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_B 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 0.028 0.000 1.165 89 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 89 L CB 0.000 42.057 42.059 -0.004 0.000 0.961 90 P HA -0.113 nan 4.420 nan 0.000 0.217 90 P C 1.283 178.612 177.300 0.050 0.000 1.150 90 P CA 1.357 64.484 63.100 0.044 0.000 0.832 90 P CB 0.150 31.865 31.700 0.026 0.000 0.787 91 Q N -1.098 118.716 119.800 0.024 0.000 2.050 91 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 91 Q C 2.228 178.257 176.000 0.047 0.000 0.980 91 Q CA 1.465 57.282 55.803 0.023 0.000 0.840 91 Q CB -0.561 28.175 28.738 -0.003 0.000 0.898 91 Q HN 0.287 nan 8.270 nan 0.000 0.424 92 M N 0.014 119.630 119.600 0.027 0.000 2.086 92 M HA -0.149 4.331 4.480 0.000 0.000 0.261 92 M C 2.215 178.712 176.300 0.329 0.000 1.067 92 M CA 1.478 56.826 55.300 0.080 0.000 1.116 92 M CB -0.405 32.031 32.600 -0.274 0.000 1.348 92 M HN 0.162 nan 8.290 nan 0.000 0.407 93 T N 0.420 115.184 114.554 0.349 0.000 2.778 93 T HA -0.203 4.147 4.350 0.000 0.000 0.269 93 T C 1.749 176.548 174.700 0.164 0.000 1.050 93 T CA 1.310 63.592 62.100 0.303 0.000 1.137 93 T CB -0.270 68.721 68.868 0.204 0.000 0.860 93 T HN 0.495 nan 8.240 nan 0.000 0.468 94 Q N 0.652 120.530 119.800 0.130 0.000 1.994 94 Q HA -0.075 4.265 4.340 0.000 0.000 0.198 94 Q C 2.690 178.748 176.000 0.097 0.000 0.976 94 Q CA 1.091 56.946 55.803 0.088 0.000 0.828 94 Q CB -0.202 28.574 28.738 0.063 0.000 0.894 94 Q HN 0.579 nan 8.270 nan 0.000 0.432 95 Q N 0.437 120.303 119.800 0.110 0.000 2.096 95 Q HA -0.229 4.111 4.340 0.000 0.000 0.208 95 Q C 2.235 178.317 176.000 0.136 0.000 0.993 95 Q CA 1.318 57.185 55.803 0.106 0.000 0.862 95 Q CB -0.294 28.508 28.738 0.107 0.000 0.915 95 Q HN 0.237 nan 8.270 nan 0.000 0.416 96 L N 1.505 122.845 121.223 0.194 0.000 2.043 96 L HA -0.219 4.121 4.340 0.000 0.000 0.212 96 L C 1.461 178.450 176.870 0.199 0.000 1.075 96 L CA 1.712 56.683 54.840 0.219 0.000 0.752 96 L CB -0.369 41.767 42.059 0.129 0.000 0.891 96 L HN 0.217 nan 8.230 nan 0.000 0.432 97 N N -0.897 117.873 118.700 0.115 0.000 2.461 97 N HA -0.021 4.719 4.740 0.000 0.000 0.188 97 N C 0.740 176.302 175.510 0.087 0.000 1.134 97 N CA 0.396 53.495 53.050 0.082 0.000 0.878 97 N CB -0.112 38.398 38.487 0.040 0.000 0.972 97 N HN 0.322 nan 8.380 nan 0.000 0.456 98 S N 0.563 116.320 115.700 0.095 0.000 2.584 98 S HA 0.028 4.498 4.470 0.000 0.000 0.270 98 S C 0.726 175.369 174.600 0.071 0.000 1.346 98 S CA -0.206 58.035 58.200 0.068 0.000 1.018 98 S CB 0.902 64.135 63.200 0.055 0.000 0.899 98 S HN 0.107 nan 8.310 nan 0.000 0.542 99 D N 0.588 121.017 120.400 0.047 0.000 2.349 99 D HA 0.072 4.712 4.640 0.000 0.000 0.214 99 D C -0.310 176.003 176.300 0.022 0.000 1.063 99 D CA 0.132 54.157 54.000 0.042 0.000 0.847 99 D CB 0.001 40.820 40.800 0.032 0.000 0.933 99 D HN 0.531 nan 8.370 nan 0.000 0.513 100 D N 1.558 121.966 120.400 0.014 0.000 2.352 100 D HA -0.005 4.635 4.640 0.000 0.000 0.245 100 D C 1.387 177.671 176.300 -0.027 0.000 1.224 100 D CA -0.271 53.727 54.000 -0.003 0.000 0.879 100 D CB 1.134 41.935 40.800 0.001 0.000 1.057 100 D HN -0.179 