 0.467 197 S N 2.054 117.826 115.700 0.120 0.000 2.356 197 S HA -0.028 4.442 4.470 -0.000 0.000 0.223 197 S C 2.092 176.786 174.600 0.155 0.000 1.032 197 S CA 1.139 59.410 58.200 0.117 0.000 1.005 197 S CB -0.319 62.925 63.200 0.073 0.000 0.867 197 S HN 0.548 nan 8.310 nan 0.000 0.449 198 R N 0.610 121.172 120.500 0.104 0.000 2.091 198 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 198 R C 2.478 178.837 176.300 0.098 0.000 1.136 198 R CA 1.597 57.745 56.100 0.080 0.000 0.959 198 R CB -0.378 29.952 30.300 0.050 0.000 0.856 198 R HN 0.427 nan 8.270 nan 0.000 0.437 199 M N 0.057 119.725 119.600 0.114 0.000 2.132 199 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 199 M C 2.034 178.409 176.300 0.124 0.000 1.065 199 M CA 1.567 56.925 55.300 0.096 0.000 1.122 199 M CB -0.232 32.422 32.600 0.089 0.000 1.365 199 M HN 0.346 nan 8.290 nan 0.000 0.411 200 W N 1.445 122.734 121.300 -0.018 0.000 2.333 200 W HA -0.266 4.394 4.660 -0.000 0.000 0.316 200 W C 2.301 178.843 176.519 0.038 0.000 1.215 200 W CA 2.056 59.389 57.345 -0.021 0.000 1.278 200 W CB -0.814 28.623 29.460 -0.038 0.000 1.154 200 W HN 0.294 nan 8.180 nan 0.000 0.486 201 R N 0.632 121.365 120.500 0.389 0.000 2.105 201 R HA -0.203 4.137 4.340 -0.000 0.000 0.239 201 R C 2.300 178.667 176.300 0.112 0.000 1.135 201 R CA 2.247 58.501 56.100 0.256 0.000 0.967 201 R CB -0.423 29.893 30.300 0.027 0.000 0.861 201 R HN 0.253 nan 8.270 nan 0.000 0.442 202 E N 0.162 120.399 120.200 0.061 0.000 2.031 202 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 202 E C 2.043 178.655 176.600 0.019 0.000 0.994 202 E CA 1.722 58.138 56.400 0.026 0.000 0.800 202 E CB -0.181 29.528 29.700 0.015 0.000 0.752 202 E HN 0.410 nan 8.360 nan 0.000 0.447 203 I N 1.279 121.836 120.570 -0.022 0.000 2.335 203 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 203 I C 2.557 178.644 176.117 -0.051 0.000 1.129 203 I CA 0.827 62.080 61.300 -0.078 0.000 1.402 203 I CB -0.398 37.496 38.000 -0.175 0.000 1.069 203 I HN 0.087 nan 8.210 nan 0.000 0.424 204 A N 0.636 123.454 122.820 -0.003 0.000 1.858 204 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 204 A C 2.230 179.949 177.584 0.225 0.000 1.190 204 A CA 1.993 54.117 52.037 0.144 0.000 0.617 204 A CB -0.608 18.573 19.000 0.302 0.000 0.827 204 A HN 0.340 nan 8.150 nan 0.000 0.443 205 E N -0.540 119.790 120.200 0.218 0.000 2.085 205 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 205 E C 2.321 178.962 176.600 0.069 0.000 0.994 205 E CA 2.112 58.616 56.400 0.174 0.000 0.801 205 E CB -0.332 29.441 29.700 0.121 0.000 0.743 205 E HN 0.689 nan 8.360 nan 0.000 0.453 206 E N -0.419 119.794 120.200 0.022 0.000 2.017 206 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 206 E C 2.189 178.743 176.600 -0.077 0.000 0.997 206 E CA 1.928 58.312 56.400 -0.027 0.000 0.804 206 E CB -1.539 28.139 29.700 -0.036 0.000 0.757 206 E HN 0.348 nan 8.360 nan 0.000 0.448 207 T N 0.461 114.956 114.554 -0.099 0.000 2.849 207 T HA 0.034 4.383 4.350 -0.000 0.000 0.270 207 T C 2.298 176.728 174.700 -0.450 0.000 1.066 207 T CA 1.459 63.433 62.100 -0.209 0.000 1.130 207 T CB -0.449 68.317 68.868 -0.171 0.000 0.864 207 T HN 0.616 nan 8.240 nan 0.000 0.481 208 A N 1.796 124.402 122.820 -0.357 0.000 1.908 208 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 208 A C 2.618 180.102 177.584 -0.167 0.000 1.181 208 A CA 2.491 54.357 52.037 -0.285 0.000 0.627 208 A CB -1.184 17.883 19.000 0.113 0.000 0.818 208 A HN 0.574 nan 8.150 nan 0.000 0.445 209 K N -0.931 119.397 120.400 -0.121 0.000 2.152 209 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 209 K C 2.254 178.750 176.600 -0.173 0.000 1.048 209 K CA 2.595 58.821 56.287 -0.103 0.000 0.933 209 K CB -1.524 30.927 32.500 -0.082 0.000 0.721 209 K HN 0.825 nan 8.250 nan 0.000 0.447 210 K N -0.438 119.796 120.400 -0.276 0.000 2.296 210 K HA 0.093 4.413 4.320 -0.000 0.000 0.200 210 K C 0.564 176.728 176.600 -0.727 0.000 1.048 210 K CA 1.071 57.068 56.287 -0.484 0.000 0.966 210 K CB -0.275 31.886 32.500 -0.564 0.000 0.754 210 K HN 0.705 nan 8.250 nan 0.000 0.466 211 Y N 0.344 120.487 120.300 -0.261 0.000 2.658 211 Y HA 0.226 4.776 4.550 -0.000 0.000 0.362 211 Y C -1.807 174.074 175.900 -0.032 0.000 1.017 211 Y CA -2.521 55.500 58.100 -0.131 0.000 1.134 211 Y CB 1.694 40.080 38.460 -0.125 0.000 1.144 211 Y HN 0.058 nan 8.280 nan 0.000 0.655 212 P HA -0.156 nan 4.420 nan 0.000 0.225 212 P C 0.488 177.843 177.300 0.092 0.000 1.148 212 P CA 1.441 64.575 63.100 0.055 0.000 0.779 212 P CB 0.426 32.130 31.700 0.006 0.000 0.780 213 D N -0.386 120.085 120.400 0.118 0.000 2.289 213 D HA -0.026 4.614 4.640 -0.000 0.000 0.207 213 D C 0.691 177.072 176.300 0.135 0.000 0.966 213 D CA 0.205 54.271 54.000 0.111 0.000 0.868 213 D CB -0.925 39.936 40.800 0.101 0.000 0.943 213 D HN 0.024 nan 8.370 nan 0.000 0.514 214 V N 1.374 121.413 119.914 0.210 0.000 2.432 214 V HA 0.092 4.212 4.120 -0.000 0.000 0.275 214 V C 0.412 176.616 176.094 0.183 0.000 1.043 214 V CA -0.872 61.552 62.300 0.206 0.000 0.925 214 V CB 1.228 33.249 31.823 0.331 0.000 0.985 214 V HN 0.132 nan 8.190 nan 0.000 0.466 215 E N 4.477 124.730 120.200 0.089 0.000 2.129 215 E HA 0.204 4.554 4.350 -0.000 0.000 0.283 215 E C -0.910 175.704 176.600 0.024 0.000 1.080 215 E CA -0.716 55.720 56.400 0.061 0.000 0.867 215 E CB 0.981 30.696 29.700 0.025 0.000 1.056 215 E HN 0.536 nan 8.360 nan 0.000 0.404 216 L N 4.173 125.434 121.223 0.062 0.000 2.305 216 L HA 0.322 4.662 4.340 -0.000 0.000 0.281 216 L C -1.038 175.797 176.870 -0.058 0.000 1.085 216 L CA 0.190 55.019 54.840 -0.020 0.000 0.813 216 L CB 1.492 43.613 42.059 0.102 0.000 1.157 216 L HN 0.359 nan 8.230 nan 0.000 0.436 217 S N 3.923 119.533 115.700 -0.150 0.000 2.548 217 S HA 