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 2y01_1_B DATA FIRST_RESID 33 DATA SEQUENCE AELLSQQWEA GMSLLMALVV LLIVAGNVLV IAAIGSTQRL QTLTNLFITS DATA SEQUENCE LACADLVVGL LVVPFGATLV VRGTWLWGSF LcELWTSLDV LCVTASIETL DATA SEQUENCE CVIAIDRYLA ITSPFRYQSL MTRARAKVII CTVWAISALV SFLPIMMHWW DATA SEQUENCE RDEDPQALKc YQDPGccDFV TNRAYAIASS IISFYIPLLI MIFVALRVYR DATA SEQUENCE EAKEQIRKID RXXXXXXXXX XXXXXXXXXX XXXXXXXXXA SKRKTSRVML DATA SEQUENCE MREHKALKTL GIIMGVFTLC WLPFFLVNIV NVFNRDLVPD WLFVAFNWLG DATA SEQUENCE YANSAMNPII YCRSPDFRKA FKRLLA 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.574 177.584 -0.016 0.000 1.274 33 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 33 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 34 E N 0.509 120.703 120.200 -0.010 0.000 2.204 34 E HA -0.066 4.278 4.350 -0.010 0.000 0.195 34 E C 1.751 178.355 176.600 0.007 0.000 0.990 34 E CA 1.233 57.631 56.400 -0.002 0.000 0.821 34 E CB -0.178 29.520 29.700 -0.003 0.000 0.750 34 E HN 0.577 nan 8.360 nan 0.000 0.477 35 L N 0.154 121.380 121.223 0.005 0.000 2.095 35 L HA -0.146 4.188 4.340 -0.010 0.000 0.204 35 L C 2.353 179.238 176.870 0.024 0.000 1.080 35 L CA 0.229 55.076 54.840 0.012 0.000 0.759 35 L CB -0.222 41.840 42.059 0.006 0.000 0.914 35 L HN 0.162 nan 8.230 nan 0.000 0.439 36 L N -0.291 120.942 121.223 0.016 0.000 2.079 36 L HA -0.215 4.119 4.340 -0.010 0.000 0.210 36 L C 2.815 179.722 176.870 0.062 0.000 1.081 36 L CA 2.032 56.887 54.840 0.025 0.000 0.752 36 L CB -0.763 41.288 42.059 -0.013 0.000 0.896 36 L HN 0.316 nan 8.230 nan 0.000 0.433 37 S N -1.476 114.251 115.700 0.044 0.000 2.368 37 S HA -0.231 4.233 4.470 -0.010 0.000 0.224 37 S C 1.925 176.605 174.600 0.134 0.000 1.029 37 S CA 1.314 59.564 58.200 0.084 0.000 0.988 37 S CB -0.225 62.995 63.200 0.034 0.000 0.838 37 S HN 0.614 nan 8.310 nan 0.000 0.462 38 Q N 0.368 120.215 119.800 0.079 0.000 2.084 38 Q HA -0.201 4.133 4.340 -0.010 0.000 0.202 38 Q C 2.475 178.515 176.000 0.065 0.000 0.978 38 Q CA 1.834 57.673 55.803 0.061 0.000 0.844 38 Q CB -0.263 28.494 28.738 0.031 0.000 0.898 38 Q HN 0.764 nan 8.270 nan 0.000 0.426 39 Q N -0.326 119.521 119.800 0.079 0.000 2.046 39 Q HA -0.212 4.122 4.340 -0.010 0.000 0.200 39 Q C 1.769 177.821 176.000 0.087 0.000 0.975 39 Q CA 1.407 57.250 55.803 0.065 0.000 0.836 39 Q CB -0.208 28.570 28.738 0.067 0.000 0.896 39 Q HN 0.459 nan 8.270 nan 0.000 0.428 40 W N 1.553 122.831 121.300 -0.037 0.000 2.381 40 W HA -0.112 4.542 4.660 -0.010 0.000 0.301 40 W C 1.836 178.329 176.519 -0.043 0.000 1.205 40 W CA 1.657 58.976 57.345 -0.044 0.000 1.285 40 W CB 0.061 29.495 29.460 -0.044 0.000 1.133 40 W HN 0.223 nan 8.180 nan 0.000 0.521 41 E N -0.346 119.948 120.200 0.155 0.000 2.110 41 E HA -0.215 4.129 4.350 -0.010 0.000 0.193 41 E C 2.207 178.733 176.600 -0.122 0.000 0.988 41 E CA 1.364 57.768 56.400 0.006 0.000 0.804 41 E CB -0.458 29.298 29.700 0.093 0.000 0.745 41 E HN 0.332 nan 8.360 nan 0.000 0.458 42 A N 0.888 123.657 122.820 -0.084 0.000 1.930 42 A HA 0.011 4.325 4.320 -0.010 0.000 0.215 42 A C 2.373 179.872 177.584 -0.142 0.000 1.176 42 A CA 1.369 53.351 52.037 -0.092 0.000 0.632 42 A CB -0.644 18.325 19.000 -0.051 0.000 0.819 42 A HN 0.329 nan 8.150 nan 0.000 0.445 43 G N -0.994 107.696 108.800 -0.183 0.000 2.403 43 G HA2 -0.098 3.856 3.960 -0.010 0.000 0.216 43 G HA3 -0.098 3.856 3.960 -0.010 0.000 0.216 43 G C 1.466 176.186 174.900 -0.301 0.000 1.154 43 G CA 1.306 46.282 45.100 -0.208 0.000 0.784 43 G HN 0.364 nan 8.290 nan 0.000 0.538 44 M N 1.266 120.579 119.600 -0.478 0.000 2.200 44 M HA 0.108 4.582 4.480 -0.010 0.000 0.265 44 M C 2.648 178.732 176.300 -0.360 0.000 1.066 44 M CA 1.044 55.998 55.300 -0.576 0.000 1.127 44 M CB -0.276 31.684 32.600 -1.067 0.000 1.379 44 M HN 0.136 nan 8.290 nan 0.000 0.420 45 S N 0.138 115.674 115.700 -0.273 0.000 2.399 45 S HA -0.122 4.342 4.470 -0.010 0.000 0.231 45 S C 1.768 176.286 174.600 -0.136 0.000 1.022 45 S CA 1.178 59.278 58.200 -0.167 0.000 0.983 45 S CB -0.467 62.661 63.200 -0.120 0.000 0.803 45 S HN 0.422 nan 8.310 nan 0.000 0.480 46 L N 0.840 121.976 121.223 -0.144 0.000 2.072 46 L HA 0.047 4.381 4.340 -0.010 0.000 0.205 46 L C 2.079 178.884 176.870 -0.110 0.000 1.079 46 L CA 1.028 55.802 54.840 -0.110 0.000 0.752 46 L CB -0.441 41.557 42.059 -0.103 0.000 0.906 46 L HN 0.251 nan 8.230 nan 0.000 0.436 47 L N -1.198 119.937 121.223 -0.147 0.000 2.017 47 L HA -0.205 4.130 4.340 -0.010 0.000 0.208 47 L C 2.341 179.141 176.870 -0.116 0.000 1.073 47 L CA 1.859 56.615 54.840 -0.140 0.000 0.745 47 L CB -0.536 41.407 42.059 -0.192 0.000 0.894 47 L HN 0.208 nan 8.230 nan 0.000 0.432 48 M N -0.441 119.077 119.600 -0.137 0.000 2.108 48 M HA -0.152 4.322 4.480 -0.010 0.000 0.261 48 M C 2.419 178.704 176.300 -0.026 0.000 1.066 48 M CA 1.850 57.103 55.300 -0.078 0.000 1.107 48 M CB -1.869 30.683 32.600 -0.080 0.000 1.356 48 M HN 0.445 nan 8.290 nan 0.000 0.406 49 A N -0.061 122.731 122.820 -0.046 0.000 1.930 49 A HA -0.133 4.181 4.320 -0.010 0.000 0.217 49 A C 2.241 179.810 177.584 -0.024 0.000 1.175 49 A CA 1.335 53.352 52.037 -0.033 0.000 0.627 49 A CB -0.860 18.114 19.000 -0.043 0.000 0.815 49 A HN 0.439 nan 8.150 nan 0.000 0.443 50 L N -0.049 121.154 121.223 -0.033 0.000 2.017 50 L HA -0.104 4.230 4.340 -0.010 0.000 0.208 50 L C 2.327 179.193 176.870 -0.007 0.000 1.073 50 L CA 1.997 56.821 54.840 -0.026 0.000 0.745 50 L CB -0.634 41.402 42.059 -0.038 0.000 0.894 50 L HN 0.129 nan 8.230 nan 0.000 0.432 51 V N -0.822 119.095 119.914 0.006 0.000 2.287 51 V HA -0.313 3.801 4.120 -0.010 0.000 0.248 51 V C 2.548 178.674 176.094 0.053 0.000 1.053 51 V CA 1.829 64.157 62.300 0.046 0.000 1.027 51 V CB -0.614 31.267 31.823 0.096 0.000 0.646 51 V HN 0.388 nan 8.190 nan 0.000 0.447 52 V N -0.669 119.273 119.914 0.048 0.000 2.287 52 V HA -0.282 3.833 4.120 -0.010 0.000 0.248 52 V C 2.337 178.442 176.094 0.017 0.000 1.053 52 V CA 2.186 64.508 62.300 0.036 0.000 1.027 52 V CB -0.558 31.277 31.823 0.021 0.000 0.646 52 V HN 0.438 nan 8.190 nan 0.000 0.447 53 L N -1.020 120.205 121.223 0.004 0.000 2.046 53 L HA -0.157 4.177 4.340 -0.010 0.000 0.208 53 L C 2.226 179.092 176.870 -0.007 0.000 1.077 53 L CA 1.588 56.425 54.840 -0.006 0.000 0.747 53 L CB -0.414 41.637 42.059 -0.014 0.000 0.896 53 L HN 0.273 nan 8.230 nan 0.000 0.432 54 L N -0.623 120.597 121.223 -0.005 0.000 2.056 54 L HA -0.186 4.149 4.340 -0.010 0.000 0.207 54 L C 2.237 179.103 176.870 -0.005 0.000 1.078 54 L CA 1.805 56.638 54.840 -0.012 0.000 0.749 54 L CB -0.437 41.618 42.059 -0.007 0.000 0.901 54 L HN 0.205 nan 8.230 nan 0.000 0.433 55 I N -1.964 118.615 120.570 0.016 0.000 2.252 55 I HA -0.238 3.926 4.170 -0.010 0.000 0.245 55 I C 2.218 178.351 176.117 0.027 0.000 1.102 55 I CA 0.888 62.205 61.300 0.028 0.000 1.385 55 I CB -0.271 37.758 38.000 0.049 0.000 1.064 55 I HN 0.048 nan 8.210 nan 0.000 0.414 56 V N 0.827 120.753 119.914 0.020 0.000 2.346 56 V HA -0.182 3.932 4.120 -0.010 0.000 0.244 56 V C 2.694 178.795 176.094 0.011 0.000 1.037 56 V CA 1.762 64.074 62.300 0.021 0.000 1.029 56 V CB -0.952 30.880 31.823 0.016 0.000 0.663 56 V HN 0.439 nan 8.190 nan 0.000 0.454 57 A N 0.881 123.697 122.820 -0.007 0.000 1.851 57 A HA -0.149 4.165 4.320 -0.010 0.000 0.216 57 A C 2.461 180.017 177.584 -0.046 0.000 1.195 57 A CA 2.220 54.242 52.037 -0.025 0.000 0.622 57 A CB -1.525 17.451 19.000 -0.039 0.000 0.831 57 A HN 0.524 nan 8.150 nan 0.000 0.444 58 G N -0.367 108.396 108.800 -0.062 0.000 2.505 58 G HA2 -0.327 3.627 3.960 -0.010 0.000 0.220 58 G HA3 -0.327 3.627 3.960 -0.010 0.000 0.220 58 G C 1.467 176.353 174.900 -0.023 0.000 1.145 58 G CA 1.254 46.296 45.100 -0.097 0.000 0.761 58 G HN 0.566 nan 8.290 nan 0.000 0.571 59 N N -0.152 118.569 118.700 0.035 0.000 2.368 59 N HA -0.007 4.728 4.740 -0.010 0.000 0.176 59 N C 2.331 177.910 175.510 0.115 0.000 1.021 59 N CA 0.594 53.704 53.050 0.099 0.000 0.888 59 N CB 0.116 38.664 38.487 0.102 0.000 0.995 59 N HN 0.184 nan 8.380 nan 0.000 0.437 60 V N 2.093 122.054 119.914 0.078 0.000 2.343 60 V HA -0.168 3.947 4.120 -0.010 0.000 0.247 60 V C 2.463 178.627 176.094 0.117 0.000 1.051 60 V CA 1.142 63.491 62.300 0.082 0.000 1.036 60 V CB -0.425 31.428 31.823 0.051 0.000 0.654 60 V HN 0.222 nan 8.190 nan 0.000 0.451 61 L N -0.605 120.677 121.223 0.098 0.000 2.012 61 L HA -0.197 4.137 4.340 -0.010 0.000 0.210 61 L C 2.473 179.594 176.870 0.419 0.000 1.073 61 L CA 1.403 56.344 54.840 0.169 0.000 0.748 61 L CB -0.572 41.422 42.059 -0.108 0.000 0.891 61 L HN 0.202 nan 8.230 nan 0.000 0.431 62 V N 0.082 120.247 119.914 0.417 0.000 2.295 62 V HA -0.308 3.807 4.120 -0.010 0.000 0.246 62 V C 2.254 178.562 176.094 0.357 0.000 1.049 62 V CA 1.955 64.569 62.300 0.523 0.000 1.024 62 V CB -0.317 31.779 31.823 0.455 0.000 0.648 62 V HN 0.321 nan 8.190 nan 0.000 0.447 63 I N 0.366 121.082 120.570 0.243 0.000 2.202 63 I HA -0.200 3.965 4.170 -0.010 0.000 0.242 63 I C 2.660 178.860 176.117 0.138 0.000 1.091 63 I CA 1.478 62.878 61.300 0.166 0.000 1.368 63 I CB -0.622 37.452 38.000 0.123 0.000 1.058 63 I HN 0.265 nan 8.210 nan 0.000 0.410 64 A N 0.756 123.663 122.820 0.145 0.000 1.933 64 A HA -0.152 4.162 4.320 -0.010 0.000 0.218 64 A C 2.538 180.189 177.584 0.112 0.000 1.175 64 A CA 1.840 53.946 52.037 0.115 0.000 0.628 64 A CB -0.837 18.231 19.000 0.114 0.000 0.814 64 A HN 0.429 nan 8.150 nan 0.000 0.444 65 A N 0.023 122.947 122.820 0.174 0.000 1.858 65 A HA -0.107 4.207 4.320 -0.010 0.000 0.216 65 A C 2.129 179.697 177.584 -0.028 0.000 1.190 65 A CA 1.597 53.687 52.037 0.088 0.000 0.617 65 A CB -0.640 18.442 19.000 0.136 0.000 0.827 65 A HN 0.482 nan 8.150 nan 0.000 0.443 66 I N -0.290 120.290 120.570 0.017 0.000 2.286 66 I HA -0.195 3.970 4.170 -0.010 0.000 0.248 66 I C 2.528 178.626 176.117 -0.031 0.000 1.115 66 I CA 1.140 62.416 61.300 -0.040 0.000 1.392 66 I CB -0.404 37.618 38.000 0.036 0.000 1.065 66 I HN 0.415 nan 8.210 nan 0.000 0.418 67 G N -0.500 108.304 108.800 0.007 0.000 2.598 67 G HA2 -0.156 3.798 3.960 -0.010 0.000 0.215 67 G HA3 -0.156 3.798 3.960 -0.010 0.000 0.215 67 G C 1.524 176.418 174.900 -0.011 0.000 1.131 67 G CA 1.008 46.109 45.100 0.001 0.000 0.785 67 G HN 0.524 nan 8.290 nan 0.000 0.539 68 S N -1.876 113.813 115.700 -0.018 0.000 2.631 68 S HA 0.180 4.644 4.470 -0.010 0.000 0.246 68 S C 0.629 175.203 174.600 -0.042 0.000 1.068 68 S CA -0.055 58.134 58.200 -0.019 0.000 0.995 68 S CB 