nan 8.370 nan 0.000 0.491 101 M N 4.226 123.800 119.600 -0.042 0.000 2.151 101 M HA -0.288 4.192 4.480 0.000 0.000 0.256 101 M C 1.893 178.138 176.300 -0.092 0.000 1.072 101 M CA 2.003 57.251 55.300 -0.086 0.000 1.090 101 M CB -0.511 32.049 32.600 -0.066 0.000 1.294 101 M HN 0.562 nan 8.290 nan 0.000 0.415 102 Q N -0.692 119.075 119.800 -0.055 0.000 2.152 102 Q HA -0.269 4.071 4.340 0.000 0.000 0.206 102 Q C 2.065 178.042 176.000 -0.038 0.000 0.985 102 Q CA 2.222 57.999 55.803 -0.043 0.000 0.863 102 Q CB -0.246 28.477 28.738 -0.025 0.000 0.904 102 Q HN 0.799 nan 8.270 nan 0.000 0.422 103 E N -0.569 119.614 120.200 -0.029 0.000 2.112 103 E HA -0.173 4.177 4.350 0.000 0.000 0.190 103 E C 1.964 178.558 176.600 -0.009 0.000 0.979 103 E CA 0.703 57.098 56.400 -0.008 0.000 0.814 103 E CB 0.162 29.868 29.700 0.010 0.000 0.762 103 E HN 0.470 nan 8.360 nan 0.000 0.460 104 Q N 0.258 120.024 119.800 -0.057 0.000 2.050 104 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 104 Q C 2.335 178.244 176.000 -0.152 0.000 0.980 104 Q CA 1.173 56.908 55.803 -0.114 0.000 0.840 104 Q CB -0.192 28.336 28.738 -0.350 0.000 0.898 104 Q HN 0.242 nan 8.270 nan 0.000 0.424 105 L N 0.701 121.820 121.223 -0.173 0.000 2.042 105 L HA -0.185 4.155 4.340 0.000 0.000 0.210 105 L C 2.409 179.261 176.870 -0.030 0.000 1.076 105 L CA 2.055 56.825 54.840 -0.118 0.000 0.749 105 L CB -0.890 41.111 42.059 -0.097 0.000 0.893 105 L HN 0.126 nan 8.230 nan 0.000 0.432 106 S N -0.983 114.708 115.700 -0.015 0.000 2.370 106 S HA -0.187 4.283 4.470 0.000 0.000 0.226 106 S C 2.099 176.726 174.600 0.045 0.000 1.033 106 S CA 1.336 59.542 58.200 0.009 0.000 1.011 106 S CB -0.413 62.791 63.200 0.006 0.000 0.852 106 S HN 0.655 nan 8.310 nan 0.000 0.457 107 A N 0.342 123.217 122.820 0.092 0.000 1.872 107 A HA 0.011 4.331 4.320 0.000 0.000 0.214 107 A C 2.381 180.167 177.584 0.338 0.000 1.187 107 A CA 1.992 54.155 52.037 0.209 0.000 0.614 107 A CB -1.478 17.686 19.000 0.275 0.000 0.826 107 A HN 0.569 nan 8.150 nan 0.000 0.442 108 T N -0.051 114.653 114.554 0.250 0.000 2.746 108 T HA -0.127 4.223 4.350 0.000 0.000 0.267 108 T C 1.870 176.673 174.700 0.172 0.000 1.039 108 T CA 1.568 63.822 62.100 0.256 0.000 1.142 108 T CB -0.444 68.529 68.868 0.176 0.000 0.866 108 T HN 0.142 nan 8.240 nan 0.000 0.444 109 V N 1.580 121.542 119.914 0.080 0.000 2.332 109 V HA -0.233 3.887 4.120 0.000 0.000 0.248 109 V C 2.451 178.525 176.094 -0.032 0.000 1.055 109 V CA 1.661 63.960 62.300 -0.002 0.000 1.038 109 V CB -0.505 31.310 31.823 -0.013 0.000 0.651 109 V HN 0.511 nan 8.190 nan 0.000 0.450 110 K N -0.653 119.746 120.400 -0.002 0.000 2.002 110 K HA -0.148 4.172 4.320 0.000 0.000 0.209 110 K C 2.078 178.606 176.600 -0.119 0.000 1.048 110 K CA 1.779 58.012 56.287 -0.089 0.000 0.930 110 K CB -0.411 32.005 32.500 -0.140 0.000 0.714 110 K HN 0.373 nan 8.250 nan 0.000 0.438 111 F N 1.372 121.301 119.950 -0.035 0.000 2.216 111 F HA -0.140 4.387 4.527 0.000 0.000 0.300 111 F C 2.624 178.380 175.800 -0.073 0.000 1.085 111 F CA 1.116 59.099 58.000 -0.028 0.000 1.326 111 F CB -0.165 38.841 39.000 0.010 0.000 1.027 111 F HN 0.021 nan 8.300 nan 0.000 0.497 