0.599 5.069 4.470 -0.000 0.000 0.286 217 S C -1.128 173.346 174.600 -0.211 0.000 1.098 217 S CA -0.641 57.503 58.200 -0.093 0.000 0.930 217 S CB 1.376 64.550 63.200 -0.045 0.000 1.070 217 S HN 0.589 nan 8.310 nan 0.000 0.480 218 H N 1.709 120.808 119.070 0.049 0.000 2.505 218 H HA 0.538 5.094 4.556 -0.000 0.000 0.338 218 H C -0.780 174.568 175.328 0.033 0.000 1.057 218 H CA -0.305 55.776 56.048 0.054 0.000 1.202 218 H CB 1.364 31.162 29.762 0.061 0.000 1.466 218 H HN 0.393 nan 8.280 nan 0.000 0.499 219 M N 3.219 122.891 119.600 0.120 0.000 2.518 219 M HA 0.321 4.801 4.480 -0.000 0.000 0.300 219 M C -0.682 175.613 176.300 -0.007 0.000 1.175 219 M CA -0.815 54.520 55.300 0.058 0.000 0.890 219 M CB 2.984 35.625 32.600 0.068 0.000 1.710 219 M HN 0.251 nan 8.290 nan 0.000 0.453 220 L N 1.826 123.024 121.223 -0.042 0.000 2.305 220 L HA 0.196 4.535 4.340 -0.000 0.000 0.281 220 L C 1.414 178.165 176.870 -0.199 0.000 1.085 220 L CA -0.259 54.507 54.840 -0.123 0.000 0.813 220 L CB 1.466 43.469 42.059 -0.093 0.000 1.157 220 L HN 0.672 nan 8.230 nan 0.000 0.436 221 V N 3.244 122.930 119.914 -0.380 0.000 2.252 221 V HA -0.372 3.748 4.120 -0.000 0.000 0.255 221 V C 2.102 178.025 176.094 -0.285 0.000 1.071 221 V CA 2.846 64.858 62.300 -0.480 0.000 1.050 221 V CB -0.347 30.831 31.823 -1.075 0.000 0.654 221 V HN 1.116 nan 8.190 nan 0.000 0.448 222 D N -0.941 119.320 120.400 -0.232 0.000 2.178 222 D HA -0.134 4.506 4.640 -0.000 0.000 0.201 222 D C 2.069 178.322 176.300 -0.078 0.000 0.980 222 D CA 1.757 55.680 54.000 -0.128 0.000 0.842 222 D CB -0.673 40.071 40.800 -0.093 0.000 0.948 222 D HN 0.534 nan 8.370 nan 0.000 0.472 223 S N -0.065 115.594 115.700 -0.068 0.000 2.357 223 S HA -0.086 4.384 4.470 -0.000 0.000 0.221 223 S C 2.060 176.665 174.600 0.008 0.000 1.031 223 S CA 1.448 59.636 58.200 -0.019 0.000 0.982 223 S CB -0.507 62.691 63.200 -0.005 0.000 0.853 223 S HN 0.390 nan 8.310 nan 0.000 0.458 224 T N 1.798 116.344 114.554 -0.013 0.000 2.778 224 T HA -0.144 4.205 4.350 -0.000 0.000 0.269 224 T C 2.066 176.735 174.700 -0.051 0.000 1.050 224 T CA 1.476 63.572 62.100 -0.006 0.000 1.137 224 T CB -0.513 68.286 68.868 -0.116 0.000 0.860 224 T HN 0.429 nan 8.240 nan 0.000 0.468 225 S N 1.094 116.753 115.700 -0.068 0.000 2.353 225 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 225 S C 2.120 176.709 174.600 -0.017 0.000 1.035 225 S CA 1.540 59.706 58.200 -0.057 0.000 1.025 225 S CB -0.401 62.766 63.200 -0.054 0.000 0.902 225 S HN 0.491 nan 8.310 nan 0.000 0.440 226 M N 0.634 120.235 119.600 0.002 0.000 2.132 226 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 226 M C 2.503 178.836 176.300 0.054 0.000 1.065 226 M CA 1.222 56.534 55.300 0.020 0.000 1.122 226 M CB -0.490 32.120 32.600 0.017 0.000 1.365 226 M HN 0.272 nan 8.290 nan 0.000 0.411 227 Q N 0.579 120.440 119.800 0.102 0.000 2.226 227 Q HA -0.033 4.307 4.340 -0.000 0.000 0.204 227 Q C 2.059 178.229 176.000 0.283 0.000 0.975 227 Q CA 1.242 57.171 55.803 0.209 0.000 0.866 227 Q CB -0.490 28.462 28.738 0.356 0.000 0.915 227 Q HN 0.587 nan 8.270 nan 0.000 0.440 228 L N -0.283 121.019 121.223 0.131 0.000 2.376 228 L HA -0.064 4.276 4.340 -0.000 0.000 0.219 228 L C 1.981 178.885 176.870 0.058 0.000 1.133 228 L CA 0.515 55.382 54.840 0.045 0.000 0.816 228 L CB -0.074 41.913 42.059 -0.121 0.000 0.933 228 L HN 0.180 nan 8.230 nan 0.000 0.449 229 I N -1.127 119.476 120.570 0.054 0.000 2.729 229 I HA -0.024 4.146 4.170 -0.000 0.000 0.256 229 I C 2.279 178.422 176.117 0.044 0.000 1.115 229 I CA 0.685 62.008 61.300 0.037 0.000 1.446 229 I CB -0.029 37.983 38.000 0.022 0.000 1.176 229 I HN 0.058 nan 8.210 nan 0.000 0.446 230 A N -0.230 122.619 122.820 0.050 0.000 2.275 230 A HA 0.092 4.412 4.320 -0.000 0.000 0.212 230 A C 0.950 178.556 177.584 0.037 0.000 1.201 230 A CA 0.635 52.694 52.037 0.036 0.000 0.843 230 A CB -0.100 18.915 19.000 0.025 0.000 0.873 230 A HN 0.435 nan 8.150 nan 0.000 0.492 231 N N -1.006 117.734 118.700 0.067 0.000 2.704 231 N HA 0.042 4.782 4.740 -0.000 0.000 0.226 231 N C -2.636 172.932 175.510 0.096 0.000 1.368 231 N CA -0.324 52.748 53.050 0.037 0.000 1.385 231 N CB 0.590 39.063 38.487 -0.024 0.000 1.500 231 N HN 0.053 nan 8.380 nan 0.000 0.580 232 P HA 0.014 nan 4.420 nan 0.000 0.228 232 P C 1.349 178.790 177.300 0.236 0.000 1.151 232 P CA 0.704 64.002 63.100 0.331 0.000 0.770 232 P CB -0.029 31.774 31.700 0.172 0.000 0.786 233 G N 1.264 110.106 108.800 0.071 0.000 2.471 233 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 233 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 233 G C 1.626 176.496 174.900 -0.051 0.000 1.125 233 G CA 0.536 45.646 45.100 0.016 0.000 0.775 233 G HN 0.477 nan 8.290 nan 0.000 0.548 234 Q N -0.615 119.069 119.800 -0.194 0.000 2.172 234 Q HA 0.048 4.388 4.340 -0.000 0.000 0.200 234 Q C 0.279 176.066 176.000 -0.354 0.000 0.964 234 Q CA 0.209 55.803 55.803 -0.348 0.000 0.855 234 Q CB -0.377 28.024 28.738 -0.560 0.000 0.918 234 Q HN 0.345 nan 8.270 nan 0.000 0.444 235 F N 1.832 121.764 119.950 -0.030 0.000 2.484 235 F HA 0.122 4.649 4.527 -0.000 0.000 0.360 235 F C 0.948 176.727 175.800 -0.035 0.000 1.101 235 F CA -0.250 57.728 58.000 -0.037 0.000 1.251 235 F CB 0.727 39.704 39.000 -0.039 0.000 1.132 235 F HN 0.059 nan 8.300 nan 0.000 0.570 236 D N 1.325 121.806 120.400 0.134 0.000 3.094 236 D HA 0.140 4.780 4.640 -0.000 0.000 0.267 236 D C -0.593 175.741 176.300 0.057 0.000 1.542 236 D CA 0.759 54.798 54.000 0.065 0.000 1.157 236 D CB 0.350 41.163 40.800 0.022 0.000 1.098 236 D HN 0.113 nan 8.370 nan 0.000 0.340 237 V N 1.634 121.563 119.914 0.025 0.000 2.604 237 V HA 0.468 4.588 4.120 -0.000 0.000 0.305 237 V C -0.266 175.817 176.094 -0.019 0.000 1.043 237 V CA -0.713 61.575 