0.555 63.755 63.200 0.000 0.000 0.944 68 S HN -0.026 nan 8.310 nan 0.000 0.529 69 T N 3.673 118.183 114.554 -0.074 0.000 2.743 69 T HA 0.312 4.656 4.350 -0.010 0.000 0.293 69 T C 0.893 175.530 174.700 -0.107 0.000 0.945 69 T CA -0.458 61.579 62.100 -0.105 0.000 1.030 69 T CB 1.502 70.268 68.868 -0.170 0.000 0.912 69 T HN 0.300 nan 8.240 nan 0.000 0.483 70 Q N 2.958 122.708 119.800 -0.083 0.000 2.172 70 Q HA -0.048 4.286 4.340 -0.010 0.000 0.200 70 Q C 2.013 177.963 176.000 -0.083 0.000 0.964 70 Q CA 0.811 56.571 55.803 -0.070 0.000 0.855 70 Q CB 0.045 28.753 28.738 -0.051 0.000 0.918 70 Q HN 0.499 nan 8.270 nan 0.000 0.444 71 R N 0.661 121.101 120.500 -0.100 0.000 2.339 71 R HA 0.046 4.380 4.340 -0.010 0.000 0.199 71 R C 1.360 177.572 176.300 -0.147 0.000 1.018 71 R CA 0.249 56.285 56.100 -0.107 0.000 1.036 71 R CB 0.164 30.401 30.300 -0.104 0.000 0.899 71 R HN 0.205 nan 8.270 nan 0.000 0.473 72 L N -0.542 120.571 121.223 -0.184 0.000 2.766 72 L HA 0.168 4.502 4.340 -0.010 0.000 0.242 72 L C 0.309 177.089 176.870 -0.150 0.000 1.136 72 L CA 0.006 54.703 54.840 -0.238 0.000 0.933 72 L CB 0.592 42.394 42.059 -0.429 0.000 1.241 72 L HN 0.021 nan 8.230 nan 0.000 0.522 73 Q N 1.520 121.256 119.800 -0.107 0.000 3.047 73 Q HA 0.024 4.359 4.340 -0.010 0.000 0.273 73 Q C 0.618 176.582 176.000 -0.060 0.000 1.243 73 Q CA 0.023 55.781 55.803 -0.075 0.000 0.929 73 Q CB -0.158 28.544 28.738 -0.061 0.000 1.721 73 Q HN 0.317 nan 8.270 nan 0.000 0.471 74 T N -4.005 110.514 114.554 -0.058 0.000 2.862 74 T HA 0.321 4.665 4.350 -0.010 0.000 0.276 74 T C 1.111 175.775 174.700 -0.059 0.000 0.974 74 T CA -0.756 61.324 62.100 -0.034 0.000 0.966 74 T CB 0.845 69.706 68.868 -0.011 0.000 1.072 74 T HN 0.305 nan 8.240 nan 0.000 0.538 75 L N 0.163 121.358 121.223 -0.047 0.000 2.072 75 L HA -0.018 4.317 4.340 -0.010 0.000 0.205 75 L C 3.158 179.877 176.870 -0.252 0.000 1.079 75 L CA 1.175 55.924 54.840 -0.151 0.000 0.752 75 L CB -1.069 40.946 42.059 -0.074 0.000 0.906 75 L HN 0.817 nan 8.230 nan 0.000 0.436 76 T N -0.223 114.322 114.554 -0.014 0.000 2.737 76 T HA -0.174 4.170 4.350 -0.010 0.000 0.269 76 T C 1.593 176.330 174.700 0.062 0.000 1.040 76 T CA 1.496 63.673 62.100 0.129 0.000 1.142 76 T CB -0.286 68.679 68.868 0.163 0.000 0.861 76 T HN 0.260 nan 8.240 nan 0.000 0.456 77 N N 0.791 119.488 118.700 -0.005 0.000 2.512 77 N HA 0.135 4.869 4.740 -0.010 0.000 0.183 77 N C 1.619 177.119 175.510 -0.017 0.000 1.073 77 N CA 0.308 53.367 53.050 0.016 0.000 0.911 77 N CB -0.338 38.154 38.487 0.009 0.000 0.964 77 N HN 0.386 nan 8.380 nan 0.000 0.447 78 L N -0.767 120.364 121.223 -0.152 0.000 2.109 78 L HA -0.049 4.285 4.340 -0.010 0.000 0.207 78 L C 1.481 178.306 176.870 -0.075 0.000 1.086 78 L CA 0.776 55.509 54.840 -0.179 0.000 0.760 78 L CB -0.294 41.565 42.059 -0.333 0.000 0.910 78 L HN 0.022 nan 8.230 nan 0.000 0.437 79 F N -0.361 119.640 119.950 0.085 0.000 2.186 79 F HA -0.184 4.338 4.527 -0.009 0.000 0.299 79 F C 2.421 178.284 175.800 0.106 0.000 1.090 79 F CA 0.642 58.697 58.000 0.092 0.000 1.307 79 F CB -0.688 38.354 39.000 0.070 0.000 1.019 79 F HN -0.069 nan 8.300 nan 0.000 0.489 80 I N -0.068 120.658 120.570 0.260 0.000 2.208 80 I HA -0.280 3.884 4.170 -0.010 0.000 0.245 80 I C 2.274 178.518 176.117 0.211 0.000 1.097 80 I CA 1.658 63.079 61.300 0.203 0.000 1.363 80 I CB -1.798 36.260 38.000 0.098 0.000 1.051 80 I HN 0.159 nan 8.210 nan 0.000 0.413 81 T N 0.127 114.785 114.554 0.174 0.000 2.746 81 T HA -0.174 4.170 4.350 -0.010 0.000 0.267 81 T C 2.183 177.004 174.700 0.202 0.000 1.039 81 T CA 1.881 64.080 62.100 0.165 0.000 1.142 81 T CB -0.250 68.681 68.868 0.105 0.000 0.866 81 T HN 0.288 nan 8.240 nan 0.000 0.444 82 S N 0.689 116.538 115.700 0.248 0.000 2.359 82 S HA -0.098 4.366 4.470 -0.010 0.000 0.224 82 S C 1.972 176.807 174.600 0.393 0.000 1.035 82 S CA 0.923 59.343 58.200 0.367 0.000 1.018 82 S CB -0.514 62.953 63.200 0.446 0.000 0.876 82 S HN 0.266 nan 8.310 nan 0.000 0.448 83 L N 1.664 123.062 121.223 0.291 0.000 2.079 83 L HA 0.023 4.357 4.340 -0.010 0.000 0.210 83 L C 2.486 179.506 176.870 0.251 0.000 1.081 83 L CA 2.023 57.005 54.840 0.235 0.000 0.752 83 L CB -1.189 40.987 42.059 0.195 0.000 0.896 83 L HN 0.368 nan 8.230 nan 0.000 0.433 84 A N -2.088 120.882 122.820 0.249 0.000 1.969 84 A HA -0.193 4.121 4.320 -0.010 0.000 0.218 84 A C 2.382 180.087 177.584 0.202 0.000 1.169 84 A CA 1.550 53.721 52.037 0.223 0.000 0.635 84 A CB -1.241 17.893 19.000 0.224 0.000 0.810 84 A HN 0.577 nan 8.150 nan 0.000 0.445 85 C N -1.067 118.365 119.300 0.220 0.000 2.440 85 C HA 0.116 4.570 4.460 -0.010 0.000 0.278 85 C C 3.286 178.435 174.990 0.266 0.000 1.295 85 C CA 0.594 59.721 59.018 0.181 0.000 1.738 85 C CB -1.248 26.550 27.740 0.098 0.000 1.987 85 C HN 0.707 nan 8.230 nan 0.000 0.492 86 A N 0.977 124.053 122.820 0.427 0.000 1.883 86 A HA -0.223 4.091 4.320 -0.010 0.000 0.217 86 A C 1.812 179.550 177.584 0.256 0.000 1.186 86 A CA 2.215 54.511 52.037 0.432 0.000 0.624 86 A CB -0.627 18.561 19.000 0.312 0.000 0.822 86 A HN 0.547 nan 8.150 nan 0.000 0.444 87 D N -0.575 119.956 120.400 0.219 0.000 2.144 87 D HA -0.106 4.528 4.640 -0.010 0.000 0.200 87 D C 1.819 178.198 176.300 0.130 0.000 0.978 87 D CA 1.055 55.158 54.000 0.172 0.000 0.833 87 D CB -0.331 40.568 40.800 0.165 0.000 0.961 87 D HN 0.320 nan 8.370 nan 0.000 0.470 88 L N 0.791 122.091 121.223 0.130 0.000 2.046 88 L HA -0.127 4.207 4.340 -0.010 0.000 0.208 88 L C 2.225 179.144 176.870 0.082 0.000 1.077 88 L CA 1.235 56.132 54.840 0.095 0.000 0.747 88 L CB -0.463 41.648 42.059 0.087 0.000 0.896 88 L HN -0.140 nan 8.230 nan 0.000 0.432 89 V N -1.508 118.467 119.914 0.102 0.000 2.490 89 V HA -0.239 3.875 4.120 -0.010 0.000 0.250 89 V C 2.494 178.630 176.094 0.070 0.000 1.061 89 V CA 1.395 63.751 62.300 0.093 0.000 1.064 89 V CB -0.458 31.443 31.823 0.130 0.000 0.670 89 V HN 0.311 nan 8.190 nan 0.000 0.461 90 V N 1.024 120.973 119.914 0.060 0.000 2.295 90 V HA -0.171 3.943 4.120 -0.010 0.000 0.246 90 V C 2.634 178.720 176.094 -0.014 0.000 1.049 90 V CA 2.247 64.540 62.300 -0.012 0.000 1.024 90 V CB -1.295 30.531 31.823 0.005 0.000 0.648 90 V HN 0.603 nan 8.190 nan 0.000 0.447 91 G N -0.633 108.185 108.800 0.029 0.000 2.418 91 G HA2 -0.178 3.776 3.960 -0.010 0.000 0.217 91 G HA3 -0.178 3.776 3.960 -0.010 0.000 0.217 91 G C 1.559 176.478 174.900 0.031 0.000 1.158 91 G CA 0.823 45.943 45.100 0.033 0.000 0.771 91 G HN 0.476 nan 8.290 nan 0.000 0.545 92 L N -0.963 120.284 121.223 0.040 0.000 2.307 92 L HA 0.325 4.659 4.340 -0.010 0.000 0.211 92 L C 2.379 179.286 176.870 0.061 0.000 1.099 92 L CA 0.326 55.187 54.840 0.035 0.000 0.816 92 L CB 0.062 42.143 42.059 0.037 0.000 0.952 92 L HN 0.177 nan 8.230 nan 0.000 0.455 93 L N -2.881 118.410 121.223 0.113 0.000 2.641 93 L HA 0.095 4.429 4.340 -0.010 0.000 0.207 93 L C 2.113 179.198 176.870 0.360 0.000 1.049 93 L CA -0.026 54.964 54.840 0.251 0.000 0.866 93 L CB 0.036 42.230 42.059 0.225 0.000 1.264 93 L HN -0.193 nan 8.230 nan 0.000 0.483 94 V N 0.005 120.025 119.914 0.176 0.000 2.270 94 V HA -0.215 3.899 4.120 -0.010 0.000 0.245 94 V C 2.346 178.524 176.094 0.141 0.000 1.043 94 V CA 1.745 64.137 62.300 0.153 0.000 1.014 94 V CB -0.213 31.457 31.823 -0.255 0.000 0.645 94 V HN 0.152 nan 8.190 nan 0.000 0.447 95 V N 0.231 120.092 119.914 -0.088 0.000 2.307 95 V HA -0.113 4.001 4.120 -0.010 0.000 0.245 95 V C 0.128 176.318 176.094 0.161 0.000 1.045 95 V CA 2.321 64.606 62.300 -0.025 0.000 1.024 95 V CB -1.773 30.066 31.823 0.027 0.000 0.651 95 V HN 0.493 nan 8.190 nan 0.000 0.449 96 P HA -0.178 nan 4.420 nan 0.000 0.216 96 P C 1.614 178.857 177.300 -0.095 0.000 1.157 96 P CA 1.725 64.803 63.100 -0.036 0.000 0.880 96 P CB -0.132 31.471 31.700 -0.162 0.000 0.791 97 F N -0.415 119.463 119.950 -0.121 0.000 2.102 97 F HA -0.056 4.465 4.527 -0.009 0.000 0.298 97 F C 2.598 178.244 175.800 -0.256 0.000 1.105 97 F CA 2.023 59.822 58.000 -0.335 0.000 1.239 97 F CB -1.420 37.213 39.000 -0.612 0.000 0.991 97 F HN -0.072 nan 8.300 nan 0.000 0.474 98 G N -0.820 108.059 108.800 0.131 0.000 2.443 98 G HA2 -0.125 3.830 3.960 -0.010 0.000 0.219 98 G HA3 -0.125 3.830 3.960 -0.010 0.000 0.219 98 G C 1.847 177.072 174.900 0.542 0.000 1.131 98 G CA 0.723 46.044 45.100 0.369 0.000 0.775 98 G HN 0.459 nan 8.290 nan 0.000 0.547 99 A N 1.249 124.342 122.820 0.455 0.000 1.851 99 A HA -0.120 4.194 4.320 -0.010 0.000 0.216 99 A C 2.699 180.381 177.584 0.164 0.000 1.195 99 A CA 3.006 55.217 52.037 0.289 0.000 0.622 99 A CB -1.412 17.691 19.000 0.172 0.000 0.831 99 A HN 0.613 nan 8.150 nan 0.000 0.444 100 T N -1.955 112.668 114.554 0.115 0.000 2.897 100 T HA -0.155 4.189 4.350 -0.010 0.000 0.271 100 T C 1.637 176.402 174.700 0.109 0.000 1.084 100 T CA 1.668 63.826 62.100 0.096 0.000 1.123 100 T CB -0.382 68.586 68.868 0.168 0.000 0.865 100 T HN 0.284 nan 8.240 nan 0.000 0.496 101 L N 0.474 121.807 121.223 0.184 0.000 2.162 101 L HA 0.298 4.633 4.340 -0.010 0.000 0.205 101 L C 2.523 179.554 176.870 0.269 0.000 1.086 101 L CA 0.953 55.938 54.840 0.241 0.000 0.778 101 L CB -0.415 41.851 42.059 0.345 0.000 0.928 101 L HN 0.137 nan 8.230 nan 0.000 0.446 102 V N -1.200 118.892 119.914 0.298 0.000 2.283 102 V HA -0.217 3.897 4.120 -0.010 0.000 0.243 102 V C 2.447 178.728 176.094 0.311 0.000 1.039 102 V CA 1.629 64.108 62.300 0.299 0.000 1.016 102 V CB -0.308 31.632 31.823 0.195 0.000 0.650 102 V HN 0.278 nan 8.190 nan 0.000 0.449 103 V N 0.100 120.103 119.914 0.149 0.000 2.233 103 V HA -0.212 3.902 4.120 -0.010 0.000 0.247 103 V C 2.478 178.715 176.094 0.239 0.000 1.050 103 V CA 1.940 64.305 62.300 0.108 0.000 1.010 103 V CB -0.694 31.115 31.823 -0.022 0.000 0.637 103 V HN 0.436 nan 8.190 nan 0.000 0.444 104 R N -0.289 120.296 120.500 0.141 0.000 2.297 104 R HA 0.186 4.520 4.340 -0.010 0.000 0.197 104 R C 1.847 178.202 176.300 0.092 0.000 0.943 104 R CA 0.842 56.995 56.100 0.087 0.000 1.038 104 R CB -0.266 30.031 30.300 -0.006 0.000 0.957 104 R HN 0.669 nan 8.270 nan 0.000 0.484 105 G N 1.216 110.100 108.800 0.141 0.000 2.212 105 G HA2 -0.331 3.623 3.960 -0.010 0.000 0.266 105 G HA3 -0.331 3.623 3.960 -0.010 0.000 0.266 105 G C 0.406 175.371 174.900 0.108 0.000 0.978 105 G CA 1.108 46.276 45.100 0.113 0.000 0.632 105 G HN 0.538 nan 8.290 nan 0.000 0.537 106 T N -4.010 110.599 114.554 0.093 0.000 2.812 106 T HA 0.536 4.880 4.350 -0.010 0.000 0.294 106 T C -0.730 174.050 