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 1bk5_1_A DATA FIRST_RESID 89 DATA SEQUENCE LPQMTQQLNS DDMQEQLSAT VKFRQILSRE HRPPIDVVIQ AGVVPRLVEF DATA SEQUENCE MRENQPEMLQ LEAAWALTNI ASGTSAQTKV VVDADAVPLF IQLLYTGSVE DATA SEQUENCE VKEQAIWALG NVAGDSTDYR DYVLQCNAME PILGLFNSNK PSLIRTATWT DATA SEQUENCE LSNLCRGKKP QPDWSVVSQA LPTLAKLIYS MDTETLVDAC WAISYLSDGP DATA SEQUENCE QEAIQAVIDV RIPKRLVELL SHESTLVQTP ALRAVGNIVT GNDLQTQVVI DATA SEQUENCE NAGVLPALRL LLSSPKENIK KEACWTISNI TAGNTEQIQA VIDANLIPPL DATA SEQUENCE VKLLEVAEYK TKKEACWAIS NASSGGLQRP DIIRYLVSQG CIKPLCDLLE DATA SEQUENCE IADNRIIEVT LDALENILKM GEADKEARGL NINENADFIE KAGGMEKIFN DATA SEQUENCE CQQNENDKIY EKAYKIIETY FG 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 89 L HA 0.000 nan 4.340 nan 0.000 0.249 89 L C 0.000 176.887 176.870 0.027 0.000 1.165 89 L CA 0.000 54.801 54.840 -0.064 0.000 0.813 89 L CB 0.000 42.063 42.059 0.007 0.000 0.961 90 P HA -0.139 nan 4.420 nan 0.000 0.216 90 P C 1.258 178.582 177.300 0.040 0.000 1.150 90 P CA 1.602 64.725 63.100 0.038 0.000 0.837 90 P CB 0.157 31.869 31.700 0.020 0.000 0.786 91 Q N -1.526 118.283 119.800 0.016 0.000 2.096 91 Q HA -0.013 4.327 4.340 -0.000 0.000 0.197 91 Q C 2.176 178.198 176.000 0.037 0.000 0.964 91 Q CA 1.217 57.029 55.803 0.016 0.000 0.838 91 Q CB -0.462 28.271 28.738 -0.008 0.000 0.906 91 Q HN 0.293 nan 8.270 nan 0.000 0.444 92 M N 0.069 119.677 119.600 0.014 0.000 2.117 92 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 92 M C 2.174 178.650 176.300 0.292 0.000 1.065 92 M CA 1.376 56.713 55.300 0.061 0.000 1.114 92 M CB -0.363 32.070 32.600 -0.278 0.000 1.361 92 M HN 0.125 nan 8.290 nan 0.000 0.408 93 T N 0.402 115.134 114.554 0.296 0.000 2.759 93 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 93 T C 1.814 176.603 174.700 0.147 0.000 1.042 93 T CA 1.381 63.637 62.100 0.260 0.000 1.140 93 T CB -0.260 68.715 68.868 0.178 0.000 0.864 93 T HN 0.478 nan 8.240 nan 0.000 0.455 94 Q N 0.611 120.478 119.800 0.112 0.000 2.020 94 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 94 Q C 2.653 178.707 176.000 0.089 0.000 0.982 94 Q CA 1.277 57.127 55.803 0.078 0.000 0.838 94 Q CB -0.189 28.582 28.738 0.055 0.000 0.899 94 Q HN 0.590 nan 8.270 nan 0.000 0.423 95 Q N 0.189 120.052 119.800 0.104 0.000 2.096 95 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 95 Q C 2.159 178.248 176.000 0.147 0.000 0.982 95 Q CA 0.949 56.816 55.803 0.106 0.000 0.850 95 Q CB -0.130 28.668 28.738 0.100 0.000 0.901 95 Q HN 0.237 nan 8.270 nan 0.000 0.422 96 L N 1.321 122.662 121.223 0.196 0.000 2.079 96 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 96 L C 1.363 178.349 176.870 0.192 0.000 1.081 96 L CA 1.623 56.602 54.840 0.232 0.000 0.752 96 L CB -0.286 41.868 42.059 0.157 0.000 0.896 96 L HN 0.181 nan 8.230 nan 0.000 0.433 97 N N -0.889 117.876 118.700 0.109 0.000 2.449 97 N HA -0.011 4.729 4.740 -0.000 0.000 0.191 97 N C 0.601 176.163 175.510 0.087 0.000 1.161 97 N CA 0.250 53.344 53.050 0.073 0.000 0.863 97 N CB -0.008 38.498 38.487 0.033 0.000 0.980 97 N HN 0.278 nan 8.380 nan 0.000 0.458 98 S N 0.385 116.148 115.700 0.104 0.000 2.593 98 S HA 0.071 4.541 4.470 -0.000 0.000 0.269 98 S C 0.733 175.383 174.600 0.083 0.000 1.334 98 S CA -0.324 57.922 58.200 0.078 0.000 1.015 98 S CB 1.021 64.262 63.200 0.067 0.000 0.912 98 S HN 0.085 nan 8.310 nan 0.000 0.541 99 D N 0.738 121.171 120.400 0.055 0.000 2.350 99 D HA 0.072 4.712 4.640 -0.000 0.000 0.213 99 D C -0.205 176.111 176.300 0.028 0.000 1.031 99 D CA 0.214 54.242 54.000 0.048 0.000 0.861 99 D CB 0.021 40.842 40.800 0.035 0.000 0.926 99 D HN 0.554 nan 8.370 nan 0.000 0.520 100 D N 1.281 121.695 120.400 0.024 0.000 2.325 100 D HA -0.011 4.629 4.640 -0.000 0.000 0.251 100 D C 1.275 177.568 176.300 -0.012 0.000 1.196 100 D CA -0.299 53.705 54.000 0.007 0.000 0.866 100 D CB 1.371 42.177 40.800 0.010 0.000 1.101 100 D HN -0.195 nan 8.370 nan 0.000 0.476 101 M N 4.158 123.739 119.600 -0.031 0.000 2.073 101 M HA -0.234 4.246 4.480 -0.000 0.000 0.258 101 M C 1.952 178.212 176.300 -0.067 0.000 1.070 101 M CA 1.892 57.151 55.300 -0.070 0.000 1.103 101 M CB -0.529 32.034 32.600 -0.062 0.000 1.321 101 M HN 0.579 nan 8.290 nan 0.000 0.405 102 Q N -0.529 119.248 119.800 -0.038 0.000 2.181 102 Q HA -0.230 4.110 4.340 -0.000 0.000 0.205 102 Q C 1.880 177.869 176.000 -0.018 0.000 0.980 102 Q CA 1.997 57.783 55.803 -0.027 0.000 0.862 102 Q CB -0.079 28.651 28.738 -0.015 0.000 0.905 102 Q HN 0.698 nan 8.270 nan 0.000 0.429 103 E N -0.304 119.891 120.200 -0.008 0.000 2.028 103 E HA -0.188 4.162 4.350 -0.000 0.000 0.190 103 E C 2.112 178.729 176.600 0.028 0.000 0.984 103 E CA 1.068 57.478 56.400 0.016 0.000 0.800 103 E CB 0.042 29.760 29.700 0.030 0.000 0.758 103 E HN 0.463 nan 8.360 nan 0.000 0.448 104 Q N 0.511 120.311 119.800 0.001 0.000 2.061 104 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 104 Q C 2.347 178.317 176.000 -0.051 0.000 0.984 104 Q CA 1.174 56.973 55.803 -0.007 0.000 0.846 104 Q CB -0.256 28.346 28.738 -0.228 0.000 0.902 104 Q HN 0.171 nan 8.270 nan 0.000 0.421 105 L N 0.646 121.803 121.223 -0.110 0.000 1.989 105 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 105 L C 2.451 179.322 176.870 0.001 0.000 1.071 105 L CA 2.198 56.992 54.840 -0.075 0.000 0.749 105 L CB -0.991 41.025 42.059 -0.073 0.000 0.890 105 L HN 0.138 nan 8.230 nan 0.000 0.431 106 S N -0.966 114.739 115.700 0.008 0.000 2.370 106 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 106 S C 2.098 176.728 174.600 0.051 0.000 1.033 106 S CA 1.387 59.599 58.200 0.020 0.000 1.011 106 S CB -0.491 62.716 63.200 0.013 0.000 0.852 106 S HN 0.654 nan 8.310 nan 0.000 0.457 107 A N 0.156 123.035 122.820 0.098 0.000 1.929 107 A HA 0.000 4.320 4.320 -0.000 0.000 0.216 107 A C 2.327 180.093 177.584 0.304 0.000 1.176 107 A CA 1.975 54.121 52.037 0.182 0.000 0.628 107 A CB -1.306 17.840 19.000 0.245 0.000 0.816 107 A HN 0.584 nan 8.150 nan 0.000 0.444 108 T N -0.329 114.378 114.554 0.254 0.000 2.821 108 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 108 T C 1.856 176.657 174.700 0.169 0.000 1.046 108 T CA 1.436 63.696 62.100 0.267 0.000 1.139 108 T CB -0.324 68.675 68.868 0.218 0.000 0.871 108 T HN 0.152 nan 8.240 nan 0.000 0.454 109 V N 1.578 121.540 119.914 0.080 0.000 2.295 109 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 109 V C 2.495 178.567 176.094 -0.036 0.000 1.049 109 V CA 1.584 63.879 62.300 -0.009 0.000 1.024 109 V CB -0.442 31.369 31.823 -0.021 0.000 0.648 109 V HN 0.474 nan 8.190 nan 0.000 0.447 110 K N -0.800 119.592 120.400 -0.014 0.000 2.063 110 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 110 K C 2.096 178.626 176.600 -0.116 0.000 1.048 110 K CA 1.761 57.993 56.287 -0.092 0.000 0.928 110 K CB -0.383 32.033 32.500 -0.139 0.000 0.713 110 K HN 0.367 nan 8.250 nan 0.000 0.442 111 F N 1.349 121.278 119.950 -0.034 0.000 2.134 111 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 111 F C 2.680 178.439 175.800 -0.068 0.000 1.097 111 F CA 1.228 59.211 58.000 -0.028 0.000 1.264 111 F CB -0.220 38.783 39.000 0.006 0.000 1.001 111 F HN 0.012 nan 8.300 nan 0.000 0.479 112 R N 0.607 121.142 120.500 0.059 0.000 2.083 112 R HA -0.222 4.118 4.340 -0.000 0.000 0.237 112 R C 2.087 178.236 176.300 -0.252 0.000 1.137 112 R CA 2.052 58.051 56.100 -0.168 0.000 0.951 112 R CB -0.468 29.606 30.300 -0.377 0.000 0.851 112 R HN 0.350 nan 8.270 nan 0.000 0.434 113 Q N 0.417 120.084 119.800 -0.221 0.000 2.061 113 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 113 Q C 2.253 178.192 176.000 -0.102 0.000 0.984 113 Q CA 2.118 57.810 55.803 -0.185 0.000 0.846 113 Q CB -0.311 28.339 28.738 -0.147 0.000 0.902 113 Q HN 0.601 nan 8.270 nan 0.000 0.421 114 I N -2.365 118.159 120.570 -0.078 0.000 2.546 114 I HA -0.136 4.033 4.170 -0.000 0.000 0.255 114 I C 1.628 177.748 176.117 0.006 0.000 1.163 114 I CA 1.107 62.383 61.300 -0.041 0.000 1.457 114 I CB -0.211 37.746 38.000 -0.071 0.000 1.092 114 I HN 0.070 nan 8.210 nan 0.000 0.434 115 L N 0.698 121.934 121.223 0.022 0.000 2.599 115 L HA 0.092 4.432 4.340 -0.000 0.000 0.230 115 L C 1.860 178.768 176.870 0.062 0.000 1.141 115 L CA 0.267 55.146 54.840 0.065 0.000 0.877 115 L CB -0.191 41.930 42.059 0.103 0.000 1.009 115 L HN 0.208 nan 8.230 nan 0.000 0.447 116 S N -1.325 114.384 115.700 0.015 0.000 2.524 116 S HA 0.150 4.620 4.470 -0.000 0.000 0.215 116 S C 0.596 175.225 174.600 0.047 0.000 0.986 116 S CA -0.449 57.779 58.200 0.047 0.000 0.911 116 S CB 0.110 63.297 63.200 -0.022 0.000 0.805 116 S HN 0.222 nan 8.310 nan 0.000 0.501 117 R N 2.746 123.268 120.500 0.037 0.000 2.494 117 R HA 0.002 4.342 4.340 -0.000 0.000 0.291 117 R C 0.917 177.230 176.300 0.022 0.000 0.953 117 R CA 0.315 56.440 56.100 0.042 0.000 1.098 117 R CB -0.100 30.251 30.300 0.084 0.000 0.911 117 R HN 0.531 nan 8.270 nan 0.000 0.407 118 E N 2.433 122.596 120.200 -0.063 0.000 2.051 118 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 118 E C 1.173 177.720 176.600 -0.088 0.000 0.991 118 E CA 1.076 57.409 56.400 -0.111 0.000 0.799 118 E CB -0.073 29.492 29.700 -0.225 0.000 0.748 118 E HN 0.552 nan 8.360 nan 0.000 0.449 119 H N 0.772 119.856 119.070 0.024 0.000 3.906 119 H HA -0.063 4.493 4.556 -0.000 0.000 0.294 119 H C 0.688 176.031 175.328 0.026 0.000 0.960 119 H CA 1.245 57.306 56.048 0.021 0.000 0.943 119 H CB -0.116 29.655 29.762 0.014 0.000 1.877 119 H HN 0.002 nan 8.280 nan 0.000 1.215 120 R N 1.703 122.320 120.500 0.195 0.000 2.443 120 R HA 0.244 4.584 4.340 -0.000 0.000 0.287 120 R C -2.451 173.903 176.300 0.090 0.000 1.425 120 R CA -1.600 54.566 56.100 0.108 0.000 1.300 120 R CB 1.492 31.839 30.300 0.079 0.000 1.129 120 R HN 0.370 nan 8.270 nan 0.000 0.577 121 P HA 0.007 nan 4.420 nan 0.000 0.261 121 P C -2.163 175.177 177.300 0.067 0.000 1.183 121 P CA -0.806 62.340 63.100 0.075 0.000 0.761 121 P CB 0.551 32.300 31.700 0.082 0.000 0.785 122 P HA 0.074 nan 4.420 nan 0.000 0.246 122 P C 1.313 178.654 177.300 0.069 0.000 1.675 122 P CA -0.045 63.087 63.100 0.053 0.000 0.908 122 P CB -0.381 31.342 31.700 0.037 0.000 1.890 123 I N 0.192 120.806 120.570 0.073 0.000 2.118 123 I HA -0.266 3.904 4.170 -0.000 0.000 0.241 123 I C 1.964 178.123 176.117 0.070 0.000 1.070 123 I CA 1.603 62.951 61.300 0.079 0.000 1.327 123 I CB -0.554 37.492 38.000 0.075 0.000 1.034 123 I HN 0.091 nan 8.210 nan 0.000 0.405 124 D N 0.609 121.042 120.400 0.056 0.000 2.117 124 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 124 D C 2.373 178.703 176.300 0.050 0.000 0.987 124 D CA 1.200 55.228 54.000 0.047 0.000 0.829 124 D CB -0.268 40.554 40.800 0.037 0.000 0.961 124 D HN 0.194 nan 8.370 nan 0.000 0.460 125 V N 1.053 120.999 119.914 0.054 0.000 2.407 125 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 125 V C 2.693 178.838 176.094 0.086 0.000 1.055 125 V CA 0.964 63.298 62.300 0.056 0.000 1.049 125 V CB -0.379 31.472 31.823 0.046 0.000 0.662 125 V HN 0.051 nan 8.190 nan 0.000 0.455 126 V N -0.220 119.762 119.914 0.114 0.000 2.427 126 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 126 V C 2.139 178.292 176.094 0.097 0.000 1.051 126 V CA 1.992 64.399 62.300 0.178 0.000 1.048 126 V CB -0.436 31.519 31.823 0.220 0.000 0.666 126 V HN 0.450 nan 8.190 nan 0.000 0.456 127 I N -0.422 120.185 120.570 0.061 0.000 2.252 127 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 127 I C 2.688 178.818 176.117 0.021 0.000 1.102 127 I CA 1.125 62.441 61.300 0.026 0.000 1.385 127 I CB -0.442 37.574 38.000 0.027 0.000 1.064 127 I HN 0.323 nan 8.210 nan 0.000 0.414 128 Q N 0.772 120.593 119.800 0.034 0.000 2.181 128 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 128 Q C 2.427 178.445 176.000 0.030 0.000 0.980 128 Q CA 1.720 57.540 55.803 0.028 0.000 0.862 128 Q CB -0.425 28.333 28.738 0.032 0.000 0.905 128 Q HN 0.578 nan 8.270 nan 0.000 0.429 129 A N 0.345 123.196 122.820 0.051 0.000 2.070 129 A HA 0.054 4.374 4.320 -0.000 0.000 0.220 129 A C 1.673 179.266 177.584 0.015 0.000 1.159 129 A CA 1.423 53.498 52.037 0.062 0.000 0.656 129 A CB -0.618 18.469 19.000 0.145 0.000 0.800 129 A HN 0.510 nan 8.150 nan 0.000 0.453 130 G N -1.654 107.138 108.800 -0.014 0.000 2.147 130 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 130 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 130 G C 0.821 175.664 174.900 -0.095 0.000 1.005 130 G CA 0.928 46.001 45.100 -0.045 0.000 0.713 130 G HN 1.622 nan 8.290 nan 0.000 0.515 131 V N -2.782 117.043 119.914 -0.148 0.000 3.647 131 V HA 0.297 4.417 4.120 -0.000 0.000 0.279 131 V C 2.271 178.195 176.094 -0.284 0.000 1.314 131 V CA 1.087 63.226 62.300 -0.268 0.000 1.125 131 V CB 0.161 31.686 31.823 -0.498 0.000 0.907 131 V HN 0.232 nan 8.190 nan 0.000 0.434 132 V N 1.875 121.673 119.914 -0.192 0.000 2.255 132 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 132 V C 0.802 176.786 176.094 -0.184 0.000 1.051 132 V CA 3.035 65.237 62.300 -0.164 0.000 1.018 132 V CB -1.735 30.033 31.823 -0.092 0.000 0.641 132 V HN 0.531 nan 8.190 nan 0.000 0.445 133 P HA -0.224 nan 4.420 nan 0.000 0.217 133 P C 1.534 178.687 177.300 -0.246 0.000 1.148 133 P CA 1.636 64.635 63.100 -0.168 0.000 0.828 133 P CB -0.064 31.558 31.700 -0.128 0.000 0.783 134 R N 0.579 120.889 120.500 -0.316 0.000 2.081 134 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 134 R C 2.558 178.398 176.300 -0.768 0.000 1.131 134 R CA 1.328 57.124 56.100 -0.508 0.000 0.960 134 R CB -1.681 28.332 30.300 -0.478 0.000 0.856 134 R HN 0.155 nan 8.270 nan 0.000 0.436 135 L N -0.445 120.456 121.223 -0.535 0.000 2.083 135 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 135 L C 2.279 179.007 176.870 -0.237 0.000 1.083 135 L CA 0.962 55.577 54.840 -0.375 0.000 0.752 135 L CB -0.465 41.477 42.059 -0.196 0.000 0.899 135 L HN 0.027 nan 8.230 nan 0.000 0.433 136 V N -0.224 119.549 119.914 -0.235 0.000 2.407 136 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 136 V C 2.409 178.416 176.094 -0.146 0.000 1.055 136 V CA 1.676 63.862 62.300 -0.191 0.000 1.049 136 V CB -0.468 31.246 31.823 -0.181 0.000 0.662 136 V HN 0.457 nan 8.190 nan 0.000 0.455 137 E N -0.321 119.759 120.200 -0.200 0.000 2.085 137 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 137 E C 2.006 178.663 176.600 0.095 0.000 0.994 137 E CA 1.349 57.684 56.400 -0.108 0.000 0.801 137 E CB -0.161 29.418 29.700 -0.202 0.000 0.743 137 E HN 0.573 nan 8.360 nan 0.000 0.453 138 F N -0.131 119.791 119.950 -0.047 0.000 2.546 138 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 138 F C 1.898 177.685 175.800 -0.021 0.000 1.120 138 F CA 0.725 58.709 58.000 -0.026 0.000 1.456 138 F CB -0.373 38.618 39.000 -0.016 0.000 1.088 138 F HN 0.039 nan 8.300 nan 0.000 0.572 139 M N -1.072 118.602 119.600 0.123 0.000 2.495 139 M HA 0.061 4.540 4.480 -0.000 0.000 0.237 139 M C 0.739 177.058 176.300 0.032 0.000 1.131 139 M CA 0.174 55.503 55.300 0.049 0.000 1.032 139 M CB 0.035 32.597 32.600 -0.063 0.000 1.513 139 M HN -0.202 nan 8.290 nan 0.000 0.488 140 R N 1.003 121.529 120.500 0.043 0.000 2.784 140 R HA -0.043 4.297 4.340 -0.000 0.000 0.266 140 R C 1.424 177.745 176.300 0.034 0.000 1.044 140 R CA -0.199 55.918 56.100 0.028 0.000 