62.300 -0.019 0.000 0.888 237 V CB 1.951 33.730 31.823 -0.073 0.000 0.995 237 V HN 0.170 nan 8.190 nan 0.000 0.429 238 I N 4.399 124.947 120.570 -0.036 0.000 2.418 238 I HA 0.508 4.678 4.170 -0.000 0.000 0.287 238 I C -0.673 175.422 176.117 -0.037 0.000 1.008 238 I CA -0.779 60.495 61.300 -0.043 0.000 1.104 238 I CB 2.050 39.983 38.000 -0.112 0.000 1.264 238 I HN 0.376 nan 8.210 nan 0.000 0.438 239 V N 5.927 125.843 119.914 0.003 0.000 2.581 239 V HA 0.742 4.862 4.120 -0.000 0.000 0.303 239 V C -0.335 175.857 176.094 0.163 0.000 1.041 239 V CA 0.280 62.640 62.300 0.101 0.000 0.907 239 V CB 2.139 34.037 31.823 0.126 0.000 0.994 239 V HN 0.887 nan 8.190 nan 0.000 0.442 240 T N 3.647 118.294 114.554 0.156 0.000 2.775 240 T HA 0.320 4.670 4.350 -0.000 0.000 0.320 240 T C -0.876 173.724 174.700 -0.168 0.000 1.597 240 T CA -0.159 61.868 62.100 -0.121 0.000 1.022 240 T CB 1.584 70.386 68.868 -0.110 0.000 1.485 240 T HN 1.023 nan 8.240 nan 0.000 0.494 241 E N 1.682 121.594 120.200 -0.479 0.000 2.585 241 E HA 0.251 4.601 4.350 -0.000 0.000 0.256 241 E C 1.086 177.656 176.600 -0.050 0.000 1.383 241 E CA -0.410 55.838 56.400 -0.253 0.000 1.029 241 E CB 0.393 29.892 29.700 -0.335 0.000 1.044 241 E HN 0.454 nan 8.360 nan 0.000 0.595 242 N N 0.044 118.753 118.700 0.015 0.000 2.022 242 N HA -0.214 4.526 4.740 -0.000 0.000 0.194 242 N C 1.741 177.079 175.510 -0.288 0.000 1.057 242 N CA 2.089 55.091 53.050 -0.081 0.000 0.849 242 N CB -0.406 38.027 38.487 -0.090 0.000 1.044 242 N HN 0.693 nan 8.380 nan 0.000 0.424 243 M N 0.255 119.482 119.600 -0.622 0.000 2.082 243 M HA -0.122 4.358 4.480 -0.000 0.000 0.258 243 M C 1.710 177.871 176.300 -0.231 0.000 1.069 243 M CA 1.614 56.522 55.300 -0.654 0.000 1.102 243 M CB -0.799 31.339 32.600 -0.771 0.000 1.336 243 M HN 0.100 nan 8.290 nan 0.000 0.404 244 F N 0.235 120.088 119.950 -0.162 0.000 2.146 244 F HA 0.136 4.663 4.527 -0.000 0.000 0.298 244 F C 2.561 178.299 175.800 -0.104 0.000 1.096 244 F CA 1.153 59.076 58.000 -0.129 0.000 1.275 244 F CB -1.815 37.077 39.000 -0.179 0.000 1.008 244 F HN 0.312 nan 8.300 nan 0.000 0.480 245 G N -0.454 108.393 108.800 0.078 0.000 2.446 245 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.217 245 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.217 245 G C 1.505 176.430 174.900 0.042 0.000 1.168 245 G CA 1.248 46.368 45.100 0.034 0.000 0.771 245 G HN 0.306 nan 8.290 nan 0.000 0.551 246 D N 0.811 121.249 120.400 0.063 0.000 2.126 246 D HA -0.151 4.489 4.640 -0.000 0.000 0.190 246 D C 2.553 178.899 176.300 0.077 0.000 1.001 246 D CA 1.103 55.162 54.000 0.099 0.000 0.841 246 D CB -0.331 40.585 40.800 0.194 0.000 0.949 246 D HN 0.406 nan 8.370 nan 0.000 0.446 247 I N 0.073 120.692 120.570 0.083 0.000 2.090 247 I HA -0.269 3.901 4.170 -0.000 0.000 0.236 247 I C 2.672 178.804 176.117 0.024 0.000 1.064 247 I CA 0.721 62.060 61.300 0.064 0.000 1.324 247 I CB -0.409 37.644 38.000 0.088 0.000 1.044 247 I HN 0.059 nan 8.210 nan 0.000 0.399 248 L N 0.134 121.360 121.223 0.005 0.000 2.043 248 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 248 L C 2.755 179.596 176.870 -0.048 0.000 1.075 248 L CA 1.342 56.153 54.840 -0.048 0.000 0.752 248 L CB -0.779 41.227 42.059 -0.089 0.000 0.891 248 L HN 0.245 nan 8.230 nan 0.000 0.432 249 S N -0.081 115.604 115.700 -0.025 0.000 2.359 249 S HA -0.233 4.237 4.470 -0.000 0.000 0.223 249 S C 1.557 176.150 174.600 -0.012 0.000 1.039 249 S CA 1.880 60.068 58.200 -0.020 0.000 1.042 249 S CB -0.363 62.838 63.200 0.001 0.000 0.915 249 S HN 0.463 nan 8.310 nan 0.000 0.439 250 D N 0.672 121.074 120.400 0.003 0.000 2.117 250 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 250 D C 1.980 178.279 176.300 -0.002 0.000 0.987 250 D CA 1.049 55.054 54.000 0.007 0.000 0.829 250 D CB -0.386 40.425 40.800 0.018 0.000 0.961 250 D HN 0.560 nan 8.370 nan 0.000 0.460 251 E N 0.491 120.684 120.200 -0.012 0.000 2.038 251 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 251 E C 1.960 178.544 176.600 -0.026 0.000 1.000 251 E CA 1.328 57.716 56.400 -0.019 0.000 0.803 251 E CB -0.116 29.564 29.700 -0.033 0.000 0.750 251 E HN 0.179 nan 8.360 nan 0.000 0.448 252 A N 0.410 123.203 122.820 -0.045 0.000 2.076 252 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 252 A C 2.302 179.873 177.584 -0.022 0.000 1.160 252 A CA 1.701 53.710 52.037 -0.048 0.000 0.653 252 A CB -0.500 18.453 19.000 -0.078 0.000 0.801 252 A HN 0.310 nan 8.150 nan 0.000 0.455 253 S N -0.306 115.388 115.700 -0.010 0.000 2.353 253 S HA -0.190 4.279 4.470 -0.000 0.000 0.222 253 S C 2.047 176.654 174.600 0.012 0.000 1.035 253 S CA 1.824 60.028 58.200 0.005 0.000 1.025 253 S CB -0.880 62.328 63.200 0.013 0.000 0.902 253 S HN 0.974 nan 8.310 nan 0.000 0.440 254 V N 2.413 122.334 119.914 0.010 0.000 2.626 254 V HA -0.094 4.026 4.120 -0.000 0.000 0.252 254 V C 2.113 178.215 176.094 0.014 0.000 1.067 254 V CA 1.442 63.750 62.300 0.015 0.000 1.081 254 V CB -1.418 30.413 31.823 0.013 0.000 0.686 254 V HN 0.654 nan 8.190 nan 0.000 0.468 255 I N 1.887 122.461 120.570 0.007 0.000 2.194 255 I HA -0.229 3.940 4.170 -0.000 0.000 0.246 255 I C 2.419 178.543 176.117 0.012 0.000 1.093 255 I CA 2.609 63.914 61.300 0.009 0.000 1.355 255 I CB -1.418 36.586 38.000 0.006 0.000 1.046 255 I HN 0.477 nan 8.210 nan 0.000 0.413 256 T N -2.068 112.492 114.554 0.010 0.000 3.054 256 T HA 0.403 4.752 4.350 -0.000 0.000 0.259 256 T C 1.686 176.407 174.700 0.034 0.000 1.092 256 T CA 0.527 62.634 62.100 0.012 0.000 1.121 256 T CB 0.171 69.032 68.868 -0.012 0.000 0.912 256 T HN 0.830 nan 8.240 nan 0.000 0.489 257 G N 1.432 110.255 108.800 0.038 0.000 2.176 257 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.253 257 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.253 