174.700 0.133 0.000 1.159 106 T CA -0.403 61.764 62.100 0.113 0.000 1.008 106 T CB 2.054 70.957 68.868 0.057 0.000 1.289 106 T HN 0.806 nan 8.240 nan 0.000 0.514 107 W N 2.625 123.927 121.300 0.004 0.000 2.358 107 W HA 0.391 5.047 4.660 -0.006 0.000 0.307 107 W C -0.394 176.036 176.519 -0.148 0.000 1.203 107 W CA -0.962 56.375 57.345 -0.013 0.000 1.279 107 W CB 0.530 30.040 29.460 0.084 0.000 1.264 107 W HN 0.680 nan 8.180 nan 0.000 0.474 108 L N 5.429 126.054 121.223 -0.997 0.000 2.592 108 L HA 0.025 4.360 4.340 -0.010 0.000 0.227 108 L C 0.788 177.010 176.870 -1.080 0.000 1.127 108 L CA 0.489 54.668 54.840 -1.102 0.000 0.884 108 L CB -0.082 41.070 42.059 -1.512 0.000 1.065 108 L HN 0.508 nan 8.230 nan 0.000 0.457 109 W N 0.144 121.070 121.300 -0.623 0.000 3.008 109 W HA 0.504 5.157 4.660 -0.011 0.000 0.355 109 W C 1.190 177.866 176.519 0.260 0.000 1.095 109 W CA 0.164 57.391 57.345 -0.197 0.000 1.738 109 W CB 0.436 29.726 29.460 -0.283 0.000 1.091 109 W HN 0.075 nan 8.180 nan 0.000 0.574 110 G N 0.599 109.724 108.800 0.542 0.000 2.757 110 G HA2 -0.263 3.691 3.960 -0.010 0.000 0.638 110 G HA3 -0.263 3.691 3.960 -0.010 0.000 0.638 110 G C 0.583 175.833 174.900 0.582 0.000 1.344 110 G CA -0.263 45.141 45.100 0.507 0.000 0.855 110 G HN -0.060 nan 8.290 nan 0.000 0.537 111 S N -0.789 115.149 115.700 0.396 0.000 2.355 111 S HA -0.009 4.455 4.470 -0.010 0.000 0.222 111 S C 2.002 176.793 174.600 0.319 0.000 1.031 111 S CA 2.210 60.598 58.200 0.313 0.000 0.993 111 S CB -0.332 63.031 63.200 0.273 0.000 0.859 111 S HN 0.830 nan 8.310 nan 0.000 0.453 112 F N 2.528 122.614 119.950 0.225 0.000 2.046 112 F HA -0.073 4.448 4.527 -0.010 0.000 0.297 112 F C 1.801 177.721 175.800 0.199 0.000 1.123 112 F CA 1.420 59.534 58.000 0.190 0.000 1.199 112 F CB -0.639 38.460 39.000 0.165 0.000 0.972 112 F HN 0.087 nan 8.300 nan 0.000 0.474 113 L N -0.353 120.964 121.223 0.158 0.000 2.187 113 L HA -0.263 4.071 4.340 -0.010 0.000 0.213 113 L C 2.837 179.775 176.870 0.114 0.000 1.100 113 L CA 1.170 56.051 54.840 0.069 0.000 0.765 113 L CB -0.954 41.321 42.059 0.359 0.000 0.904 113 L HN 0.525 nan 8.230 nan 0.000 0.437 114 c N 0.316 118.983 118.600 0.112 0.000 2.466 114 c HA -0.112 4.452 4.570 -0.010 0.000 0.278 114 c C 2.554 176.499 174.090 -0.242 0.000 1.288 114 c CA 0.828 56.920 56.329 -0.395 0.000 1.722 114 c CB -0.463 41.622 42.510 -0.708 0.000 2.017 114 c HN 0.527 nan 8.230 nan 0.000 0.488 115 E N 0.145 120.252 120.200 -0.156 0.000 2.072 115 E HA -0.177 4.167 4.350 -0.010 0.000 0.191 115 E C 1.985 178.435 176.600 -0.250 0.000 0.985 115 E CA 1.209 57.513 56.400 -0.160 0.000 0.801 115 E CB -0.306 29.402 29.700 0.012 0.000 0.750 115 E HN 0.600 nan 8.360 nan 0.000 0.452 116 L N 0.336 121.354 121.223 -0.342 0.000 2.046 116 L HA -0.160 4.174 4.340 -0.010 0.000 0.208 116 L C 2.034 178.759 176.870 -0.242 0.000 1.077 116 L CA 1.730 56.383 54.840 -0.310 0.000 0.747 116 L CB -0.561 41.217 42.059 -0.468 0.000 0.896 116 L HN 0.281 nan 8.230 nan 0.000 0.432 117 W N 0.240 121.280 121.300 -0.434 0.000 2.355 117 W HA -0.209 4.446 4.660 -0.010 0.000 0.309 117 W C 2.344 178.625 176.519 -0.396 0.000 1.206 117 W CA 2.492 59.581 57.345 -0.428 0.000 1.284 117 W CB -0.826 28.392 29.460 -0.403 0.000 1.145 117 W HN 0.098 nan 8.180 nan 0.000 0.502 118 T N 0.344 114.525 114.554 -0.623 0.000 2.652 118 T HA -0.254 4.090 4.350 -0.010 0.000 0.267 118 T C 1.977 176.222 174.700 -0.759 0.000 1.039 118 T CA 2.251 63.815 62.100 -0.893 0.000 1.153 118 T CB -0.901 67.493 68.868 -0.790 0.000 0.863 118 T HN 0.141 nan 8.240 nan 0.000 0.428 119 S N 1.311 116.654 115.700 -0.595 0.000 2.368 119 S HA -0.098 4.366 4.470 -0.010 0.000 0.226 119 S C 2.029 176.199 174.600 -0.716 0.000 1.044 119 S CA 1.207 58.989 58.200 -0.696 0.000 1.062 119 S CB -0.619 62.114 63.200 -0.778 0.000 0.931 119 S HN 0.366 nan 8.310 nan 0.000 0.440 120 L N 1.071 121.977 121.223 -0.528 0.000 2.083 120 L HA -0.157 4.178 4.340 -0.010 0.000 0.209 120 L C 2.460 179.115 176.870 -0.359 0.000 1.083 120 L CA 1.351 55.987 54.840 -0.340 0.000 0.752 120 L CB -0.602 41.351 42.059 -0.176 0.000 0.899 120 L HN 0.284 nan 8.230 nan 0.000 0.433 121 D N 0.112 120.192 120.400 -0.533 0.000 2.084 121 D HA -0.149 4.486 4.640 -0.010 0.000 0.194 121 D C 2.145 178.209 176.300 -0.394 0.000 0.990 121 D CA 1.308 55.013 54.000 -0.491 0.000 0.826 121 D CB 0.046 40.405 40.800 -0.736 0.000 0.971 121 D HN 0.045 nan 8.370 nan 0.000 0.453 122 V N 0.910 120.558 119.914 -0.442 0.000 2.343 122 V HA -0.214 3.900 4.120 -0.010 0.000 0.247 122 V C 2.692 178.628 176.094 -0.264 0.000 1.051 122 V CA 1.510 63.620 62.300 -0.318 0.000 1.036 122 V CB -0.665 31.006 31.823 -0.254 0.000 0.654 122 V HN 0.236 nan 8.190 nan 0.000 0.451 123 L N -0.018 121.031 121.223 -0.289 0.000 2.012 123 L HA -0.208 4.126 4.340 -0.010 0.000 0.210 123 L C 2.391 179.161 176.870 -0.167 0.000 1.073 123 L CA 2.379 57.104 54.840 -0.191 0.000 0.748 123 L CB -0.827 41.162 42.059 -0.117 0.000 0.891 123 L HN 0.358 nan 8.230 nan 0.000 0.431 124 C N -2.088 117.135 119.300 -0.128 0.000 2.446 124 C HA -0.090 4.364 4.460 -0.010 0.000 0.277 124 C C 2.880 177.800 174.990 -0.117 0.000 1.275 124 C CA 0.876 59.852 59.018 -0.070 0.000 1.727 124 C CB -0.742 27.011 27.740 0.021 0.000 2.010 124 C HN 0.581 nan 8.230 nan 0.000 0.486 125 V N 0.772 120.566 119.914 -0.201 0.000 2.427 125 V HA -0.170 3.945 4.120 -0.010 0.000 0.248 125 V C 2.362 178.344 176.094 -0.186 0.000 1.051 125 V CA 2.744 64.869 62.300 -0.291 0.000 1.048 125 V CB -0.707 30.608 31.823 -0.847 0.000 0.666 125 V HN 0.641 nan 8.190 nan 0.000 0.456 126 T N 0.825 115.249 114.554 -0.216 0.000 2.674 126 T HA -0.107 4.238 4.350 -0.010 0.000 0.265 126 T C 2.032 176.561 174.700 -0.285 0.000 1.039 126 T CA 1.737 63.711 62.100 -0.211 0.000 1.150 126 T CB -0.634 68.124 68.868 -0.184 0.000 0.864 126 T HN 0.668 nan 8.240 nan 0.000 0.427 127 A N 1.194 123.770 122.820 -0.406 0.000 1.972 127 A HA -0.085 4.229 4.320 -0.010 0.000 0.219 127 A C 2.607 179.911 177.584 -0.468 0.000 1.169 127 A CA 1.868 53.511 52.037 -0.658 0.000 0.635 127 A CB -0.835 17.338 19.000 -1.378 0.000 0.810 127 A HN 0.417 nan 8.150 nan 0.000 0.446 128 S N -0.551 114.978 115.700 -0.285 0.000 2.343 128 S HA -0.142 4.322 4.470 -0.010 0.000 0.219 128 S C 1.893 176.241 174.600 -0.421 0.000 1.033 128 S CA 1.462 59.532 58.200 -0.216 0.000 1.014 128 S CB -0.399 62.840 63.200 0.066 0.000 0.915 128 S HN 0.549 nan 8.310 nan 0.000 0.435 129 I N 2.134 122.454 120.570 -0.417 0.000 2.226 129 I HA -0.133 4.031 4.170 -0.010 0.000 0.245 129 I C 2.043 177.944 176.117 -0.359 0.000 1.100 129 I CA 1.473 62.479 61.300 -0.490 0.000 1.374 129 I CB -0.609 37.249 38.000 -0.236 0.000 1.057 129 I HN 0.284 nan 8.210 nan 0.000 0.413 130 E N -0.516 119.504 120.200 -0.300 0.000 2.077 130 E HA -0.210 4.134 4.350 -0.010 0.000 0.193 130 E C 2.047 178.489 176.600 -0.264 0.000 0.989 130 E CA 1.938 58.181 56.400 -0.263 0.000 0.800 130 E CB -0.282 29.268 29.700 -0.250 0.000 0.746 130 E HN 0.504 nan 8.360 nan 0.000 0.452 131 T N 1.697 116.085 114.554 -0.276 0.000 2.746 131 T HA -0.134 4.210 4.350 -0.010 0.000 0.267 131 T C 1.971 176.530 174.700 -0.236 0.000 1.039 131 T CA 0.812 62.777 62.100 -0.224 0.000 1.142 131 T CB -0.201 68.586 68.868 -0.134 0.000 0.866 131 T HN 0.093 nan 8.240 nan 0.000 0.444 132 L N 0.326 121.388 121.223 -0.267 0.000 2.079 132 L HA -0.136 4.198 4.340 -0.010 0.000 0.210 132 L C 2.893 179.636 176.870 -0.213 0.000 1.081 132 L CA 0.874 55.566 54.840 -0.246 0.000 0.752 132 L CB -0.690 41.155 42.059 -0.357 0.000 0.896 132 L HN 0.393 nan 8.230 nan 0.000 0.433 133 C N -1.074 118.090 119.300 -0.227 0.000 2.432 133 C HA -0.137 4.317 4.460 -0.010 0.000 0.277 133 C C 2.825 177.697 174.990 -0.196 0.000 1.249 133 C CA 0.563 59.469 59.018 -0.187 0.000 1.725 133 C CB -0.461 27.172 27.740 -0.178 0.000 2.028 133 C HN 0.340 nan 8.230 nan 0.000 0.477 134 V N 1.093 120.847 119.914 -0.267 0.000 2.255 134 V HA -0.272 3.842 4.120 -0.010 0.000 0.247 134 V C 2.127 177.977 176.094 -0.407 0.000 1.051 134 V CA 2.361 64.431 62.300 -0.383 0.000 1.018 134 V CB -0.597 30.888 31.823 -0.564 0.000 0.641 134 V HN 0.530 nan 8.190 nan 0.000 0.445 135 I N 0.324 120.679 120.570 -0.358 0.000 2.194 135 I HA -0.311 3.853 4.170 -0.010 0.000 0.246 135 I C 2.592 178.672 176.117 -0.061 0.000 1.093 135 I CA 1.698 62.905 61.300 -0.155 0.000 1.355 135 I CB -0.544 37.437 38.000 -0.033 0.000 1.046 135 I HN 0.317 nan 8.210 nan 0.000 0.413 136 A N 0.518 123.290 122.820 -0.081 0.000 1.930 136 A HA -0.126 4.188 4.320 -0.010 0.000 0.217 136 A C 2.281 179.864 177.584 -0.003 0.000 1.175 136 A CA 1.366 53.379 52.037 -0.040 0.000 0.627 136 A CB -0.661 18.297 19.000 -0.069 0.000 0.815 136 A HN 0.388 nan 8.150 nan 0.000 0.443 137 I N -0.479 120.073 120.570 -0.031 0.000 2.286 137 I HA -0.206 3.958 4.170 -0.010 0.000 0.245 137 I C 2.237 178.422 176.117 0.114 0.000 1.104 137 I CA 1.705 63.022 61.300 0.028 0.000 1.397 137 I CB -0.337 37.649 38.000 -0.025 0.000 1.072 137 I HN 0.460 nan 8.210 nan 0.000 0.417 138 D N 0.735 121.187 120.400 0.086 0.000 2.133 138 D HA -0.233 4.401 4.640 -0.010 0.000 0.195 138 D C 2.332 178.741 176.300 0.180 0.000 0.997 138 D CA 1.402 55.547 54.000 0.241 0.000 0.840 138 D CB 0.168 41.146 40.800 0.296 0.000 0.947 138 D HN 0.021 nan 8.370 nan 0.000 0.452 139 R N -0.756 119.797 120.500 0.089 0.000 2.090 139 R HA -0.117 4.217 4.340 -0.010 0.000 0.228 139 R C 2.185 178.480 176.300 -0.009 0.000 1.110 139 R CA 0.824 56.927 56.100 0.005 0.000 0.973 139 R CB -1.132 29.176 30.300 0.013 0.000 0.869 139 R HN 0.451 nan 8.270 nan 0.000 0.440 140 Y N 1.238 121.504 120.300 -0.057 0.000 2.200 140 Y HA -0.188 4.356 4.550 -0.009 0.000 0.290 140 Y C 2.150 178.018 175.900 -0.053 0.000 1.137 140 Y CA 1.166 59.226 58.100 -0.066 0.000 1.163 140 Y CB -0.360 38.063 38.460 -0.062 0.000 0.988 140 Y HN -0.086 nan 8.280 nan 0.000 0.518 141 L N 0.409 121.666 121.223 0.058 0.000 1.970 141 L HA -0.200 4.134 4.340 -0.010 0.000 0.212 141 L C 2.642 179.438 176.870 -0.122 0.000 1.071 141 L CA 2.242 57.110 54.840 0.047 0.000 0.751 141 L CB -1.220 41.023 42.059 0.307 0.000 0.889 141 L HN 0.295 nan 8.230 nan 0.000 0.432 142 A N -1.206 121.410 122.820 -0.341 0.000 2.024 142 A HA -0.219 4.095 4.320 -0.010 0.000 0.220 142 A C 2.330 179.660 177.584 -0.423 0.000 1.164 142 A CA 2.066 53.672 52.037 -0.718 0.000 0.643 142 A CB -0.808 17.562 19.000 -1.049 0.000 0.806 142 A HN 0.530 