1.151 140 R CB 0.373 30.692 30.300 0.032 0.000 1.037 140 R HN 0.072 nan 8.270 nan 0.000 0.478 141 E N 1.878 122.091 120.200 0.022 0.000 2.130 141 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 141 E C 1.019 177.630 176.600 0.019 0.000 0.998 141 E CA 1.883 58.295 56.400 0.020 0.000 0.806 141 E CB -0.012 29.692 29.700 0.008 0.000 0.738 141 E HN 0.611 nan 8.360 nan 0.000 0.459 142 N N 0.427 119.139 118.700 0.019 0.000 2.463 142 N HA -0.091 4.649 4.740 -0.000 0.000 0.181 142 N C 0.360 175.878 175.510 0.014 0.000 1.078 142 N CA 0.204 53.263 53.050 0.015 0.000 0.902 142 N CB -0.208 38.287 38.487 0.014 0.000 0.970 142 N HN -0.026 nan 8.380 nan 0.000 0.451 143 Q N 1.165 120.978 119.800 0.021 0.000 2.392 143 Q HA 0.270 4.610 4.340 -0.000 0.000 0.262 143 Q C -2.176 173.821 176.000 -0.005 0.000 1.003 143 Q CA -1.409 54.398 55.803 0.006 0.000 0.888 143 Q CB -0.035 28.719 28.738 0.028 0.000 1.260 143 Q HN 0.229 nan 8.270 nan 0.000 0.435 144 P HA -0.047 nan 4.420 nan 0.000 0.268 144 P C 0.490 177.787 177.300 -0.006 0.000 1.204 144 P CA 0.162 63.249 63.100 -0.022 0.000 0.768 144 P CB 0.501 32.175 31.700 -0.043 0.000 0.842 145 E N 2.700 122.907 120.200 0.012 0.000 2.160 145 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 145 E C 1.544 178.168 176.600 0.040 0.000 0.991 145 E CA 1.243 57.661 56.400 0.031 0.000 0.810 145 E CB -0.208 29.511 29.700 0.032 0.000 0.742 145 E HN 0.280 nan 8.360 nan 0.000 0.466 146 M N 0.175 119.791 119.600 0.027 0.000 2.175 146 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 146 M C 1.916 178.240 176.300 0.040 0.000 1.063 146 M CA 1.066 56.391 55.300 0.041 0.000 1.119 146 M CB -0.219 32.395 32.600 0.024 0.000 1.377 146 M HN 0.302 nan 8.290 nan 0.000 0.415 147 L N -0.020 121.197 121.223 -0.011 0.000 2.093 147 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 147 L C 2.158 179.053 176.870 0.041 0.000 1.085 147 L CA 1.866 56.673 54.840 -0.056 0.000 0.755 147 L CB -0.792 41.139 42.059 -0.212 0.000 0.904 147 L HN 0.438 nan 8.230 nan 0.000 0.435 148 Q N -1.100 118.736 119.800 0.060 0.000 2.061 148 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 148 Q C 2.164 178.256 176.000 0.153 0.000 0.984 148 Q CA 1.928 57.795 55.803 0.107 0.000 0.846 148 Q CB -0.417 28.372 28.738 0.086 0.000 0.902 148 Q HN 0.480 nan 8.270 nan 0.000 0.421 149 L N 1.177 122.490 121.223 0.151 0.000 1.976 149 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 149 L C 2.027 179.084 176.870 0.312 0.000 1.071 149 L CA 1.896 56.860 54.840 0.208 0.000 0.746 149 L CB -0.513 41.656 42.059 0.182 0.000 0.890 149 L HN 0.091 nan 8.230 nan 0.000 0.432 150 E N 0.157 120.516 120.200 0.266 0.000 2.118 150 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 150 E C 2.162 178.918 176.600 0.259 0.000 0.992 150 E CA 1.437 57.992 56.400 0.259 0.000 0.804 150 E CB -0.535 29.249 29.700 0.140 0.000 0.741 150 E HN 0.668 nan 8.360 nan 0.000 0.458 151 A N 1.342 124.309 122.820 0.244 0.000 1.898 151 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 151 A C 2.421 180.154 177.584 0.248 0.000 1.181 151 A CA 1.810 53.991 52.037 0.239 0.000 0.620 151 A CB -0.491 18.673 19.000 0.273 0.000 0.819 151 A HN 0.263 nan 8.150 nan 0.000 0.442 152 A N -1.383 121.613 122.820 0.293 0.000 1.902 152 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 152 A C 2.025 179.899 177.584 0.484 0.000 1.181 152 A CA 1.518 53.805 52.037 0.416 0.000 0.623 152 A CB -0.823 18.428 19.000 0.418 0.000 0.818 152 A HN 0.790 nan 8.150 nan 0.000 0.443 153 W N 0.847 122.269 121.300 0.202 0.000 2.333 153 W HA -0.185 4.475 4.660 -0.000 0.000 0.316 153 W C 2.553 179.175 176.519 0.171 0.000 1.215 153 W CA 1.822 59.267 57.345 0.168 0.000 1.278 153 W CB -0.908 28.628 29.460 0.126 0.000 1.154 153 W HN 0.411 nan 8.180 nan 0.000 0.486 154 A N 0.395 123.434 122.820 0.365 0.000 1.883 154 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 154 A C 2.307 180.031 177.584 0.233 0.000 1.186 154 A CA 2.114 54.279 52.037 0.213 0.000 0.624 154 A CB -1.176 17.915 19.000 0.151 0.000 0.822 154 A HN 0.331 nan 8.150 nan 0.000 0.444 155 L N -0.907 120.471 121.223 0.259 0.000 2.141 155 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 155 L C 2.645 179.708 176.870 0.323 0.000 1.094 155 L CA 1.504 56.500 54.840 0.260 0.000 0.763 155 L CB -0.651 41.559 42.059 0.251 0.000 0.908 155 L HN 0.339 nan 8.230 nan 0.000 0.437 156 T N -0.666 114.105 114.554 0.361 0.000 2.867 156 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 156 T C 1.690 176.521 174.700 0.219 0.000 1.057 156 T CA 1.006 63.242 62.100 0.227 0.000 1.136 156 T CB -0.175 68.826 68.868 0.222 0.000 0.874 156 T HN 0.307 nan 8.240 nan 0.000 0.466 157 N N 1.215 120.089 118.700 0.289 0.000 2.244 157 N HA 0.061 4.801 4.740 -0.000 0.000 0.183 157 N C 1.826 177.436 175.510 0.166 0.000 1.016 157 N CA 0.827 54.026 53.050 0.249 0.000 0.866 157 N CB -0.224 38.408 38.487 0.242 0.000 0.980 157 N HN 0.414 nan 8.380 nan 0.000 0.430 158 I N 0.894 121.555 120.570 0.152 0.000 2.233 158 I HA -0.125 4.045 4.170 -0.000 0.000 0.243 158 I C 2.263 178.433 176.117 0.088 0.000 1.093 158 I CA 0.679 62.046 61.300 0.112 0.000 1.380 158 I CB -0.313 37.748 38.000 0.102 0.000 1.067 158 I HN 0.014 nan 8.210 nan 0.000 0.413 159 A N 0.751 123.624 122.820 0.089 0.000 2.019 159 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 159 A C 2.237 179.799 177.584 -0.037 0.000 1.164 159 A CA 1.851 53.911 52.037 0.038 0.000 0.644 159 A CB -0.612 18.411 19.000 0.039 0.000 0.805 159 A HN 0.527 nan 8.150 nan 0.000 0.449 160 S N -0.931 114.738 115.700 -0.052 0.000 2.634 160 S HA 0.408 4.878 4.470 -0.000 0.000 0.221 160 S C 1.041 175.646 174.600 0.008 0.000 0.952 160 S CA 0.142 58.276 58.200 -0.111 0.000 0.930 160 S CB -0.314 62.810 63.200 -0.127 0.000 0.780 160 S HN 0.601 nan 8.310 nan 0.000 0.498 161 G N 1.924 110.746 108.800 0.037 0.000 2.666 161 G HA2 0.454 4.414 3.960 -0.000 0.000 0.207 161 G HA3 0.454 4.414 3.960 -0.000 0.000 0.207 161 G C 0.256 175.182 174.900 0.042 0.000 1.481 161 G CA -0.030 45.102 45.100 0.054 0.000 1.071 161 G HN 0.501 nan 8.290 nan 0.000 0.572 162 T N -2.417 112.164 114.554 0.044 0.000 2.748 162 T HA 0.204 4.554 4.350 -0.000 0.000 0.304 162 T C 1.684 176.409 174.700 0.041 0.000 1.041 162 T CA 0.628 62.750 62.100 0.037 0.000 1.033 162 T CB 1.127 70.015 68.868 0.033 0.000 0.995 162 T HN 0.482 nan 8.240 nan 0.000 0.536 163 S N 0.682 116.400 115.700 0.031 0.000 2.370 163 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 163 S C 2.364 176.997 174.600 0.055 0.000 1.033 163 S CA 1.419 59.641 58.200 0.037 0.000 1.011 163 S CB -1.247 61.950 63.200 -0.005 0.000 0.852 163 S HN 0.927 nan 8.310 nan 0.000 0.457 164 A N 0.711 123.553 122.820 0.037 0.000 1.933 164 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 164 A C 2.137 179.753 177.584 0.054 0.000 1.175 164 A CA 1.674 53.734 52.037 0.039 0.000 0.628 164 A CB -0.634 18.381 19.000 0.025 0.000 0.814 164 A HN 0.760 nan 8.150 nan 0.000 0.444 165 Q N -1.143 118.690 119.800 0.054 0.000 2.137 165 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 165 Q C 2.091 178.133 176.000 0.070 0.000 0.960 165 Q CA 1.606 57.444 55.803 0.057 0.000 0.847 165 Q CB -0.386 28.385 28.738 0.055 0.000 0.915 165 Q HN 0.628 nan 8.270 nan 0.000 0.448 166 T N 1.699 116.304 114.554 0.086 0.000 2.759 166 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 166 T C 1.705 176.483 174.700 0.129 0.000 1.042 166 T CA 1.518 63.681 62.100 0.105 0.000 1.140 166 T CB -0.142 68.812 68.868 0.143 0.000 0.864 166 T HN 0.264 nan 8.240 nan 0.000 0.455 167 K N 0.917 121.422 120.400 0.176 0.000 2.103 167 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 167 K C 2.153 178.801 176.600 0.081 0.000 1.048 167 K CA 1.079 57.481 56.287 0.192 0.000 0.930 167 K CB -0.314 32.283 32.500 0.162 0.000 0.716 167 K HN 0.157 nan 8.250 nan 0.000 0.444 168 V N 0.809 120.758 119.914 0.057 0.000 2.407 168 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 168 V C 2.282 178.383 176.094 0.010 0.000 1.055 168 V CA 1.545 63.861 62.300 0.026 0.000 1.049 168 V CB -0.077 31.760 31.823 0.024 0.000 0.662 168 V HN 0.196 nan 8.190 nan 0.000 0.455 169 V N -0.705 119.224 119.914 0.025 0.000 2.407 169 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 169 V C 2.383 178.474 176.094 -0.004 0.000 1.041 169 V CA 1.529 63.843 62.300 0.023 0.000 1.040 169 V CB -0.225 31.651 31.823 0.088 0.000 0.671 169 V HN 0.390 nan 8.190 nan 0.000 0.455 170 V N 0.376 120.266 119.914 -0.040 0.000 2.343 170 V HA -0.249 3.870 4.120 -0.000 0.000 0.247 170 V C 2.168 178.207 176.094 -0.090 0.000 1.051 170 V CA 2.125 64.354 62.300 -0.119 0.000 1.036 170 V CB -0.679 30.886 31.823 -0.430 0.000 0.654 170 V HN 0.569 nan 8.190 nan 0.000 0.451 171 D N 0.376 120.741 120.400 -0.059 0.000 2.310 171 D HA -0.021 4.619 4.640 -0.000 0.000 0.212 171 D C 1.839 178.110 176.300 -0.047 0.000 0.965 171 D CA 1.258 55.227 54.000 -0.051 0.000 0.879 171 D CB 0.001 40.788 40.800 -0.023 0.000 0.921 171 D HN 0.491 nan 8.370 nan 0.000 0.510 172 A N 0.528 123.320 122.820 -0.047 0.000 2.278 172 A HA 0.041 4.361 4.320 -0.000 0.000 0.212 172 A C 0.058 177.605 177.584 -0.062 0.000 1.213 172 A CA 0.027 52.029 52.037 -0.059 0.000 0.840 172 A CB 0.133 19.090 19.000 -0.072 0.000 0.866 172 A HN -0.062 nan 8.150 nan 0.000 0.489 173 D N -2.773 117.604 120.400 -0.038 0.000 3.017 173 D HA -0.203 4.437 4.640 -0.000 0.000 0.220 173 D C 0.996 177.267 176.300 -0.049 0.000 1.141 173 D CA 1.071 55.063 54.000 -0.013 0.000 0.848 173 D CB -1.526 39.259 40.800 -0.024 0.000 1.102 173 D HN 0.543 nan 8.370 nan 0.000 0.427 174 A N -0.328 122.441 122.820 -0.086 0.000 1.897 174 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 174 A C 2.416 179.883 177.584 -0.194 0.000 1.181 174 A CA 1.548 53.436 52.037 -0.248 0.000 0.620 174 A CB -0.289 18.525 19.000 -0.310 0.000 0.821 174 A HN 0.235 nan 8.150 nan 0.000 0.443 175 V N 1.459 121.401 119.914 0.048 0.000 2.233 175 V HA -0.244 3.876 4.120 -0.000 0.000 0.252 175 V C 0.035 176.149 176.094 0.033 0.000 1.063 175 V CA 2.773 65.139 62.300 0.111 0.000 1.032 175 V CB -1.736 30.087 31.823 0.001 0.000 0.645 175 V HN 0.492 nan 8.190 nan 0.000 0.446 176 P HA -0.153 nan 4.420 nan 0.000 0.219 176 P C 1.742 179.051 177.300 0.015 0.000 1.146 176 P CA 1.586 64.679 63.100 -0.012 0.000 0.808 176 P CB -0.051 31.646 31.700 -0.004 0.000 0.779 177 L N -2.804 118.399 121.223 -0.033 0.000 2.209 177 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 177 L C 2.598 179.485 176.870 0.029 0.000 1.094 177 L CA 0.803 55.615 54.840 -0.045 0.000 0.790 177 L CB -0.863 41.110 42.059 -0.144 0.000 0.932 177 L HN -0.165 nan 8.230 nan 0.000 0.447 178 F N 0.617 120.580 119.950 0.021 0.000 2.186 178 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 178 F C 2.357 178.169 175.800 0.020 0.000 1.090 178 F CA 1.094 59.107 58.000 0.021 0.000 1.307 178 F CB -0.498 38.504 39.000 0.003 0.000 1.019 178 F HN -0.060 nan 8.300 nan 0.000 0.489 179 I N -0.022 120.675 120.570 0.211 0.000 2.252 179 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 179 I C 2.458 178.702 176.117 0.211 0.000 1.102 179 I CA 1.372 62.754 61.300 0.136 0.000 1.385 179 I CB -0.659 37.394 38.000 0.087 0.000 1.064 179 I HN 0.226 nan 8.210 nan 0.000 0.414 180 Q N 0.922 120.848 119.800 0.211 0.000 2.230 180 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 180 Q C 2.161 178.307 176.000 0.243 0.000 0.963 180 Q CA 1.159 57.118 55.803 0.261 0.000 0.866 180 Q CB -0.352 28.453 28.738 0.112 0.000 0.931 180 Q HN 0.497 nan 8.270 nan 0.000 0.452 181 L N 0.536 121.868 121.223 0.181 0.000 2.201 181 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 181 L C 2.293 179.245 176.870 0.136 0.000 1.105 181 L CA 0.606 55.540 54.840 0.155 0.000 0.775 181 L CB -0.234 41.928 42.059 0.173 0.000 0.913 181 L HN 0.302 nan 8.230 nan 0.000 0.440 182 L N -1.588 119.703 121.223 0.113 0.000 2.362 182 L HA -0.228 4.112 4.340 -0.000 0.000 0.219 182 L C 2.180 179.029 176.870 -0.035 0.000 1.134 182 L CA 1.222 56.061 54.840 -0.001 0.000 0.807 182 L CB -0.240 41.765 42.059 -0.091 0.000 0.927 182 L HN 0.255 nan 8.230 nan 0.000 0.447 183 Y N -0.643 119.672 120.300 0.026 0.000 2.190 183 Y HA -0.164 4.386 4.550 -0.000 0.000 0.290 183 Y C 3.006 178.916 175.900 0.016 0.000 1.115 183 Y CA 1.646 59.757 58.100 0.018 0.000 1.107 183 Y CB -0.697 37.773 38.460 0.017 0.000 1.033 183 Y HN 0.155 nan 8.280 nan 0.000 0.502 184 T N -1.652 113.034 114.554 0.220 0.000 2.904 184 T HA 0.094 4.444 4.350 -0.000 0.000 0.267 184 T C 1.396 176.145 174.700 0.081 0.000 1.059 184 T CA 0.493 62.664 62.100 0.118 0.000 1.137 184 T CB -1.108 67.812 68.868 0.087 0.000 0.879 184 T HN 0.244 nan 8.240 nan 0.000 0.467 185 G N 1.955 110.805 108.800 0.083 0.000 2.690 185 G HA2 0.374 4.334 3.960 -0.000 0.000 0.239 185 G HA3 0.374 4.334 3.960 -0.000 0.000 0.239 185 G C 0.254 175.176 174.900 0.037 0.000 1.233 185 G CA -0.049 45.087 45.100 0.060 0.000 0.847 185 G HN 0.751 nan 8.290 nan 0.000 0.588 186 S N -0.442 115.275 115.700 0.028 0.000 2.617 186 S HA 0.134 4.604 4.470 -0.000 0.000 0.259 186 S C 1.574 176.170 174.600 -0.007 0.000 1.301 186 S CA -0.204 58.003 58.200 0.011 0.000 0.984 186 S CB 1.269 64.476 63.200 0.012 0.000 0.954 186 S HN 0.460 nan 8.310 nan 0.000 0.572 187 V N 1.444 121.344 119.914 -0.022 0.000 2.332 187 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 187 V C 2.689 178.745 176.094 -0.065 0.000 1.055 187 V CA 2.333 64.606 62.300 -0.046 0.000 1.038 187 V CB -1.378 30.414 31.823 -0.051 0.000 0.651 187 V HN 0.885 nan 8.190 nan 0.000 0.450 188 E N -0.060 120.103 120.200 -0.062 0.000 2.058 188 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 188 E C 2.259 178.805 176.600 -0.089 0.000 0.997 188 E CA 1.659 57.999 56.400 -0.099 0.000 0.801 188 E CB -0.285 29.374 29.700 -0.069 0.000 0.746 188 E HN 0.480 nan 8.360 nan 0.000 0.450 189 V N 1.546 121.447 119.914 -0.023 0.000 2.358 189 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 189 V C 2.107 178.208 176.094 0.012 0.000 1.047 189 V CA 1.746 64.060 62.300 0.023 0.000 1.035 189 V CB -0.399 31.460 31.823 0.061 0.000 0.658 189 V HN 0.191 nan 8.190 nan 0.000 0.452 190 K N -0.017 120.375 120.400 -0.012 0.000 2.057 190 K HA -0.212 4.108 4.320 -0.000 0.000 0.207 190 K C 2.136 178.703 176.600 -0.054 0.000 1.049 190 K CA 1.784 58.054 56.287 -0.027 0.000 0.931 190 K CB -0.234 32.238 32.500 -0.047 0.000 0.714 190 K HN 0.576 nan 8.250 nan 0.000 0.440 191 E N 0.546 120.693 120.200 -0.088 0.000 2.085 191 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 191 E C 2.237 178.783 176.600 -0.091 0.000 0.994 191 E CA 1.015 57.344 56.400 -0.117 0.000 0.801 191 E CB 0.044 29.634 29.700 -0.183 0.000 0.743 191 E HN 0.257 nan 8.360 nan 0.000 0.453 192 Q N 0.212 119.951 119.800 -0.101 0.000 2.016 192 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 192 Q C 2.313 178.272 176.000 -0.067 0.000 0.978 192 Q CA 1.421 57.192 55.803 -0.053 0.000 0.833 192 Q CB -0.582 28.146 28.738 -0.016 0.000 0.895 192 Q HN 0.273 nan 8.270 nan 0.000 0.427 193 A N 0.877 123.659 122.820 -0.063 0.000 1.917 193 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 193 A C 2.113 179.575 177.584 -0.203 0.000 1.182 193 