257 G C 0.954 175.896 174.900 0.070 0.000 0.979 257 G CA 0.652 45.781 45.100 0.049 0.000 0.641 257 G HN 1.116 nan 8.290 nan 0.000 0.530 258 S N -0.692 115.057 115.700 0.081 0.000 2.631 258 S HA 0.504 4.974 4.470 -0.000 0.000 0.217 258 S C 0.981 175.642 174.600 0.102 0.000 0.958 258 S CA 0.389 58.662 58.200 0.122 0.000 0.920 258 S CB 0.478 63.771 63.200 0.155 0.000 0.776 258 S HN 1.224 nan 8.310 nan 0.000 0.517 259 L N 2.487 123.754 121.223 0.074 0.000 2.499 259 L HA 0.520 4.859 4.340 -0.000 0.000 0.273 259 L C 1.156 178.075 176.870 0.082 0.000 1.195 259 L CA 1.773 56.655 54.840 0.071 0.000 0.882 259 L CB -0.123 41.968 42.059 0.053 0.000 1.133 259 L HN 0.491 nan 8.230 nan 0.000 0.483 260 G N 3.819 112.681 108.800 0.103 0.000 2.352 260 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.204 260 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.204 260 G C 0.453 175.446 174.900 0.154 0.000 1.004 260 G CA 0.259 45.427 45.100 0.113 0.000 0.648 260 G HN 0.956 nan 8.290 nan 0.000 0.491 261 M N 0.269 119.956 119.600 0.144 0.000 2.809 261 M HA 0.683 5.163 4.480 -0.000 0.000 0.388 261 M C -0.289 176.102 176.300 0.151 0.000 1.248 261 M CA -0.316 55.078 55.300 0.157 0.000 0.885 261 M CB 0.463 33.143 32.600 0.134 0.000 1.386 261 M HN -0.011 nan 8.290 nan 0.000 0.509 262 L N 4.112 125.412 121.223 0.127 0.000 2.276 262 L HA 0.630 4.970 4.340 -0.000 0.000 0.286 262 L C -2.213 174.698 176.870 0.068 0.000 1.061 262 L CA -1.653 53.244 54.840 0.094 0.000 0.807 262 L CB 1.253 43.354 42.059 0.069 0.000 1.177 262 L HN 0.130 nan 8.230 nan 0.000 0.429 263 P HA 0.432 nan 4.420 nan 0.000 0.286 263 P C -1.340 175.992 177.300 0.053 0.000 1.292 263 P CA -0.498 62.640 63.100 0.065 0.000 0.842 263 P CB 2.179 33.942 31.700 0.105 0.000 1.207 264 S N -1.582 114.148 115.700 0.050 0.000 2.588 264 S HA 0.845 5.315 4.470 -0.000 0.000 0.269 264 S C -1.530 173.055 174.600 -0.025 0.000 1.157 264 S CA -0.804 57.401 58.200 0.008 0.000 0.824 264 S CB 1.215 64.400 63.200 -0.025 0.000 1.126 264 S HN 0.718 nan 8.310 nan 0.000 0.464 265 A N 0.596 123.331 122.820 -0.141 0.000 2.549 265 A HA 0.850 5.170 4.320 -0.000 0.000 0.297 265 A C -0.810 176.556 177.584 -0.364 0.000 1.061 265 A CA -0.768 51.024 52.037 -0.408 0.000 0.690 265 A CB 1.800 20.507 19.000 -0.487 0.000 1.287 265 A HN 1.037 nan 8.150 nan 0.000 0.402 266 S N 1.802 117.242 115.700 -0.433 0.000 2.653 266 S HA 0.527 4.997 4.470 -0.000 0.000 0.272 266 S C -0.275 174.111 174.600 -0.357 0.000 1.221 266 S CA -0.380 57.639 58.200 -0.302 0.000 1.149 266 S CB -0.011 63.077 63.200 -0.187 0.000 1.029 266 S HN 0.553 nan 8.310 nan 0.000 0.481 267 L N 3.040 124.026 121.223 -0.395 0.000 2.440 267 L HA 0.707 5.047 4.340 -0.000 0.000 0.262 267 L C 0.816 177.351 176.870 -0.559 0.000 1.072 267 L CA -1.108 53.496 54.840 -0.393 0.000 0.798 267 L CB 0.764 42.603 42.059 -0.366 0.000 1.307 267 L HN 0.574 nan 8.230 nan 0.000 0.475 268 R N -1.531 118.678 120.500 -0.484 0.000 3.404 268 R HA 0.472 4.812 4.340 -0.000 0.000 0.243 268 R C 0.672 176.807 176.300 -0.276 0.000 1.474 268 R CA -0.431 55.252 56.100 -0.695 0.000 1.018 268 R CB 0.509 30.699 30.300 -0.183 0.000 1.568 268 R HN 0.371 nan 8.270 nan 0.000 0.498 269 S N 0.549 116.360 115.700 0.186 0.000 2.368 269 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 269 S C 0.421 175.087 174.600 0.110 0.000 1.030 269 S CA 1.678 60.029 58.200 0.252 0.000 0.999 269 S CB -0.591 62.760 63.200 0.251 0.000 0.844 269 S HN 0.687 nan 8.310 nan 0.000 0.459 270 D N 0.332 120.779 120.400 0.077 0.000 2.539 270 D HA 0.195 4.835 4.640 -0.000 0.000 0.280 270 D C 0.329 176.657 176.300 0.046 0.000 1.208 270 D CA -0.796 53.239 54.000 0.059 0.000 1.088 270 D CB 0.181 41.013 40.800 0.054 0.000 1.149 270 D HN -0.113 nan 8.370 nan 0.000 0.596 271 R N -1.314 119.205 120.500 0.032 0.000 2.391 271 R HA 0.159 4.499 4.340 -0.000 0.000 0.225 271 R C -0.321 175.961 176.300 -0.029 0.000 1.079 271 R CA -0.230 55.857 56.100 -0.022 0.000 1.147 271 R CB -0.693 29.558 30.300 -0.081 0.000 1.103 271 R HN 0.274 nan 8.270 nan 0.000 0.499 272 F N -0.481 119.411 119.950 -0.097 0.000 2.432 272 F HA 0.601 5.128 4.527 -0.000 0.000 0.329 272 F C 0.430 176.193 175.800 -0.062 0.000 1.076 272 F CA -0.135 57.818 58.000 -0.078 0.000 1.018 272 F CB 1.574 40.540 39.000 -0.056 0.000 1.201 272 F HN -0.024 nan 8.300 nan 0.000 0.489 273 G N 4.295 112.694 108.800 -0.668 0.000 2.547 273 G HA2 0.405 4.365 3.960 -0.000 0.000 0.291 273 G HA3 0.405 4.365 3.960 -0.000 0.000 0.291 273 G C -2.276 172.312 174.900 -0.520 0.000 1.471 273 G CA -0.994 43.838 45.100 -0.448 0.000 0.798 273 G HN 0.782 nan 8.290 nan 0.000 0.504 274 M N 1.198 120.545 119.600 -0.421 0.000 2.181 274 M HA 0.679 5.159 4.480 -0.000 0.000 0.323 274 M C -1.752 174.367 176.300 -0.302 0.000 1.004 274 M CA -0.809 54.367 55.300 -0.208 0.000 0.941 274 M CB 1.261 33.804 32.600 -0.096 0.000 1.579 274 M HN 0.507 nan 8.290 nan 0.000 0.427 275 Y N 3.425 123.681 120.300 -0.073 0.000 2.364 275 Y HA 0.606 5.156 4.550 -0.000 0.000 0.340 275 Y C -0.083 175.801 175.900 -0.028 0.000 0.975 275 Y CA -0.654 57.425 58.100 -0.034 0.000 1.089 275 Y CB 1.306 39.762 38.460 -0.007 0.000 1.192 275 Y HN 0.582 nan 8.280 nan 0.000 0.454 276 E N 3.948 124.199 120.200 0.084 0.000 2.407 276 E HA 0.450 4.800 4.350 -0.000 0.000 0.279 276 E C -3.504 173.073 176.600 -0.037 0.000 1.012 276 E CA -2.294 54.115 56.400 0.015 0.000 0.800 276 E CB 3.078 32.767 29.700 -0.018 0.000 1.276 276 E HN 0.233 nan 8.360 nan 0.000 0.452 277 P HA 0.077 nan 4.420 nan 0.000 0.277 277 P C 0.994 178.138 177.300 -0.260 0.000 1.240 277 P CA -0.421 62.529 63.100 -0.250 0.000 0.798 277 P CB 1.490 32.842 31.700 -0.579 0.000 0.979 278 V N 1.278 121.100 119.914 -0.153 0.000 2.358 278 