nan 8.150 nan 0.000 0.451 143 I N -0.795 119.574 120.570 -0.335 0.000 3.228 143 I HA -0.076 4.088 4.170 -0.010 0.000 0.279 143 I C 2.008 177.943 176.117 -0.303 0.000 1.221 143 I CA 1.591 62.719 61.300 -0.287 0.000 1.458 143 I CB 0.317 38.177 38.000 -0.234 0.000 1.105 143 I HN 0.486 nan 8.210 nan 0.000 0.445 144 T N -4.179 110.154 114.554 -0.369 0.000 3.044 144 T HA 0.162 4.506 4.350 -0.010 0.000 0.260 144 T C 0.734 175.299 174.700 -0.225 0.000 1.019 144 T CA -0.002 61.894 62.100 -0.340 0.000 0.921 144 T CB 0.337 68.890 68.868 -0.526 0.000 1.053 144 T HN 0.079 nan 8.240 nan 0.000 0.533 145 S N 1.606 117.184 115.700 -0.204 0.000 2.751 145 S HA 0.347 4.811 4.470 -0.010 0.000 0.148 145 S C -2.715 171.803 174.600 -0.137 0.000 1.057 145 S CA -0.681 57.443 58.200 -0.127 0.000 1.103 145 S CB 0.594 63.766 63.200 -0.048 0.000 1.709 145 S HN 0.060 nan 8.310 nan 0.000 0.484 146 P HA 0.129 nan 4.420 nan 0.000 0.230 146 P C 0.417 177.458 177.300 -0.431 0.000 1.158 146 P CA 0.697 63.497 63.100 -0.500 0.000 0.769 146 P CB -0.073 31.117 31.700 -0.851 0.000 0.807 147 F N -1.976 118.020 119.950 0.077 0.000 2.711 147 F HA 0.331 4.852 4.527 -0.009 0.000 0.296 147 F C 2.303 178.144 175.800 0.068 0.000 1.096 147 F CA -0.448 57.595 58.000 0.072 0.000 1.280 147 F CB -0.699 38.323 39.000 0.037 0.000 1.060 147 F HN -0.293 nan 8.300 nan 0.000 0.608 148 R N 0.147 120.767 120.500 0.199 0.000 2.080 148 R HA -0.246 4.089 4.340 -0.010 0.000 0.236 148 R C 2.207 178.584 176.300 0.128 0.000 1.137 148 R CA 1.927 58.105 56.100 0.130 0.000 0.943 148 R CB -1.138 29.217 30.300 0.092 0.000 0.846 148 R HN 0.296 nan 8.270 nan 0.000 0.431 149 Y N 0.920 121.234 120.300 0.023 0.000 2.114 149 Y HA -0.324 4.220 4.550 -0.010 0.000 0.282 149 Y C 2.214 178.146 175.900 0.053 0.000 1.165 149 Y CA 2.107 60.220 58.100 0.022 0.000 1.148 149 Y CB -0.142 38.304 38.460 -0.024 0.000 0.972 149 Y HN 0.196 nan 8.280 nan 0.000 0.504 150 Q N -0.149 119.813 119.800 0.270 0.000 2.061 150 Q HA -0.200 4.134 4.340 -0.010 0.000 0.204 150 Q C 2.658 178.705 176.000 0.078 0.000 0.984 150 Q CA 2.028 57.961 55.803 0.217 0.000 0.846 150 Q CB -0.729 28.212 28.738 0.338 0.000 0.902 150 Q HN 0.646 nan 8.270 nan 0.000 0.421 151 S N 0.133 115.879 115.700 0.077 0.000 2.345 151 S HA -0.064 4.400 4.470 -0.010 0.000 0.220 151 S C 2.136 176.724 174.600 -0.019 0.000 1.031 151 S CA 0.820 59.038 58.200 0.030 0.000 0.996 151 S CB -0.531 62.694 63.200 0.042 0.000 0.882 151 S HN 0.302 nan 8.310 nan 0.000 0.445 152 L N 0.166 121.362 121.223 -0.046 0.000 2.044 152 L HA 0.150 4.484 4.340 -0.010 0.000 0.205 152 L C 1.270 178.059 176.870 -0.136 0.000 1.075 152 L CA 0.685 55.481 54.840 -0.075 0.000 0.747 152 L CB -0.503 41.520 42.059 -0.059 0.000 0.903 152 L HN 0.361 nan 8.230 nan 0.000 0.435 153 M N 1.798 121.228 119.600 -0.284 0.000 2.266 153 M HA 0.122 4.596 4.480 -0.010 0.000 0.340 153 M C 0.205 176.391 176.300 -0.189 0.000 1.486 153 M CA 0.460 55.561 55.300 -0.331 0.000 1.209 153 M CB 0.140 32.277 32.600 -0.772 0.000 1.714 153 M HN 0.203 nan 8.290 nan 0.000 0.459 154 T N 0.743 115.232 114.554 -0.107 0.000 2.907 154 T HA 0.569 4.913 4.350 -0.010 0.000 0.290 154 T C 1.132 175.794 174.700 -0.063 0.000 1.066 154 T CA -0.949 61.110 62.100 -0.068 0.000 1.012 154 T CB 2.050 70.891 68.868 -0.044 0.000 1.184 154 T HN 0.670 nan 8.240 nan 0.000 0.522 155 R N 0.320 120.788 120.500 -0.054 0.000 2.091 155 R HA -0.041 4.294 4.340 -0.010 0.000 0.238 155 R C 2.691 178.965 176.300 -0.043 0.000 1.136 155 R CA 1.442 57.506 56.100 -0.060 0.000 0.959 155 R CB -1.003 29.268 30.300 -0.049 0.000 0.856 155 R HN 0.795 nan 8.270 nan 0.000 0.437 156 A N 1.529 124.333 122.820 -0.027 0.000 1.908 156 A HA -0.182 4.132 4.320 -0.010 0.000 0.218 156 A C 2.155 179.740 177.584 0.001 0.000 1.181 156 A CA 1.295 53.325 52.037 -0.011 0.000 0.627 156 A CB -0.369 18.626 19.000 -0.008 0.000 0.818 156 A HN 0.231 nan 8.150 nan 0.000 0.445 157 R N -0.747 119.752 120.500 -0.001 0.000 2.073 157 R HA -0.007 4.328 4.340 -0.010 0.000 0.229 157 R C 2.544 178.879 176.300 0.058 0.000 1.120 157 R CA 1.045 57.157 56.100 0.021 0.000 0.967 157 R CB -0.528 29.776 30.300 0.007 0.000 0.862 157 R HN 0.503 nan 8.270 nan 0.000 0.436 158 A N 1.938 124.777 122.820 0.031 0.000 1.917 158 A HA -0.245 4.069 4.320 -0.010 0.000 0.219 158 A C 1.980 179.611 177.584 0.078 0.000 1.182 158 A CA 1.644 53.702 52.037 0.036 0.000 0.633 158 A CB -0.382 18.486 19.000 -0.219 0.000 0.819 158 A HN 0.229 nan 8.150 nan 0.000 0.448 159 K N -0.716 119.701 120.400 0.030 0.000 2.103 159 K HA -0.080 4.234 4.320 -0.010 0.000 0.207 159 K C 1.847 178.500 176.600 0.089 0.000 1.048 159 K CA 1.438 57.755 56.287 0.051 0.000 0.930 159 K CB -0.306 32.206 32.500 0.019 0.000 0.716 159 K HN 0.351 nan 8.250 nan 0.000 0.444 160 V N 1.539 121.502 119.914 0.081 0.000 2.453 160 V HA -0.201 3.913 4.120 -0.010 0.000 0.247 160 V C 2.089 178.252 176.094 0.115 0.000 1.048 160 V CA 1.378 63.728 62.300 0.083 0.000 1.049 160 V CB -0.333 31.525 31.823 0.058 0.000 0.672 160 V HN 0.261 nan 8.190 nan 0.000 0.457 161 I N -0.236 120.425 120.570 0.152 0.000 2.142 161 I HA -0.268 3.896 4.170 -0.010 0.000 0.240 161 I C 2.319 178.557 176.117 0.203 0.000 1.078 161 I CA 1.898 63.302 61.300 0.174 0.000 1.343 161 I CB -0.366 37.786 38.000 0.254 0.000 1.046 161 I HN 0.214 nan 8.210 nan 0.000 0.405 162 I N 0.162 120.906 120.570 0.288 0.000 2.163 162 I HA -0.354 3.810 4.170 -0.010 0.000 0.243 162 I C 2.660 178.990 176.117 0.356 0.000 1.085 162 I CA 1.403 62.910 61.300 0.344 0.000 1.347 162 I CB -0.371 37.836 38.000 0.345 0.000 1.044 162 I HN 0.377 nan 8.210 nan 0.000 0.408 163 C N 0.022 119.467 119.300 0.242 0.000 2.440 163 C HA -0.136 4.318 4.460 -0.010 0.000 0.278 163 C C 2.985 178.095 174.990 0.200 0.000 1.295 163 C CA 1.437 60.582 59.018 0.212 0.000 1.738 163 C CB -1.122 26.689 27.740 0.119 0.000 1.987 163 C HN 0.524 nan 8.230 nan 0.000 0.492 164 T N 0.695 115.337 114.554 0.146 0.000 2.737 164 T HA -0.136 4.208 4.350 -0.010 0.000 0.265 164 T C 1.894 176.646 174.700 0.086 0.000 1.038 164 T CA 1.526 63.687 62.100 0.101 0.000 1.144 164 T CB -0.363 68.545 68.868 0.067 0.000 0.866 164 T HN 0.333 nan 8.240 nan 0.000 0.434 165 V N -0.000 119.955 119.914 0.068 0.000 2.282 165 V HA -0.230 3.884 4.120 -0.010 0.000 0.249 165 V C 2.110 178.166 176.094 -0.063 0.000 1.057 165 V CA 1.701 63.977 62.300 -0.040 0.000 1.032 165 V CB -0.697 31.062 31.823 -0.106 0.000 0.645 165 V HN 0.606 nan 8.190 nan 0.000 0.447 166 W N -0.357 120.965 121.300 0.036 0.000 2.402 166 W HA 0.002 4.656 4.660 -0.009 0.000 0.286 166 W C 2.558 179.107 176.519 0.051 0.000 1.221 166 W CA 1.340 58.712 57.345 0.046 0.000 1.257 166 W CB -0.605 28.887 29.460 0.053 0.000 1.120 166 W HN 0.195 nan 8.180 nan 0.000 0.551 167 A N 0.482 123.446 122.820 0.240 0.000 1.858 167 A HA -0.197 4.118 4.320 -0.010 0.000 0.216 167 A C 1.870 179.520 177.584 0.110 0.000 1.190 167 A CA 1.879 54.009 52.037 0.155 0.000 0.617 167 A CB -1.016 18.052 19.000 0.113 0.000 0.827 167 A HN 0.258 nan 8.150 nan 0.000 0.443 168 I N -0.115 120.495 120.570 0.067 0.000 2.208 168 I HA -0.247 3.917 4.170 -0.010 0.000 0.245 168 I C 2.664 178.795 176.117 0.023 0.000 1.097 168 I CA 1.555 62.875 61.300 0.032 0.000 1.363 168 I CB -0.384 37.612 38.000 -0.007 0.000 1.051 168 I HN 0.231 nan 8.210 nan 0.000 0.413 169 S N 0.732 116.426 115.700 -0.009 0.000 2.368 169 S HA -0.134 4.330 4.470 -0.010 0.000 0.225 169 S C 2.273 176.913 174.600 0.067 0.000 1.030 169 S CA 1.273 59.448 58.200 -0.041 0.000 0.999 169 S CB -0.343 62.745 63.200 -0.187 0.000 0.844 169 S HN 0.547 nan 8.310 nan 0.000 0.459 170 A N 1.422 124.352 122.820 0.183 0.000 1.902 170 A HA -0.049 4.265 4.320 -0.010 0.000 0.217 170 A C 2.119 179.878 177.584 0.292 0.000 1.181 170 A CA 1.360 53.604 52.037 0.345 0.000 0.623 170 A CB -0.748 18.442 19.000 0.317 0.000 0.818 170 A HN 0.412 nan 8.150 nan 0.000 0.443 171 L N -0.280 121.047 121.223 0.173 0.000 2.012 171 L HA -0.102 4.232 4.340 -0.010 0.000 0.210 171 L C 2.327 179.277 176.870 0.133 0.000 1.073 171 L CA 1.932 56.855 54.840 0.138 0.000 0.748 171 L CB -0.452 41.666 42.059 0.099 0.000 0.891 171 L HN 0.139 nan 8.230 nan 0.000 0.431 172 V N -0.727 119.246 119.914 0.099 0.000 2.871 172 V HA -0.138 3.976 4.120 -0.010 0.000 0.256 172 V C 2.450 178.593 176.094 0.082 0.000 1.082 172 V CA 1.356 63.706 62.300 0.083 0.000 1.105 172 V CB -0.254 31.587 31.823 0.029 0.000 0.713 172 V HN 0.761 nan 8.190 nan 0.000 0.473 173 S N -1.056 114.674 115.700 0.049 0.000 2.438 173 S HA 0.035 4.499 4.470 -0.010 0.000 0.220 173 S C 1.883 176.428 174.600 -0.092 0.000 1.045 173 S CA 0.489 58.652 58.200 -0.061 0.000 0.940 173 S CB -0.615 62.455 63.200 -0.217 0.000 0.863 173 S HN 0.339 nan 8.310 nan 0.000 0.539 174 F N 2.024 121.985 119.950 0.018 0.000 2.060 174 F HA 0.120 4.641 4.527 -0.009 0.000 0.295 174 F C 2.534 178.324 175.800 -0.018 0.000 1.120 174 F CA 1.009 59.008 58.000 -0.002 0.000 1.205 174 F CB -0.550 38.452 39.000 0.002 0.000 0.986 174 F HN 0.151 nan 8.300 nan 0.000 0.470 175 L N 0.567 121.890 121.223 0.167 0.000 1.989 175 L HA -0.164 4.170 4.340 -0.010 0.000 0.211 175 L C -0.364 176.366 176.870 -0.234 0.000 1.071 175 L CA 2.501 57.317 54.840 -0.040 0.000 0.749 175 L CB -2.273 39.748 42.059 -0.065 0.000 0.890 175 L HN 0.055 nan 8.230 nan 0.000 0.431 176 P HA -0.138 nan 4.420 nan 0.000 0.218 176 P C 1.963 179.319 177.300 0.093 0.000 1.148 176 P CA 1.391 64.448 63.100 -0.072 0.000 0.822 176 P CB 0.083 32.113 31.700 0.550 0.000 0.784 177 I N -1.960 118.707 120.570 0.161 0.000 2.500 177 I HA -0.122 4.042 4.170 -0.010 0.000 0.252 177 I C 2.054 178.378 176.117 0.346 0.000 1.142 177 I CA 1.067 62.519 61.300 0.254 0.000 1.451 177 I CB -0.330 37.645 38.000 -0.042 0.000 1.093 177 I HN -0.102 nan 8.210 nan 0.000 0.430 178 M N -0.604 119.095 119.600 0.165 0.000 2.447 178 M HA 0.022 4.497 4.480 -0.010 0.000 0.264 178 M C 1.927 178.230 176.300 0.004 0.000 1.095 178 M CA 1.087 56.477 55.300 0.150 0.000 1.125 178 M CB -0.496 32.175 32.600 0.117 0.000 1.389 178 M HN 0.198 nan 8.290 nan 0.000 0.459 179 M N -1.181 118.311 119.600 -0.179 0.000 2.619 179 M HA 0.003 4.477 4.480 -0.010 0.000 0.251 179 M C 0.135 176.343 176.300 -0.154 0.000 1.106 179 M CA 0.701 55.782 55.300 -0.364 0.000 1.086 179 M CB -1.202 30.772 32.600 -1.043 0.000 1.465 179 M HN 0.462 nan 8.290 nan 0.000 0.506 180 H N -3.095 115.855 119.070 -0.200 0.000 2.936 180 H HA -0.209 4.341 