A CA 1.629 53.563 52.037 -0.171 0.000 0.633 193 A CB -0.647 18.388 19.000 0.059 0.000 0.819 193 A HN 0.339 nan 8.150 nan 0.000 0.448 194 I N -1.590 118.943 120.570 -0.063 0.000 2.439 194 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 194 I C 2.120 178.311 176.117 0.123 0.000 1.139 194 I CA 0.783 62.083 61.300 0.001 0.000 1.438 194 I CB -0.324 37.682 38.000 0.011 0.000 1.085 194 I HN 0.655 nan 8.210 nan 0.000 0.427 195 W N 0.818 122.057 121.300 -0.102 0.000 2.418 195 W HA -0.153 4.507 4.660 -0.000 0.000 0.292 195 W C 2.178 178.664 176.519 -0.055 0.000 1.213 195 W CA 1.037 58.360 57.345 -0.036 0.000 1.283 195 W CB 0.010 29.406 29.460 -0.107 0.000 1.119 195 W HN 0.231 nan 8.180 nan 0.000 0.542 196 A N 1.134 123.791 122.820 -0.272 0.000 1.877 196 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 196 A C 2.062 179.408 177.584 -0.396 0.000 1.186 196 A CA 1.641 53.360 52.037 -0.531 0.000 0.620 196 A CB -1.193 17.101 19.000 -1.176 0.000 0.822 196 A HN 0.352 nan 8.150 nan 0.000 0.443 197 L N -0.643 120.383 121.223 -0.328 0.000 2.083 197 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 197 L C 2.805 179.600 176.870 -0.126 0.000 1.083 197 L CA 1.054 55.789 54.840 -0.175 0.000 0.752 197 L CB -0.793 41.194 42.059 -0.119 0.000 0.899 197 L HN 0.506 nan 8.230 nan 0.000 0.433 198 G N -0.384 108.377 108.800 -0.064 0.000 2.418 198 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 198 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 198 G C 1.419 176.187 174.900 -0.221 0.000 1.158 198 G CA 0.555 45.582 45.100 -0.122 0.000 0.771 198 G HN 0.337 nan 8.290 nan 0.000 0.545 199 N N 0.243 118.849 118.700 -0.157 0.000 2.188 199 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 199 N C 2.343 177.801 175.510 -0.086 0.000 1.018 199 N CA 1.143 54.094 53.050 -0.165 0.000 0.858 199 N CB -0.043 38.225 38.487 -0.365 0.000 0.989 199 N HN 0.184 nan 8.380 nan 0.000 0.426 200 V N 1.825 121.690 119.914 -0.082 0.000 2.307 200 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 200 V C 2.509 178.645 176.094 0.070 0.000 1.045 200 V CA 1.794 64.100 62.300 0.010 0.000 1.024 200 V CB -0.847 30.943 31.823 -0.056 0.000 0.651 200 V HN 0.258 nan 8.190 nan 0.000 0.449 201 A N 0.474 123.273 122.820 -0.034 0.000 1.933 201 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 201 A C 2.253 179.784 177.584 -0.088 0.000 1.175 201 A CA 1.852 53.860 52.037 -0.048 0.000 0.628 201 A CB -0.967 17.961 19.000 -0.121 0.000 0.814 201 A HN 0.568 nan 8.150 nan 0.000 0.444 202 G N -0.963 107.741 108.800 -0.158 0.000 2.920 202 G HA2 0.002 3.962 3.960 -0.000 0.000 0.208 202 G HA3 0.002 3.962 3.960 -0.000 0.000 0.208 202 G C 0.983 175.839 174.900 -0.075 0.000 1.159 202 G CA 1.003 46.000 45.100 -0.171 0.000 0.784 202 G HN 0.594 nan 8.290 nan 0.000 0.535 203 D N 0.404 120.802 120.400 -0.002 0.000 2.097 203 D HA -0.018 4.622 4.640 -0.000 0.000 0.197 203 D C 1.408 177.657 176.300 -0.084 0.000 0.984 203 D CA 1.583 55.586 54.000 0.005 0.000 0.826 203 D CB 0.225 41.119 40.800 0.157 0.000 0.973 203 D HN 0.378 nan 8.370 nan 0.000 0.460 204 S N -3.617 112.030 115.700 -0.088 0.000 2.643 204 S HA 0.181 4.651 4.470 -0.000 0.000 0.266 204 S C 0.771 175.325 174.600 -0.077 0.000 1.130 204 S CA -0.151 57.970 58.200 -0.132 0.000 0.817 204 S CB 0.620 63.671 63.200 -0.248 0.000 1.107 204 S HN 0.102 nan 8.310 nan 0.000 0.471 205 T N -1.693 112.815 114.554 -0.076 0.000 2.915 205 T HA -0.013 4.337 4.350 -0.000 0.000 0.269 205 T C 0.879 175.582 174.700 0.005 0.000 1.071 205 T CA 1.762 63.840 62.100 -0.037 0.000 1.132 205 T CB -0.771 68.072 68.868 -0.041 0.000 0.878 205 T HN 0.518 nan 8.240 nan 0.000 0.479 206 D N 0.514 120.900 120.400 -0.024 0.000 2.097 206 D HA -0.032 4.608 4.640 -0.000 0.000 0.197 206 D C 1.751 178.186 176.300 0.225 0.000 0.984 206 D CA 1.020 55.042 54.000 0.038 0.000 0.826 206 D CB -0.390 40.375 40.800 -0.058 0.000 0.973 206 D HN 0.371 nan 8.370 nan 0.000 0.460 207 Y N 0.882 121.205 120.300 0.038 0.000 2.314 207 Y HA 0.026 4.576 4.550 -0.000 0.000 0.293 207 Y C 2.386 178.337 175.900 0.084 0.000 1.129 207 Y CA 0.383 58.541 58.100 0.097 0.000 1.201 207 Y CB -0.570 37.924 38.460 0.057 0.000 0.999 207 Y HN -0.046 nan 8.280 nan 0.000 0.541 208 R N 0.615 121.222 120.500 0.178 0.000 2.070 208 R HA -0.162 4.178 4.340 -0.000 0.000 0.233 208 R C 1.511 177.857 176.300 0.078 0.000 1.137 208 R CA 2.025 58.168 56.100 0.071 0.000 0.945 208 R CB -0.167 30.139 30.300 0.009 0.000 0.845 208 R HN 0.212 nan 8.270 nan 0.000 0.430 209 D N -0.367 120.094 120.400 0.103 0.000 2.144 209 D HA -0.194 4.446 4.640 -0.000 0.000 0.199 209 D C 1.674 178.060 176.300 0.145 0.000 0.984 209 D CA 1.012 55.072 54.000 0.100 0.000 0.834 209 D CB -0.495 40.361 40.800 0.092 0.000 0.955 209 D HN 0.296 nan 8.370 nan 0.000 0.465 210 Y N 2.089 122.423 120.300 0.058 0.000 2.145 210 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 210 Y C 2.191 178.102 175.900 0.019 0.000 1.145 210 Y CA 0.905 59.030 58.100 0.042 0.000 1.148 210 Y CB -0.558 37.934 38.460 0.053 0.000 0.981 210 Y HN -0.211 nan 8.280 nan 0.000 0.507 211 V N 0.487 120.341 119.914 -0.099 0.000 2.343 211 V HA -0.321 3.799 4.120 -0.000 0.000 0.247 211 V C 2.577 178.591 176.094 -0.134 0.000 1.051 211 V CA 2.070 64.246 62.300 -0.205 0.000 1.036 211 V CB -0.814 30.952 31.823 -0.094 0.000 0.654 211 V HN 0.433 nan 8.190 nan 0.000 0.451 212 L N -0.822 120.368 121.223 -0.056 0.000 2.093 212 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 212 L C 2.636 179.485 176.870 -0.035 0.000 1.085 212 L CA 1.249 56.067 54.840 -0.036 0.000 0.755 212 L CB -0.489 41.565 42.059 -0.008 0.000 0.904 212 L HN 0.295 nan 8.230 nan 0.000 0.435 213 Q N -0.741 119.045 119.800 -0.023 0.000 2.224 213 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 213 Q C 2.076 178.051 176.000 -0.042 0.000 0.970 213 Q CA 1.145 56.947 55.803 -0.003 0.000 0.865 213 Q CB -0.511 28.263 28.738 0.060 0.000 0.922 213 Q HN 0.475 nan 8.270 nan 0.000 0.445 214 C N 1.062 120.281 119.300 -0.136 0.000 2.546 214 C HA 0.100 4.560 4.460 -0.000 0.000 0.275 214 C C 0.039 174.990 174.990 -0.065 0.000 1.393 214 C CA -0.219 58.711 59.018 -0.148 0.000 1.703 214 C CB -1.654 25.894 27.740 -0.321 0.000 1.710 214 C HN 0.530 nan 8.230 nan 0.000 0.581 215 N N -0.274 118.402 118.700 -0.040 0.000 2.756 215 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 215 N C 0.654 176.165 175.510 0.002 0.000 1.062 215 N CA 0.902 53.951 53.050 -0.003 0.000 0.696 215 N CB -1.132 37.375 38.487 0.032 0.000 0.946 215 N HN 0.667 nan 8.380 nan 0.000 0.548 216 A N -0.337 122.461 122.820 -0.037 0.000 2.067 216 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 216 A C 2.217 179.770 177.584 -0.052 0.000 1.156 216 A CA 1.269 53.277 52.037 -0.048 0.000 0.683 216 A CB -0.069 18.891 19.000 -0.066 0.000 0.808 216 A HN 0.325 nan 8.150 nan 0.000 0.455 217 M N 0.306 119.884 119.600 -0.037 0.000 2.149 217 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 217 M C 1.718 177.999 176.300 -0.031 0.000 1.064 217 M CA 2.072 57.354 55.300 -0.030 0.000 1.102 217 M CB -0.442 32.137 32.600 -0.036 0.000 1.369 217 M HN 0.570 nan 8.290 nan 0.000 0.408 218 E N -0.070 120.113 120.200 -0.028 0.000 2.017 218 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 218 E C -0.858 175.661 176.600 -0.135 0.000 0.997 218 E CA 1.673 58.059 56.400 -0.023 0.000 0.804 218 E CB -0.877 28.871 29.700 0.079 0.000 0.757 218 E HN 0.408 nan 8.360 nan 0.000 0.448 219 P HA -0.109 nan 4.420 nan 0.000 0.223 219 P C 1.415 178.563 177.300 -0.253 0.000 1.151 219 P CA 1.058 63.801 63.100 -0.595 0.000 0.787 219 P CB -0.017 30.994 31.700 -1.148 0.000 0.788 220 I N -0.342 120.151 120.570 -0.128 0.000 2.233 220 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 220 I C 2.615 178.826 176.117 0.157 0.000 1.093 220 I CA 1.086 62.380 61.300 -0.010 0.000 1.380 220 I CB -0.589 37.432 38.000 0.034 0.000 1.067 220 I HN -0.153 nan 8.210 nan 0.000 0.413 221 L N 0.528 121.855 121.223 0.174 0.000 2.191 221 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 221 L C 2.557 179.608 176.870 0.302 0.000 1.103 221 L CA 1.317 56.331 54.840 0.291 0.000 0.769 221 L CB -0.990 41.112 42.059 0.073 0.000 0.908 221 L HN 0.330 nan 8.230 nan 0.000 0.438 222 G N -0.069 108.789 108.800 0.097 0.000 2.471 222 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 222 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 222 G C 1.559 176.468 174.900 0.016 0.000 1.125 222 G CA 0.209 45.335 45.100 0.043 0.000 0.775 222 G HN 0.287 nan 8.290 nan 0.000 0.548 223 L N -0.702 120.485 121.223 -0.059 0.000 2.376 223 L HA 0.138 4.478 4.340 -0.000 0.000 0.219 223 L C 1.983 178.686 176.870 -0.277 0.000 1.133 223 L CA 0.212 54.923 54.840 -0.214 0.000 0.816 223 L CB -0.271 41.573 42.059 -0.359 0.000 0.933 223 L HN 0.116 nan 8.230 nan 0.000 0.449 224 F N -0.203 119.739 119.950 -0.014 0.000 2.748 224 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 224 F C 1.853 177.651 175.800 -0.003 0.000 1.154 224 F CA 0.453 58.452 58.000 -0.003 0.000 1.446 224 F CB -0.412 38.589 39.000 0.001 0.000 1.112 224 F HN 0.151 nan 8.300 nan 0.000 0.584 225 N N -0.108 118.660 118.700 0.113 0.000 2.336 225 N HA -0.004 4.736 4.740 -0.000 0.000 0.189 225 N C 0.813 176.340 175.510 0.028 0.000 1.113 225 N CA 0.333 53.426 53.050 0.071 0.000 0.858 225 N CB -0.022 38.498 38.487 0.056 0.000 0.970 225 N HN 0.236 nan 8.380 nan 0.000 0.471 226 S N -0.143 115.554 115.700 -0.004 0.000 2.661 226 S HA 0.226 4.696 4.470 -0.000 0.000 0.265 226 S C 0.429 175.021 174.600 -0.013 0.000 1.225 226 S CA -0.526 57.658 58.200 -0.026 0.000 0.986 226 S CB 1.329 64.487 63.200 -0.069 0.000 1.008 226 S HN 0.169 nan 8.310 nan 0.000 0.565 227 N N -0.541 118.148 118.700 -0.019 0.000 2.497 227 N HA 0.228 4.968 4.740 -0.000 0.000 0.284 227 N C -1.168 174.330 175.510 -0.021 0.000 1.459 227 N CA -0.056 52.989 53.050 -0.009 0.000 0.899 227 N CB 0.185 38.671 38.487 -0.003 0.000 1.316 227 N HN 0.543 nan 8.380 nan 0.000 0.500 228 K N 1.618 121.995 120.400 -0.038 0.000 2.425 228 K HA 0.334 4.654 4.320 -0.000 0.000 0.259 228 K C -1.777 174.791 176.600 -0.053 0.000 0.978 228 K CA -2.153 54.105 56.287 -0.048 0.000 0.883 228 K CB 1.540 34.003 32.500 -0.063 0.000 1.110 228 K HN -0.089 nan 8.250 nan 0.000 0.436 229 P HA -0.297 nan 4.420 nan 0.000 0.214 229 P C 1.132 178.401 177.300 -0.051 0.000 1.169 229 P CA 1.836 64.918 63.100 -0.030 0.000 0.908 229 P CB 0.094 31.781 31.700 -0.021 0.000 0.791 230 S N -0.038 115.618 115.700 -0.073 0.000 2.374 230 S HA -0.188 4.282 4.470 -0.000 0.000 0.227 230 S C 2.117 176.649 174.600 -0.114 0.000 1.037 230 S CA 1.491 59.630 58.200 -0.102 0.000 1.024 230 S CB -1.723 61.402 63.200 -0.126 0.000 0.861 230 S HN 0.055 nan 8.310 nan 0.000 0.456 231 L N 1.339 122.492 121.223 -0.117 0.000 2.056 231 L HA 0.088 4.428 4.340 -0.000 0.000 0.207 231 L C 2.217 178.988 176.870 -0.164 0.000 1.078 231 L CA 1.492 56.249 54.840 -0.137 0.000 0.749 231 L CB -0.684 41.291 42.059 -0.140 0.000 0.901 231 L HN 0.240 nan 8.230 nan 0.000 0.433 232 I N -0.281 120.194 120.570 -0.158 0.000 2.286 232 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 232 I C 2.651 178.742 176.117 -0.043 0.000 1.115 232 I CA 1.184 62.371 61.300 -0.187 0.000 1.392 232 I CB -1.239 36.730 38.000 -0.052 0.000 1.065 232 I HN 0.372 nan 8.210 nan 0.000 0.418 233 R N 0.303 120.799 120.500 -0.006 0.000 2.070 233 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 233 R C 2.252 178.620 176.300 0.113 0.000 1.138 233 R CA 2.117 58.250 56.100 0.055 0.000 0.936 233 R CB -0.899 29.398 30.300 -0.004 0.000 0.839 233 R HN 0.316 nan 8.270 nan 0.000 0.429 234 T N 1.188 115.772 114.554 0.049 0.000 2.759 234 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 234 T C 1.951 176.810 174.700 0.264 0.000 1.042 234 T CA 1.448 63.646 62.100 0.163 0.000 1.140 234 T CB -0.261 68.640 68.868 0.055 0.000 0.864 234 T HN 0.404 nan 8.240 nan 0.000 0.455 235 A N 1.332 124.198 122.820 0.076 0.000 1.933 235 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 235 A C 2.561 180.297 177.584 0.254 0.000 1.175 235 A CA 1.942 53.992 52.037 0.022 0.000 0.628 235 A CB -1.117 17.621 19.000 -0.436 0.000 0.814 235 A HN 0.482 nan 8.150 nan 0.000 0.444 236 T N -1.782 112.966 114.554 0.323 0.000 2.777 236 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 236 T C 1.491 176.391 174.700 0.333 0.000 1.040 236 T CA 1.336 63.675 62.100 0.398 0.000 1.141 236 T CB -0.344 68.732 68.868 0.348 0.000 0.868 236 T HN 0.749 nan 8.240 nan 0.000 0.444 237 W N 2.153 123.550 121.300 0.161 0.000 2.338 237 W HA -0.189 4.471 4.660 -0.000 0.000 0.304 237 W C 2.182 178.789 176.519 0.147 0.000 1.212 237 W CA 1.566 59.005 57.345 0.157 0.000 1.264 237 W CB -0.863 28.696 29.460 0.165 0.000 1.142 237 W HN 0.104 nan 8.180 nan 0.000 0.512 238 T N 1.344 115.989 114.554 0.152 0.000 2.746 238 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 238 T C 1.676 176.319 174.700 -0.095 0.000 1.039 238 T CA 1.623 63.667 62.100 -0.093 0.000 1.142 238 T CB -0.744 68.176 68.868 0.086 0.000 0.866 238 T HN 0.091 nan 8.240 nan 0.000 0.444 239 L N 1.079 122.333 121.223 0.052 0.000 2.083 239 L HA -0.023 4.317 4.340 -0.000 0.000 0.209 239 L C 2.646 179.538 176.870 0.036 0.000 1.083 239 L CA 1.564 56.441 54.840 0.062 0.000 0.752 239 L CB -0.942 41.198 42.059 0.135 0.000 0.899 239 L HN 0.185 nan 8.230 nan 0.000 0.433 240 S N -0.605 115.117 115.700 0.038 0.000 2.356 240 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 240 S C 1.870 176.486 174.600 0.026 0.000 1.032 240 S CA 1.534 59.803 58.200 0.115 0.000 1.005 240 S CB -0.322 62.958 63.200 0.132 0.000 0.867 240 S HN 0.594 nan 8.310 nan 0.000 0.449 241 N N 1.530 120.079 118.700 -0.250 0.000 2.149 241 N HA -0.011 4.729 4.740 -0.000 0.000 0.188 241 N C 1.687 177.087 175.510 -0.184 0.000 1.019 241 N CA 1.083 53.941 53.050 -0.319 0.000 0.857 241 N CB -0.637 37.526 38.487 -0.541 0.000 0.997 241 N HN 0.419 nan 8.380 nan 0.000 0.426 242 L N -0.353 120.797 121.223 -0.121 0.000 2.201 242 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 242 L C 1.739 178.599 176.870 -0.017 0.000 1.105 242 L CA 0.606 55.408 54.840 -0.063 0.000 0.775 242 L CB -0.134 41.899 42.059 -0.044 0.000 0.913 242 L HN 0.212 nan 8.230 nan 0.000 0.440 243 C N -1.331 117.992 119.300 0.037 0.000 2.563 243 C HA 0.070 4.530 4.460 -0.000 0.000 0.268 243 C C 1.693 176.725 174.990 0.069 0.000 1.365 243 C CA -0.571 58.516 59.018 0.115 0.000 1.754 243 C CB -0.794 27.079 27.740 0.221 0.000 1.932 243 C HN 0.294 nan 8.230 nan 0.000 0.536 244 R N 0.952 121.363 120.500 -0.148 0.000 2.582 244 R HA 0.477 4.817 4.340 -0.000 0.000 0.271 244 R C 0.046 176.166 176.300 -0.301 0.000 1.078 244 R CA 1.221 56.981 56.100 -0.566 0.000 1.127 244 R CB 0.214 29.996 30.300 -0.864 0.000 1.038 244 R HN 0.452 nan 8.270 nan 0.000 0.500 245 G N 2.082 110.704 108.800 -0.296 0.000 3.233 245 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 245 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 245 G C -0.430 174.425 174.900 -0.076 0.000 1.153 245 G CA -0.276 44.730 45.100 -0.157 0.000 0.853 245 G HN 0.669 nan 8.290 nan 0.000 0.582 246 K N 0.240 120.606 120.400 -0.057 0.000 2.464 246 K HA 0.194 