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 278 V C 1.409 177.476 176.094 -0.046 0.000 1.047 278 V CA 1.706 63.967 62.300 -0.065 0.000 1.035 278 V CB -2.033 29.792 31.823 0.004 0.000 0.658 278 V HN 0.765 nan 8.190 nan 0.000 0.452 279 H N 0.215 119.307 119.070 0.036 0.000 2.983 279 H HA 0.390 4.946 4.556 -0.000 0.000 0.361 279 H C 0.666 176.013 175.328 0.032 0.000 1.145 279 H CA 0.131 56.200 56.048 0.034 0.000 1.404 279 H CB -0.131 29.652 29.762 0.035 0.000 1.356 279 H HN 0.167 nan 8.280 nan 0.000 0.612 280 G N -0.135 108.827 108.800 0.269 0.000 2.494 280 G HA2 0.242 4.202 3.960 -0.000 0.000 0.270 280 G HA3 0.242 4.202 3.960 -0.000 0.000 0.270 280 G C 0.874 175.923 174.900 0.249 0.000 1.423 280 G CA -0.251 44.963 45.100 0.189 0.000 1.055 280 G HN 0.841 nan 8.290 nan 0.000 0.536 281 S N -1.359 114.431 115.700 0.151 0.000 2.446 281 S HA 0.309 4.779 4.470 -0.000 0.000 0.225 281 S C 1.610 176.264 174.600 0.090 0.000 1.016 281 S CA 1.187 59.467 58.200 0.133 0.000 0.943 281 S CB -0.271 63.001 63.200 0.120 0.000 0.786 281 S HN 2.185 nan 8.310 nan 0.000 0.508 282 A N 2.868 125.732 122.820 0.074 0.000 2.312 282 A HA -0.093 4.227 4.320 -0.000 0.000 0.286 282 A C -0.449 177.160 177.584 0.042 0.000 1.425 282 A CA 0.621 52.683 52.037 0.041 0.000 0.748 282 A CB -1.801 17.200 19.000 0.001 0.000 1.126 282 A HN 0.573 nan 8.150 nan 0.000 0.368 283 P HA -0.173 nan 4.420 nan 0.000 0.223 283 P C 0.683 178.003 177.300 0.034 0.000 1.144 283 P CA 1.695 64.832 63.100 0.062 0.000 0.783 283 P CB -0.071 31.677 31.700 0.081 0.000 0.771 284 D N 0.117 120.532 120.400 0.024 0.000 2.144 284 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 284 D C 1.642 177.947 176.300 0.008 0.000 0.978 284 D CA 0.752 54.760 54.000 0.013 0.000 0.833 284 D CB -0.355 40.451 40.800 0.010 0.000 0.961 284 D HN 0.115 nan 8.370 nan 0.000 0.470 285 I N 1.082 121.655 120.570 0.006 0.000 3.684 285 I HA 0.147 4.317 4.170 -0.000 0.000 0.304 285 I C 0.685 176.804 176.117 0.003 0.000 1.278 285 I CA -0.295 61.004 61.300 -0.001 0.000 1.272 285 I CB -1.756 36.235 38.000 -0.014 0.000 1.029 285 I HN -0.117 nan 8.210 nan 0.000 0.458 286 A N 0.846 123.674 122.820 0.014 0.000 2.548 286 A HA 0.374 4.694 4.320 -0.000 0.000 0.247 286 A C 1.665 179.258 177.584 0.015 0.000 1.067 286 A CA 0.920 52.970 52.037 0.021 0.000 0.757 286 A CB -0.411 18.610 19.000 0.035 0.000 0.996 286 A HN 0.735 nan 8.150 nan 0.000 0.504 287 G N 1.677 110.485 108.800 0.014 0.000 2.396 287 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.242 287 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.242 287 G C 0.968 175.870 174.900 0.004 0.000 1.069 287 G CA 0.808 45.914 45.100 0.010 0.000 0.633 287 G HN 0.826 nan 8.290 nan 0.000 0.517 288 Q N 0.634 120.436 119.800 0.003 0.000 2.515 288 Q HA 0.252 4.591 4.340 -0.000 0.000 0.215 288 Q C 2.055 178.054 176.000 -0.002 0.000 0.983 288 Q CA 1.033 56.836 55.803 0.000 0.000 0.905 288 Q CB -0.341 28.396 28.738 -0.001 0.000 0.961 288 Q HN 1.775 nan 8.270 nan 0.000 0.503 289 G N 1.249 110.048 108.800 -0.002 0.000 2.153 289 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.252 289 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.252 289 G C 0.545 175.441 174.900 -0.006 0.000 0.994 289 G CA 0.782 45.879 45.100 -0.004 0.000 0.698 289 G HN 0.405 nan 8.290 nan 0.000 0.521 290 K N -0.047 120.347 120.400 -0.010 0.000 2.358 290 K HA 0.559 4.879 4.320 -0.000 0.000 0.197 290 K C 1.400 177.983 176.600 -0.027 0.000 1.025 290 K CA 0.352 56.631 56.287 -0.013 0.000 1.104 290 K CB 0.751 33.244 32.500 -0.012 0.000 0.855 290 K HN 0.634 nan 8.250 nan 0.000 0.531 291 A N 2.615 125.416 122.820 -0.032 0.000 2.566 291 A HA -0.050 4.270 4.320 -0.000 0.000 0.245 291 A C -0.029 177.523 177.584 -0.053 0.000 1.056 291 A CA -0.024 51.979 52.037 -0.057 0.000 0.757 291 A CB -0.149 18.829 19.000 -0.036 0.000 0.979 291 A HN 0.204 nan 8.150 nan 0.000 0.508 292 N N 3.926 122.572 118.700 -0.090 0.000 2.415 292 N HA 0.214 4.954 4.740 -0.000 0.000 0.246 292 N C -1.598 173.912 175.510 0.001 0.000 1.078 292 N CA -2.083 50.939 53.050 -0.046 0.000 0.942 292 N CB 1.206 39.664 38.487 -0.048 0.000 1.140 292 N HN 0.387 nan 8.380 nan 0.000 0.501 293 P HA -0.005 nan 4.420 nan 0.000 0.241 293 P C 1.476 178.820 177.300 0.073 0.000 1.191 293 P CA 0.299 63.435 63.100 0.060 0.000 0.771 293 P CB 0.606 32.322 31.700 0.026 0.000 0.929 294 L N -0.115 121.145 121.223 0.062 0.000 2.043 294 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 294 L C 2.818 179.743 176.870 0.093 0.000 1.075 294 L CA 2.054 56.929 54.840 0.058 0.000 0.752 294 L CB -1.640 40.442 42.059 0.038 0.000 0.891 294 L HN 0.073 nan 8.230 nan 0.000 0.432 295 G N -0.584 108.301 108.800 0.143 0.000 2.480 295 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 295 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 295 G C 1.537 176.492 174.900 0.091 0.000 1.200 295 G CA 1.372 46.556 45.100 0.140 0.000 0.782 295 G HN 0.328 nan 8.290 nan 0.000 0.554 296 T N 0.897 115.512 114.554 0.100 0.000 2.759 296 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 296 T C 2.489 177.221 174.700 0.053 0.000 1.042 296 T CA 1.245 63.383 62.100 0.063 0.000 1.140 296 T CB -0.281 68.635 68.868 0.080 0.000 0.864 296 T HN 0.066 nan 8.240 nan 0.000 0.455 297 V N 1.445 121.390 119.914 0.052 0.000 2.307 297 V HA -0.095 4.025 4.120 -0.000 0.000 0.245 297 V C 2.473 178.589 176.094 0.036 0.000 1.045 297 V CA 1.429 63.748 62.300 0.031 0.000 1.024 297 V CB -0.687 31.149 31.823 0.021 0.000 0.651 297 V HN 0.431 nan 8.190 nan 0.000 0.449 298 L N -0.126 121.133 121.223 0.059 0.000 2.191 298 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 298 L C 2.554 179.471 176.870 0.079 0.000 1.103 298 L CA 1.279 56.165 54.840 0.076 0.000 