112 R N 0.606 121.130 120.500 0.041 0.000 2.075 112 R HA -0.166 4.174 4.340 0.000 0.000 0.232 112 R C 2.021 178.138 176.300 -0.305 0.000 1.126 112 R CA 1.638 57.623 56.100 -0.192 0.000 0.963 112 R CB -0.314 29.773 30.300 -0.354 0.000 0.858 112 R HN 0.351 nan 8.270 nan 0.000 0.435 113 Q N 0.444 120.099 119.800 -0.242 0.000 2.079 113 Q HA -0.136 4.204 4.340 0.000 0.000 0.200 113 Q C 2.242 178.168 176.000 -0.124 0.000 0.974 113 Q CA 1.864 57.541 55.803 -0.209 0.000 0.840 113 Q CB -0.211 28.432 28.738 -0.158 0.000 0.898 113 Q HN 0.547 nan 8.270 nan 0.000 0.430 114 I N -2.287 118.223 120.570 -0.099 0.000 2.439 114 I HA -0.153 4.017 4.170 0.000 0.000 0.251 114 I C 1.757 177.863 176.117 -0.017 0.000 1.139 114 I CA 1.126 62.390 61.300 -0.060 0.000 1.438 114 I CB -0.296 37.654 38.000 -0.084 0.000 1.085 114 I HN 0.057 nan 8.210 nan 0.000 0.427 115 L N 0.862 122.080 121.223 -0.007 0.000 2.551 115 L HA 0.024 4.364 4.340 0.000 0.000 0.228 115 L C 1.946 178.836 176.870 0.034 0.000 1.153 115 L CA 0.430 55.292 54.840 0.036 0.000 0.851 115 L CB -0.309 41.792 42.059 0.070 0.000 0.959 115 L HN 0.233 nan 8.230 nan 0.000 0.451 116 S N -1.030 114.659 115.700 -0.019 0.000 2.556 116 S HA 0.143 4.613 4.470 0.000 0.000 0.216 116 S C 0.692 175.308 174.600 0.027 0.000 0.970 116 S CA -0.328 57.882 58.200 0.017 0.000 0.912 116 S CB -0.018 63.145 63.200 -0.062 0.000 0.790 116 S HN 0.305 nan 8.310 nan 0.000 0.504 117 R N 1.881 122.394 120.500 0.020 0.000 2.585 117 R HA 0.030 4.370 4.340 0.000 0.000 0.275 117 R C 0.782 177.083 176.300 0.001 0.000 1.018 117 R CA 0.362 56.476 56.100 0.023 0.000 1.072 117 R CB 0.301 30.643 30.300 0.069 0.000 0.953 117 R HN 0.449 nan 8.270 nan 0.000 0.419 118 E N 1.547 121.689 120.200 -0.096 0.000 2.230 118 E HA -0.108 4.242 4.350 0.000 0.000 0.192 118 E C 1.141 177.668 176.600 -0.122 0.000 0.987 118 E CA 0.523 56.845 56.400 -0.129 0.000 0.841 118 E CB 0.117 29.689 29.700 -0.214 0.000 0.783 118 E HN 0.547 nan 8.360 nan 0.000 0.481 119 H N 0.926 120.009 119.070 0.023 0.000 2.716 119 H HA 0.030 4.586 4.556 -0.000 0.000 0.303 119 H C 1.037 176.379 175.328 0.023 0.000 1.022 119 H CA 1.094 57.154 56.048 0.019 0.000 1.149 119 H CB 0.026 29.796 29.762 0.012 0.000 1.499 119 H HN -0.055 nan 8.280 nan 0.000 0.698 120 R N 1.538 122.150 120.500 0.187 0.000 2.721 120 R HA 0.201 4.541 4.340 0.000 0.000 0.272 120 R C -2.853 173.498 176.300 0.085 0.000 1.721 120 R CA -1.583 54.579 56.100 0.103 0.000 1.325 120 R CB 1.119 31.466 30.300 0.078 0.000 1.271 120 R HN 0.196 nan 8.270 nan 0.000 0.556 121 P HA 0.067 nan 4.420 nan 0.000 0.263 121 P C -2.299 175.035 177.300 0.057 0.000 1.195 121 P CA -0.873 62.266 63.100 0.065 0.000 0.762 121 P CB 0.828 32.569 31.700 0.068 0.000 0.799 122 P HA 0.039 nan 4.420 nan 0.000 0.251 122 P C 1.279 178.614 177.300 0.058 0.000 1.624 122 P CA 0.046 63.172 63.100 0.043 0.000 0.907 122 P CB -0.416 31.301 31.700 0.028 0.000 1.867 123 I N 0.190 120.797 120.570 0.062 0.000 2.127 123 I HA -0.251 3.919 4.170 0.000 0.000 0.241 123 I C 2.021 178.177 176.117 0.064 0.000 1.075 123 I CA 1.551 62.893 61.300 0.070 0.000 1.334 123 I CB -0.533 37.506 38.000 0.066 0.000 1.040 123 I