4.514 4.320 -0.000 0.000 0.206 246 K C 2.219 178.808 176.600 -0.019 0.000 1.186 246 K CA -0.055 56.219 56.287 -0.022 0.000 0.990 246 K CB 0.037 32.531 32.500 -0.011 0.000 1.003 246 K HN 0.261 nan 8.250 nan 0.000 0.562 247 K N 1.149 121.531 120.400 -0.029 0.000 1.993 247 K HA 0.064 4.384 4.320 -0.000 0.000 0.220 247 K C -1.780 174.811 176.600 -0.015 0.000 1.028 247 K CA 0.794 57.067 56.287 -0.023 0.000 0.994 247 K CB -1.227 31.255 32.500 -0.030 0.000 0.788 247 K HN -0.031 nan 8.250 nan 0.000 0.445 248 P HA 0.145 nan 4.420 nan 0.000 0.276 248 P C -0.800 176.502 177.300 0.003 0.000 1.253 248 P CA -0.059 63.040 63.100 -0.002 0.000 0.766 248 P CB 0.893 32.592 31.700 -0.001 0.000 0.845 249 Q N 5.760 125.570 119.800 0.017 0.000 2.373 249 Q HA 0.246 4.586 4.340 -0.000 0.000 0.255 249 Q C -2.102 173.933 176.000 0.058 0.000 0.980 249 Q CA -1.787 54.038 55.803 0.036 0.000 0.882 249 Q CB 0.059 28.823 28.738 0.044 0.000 1.249 249 Q HN 0.322 nan 8.270 nan 0.000 0.438 250 P HA -0.036 nan 4.420 nan 0.000 0.271 250 P C -0.764 176.609 177.300 0.122 0.000 1.218 250 P CA -0.247 62.900 63.100 0.077 0.000 0.780 250 P CB 0.546 32.285 31.700 0.065 0.000 0.901 251 D N 2.513 122.968 120.400 0.093 0.000 2.536 251 D HA -0.147 4.493 4.640 -0.000 0.000 0.260 251 D C 1.133 177.516 176.300 0.137 0.000 1.270 251 D CA 0.169 54.233 54.000 0.107 0.000 0.934 251 D CB -0.004 40.831 40.800 0.059 0.000 1.129 251 D HN 0.466 nan 8.370 nan 0.000 0.533 252 W N 3.752 125.059 121.300 0.011 0.000 2.374 252 W HA -0.250 4.410 4.660 -0.000 0.000 0.288 252 W C 1.760 178.285 176.519 0.011 0.000 1.218 252 W CA 1.443 58.795 57.345 0.012 0.000 1.245 252 W CB -0.032 29.436 29.460 0.012 0.000 1.126 252 W HN 0.532 nan 8.180 nan 0.000 0.545 253 S N -0.115 115.574 115.700 -0.019 0.000 2.423 253 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 253 S C 1.597 176.090 174.600 -0.177 0.000 1.014 253 S CA 1.431 59.562 58.200 -0.114 0.000 0.965 253 S CB -0.674 62.527 63.200 0.002 0.000 0.785 253 S HN 0.070 nan 8.310 nan 0.000 0.495 254 V N 2.179 122.011 119.914 -0.137 0.000 2.341 254 V HA -0.036 4.084 4.120 -0.000 0.000 0.240 254 V C 2.765 178.744 176.094 -0.191 0.000 1.035 254 V CA 1.144 63.370 62.300 -0.124 0.000 1.033 254 V CB -0.757 31.032 31.823 -0.058 0.000 0.678 254 V HN 0.554 nan 8.190 nan 0.000 0.464 255 V N 0.590 120.386 119.914 -0.197 0.000 2.490 255 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 255 V C 2.500 178.348 176.094 -0.409 0.000 1.061 255 V CA 2.218 64.388 62.300 -0.217 0.000 1.064 255 V CB -1.484 30.286 31.823 -0.088 0.000 0.670 255 V HN 0.639 nan 8.190 nan 0.000 0.461 256 S N 0.178 115.403 115.700 -0.793 0.000 2.442 256 S HA -0.252 4.218 4.470 -0.000 0.000 0.236 256 S C 1.888 176.217 174.600 -0.452 0.000 1.007 256 S CA 1.529 59.152 58.200 -0.962 0.000 0.965 256 S CB -0.761 61.513 63.200 -1.543 0.000 0.773 256 S HN 0.753 nan 8.310 nan 0.000 0.504 257 Q N 0.615 120.219 119.800 -0.326 0.000 2.437 257 Q HA 0.161 4.501 4.340 -0.000 0.000 0.210 257 Q C 2.155 178.058 176.000 -0.162 0.000 0.972 257 Q CA 0.984 56.669 55.803 -0.196 0.000 0.903 257 Q CB -0.352 28.301 28.738 -0.143 0.000 0.967 257 Q HN 0.830 nan 8.270 nan 0.000 0.486 258 A N 0.147 122.860 122.820 -0.179 0.000 2.178 258 A HA 0.035 4.355 4.320 -0.000 0.000 0.211 258 A C 1.842 179.336 177.584 -0.151 0.000 1.157 258 A CA 0.069 52.011 52.037 -0.157 0.000 0.780 258 A CB -0.155 18.767 19.000 -0.130 0.000 0.828 258 A HN 0.252 nan 8.150 nan 0.000 0.476 259 L N -0.208 120.933 121.223 -0.136 0.000 1.990 259 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 259 L C -0.406 176.418 176.870 -0.077 0.000 1.072 259 L CA 1.867 56.656 54.840 -0.085 0.000 0.755 259 L CB -1.521 40.505 42.059 -0.055 0.000 0.889 259 L HN 0.226 nan 8.230 nan 0.000 0.432 260 P HA -0.148 nan 4.420 nan 0.000 0.215 260 P C 1.610 178.853 177.300 -0.095 0.000 1.157 260 P CA 1.557 64.616 63.100 -0.068 0.000 0.868 260 P CB -0.051 31.611 31.700 -0.064 0.000 0.788 261 T N -0.427 114.029 114.554 -0.163 0.000 2.746 261 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 261 T C 1.628 176.178 174.700 -0.250 0.000 1.039 261 T CA 0.911 62.849 62.100 -0.271 0.000 1.142 261 T CB -0.761 67.806 68.868 -0.501 0.000 0.866 261 T HN -0.072 nan 8.240 nan 0.000 0.444 262 L N 1.320 122.426 121.223 -0.195 0.000 2.046 262 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 262 L C 2.783 179.624 176.870 -0.049 0.000 1.077 262 L CA 1.439 56.205 54.840 -0.124 0.000 0.747 262 L CB -1.516 40.491 42.059 -0.087 0.000 0.896 262 L HN 0.249 nan 8.230 nan 0.000 0.432 263 A N -1.035 121.773 122.820 -0.021 0.000 2.024 263 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 263 A C 2.321 179.998 177.584 0.153 0.000 1.164 263 A CA 1.668 53.738 52.037 0.055 0.000 0.643 263 A CB -0.323 18.705 19.000 0.045 0.000 0.806 263 A HN 0.442 nan 8.150 nan 0.000 0.451 264 K N -0.647 119.803 120.400 0.084 0.000 2.128 264 K HA 0.208 4.528 4.320 -0.000 0.000 0.202 264 K C 1.720 178.427 176.600 0.178 0.000 1.050 264 K CA 0.675 57.045 56.287 0.138 0.000 0.966 264 K CB -0.254 32.262 32.500 0.027 0.000 0.759 264 K HN 0.395 nan 8.250 nan 0.000 0.454 265 L N 1.851 123.111 121.223 0.062 0.000 2.187 265 L HA -0.132 4.208 4.340 -0.000 0.000 0.213 265 L C 2.177 179.076 176.870 0.048 0.000 1.100 265 L CA 0.946 55.823 54.840 0.063 0.000 0.765 265 L CB -0.602 41.468 42.059 0.018 0.000 0.904 265 L HN 0.289 nan 8.230 nan 0.000 0.437 266 I N -4.563 116.006 120.570 -0.002 0.000 3.456 266 I HA -0.181 3.989 4.170 -0.000 0.000 0.291 266 I C 1.033 176.961 176.117 -0.315 0.000 1.307 266 I CA 0.896 62.106 61.300 -0.150 0.000 1.333 266 I CB -0.510 37.359 38.000 -0.217 0.000 1.032 266 I HN 0.111 nan 8.210 nan 0.000 0.506 267 Y N 0.606 120.909 120.300 0.005 0.000 2.531 267 Y HA 0.313 4.863 4.550 -0.000 0.000 0.249 267 Y C 1.612 177.527 175.900 0.025 0.000 1.168 267 Y CA -0.387 57.721 58.100 0.014 0.000 1.226 267 Y CB 0.210 38.674 38.460 0.007 0.000 1.177 267 Y HN 0.159 nan 8.280 nan 0.000 0.527 268 S N 0.236 116.005 115.700 0.116 0.000 2.579 268 S HA 0.060 4.530 4.470 -0.000 0.000 0.275 268 S C 1.332 175.980 174.600 0.080 0.000 1.345 268 S CA -0.256 58.002 58.200 0.097 0.000 1.031 268 S CB 0.555 63.805 63.200 0.084 0.000 0.892 268 S HN 0.269 nan 8.310 nan 0.000 0.529 269 M N 1.819 121.464 119.600 0.075 0.000 2.514 269 M HA 0.167 4.647 4.480 -0.000 0.000 0.258 269 M C 0.350 176.689 176.300 0.065 0.000 1.119 269 M CA 0.342 55.683 55.300 0.068 0.000 1.111 269 M CB -1.445 31.187 32.600 0.053 0.000 1.390 269 M HN 0.630 nan 8.290 nan 0.000 0.475 270 D N 0.909 121.344 120.400 0.057 0.000 2.325 270 D HA 0.104 4.744 4.640 -0.000 0.000 0.251 270 D C 0.900 177.227 176.300 0.045 0.000 1.196 270 D CA 0.331 54.359 54.000 0.047 0.000 0.866 270 D CB 1.313 42.139 40.800 0.042 0.000 1.101 270 D HN 0.018 nan 8.370 nan 0.000 0.476 271 T N 2.940 117.521 114.554 0.044 0.000 2.684 271 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 271 T C 1.535 176.243 174.700 0.012 0.000 1.036 271 T CA 1.108 63.220 62.100 0.021 0.000 1.148 271 T CB -0.130 68.761 68.868 0.039 0.000 0.863 271 T HN 0.521 nan 8.240 nan 0.000 0.436 272 E N 0.318 120.537 120.200 0.032 0.000 2.085 272 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 272 E C 2.471 179.120 176.600 0.083 0.000 0.994 272 E CA 1.455 57.887 56.400 0.053 0.000 0.801 272 E CB -0.153 29.567 29.700 0.033 0.000 0.743 272 E HN 0.409 nan 8.360 nan 0.000 0.453 273 T N 1.480 116.079 114.554 0.075 0.000 2.708 273 T HA -0.170 4.180 4.350 -0.000 0.000 0.266 273 T C 1.818 176.568 174.700 0.083 0.000 1.037 273 T CA 0.876 63.039 62.100 0.104 0.000 1.146 273 T CB -0.264 68.665 68.868 0.101 0.000 0.865 273 T HN 0.034 nan 8.240 nan 0.000 0.435 274 L N 1.239 122.482 121.223 0.032 0.000 2.017 274 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 274 L C 2.485 179.324 176.870 -0.051 0.000 1.073 274 L CA 1.462 56.285 54.840 -0.028 0.000 0.745 274 L CB -0.792 41.222 42.059 -0.075 0.000 0.894 274 L HN 0.078 nan 8.230 nan 0.000 0.432 275 V N -0.138 119.762 119.914 -0.024 0.000 2.233 275 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 275 V C 2.299 178.480 176.094 0.145 0.000 1.050 275 V CA 2.166 64.472 62.300 0.010 0.000 1.010 275 V CB -0.794 31.098 31.823 0.115 0.000 0.637 275 V HN 0.466 nan 8.190 nan 0.000 0.444 276 D N 0.109 120.654 120.400 0.242 0.000 2.144 276 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 276 D C 2.202 178.620 176.300 0.196 0.000 0.984 276 D CA 1.624 55.816 54.000 0.321 0.000 0.834 276 D CB -0.297 40.702 40.800 0.332 0.000 0.955 276 D HN 0.457 nan 8.370 nan 0.000 0.465 277 A N 0.442 123.323 122.820 0.103 0.000 1.902 277 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 277 A C 2.564 180.124 177.584 -0.039 0.000 1.181 277 A CA 1.276 53.334 52.037 0.034 0.000 0.623 277 A CB -0.924 18.081 19.000 0.009 0.000 0.818 277 A HN 0.342 nan 8.150 nan 0.000 0.443 278 C N -2.808 116.427 119.300 -0.109 0.000 2.425 278 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 278 C C 2.414 177.219 174.990 -0.308 0.000 1.280 278 C CA 0.503 59.379 59.018 -0.236 0.000 1.744 278 C CB -1.749 25.784 27.740 -0.345 0.000 1.989 278 C HN 0.824 nan 8.230 nan 0.000 0.491 279 W N 0.893 122.056 121.300 -0.228 0.000 2.379 279 W HA -0.079 4.581 4.660 -0.000 0.000 0.307 279 W C 2.684 178.735 176.519 -0.780 0.000 1.200 279 W CA 1.123 58.170 57.345 -0.496 0.000 1.297 279 W CB -0.558 28.705 29.460 -0.329 0.000 1.140 279 W HN 0.247 nan 8.180 nan 0.000 0.507 280 A N 0.359 123.121 122.820 -0.096 0.000 1.908 280 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 280 A C 1.818 179.398 177.584 -0.008 0.000 1.181 280 A CA 1.907 53.956 52.037 0.020 0.000 0.627 280 A CB -0.986 18.066 19.000 0.087 0.000 0.818 280 A HN 0.336 nan 8.150 nan 0.000 0.445 281 I N 0.496 121.029 120.570 -0.061 0.000 2.315 281 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 281 I C 2.853 178.954 176.117 -0.025 0.000 1.117 281 I CA 1.445 62.729 61.300 -0.026 0.000 1.404 281 I CB -0.290 37.676 38.000 -0.057 0.000 1.071 281 I HN 0.524 nan 8.210 nan 0.000 0.419 282 S N 0.593 116.213 115.700 -0.132 0.000 2.399 282 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 282 S C 2.047 176.709 174.600 0.105 0.000 1.022 282 S CA 0.971 59.133 58.200 -0.062 0.000 0.983 282 S CB -0.664 62.454 63.200 -0.136 0.000 0.803 282 S HN 0.361 nan 8.310 nan 0.000 0.480 283 Y N 1.923 122.319 120.300 0.160 0.000 2.200 283 Y HA 0.222 4.771 4.550 -0.000 0.000 0.290 283 Y C 2.342 178.324 175.900 0.136 0.000 1.137 283 Y CA -0.099 58.085 58.100 0.140 0.000 1.163 283 Y CB -0.998 37.538 38.460 0.127 0.000 0.988 283 Y HN 0.226 nan 8.280 nan 0.000 0.518 284 L N -1.024 120.382 121.223 0.304 0.000 2.141 284 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 284 L C 2.064 179.071 176.870 0.229 0.000 1.094 284 L CA 1.332 56.368 54.840 0.327 0.000 0.763 284 L CB -0.554 41.694 42.059 0.315 0.000 0.908 284 L HN 0.078 nan 8.230 nan 0.000 0.437 285 S N -0.192 115.600 115.700 0.154 0.000 2.561 285 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 285 S C 1.102 175.744 174.600 0.069 0.000 0.977 285 S CA 0.928 59.178 58.200 0.085 0.000 0.926 285 S CB -0.316 62.919 63.200 0.057 0.000 0.769 285 S HN 0.600 nan 8.310 nan 0.000 0.533 286 D N 1.025 121.491 120.400 0.110 0.000 2.328 286 D HA 0.176 4.816 4.640 -0.000 0.000 0.226 286 D C 0.965 177.283 176.300 0.031 0.000 1.066 286 D CA -0.039 54.019 54.000 0.096 0.000 0.861 286 D CB -0.342 40.545 40.800 0.145 0.000 0.912 286 D HN 0.255 nan 8.370 nan 0.000 0.521 287 G N 0.643 109.426 108.800 -0.029 0.000 2.509 287 G HA2 0.435 4.395 3.960 -0.000 0.000 0.269 287 G HA3 0.435 4.395 3.960 -0.000 0.000 0.269 287 G C -1.953 172.864 174.900 -0.139 0.000 1.416 287 G CA -1.053 43.981 45.100 -0.111 0.000 1.052 287 G HN 0.098 nan 8.290 nan 0.000 0.542 288 P HA 0.050 nan 4.420 nan 0.000 0.286 288 P C 0.459 177.650 177.300 -0.182 0.000 1.293 288 P CA -0.200 62.804 63.100 -0.160 0.000 0.770 288 P CB 0.840 32.440 31.700 -0.168 0.000 1.206 289 Q N -0.226 119.492 119.800 -0.137 0.000 2.112 289 Q HA -0.234 4.106 4.340 -0.000 0.000 0.206 289 Q C 1.927 177.839 176.000 -0.147 0.000 0.987 289 Q CA 2.024 57.757 55.803 -0.116 0.000 0.858 289 Q CB -0.162 28.526 28.738 -0.082 0.000 0.905 289 Q HN 0.411 nan 8.270 nan 0.000 0.420 290 E N 0.012 120.089 120.200 -0.204 0.000 2.051 290 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 290 E C 1.987 178.385 176.600 -0.337 0.000 0.991 290 E CA 1.001 57.263 56.400 -0.230 0.000 0.799 290 E CB -0.229 29.302 29.700 -0.281 0.000 0.748 290 E HN 0.503 nan 8.360 nan 0.000 0.449 291 A N 1.515 123.950 122.820 -0.643 0.000 1.865 291 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 291 A C 2.246 179.710 177.584 -0.199 0.000 1.191 291 A CA 1.313 52.858 52.037 -0.821 0.000 0.623 291 A CB -0.742 17.754 19.000 -0.841 0.000 0.826 291 A HN 0.148 nan 8.150 nan 0.000 0.444 292 I N -0.845 119.635 120.570 -0.150 0.000 2.264 292 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 292 I C 2.755 178.862 176.117 -0.017 0.000 1.111 292 I CA 1.823 63.090 61.300 -0.054 0.000 1.382 292 I CB -0.284 37.678 38.000 -0.064 0.000 1.060 292 I HN 0.393 nan 8.210 nan 0.000 0.418 293 Q N 1.117 120.900 119.800 -0.028 0.000 2.167 293 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 293 Q C 2.117 178.152 176.000 0.058 0.000 0.970 293 Q CA 1.882 57.688 55.803 0.006 0.000 0.855 293 Q CB -0.220 28.515 28.738 -0.005 0.000 0.911 293 Q HN 0.498 nan 8.270 nan 0.000 0.438 294 A N -0.883 122.010 122.820 0.121 0.000 1.968 294 A HA -0.050 4.269 4.320 -0.000 0.000 0.217 294 A C 2.147 179.824 177.584 0.155 0.000 1.169 294 A CA 1.305 53.464 52.037 0.204 0.000 0.638 294 A CB -0.436 18.846 19.000 0.471 0.000 0.812 294 A HN 0.249 nan 8.150 nan 0.000 0.446 295 V N 0.046 120.044 119.914 0.139 0.000 2.453 295 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 295 V C 2.340 178.465 176.094 0.051 0.000 1.048 295 V CA 1.755 64.111 62.300 0.094 0.000 1.049 295 V CB -0.572 31.298 31.823 0.079 0.000 0.672 295 V HN 0.565 nan 8.190 nan 0.000 0.457 296 I N 0.102 120.695 120.570 0.038 0.000 2.315 296 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 296 I C 2.216 178.348 176.117 0.025 0.000 1.117 296 I CA 1.337 62.650 61.300 0.020 0.000 1.404 296 I CB -0.392 37.613 38.000 0.008 0.000 1.071 296 I HN 0.309 nan 8.210 nan 0.000 0.419 297 D N 0.235 120.657 120.400 0.037 0.000 2.144 297 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 297 D C 1.918 178.236 176.300 0.029 0.000 0.984 297 D CA 1.075 55.095 54.000 0.033 0.000 0.834 297 D CB -0.196 40.630 40.800 0.044 0.000 0.955 297 D HN 0.152 nan 8.370 nan 0.000 0.465 298 V N 0.674 120.609 119.914 0.035 0.000 3.636 298 V HA 0.002 4.122 4.120 -0.000 0.000 0.279 298 V C -0.192 175.921 176.094 0.031 0.000 1.263 298 V CA 0.242 62.558 62.300 0.027 0.000 1.182 298 V CB -1.092 30.745 31.823 0.023 0.000 0.955 298 V HN 0.217 nan 8.190 nan 0.000 0.443 299 R N -0.795 119.723 120.500 0.030 0.000 3.416 299 R HA -0.223 4.117 4.340 -0.000 0.000 0.263 299 R C 0.879 177.206 176.300 0.045 0.000 1.053 299 R CA 1.187 57.307 56.100 0.034 0.000 0.705 299 R CB -2.430 27.891 30.300 0.035 0.000 1.124 299 R HN 0.515 nan 