0.769 298 L CB -0.563 41.563 42.059 0.112 0.000 0.908 298 L HN 0.294 nan 8.230 nan 0.000 0.438 299 S N 0.002 115.751 115.700 0.081 0.000 2.345 299 S HA -0.150 4.320 4.470 -0.000 0.000 0.220 299 S C 2.270 176.890 174.600 0.033 0.000 1.031 299 S CA 1.154 59.424 58.200 0.117 0.000 0.996 299 S CB -0.344 62.925 63.200 0.115 0.000 0.882 299 S HN 0.503 nan 8.310 nan 0.000 0.445 300 A N 1.600 124.417 122.820 -0.005 0.000 1.986 300 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 300 A C 2.290 179.813 177.584 -0.103 0.000 1.171 300 A CA 1.823 53.820 52.037 -0.067 0.000 0.640 300 A CB -1.006 17.980 19.000 -0.024 0.000 0.811 300 A HN 0.519 nan 8.150 nan 0.000 0.451 301 A N -0.211 122.579 122.820 -0.051 0.000 1.873 301 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 301 A C 2.150 179.671 177.584 -0.105 0.000 1.186 301 A CA 1.441 53.444 52.037 -0.056 0.000 0.616 301 A CB -0.609 18.387 19.000 -0.007 0.000 0.823 301 A HN 0.475 nan 8.150 nan 0.000 0.442 302 L N -1.043 120.151 121.223 -0.048 0.000 2.042 302 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 302 L C 2.823 179.568 176.870 -0.209 0.000 1.076 302 L CA 1.821 56.677 54.840 0.026 0.000 0.749 302 L CB -0.529 41.786 42.059 0.427 0.000 0.893 302 L HN 0.593 nan 8.230 nan 0.000 0.432 303 M N 0.097 119.242 119.600 -0.758 0.000 2.115 303 M HA -0.287 4.193 4.480 -0.000 0.000 0.258 303 M C 2.380 178.520 176.300 -0.267 0.000 1.071 303 M CA 2.055 56.643 55.300 -1.188 0.000 1.100 303 M CB -0.228 31.853 32.600 -0.866 0.000 1.292 303 M HN 0.177 nan 8.290 nan 0.000 0.415 304 L N -0.480 120.677 121.223 -0.110 0.000 2.051 304 L HA -0.289 4.051 4.340 -0.000 0.000 0.214 304 L C 2.813 179.691 176.870 0.012 0.000 1.076 304 L CA 1.878 56.741 54.840 0.038 0.000 0.758 304 L CB -0.841 41.175 42.059 -0.072 0.000 0.890 304 L HN 0.480 nan 8.230 nan 0.000 0.433 305 R N -0.700 119.702 120.500 -0.162 0.000 2.052 305 R HA -0.156 4.184 4.340 -0.000 0.000 0.226 305 R C 2.448 178.603 176.300 -0.241 0.000 1.145 305 R CA 1.488 57.419 56.100 -0.281 0.000 0.952 305 R CB -0.300 29.660 30.300 -0.565 0.000 0.847 305 R HN 0.170 nan 8.270 nan 0.000 0.431 306 Y N 0.065 120.398 120.300 0.055 0.000 2.373 306 Y HA 0.069 4.619 4.550 -0.000 0.000 0.293 306 Y C 2.286 178.177 175.900 -0.015 0.000 1.129 306 Y CA 0.849 58.988 58.100 0.065 0.000 1.226 306 Y CB 0.121 38.677 38.460 0.160 0.000 1.000 306 Y HN 0.080 nan 8.280 nan 0.000 0.549 307 S N -1.829 113.859 115.700 -0.021 0.000 2.512 307 S HA 0.187 4.657 4.470 -0.000 0.000 0.216 307 S C 0.521 174.612 174.600 -0.849 0.000 1.006 307 S CA 0.066 58.008 58.200 -0.430 0.000 0.915 307 S CB 0.069 62.880 63.200 -0.647 0.000 0.824 307 S HN 0.350 nan 8.310 nan 0.000 0.497 308 F N -0.115 119.807 119.950 -0.046 0.000 2.915 308 F HA 0.347 4.874 4.527 -0.000 0.000 0.347 308 F C 1.491 177.250 175.800 -0.069 0.000 1.104 308 F CA -0.100 57.856 58.000 -0.074 0.000 1.126 308 F CB 0.172 39.091 39.000 -0.135 0.000 1.145 308 F HN 0.151 nan 8.300 nan 0.000 0.541 309 G N 1.667 110.510 108.800 0.072 0.000 2.187 309 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.261 309 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.261 309 G C 0.289 175.205 174.900 0.027 0.000 1.000 309 G CA 0.204 45.326 45.100 0.037 0.000 0.718 309 G HN 0.356 nan 8.290 nan 0.000 0.519 310 L N 0.497 121.736 121.223 0.027 0.000 2.480 310 L HA 0.279 4.619 4.340 -0.000 0.000 0.243 310 L C 1.780 178.641 176.870 -0.016 0.000 1.315 310 L CA -0.031 54.809 54.840 -0.001 0.000 1.231 310 L CB 0.428 42.458 42.059 -0.048 0.000 1.444 310 L HN 0.326 nan 8.230 nan 0.000 0.409 311 E N 1.936 122.127 120.200 -0.016 0.000 2.023 311 E HA -0.277 4.072 4.350 -0.000 0.000 0.196 311 E C 2.046 178.639 176.600 -0.012 0.000 1.003 311 E CA 1.841 58.224 56.400 -0.028 0.000 0.809 311 E CB 0.127 29.819 29.700 -0.014 0.000 0.755 311 E HN 0.430 nan 8.360 nan 0.000 0.449 312 K N -0.065 120.340 120.400 0.008 0.000 2.034 312 K HA -0.295 4.025 4.320 -0.000 0.000 0.214 312 K C 2.050 178.658 176.600 0.013 0.000 1.051 312 K CA 2.096 58.392 56.287 0.015 0.000 0.931 312 K CB -0.193 32.323 32.500 0.026 0.000 0.715 312 K HN 0.067 nan 8.250 nan 0.000 0.446 313 E N 0.150 120.364 120.200 0.023 0.000 2.077 313 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 313 E C 1.840 178.436 176.600 -0.006 0.000 0.989 313 E CA 1.461 57.873 56.400 0.020 0.000 0.800 313 E CB -0.289 29.434 29.700 0.039 0.000 0.746 313 E HN 0.476 nan 8.360 nan 0.000 0.452 314 A N 0.960 123.765 122.820 -0.024 0.000 1.877 314 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 314 A C 2.382 179.954 177.584 -0.019 0.000 1.186 314 A CA 1.935 53.947 52.037 -0.040 0.000 0.620 314 A CB -0.932 18.019 19.000 -0.081 0.000 0.822 314 A HN 0.289 nan 8.150 nan 0.000 0.443 315 A N -0.201 122.612 122.820 -0.011 0.000 1.978 315 A HA 0.145 4.465 4.320 -0.000 0.000 0.220 315 A C 2.445 180.036 177.584 0.011 0.000 1.170 315 A CA 2.022 54.061 52.037 0.005 0.000 0.636 315 A CB -0.918 18.087 19.000 0.007 0.000 0.810 315 A HN 1.046 nan 8.150 nan 0.000 0.448 316 A N 0.303 123.126 122.820 0.005 0.000 1.865 316 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 316 A C 2.119 179.704 177.584 0.003 0.000 1.191 316 A CA 1.630 53.669 52.037 0.004 0.000 0.623 316 A CB -0.626 18.374 19.000 0.000 0.000 0.826 316 A HN 0.507 nan 8.150 nan 0.000 0.444 317 I N -0.426 120.145 120.570 0.002 0.000 2.226 317 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 317 I C 2.476 178.602 176.117 0.015 0.000 1.100 317 I CA 1.674 62.976 61.300 0.002 0.000 1.374 317 I CB -0.654 37.345 38.000 -0.001 0.000 1.057 317 I HN 0.462 nan 8.210 nan 0.000 0.413 318 E N 0.927 121.145 120.200 0.030 0.000 2.110 318 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 318 E C 2.141 178.778 176.600 