4.556 -0.010 0.000 0.276 180 H C 0.278 175.444 175.328 -0.270 0.000 1.216 180 H CA 0.132 55.936 56.048 -0.408 0.000 1.132 180 H CB -1.349 28.177 29.762 -0.394 0.000 1.303 180 H HN 0.459 nan 8.280 nan 0.000 0.370 181 W N 0.744 122.019 121.300 -0.041 0.000 2.468 181 W HA -0.136 4.521 4.660 -0.006 0.000 0.262 181 W C 2.101 178.590 176.519 -0.049 0.000 1.241 181 W CA 1.089 58.439 57.345 0.008 0.000 1.232 181 W CB -0.874 28.692 29.460 0.177 0.000 1.124 181 W HN 0.629 nan 8.180 nan 0.000 0.597 182 W N 0.690 121.918 121.300 -0.120 0.000 2.905 182 W HA 0.209 4.863 4.660 -0.011 0.000 0.251 182 W C 0.445 176.793 176.519 -0.284 0.000 1.305 182 W CA -0.281 56.767 57.345 -0.494 0.000 1.465 182 W CB -1.008 27.816 29.460 -1.060 0.000 1.122 182 W HN -0.286 nan 8.180 nan 0.000 0.659 183 R N 1.976 122.026 120.500 -0.749 0.000 2.594 183 R HA 0.113 4.447 4.340 -0.010 0.000 0.272 183 R C -0.590 175.598 176.300 -0.187 0.000 1.074 183 R CA -0.044 55.644 56.100 -0.686 0.000 1.105 183 R CB 0.621 30.232 30.300 -1.149 0.000 1.008 183 R HN -0.176 nan 8.270 nan 0.000 0.472 184 D N 0.405 120.819 120.400 0.023 0.000 2.340 184 D HA 0.123 4.757 4.640 -0.010 0.000 0.243 184 D C -0.007 176.338 176.300 0.076 0.000 0.988 184 D CA -0.460 53.566 54.000 0.043 0.000 0.959 184 D CB 1.483 42.308 40.800 0.041 0.000 1.226 184 D HN 0.440 nan 8.370 nan 0.000 0.509 185 E N -0.161 120.054 120.200 0.025 0.000 2.481 185 E HA 0.061 4.405 4.350 -0.010 0.000 0.198 185 E C -0.419 176.183 176.600 0.005 0.000 1.027 185 E CA -0.292 56.121 56.400 0.022 0.000 0.900 185 E CB 0.400 30.102 29.700 0.004 0.000 0.993 185 E HN 0.352 nan 8.360 nan 0.000 0.482 186 D N 1.395 121.789 120.400 -0.010 0.000 2.571 186 D HA -0.065 4.569 4.640 -0.010 0.000 0.231 186 D C -1.610 174.662 176.300 -0.046 0.000 1.133 186 D CA -1.179 52.802 54.000 -0.032 0.000 0.862 186 D CB 0.969 41.742 40.800 -0.046 0.000 1.179 186 D HN -0.158 nan 8.370 nan 0.000 0.474 187 P HA -0.147 nan 4.420 nan 0.000 0.215 187 P C 0.932 178.187 177.300 -0.075 0.000 1.153 187 P CA 1.416 64.489 63.100 -0.046 0.000 0.853 187 P CB 0.154 31.835 31.700 -0.032 0.000 0.788 188 Q N -0.968 118.781 119.800 -0.084 0.000 2.226 188 Q HA -0.079 4.255 4.340 -0.010 0.000 0.204 188 Q C 2.128 178.017 176.000 -0.185 0.000 0.975 188 Q CA 1.534 57.273 55.803 -0.106 0.000 0.866 188 Q CB -0.600 28.086 28.738 -0.087 0.000 0.915 188 Q HN 0.199 nan 8.270 nan 0.000 0.440 189 A N 0.404 123.084 122.820 -0.233 0.000 1.898 189 A HA -0.064 4.251 4.320 -0.010 0.000 0.214 189 A C 1.974 179.096 177.584 -0.771 0.000 1.183 189 A CA 0.679 52.428 52.037 -0.480 0.000 0.622 189 A CB -0.433 18.383 19.000 -0.307 0.000 0.824 189 A HN 0.275 nan 8.150 nan 0.000 0.444 190 L N -0.440 120.587 121.223 -0.326 0.000 2.083 190 L HA -0.185 4.150 4.340 -0.010 0.000 0.209 190 L C 2.610 179.404 176.870 -0.126 0.000 1.083 190 L CA 1.715 56.475 54.840 -0.133 0.000 0.752 190 L CB -0.454 41.605 42.059 0.000 0.000 0.899 190 L HN 0.405 nan 8.230 nan 0.000 0.433 191 K N -0.238 120.082 120.400 -0.134 0.000 2.147 191 K HA -0.236 4.079 4.320 -0.010 0.000 0.205 191 K C 2.325 178.874 176.600 -0.083 0.000 1.049 191 K CA 1.698 57.939 56.287 -0.077 0.000 0.936 191 K CB -0.218 32.246 32.500 -0.059 0.000 0.722 191 K HN 0.414 nan 8.250 nan 0.000 0.446 192 c N 0.686 119.170 118.600 -0.193 0.000 2.450 192 c HA -0.070 4.495 4.570 -0.010 0.000 0.279 192 c C 2.383 176.458 174.090 -0.026 0.000 1.335 192 c CA 0.296 56.540 56.329 -0.142 0.000 1.749 192 c CB -0.992 41.392 42.510 -0.210 0.000 1.963 192 c HN 0.491 nan 8.230 nan 0.000 0.501 193 Y N 0.729 121.057 120.300 0.048 0.000 2.314 193 Y HA 0.008 4.549 4.550 -0.015 0.000 0.293 193 Y C 2.697 178.630 175.900 0.055 0.000 1.129 193 Y CA 0.804 58.931 58.100 0.046 0.000 1.201 193 Y CB -1.089 37.362 38.460 -0.015 0.000 0.999 193 Y HN 0.345 nan 8.280 nan 0.000 0.541 194 Q N 0.062 119.954 119.800 0.154 0.000 2.291 194 Q HA -0.095 4.239 4.340 -0.010 0.000 0.205 194 Q C -0.063 175.996 176.000 0.100 0.000 0.970 194 Q CA 0.877 56.746 55.803 0.109 0.000 0.876 194 Q CB -0.251 28.527 28.738 0.066 0.000 0.935 194 Q HN 0.373 nan 8.270 nan 0.000 0.455 195 D N 0.554 121.013 120.400 0.099 0.000 2.412 195 D HA 0.142 4.776 4.640 -0.010 0.000 0.224 195 D C -1.930 174.452 176.300 0.136 0.000 1.093 195 D CA -2.353 51.705 54.000 0.097 0.000 0.850 195 D CB 1.441 42.284 40.800 0.073 0.000 1.046 195 D HN -0.159 nan 8.370 nan 0.000 0.507 196 P HA 0.025 nan 4.420 nan 0.000 0.228 196 P C 1.199 178.642 177.300 0.239 0.000 1.151 196 P CA 0.543 63.758 63.100 0.191 0.000 0.770 196 P CB 0.340 32.139 31.700 0.167 0.000 0.786 197 G N -1.475 107.436 108.800 0.186 0.000 2.623 197 G HA2 -0.100 3.854 3.960 -0.010 0.000 0.214 197 G HA3 -0.100 3.854 3.960 -0.010 0.000 0.214 197 G C 0.095 175.139 174.900 0.240 0.000 1.138 197 G CA 0.032 45.253 45.100 0.202 0.000 0.794 197 G HN 0.394 nan 8.290 nan 0.000 0.535 198 c N 0.668 119.382 118.600 0.190 0.000 2.246 198 c HA 0.607 5.171 4.570 -0.010 0.000 0.329 198 c C 0.743 174.914 174.090 0.136 0.000 1.221 198 c CA -1.081 55.345 56.329 0.161 0.000 1.697 198 c CB -0.614 41.959 42.510 0.106 0.000 2.312 198 c HN 0.245 nan 8.230 nan 0.000 0.509 199 c N 6.913 125.590 118.600 0.128 0.000 2.808 199 c HA 0.388 4.952 4.570 -0.010 0.000 0.261 199 c C -0.152 174.031 174.090 0.155 0.000 1.574 199 c CA -0.542 55.782 56.329 -0.008 0.000 1.611 199 c CB -1.925 40.307 42.510 -0.464 0.000 2.726 199 c HN 0.914 nan 8.230 nan 0.000 0.528 200 D N 0.667 121.172 120.400 0.176 0.000 2.264 200 D HA 0.185 4.819 4.640 -0.010 0.000 0.249 200 D C -0.201 176.245 176.300 0.243 0.000 1.070 200 D CA -0.179 53.944 54.000 0.205 0.000 0.912 200 D CB 0.617 41.494 40.800 0.129 0.000 1.193 200 D HN 0.320 nan 8.370 nan 0.000 0.427 201 F N 2.284 122.259 119.950 0.041 0.000 2.606 201 F HA 0.159 4.685 4.527 -0.001 0.000 0.347 201 F C -0.372 175.465 175.800 0.062 0.000 1.207 201 F CA -0.877 57.110 58.000 -0.021 0.000 1.306 201 F CB -0.263 38.739 39.000 0.002 0.000 1.657 201 F HN -0.066 nan 8.300 nan 0.000 0.606 202 V N 3.490 123.451 119.914 0.079 0.000 2.356 202 V HA 0.198 4.312 4.120 -0.010 0.000 0.258 202 V C 0.560 176.700 176.094 0.076 0.000 1.065 202 V CA -0.160 62.142 62.300 0.004 0.000 0.935 202 V CB 0.153 31.953 31.823 -0.038 0.000 1.061 202 V HN 0.636 nan 8.190 nan 0.000 0.484 203 T N 1.679 116.180 114.554 -0.089 0.000 2.952 203 T HA 0.528 4.872 4.350 -0.010 0.000 0.286 203 T C -0.059 174.651 174.700 0.017 0.000 1.024 203 T CA -0.972 61.103 62.100 -0.042 0.000 1.029 203 T CB 1.568 70.310 68.868 -0.210 0.000 1.094 203 T HN 0.655 nan 8.240 nan 0.000 0.515 204 N N 0.594 119.326 118.700 0.053 0.000 2.399 204 N HA 0.229 4.964 4.740 -0.010 0.000 0.250 204 N C 0.965 176.506 175.510 0.051 0.000 1.272 204 N CA -0.819 52.254 53.050 0.037 0.000 0.928 204 N CB 0.615 39.122 38.487 0.034 0.000 1.158 204 N HN 0.653 nan 8.380 nan 0.000 0.463 205 R N 0.207 120.706 120.500 -0.003 0.000 2.092 205 R HA -0.077 4.257 4.340 -0.010 0.000 0.231 205 R C 1.993 178.288 176.300 -0.009 0.000 1.119 205 R CA 1.454 57.529 56.100 -0.041 0.000 0.970 205 R CB -0.688 29.542 30.300 -0.117 0.000 0.864 205 R HN 0.755 nan 8.270 nan 0.000 0.440 206 A N 0.747 123.577 122.820 0.016 0.000 1.883 206 A HA -0.249 4.065 4.320 -0.010 0.000 0.217 206 A C 2.032 179.663 177.584 0.078 0.000 1.186 206 A CA 1.433 53.485 52.037 0.025 0.000 0.624 206 A CB -0.825 18.185 19.000 0.016 0.000 0.822 206 A HN 0.467 nan 8.150 nan 0.000 0.444 207 Y N 0.549 120.877 120.300 0.047 0.000 2.145 207 Y HA -0.084 4.457 4.550 -0.015 0.000 0.286 207 Y C 2.672 178.638 175.900 0.110 0.000 1.145 207 Y CA 1.370 59.537 58.100 0.111 0.000 1.148 207 Y CB -0.550 38.014 38.460 0.174 0.000 0.981 207 Y HN 0.324 nan 8.280 nan 0.000 0.507 208 A N 0.548 123.485 122.820 0.194 0.000 1.892 208 A HA -0.229 4.085 4.320 -0.010 0.000 0.218 208 A C 2.253 179.871 177.584 0.057 0.000 1.188 208 A CA 2.365 54.483 52.037 0.134 0.000 0.631 208 A CB -1.229 17.837 19.000 0.110 0.000 0.822 208 A HN 0.586 nan 8.150 nan 0.000 0.447 209 I N -0.456 120.127 120.570 0.020 0.000 2.202 209 I HA -0.226 3.939 4.170 -0.010 0.000 0.242 209 I C 2.970 179.090 176.117 0.005 0.000 1.091 209 I CA 1.045 62.358 61.300 0.023 0.000 1.368 209 I CB -0.383 37.612 38.000 -0.009 0.000 1.058 209 I HN 0.346 nan 8.210 nan 0.000 0.410 210 A N 0.856 123.646 122.820 -0.050 0.000 1.858 210 A HA -0.227 4.087 4.320 -0.010 0.000 0.216 210 A C 2.525 180.036 177.584 -0.121 0.000 1.190 210 A CA 2.313 54.305 52.037 -0.075 0.000 0.617 210 A CB -1.026 17.929 19.000 -0.075 0.000 0.827 210 A HN 0.507 nan 8.150 nan 0.000 0.443 211 S N -0.497 115.030 115.700 -0.288 0.000 2.399 211 S HA -0.117 4.347 4.470 -0.010 0.000 0.231 211 S C 2.027 176.594 174.600 -0.055 0.000 1.022 211 S CA 1.624 59.666 58.200 -0.264 0.000 0.983 211 S CB -0.630 62.237 63.200 -0.555 0.000 0.803 211 S HN 0.419 nan 8.310 nan 0.000 0.480 212 S N 2.088 117.820 115.700 0.052 0.000 2.348 212 S HA 0.091 4.555 4.470 -0.010 0.000 0.221 212 S C 1.805 176.479 174.600 0.122 0.000 1.033 212 S CA 1.475 59.753 58.200 0.129 0.000 1.010 212 S CB -0.532 62.892 63.200 0.374 0.000 0.891 212 S HN 0.537 nan 8.310 nan 0.000 0.442 213 I N 0.864 121.538 120.570 0.173 0.000 2.226 213 I HA -0.173 3.991 4.170 -0.010 0.000 0.245 213 I C 1.988 178.121 176.117 0.027 0.000 1.100 213 I CA 1.249 62.639 61.300 0.150 0.000 1.374 213 I CB -0.317 37.719 38.000 0.059 0.000 1.057 213 I HN 0.237 nan 8.210 nan 0.000 0.413 214 I N -0.280 120.279 120.570 -0.019 0.000 2.333 214 I HA -0.196 3.968 4.170 -0.010 0.000 0.246 214 I C 2.503 178.569 176.117 -0.084 0.000 1.106 214 I CA 1.100 62.371 61.300 -0.048 0.000 1.411 214 I CB -0.151 37.828 38.000 -0.037 0.000 1.082 214 I HN 0.059 nan 8.210 nan 0.000 0.420 215 S N -0.264 115.374 115.700 -0.103 0.000 2.414 215 S HA -0.040 4.424 4.470 -0.010 0.000 0.227 215 S C 1.463 175.946 174.600 -0.195 0.000 1.022 215 S CA 1.242 59.359 58.200 -0.140 0.000 0.958 215 S CB 0.003 63.131 63.200 -0.120 0.000 0.797 215 S HN 0.444 nan 8.310 nan 0.000 0.493 216 F N -0.676 118.980 119.950 -0.490 0.000 2.268 216 F HA 0.300 4.821 4.527 -0.011 0.000 0.262 216 F C 1.448 176.965 175.800 -0.471 0.000 0.910 216 F CA -0.218 57.364 58.000 -0.697 0.000 1.142 216 F CB -0.309 37.728 39.000 -1.604 0.000 1.229 216 F HN -0.024 nan 8.300 nan 0.000 0.781 217 Y N 1.270 121.395 120.300 -0.291 0.000 2.181 217 Y HA -0.172 4.373 4.550 -0.009 0.000 0.288 217 Y C 2.353 178.084 175.900 -0.281 0.000 1.146 217 Y