HN 0.089 nan 8.210 nan 0.000 0.405 124 D N 0.322 120.752 120.400 0.051 0.000 2.149 124 D HA -0.168 4.472 4.640 0.000 0.000 0.198 124 D C 2.215 178.542 176.300 0.046 0.000 0.990 124 D CA 1.219 55.245 54.000 0.043 0.000 0.839 124 D CB -0.227 40.593 40.800 0.034 0.000 0.948 124 D HN 0.232 nan 8.370 nan 0.000 0.460 125 V N 0.650 120.594 119.914 0.049 0.000 2.548 125 V HA -0.168 3.952 4.120 0.000 0.000 0.249 125 V C 2.393 178.535 176.094 0.079 0.000 1.055 125 V CA 1.022 63.353 62.300 0.052 0.000 1.065 125 V CB -0.016 31.832 31.823 0.043 0.000 0.681 125 V HN -0.021 nan 8.190 nan 0.000 0.462 126 V N 0.360 120.336 119.914 0.103 0.000 2.343 126 V HA -0.236 3.884 4.120 0.000 0.000 0.247 126 V C 2.243 178.397 176.094 0.099 0.000 1.051 126 V CA 2.510 64.908 62.300 0.163 0.000 1.036 126 V CB -0.482 31.459 31.823 0.196 0.000 0.654 126 V HN 0.517 nan 8.190 nan 0.000 0.451 127 I N -0.462 120.147 120.570 0.065 0.000 2.394 127 I HA -0.246 3.924 4.170 0.000 0.000 0.251 127 I C 2.518 178.652 176.117 0.028 0.000 1.136 127 I CA 1.315 62.636 61.300 0.034 0.000 1.425 127 I CB -0.417 37.602 38.000 0.032 0.000 1.079 127 I HN 0.353 nan 8.210 nan 0.000 0.425 128 Q N 0.695 120.518 119.800 0.038 0.000 2.291 128 Q HA -0.063 4.277 4.340 0.000 0.000 0.205 128 Q C 2.218 178.240 176.000 0.036 0.000 0.970 128 Q CA 1.205 57.027 55.803 0.031 0.000 0.876 128 Q CB -0.086 28.671 28.738 0.032 0.000 0.935 128 Q HN 0.554 nan 8.270 nan 0.000 0.455 129 A N 0.039 122.892 122.820 0.056 0.000 2.208 129 A HA 0.231 4.551 4.320 0.000 0.000 0.209 129 A C 1.579 179.179 177.584 0.027 0.000 1.161 129 A CA 0.738 52.816 52.037 0.068 0.000 0.782 129 A CB -0.355 18.733 19.000 0.148 0.000 0.816 129 A HN 0.431 nan 8.150 nan 0.000 0.477 130 G N -0.859 107.942 108.800 0.001 0.000 2.168 130 G HA2 -0.282 3.678 3.960 0.000 0.000 0.257 130 G HA3 -0.282 3.678 3.960 0.000 0.000 0.257 130 G C 0.920 175.771 174.900 -0.082 0.000 0.997 130 G CA 1.046 46.126 45.100 -0.033 0.000 0.708 130 G HN 1.570 nan 8.290 nan 0.000 0.520 131 V N -2.347 117.494 119.914 -0.122 0.000 3.646 131 V HA 0.320 4.440 4.120 0.000 0.000 0.277 131 V C 2.194 178.128 176.094 -0.267 0.000 1.274 131 V CA 1.022 63.171 62.300 -0.253 0.000 1.164 131 V CB 0.077 31.599 31.823 -0.503 0.000 0.926 131 V HN 0.212 nan 8.190 nan 0.000 0.442 132 V N 1.824 121.638 119.914 -0.168 0.000 2.223 132 V HA -0.089 4.031 4.120 0.000 0.000 0.244 132 V C 0.785 176.773 176.094 -0.177 0.000 1.045 132 V CA 2.842 65.056 62.300 -0.143 0.000 1.000 132 V CB -1.592 30.186 31.823 -0.075 0.000 0.635 132 V HN 0.529 nan 8.190 nan 0.000 0.445 133 P HA -0.231 nan 4.420 nan 0.000 0.217 133 P C 1.481 178.626 177.300 -0.259 0.000 1.148 133 P CA 1.641 64.638 63.100 -0.173 0.000 0.828 133 P CB -0.040 31.582 31.700 -0.129 0.000 0.783 134 R N 0.637 120.943 120.500 -0.324 0.000 2.066 134 R HA -0.005 4.335 4.340 0.000 0.000 0.232 134 R C 2.580 178.387 176.300 -0.821 0.000 1.131 134 R CA 1.268 57.055 56.100 -0.522 0.000 0.955 134 R CB -1.680 28.350 30.300 -0.450 0.000 0.851 134 R HN 0.142 nan 8.270 nan 0.000 0.432 135 L N -0.138 120.752 121.223 -0.555 0.000 2.131 135 L HA -0.144 4.196 4.340 0.000 0.000 0.210 135 L C 2.243 