8.270 nan 0.000 0.444 300 I N -0.523 120.066 120.570 0.032 0.000 2.406 300 I HA -0.078 4.092 4.170 -0.000 0.000 0.249 300 I C -0.678 175.434 176.117 -0.008 0.000 1.122 300 I CA 0.362 61.672 61.300 0.017 0.000 1.431 300 I CB -0.645 37.359 38.000 0.006 0.000 1.087 300 I HN 0.143 nan 8.210 nan 0.000 0.424 301 P HA -0.268 nan 4.420 nan 0.000 0.217 301 P C 1.514 178.797 177.300 -0.029 0.000 1.162 301 P CA 1.590 64.675 63.100 -0.026 0.000 0.901 301 P CB 0.017 31.704 31.700 -0.021 0.000 0.793 302 K N -0.391 120.003 120.400 -0.009 0.000 2.103 302 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 302 K C 2.194 178.782 176.600 -0.020 0.000 1.048 302 K CA 1.523 57.807 56.287 -0.005 0.000 0.930 302 K CB -0.654 31.857 32.500 0.019 0.000 0.716 302 K HN -0.217 nan 8.250 nan 0.000 0.444 303 R N -0.033 120.449 120.500 -0.030 0.000 2.092 303 R HA 0.034 4.374 4.340 -0.000 0.000 0.231 303 R C 1.860 178.079 176.300 -0.136 0.000 1.119 303 R CA 1.060 57.088 56.100 -0.119 0.000 0.970 303 R CB -0.779 29.378 30.300 -0.238 0.000 0.864 303 R HN 0.202 nan 8.270 nan 0.000 0.440 304 L N -0.300 120.859 121.223 -0.106 0.000 2.042 304 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 304 L C 2.300 179.117 176.870 -0.089 0.000 1.076 304 L CA 1.392 56.167 54.840 -0.108 0.000 0.749 304 L CB -0.871 41.132 42.059 -0.094 0.000 0.893 304 L HN 0.021 nan 8.230 nan 0.000 0.432 305 V N -0.593 119.280 119.914 -0.068 0.000 2.295 305 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 305 V C 2.400 178.466 176.094 -0.047 0.000 1.049 305 V CA 1.737 64.004 62.300 -0.054 0.000 1.024 305 V CB -0.547 31.251 31.823 -0.042 0.000 0.648 305 V HN 0.497 nan 8.190 nan 0.000 0.447 306 E N 0.028 120.199 120.200 -0.048 0.000 2.118 306 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 306 E C 2.128 178.707 176.600 -0.036 0.000 0.992 306 E CA 1.177 57.554 56.400 -0.038 0.000 0.804 306 E CB -0.224 29.452 29.700 -0.039 0.000 0.741 306 E HN 0.508 nan 8.360 nan 0.000 0.458 307 L N 0.826 122.016 121.223 -0.055 0.000 2.376 307 L HA -0.106 4.234 4.340 -0.000 0.000 0.219 307 L C 2.157 179.022 176.870 -0.008 0.000 1.133 307 L CA 0.276 55.099 54.840 -0.028 0.000 0.816 307 L CB -0.215 41.788 42.059 -0.093 0.000 0.933 307 L HN 0.188 nan 8.230 nan 0.000 0.449 308 L N -0.428 120.777 121.223 -0.030 0.000 2.191 308 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 308 L C 2.253 179.124 176.870 0.002 0.000 1.103 308 L CA 1.354 56.179 54.840 -0.025 0.000 0.769 308 L CB -0.447 41.592 42.059 -0.034 0.000 0.908 308 L HN 0.381 nan 8.230 nan 0.000 0.438 309 S N -2.594 113.111 115.700 0.008 0.000 2.614 309 S HA 0.008 4.478 4.470 -0.000 0.000 0.230 309 S C 0.687 175.298 174.600 0.018 0.000 0.952 309 S CA -0.573 57.631 58.200 0.007 0.000 0.949 309 S CB -0.544 62.649 63.200 -0.012 0.000 0.786 309 S HN 0.322 nan 8.310 nan 0.000 0.478 310 H N 2.038 121.081 119.070 -0.044 0.000 2.815 310 H HA 0.147 4.703 4.556 -0.000 0.000 0.350 310 H C 0.690 176.002 175.328 -0.027 0.000 1.080 310 H CA 0.688 56.712 56.048 -0.040 0.000 1.433 310 H CB 0.962 30.692 29.762 -0.053 0.000 1.432 310 H HN 0.211 nan 8.280 nan 0.000 0.592 311 E N 1.961 122.059 120.200 -0.170 0.000 2.160 311 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 311 E C 0.603 177.286 176.600 0.139 0.000 0.991 311 E CA 0.839 57.225 56.400 -0.024 0.000 0.810 311 E CB 0.033 29.665 29.700 -0.114 0.000 0.742 311 E HN 0.321 nan 8.360 nan 0.000 0.466 312 S N -0.266 115.669 115.700 0.392 0.000 2.499 312 S HA 0.159 4.628 4.470 -0.000 0.000 0.279 312 S C 1.136 175.798 174.600 0.103 0.000 1.219 312 S CA -0.111 58.214 58.200 0.208 0.000 1.062 312 S CB 0.891 64.193 63.200 0.171 0.000 0.978 312 S HN 0.313 nan 8.310 nan 0.000 0.489 313 T N 3.602 118.191 114.554 0.059 0.000 3.072 313 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 313 T C 1.646 176.351 174.700 0.009 0.000 1.127 313 T CA 0.632 62.751 62.100 0.031 0.000 1.107 313 T CB -0.371 68.520 68.868 0.040 0.000 0.910 313 T HN 0.611 nan 8.240 nan 0.000 0.513 314 L N 0.302 121.533 121.223 0.012 0.000 2.291 314 L HA 0.056 4.396 4.340 -0.000 0.000 0.214 314 L C 2.582 179.403 176.870 -0.081 0.000 1.120 314 L CA 0.450 55.304 54.840 0.022 0.000 0.799 314 L CB -0.309 41.779 42.059 0.048 0.000 0.925 314 L HN 0.217 nan 8.230 nan 0.000 0.446 315 V N -0.929 118.879 119.914 -0.178 0.000 2.575 315 V HA -0.135 3.985 4.120 -0.000 0.000 0.242 315 V C 2.265 178.211 176.094 -0.248 0.000 1.045 315 V CA 0.987 63.099 62.300 -0.313 0.000 1.065 315 V CB -0.149 31.276 31.823 -0.662 0.000 0.717 315 V HN 0.405 nan 8.190 nan 0.000 0.467 316 Q N -0.057 119.658 119.800 -0.141 0.000 2.124 316 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 316 Q C 2.268 178.180 176.000 -0.145 0.000 0.977 316 Q CA 2.116 57.857 55.803 -0.103 0.000 0.850 316 Q CB -0.439 28.280 28.738 -0.031 0.000 0.901 316 Q HN 0.606 nan 8.270 nan 0.000 0.429 317 T N 1.973 116.434 114.554 -0.155 0.000 2.595 317 T HA -0.124 4.226 4.350 -0.000 0.000 0.264 317 T C -0.936 173.513 174.700 -0.418 0.000 1.058 317 T CA 1.692 63.686 62.100 -0.176 0.000 1.166 317 T CB -1.238 67.597 68.868 -0.056 0.000 0.863 317 T HN 0.320 nan 8.240 nan 0.000 0.415 318 P HA 0.027 nan 4.420 nan 0.000 0.218 318 P C 1.351 178.291 177.300 -0.599 0.000 1.149 318 P CA 1.297 63.662 63.100 -1.225 0.000 0.817 318 P CB -0.124 30.404 31.700 -1.954 0.000 0.785 319 A N 0.228 122.799 122.820 -0.414 0.000 1.898 319 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 319 A C 2.224 179.702 177.584 -0.177 0.000 1.181 319 A CA 1.413 53.295 52.037 -0.258 0.000 0.620 319 A CB -1.601 17.278 19.000 -0.202 0.000 0.819 319 A HN 0.180 nan 8.150 nan 0.000 0.442 320 L N -0.291 120.842 121.223 -0.149 0.000 2.093 320 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 320 L C 2.327 179.194 176.870 -0.006 0.000 1.085 320 L CA 2.341 57.142 54.840 -0.065 0.000 0.755 320 L CB -0.725 41.319 42.059 -0.025 0.000 0.904 320 L HN 0.385 nan 8.230 nan 0.000 0.435 321 R N 0.264 120.743 120.500 -0.035 0.000 2.083 321 R HA -0.092 4.248 4.340 -0.000 0.000 0.237 321 R C 2.192 178.543 176.300 0.085 0.000 1.137 321 R CA 1.857 58.014 56.100 0.096 0.000 0.951 321 R CB -0.986 29.297 30.300 -0.029 0.000 0.851 321 R HN 0.476 nan 8.270 nan 0.000 0.434 322 A N -0.326 122.460 122.820 -0.055 0.000 1.908 322 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 322 A C 2.368 179.924 177.584 -0.046 0.000 1.181 322 A CA 1.830 53.838 52.037 -0.048 0.000 0.627 322 A CB -0.785 18.149 19.000 -0.109 0.000 0.818 322 A HN 0.204 nan 8.150 nan 0.000 0.445 323 V N -0.110 119.759 119.914 -0.075 0.000 2.343 323 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 323 V C 2.818 178.810 176.094 -0.170 0.000 1.051 323 V CA 1.972 64.209 62.300 -0.105 0.000 1.036 323 V CB -1.428 30.333 31.823 -0.104 0.000 0.654 323 V HN 0.625 nan 8.190 nan 0.000 0.451 324 G N 0.239 108.921 108.800 -0.196 0.000 2.446 324 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 324 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 324 G C 1.429 176.043 174.900 -0.476 0.000 1.168 324 G CA 0.969 45.712 45.100 -0.595 0.000 0.771 324 G HN 0.522 nan 8.290 nan 0.000 0.551 325 N N 0.785 119.464 118.700 -0.035 0.000 2.120 325 N HA -0.064 4.676 4.740 -0.000 0.000 0.188 325 N C 2.252 177.733 175.510 -0.048 0.000 1.024 325 N CA 0.915 54.003 53.050 0.063 0.000 0.852 325 N CB -0.301 38.267 38.487 0.135 0.000 1.003 325 N HN 0.367 nan 8.380 nan 0.000 0.424 326 I N 0.990 121.515 120.570 -0.074 0.000 2.226 326 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 326 I C 1.939 177.987 176.117 -0.115 0.000 1.100 326 I CA 0.937 62.190 61.300 -0.078 0.000 1.374 326 I CB -0.347 37.612 38.000 -0.068 0.000 1.057 326 I HN -0.003 nan 8.210 nan 0.000 0.413 327 V N -1.627 118.180 119.914 -0.179 0.000 3.444 327 V HA -0.078 4.042 4.120 -0.000 0.000 0.271 327 V C 2.083 178.056 176.094 -0.202 0.000 1.188 327 V CA 1.486 63.669 62.300 -0.195 0.000 1.168 327 V CB -1.734 29.943 31.823 -0.244 0.000 0.810 327 V HN 0.560 nan 8.190 nan 0.000 0.500 328 T N -2.406 112.040 114.554 -0.180 0.000 3.113 328 T HA 0.286 4.636 4.350 -0.000 0.000 0.256 328 T C 1.220 175.869 174.700 -0.086 0.000 1.131 328 T CA 0.542 62.564 62.100 -0.130 0.000 1.074 328 T CB -0.297 68.542 68.868 -0.048 0.000 0.944 328 T HN 0.709 nan 8.240 nan 0.000 0.516 329 G N 2.462 111.212 108.800 -0.084 0.000 2.529 329 G HA2 0.363 4.323 3.960 -0.000 0.000 0.277 329 G HA3 0.363 4.323 3.960 -0.000 0.000 0.277 329 G C 0.111 174.973 174.900 -0.063 0.000 1.383 329 G CA -0.550 44.510 45.100 -0.067 0.000 1.050 329 G HN 0.690 nan 8.290 nan 0.000 0.526 330 N N -1.223 117.446 118.700 -0.052 0.000 2.347 330 N HA 0.115 4.855 4.740 -0.000 0.000 0.253 330 N C 0.407 175.890 175.510 -0.045 0.000 1.274 330 N CA 0.093 53.116 53.050 -0.044 0.000 0.941 330 N CB 0.434 38.900 38.487 -0.036 0.000 1.200 330 N HN 0.345 nan 8.380 nan 0.000 0.514 331 D N -0.615 119.763 120.400 -0.037 0.000 2.116 331 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 331 D C 1.603 177.883 176.300 -0.034 0.000 0.998 331 D CA 1.241 55.220 54.000 -0.035 0.000 0.836 331 D CB -0.213 40.571 40.800 -0.026 0.000 0.951 331 D HN 0.361 nan 8.370 nan 0.000 0.449 332 L N 0.524 121.729 121.223 -0.029 0.000 2.017 332 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 332 L C 2.286 179.138 176.870 -0.030 0.000 1.073 332 L CA 1.653 56.477 54.840 -0.026 0.000 0.745 332 L CB -0.603 41.443 42.059 -0.021 0.000 0.894 332 L HN 0.095 nan 8.230 nan 0.000 0.432 333 Q N -1.673 118.106 119.800 -0.035 0.000 2.167 333 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 333 Q C 1.984 177.955 176.000 -0.048 0.000 0.970 333 Q CA 1.777 57.556 55.803 -0.039 0.000 0.855 333 Q CB -0.269 28.443 28.738 -0.043 0.000 0.911 333 Q HN 0.493 nan 8.270 nan 0.000 0.438 334 T N 0.840 115.361 114.554 -0.055 0.000 2.904 334 T HA -0.106 4.244 4.350 -0.000 0.000 0.267 334 T C 1.740 176.407 174.700 -0.055 0.000 1.059 334 T CA 0.725 62.785 62.100 -0.066 0.000 1.137 334 T CB -0.017 68.807 68.868 -0.073 0.000 0.879 334 T HN 0.173 nan 8.240 nan 0.000 0.467 335 Q N 0.643 120.417 119.800 -0.043 0.000 2.170 335 Q HA -0.028 4.312 4.340 -0.000 0.000 0.203 335 Q C 2.563 178.544 176.000 -0.033 0.000 0.976 335 Q CA 0.790 56.572 55.803 -0.036 0.000 0.858 335 Q CB -0.598 28.123 28.738 -0.028 0.000 0.907 335 Q HN 0.400 nan 8.270 nan 0.000 0.433 336 V N 0.199 120.094 119.914 -0.032 0.000 2.332 336 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 336 V C 2.432 178.506 176.094 -0.032 0.000 1.055 336 V CA 1.513 63.797 62.300 -0.027 0.000 1.038 336 V CB -0.579 31.230 31.823 -0.024 0.000 0.651 336 V HN 0.111 nan 8.190 nan 0.000 0.450 337 V N -0.337 119.550 119.914 -0.044 0.000 2.427 337 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 337 V C 2.154 178.219 176.094 -0.048 0.000 1.051 337 V CA 1.882 64.151 62.300 -0.051 0.000 1.048 337 V CB -0.505 31.275 31.823 -0.072 0.000 0.666 337 V HN 0.431 nan 8.190 nan 0.000 0.456 338 I N 0.746 121.288 120.570 -0.047 0.000 2.179 338 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 338 I C 2.307 178.404 176.117 -0.032 0.000 1.088 338 I CA 1.492 62.768 61.300 -0.041 0.000 1.357 338 I CB -0.540 37.436 38.000 -0.040 0.000 1.051 338 I HN 0.351 nan 8.210 nan 0.000 0.409 339 N N 1.250 119.933 118.700 -0.028 0.000 2.364 339 N HA -0.110 4.630 4.740 -0.000 0.000 0.183 339 N C 1.634 177.133 175.510 -0.019 0.000 1.022 339 N CA 1.305 54.342 53.050 -0.022 0.000 0.883 339 N CB -0.287 38.189 38.487 -0.018 0.000 0.965 339 N HN 0.351 nan 8.380 nan 0.000 0.438 340 A N 0.092 122.898 122.820 -0.023 0.000 2.235 340 A HA 0.339 4.659 4.320 -0.000 0.000 0.208 340 A C 1.431 179.002 177.584 -0.022 0.000 1.172 340 A CA 0.788 52.813 52.037 -0.020 0.000 0.786 340 A CB -0.409 18.576 19.000 -0.024 0.000 0.804 340 A HN 0.302 nan 8.150 nan 0.000 0.479 341 G N -1.483 107.303 108.800 -0.024 0.000 2.171 341 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.238 341 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.238 341 G C 0.855 175.738 174.900 -0.028 0.000 1.039 341 G CA 0.577 45.663 45.100 -0.024 0.000 0.759 341 G HN 0.959 nan 8.290 nan 0.000 0.501 342 V N 0.235 120.127 119.914 -0.036 0.000 2.407 342 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 342 V C 2.762 178.833 176.094 -0.038 0.000 1.055 342 V CA 2.659 64.933 62.300 -0.043 0.000 1.049 342 V CB -0.265 31.523 31.823 -0.058 0.000 0.662 342 V HN 0.566 nan 8.190 nan 0.000 0.455 343 L N 0.095 121.298 121.223 -0.035 0.000 2.012 343 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 343 L C 0.166 177.025 176.870 -0.019 0.000 1.073 343 L CA 2.083 56.907 54.840 -0.028 0.000 0.748 343 L CB -2.098 39.945 42.059 -0.026 0.000 0.891 343 L HN 0.350 nan 8.230 nan 0.000 0.431 344 P HA -0.134 nan 4.420 nan 0.000 0.217 344 P C 1.482 178.775 177.300 -0.012 0.000 1.150 344 P CA 1.631 64.724 63.100 -0.013 0.000 0.832 344 P CB 0.012 31.704 31.700 -0.013 0.000 0.787 345 A N -0.501 122.309 122.820 -0.017 0.000 1.902 345 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 345 A C 2.167 179.742 177.584 -0.014 0.000 1.181 345 A CA 1.446 53.473 52.037 -0.017 0.000 0.623 345 A CB -1.689 17.297 19.000 -0.024 0.000 0.818 345 A HN 0.107 nan 8.150 nan 0.000 0.443 346 L N -1.019 120.193 121.223 -0.018 0.000 2.083 346 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 346 L C 2.731 179.600 176.870 -0.002 0.000 1.083 346 L CA 1.639 56.471 54.840 -0.013 0.000 0.752 346 L CB -0.459 41.587 42.059 -0.021 0.000 0.899 346 L HN 0.473 nan 8.230 nan 0.000 0.433 347 R N 0.636 121.135 120.500 -0.001 0.000 2.103 347 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 347 R C 2.264 178.568 176.300 0.007 0.000 1.142 347 R CA 1.596 57.699 56.100 0.005 0.000 0.960 347 R CB -0.247 30.056 30.300 0.005 0.000 0.858 347 R HN 0.326 nan 8.270 nan 0.000 0.439 348 L N 0.389 121.614 121.223 0.003 0.000 2.056 348 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 348 L C 2.384 179.259 176.870 0.008 0.000 1.078 348 L CA 0.994 55.837 54.840 0.004 0.000 0.749 348 L CB -0.391 41.668 42.059 0.000 0.000 0.901 348 L HN 0.263 nan 8.230 nan 0.000 0.433 349 L N -0.208 121.019 121.223 0.007 0.000 2.353 349 L HA -0.184 4.156 4.340 -0.000 0.000 0.220 349 L C 2.228 179.110 176.870 0.019 0.000 1.133 349 L CA 0.703 55.551 54.840 0.012 0.000 0.798 349 L CB -0.357 41.708 42.059 0.010 0.000 0.922 349 L HN 0.325 nan 8.230 nan 0.000 0.445 350 L N -1.217 120.017 121.223 0.018 0.000 2.622 350 L HA -0.070 4.270 4.340 -0.000 0.000 0.233 350 L C 1.589 178.472 176.870 0.021 0.000 1.156 350 L CA 0.437 55.290 54.840 0.023 0.000 0.866 350 L CB -0.158 41.914 42.059 0.022 0.000 0.980 350 L HN 0.151 nan 8.230 nan 0.000 0.448 351 S N -1.737 113.974 115.700 0.018 0.000 2.629 351 S HA 0.049 4.519 4.470 -0.000 0.000 0.236 351 S C 0.726 175.337 174.600 0.018 0.000 1.010 351 S CA -0.241 57.969 58.200 0.017 0.000 0.981 351 S CB 0.452 63.660 63.200 0.013 0.000 0.919 351 S HN 0.298 nan 8.310 nan 0.000 0.514 352 S N 3.863 119.576 115.700 0.020 0.000 2.552 352 S HA 0.084 4.554 4.470 -0.000 0.000 0.289 352 S C -1.078 173.536 174.600 0.024 0.000 1.304 352 S CA -1.026 57.187 58.200 0.022 0.000 1.063 352 S CB 0.727 63.942 63.200 0.024 0.000 0.848 352 S