CA 2.164 60.093 58.100 -0.286 0.000 1.164 217 Y CB -0.707 37.706 38.460 -0.078 0.000 0.982 217 Y HN 0.103 nan 8.280 nan 0.000 0.515 218 I N -0.084 120.442 120.570 -0.073 0.000 2.133 218 I HA -0.203 3.961 4.170 -0.010 0.000 0.238 218 I C -0.577 175.443 176.117 -0.162 0.000 1.074 218 I CA 1.001 62.240 61.300 -0.101 0.000 1.342 218 I CB -1.536 36.415 38.000 -0.080 0.000 1.053 218 I HN 0.108 nan 8.210 nan 0.000 0.404 219 P HA -0.174 nan 4.420 nan 0.000 0.219 219 P C 1.765 178.907 177.300 -0.262 0.000 1.146 219 P CA 1.161 64.126 63.100 -0.224 0.000 0.808 219 P CB 0.020 31.571 31.700 -0.249 0.000 0.779 220 L N -0.985 120.013 121.223 -0.375 0.000 2.027 220 L HA -0.123 4.211 4.340 -0.010 0.000 0.206 220 L C 2.262 179.020 176.870 -0.186 0.000 1.074 220 L CA 1.713 56.328 54.840 -0.375 0.000 0.745 220 L CB -1.205 40.463 42.059 -0.652 0.000 0.898 220 L HN -0.153 nan 8.230 nan 0.000 0.433 221 L N -0.812 120.329 121.223 -0.137 0.000 2.012 221 L HA -0.277 4.058 4.340 -0.010 0.000 0.210 221 L C 2.513 179.363 176.870 -0.032 0.000 1.073 221 L CA 1.748 56.546 54.840 -0.070 0.000 0.748 221 L CB -0.582 41.431 42.059 -0.077 0.000 0.891 221 L HN 0.310 nan 8.230 nan 0.000 0.431 222 I N -0.839 119.695 120.570 -0.061 0.000 2.142 222 I HA -0.374 3.790 4.170 -0.010 0.000 0.240 222 I C 2.697 178.819 176.117 0.008 0.000 1.078 222 I CA 1.545 62.840 61.300 -0.008 0.000 1.343 222 I CB -0.282 37.682 38.000 -0.060 0.000 1.046 222 I HN 0.314 nan 8.210 nan 0.000 0.405 223 M N 0.704 120.262 119.600 -0.070 0.000 2.080 223 M HA -0.250 4.224 4.480 -0.010 0.000 0.260 223 M C 2.404 178.674 176.300 -0.049 0.000 1.068 223 M CA 2.103 57.352 55.300 -0.084 0.000 1.109 223 M CB -0.127 32.395 32.600 -0.130 0.000 1.342 223 M HN 0.163 nan 8.290 nan 0.000 0.405 224 I N -0.410 120.144 120.570 -0.027 0.000 2.142 224 I HA -0.314 3.850 4.170 -0.010 0.000 0.240 224 I C 2.301 178.431 176.117 0.023 0.000 1.078 224 I CA 1.369 62.665 61.300 -0.007 0.000 1.343 224 I CB -0.533 37.467 38.000 0.001 0.000 1.046 224 I HN 0.296 nan 8.210 nan 0.000 0.405 225 F N 1.314 121.210 119.950 -0.091 0.000 2.091 225 F HA -0.236 4.285 4.527 -0.009 0.000 0.299 225 F C 2.278 178.006 175.800 -0.120 0.000 1.103 225 F CA 1.770 59.712 58.000 -0.095 0.000 1.228 225 F CB -0.441 38.498 39.000 -0.102 0.000 0.984 225 F HN -0.211 nan 8.300 nan 0.000 0.477 226 V N 0.402 120.170 119.914 -0.243 0.000 2.548 226 V HA -0.188 3.926 4.120 -0.010 0.000 0.249 226 V C 2.722 178.669 176.094 -0.244 0.000 1.055 226 V CA 1.429 63.496 62.300 -0.388 0.000 1.065 226 V CB -1.431 30.253 31.823 -0.232 0.000 0.681 226 V HN 0.497 nan 8.190 nan 0.000 0.462 227 A N -0.140 122.600 122.820 -0.134 0.000 1.933 227 A HA -0.144 4.170 4.320 -0.010 0.000 0.218 227 A C 2.223 179.777 177.584 -0.050 0.000 1.175 227 A CA 1.611 53.607 52.037 -0.068 0.000 0.628 227 A CB -0.493 18.477 19.000 -0.051 0.000 0.814 227 A HN 0.486 nan 8.150 nan 0.000 0.444 228 L N -1.087 120.077 121.223 -0.099 0.000 2.083 228 L HA -0.175 4.159 4.340 -0.010 0.000 0.209 228 L C 2.901 179.762 176.870 -0.016 0.000 1.083 228 L CA 0.956 55.765 54.840 -0.053 0.000 0.752 228 L CB -0.423 41.587 42.059 -0.082 0.000 0.899 228 L HN 0.334 nan 8.230 nan 0.000 0.433 229 R N -0.349 120.058 120.500 -0.154 0.000 2.066 229 R HA -0.104 4.230 4.340 -0.010 0.000 0.232 229 R C 2.222 178.586 176.300 0.106 0.000 1.131 229 R CA 1.152 57.208 56.100 -0.074 0.000 0.955 229 R CB -0.958 29.163 30.300 -0.298 0.000 0.851 229 R HN 0.220 nan 8.270 nan 0.000 0.432 230 V N 0.850 120.838 119.914 0.124 0.000 2.282 230 V HA -0.310 3.804 4.120 -0.010 0.000 0.249 230 V C 2.185 178.305 176.094 0.042 0.000 1.057 230 V CA 2.043 64.409 62.300 0.109 0.000 1.032 230 V CB -0.797 31.069 31.823 0.072 0.000 0.645 230 V HN 0.254 nan 8.190 nan 0.000 0.447 231 Y N 1.166 121.432 120.300 -0.055 0.000 2.114 231 Y HA -0.285 4.259 4.550 -0.009 0.000 0.282 231 Y C 2.734 178.605 175.900 -0.049 0.000 1.165 231 Y CA 2.067 60.127 58.100 -0.067 0.000 1.148 231 Y CB -0.296 38.132 38.460 -0.054 0.000 0.972 231 Y HN 0.084 nan 8.280 nan 0.000 0.504 232 R N -0.132 120.352 120.500 -0.027 0.000 2.096 232 R HA -0.141 4.193 4.340 -0.010 0.000 0.235 232 R C 2.111 178.344 176.300 -0.112 0.000 1.127 232 R CA 1.429 57.474 56.100 -0.091 0.000 0.968 232 R CB -0.164 30.145 30.300 0.015 0.000 0.861 232 R HN 0.351 nan 8.270 nan 0.000 0.440 233 E N 0.348 120.504 120.200 -0.074 0.000 2.153 233 E HA -0.141 4.204 4.350 -0.010 0.000 0.194 233 E C 1.881 178.415 176.600 -0.111 0.000 0.988 233 E CA 1.282 57.628 56.400 -0.091 0.000 0.811 233 E CB -0.158 29.477 29.700 -0.108 0.000 0.746 233 E HN 0.352 nan 8.360 nan 0.000 0.466 234 A N 1.524 124.247 122.820 -0.162 0.000 1.929 234 A HA -0.131 4.183 4.320 -0.010 0.000 0.216 234 A C 2.076 179.613 177.584 -0.078 0.000 1.176 234 A CA 1.074 53.009 52.037 -0.171 0.000 0.628 234 A CB -0.198 18.540 19.000 -0.436 0.000 0.816 234 A HN 0.023 nan 8.150 nan 0.000 0.444 235 K N -0.290 119.968 120.400 -0.237 0.000 2.148 235 K HA -0.108 4.206 4.320 -0.010 0.000 0.204 235 K C 1.837 178.381 176.600 -0.093 0.000 1.050 235 K CA 1.075 57.243 56.287 -0.197 0.000 0.942 235 K CB -0.134 32.173 32.500 -0.321 0.000 0.724 235 K HN 0.560 nan 8.250 nan 0.000 0.446 236 E N 1.025 121.174 120.200 -0.084 0.000 2.077 236 E HA -0.187 4.157 4.350 -0.010 0.000 0.193 236 E C 1.935 178.512 176.600 -0.039 0.000 0.989 236 E CA 1.084 57.451 56.400 -0.055 0.000 0.800 236 E CB 0.059 29.726 29.700 -0.055 0.000 0.746 236 E HN 0.370 nan 8.360 nan 0.000 0.452 237 Q N 0.118 119.904 119.800 -0.023 0.000 2.364 237 Q HA -0.161 4.174 4.340 -0.010 0.000 0.209 237 Q C 2.125 178.102 176.000 -0.038 0.000 0.977 237 Q CA 0.992 56.785 55.803 -0.016 0.000 0.885 237 Q CB -0.255 28.505 28.738 0.036 0.000 0.941 237 Q HN 0.384 nan 8.270 nan 0.000 0.464 238 I N -3.098 117.454 120.570 -0.030 0.000 3.728 238 I HA 0.091 4.255 4.170 -0.010 0.000 0.307 238 I C 0.750 176.839 176.117 -0.047 0.000 1.276 238 I CA 0.040 61.306 61.300 -0.056 0.000 1.285 238 I CB 0.086 38.063 38.000 -0.039 0.000 1.038 238 I HN -0.166 nan 8.210 nan 0.000 0.445 239 R N 2.525 123.003 120.500 -0.038 0.000 2.590 239 R HA 0.089 4.424 4.340 -0.010 0.000 0.274 239 R C 0.341 176.621 176.300 -0.033 0.000 1.061 239 R CA 0.293 56.375 56.100 -0.031 0.000 1.081 239 R CB 0.294 30.578 30.300 -0.027 0.000 0.984 239 R HN 0.336 nan 8.270 nan 0.000 0.448 240 K N 1.065 121.448 120.400 -0.028 0.000 3.547 240 K HA -0.256 4.058 4.320 -0.010 0.000 0.309 240 K C 1.099 177.679 176.600 -0.034 0.000 1.324 240 K CA 1.265 57.535 56.287 -0.027 0.000 0.988 240 K CB -1.013 31.472 32.500 -0.026 0.000 1.261 240 K HN 0.640 nan 8.250 nan 0.000 0.444 241 I N 1.457 122.001 120.570 -0.044 0.000 2.716 241 I HA -0.133 4.031 4.170 -0.010 0.000 0.259 241 I C 0.770 176.862 176.117 -0.042 0.000 1.172 241 I CA 1.156 62.424 61.300 -0.054 0.000 1.478 241 I CB 0.077 38.026 38.000 -0.085 0.000 1.104 241 I HN 0.131 nan 8.210 nan 0.000 0.439 242 D N 1.343 121.723 120.400 -0.033 0.000 2.358 242 D HA -0.001 4.634 4.640 -0.010 0.000 0.241 242 D C 0.884 177.172 176.300 -0.020 0.000 1.094 242 D CA 0.342 54.327 54.000 -0.024 0.000 0.907 242 D CB -0.117 40.672 40.800 -0.018 0.000 0.893 242 D HN 0.275 nan 8.370 nan 0.000 0.528 273 S N 0.538 116.231 115.700 -0.011 0.000 2.528 273 S HA -0.050 4.414 4.470 -0.010 0.000 0.244 273 S C 1.316 175.909 174.600 -0.012 0.000 0.982 273 S CA 1.672 59.865 58.200 -0.010 0.000 0.953 273 S CB -0.280 62.914 63.200 -0.009 0.000 0.754 273 S HN 0.602 nan 8.310 nan 0.000 0.529 274 K N 0.667 121.058 120.400 -0.016 0.000 2.436 274 K HA 0.184 4.498 4.320 -0.010 0.000 0.198 274 K C 2.239 178.827 176.600 -0.021 0.000 1.174 274 K CA 0.294 56.569 56.287 -0.019 0.000 0.951 274 K CB -0.003 32.482 32.500 -0.024 0.000 1.040 274 K HN 0.467 nan 8.250 nan 0.000 0.536 275 R N 2.023 122.511 120.500 -0.020 0.000 2.153 275 R HA -0.178 4.157 4.340 -0.010 0.000 0.252 275 R C 1.997 178.286 176.300 -0.019 0.000 1.158 275 R CA 1.613 57.701 56.100 -0.021 0.000 0.975 275 R CB -0.266 30.024 30.300 -0.016 0.000 0.871 275 R HN -0.068 nan 8.270 nan 0.000 0.450 276 K N -0.118 120.273 120.400 -0.015 0.000 2.057 276 K HA -0.084 4.230 4.320 -0.010 0.000 0.206 276 K C 0.853 177.445 176.600 -0.013 0.000 1.050 276 K CA 2.105 58.385 56.287 -0.012 0.000 0.935 276 K CB 0.197 32.691 32.500 -0.009 0.000 0.715 276 K HN 0.457 nan 8.250 nan 0.000 0.439 277 T N -1.736 112.809 114.554 -0.015 0.000 3.313 277 T HA 0.061 4.405 4.350 -0.010 0.000 0.266 277 T C 1.818 176.506 174.700 -0.020 0.000 0.987 277 T CA 0.080 62.171 62.100 -0.015 0.000 1.086 277 T CB -0.050 68.811 68.868 -0.010 0.000 1.159 277 T HN 0.000 nan 8.240 nan 0.000 0.450 278 S N 1.468 117.155 115.700 -0.022 0.000 2.380 278 S HA -0.155 4.309 4.470 -0.010 0.000 0.229 278 S C 2.065 176.638 174.600 -0.045 0.000 1.043 278 S CA 1.441 59.623 58.200 -0.030 0.000 1.038 278 S CB -0.196 62.986 63.200 -0.029 0.000 0.872 278 S HN 0.332 nan 8.310 nan 0.000 0.456 279 R N 0.554 121.028 120.500 -0.044 0.000 2.093 279 R HA -0.006 4.328 4.340 -0.010 0.000 0.224 279 R C 2.078 178.345 176.300 -0.056 0.000 1.101 279 R CA 1.049 57.115 56.100 -0.057 0.000 0.979 279 R CB -0.252 30.020 30.300 -0.046 0.000 0.877 279 R HN 0.283 nan 8.270 nan 0.000 0.441 280 V N 1.385 121.277 119.914 -0.037 0.000 2.307 280 V HA -0.271 3.843 4.120 -0.010 0.000 0.245 280 V C 2.520 178.596 176.094 -0.029 0.000 1.045 280 V CA 1.536 63.820 62.300 -0.028 0.000 1.024 280 V CB -0.343 31.470 31.823 -0.017 0.000 0.651 280 V HN 0.334 nan 8.190 nan 0.000 0.449 281 M N -0.854 118.728 119.600 -0.029 0.000 2.117 281 M HA -0.121 4.353 4.480 -0.010 0.000 0.262 281 M C 2.245 178.524 176.300 -0.035 0.000 1.065 281 M CA 1.751 57.036 55.300 -0.024 0.000 1.114 281 M CB -1.162 31.426 32.600 -0.019 0.000 1.361 281 M HN 0.347 nan 8.290 nan 0.000 0.408 282 L N 0.172 121.352 121.223 -0.071 0.000 2.156 282 L HA -0.089 4.245 4.340 -0.010 0.000 0.208 282 L C 2.355 179.118 176.870 -0.179 0.000 1.095 282 L CA 1.238 55.998 54.840 -0.134 0.000 0.770 282 L CB -0.356 41.580 42.059 -0.204 0.000 0.914 282 L HN 0.160 nan 8.230 nan 0.000 0.439 283 M N -1.135 118.392 119.600 -0.122 0.000 2.132 283 M HA -0.172 4.303 4.480 -0.010 0.000 0.263 283 M C 2.407 178.716 176.300 0.015 0.000 1.065 283 M CA 1.398 56.657 55.300 -0.068 0.000 1.122 283 M CB -1.022 31.552 32.600 -0.043 0.000 1.365 283 M HN 0.257 nan 8.290 nan 0.000 0.411 284 R N 0.215 120.723 120.500 0.012 0.000 2.115 284 R HA -0.138 4.196 4.340 -0.010 0.000 0.230 284 R C 1.865 178.200 176.300 0.060 0.000 1.111 284 R CA 1.274 57.394 56.100 0.034 0.000 0.976 284 R CB 0.049 30.360 30.300 0.018 0.000 0.870 284 R HN 0.465 nan 8.270 nan 0.000 0.445 285 E N -1.271 118.971 120.200 0.071 0.000 2.107 285 E HA -0.140 4.204 4.350 -0.010 0.000 0.191 285 E C 1.741 178.446 176.600 0.176 0.000 0.982 285 E CA 0.778 57.241 56.400 0.105 0.000 0.809 285 E CB 0.045 29.805 29.700 0.101 0.000 0.756 285 E HN 0.559 nan 8.360 nan 0.000 0.459 286 H N -0.010 119.059 119.070 -0.001 0.000 2.462 286 H HA -0.007 4.543 4.556 -0.009 0.000 0.292 286 H C 2.115 177.460 175.328 0.029 0.000 1.049 286 H CA 0.612 56.665 56.048 0.009 0.000 1.334 286 H CB 0.317 30.079 29.762 -0.000 0.000 1.404 286 H HN -0.013 nan 8.280 nan 0.000 0.544 287 K N 1.117 121.606 120.400 0.149 0.000 2.026 287 K HA -0.123 4.191 4.320 -0.010 0.000 0.208 287 K C 2.385 179.040 176.600 0.090 0.000 1.048 287 K CA 1.045 57.394 56.287 0.103 0.000 0.929 287 K CB -0.043 32.508 32.500 0.085 0.000 0.713 287 K HN 0.162 nan 8.250 nan 0.000 0.439 288 A N 1.273 124.144 122.820 0.085 0.000 1.933 288 A HA -0.137 4.178 4.320 -0.010 0.000 0.218 288 A C 2.109 179.732 177.584 0.064 0.000 1.175 288 A CA 1.220 53.304 52.037 0.078 0.000 0.628 288 A CB -0.515 18.526 19.000 0.067 0.000 0.814 288 A HN 0.306 nan 8.150 nan 0.000 0.444 289 L N -1.096 120.150 121.223 0.038 0.000 2.109 289 L HA -0.141 4.193 4.340 -0.010 0.000 0.207 289 L C 2.625 179.513 176.870 0.029 0.000 1.086 289 L CA 1.637 56.482 54.840 0.009 0.000 0.760 289 L CB -0.377 41.640 42.059 -0.071 0.000 0.910 289 L HN 0.430 nan 8.230 nan 0.000 0.437 290 K N -0.343 120.082 120.400 0.043 0.000 2.097 290 K HA -0.169 4.145 4.320 -0.010 0.000 0.206 290 K C 1.977 178.617 176.600 0.067 0.000 1.049 290 K CA 1.814 58.137 56.287 0.059 0.000 0.933 290 K CB 0.009 32.552 32.500 0.071 0.000 0.717 290 K HN 0.237 nan 8.250 nan 0.000 0.442 291 T N 1.750 116.353 114.554 0.083 0.000 2.720 291 T HA -0.142 4.202 4.350 -0.010 0.000 0.268 291 T C 1.753 176.521 174.700 0.114 0.000 1.037 291 T CA 1.295 63.459 62.100 0.106 0.000 1.144 291 T CB -0.127 68.822 68.868 0.136 0.000 0.864 291 T HN 0.161 nan 8.240 nan 0.000 0.444 292 L N 0.592 121.875 121.223 0.100 0.000 2.093 292 L HA 0.038 4.372 4.340 -0.010 0.000 0.208 292 L C 3.059 179.967 176.870 0.063 0.000 1.085 292 L CA 1.226 56.120 54.840 0.091 0.000 0.755 292 L CB -1.057 41.045 42.059 0.071 0.000 0.904 292 L HN 0.351 nan 8.230 nan 0.000 0.435 293 G N 0.596 109.425 108.800 0.049 0.000 2.440 293 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.218 293 G HA3 -0.247 3.707 3.960 -0.010 0.000 0.218 293 G C 1.587 176.511 174.900 0.041 0.000 1.154 293 G CA 0.847 45.967 45.100 0.034 0.000 0.767 293 G HN 0.278 nan 8.290 nan 0.000 0.552 294 I N 0.752 121.353 120.570 0.051 0.000 2.179 294 I HA -0.151 4.013 4.170 -0.010 0.000 0.242 294 I C 2.600 178.755 176.117 0.063 0.000 1.088 294 I CA 0.537 61.868 61.300 0.051 0.000 1.357 294 I CB -0.180 37.849 38.000 0.048 0.000 1.051 294 I HN 0.069 nan 8.210 nan 0.000 0.409 295 I N 0.498 121.111 120.570 0.072 0.000 2.194 295 I HA -0.325 3.839 4.170 -0.010 0.000 0.246 295 I C 2.543 178.731 176.117 0.118 0.000 1.093 295 I CA 2.125 63.476 61.300 0.085 0.000 1.355 295 I CB -0.846 37.218 38.000 0.107 0.000 1.046 295 I HN 0.316 nan 8.210 nan 0.000 0.413 296 M N -0.304 119.346 119.600 0.084 0.000 2.254 296 M HA -0.035 4.440 4.480 -0.010 0.000 0.265 296 M C 2.255 178.642 176.300 0.145 0.000 1.066 296 M CA 1.562 56.912 55.300 0.082 0.000 1.123 296 M CB -0.693 31.916 32.600 0.015 0.000 1.388 296 M HN 0.255 nan 8.290 nan 0.000 0.425 297 G N -0.062 108.801 108.800 0.104 0.000 2.394 297 G HA2 -0.102 3.852 3.960 -0.010 0.000 0.214 297 G HA3 -0.102 3.852 3.960 -0.010 0.000 0.214 297 G C 1.496 176.468 174.900 0.120 0.000 1.176 297 G CA 0.492 45.648 45.100 0.093 0.000 0.786 297 G HN 0.266 nan 8.290 nan 0.000 0.533 298 V N 0.501 120.485 119.914 0.118 0.000 2.295 298 V HA -0.131 3.983 4.120 -0.010 0.000 0.246 298 V C 2.329 178.512 176.094 0.148 0.000 1.049 298 V CA 1.825 64.185 62.300 0.099 0.000 1.024 298 V CB -0.653 31.210 31.823 0.068 0.000 0.648 298 V HN 0.365 nan 8.190 nan 0.000 0.447 299 F N 1.507 121.513 119.950 0.093 0.000 2.091 299 F HA -0.264 4.257 4.527 -0.010 0.000 0.299 299 F C 2.457 178.417 175.800 0.267 0.000 1.103 299 F CA 2.440 60.554 58.000 0.190 0.000 1.228 299 F CB -0.664 38.451 39.000 0.191 0.000 0.984 299 F HN 0.140 nan 8.300 nan 0.000 0.477 300 T N 1.611 116.432 114.554 0.446 0.000 2.684 300 T HA -0.213 4.131 4.350 -0.010 0.000 0.267 300 T C 2.142 176.951 174.700 0.182 0.000 1.036 300 T CA 1.892 64.199 62.100 0.345 0.000 1.148 300 T CB -0.625 68.388 68.868 0.241 0.000 0.863 300 T HN 0.265 nan 8.240 nan 0.000 0.436 301 L N 0.324 121.604 121.223 0.095 0.000 2.083 301 L HA -0.102 4.233 4.340 -0.010 0.000 0.209 301 L C 2.812 179.638 176.870 -0.073 0.000 1.083 301 L CA 0.880 55.729 54.840 0.016 0.000 0.752 301 L CB -0.677 41.388 42.059 0.011 0.000 0.899 301 L HN 0.389 nan 8.230 nan 0.000 0.433 302 C N -1.757 117.459 119.300 -0.139 0.000 2.446 302 C HA -0.128 4.326 4.460 -0.010 0.000 0.279 302 C C 2.265 176.942 174.990 -0.522 0.000 1.366 302 C CA 0.356 59.163 59.018 -0.351 0.000 1.763 302 C CB -0.986 26.481 27.740 -0.456 0.000 1.929 302 C HN 0.663 nan 8.230 nan 0.000 0.509 303 W N -1.239 119.884 121.300 -0.295 0.000 2.871 303 W HA 0.252 4.905 4.660 -0.011 0.000 0.267 303 W C 2.091 178.442 176.519 -0.280 0.000 1.180 303 W CA -0.451 56.683 57.345 -0.352 0.000 1.463 303 W CB -0.393 28.810 29.460 -0.428 0.000 0.966 303 W HN 0.003 nan 8.180 nan 0.000 0.605 304 L N 2.176 123.482 121.223 0.138 0.000 2.013 304 L HA -0.121 4.213 4.340 -0.010 0.000 0.212 304 L C -0.800 176.012 176.870 -0.096 0.000 1.073 304 L CA 2.388 57.301 54.840 0.123 0.000 0.753 304 L CB -1.829 40.357 42.059 0.211 0.000 0.890 304 L HN -0.233 nan 8.230 nan 0.000 0.432 305 P HA -0.231 nan 4.420 nan 0.000 0.215 305 P C 1.762 178.698 177.300 -0.606 0.000 1.157 305 P CA 1.574 64.279 63.100 -0.659 0.000 0.868 305 P CB -0.295 30.673 31.700 -1.220 0.000 0.788 306 F N -0.477 119.117 119.950 -0.593 0.000 2.069 306 F HA -0.224 4.299 4.527 -0.006 0.000 0.298 306 F C 1.963 177.464 175.800 -0.498 0.000 1.113 306 F CA 1.645 59.330 58.000 -0.526 0.000 1.214 306 F CB -1.005 37.628 39.000 -0.612 0.000 0.978 306 F HN -0.231 nan 8.300 nan 0.000 0.474 307 F N 0.359 120.122 119.950 -0.311 0.000 2.269 307 F HA -0.147 4.372 4.527 -0.013 0.000 0.301 307 F C 2.208 177.937 175.800 -0.118 0.000 1.082 307 F CA 1.047 58.816 58.000 -0.386 0.000 1.360 307 F CB -0.908 37.622 39.000 -0.784 0.000 1.041 307 F HN 0.011 nan 8.300 nan 0.000 0.512 308 L N -1.136 120.131 121.223 0.074 0.000 1.994 308 L HA -0.210 4.124 4.340 -0.010 0.000 0.208 308 L C 2.463 179.339 176.870 0.010 0.000 1.071 308 L CA 0.855 55.762 54.840 0.113 0.000 0.745 308 L CB -0.821 41.263 42.059 0.040 0.000 0.892 308 L HN -0.084 nan 8.230 nan 0.000 0.431 309 V N 0.350 120.189 119.914 -0.126 0.000 2.332 309 V HA -0.313 3.801 4.120 -0.010 0.000 0.248 309 V C 2.293 178.336 176.094 -0.085 0.000 1.055 309 V CA 2.078 64.328 62.300 -0.083 0.000 1.038 309 V CB -0.640 31.164 31.823 -0.032 0.000 0.651 309 V HN 0.521 nan 8.190 nan 0.000 0.450 310 N N 0.032 118.542 118.700 -0.316 0.000 2.149 310 N HA -0.164 4.570 4.740 -0.010 0.000 0.188 310 N C 1.490 177.021 175.510 0.035 0.000 1.019 310 N CA 1.601 54.543 53.050 -0.180 0.000 0.857 310 N CB -0.131 38.129 38.487 -0.379 0.000 0.997 310 N HN 0.353 nan 8.380 nan 0.000 0.426 311 I N -0.393 120.227 120.570 0.084 0.000 2.400 311 I HA -0.076 4.088 4.170 -0.010 0.000 0.248 311 I C 1.941 178.149 176.117 0.151 0.000 1.109 311 I CA 0.560 61.940 61.300 0.133 0.000 1.425 311 I CB -1.026 37.089 38.000 0.191 0.000 1.094 311 I HN -0.031 nan 8.210 nan 0.000 0.425 312 V N 1.384 121.388 119.914 0.151 0.000 2.490 312 V HA -0.218 3.896 4.120 -0.010 0.000 0.250 312 V C 2.198 178.367 176.094 0.124 0.000 1.061 312 V CA 1.316 63.724 62.300 0.180 0.000 1.064 312 V CB -0.915 30.978 31.823 0.118 0.000 0.670 312 V HN 0.393 nan 8.190 nan 0.000 0.461 313 N N 0.314 119.055 118.700 0.068 0.000 2.258 313 N HA -0.140 4.594 4.740 -0.010 0.000 0.187 313 N C 1.651 177.132 175.510 -0.047 0.000 1.012 313 N CA 1.196 54.255 53.050 0.014 0.000 0.870 313 N CB -0.251 38.242 38.487 0.010 0.000 0.977 313 N HN 0.377 nan 8.380 nan 0.000 0.434 314 V N -0.221 119.625 119.914 -0.113 0.000 2.379 314 V HA -0.147 3.967 4.120 -0.010 0.000 0.245 314 V C 1.527 177.386 176.094 -0.393 0.000 1.044 314 V CA 1.328 63.434 62.300 -0.322 0.000 1.036 314 V CB -0.508 30.996 31.823 -0.532 0.000 0.664 314 V HN 0.142 nan 8.190 nan 0.000 0.453 315 F N -0.729 119.220 119.950 -0.002 0.000 2.569 315 F HA 0.257 4.779 4.527 -0.008 0.000 0.295 315 F C 1.108 176.904 175.800 -0.008 0.000 1.115 315 F CA 0.450 58.447 58.000 -0.006 0.000 1.450 315 F CB 0.176 39.171 39.000 -0.008 0.000 1.107 315 F HN 0.142 nan 8.300 nan 0.000 0.563 316 N N 0.048 118.823 118.700 0.126 0.000 2.629 316 N HA 0.135 4.869 4.740 -0.010 0.000 0.277 316 N C 0.448 175.972 175.510 0.023 0.000 1.188 316 N CA -0.121 52.969 53.050 0.067 0.000 0.835 316 N CB 1.067 39.598 38.487 0.073 0.000 1.420 316 N HN -0.012 nan 8.380 nan 0.000 0.542 317 R N 0.776 121.273 120.500 -0.005 0.000 2.189 317 R HA -0.036 4.298 4.340 -0.010 0.000 0.218 317 R C 0.336 176.618 176.300 -0.030 0.000 1.074 317 R CA 0.626 56.708 56.100 -0.031 0.000 0.991 317 R CB 0.341 30.613 30.300 -0.046 0.000 0.883 317 R HN 0.495 nan 8.270 nan 0.000 0.457 318 D N 0.848 121.240 120.400 -0.013 0.000 2.110 318 D HA -0.084 4.550 4.640 -0.010 0.000 0.202 318 D C 1.869 178.162 176.300 -0.011 0.000 0.975 318 D CA 0.500 54.493 54.000 -0.011 0.000 0.839 318 D CB -0.093 40.706 40.800 -0.001 0.000 0.996 318 D HN -0.038 nan 8.370 nan 0.000 0.464 319 L N 0.461 121.686 121.223 0.002 0.000 2.085 319 L HA -0.157 4.177 4.340 -0.010 0.000 0.218 319 L C 0.541 177.403 176.870 -0.014 0.000 1.080 319 L CA 1.324 56.167 54.840 0.006 0.000 0.776 319 L CB -0.052 42.022 42.059 0.024 0.000 0.891 319 L HN -0.166 nan 8.230 nan 0.000 0.437 320 V N 1.380 121.278 119.914 -0.026 0.000 2.370 320 V HA 0.333 4.447 4.120 -0.010 0.000 0.283 320 V C -2.008 174.005 176.094 -0.136 0.000 1.023 320 V CA -1.605 60.657 62.300 -0.065 0.000 0.857 320 V CB 1.212 33.038 31.823 0.004 0.000 0.985 320 V HN 0.127 nan 8.190 nan 0.000 0.443 321 P HA 0.070 nan 4.420 nan 0.000 0.268 321 P C 0.689 177.762 