178.934 176.870 -0.298 0.000 1.092 135 L CA 0.966 55.570 54.840 -0.393 0.000 0.759 135 L CB -0.435 41.513 42.059 -0.185 0.000 0.903 135 L HN 0.043 nan 8.230 nan 0.000 0.435 136 V N -0.226 119.515 119.914 -0.288 0.000 2.407 136 V HA -0.254 3.866 4.120 0.000 0.000 0.248 136 V C 2.344 178.308 176.094 -0.218 0.000 1.055 136 V CA 1.660 63.818 62.300 -0.237 0.000 1.049 136 V CB -0.496 31.202 31.823 -0.208 0.000 0.662 136 V HN 0.467 nan 8.190 nan 0.000 0.455 137 E N -0.032 119.986 120.200 -0.302 0.000 2.085 137 E HA -0.219 4.131 4.350 0.000 0.000 0.194 137 E C 1.944 178.528 176.600 -0.028 0.000 0.994 137 E CA 1.458 57.728 56.400 -0.217 0.000 0.801 137 E CB -0.232 29.273 29.700 -0.326 0.000 0.743 137 E HN 0.591 nan 8.360 nan 0.000 0.453 138 F N -0.052 119.866 119.950 -0.054 0.000 2.722 138 F HA -0.022 4.505 4.527 0.000 0.000 0.298 138 F C 1.788 177.571 175.800 -0.028 0.000 1.175 138 F CA 0.718 58.699 58.000 -0.033 0.000 1.462 138 F CB -0.437 38.550 39.000 -0.021 0.000 1.111 138 F HN 0.031 nan 8.300 nan 0.000 0.592 139 M N -1.106 118.550 119.600 0.094 0.000 2.428 139 M HA 0.101 4.581 4.480 0.000 0.000 0.239 139 M C 0.624 176.934 176.300 0.016 0.000 1.121 139 M CA 0.084 55.402 55.300 0.031 0.000 1.019 139 M CB 0.128 32.675 32.600 -0.088 0.000 1.485 139 M HN -0.205 nan 8.290 nan 0.000 0.484 140 R N 1.190 121.707 120.500 0.028 0.000 2.734 140 R HA -0.024 4.316 4.340 0.000 0.000 0.266 140 R C 1.171 177.488 176.300 0.028 0.000 1.044 140 R CA 0.039 56.149 56.100 0.017 0.000 1.128 140 R CB 0.481 30.793 30.300 0.020 0.000 1.010 140 R HN 0.235 nan 8.270 nan 0.000 0.461 141 E N 1.738 121.948 120.200 0.017 0.000 2.172 141 E HA -0.349 4.001 4.350 0.000 0.000 0.213 141 E C 0.273 176.886 176.600 0.020 0.000 1.051 141 E CA 1.959 58.369 56.400 0.017 0.000 0.860 141 E CB -0.006 29.696 29.700 0.004 0.000 0.755 141 E HN 0.524 nan 8.360 nan 0.000 0.462 142 N N -0.048 118.664 118.700 0.020 0.000 2.279 142 N HA 0.024 4.764 4.740 0.000 0.000 0.226 142 N C -0.617 174.907 175.510 0.023 0.000 1.126 142 N CA -0.489 52.572 53.050 0.019 0.000 0.846 142 N CB 0.534 39.029 38.487 0.013 0.000 1.050 142 N HN 0.062 nan 8.380 nan 0.000 0.502 143 Q N 0.921 120.741 119.800 0.033 0.000 2.260 143 Q HA 0.320 4.660 4.340 0.000 0.000 0.242 143 Q C -2.344 173.667 176.000 0.017 0.000 0.932 143 Q CA -1.748 54.074 55.803 0.031 0.000 0.891 143 Q CB 0.514 29.290 28.738 0.064 0.000 1.222 143 Q HN 0.054 nan 8.270 nan 0.000 0.453 144 P HA -0.041 nan 4.420 nan 0.000 0.268 144 P C 0.476 177.784 177.300 0.014 0.000 1.205 144 P CA 0.168 63.267 63.100 -0.002 0.000 0.771 144 P CB 0.580 32.265 31.700 -0.024 0.000 0.858 145 E N 2.349 122.564 120.200 0.024 0.000 2.118 145 E HA -0.255 4.095 4.350 0.000 0.000 0.195 145 E C 1.564 178.194 176.600 0.049 0.000 0.992 145 E CA 1.212 57.636 56.400 0.040 0.000 0.804 145 E CB -0.192 29.531 29.700 0.037 0.000 0.741 145 E HN 0.278 nan 8.360 nan 0.000 0.458 146 M N 0.429 120.051 119.600 0.037 0.000 2.117 146 M HA -0.117 4.363 4.480 0.000 0.000 0.262 146 M C 2.016 178.346 176.300 0.050 0.000 1.065 146 M CA 1.129 56.458 55.300 0.048 0.000 1.114 146 M CB -0.302 32.316 32.600 0.029 0.000 1.361 146 M HN 0.301 