HN 0.178 nan 8.310 nan 0.000 0.499 353 P HA -0.056 nan 4.420 nan 0.000 0.225 353 P C -0.276 177.041 177.300 0.028 0.000 1.148 353 P CA 0.762 63.877 63.100 0.024 0.000 0.779 353 P CB 0.134 31.847 31.700 0.022 0.000 0.780 354 K N 1.226 121.644 120.400 0.031 0.000 2.316 354 K HA 0.056 4.375 4.320 -0.000 0.000 0.289 354 K C 1.194 177.816 176.600 0.036 0.000 1.070 354 K CA -0.044 56.264 56.287 0.035 0.000 0.928 354 K CB 1.096 33.619 32.500 0.039 0.000 1.039 354 K HN -0.087 nan 8.250 nan 0.000 0.480 355 E N 2.939 123.160 120.200 0.036 0.000 2.085 355 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 355 E C 0.872 177.495 176.600 0.038 0.000 0.994 355 E CA 1.650 58.071 56.400 0.035 0.000 0.801 355 E CB 0.150 29.870 29.700 0.034 0.000 0.743 355 E HN 0.434 nan 8.360 nan 0.000 0.453 356 N N -0.161 118.563 118.700 0.041 0.000 2.381 356 N HA -0.069 4.671 4.740 -0.000 0.000 0.182 356 N C 1.696 177.238 175.510 0.053 0.000 1.025 356 N CA 0.814 53.890 53.050 0.043 0.000 0.888 356 N CB -0.001 38.514 38.487 0.048 0.000 0.965 356 N HN 0.334 nan 8.380 nan 0.000 0.438 357 I N 0.981 121.581 120.570 0.050 0.000 2.400 357 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 357 I C 1.954 178.104 176.117 0.056 0.000 1.109 357 I CA 0.772 62.102 61.300 0.050 0.000 1.425 357 I CB -0.004 38.017 38.000 0.036 0.000 1.094 357 I HN 0.001 nan 8.210 nan 0.000 0.425 358 K N 0.962 121.391 120.400 0.048 0.000 2.097 358 K HA -0.227 4.093 4.320 -0.000 0.000 0.206 358 K C 2.152 178.791 176.600 0.064 0.000 1.049 358 K CA 1.302 57.618 56.287 0.048 0.000 0.933 358 K CB -0.133 32.390 32.500 0.039 0.000 0.717 358 K HN 0.196 nan 8.250 nan 0.000 0.442 359 K N 1.582 122.021 120.400 0.065 0.000 2.002 359 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 359 K C 1.751 178.438 176.600 0.145 0.000 1.048 359 K CA 1.540 57.872 56.287 0.076 0.000 0.930 359 K CB 0.105 32.627 32.500 0.038 0.000 0.714 359 K HN 0.132 nan 8.250 nan 0.000 0.438 360 E N -0.062 120.237 120.200 0.164 0.000 2.268 360 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 360 E C 1.846 178.623 176.600 0.295 0.000 0.995 360 E CA 0.686 57.290 56.400 0.341 0.000 0.836 360 E CB 0.049 29.932 29.700 0.304 0.000 0.763 360 E HN 0.413 nan 8.360 nan 0.000 0.491 361 A N 0.950 123.860 122.820 0.150 0.000 1.898 361 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 361 A C 2.434 180.060 177.584 0.071 0.000 1.181 361 A CA 0.934 53.017 52.037 0.077 0.000 0.620 361 A CB -0.715 18.315 19.000 0.049 0.000 0.819 361 A HN 0.320 nan 8.150 nan 0.000 0.442 362 C N -2.551 116.813 119.300 0.106 0.000 2.440 362 C HA -0.109 4.351 4.460 -0.000 0.000 0.278 362 C C 2.337 177.411 174.990 0.139 0.000 1.295 362 C CA 0.529 59.609 59.018 0.103 0.000 1.738 362 C CB -1.553 26.251 27.740 0.107 0.000 1.987 362 C HN 0.889 nan 8.230 nan 0.000 0.492 363 W N 2.025 123.319 121.300 -0.010 0.000 2.355 363 W HA -0.138 4.522 4.660 -0.000 0.000 0.309 363 W C 2.247 178.738 176.519 -0.046 0.000 1.206 363 W CA 2.199 59.521 57.345 -0.039 0.000 1.284 363 W CB -0.959 28.471 29.460 -0.049 0.000 1.145 363 W HN 0.173 nan 8.180 nan 0.000 0.502 364 T N 1.700 116.076 114.554 -0.296 0.000 2.708 364 T HA -0.233 4.117 4.350 -0.000 0.000 0.266 364 T C 1.899 176.420 174.700 -0.297 0.000 1.037 364 T CA 2.367 64.167 62.100 -0.499 0.000 1.146 364 T CB -0.488 68.208 68.868 -0.287 0.000 0.865 364 T HN 0.191 nan 8.240 nan 0.000 0.435 365 I N 1.904 122.392 120.570 -0.137 0.000 2.226 365 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 365 I C 2.839 178.915 176.117 -0.069 0.000 1.100 365 I CA 1.447 62.700 61.300 -0.079 0.000 1.374 365 I CB -0.590 37.400 38.000 -0.016 0.000 1.057 365 I HN 0.336 nan 8.210 nan 0.000 0.413 366 S N 0.808 116.481 115.700 -0.045 0.000 2.400 366 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 366 S C 1.651 176.202 174.600 -0.082 0.000 1.025 366 S CA 1.261 59.462 58.200 0.002 0.000 0.993 366 S CB -0.548 62.705 63.200 0.087 0.000 0.808 366 S HN 0.449 nan 8.310 nan 0.000 0.478 367 N N 0.819 119.392 118.700 -0.213 0.000 2.461 367 N HA 0.268 5.008 4.740 -0.000 0.000 0.188 367 N C 1.195 176.609 175.510 -0.161 0.000 1.134 367 N CA 0.548 53.460 53.050 -0.230 0.000 0.878 367 N CB -0.010 38.246 38.487 -0.385 0.000 0.972 367 N HN 0.567 nan 8.380 nan 0.000 0.456 368 I N -0.290 120.206 120.570 -0.124 0.000 3.172 368 I HA -0.077 4.093 4.170 -0.000 0.000 0.278 368 I C 1.897 177.988 176.117 -0.044 0.000 1.174 368 I CA 0.687 61.935 61.300 -0.087 0.000 1.445 368 I CB -0.059 37.890 38.000 -0.085 0.000 1.175 368 I HN 0.021 nan 8.210 nan 0.000 0.447 369 T N -0.785 113.756 114.554 -0.022 0.000 3.118 369 T HA 0.124 4.474 4.350 -0.000 0.000 0.260 369 T C 1.517 176.231 174.700 0.022 0.000 1.139 369 T CA 0.692 62.798 62.100 0.011 0.000 1.085 369 T CB -0.067 68.824 68.868 0.038 0.000 0.934 369 T HN 0.256 nan 8.240 nan 0.000 0.518 370 A N 0.657 123.480 122.820 0.006 0.000 2.278 370 A HA 0.659 4.979 4.320 -0.000 0.000 0.212 370 A C 1.374 178.957 177.584 -0.001 0.000 1.213 370 A CA 0.063 52.110 52.037 0.016 0.000 0.840 370 A CB -0.605 18.391 19.000 -0.005 0.000 0.866 370 A HN 0.614 nan 8.150 nan 0.000 0.489 371 G N 0.297 109.090 108.800 -0.012 0.000 2.641 371 G HA2 0.384 4.344 3.960 -0.000 0.000 0.239 371 G HA3 0.384 4.344 3.960 -0.000 0.000 0.239 371 G C 0.116 175.013 174.900 -0.005 0.000 1.402 371 G CA -0.162 44.929 45.100 -0.016 0.000 1.046 371 G HN 0.582 nan 8.290 nan 0.000 0.565 372 N N -1.553 117.142 118.700 -0.009 0.000 2.294 372 N HA 0.156 4.896 4.740 -0.000 0.000 0.248 372 N C 1.146 176.655 175.510 -0.002 0.000 1.300 372 N CA 0.527 53.575 53.050 -0.004 0.000 0.925 372 N CB -0.255 38.228 38.487 -0.007 0.000 1.188 372 N HN 0.245 nan 8.380 nan 0.000 0.512 373 T N -0.577 113.977 114.554 0.000 0.000 2.720 373 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 373 T C 1.222 175.918 174.700 -0.006 0.000 1.037 373 T CA 1.285 63.385 62.100 0.001 0.000 1.144 373 T CB -0.326 68.543 68.868 0.002 0.000 0.864 373 T HN 0.469 nan 8.240 nan 0.000 0.444 374 E N 1.606 121.800 120.200 -0.010 0.000 2.077 374 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 374 E C 2.376 178.965 176.600 -0.019 0.000 0.989 374 E CA 1.132 57.522 56.400 -0.016 0.000 0.800 374 E CB -0.345 29.345 29.700 -0.016 0.000 0.746 374 E HN 0.635 nan 8.360 nan 0.000 0.452 375 Q N 0.051 119.840 119.800 -0.018 0.000 2.119 375 Q HA -0.055 4.285 4.340 -0.000 0.000 0.201 375 Q C 2.379 178.369 176.000 -0.017 0.000 0.972 375 Q CA 0.872 56.663 55.803 -0.021 0.000 0.847 375 Q CB -0.089 28.634 28.738 -0.025 0.000 0.903 375 Q HN 0.320 nan 8.270 nan 0.000 0.433 376 I N 0.269 120.834 120.570 -0.008 0.000 2.353 376 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 376 I C 2.450 178.563 176.117 -0.006 0.000 1.119 376 I CA 0.880 62.181 61.300 0.003 0.000 1.417 376 I CB -0.124 37.886 38.000 0.016 0.000 1.078 376 I HN 0.185 nan 8.210 nan 0.000 0.421 377 Q N 1.462 121.251 119.800 -0.019 0.000 2.167 377 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 377 Q C 2.128 178.098 176.000 -0.050 0.000 0.970 377 Q CA 1.971 57.750 55.803 -0.041 0.000 0.855 377 Q CB -0.221 28.493 28.738 -0.040 0.000 0.911 377 Q HN 0.482 nan 8.270 nan 0.000 0.438 378 A N -0.686 122.113 122.820 -0.036 0.000 1.898 378 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 378 A C 2.242 179.806 177.584 -0.032 0.000 1.181 378 A CA 1.543 53.559 52.037 -0.036 0.000 0.620 378 A CB -0.807 18.175 19.000 -0.031 0.000 0.819 378 A HN 0.258 nan 8.150 nan 0.000 0.442 379 V N 0.320 120.222 119.914 -0.021 0.000 2.343 379 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 379 V C 2.415 178.509 176.094 -0.001 0.000 1.051 379 V CA 2.022 64.318 62.300 -0.007 0.000 1.036 379 V CB -0.662 31.165 31.823 0.007 0.000 0.654 379 V HN 0.565 nan 8.190 nan 0.000 0.451 380 I N 0.097 120.655 120.570 -0.021 0.000 2.142 380 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 380 I C 2.270 178.315 176.117 -0.120 0.000 1.078 380 I CA 1.654 62.912 61.300 -0.070 0.000 1.343 380 I CB -0.555 37.331 38.000 -0.190 0.000 1.046 380 I HN 0.327 nan 8.210 nan 0.000 0.405 381 D N 1.235 121.568 120.400 -0.112 0.000 2.221 381 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 381 D C 1.962 178.229 176.300 -0.054 0.000 0.982 381 D CA 1.303 55.246 54.000 -0.096 0.000 0.857 381 D CB -0.088 40.666 40.800 -0.076 0.000 0.934 381 D HN 0.355 nan 8.370 nan 0.000 0.475 382 A N 0.270 123.070 122.820 -0.034 0.000 2.238 382 A HA -0.053 4.267 4.320 -0.000 0.000 0.208 382 A C 0.700 178.285 177.584 0.001 0.000 1.177 382 A CA 0.040 52.067 52.037 -0.016 0.000 0.804 382 A CB -0.195 18.797 19.000 -0.014 0.000 0.823 382 A HN 0.126 nan 8.150 nan 0.000 0.482 383 N N -1.690 117.016 118.700 0.010 0.000 2.780 383 N HA -0.148 4.592 4.740 -0.000 0.000 0.248 383 N C 0.225 175.770 175.510 0.059 0.000 1.102 383 N CA 0.640 53.719 53.050 0.048 0.000 0.697 383 N CB -1.010 37.499 38.487 0.037 0.000 1.028 383 N HN 0.305 nan 8.380 nan 0.000 0.554 384 L N 0.170 121.428 121.223 0.058 0.000 2.446 384 L HA 0.138 4.478 4.340 -0.000 0.000 0.219 384 L C 2.258 179.169 176.870 0.068 0.000 1.116 384 L CA 0.516 55.386 54.840 0.051 0.000 0.844 384 L CB -0.196 41.884 42.059 0.035 0.000 0.970 384 L HN 0.281 nan 8.230 nan 0.000 0.457 385 I N 0.551 121.190 120.570 0.115 0.000 2.179 385 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 385 I C -0.022 176.117 176.117 0.036 0.000 1.088 385 I CA 1.418 62.776 61.300 0.097 0.000 1.357 385 I CB -2.388 35.716 38.000 0.175 0.000 1.051 385 I HN 0.162 nan 8.210 nan 0.000 0.409 386 P HA -0.128 nan 4.420 nan 0.000 0.214 386 P C -1.166 176.138 177.300 0.007 0.000 1.163 386 P CA 2.229 65.332 63.100 0.006 0.000 0.889 386 P CB -1.291 30.422 31.700 0.023 0.000 0.790 387 P HA -0.132 nan 4.420 nan 0.000 0.218 387 P C 1.572 178.883 177.300 0.017 0.000 1.149 387 P CA 1.156 64.266 63.100 0.017 0.000 0.817 387 P CB -0.253 31.460 31.700 0.021 0.000 0.785 388 L N -0.150 121.086 121.223 0.021 0.000 2.056 388 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 388 L C 2.705 179.582 176.870 0.012 0.000 1.078 388 L CA 1.500 56.354 54.840 0.024 0.000 0.749 388 L CB -1.338 40.740 42.059 0.033 0.000 0.901 388 L HN -0.201 nan 8.230 nan 0.000 0.433 389 V N -0.757 119.155 119.914 -0.003 0.000 2.515 389 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 389 V C 2.540 178.626 176.094 -0.013 0.000 1.058 389 V CA 1.513 63.802 62.300 -0.019 0.000 1.064 389 V CB -0.510 31.285 31.823 -0.047 0.000 0.675 389 V HN 0.385 nan 8.190 nan 0.000 0.461 390 K N 0.624 121.020 120.400 -0.007 0.000 2.057 390 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 390 K C 1.868 178.472 176.600 0.006 0.000 1.050 390 K CA 1.563 57.849 56.287 -0.003 0.000 0.935 390 K CB -0.489 32.011 32.500 0.000 0.000 0.715 390 K HN 0.406 nan 8.250 nan 0.000 0.439 391 L N 0.213 121.443 121.223 0.012 0.000 2.093 391 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 391 L C 2.383 179.265 176.870 0.019 0.000 1.085 391 L CA 0.771 55.622 54.840 0.019 0.000 0.755 391 L CB -0.399 41.675 42.059 0.024 0.000 0.904 391 L HN 0.208 nan 8.230 nan 0.000 0.435 392 L N 0.360 121.591 121.223 0.014 0.000 2.127 392 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 392 L C 2.666 179.546 176.870 0.018 0.000 1.089 392 L CA 1.752 56.600 54.840 0.014 0.000 0.757 392 L CB -0.127 41.934 42.059 0.004 0.000 0.899 392 L HN 0.481 nan 8.230 nan 0.000 0.434 393 E N -0.906 119.300 120.200 0.011 0.000 2.140 393 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 393 E C 1.695 178.306 176.600 0.019 0.000 0.973 393 E CA 1.319 57.725 56.400 0.011 0.000 0.829 393 E CB -0.094 29.604 29.700 -0.002 0.000 0.781 393 E HN 0.435 nan 8.360 nan 0.000 0.466 394 V N -1.958 117.967 119.914 0.020 0.000 3.645 394 V HA 0.496 4.616 4.120 -0.000 0.000 0.275 394 V C 1.104 177.217 176.094 0.032 0.000 1.356 394 V CA -0.130 62.184 62.300 0.023 0.000 1.051 394 V CB 0.177 32.010 31.823 0.016 0.000 0.828 394 V HN 0.286 nan 8.190 nan 0.000 0.441 395 A N 1.029 123.870 122.820 0.034 0.000 2.346 395 A HA 0.444 4.764 4.320 -0.000 0.000 0.255 395 A C 0.528 178.145 177.584 0.056 0.000 1.113 395 A CA -0.177 51.883 52.037 0.038 0.000 0.798 395 A CB -0.028 18.991 19.000 0.032 0.000 1.073 395 A HN 0.464 nan 8.150 nan 0.000 0.502 396 E N -0.941 119.292 120.200 0.056 0.000 2.408 396 E HA -0.006 4.344 4.350 -0.000 0.000 0.259 396 E C 0.616 177.282 176.600 0.110 0.000 1.110 396 E CA 0.036 56.486 56.400 0.083 0.000 0.929 396 E CB 0.120 29.862 29.700 0.069 0.000 0.971 396 E HN 0.663 nan 8.360 nan 0.000 0.438 397 Y N 3.136 123.450 120.300 0.022 0.000 2.114 397 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 397 Y C 2.189 178.111 175.900 0.037 0.000 1.165 397 Y CA 2.624 60.739 58.100 0.025 0.000 1.148 397 Y CB -0.070 38.401 38.460 0.019 0.000 0.972 397 Y HN 0.548 nan 8.280 nan 0.000 0.504 398 K N -1.754 118.607 120.400 -0.064 0.000 2.218 398 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 398 K C 1.603 178.130 176.600 -0.122 0.000 1.046 398 K CA 1.939 58.144 56.287 -0.137 0.000 0.933 398 K CB -0.610 31.879 32.500 -0.018 0.000 0.728 398 K HN 0.262 nan 8.250 nan 0.000 0.454 399 T N 1.025 115.539 114.554 -0.066 0.000 2.983 399 T HA 0.046 4.396 4.350 -0.000 0.000 0.250 399 T C 1.530 176.210 174.700 -0.033 0.000 1.037 399 T CA 0.695 62.783 62.100 -0.021 0.000 1.142 399 T CB 0.045 68.921 68.868 0.014 0.000 0.876 399 T HN 0.260 nan 8.240 nan 0.000 0.455 400 K N 1.483 121.848 120.400 -0.057 0.000 2.074 400 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 400 K C 2.321 178.870 176.600 -0.085 0.000 1.048 400 K CA 1.314 57.576 56.287 -0.042 0.000 0.926 400 K CB -0.148 32.353 32.500 0.003 0.000 0.713 400 K HN 0.235 nan 8.250 nan 0.000 0.444 401 K N 1.234 121.487 120.400 -0.245 0.000 2.074 401 K HA -0.245 4.075 4.320 -0.000 0.000 0.209 401 K C 1.972 178.611 176.600 0.065 0.000 1.048 401 K CA 1.787 57.939 56.287 -0.224 0.000 0.926 401 K CB 0.049 32.268 32.500 -0.468 0.000 0.713 401 K HN -0.033 nan 8.250 nan 0.000 0.444 402 E N -0.009 120.240 120.200 0.082 0.000 2.107 402 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 402 E C 1.657 178.370 176.600 0.188 0.000 0.982 402 E CA 1.192 57.712 56.400 0.201 0.000 0.809 402 E CB -0.126 29.664 29.700 0.151 0.000 0.756 402 E HN 0.429 nan 8.360 nan 0.000 0.459 403 A N -0.048 122.832 122.820 0.101 0.000 1.933 403 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 403 A C 2.501 180.132 177.584 0.079 0.000 1.175 403 A CA 1.455 53.540 52.037 0.080 0.000 0.628 403 A CB -1.160 17.866 19.000 0.043 0.000 0.814 403 A HN 0.495 nan 8.150 nan 0.000 0.444 404 C N -1.715 117.616 119.300 0.052 0.000 2.432 404 C HA -0.149 4.311 4.460 -0.000 0.000 0.277 404 C C 2.384 177.388 174.990 0.024 0.000 1.249 404 C CA 1.161 60.175 59.018 -0.007 0.000 1.725 404 C CB -1.648 26.038 27.740 -0.090 0.000 2.028 404 C HN 0.749 nan 8.230 nan 0.000 0.477 405 W N 0.916 122.223 121.300 0.011 0.000 2.335 405 W HA -0.091 4.569 4.660 0.000 0.000 0.311 405 W C 2.702 179.232 176.519 0.019 0.000 1.213 405 W CA 1.781 59.140 57.345 0.022 0.000 1.274 405 W CB -0.575 28.910 29.460 0.042 0.000 1.148 405 W HN 0.419 nan 8.180 nan 0.000 0.498 406 A N 0.167 123.151 122.820 0.273 0.000 1.883 406 