0.061 0.000 0.988 318 E CA 1.227 57.666 56.400 0.066 0.000 0.804 318 E CB -0.115 29.631 29.700 0.077 0.000 0.745 318 E HN 0.411 nan 8.360 nan 0.000 0.458 319 K N 1.018 121.441 120.400 0.039 0.000 2.001 319 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 319 K C 2.261 178.863 176.600 0.004 0.000 1.048 319 K CA 1.134 57.439 56.287 0.030 0.000 0.932 319 K CB -0.169 32.344 32.500 0.023 0.000 0.715 319 K HN 0.075 nan 8.250 nan 0.000 0.437 320 A N 1.031 123.848 122.820 -0.005 0.000 1.869 320 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 320 A C 2.292 179.852 177.584 -0.040 0.000 1.203 320 A CA 2.297 54.322 52.037 -0.020 0.000 0.638 320 A CB -1.140 17.847 19.000 -0.021 0.000 0.831 320 A HN 0.208 nan 8.150 nan 0.000 0.450 321 V N 0.564 120.448 119.914 -0.049 0.000 2.282 321 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 321 V C 2.404 178.379 176.094 -0.198 0.000 1.057 321 V CA 2.731 64.967 62.300 -0.106 0.000 1.032 321 V CB -1.004 30.763 31.823 -0.093 0.000 0.645 321 V HN 0.776 nan 8.190 nan 0.000 0.447 322 D N -0.057 120.238 120.400 -0.176 0.000 2.092 322 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 322 D C 1.825 178.067 176.300 -0.096 0.000 0.994 322 D CA 1.729 55.615 54.000 -0.189 0.000 0.828 322 D CB -0.235 40.577 40.800 0.020 0.000 0.963 322 D HN 0.423 nan 8.370 nan 0.000 0.450 323 D N -0.401 119.976 120.400 -0.038 0.000 2.092 323 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 323 D C 2.349 178.653 176.300 0.006 0.000 0.994 323 D CA 1.018 55.014 54.000 -0.007 0.000 0.828 323 D CB -0.505 40.297 40.800 0.002 0.000 0.963 323 D HN 0.167 nan 8.370 nan 0.000 0.450 324 V N 1.092 121.004 119.914 -0.004 0.000 2.332 324 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 324 V C 2.648 178.788 176.094 0.077 0.000 1.055 324 V CA 1.234 63.563 62.300 0.047 0.000 1.038 324 V CB -0.508 31.316 31.823 0.001 0.000 0.651 324 V HN 0.206 nan 8.190 nan 0.000 0.450 325 L N -0.467 120.740 121.223 -0.027 0.000 2.156 325 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 325 L C 2.621 179.477 176.870 -0.024 0.000 1.095 325 L CA 1.368 56.178 54.840 -0.049 0.000 0.770 325 L CB -0.475 41.482 42.059 -0.171 0.000 0.914 325 L HN 0.359 nan 8.230 nan 0.000 0.439 326 Q N 0.471 120.261 119.800 -0.016 0.000 2.170 326 Q HA -0.220 4.120 4.340 -0.000 0.000 0.203 326 Q C 1.324 177.330 176.000 0.011 0.000 0.976 326 Q CA 1.694 57.500 55.803 0.004 0.000 0.858 326 Q CB -0.043 28.703 28.738 0.014 0.000 0.907 326 Q HN 0.349 nan 8.270 nan 0.000 0.433 327 D N -1.335 119.092 120.400 0.046 0.000 2.355 327 D HA 0.160 4.800 4.640 -0.000 0.000 0.218 327 D C 0.728 176.971 176.300 -0.095 0.000 1.004 327 D CA 1.036 55.072 54.000 0.059 0.000 0.880 327 D CB 0.201 41.147 40.800 0.243 0.000 0.911 327 D HN 0.451 nan 8.370 nan 0.000 0.528 328 G N -0.519 108.227 108.800 -0.090 0.000 2.141 328 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.231 328 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.231 328 G C -0.159 174.581 174.900 -0.267 0.000 0.984 328 G CA -0.358 44.627 45.100 -0.192 0.000 0.660 328 G HN 0.296 nan 8.290 nan 0.000 0.525 329 Y N 0.446 120.729 120.300 -0.029 0.000 2.299 329 Y HA 0.550 5.100 4.550 -0.000 0.000 0.326 329 Y C 1.310 177.191 175.900 -0.032 0.000 1.164 329 Y CA -0.041 58.042 58.100 -0.028 0.000 1.234 329 Y CB 1.096 39.539 38.460 -0.028 0.000 1.219 329 Y HN 0.768 nan 8.280 nan 0.000 0.497 330 C N -1.908 117.471 119.300 0.132 0.000 3.306 330 C HA 0.395 4.855 4.460 -0.000 0.000 0.335 330 C C 0.719 175.743 174.990 0.057 0.000 1.382 330 C CA -0.812 58.244 59.018 0.064 0.000 1.254 330 C CB 1.209 28.964 27.740 0.025 0.000 1.555 330 C HN 0.822 nan 8.230 nan 0.000 0.463 331 T N -0.460 114.112 114.554 0.030 0.000 3.129 331 T HA 0.494 4.844 4.350 -0.000 0.000 0.251 331 T C 1.460 176.166 174.700 0.010 0.000 1.117 331 T CA 1.039 63.150 62.100 0.018 0.000 1.034 331 T CB 0.015 68.884 68.868 0.002 0.000 0.968 331 T HN 2.199 nan 8.240 nan 0.000 0.526 332 G N 2.288 111.094 108.800 0.010 0.000 2.541 332 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.201 332 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.201 332 G C 0.847 175.748 174.900 0.001 0.000 1.026 332 G CA 0.294 45.396 45.100 0.004 0.000 0.687 332 G HN 0.549 nan 8.290 nan 0.000 0.492 333 D N 1.237 121.637 120.400 -0.001 0.000 2.103 333 D HA 0.049 4.689 4.640 -0.000 0.000 0.199 333 D C 1.526 177.831 176.300 0.009 0.000 0.978 333 D CA 0.349 54.349 54.000 0.001 0.000 0.829 333 D CB -0.308 40.488 40.800 -0.006 0.000 0.981 333 D HN 0.476 nan 8.370 nan 0.000 0.464 334 L N 1.104 122.335 121.223 0.014 0.000 2.456 334 L HA 0.031 4.371 4.340 -0.000 0.000 0.272 334 L C 0.683 177.561 176.870 0.014 0.000 1.189 334 L CA -0.036 54.816 54.840 0.021 0.000 0.846 334 L CB 0.585 42.659 42.059 0.025 0.000 1.111 334 L HN -0.048 nan 8.230 nan 0.000 0.475 335 Q N 3.111 122.921 119.800 0.017 0.000 3.091 335 Q HA 0.220 4.560 4.340 -0.000 0.000 0.301 335 Q C -0.573 175.432 176.000 0.007 0.000 1.337 335 Q CA -0.295 55.514 55.803 0.009 0.000 1.083 335 Q CB 0.439 29.184 28.738 0.012 0.000 1.477 335 Q HN 0.364 nan 8.270 nan 0.000 0.537 336 V N 0.694 120.607 119.914 -0.002 0.000 2.715 336 V HA 0.109 4.229 4.120 -0.000 0.000 0.299 336 V C 1.797 177.878 176.094 -0.022 0.000 1.054 336 V CA 0.342 62.636 62.300 -0.010 0.000 1.077 336 V CB 0.708 32.516 31.823 -0.025 0.000 0.972 336 V HN 0.703 nan 8.190 nan 0.000 0.484 337 A N 4.382 127.192 122.820 -0.016 0.000 1.906 337 A HA -0.266 4.054 4.320 -0.000 0.000 0.236 337 A C 1.107 178.669 177.584 -0.035 0.000 1.793 337 A CA 2.452 54.477 52.037 -0.020 0.000 0.813 337 A CB -0.751 18.239 19.000 -0.017 0.000 0.841 337 A HN 0.901 nan 8.150 nan 0.000 0.491 338 N N 0.562 119.227 118.700 -0.057 0.000 2.955 338 