nan 8.290 nan 0.000 0.408 147 L N -0.031 121.196 121.223 0.008 0.000 2.093 147 L HA -0.177 4.163 4.340 0.000 0.000 0.208 147 L C 2.162 179.071 176.870 0.066 0.000 1.085 147 L CA 1.890 56.715 54.840 -0.025 0.000 0.755 147 L CB -0.745 41.231 42.059 -0.138 0.000 0.904 147 L HN 0.457 nan 8.230 nan 0.000 0.435 148 Q N -1.229 118.620 119.800 0.082 0.000 2.079 148 Q HA -0.212 4.128 4.340 0.000 0.000 0.200 148 Q C 2.166 178.261 176.000 0.159 0.000 0.974 148 Q CA 1.698 57.573 55.803 0.119 0.000 0.840 148 Q CB -0.332 28.462 28.738 0.094 0.000 0.898 148 Q HN 0.453 nan 8.270 nan 0.000 0.430 149 L N 1.174 122.490 121.223 0.155 0.000 2.027 149 L HA -0.169 4.171 4.340 0.000 0.000 0.206 149 L C 2.009 179.064 176.870 0.308 0.000 1.074 149 L CA 1.838 56.800 54.840 0.203 0.000 0.745 149 L CB -0.407 41.754 42.059 0.170 0.000 0.898 149 L HN 0.090 nan 8.230 nan 0.000 0.433 150 E N 0.013 120.371 120.200 0.262 0.000 2.077 150 E HA -0.177 4.173 4.350 0.000 0.000 0.193 150 E C 2.179 178.934 176.600 0.258 0.000 0.989 150 E CA 1.382 57.939 56.400 0.261 0.000 0.800 150 E CB -0.475 29.311 29.700 0.144 0.000 0.746 150 E HN 0.625 nan 8.360 nan 0.000 0.452 151 A N 1.345 124.310 122.820 0.241 0.000 1.898 151 A HA -0.004 4.316 4.320 0.000 0.000 0.216 151 A C 2.409 180.143 177.584 0.251 0.000 1.181 151 A CA 1.865 54.045 52.037 0.239 0.000 0.620 151 A CB -0.516 18.647 19.000 0.271 0.000 0.819 151 A HN 0.259 nan 8.150 nan 0.000 0.442 152 A N -1.426 121.570 122.820 0.293 0.000 1.898 152 A HA -0.149 4.171 4.320 0.000 0.000 0.216 152 A C 2.005 179.878 177.584 0.482 0.000 1.181 152 A CA 1.519 53.809 52.037 0.423 0.000 0.620 152 A CB -0.802 18.453 19.000 0.424 0.000 0.819 152 A HN 0.803 nan 8.150 nan 0.000 0.442 153 W N 0.930 122.351 121.300 0.202 0.000 2.333 153 W HA -0.187 4.473 4.660 -0.000 0.000 0.316 153 W C 2.511 179.133 176.519 0.171 0.000 1.215 153 W CA 1.860 59.306 57.345 0.169 0.000 1.278 153 W CB -0.943 28.594 29.460 0.129 0.000 1.154 153 W HN 0.398 nan 8.180 nan 0.000 0.486 154 A N 0.480 123.515 122.820 0.358 0.000 1.883 154 A HA -0.208 4.112 4.320 0.000 0.000 0.217 154 A C 2.322 180.043 177.584 0.228 0.000 1.186 154 A CA 2.122 54.279 52.037 0.200 0.000 0.624 154 A CB -1.183 17.907 19.000 0.150 0.000 0.822 154 A HN 0.342 nan 8.150 nan 0.000 0.444 155 L N -0.930 120.448 121.223 0.259 0.000 2.201 155 L HA -0.119 4.221 4.340 0.000 0.000 0.212 155 L C 2.634 179.680 176.870 0.293 0.000 1.105 155 L CA 1.500 56.496 54.840 0.260 0.000 0.775 155 L CB -0.720 41.512 42.059 0.288 0.000 0.913 155 L HN 0.337 nan 8.230 nan 0.000 0.440 156 T N -0.715 114.029 114.554 0.317 0.000 2.857 156 T HA -0.082 4.268 4.350 0.000 0.000 0.266 156 T C 1.716 176.516 174.700 0.165 0.000 1.048 156 T CA 0.936 63.139 62.100 0.172 0.000 1.139 156 T CB -0.160 68.824 68.868 0.194 0.000 0.874 156 T HN 0.298 nan 8.240 nan 0.000 0.455 157 N N 1.200 120.059 118.700 0.266 0.000 2.289 157 N HA 0.027 4.767 4.740 0.000 0.000 0.184 157 N C 1.778 177.372 175.510 0.141 0.000 1.016 157 N CA 0.863 54.052 53.050 0.231 0.000 0.872 157 N CB -0.195 38.428 38.487 0.227 0.000 0.973 157 N HN 0.427 nan 8.380 nan 0.000 0.433 158 I N 0.716 121.363 120.570 0.128 