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 406 A C 1.850 179.502 177.584 0.112 0.000 1.186 406 A CA 1.988 54.119 52.037 0.155 0.000 0.624 406 A CB -0.997 18.067 19.000 0.107 0.000 0.822 406 A HN 0.308 nan 8.150 nan 0.000 0.444 407 I N -1.079 119.543 120.570 0.087 0.000 2.286 407 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 407 I C 2.819 178.964 176.117 0.047 0.000 1.104 407 I CA 1.370 62.703 61.300 0.054 0.000 1.397 407 I CB -0.257 37.758 38.000 0.025 0.000 1.072 407 I HN 0.404 nan 8.210 nan 0.000 0.417 408 S N 1.082 116.805 115.700 0.039 0.000 2.356 408 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 408 S C 1.892 176.529 174.600 0.062 0.000 1.032 408 S CA 1.582 59.790 58.200 0.013 0.000 1.005 408 S CB -0.274 62.884 63.200 -0.070 0.000 0.867 408 S HN 0.398 nan 8.310 nan 0.000 0.449 409 N N 1.866 120.643 118.700 0.128 0.000 2.149 409 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 409 N C 1.898 177.458 175.510 0.083 0.000 1.019 409 N CA 1.322 54.451 53.050 0.133 0.000 0.857 409 N CB -0.853 37.732 38.487 0.164 0.000 0.997 409 N HN 0.515 nan 8.380 nan 0.000 0.426 410 A N 1.034 123.898 122.820 0.074 0.000 1.908 410 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 410 A C 2.415 180.032 177.584 0.056 0.000 1.181 410 A CA 2.203 54.277 52.037 0.062 0.000 0.627 410 A CB -0.860 18.182 19.000 0.069 0.000 0.818 410 A HN 0.482 nan 8.150 nan 0.000 0.445 411 S N -0.498 115.232 115.700 0.049 0.000 2.442 411 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 411 S C 1.871 176.493 174.600 0.037 0.000 1.007 411 S CA 1.499 59.722 58.200 0.039 0.000 0.965 411 S CB -0.610 62.605 63.200 0.024 0.000 0.773 411 S HN 0.426 nan 8.310 nan 0.000 0.504 412 S N 1.478 117.203 115.700 0.042 0.000 2.423 412 S HA 0.080 4.550 4.470 -0.000 0.000 0.231 412 S C 1.876 176.498 174.600 0.037 0.000 1.014 412 S CA 0.957 59.182 58.200 0.041 0.000 0.965 412 S CB -0.744 62.486 63.200 0.051 0.000 0.785 412 S HN 0.791 nan 8.310 nan 0.000 0.495 413 G N 0.641 109.464 108.800 0.038 0.000 2.813 413 G HA2 0.184 4.144 3.960 -0.000 0.000 0.209 413 G HA3 0.184 4.144 3.960 -0.000 0.000 0.209 413 G C 1.221 176.141 174.900 0.032 0.000 1.150 413 G CA 0.472 45.591 45.100 0.032 0.000 0.785 413 G HN 0.528 nan 8.290 nan 0.000 0.535 414 G N 0.940 109.761 108.800 0.036 0.000 2.443 414 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.219 414 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.219 414 G C 1.617 176.536 174.900 0.031 0.000 1.131 414 G CA 0.798 45.920 45.100 0.037 0.000 0.775 414 G HN 0.374 nan 8.290 nan 0.000 0.547 415 L N 0.427 121.668 121.223 0.029 0.000 1.990 415 L HA -0.137 4.203 4.340 -0.000 0.000 0.213 415 L C 2.934 179.819 176.870 0.024 0.000 1.072 415 L CA 2.122 56.979 54.840 0.027 0.000 0.755 415 L CB -0.593 41.482 42.059 0.027 0.000 0.889 415 L HN 0.330 nan 8.230 nan 0.000 0.432 416 Q N -0.486 119.327 119.800 0.022 0.000 1.941 416 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 416 Q C 0.505 176.516 176.000 0.017 0.000 0.982 416 Q CA 1.286 57.099 55.803 0.017 0.000 0.839 416 Q CB -0.113 28.634 28.738 0.015 0.000 0.904 416 Q HN 0.412 nan 8.270 nan 0.000 0.427 417 R N 1.933 122.444 120.500 0.019 0.000 2.369 417 R HA 0.156 4.496 4.340 -0.000 0.000 0.310 417 R C -1.906 174.411 176.300 0.028 0.000 1.141 417 R CA -1.409 54.703 56.100 0.019 0.000 1.116 417 R CB 0.803 31.111 30.300 0.014 0.000 1.135 417 R HN 0.202 nan 8.270 nan 0.000 0.529 418 P HA -0.179 nan 4.420 nan 0.000 0.222 418 P C -0.213 177.115 177.300 0.046 0.000 1.142 418 P CA 1.206 64.327 63.100 0.035 0.000 0.788 418 P CB 0.405 32.123 31.700 0.029 0.000 0.767 419 D N -0.621 119.806 120.400 0.045 0.000 2.317 419 D HA -0.008 4.632 4.640 -0.000 0.000 0.211 419 D C 2.010 178.367 176.300 0.095 0.000 0.966 419 D CA 0.485 54.522 54.000 0.062 0.000 0.876 419 D CB -0.485 40.340 40.800 0.041 0.000 0.927 419 D HN 0.238 nan 8.370 nan 0.000 0.519 420 I N 0.508 121.126 120.570 0.080 0.000 2.202 420 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 420 I C 1.891 178.089 176.117 0.136 0.000 1.091 420 I CA 0.592 61.959 61.300 0.111 0.000 1.368 420 I CB -0.093 37.950 38.000 0.072 0.000 1.058 420 I HN 0.040 nan 8.210 nan 0.000 0.410 421 I N 0.777 121.400 120.570 0.088 0.000 2.142 421 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 421 I C 2.661 178.823 176.117 0.075 0.000 1.078 421 I CA 1.624 62.965 61.300 0.068 0.000 1.343 421 I CB -1.310 36.718 38.000 0.047 0.000 1.046 421 I HN 0.261 nan 8.210 nan 0.000 0.405 422 R N -0.399 120.154 120.500 0.087 0.000 2.091 422 R HA -0.248 4.092 4.340 -0.000 0.000 0.238 422 R C 2.384 178.748 176.300 0.107 0.000 1.136 422 R CA 1.753 57.909 56.100 0.092 0.000 0.959 422 R CB -0.609 29.745 30.300 0.089 0.000 0.856 422 R HN 0.359 nan 8.270 nan 0.000 0.437 423 Y N 1.532 121.846 120.300 0.023 0.000 2.163 423 Y HA -0.158 4.392 4.550 -0.000 0.000 0.288 423 Y C 1.967 177.874 175.900 0.012 0.000 1.136 423 Y CA 1.335 59.444 58.100 0.016 0.000 1.147 423 Y CB -0.383 38.084 38.460 0.011 0.000 0.987 423 Y HN -0.062 nan 8.280 nan 0.000 0.509 424 L N -1.032 120.142 121.223 -0.082 0.000 2.012 424 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 424 L C 2.369 179.131 176.870 -0.180 0.000 1.073 424 L CA 1.492 56.233 54.840 -0.165 0.000 0.748 424 L CB -0.953 41.096 42.059 -0.016 0.000 0.891 424 L HN 0.124 nan 8.230 nan 0.000 0.431 425 V N -0.089 119.774 119.914 -0.085 0.000 2.407 425 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 425 V C 2.717 178.732 176.094 -0.132 0.000 1.055 425 V CA 1.961 64.225 62.300 -0.060 0.000 1.049 425 V CB -0.595 31.266 31.823 0.063 0.000 0.662 425 V HN 0.658 nan 8.190 nan 0.000 0.455 426 S N -0.320 115.293 115.700 -0.145 0.000 2.419 426 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 426 S C 1.687 176.148 174.600 -0.232 0.000 1.016 426 S CA 0.968 59.076 58.200 -0.153 0.000 0.974 426 S CB -0.323 62.821 63.200 -0.093 0.000 0.786 426 S HN 0.580 nan 8.310 nan 0.000 0.492 427 Q N 0.917 120.509 119.800 -0.346 0.000 2.365 427 Q HA 0.280 4.620 4.340 -0.000 0.000 0.203 427 Q C 1.194 177.073 176.000 -0.202 0.000 0.929 427 Q CA 0.552 56.174 55.803 -0.303 0.000 0.948 427 Q CB -0.261 28.222 28.738 -0.424 0.000 1.043 427 Q HN 0.809 nan 8.270 nan 0.000 0.505 428 G N 1.443 110.123 108.800 -0.200 0.000 2.225 428 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.264 428 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.264 428 G C 0.900 175.720 174.900 -0.133 0.000 1.060 428 G CA 0.390 45.383 45.100 -0.179 0.000 0.833 428 G HN 0.558 nan 8.290 nan 0.000 0.498 429 C N -1.742 117.485 119.300 -0.121 0.000 2.468 429 C HA 0.390 4.850 4.460 -0.000 0.000 0.277 429 C C 2.549 177.504 174.990 -0.059 0.000 1.400 429 C CA 0.766 59.736 59.018 -0.079 0.000 1.770 429 C CB -0.965 26.733 27.740 -0.069 0.000 1.905 429 C HN 0.560 nan 8.230 nan 0.000 0.519 430 I N 1.852 122.382 120.570 -0.065 0.000 2.099 430 I HA -0.215 3.955 4.170 -0.000 0.000 0.239 430 I C 2.870 178.971 176.117 -0.028 0.000 1.066 430 I CA 2.181 63.462 61.300 -0.031 0.000 1.324 430 I CB -0.535 37.459 38.000 -0.010 0.000 1.037 430 I HN 0.264 nan 8.210 nan 0.000 0.401 431 K N 1.462 121.832 120.400 -0.050 0.000 2.020 431 K HA -0.164 4.156 4.320 -0.000 0.000 0.212 431 K C -0.683 175.902 176.600 -0.025 0.000 1.050 431 K CA 1.990 58.255 56.287 -0.036 0.000 0.929 431 K CB -1.486 30.982 32.500 -0.053 0.000 0.714 431 K HN 0.139 nan 8.250 nan 0.000 0.443 432 P HA -0.102 nan 4.420 nan 0.000 0.218 432 P C 1.063 178.357 177.300 -0.010 0.000 1.149 432 P CA 0.751 63.841 63.100 -0.016 0.000 0.817 432 P CB 0.086 31.774 31.700 -0.020 0.000 0.785 433 L N -0.933 120.280 121.223 -0.016 0.000 2.056 433 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 433 L C 2.347 179.209 176.870 -0.013 0.000 1.078 433 L CA 1.756 56.586 54.840 -0.017 0.000 0.749 433 L CB -1.390 40.656 42.059 -0.022 0.000 0.901 433 L HN 0.032 nan 8.230 nan 0.000 0.433 434 C N -0.524 118.770 119.300 -0.010 0.000 2.432 434 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 434 C C 2.364 177.348 174.990 -0.010 0.000 1.249 434 C CA 0.590 59.602 59.018 -0.010 0.000 1.725 434 C CB -0.909 26.828 27.740 -0.005 0.000 2.028 434 C HN 0.534 nan 8.230 nan 0.000 0.477 435 D N 0.709 121.105 120.400 -0.006 0.000 2.149 435 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 435 D C 1.872 178.175 176.300 0.006 0.000 0.990 435 D CA 0.777 54.776 54.000 -0.002 0.000 0.839 435 D CB -0.595 40.205 40.800 0.000 0.000 0.948 435 D HN 0.317 nan 8.370 nan 0.000 0.460 436 L N 0.754 121.986 121.223 0.015 0.000 2.079 436 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 436 L C 2.115 179.001 176.870 0.026 0.000 1.081 436 L CA 1.262 56.126 54.840 0.041 0.000 0.752 436 L CB -0.505 41.578 42.059 0.040 0.000 0.896 436 L HN 0.040 nan 8.230 nan 0.000 0.433 437 L N -0.758 120.465 121.223 0.001 0.000 2.129 437 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 437 L C 2.479 179.337 176.870 -0.020 0.000 1.087 437 L CA 1.400 56.232 54.840 -0.013 0.000 0.757 437 L CB -0.528 41.517 42.059 -0.024 0.000 0.896 437 L HN 0.334 nan 8.230 nan 0.000 0.434 438 E N 0.539 120.727 120.200 -0.020 0.000 2.208 438 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 438 E C 1.729 178.299 176.600 -0.050 0.000 0.988 438 E CA 0.938 57.320 56.400 -0.031 0.000 0.828 438 E CB 0.096 29.781 29.700 -0.024 0.000 0.763 438 E HN 0.687 nan 8.360 nan 0.000 0.478 439 I N -3.757 116.778 120.570 -0.058 0.000 4.227 439 I HA 0.498 4.668 4.170 -0.000 0.000 0.334 439 I C 0.670 176.654 176.117 -0.222 0.000 1.341 439 I CA -0.420 60.798 61.300 -0.136 0.000 1.123 439 I CB 0.425 38.339 38.000 -0.143 0.000 1.097 439 I HN -0.064 nan 8.210 nan 0.000 0.399 440 A N 2.404 125.183 122.820 -0.068 0.000 2.351 440 A HA 0.377 4.697 4.320 -0.000 0.000 0.257 440 A C -0.362 177.222 177.584 0.001 0.000 1.087 440 A CA -0.172 51.886 52.037 0.034 0.000 0.798 440 A CB 0.013 19.095 19.000 0.137 0.000 1.033 440 A HN 0.603 nan 8.150 nan 0.000 0.488 441 D N 0.711 121.167 120.400 0.095 0.000 2.377 441 D HA 0.129 4.769 4.640 -0.000 0.000 0.245 441 D C 0.625 176.957 176.300 0.053 0.000 1.196 441 D CA -0.570 53.468 54.000 0.063 0.000 0.962 441 D CB 0.407 41.282 40.800 0.126 0.000 1.127 441 D HN 0.336 nan 8.370 nan 0.000 0.471 442 N N 0.052 118.771 118.700 0.032 0.000 2.137 442 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 442 N C 1.773 177.288 175.510 0.009 0.000 1.017 442 N CA 1.411 54.470 53.050 0.015 0.000 0.859 442 N CB -0.480 38.015 38.487 0.013 0.000 1.002 442 N HN 0.677 nan 8.380 nan 0.000 0.428 443 R N 0.582 121.104 120.500 0.036 0.000 2.092 443 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 443 R C 1.620 177.884 176.300 -0.060 0.000 1.119 443 R CA 1.046 57.163 56.100 0.029 0.000 0.970 443 R CB -0.302 30.066 30.300 0.115 0.000 0.864 443 R HN 0.041 nan 8.270 nan 0.000 0.440 444 I N 1.423 121.973 120.570 -0.032 0.000 2.439 444 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 444 I C 2.428 178.473 176.117 -0.120 0.000 1.139 444 I CA 0.919 62.147 61.300 -0.120 0.000 1.438 444 I CB -0.756 37.254 38.000 0.016 0.000 1.085 444 I HN 0.234 nan 8.210 nan 0.000 0.427 445 I N 0.820 121.358 120.570 -0.053 0.000 2.226 445 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 445 I C 2.423 178.488 176.117 -0.088 0.000 1.100 445 I CA 1.339 62.605 61.300 -0.056 0.000 1.374 445 I CB -0.233 37.747 38.000 -0.033 0.000 1.057 445 I HN 0.280 nan 8.210 nan 0.000 0.413 446 E N 0.205 120.346 120.200 -0.099 0.000 2.077 446 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 446 E C 2.310 178.809 176.600 -0.168 0.000 0.989 446 E CA 1.370 57.705 56.400 -0.107 0.000 0.800 446 E CB -0.074 29.575 29.700 -0.086 0.000 0.746 446 E HN 0.295 nan 8.360 nan 0.000 0.452 447 V N 1.185 120.924 119.914 -0.292 0.000 2.343 447 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 447 V C 2.307 178.240 176.094 -0.268 0.000 1.051 447 V CA 2.158 64.197 62.300 -0.436 0.000 1.036 447 V CB -0.735 30.560 31.823 -0.880 0.000 0.654 447 V HN 0.331 nan 8.190 nan 0.000 0.451 448 T N 0.357 114.789 114.554 -0.203 0.000 2.777 448 T HA -0.078 4.271 4.350 -0.000 0.000 0.266 448 T C 1.851 176.500 174.700 -0.084 0.000 1.040 448 T CA 1.343 63.369 62.100 -0.123 0.000 1.141 448 T CB -0.283 68.533 68.868 -0.086 0.000 0.868 448 T HN 0.302 nan 8.240 nan 0.000 0.444 449 L N 0.878 122.055 121.223 -0.077 0.000 2.275 449 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 449 L C 2.229 179.076 176.870 -0.039 0.000 1.119 449 L CA 0.853 55.666 54.840 -0.045 0.000 0.790 449 L CB -0.450 41.587 42.059 -0.036 0.000 0.919 449 L HN 0.205 nan 8.230 nan 0.000 0.443 450 D N 0.153 120.517 120.400 -0.059 0.000 2.137 450 D HA -0.071 4.569 4.640 -0.000 0.000 0.202 450 D C 2.268 178.546 176.300 -0.036 0.000 0.970 450 D CA 1.304 55.280 54.000 -0.040 0.000 0.837 450 D CB 0.091 40.861 40.800 -0.051 0.000 0.981 450 D HN 0.264 nan 8.370 nan 0.000 0.475 451 A N 1.339 124.127 122.820 -0.053 0.000 1.865 451 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 451 A C 2.412 179.977 177.584 -0.031 0.000 1.191 451 A CA 1.042 53.057 52.037 -0.037 0.000 0.623 451 A CB -0.942 18.030 19.000 -0.047 0.000 0.826 451 A HN 0.175 nan 8.150 nan 0.000 0.444 452 L N -0.888 120.314 121.223 -0.035 0.000 2.083 452 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 452 L C 2.672 179.503 176.870 -0.064 0.000 1.083 452 L CA 1.855 56.676 54.840 -0.032 0.000 0.752 452 L CB -0.457 41.593 42.059 -0.015 0.000 0.899 452 L HN 0.628 nan 8.230 nan 0.000 0.433 453 E N 0.033 120.203 120.200 -0.051 0.000 2.208 453 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 453 E C 1.832 178.392 176.600 -0.066 0.000 0.988 453 E CA 0.752 57.111 56.400 -0.068 0.000 0.828 453 E CB 0.209 29.916 29.700 0.012 0.000 0.763 453 E HN 0.474 nan 8.360 nan 0.000 0.478 454 N N 0.793 119.473 118.700 -0.033 0.000 2.135 454 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 454 N C 2.036 177.528 175.510 -0.031 0.000 1.027 454 N CA 1.002 54.043 53.050 -0.014 0.000 0.849 454 N CB -0.246 38.243 38.487 0.003 0.000 1.002 454 N HN 0.248 nan 8.380 nan 0.000 0.425 455 I N 0.766 121.314 120.570 -0.037 0.000 2.208 455 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 455 I C 2.080 178.149 176.117 -0.080 0.000 1.097 455 I CA 0.818 62.099 61.300 -0.031 0.000 1.363 455 I CB -0.128 37.864 38.000 -0.013 0.000 1.051 455 I HN 0.057 nan 8.210 nan 0.000 0.413 456 L N 0.767 121.880 121.223 -0.184 0.000 2.093 456 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 456 L C 2.378 179.069 176.870 -0.299 0.000 1.085 456 L CA 1.832 56.433 54.840 -0.399 0.000 0.755 456 L CB -0.635 40.938 42.059 -0.810 0.000 0.904 456 L HN 0.095 nan 8.230 nan 0.000 0.435 457 K N -1.591 118.727 120.400 -0.137 0.000 2.097 457 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 457 K C 2.030 178.657 176.600 0.046 0.000 1.049 457 K CA 1.688 58.012 56.287 0.061 0.000 0.933 457 K CB -0.247 32.300 32.500 0.078 0.000 0.717 457 K HN 0.193 nan 8.250 nan 0.000 0.442 458 M N 0.655 120.260 119.600 0.008 0.000 2.086 458 M HA -0.054 4.426 4.480 -0.000 0.000 0.261 458 M C 1.951 178.257 176.300 0.010 0.000 1.067 458 M CA 1.931 57.240 55.300 0.016 0.000 1.116 458 M CB -0.765 