177.300 -0.379 0.000 1.204 321 P CA 0.043 62.923 63.100 -0.368 0.000 0.768 321 P CB 0.808 32.108 31.700 -0.667 0.000 0.842 322 D N 2.681 122.988 120.400 -0.156 0.000 2.157 322 D HA -0.184 4.450 4.640 -0.010 0.000 0.191 322 D C 1.608 177.944 176.300 0.060 0.000 1.004 322 D CA 1.594 55.575 54.000 -0.032 0.000 0.854 322 D CB -0.034 40.794 40.800 0.047 0.000 0.936 322 D HN 0.590 nan 8.370 nan 0.000 0.446 323 W N 0.584 121.926 121.300 0.070 0.000 2.425 323 W HA -0.086 4.571 4.660 -0.006 0.000 0.277 323 W C 1.859 178.397 176.519 0.032 0.000 1.231 323 W CA -0.181 57.203 57.345 0.064 0.000 1.248 323 W CB -1.183 28.288 29.460 0.020 0.000 1.117 323 W HN -0.025 nan 8.180 nan 0.000 0.568 324 L N 0.624 121.447 121.223 -0.667 0.000 2.044 324 L HA -0.023 4.311 4.340 -0.010 0.000 0.205 324 L C 2.676 179.324 176.870 -0.370 0.000 1.075 324 L CA 1.713 56.087 54.840 -0.777 0.000 0.747 324 L CB -1.405 39.968 42.059 -1.144 0.000 0.903 324 L HN -0.086 nan 8.230 nan 0.000 0.435 325 F N -0.505 119.306 119.950 -0.232 0.000 2.043 325 F HA -0.315 4.207 4.527 -0.009 0.000 0.297 325 F C 2.263 178.155 175.800 0.153 0.000 1.118 325 F CA 2.384 60.401 58.000 0.028 0.000 1.202 325 F CB -0.554 38.456 39.000 0.017 0.000 0.965 325 F HN -0.086 nan 8.300 nan 0.000 0.482 326 V N 0.316 120.477 119.914 0.412 0.000 2.407 326 V HA -0.311 3.803 4.120 -0.010 0.000 0.248 326 V C 2.646 178.912 176.094 0.286 0.000 1.055 326 V CA 1.655 64.178 62.300 0.372 0.000 1.049 326 V CB -1.546 30.538 31.823 0.435 0.000 0.662 326 V HN 0.534 nan 8.190 nan 0.000 0.455 327 A N -0.131 122.790 122.820 0.169 0.000 1.858 327 A HA -0.186 4.128 4.320 -0.010 0.000 0.216 327 A C 2.005 179.623 177.584 0.056 0.000 1.190 327 A CA 1.792 53.887 52.037 0.097 0.000 0.617 327 A CB -0.758 18.219 19.000 -0.039 0.000 0.827 327 A HN 0.435 nan 8.150 nan 0.000 0.443 328 F N 0.259 120.190 119.950 -0.032 0.000 2.250 328 F HA -0.150 4.370 4.527 -0.012 0.000 0.301 328 F C 2.097 177.686 175.800 -0.352 0.000 1.077 328 F CA 0.990 58.907 58.000 -0.138 0.000 1.348 328 F CB -1.135 37.807 39.000 -0.096 0.000 1.040 328 F HN 0.426 nan 8.300 nan 0.000 0.509 329 N N -1.583 116.952 118.700 -0.274 0.000 2.300 329 N HA -0.160 4.574 4.740 -0.010 0.000 0.179 329 N C 1.759 176.577 175.510 -1.153 0.000 1.016 329 N CA 0.553 53.054 53.050 -0.915 0.000 0.876 329 N CB -0.185 37.755 38.487 -0.910 0.000 0.979 329 N HN 0.178 nan 8.380 nan 0.000 0.432 330 W N 0.647 121.574 121.300 -0.621 0.000 2.436 330 W HA 0.001 4.655 4.660 -0.010 0.000 0.284 330 W C 1.963 178.246 176.519 -0.393 0.000 1.225 330 W CA 0.038 57.104 57.345 -0.466 0.000 1.271 330 W CB -0.334 29.042 29.460 -0.141 0.000 1.114 330 W HN 0.148 nan 8.180 nan 0.000 0.559 331 L N 0.753 121.868 121.223 -0.180 0.000 2.079 331 L HA -0.025 4.309 4.340 -0.010 0.000 0.210 331 L C 2.276 178.783 176.870 -0.605 0.000 1.081 331 L CA 2.526 57.220 54.840 -0.243 0.000 0.752 331 L CB -1.380 40.601 42.059 -0.130 0.000 0.896 331 L HN 0.013 nan 8.230 nan 0.000 0.433 332 G N -1.385 106.728 108.800 -1.146 0.000 2.459 332 G HA2 -0.323 3.631 3.960 -0.010 0.000 0.217 332 G HA3 -0.323 3.631 3.960 -0.010 0.000 0.217 332 G C 1.381 175.631 174.900 -1.082 0.000 1.183 332 G CA 1.029 44.772 45.100 -2.262 0.000 0.776 332 G HN 0.442 nan 8.290 nan 0.000 0.552 333 Y N 1.366 121.266 120.300 -0.666 0.000 2.207 333 Y HA 0.016 4.560 4.550 -0.009 0.000 0.287 333 Y C 3.141 178.959 175.900 -0.136 0.000 1.156 333 Y CA 0.065 57.995 58.100 -0.283 0.000 1.182 333 Y CB -1.175 37.087 38.460 -0.331 0.000 0.979 333 Y HN 0.279 nan 8.280 nan 0.000 0.521 334 A N 0.337 123.170 122.820 0.021 0.000 1.978 334 A HA -0.288 4.026 4.320 -0.010 0.000 0.220 334 A C 2.165 179.740 177.584 -0.015 0.000 1.170 334 A CA 1.851 53.908 52.037 0.033 0.000 0.636 334 A CB -1.123 17.878 19.000 0.003 0.000 0.810 334 A HN 0.555 nan 8.150 nan 0.000 0.448 335 N N 0.191 118.833 118.700 -0.096 0.000 2.272 335 N HA -0.124 4.610 4.740 -0.010 0.000 0.185 335 N C 1.437 176.992 175.510 0.074 0.000 1.014 335 N CA 1.584 54.614 53.050 -0.034 0.000 0.870 335 N CB -0.248 38.185 38.487 -0.090 0.000 0.975 335 N HN 0.312 nan 8.380 nan 0.000 0.433 336 S N -1.079 114.682 115.700 0.102 0.000 2.547 336 S HA 0.086 4.550 4.470 -0.010 0.000 0.235 336 S C 1.431 176.075 174.600 0.072 0.000 0.980 336 S CA 0.688 58.961 58.200 0.122 0.000 0.941 336 S CB -0.078 63.199 63.200 0.130 0.000 0.763 336 S HN 0.592 nan 8.310 nan 0.000 0.532 337 A N 0.132 122.977 122.820 0.043 0.000 2.229 337 A HA 0.387 4.701 4.320 -0.010 0.000 0.211 337 A C 1.764 179.335 177.584 -0.021 0.000 1.193 337 A CA -0.039 52.007 52.037 0.015 0.000 0.879 337 A CB -0.124 18.889 19.000 0.021 0.000 0.911 337 A HN 0.432 nan 8.150 nan 0.000 0.492 338 M N -0.351 119.234 119.600 -0.024 0.000 2.357 338 M HA -0.008 4.466 4.480 -0.010 0.000 0.266 338 M C 1.560 177.777 176.300 -0.139 0.000 1.095 338 M CA 0.744 56.010 55.300 -0.057 0.000 1.156 338 M CB -0.216 32.366 32.600 -0.031 0.000 1.365 338 M HN 0.287 nan 8.290 nan 0.000 0.447 339 N N 0.592 119.182 118.700 -0.184 0.000 2.104 339 N HA -0.103 4.631 4.740 -0.010 0.000 0.190 339 N C -1.016 174.042 175.510 -0.753 0.000 1.024 339 N CA 1.407 54.167 53.050 -0.483 0.000 0.853 339 N CB -1.759 36.508 38.487 -0.367 0.000 1.008 339 N HN 0.196 nan 8.380 nan 0.000 0.424 340 P HA -0.034 nan 4.420 nan 0.000 0.217 340 P C 1.398 178.646 177.300 -0.086 0.000 1.150 340 P CA 0.836 63.855 63.100 -0.135 0.000 0.832 340 P CB 0.100 31.754 31.700 -0.076 0.000 0.787 341 I N -1.152 119.347 120.570 -0.119 0.000 2.163 341 I HA -0.212 3.953 4.170 -0.010 0.000 0.240 341 I C 2.257 178.352 176.117 -0.036 0.000 1.081 341 I CA 1.379 62.651 61.300 -0.047 0.000 1.353 341 I CB -0.597 37.375 38.000 -0.047 0.000 1.054 341 I HN -0.162 nan 8.210 nan 0.000 0.407 342 I N -0.171 120.314 120.570 -0.142 0.000 2.335 342 I HA -0.320 3.844 4.170 -0.010 0.000 0.251 342 I C 2.048 178.149 176.117 -0.025 0.000 1.129 342 I CA 1.355 62.586 61.300 -0.115 0.000 1.402 342 I CB -0.438 37.453 38.000 -0.182 0.000 1.069 342 I HN 0.237 nan 8.210 nan 0.000 0.424 343 Y N -0.172 120.097 120.300 -0.052 0.000 2.639 343 Y HA -0.124 4.420 4.550 -0.010 0.000 0.297 343 Y C 2.409 178.299 175.900 -0.017 0.000 1.151 343 Y CA -0.278 57.707 58.100 -0.191 0.000 1.335 343 Y CB -1.436 36.653 38.460 -0.618 0.000 0.994 343 Y HN 0.265 nan 8.280 nan 0.000 0.548 344 C N -0.552 118.888 119.300 0.232 0.000 2.539 344 C HA -0.015 4.439 4.460 -0.010 0.000 0.271 344 C C 2.400 177.487 174.990 0.162 0.000 1.412 344 C CA 0.077 59.238 59.018 0.237 0.000 1.729 344 C CB -1.343 26.538 27.740 0.234 0.000 1.739 344 C HN 0.465 nan 8.230 nan 0.000 0.570 345 R N 0.745 121.330 120.500 0.142 0.000 2.237 345 R HA -0.046 4.288 4.340 -0.010 0.000 0.219 345 R C 1.114 177.490 176.300 0.127 0.000 1.080 345 R CA 0.630 56.801 56.100 0.118 0.000 0.995 345 R CB -0.041 30.325 30.300 0.110 0.000 0.875 345 R HN 0.401 nan 8.270 nan 0.000 0.462 346 S N 0.547 116.347 115.700 0.166 0.000 2.429 346 S HA 0.226 4.690 4.470 -0.010 0.000 0.302 346 S C -1.905 172.776 174.600 0.134 0.000 1.115 346 S CA -2.075 56.230 58.200 0.174 0.000 1.095 346 S CB 1.399 64.783 63.200 0.307 0.000 0.987 346 S HN -0.167 nan 8.310 nan 0.000 0.474 347 P HA -0.175 nan 4.420 nan 0.000 0.217 347 P C 0.918 178.217 177.300 -0.002 0.000 1.158 347 P CA 1.445 64.569 63.100 0.039 0.000 0.887 347 P CB 0.080 31.794 31.700 0.023 0.000 0.792 348 D N -1.733 118.643 120.400 -0.040 0.000 2.097 348 D HA -0.142 4.492 4.640 -0.010 0.000 0.195 348 D C 1.956 178.096 176.300 -0.266 0.000 0.989 348 D CA 1.146 55.051 54.000 -0.158 0.000 0.827 348 D CB -0.567 40.095 40.800 -0.230 0.000 0.966 348 D HN 0.143 nan 8.370 nan 0.000 0.456 349 F N 1.371 121.163 119.950 -0.263 0.000 2.102 349 F HA -0.107 4.414 4.527 -0.009 0.000 0.298 349 F C 2.730 178.103 175.800 -0.711 0.000 1.105 349 F CA 0.999 58.655 58.000 -0.574 0.000 1.239 349 F CB -0.375 38.325 39.000 -0.500 0.000 0.991 349 F HN -0.210 nan 8.300 nan 0.000 0.474 350 R N 0.356 120.806 120.500 -0.084 0.000 2.094 350 R HA -0.225 4.109 4.340 -0.010 0.000 0.239 350 R C 2.204 178.536 176.300 0.053 0.000 1.137 350 R CA 1.957 58.101 56.100 0.073 0.000 0.943 350 R CB -0.255 30.114 30.300 0.115 0.000 0.850 350 R HN 0.124 nan 8.270 nan 0.000 0.433 351 K N -0.743 119.650 120.400 -0.012 0.000 2.097 351 K HA -0.085 4.229 4.320 -0.010 0.000 0.206 351 K C 1.892 178.484 176.600 -0.013 0.000 1.049 351 K CA 1.409 57.692 56.287 -0.006 0.000 0.933 351 K CB -0.040 32.443 32.500 -0.029 0.000 0.717 351 K HN 0.244 nan 8.250 nan 0.000 0.442 352 A N 0.165 122.927 122.820 -0.097 0.000 1.929 352 A HA -0.098 4.216 4.320 -0.010 0.000 0.216 352 A C 1.767 179.413 177.584 0.104 0.000 1.176 352 A CA 1.041 53.036 52.037 -0.070 0.000 0.628 352 A CB -0.507 18.371 19.000 -0.203 0.000 0.816 352 A HN 0.159 nan 8.150 nan 0.000 0.444 353 F N 0.342 120.349 119.950 0.094 0.000 2.084 353 F HA -0.061 4.460 4.527 -0.010 0.000 0.296 353 F C 2.213 178.052 175.800 0.066 0.000 1.111 353 F CA 1.406 59.465 58.000 0.098 0.000 1.224 353 F CB -0.914 38.160 39.000 0.123 0.000 0.991 353 F HN 0.138 nan 8.300 nan 0.000 0.471 354 K N -0.232 120.325 120.400 0.261 0.000 2.103 354 K HA -0.187 4.127 4.320 -0.010 0.000 0.207 354 K C 2.319 178.983 176.600 0.106 0.000 1.048 354 K CA 1.254 57.630 56.287 0.150 0.000 0.930 354 K CB -0.162 32.405 32.500 0.112 0.000 0.716 354 K HN 0.063 nan 8.250 nan 0.000 0.444 355 R N 0.849 121.406 120.500 0.095 0.000 2.075 355 R HA -0.066 4.268 4.340 -0.010 0.000 0.232 355 R C 2.145 178.489 176.300 0.073 0.000 1.126 355 R CA 1.060 57.199 56.100 0.065 0.000 0.963 355 R CB -0.162 30.162 30.300 0.040 0.000 0.858 355 R HN 0.154 nan 8.270 nan 0.000 0.435 356 L N 0.724 122.010 121.223 0.106 0.000 2.056 356 L HA -0.145 4.189 4.340 -0.010 0.000 0.207 356 L C 2.147 179.066 176.870 0.081 0.000 1.078 356 L CA 1.005 55.906 54.840 0.101 0.000 0.749 356 L CB -0.167 41.981 42.059 0.150 0.000 0.901 356 L HN 0.233 nan 8.230 nan 0.000 0.433 357 L N -0.302 120.973 121.223 0.087 0.000 2.622 357 L HA 0.080 4.415 4.340 -0.010 0.000 0.233 357 L C 1.267 178.163 176.870 0.044 0.000 1.156 357 L CA 0.116 54.991 54.840 0.058 0.000 0.866 357 L CB -0.841 41.251 42.059 0.055 0.000 0.980 357 L HN 0.336 nan 8.230 nan 0.000 0.448 358 A N 0.000 122.848 122.820 0.046 0.000 2.254 358 A HA 0.000 4.314 4.320 -0.010 0.000 0.244 358 A CA 0.000 52.058 52.037 0.034 0.000 0.836 358 A CB 0.000 19.017 19.000 0.027 0.000 0.831 358 A HN 0.000 nan 8.150 nan 0.000 0.486