N HA 0.343 5.083 4.740 -0.000 0.000 0.242 338 N C 0.105 175.551 175.510 -0.106 0.000 1.123 338 N CA 0.426 53.433 53.050 -0.071 0.000 0.949 338 N CB 0.677 39.120 38.487 -0.073 0.000 1.214 338 N HN 0.601 nan 8.380 nan 0.000 0.504 339 G N 1.781 110.531 108.800 -0.083 0.000 2.280 339 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.273 339 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.273 339 G C 0.122 174.944 174.900 -0.130 0.000 0.778 339 G CA 0.447 45.493 45.100 -0.090 0.000 1.067 339 G HN 0.435 nan 8.290 nan 0.000 0.325 340 K N 2.957 123.235 120.400 -0.204 0.000 2.540 340 K HA 0.282 4.602 4.320 -0.000 0.000 0.218 340 K C -0.259 176.283 176.600 -0.097 0.000 1.017 340 K CA -0.645 55.477 56.287 -0.276 0.000 1.029 340 K CB 1.804 33.824 32.500 -0.799 0.000 1.348 340 K HN 0.283 nan 8.250 nan 0.000 0.508 341 V N 4.008 123.916 119.914 -0.011 0.000 2.508 341 V HA 0.156 4.276 4.120 -0.000 0.000 0.281 341 V C 0.559 176.711 176.094 0.096 0.000 1.041 341 V CA -0.345 61.981 62.300 0.044 0.000 1.016 341 V CB 0.814 32.648 31.823 0.018 0.000 0.984 341 V HN 0.475 nan 8.190 nan 0.000 0.478 342 V N 2.238 122.220 119.914 0.113 0.000 3.119 342 V HA 0.906 5.026 4.120 -0.000 0.000 0.309 342 V C -0.045 176.075 176.094 0.043 0.000 1.304 342 V CA -0.274 62.080 62.300 0.091 0.000 1.057 342 V CB 1.865 33.751 31.823 0.105 0.000 1.150 342 V HN 0.816 nan 8.190 nan 0.000 0.474 343 S N -1.291 114.421 115.700 0.020 0.000 2.767 343 S HA 0.417 4.887 4.470 -0.000 0.000 0.300 343 S C 0.951 175.550 174.600 -0.002 0.000 1.123 343 S CA 0.309 58.513 58.200 0.007 0.000 0.992 343 S CB 1.038 64.238 63.200 -0.000 0.000 1.138 343 S HN 0.943 nan 8.310 nan 0.000 0.550 344 T N 1.648 116.198 114.554 -0.006 0.000 2.635 344 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 344 T C 1.739 176.428 174.700 -0.017 0.000 1.040 344 T CA 2.212 64.306 62.100 -0.010 0.000 1.156 344 T CB -0.771 68.092 68.868 -0.009 0.000 0.863 344 T HN 0.556 nan 8.240 nan 0.000 0.430 345 I N 1.147 121.706 120.570 -0.019 0.000 2.163 345 I HA -0.153 4.017 4.170 -0.000 0.000 0.243 345 I C 2.569 178.663 176.117 -0.040 0.000 1.085 345 I CA 1.494 62.778 61.300 -0.027 0.000 1.347 345 I CB -0.580 37.405 38.000 -0.024 0.000 1.044 345 I HN 0.300 nan 8.210 nan 0.000 0.408 346 E N 0.727 120.902 120.200 -0.042 0.000 2.031 346 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 346 E C 2.219 178.760 176.600 -0.097 0.000 0.994 346 E CA 1.128 57.486 56.400 -0.069 0.000 0.800 346 E CB -0.204 29.458 29.700 -0.063 0.000 0.752 346 E HN 0.296 nan 8.360 nan 0.000 0.447 347 L N 1.049 122.229 121.223 -0.071 0.000 2.129 347 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 347 L C 2.130 178.956 176.870 -0.072 0.000 1.087 347 L CA 2.176 56.973 54.840 -0.072 0.000 0.757 347 L CB -0.836 41.212 42.059 -0.018 0.000 0.896 347 L HN 0.198 nan 8.230 nan 0.000 0.434 348 T N -1.034 113.487 114.554 -0.056 0.000 2.701 348 T HA -0.140 4.210 4.350 -0.000 0.000 0.263 348 T C 1.528 176.189 174.700 -0.064 0.000 1.040 348 T CA 1.310 63.379 62.100 -0.051 0.000 1.147 348 T CB -0.374 68.469 68.868 -0.041 0.000 0.865 348 T HN 0.330 nan 8.240 nan 0.000 0.426 349 D N 0.897 121.254 120.400 -0.072 0.000 2.158 349 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 349 D C 2.417 178.660 176.300 -0.096 0.000 0.995 349 D CA 0.805 54.759 54.000 -0.077 0.000 0.846 349 D CB -0.117 40.636 40.800 -0.077 0.000 0.941 349 D HN 0.177 nan 8.370 nan 0.000 0.456 350 R N 0.317 120.739 120.500 -0.131 0.000 2.070 350 R HA -0.040 4.300 4.340 -0.000 0.000 0.233 350 R C 2.683 178.920 176.300 -0.104 0.000 1.137 350 R CA 0.393 56.396 56.100 -0.162 0.000 0.945 350 R CB -1.177 28.970 30.300 -0.254 0.000 0.845 350 R HN 0.312 nan 8.270 nan 0.000 0.430 351 L N 0.583 121.756 121.223 -0.082 0.000 2.043 351 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 351 L C 2.519 179.360 176.870 -0.048 0.000 1.075 351 L CA 1.372 56.178 54.840 -0.057 0.000 0.752 351 L CB -0.560 41.472 42.059 -0.045 0.000 0.891 351 L HN 0.103 nan 8.230 nan 0.000 0.432 352 I N -0.522 120.017 120.570 -0.051 0.000 2.202 352 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 352 I C 2.596 178.687 176.117 -0.042 0.000 1.091 352 I CA 1.312 62.586 61.300 -0.043 0.000 1.368 352 I CB -0.375 37.598 38.000 -0.045 0.000 1.058 352 I HN 0.316 nan 8.210 nan 0.000 0.410 353 E N 1.477 121.646 120.200 -0.052 0.000 2.049 353 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 353 E C 2.101 178.678 176.600 -0.039 0.000 1.007 353 E CA 1.395 57.766 56.400 -0.048 0.000 0.809 353 E CB 0.149 29.811 29.700 -0.064 0.000 0.749 353 E HN 0.229 nan 8.360 nan 0.000 0.450 354 K N 0.194 120.569 120.400 -0.041 0.000 2.211 354 K HA -0.138 4.181 4.320 -0.000 0.000 0.204 354 K C 2.164 178.750 176.600 -0.022 0.000 1.047 354 K CA 0.792 57.062 56.287 -0.028 0.000 0.935 354 K CB -0.207 32.276 32.500 -0.028 0.000 0.728 354 K HN 0.330 nan 8.250 nan 0.000 0.452 355 L N 0.154 121.362 121.223 -0.024 0.000 2.131 355 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 355 L C 0.548 177.406 176.870 -0.019 0.000 1.087 355 L CA 0.942 55.770 54.840 -0.020 0.000 0.767 355 L CB -0.308 41.739 42.059 -0.021 0.000 0.917 355 L HN 0.148 nan 8.230 nan 0.000 0.441 356 N N 0.497 119.184 118.700 -0.022 0.000 2.758 356 N HA 0.085 4.825 4.740 -0.000 0.000 0.293 356 N C -0.406 175.093 175.510 -0.018 0.000 1.273 356 N CA -0.217 52.821 53.050 -0.020 0.000 1.022 356 N CB 0.128 38.602 38.487 -0.022 0.000 1.334 356 N HN 0.286 nan 8.380 nan 0.000 0.519 357 N N 0.000 118.691 118.700 -0.015 0.000 1.763 357 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 357 N CA 0.000 53.043 53.050 -0.012 0.000 0.885 357 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 357 N HN 0.000 nan 8.380 nan 0.000 0.667