31.845 32.600 0.016 0.000 1.348 458 M HN 0.131 nan 8.290 nan 0.000 0.407 459 G N -1.098 107.695 108.800 -0.013 0.000 2.448 459 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 459 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 459 G C 1.431 176.326 174.900 -0.007 0.000 1.127 459 G CA 1.239 46.322 45.100 -0.028 0.000 0.766 459 G HN 0.544 nan 8.290 nan 0.000 0.552 460 E N 0.844 121.068 120.200 0.040 0.000 2.051 460 E HA 0.156 4.506 4.350 -0.000 0.000 0.189 460 E C 2.723 179.347 176.600 0.041 0.000 0.979 460 E CA 1.230 57.676 56.400 0.078 0.000 0.803 460 E CB -0.531 29.292 29.700 0.205 0.000 0.761 460 E HN 0.224 nan 8.360 nan 0.000 0.451 461 A N 1.022 123.866 122.820 0.041 0.000 1.883 461 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 461 A C 1.888 179.480 177.584 0.013 0.000 1.186 461 A CA 2.004 54.057 52.037 0.026 0.000 0.624 461 A CB -0.823 18.194 19.000 0.029 0.000 0.822 461 A HN 0.278 nan 8.150 nan 0.000 0.444 462 D N -0.612 119.794 120.400 0.010 0.000 2.178 462 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 462 D C 1.818 178.115 176.300 -0.006 0.000 0.980 462 D CA 1.357 55.359 54.000 0.003 0.000 0.842 462 D CB -0.260 40.542 40.800 0.002 0.000 0.948 462 D HN 0.584 nan 8.370 nan 0.000 0.472 463 K N 0.764 121.158 120.400 -0.012 0.000 2.209 463 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 463 K C 1.845 178.437 176.600 -0.014 0.000 1.048 463 K CA 0.925 57.200 56.287 -0.020 0.000 0.940 463 K CB 0.208 32.692 32.500 -0.026 0.000 0.729 463 K HN 0.094 nan 8.250 nan 0.000 0.451 464 E N -0.429 119.767 120.200 -0.007 0.000 2.075 464 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 464 E C 1.683 178.281 176.600 -0.004 0.000 0.969 464 E CA 0.606 57.003 56.400 -0.005 0.000 0.815 464 E CB -0.015 29.684 29.700 -0.001 0.000 0.776 464 E HN 0.358 nan 8.360 nan 0.000 0.457 465 A N 1.074 123.894 122.820 -0.001 0.000 2.125 465 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 465 A C 1.035 178.618 177.584 -0.002 0.000 1.156 465 A CA 0.767 52.805 52.037 0.001 0.000 0.671 465 A CB -0.176 18.826 19.000 0.004 0.000 0.794 465 A HN 0.074 nan 8.150 nan 0.000 0.459 466 R N -3.101 117.397 120.500 -0.005 0.000 2.902 466 R HA 0.485 4.825 4.340 -0.000 0.000 0.258 466 R C 1.119 177.414 176.300 -0.010 0.000 1.071 466 R CA -0.068 56.028 56.100 -0.007 0.000 1.024 466 R CB 0.921 31.216 30.300 -0.008 0.000 1.184 466 R HN 0.084 nan 8.270 nan 0.000 0.492 467 G N 0.848 109.642 108.800 -0.010 0.000 2.920 467 G HA2 0.075 4.035 3.960 -0.000 0.000 0.208 467 G HA3 0.075 4.035 3.960 -0.000 0.000 0.208 467 G C 0.480 175.370 174.900 -0.016 0.000 1.159 467 G CA -0.202 44.891 45.100 -0.012 0.000 0.784 467 G HN 0.247 nan 8.290 nan 0.000 0.535 468 L N 0.713 121.925 121.223 -0.020 0.000 2.581 468 L HA -0.021 4.319 4.340 -0.000 0.000 0.299 468 L C 0.445 177.297 176.870 -0.029 0.000 1.261 468 L CA 0.119 54.943 54.840 -0.027 0.000 0.866 468 L CB 0.278 42.316 42.059 -0.035 0.000 1.113 468 L HN 0.096 nan 8.230 nan 0.000 0.514 469 N N 4.129 122.810 118.700 -0.032 0.000 2.467 469 N HA 0.464 5.204 4.740 -0.000 0.000 0.278 469 N C -0.651 174.834 175.510 -0.042 0.000 1.306 469 N CA 0.144 53.175 53.050 -0.033 0.000 0.905 469 N CB 0.985 39.456 38.487 -0.026 0.000 1.236 469 N HN 0.441 nan 8.380 nan 0.000 0.509 470 I N 0.185 120.723 120.570 -0.053 0.000 2.787 470 I HA 0.100 4.270 4.170 -0.000 0.000 0.294 470 I C -0.838 175.225 176.117 -0.089 0.000 1.365 470 I CA -0.730 60.527 61.300 -0.072 0.000 1.029 470 I CB 2.766 40.718 38.000 -0.080 0.000 1.313 470 I HN -0.125 nan 8.210 nan 0.000 0.431 471 N N 5.310 123.948 118.700 -0.103 0.000 2.602 471 N HA 0.140 4.880 4.740 -0.000 0.000 0.238 471 N C 0.776 176.174 175.510 -0.187 0.000 1.084 471 N CA 0.100 53.083 53.050 -0.111 0.000 0.952 471 N CB 0.761 39.202 38.487 -0.078 0.000 1.244 471 N HN 0.617 nan 8.380 nan 0.000 0.512 472 E N 1.915 121.971 120.200 -0.240 0.000 2.108 472 E HA -0.276 4.074 4.350 -0.000 0.000 0.203 472 E C 0.832 177.067 176.600 -0.610 0.000 1.022 472 E CA 1.449 57.569 56.400 -0.467 0.000 0.823 472 E CB 0.124 29.548 29.700 -0.460 0.000 0.744 472 E HN 0.583 nan 8.360 nan 0.000 0.456 473 N N 0.438 118.956 118.700 -0.303 0.000 2.188 473 N HA -0.114 4.626 4.740 -0.000 0.000 0.184 473 N C 1.716 177.204 175.510 -0.037 0.000 1.018 473 N CA 1.253 54.250 53.050 -0.088 0.000 0.858 473 N CB -0.385 38.093 38.487 -0.014 0.000 0.989 473 N HN 0.170 nan 8.380 nan 0.000 0.426 474 A N 0.931 123.673 122.820 -0.131 0.000 1.933 474 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 474 A C 2.025 179.618 177.584 0.016 0.000 1.175 474 A CA 1.564 53.507 52.037 -0.157 0.000 0.628 474 A CB -0.471 18.284 19.000 -0.409 0.000 0.814 474 A HN 0.208 nan 8.150 nan 0.000 0.444 475 D N -1.346 119.012 120.400 -0.070 0.000 2.149 475 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 475 D C 1.587 177.964 176.300 0.129 0.000 0.972 475 D CA 0.927 54.922 54.000 -0.008 0.000 0.835 475 D CB -0.116 40.605 40.800 -0.132 0.000 0.966 475 D HN 0.315 nan 8.370 nan 0.000 0.476 476 F N 1.368 121.344 119.950 0.043 0.000 2.102 476 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 476 F C 2.541 178.374 175.800 0.055 0.000 1.105 476 F CA 0.396 58.416 58.000 0.034 0.000 1.239 476 F CB -0.959 38.049 39.000 0.012 0.000 0.991 476 F HN -0.021 nan 8.300 nan 0.000 0.474 477 I N -0.251 120.498 120.570 0.299 0.000 2.179 477 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 477 I C 2.459 178.693 176.117 0.195 0.000 1.088 477 I CA 1.678 63.113 61.300 0.225 0.000 1.357 477 I CB -0.523 37.648 38.000 0.285 0.000 1.051 477 I HN 0.174 nan 8.210 nan 0.000 0.409 478 E N 1.092 121.460 120.200 0.280 0.000 2.110 478 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 478 E C 2.117 178.789 176.600 0.119 0.000 0.988 478 E CA 1.049 57.573 56.400 0.207 0.000 0.804 478 E CB 0.220 30.098 29.700 0.296 0.000 0.745 478 E HN 0.243 nan 8.360 nan 0.000 0.458 479 K N 0.035 120.519 120.400 0.141 0.000 2.097 479 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 479 K C 1.949 178.590 176.600 0.068 0.000 1.050 479 K CA 1.063 57.413 56.287 0.106 0.000 0.938 479 K CB -0.327 32.261 32.500 0.146 0.000 0.718 479 K HN 0.156 nan 8.250 nan 0.000 0.442 480 A N 0.199 123.061 122.820 0.070 0.000 2.172 480 A HA 0.110 4.430 4.320 -0.000 0.000 0.216 480 A C 1.460 179.053 177.584 0.015 0.000 1.154 480 A CA 1.457 53.513 52.037 0.032 0.000 0.701 480 A CB -0.408 18.608 19.000 0.027 0.000 0.789 480 A HN 0.424 nan 8.150 nan 0.000 0.465 481 G N -2.672 106.137 108.800 0.014 0.000 2.157 481 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.248 481 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.248 481 G C 1.121 176.003 174.900 -0.029 0.000 0.979 481 G CA 0.530 45.624 45.100 -0.010 0.000 0.650 481 G HN 1.290 nan 8.290 nan 0.000 0.529 482 G N -0.149 108.635 108.800 -0.027 0.000 2.572 482 G HA2 0.200 4.160 3.960 -0.000 0.000 0.216 482 G HA3 0.200 4.160 3.960 -0.000 0.000 0.216 482 G C 1.512 176.331 174.900 -0.134 0.000 1.133 482 G CA 1.389 46.459 45.100 -0.050 0.000 0.791 482 G HN 0.564 nan 8.290 nan 0.000 0.538 483 M N 0.396 119.869 119.600 -0.212 0.000 2.067 483 M HA -0.027 4.453 4.480 -0.000 0.000 0.260 483 M C 2.449 178.599 176.300 -0.251 0.000 1.069 483 M CA 2.065 57.083 55.300 -0.470 0.000 1.117 483 M CB -0.180 32.140 32.600 -0.467 0.000 1.334 483 M HN 0.378 nan 8.290 nan 0.000 0.407 484 E N 0.266 120.385 120.200 -0.135 0.000 2.077 484 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 484 E C 1.806 178.427 176.600 0.036 0.000 0.989 484 E CA 1.529 57.907 56.400 -0.036 0.000 0.800 484 E CB -0.010 29.666 29.700 -0.041 0.000 0.746 484 E HN 0.529 nan 8.360 nan 0.000 0.452 485 K N 0.195 120.584 120.400 -0.019 0.000 2.057 485 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 485 K C 2.244 178.826 176.600 -0.031 0.000 1.049 485 K CA 1.430 57.706 56.287 -0.018 0.000 0.931 485 K CB -0.120 32.362 32.500 -0.029 0.000 0.714 485 K HN 0.253 nan 8.250 nan 0.000 0.440 486 I N 0.337 120.873 120.570 -0.056 0.000 2.226 486 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 486 I C 2.227 178.308 176.117 -0.059 0.000 1.100 486 I CA 1.004 62.263 61.300 -0.068 0.000 1.374 486 I CB -0.241 37.697 38.000 -0.103 0.000 1.057 486 I HN 0.061 nan 8.210 nan 0.000 0.413 487 F N 2.569 122.417 119.950 -0.169 0.000 2.091 487 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 487 F C 2.275 177.986 175.800 -0.148 0.000 1.103 487 F CA 1.881 59.789 58.000 -0.153 0.000 1.228 487 F CB -0.520 38.404 39.000 -0.128 0.000 0.984 487 F HN 0.095 nan 8.300 nan 0.000 0.477 488 N N -0.092 118.561 118.700 -0.079 0.000 2.205 488 N HA -0.204 4.535 4.740 -0.000 0.000 0.186 488 N C 1.907 177.288 175.510 -0.215 0.000 1.015 488 N CA 1.652 54.612 53.050 -0.149 0.000 0.862 488 N CB -1.211 37.257 38.487 -0.031 0.000 0.986 488 N HN 0.347 nan 8.380 nan 0.000 0.429 489 C N 1.033 120.223 119.300 -0.183 0.000 2.422 489 C HA -0.057 4.402 4.460 -0.000 0.000 0.286 489 C C 2.275 177.135 174.990 -0.216 0.000 1.412 489 C CA 0.187 59.113 59.018 -0.153 0.000 1.786 489 C CB -1.193 26.483 27.740 -0.107 0.000 1.835 489 C HN 0.513 nan 8.230 nan 0.000 0.533 490 Q N 0.068 119.608 119.800 -0.434 0.000 2.364 490 Q HA -0.154 4.186 4.340 -0.000 0.000 0.209 490 Q C 1.596 177.348 176.000 -0.414 0.000 0.977 490 Q CA 0.964 56.356 55.803 -0.684 0.000 0.885 490 Q CB -0.127 27.829 28.738 -1.303 0.000 0.941 490 Q HN 0.762 nan 8.270 nan 0.000 0.464 491 Q N 0.206 119.836 119.800 -0.284 0.000 2.204 491 Q HA 0.113 4.453 4.340 -0.000 0.000 0.209 491 Q C -0.107 175.844 176.000 -0.081 0.000 0.861 491 Q CA -0.337 55.358 55.803 -0.180 0.000 0.971 491 Q CB 0.328 28.970 28.738 -0.159 0.000 1.095 491 Q HN 0.210 nan 8.270 nan 0.000 0.486 492 N N 2.071 120.759 118.700 -0.020 0.000 2.525 492 N HA -0.060 4.680 4.740 -0.000 0.000 0.271 492 N C 1.037 176.630 175.510 0.138 0.000 1.194 492 N CA 0.318 53.392 53.050 0.041 0.000 0.964 492 N CB 1.121 39.631 38.487 0.038 0.000 1.126 492 N HN 0.202 nan 8.380 nan 0.000 0.452 493 E N 1.929 122.188 120.200 0.100 0.000 2.274 493 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 493 E C -0.098 176.615 176.600 0.187 0.000 0.996 493 E CA 0.492 56.970 56.400 0.131 0.000 0.840 493 E CB -0.295 29.445 29.700 0.067 0.000 0.772 493 E HN 0.431 nan 8.360 nan 0.000 0.491 494 N N 2.179 120.951 118.700 0.120 0.000 2.452 494 N HA -0.027 4.713 4.740 -0.000 0.000 0.266 494 N C -0.303 175.137 175.510 -0.118 0.000 1.175 494 N CA 0.175 53.241 53.050 0.027 0.000 0.945 494 N CB 1.111 39.594 38.487 -0.007 0.000 1.063 494 N HN -0.040 nan 8.380 nan 0.000 0.472 495 D N 3.036 123.292 120.400 -0.239 0.000 2.106 495 D HA -0.194 4.446 4.640 -0.000 0.000 0.191 495 D C 1.312 177.221 176.300 -0.651 0.000 0.997 495 D CA 1.814 55.399 54.000 -0.691 0.000 0.834 495 D CB 0.237 40.864 40.800 -0.288 0.000 0.956 495 D HN 0.597 nan 8.370 nan 0.000 0.448 496 K N 0.082 120.303 120.400 -0.298 0.000 2.152 496 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 496 K C 2.079 178.574 176.600 -0.176 0.000 1.048 496 K CA 0.754 56.926 56.287 -0.192 0.000 0.933 496 K CB -0.063 32.377 32.500 -0.099 0.000 0.721 496 K HN 0.283 nan 8.250 nan 0.000 0.447 497 I N 0.347 120.812 120.570 -0.176 0.000 2.206 497 I HA -0.259 3.911 4.170 -0.000 0.000 0.239 497 I C 2.514 178.588 176.117 -0.071 0.000 1.078 497 I CA 1.048 62.290 61.300 -0.097 0.000 1.367 497 I CB -0.497 37.474 38.000 -0.050 0.000 1.078 497 I HN 0.147 nan 8.210 nan 0.000 0.413 498 Y N 1.524 121.799 120.300 -0.041 0.000 2.274 498 Y HA -0.140 4.410 4.550 0.000 0.000 0.290 498 Y C 2.099 178.017 175.900 0.029 0.000 1.145 498 Y CA 0.776 58.824 58.100 -0.087 0.000 1.203 498 Y CB -1.358 37.066 38.460 -0.059 0.000 0.984 498 Y HN 0.196 nan 8.280 nan 0.000 0.533 499 E N 0.667 120.861 120.200 -0.011 0.000 2.051 499 E HA -0.209 4.140 4.350 -0.000 0.000 0.192 499 E C 2.043 178.725 176.600 0.136 0.000 0.991 499 E CA 1.423 57.911 56.400 0.146 0.000 0.799 499 E CB -0.165 29.498 29.700 -0.062 0.000 0.748 499 E HN 0.335 nan 8.360 nan 0.000 0.449 500 K N 1.223 121.644 120.400 0.034 0.000 2.044 500 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 500 K C 1.904 178.548 176.600 0.075 0.000 1.049 500 K CA 1.584 57.899 56.287 0.047 0.000 0.927 500 K CB -0.436 32.064 32.500 0.001 0.000 0.713 500 K HN 0.128 nan 8.250 nan 0.000 0.443 501 A N -0.453 122.382 122.820 0.024 0.000 1.858 501 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 501 A C 2.143 179.742 177.584 0.024 0.000 1.190 501 A CA 1.717 53.735 52.037 -0.032 0.000 0.617 501 A CB -1.093 17.799 19.000 -0.180 0.000 0.827 501 A HN 0.421 nan 8.150 nan 0.000 0.443 502 Y N 0.525 120.880 120.300 0.091 0.000 2.165 502 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 502 Y C 2.434 178.404 175.900 0.117 0.000 1.155 502 Y CA 1.829 59.987 58.100 0.096 0.000 1.164 502 Y CB -0.358 38.160 38.460 0.097 0.000 0.978 502 Y HN 0.301 nan 8.280 nan 0.000 0.513 503 K N -0.105 120.460 120.400 0.274 0.000 2.032 503 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 503 K C 2.048 178.787 176.600 0.232 0.000 1.048 503 K CA 1.884 58.292 56.287 0.201 0.000 0.927 503 K CB -0.449 32.145 32.500 0.157 0.000 0.712 503 K HN 0.286 nan 8.250 nan 0.000 0.441 504 I N 1.129 121.862 120.570 0.272 0.000 2.113 504 I HA -0.291 3.879 4.170 -0.000 0.000 0.238 504 I C 2.276 178.698 176.117 0.507 0.000 1.070 504 I CA 0.970 62.519 61.300 0.414 0.000 1.332 504 I CB -0.334 37.851 38.000 0.308 0.000 1.044 504 I HN 0.119 nan 8.210 nan 0.000 0.402 505 I N 0.733 121.537 120.570 0.389 0.000 2.151 505 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 505 I C 2.549 178.894 176.117 0.379 0.000 1.080 505 I CA 1.711 63.267 61.300 0.427 0.000 1.339 505 I CB -1.301 36.886 38.000 0.312 0.000 1.039 505 I HN 0.415 nan 8.210 nan 0.000 0.409 506 E N 0.556 120.919 120.200 0.272 0.000 2.031 506 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 506 E C 2.080 178.725 176.600 0.074 0.000 0.994 506 E CA 2.144 58.645 56.400 0.168 0.000 0.800 506 E CB 0.109 29.888 29.700 0.132 0.000 0.752 506 E HN 0.407 nan 8.360 nan 0.000 0.447 507 T N -0.493 114.068 114.554 0.011 0.000 2.788 507 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 507 T C 0.881 175.268 174.700 -0.522 0.000 1.044 507 T CA 1.439 63.363 62.100 -0.293 0.000 1.139 507 T CB -0.176 68.414 68.868 -0.463 0.000 0.867 507 T HN 0.310 nan 8.240 nan 0.000 0.454 508 Y N -1.748 118.546 120.300 -0.010 0.000 2.471 508 Y HA 0.419 4.969 4.550 -0.000 0.000 0.249 508 Y C 0.453 175.995 175.900 -0.597 0.000 1.116 508 Y CA -0.804 57.111 58.100 -0.307 0.000 1.240 508 Y CB 0.590 38.780 38.460 -0.450 0.000 1.251 508 Y HN 0.104 nan 8.280 nan 0.000 0.527 509 F N 0.079 120.121 119.950 0.153 0.000 2.841 509 F HA 0.580 5.107 4.527 -0.000 0.000 0.358 509 F C 0.902 176.740 175.800 0.063 0.000 1.261 509 F CA -0.904 57.156 58.000 0.101 0.000 1.233 509 F CB 0.346 39.408 39.000 0.105 0.000 1.008 509 F HN -0.086 nan 8.300 nan 0.000 0.507 510 G N 0.000 108.873 108.800 0.122 0.000 5.446 510 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 510 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 510 G CA 0.000 45.151 45.100 0.084 0.000 0.502 510 G HN 0.000 nan 8.290 nan 0.000 0.925