0.000 2.277 158 I HA -0.095 4.075 4.170 0.000 0.000 0.243 158 I C 2.192 178.345 176.117 0.060 0.000 1.094 158 I CA 0.564 61.920 61.300 0.094 0.000 1.393 158 I CB -0.289 37.770 38.000 0.098 0.000 1.078 158 I HN -0.006 nan 8.210 nan 0.000 0.417 159 A N 0.588 123.438 122.820 0.050 0.000 2.125 159 A HA -0.152 4.168 4.320 0.000 0.000 0.219 159 A C 2.161 179.690 177.584 -0.092 0.000 1.156 159 A CA 1.767 53.802 52.037 -0.004 0.000 0.671 159 A CB -0.594 18.398 19.000 -0.015 0.000 0.794 159 A HN 0.530 nan 8.150 nan 0.000 0.459 160 S N -1.252 114.376 115.700 -0.120 0.000 2.597 160 S HA 0.429 4.899 4.470 0.000 0.000 0.224 160 S C 1.041 175.615 174.600 -0.043 0.000 0.955 160 S CA 0.178 58.259 58.200 -0.199 0.000 0.933 160 S CB -0.186 62.827 63.200 -0.311 0.000 0.788 160 S HN 0.564 nan 8.310 nan 0.000 0.488 161 G N 1.990 110.792 108.800 0.002 0.000 2.783 161 G HA2 0.445 4.405 3.960 0.000 0.000 0.182 161 G HA3 0.445 4.405 3.960 0.000 0.000 0.182 161 G C 0.309 175.225 174.900 0.026 0.000 1.516 161 G CA 0.055 45.175 45.100 0.032 0.000 1.079 161 G HN 0.527 nan 8.290 nan 0.000 0.573 162 T N -2.470 112.103 114.554 0.031 0.000 2.748 162 T HA 0.213 4.563 4.350 0.000 0.000 0.304 162 T C 1.676 176.393 174.700 0.029 0.000 1.041 162 T CA 0.660 62.776 62.100 0.027 0.000 1.033 162 T CB 1.107 69.990 68.868 0.024 0.000 0.995 162 T HN 0.452 nan 8.240 nan 0.000 0.536 163 S N 0.412 116.124 115.700 0.020 0.000 2.383 163 S HA -0.115 4.355 4.470 0.000 0.000 0.229 163 S C 2.331 176.954 174.600 0.038 0.000 1.030 163 S CA 1.351 59.564 58.200 0.022 0.000 1.002 163 S CB -1.247 61.943 63.200 -0.017 0.000 0.829 163 S HN 0.902 nan 8.310 nan 0.000 0.467 164 A N 1.069 123.904 122.820 0.026 0.000 1.877 164 A HA -0.168 4.152 4.320 0.000 0.000 0.216 164 A C 2.128 179.740 177.584 0.047 0.000 1.186 164 A CA 1.768 53.823 52.037 0.030 0.000 0.620 164 A CB -0.906 18.106 19.000 0.020 0.000 0.822 164 A HN 0.734 nan 8.150 nan 0.000 0.443 165 Q N -0.922 118.905 119.800 0.045 0.000 2.135 165 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 165 Q C 2.117 178.154 176.000 0.062 0.000 0.981 165 Q CA 1.839 57.671 55.803 0.049 0.000 0.856 165 Q CB -0.505 28.260 28.738 0.046 0.000 0.902 165 Q HN 0.665 nan 8.270 nan 0.000 0.425 166 T N 1.190 115.789 114.554 0.075 0.000 2.777 166 T HA -0.157 4.193 4.350 0.000 0.000 0.266 166 T C 1.691 176.475 174.700 0.139 0.000 1.040 166 T CA 1.317 63.478 62.100 0.102 0.000 1.141 166 T CB -0.108 68.841 68.868 0.136 0.000 0.868 166 T HN 0.267 nan 8.240 nan 0.000 0.444 167 K N 0.943 121.448 120.400 0.174 0.000 2.063 167 K HA -0.112 4.208 4.320 0.000 0.000 0.208 167 K C 2.167 178.818 176.600 0.085 0.000 1.048 167 K CA 1.119 57.522 56.287 0.193 0.000 0.928 167 K CB -0.358 32.233 32.500 0.151 0.000 0.713 167 K HN 0.138 nan 8.250 nan 0.000 0.442 168 V N 0.869 120.818 119.914 0.059 0.000 2.231 168 V HA -0.286 3.834 4.120 0.000 0.000 0.248 168 V C 2.393 178.499 176.094 0.020 0.000 1.054 168 V CA 1.922 64.240 62.300 0.030 0.000 1.015 168 V CB -0.416 31.424 31.823 0.028 0.000 0.638 168 V HN 0.194 nan 8.190 nan 0.000 0.444 169 V N -0.330 119.607 119.914 0.038 0.000 2.287 169 V HA -0.248 3.872 4.120 0.000 0.000 0.248 169 V C 2.413 178.525 176.094 0.029 0.000 1.053 169 V CA 2.059 64.388 62.300 0.049 0.000 1.027 169 V CB -0.526 31.364 31.823 0.112 0.000 0.646 169 V HN 0.411 nan 8.190 nan 0.000 0.447 170 V N 0.080 119.993 119.914 -0.002 0.000 2.287 170 V HA -0.285 3.835 4.120 0.000 0.000 0.248 170 V C 2.278 178.327 176.094 -0.074 0.000 1.053 170 V CA 2.296 64.548 62.300 -0.079 0.000 1.027 170 V CB -0.744 30.876 31.823 -0.337 0.000 0.646 170 V HN 0.572 nan 8.190 nan 0.000 0.447 171 D N 0.406 120.772 120.400 -0.057 0.000 2.218 171 D HA -0.108 4.532 4.640 0.000 0.000 0.204 171 D C 1.954 178.227 176.300 -0.046 0.000 0.976 171 D CA 1.513 55.480 54.000 -0.054 0.000 0.853 171 D CB -0.114 40.670 40.800 -0.027 0.000 0.939 171 D HN 0.490 nan 8.370 nan 0.000 0.481 172 A N 0.664 123.460 122.820 -0.040 0.000 2.252 172 A HA -0.065 4.255 4.320 0.000 0.000 0.207 172 A C 0.509 178.059 177.584 -0.058 0.000 1.194 172 A CA 0.494 52.498 52.037 -0.055 0.000 0.809 172 A CB -0.133 18.828 19.000 -0.067 0.000 0.814 172 A HN 0.086 nan 8.150 nan 0.000 0.482 173 D N -2.783 117.598 120.400 -0.032 0.000 2.699 173 D HA -0.210 4.430 4.640 0.000 0.000 0.239 173 D C 0.832 177.111 176.300 -0.036 0.000 1.136 173 D CA 0.975 54.975 54.000 0.000 0.000 0.668 173 D CB -1.273 39.523 40.800 -0.006 0.000 1.060 173 D HN 0.502 nan 8.370 nan 0.000 0.429 174 A N -0.856 121.928 122.820 -0.059 0.000 2.021 174 A HA 0.096 4.417 4.320 0.000 0.000 0.216 174 A C 2.425 179.913 177.584 -0.161 0.000 1.163 174 A CA 1.108 53.009 52.037 -0.227 0.000 0.676 174 A CB -0.064 18.766 19.000 -0.284 0.000 0.818 174 A HN 0.318 nan 8.150 nan 0.000 0.453 175 V N 1.586 121.563 119.914 0.105 0.000 2.252 175 V HA -0.211 3.909 4.120 0.000 0.000 0.249 175 V C 0.079 176.210 176.094 0.062 0.000 1.056 175 V CA 2.665 65.067 62.300 0.169 0.000 1.022 175 V CB -1.646 30.208 31.823 0.050 0.000 0.641 175 V HN 0.476 nan 8.190 nan 0.000 0.445 176 P HA -0.165 nan 4.420 nan 0.000 0.216 176 P C 1.851 179.157 177.300 0.010 0.000 1.150 176 P CA 1.644 64.741 63.100 -0.006 0.000 0.837 176 P CB -0.031 31.668 31.700 -0.002 0.000 0.786 177 L N -2.447 118.748 121.223 -0.046 0.000 2.072 177 L HA -0.078 4.262 4.340 0.000 0.000 0.205 177 L C 2.758 179.626 176.870 -0.003 0.000 1.079 177 L CA 1.096 55.894 54.840 -0.071 0.000 0.752 177 L CB -1.005 40.945 42.059 -0.182 0.000 0.906 177 L HN -0.161 nan 8.230 nan 0.000 0.436 178 F N 0.562 120.526 119.950 0.023 0.000 2.161 178 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 178 F C 2.412 178.227 175.800 0.024 0.000 1.089 178 F CA 1.246 59.261 58.000 0.025 0.000 1.282 178 F CB -0.594 38.413 39.000 0.010 0.000 1.010 178 F HN -0.045 nan 8.300 nan 0.000 0.485 179 I N 0.031 120.728 120.570 0.212 0.000 2.315 179 I HA -0.293 3.877 4.170 0.000 0.000 0.248 179 I C 2.489 178.724 176.117 0.198 0.000 1.117 179 I CA 1.453 62.835 61.300 0.137 0.000 1.404 179 I CB -0.708 37.346 38.000 0.091 0.000 1.071 179 I HN 0.267 nan 8.210 nan 0.000 0.419 180 Q N 1.053 120.973 119.800 0.201 0.000 2.230 180 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 180 Q C 2.151 178.293 176.000 0.237 0.000 0.963 180 Q CA 1.149 57.109 55.803 0.262 0.000 0.866 180 Q CB -0.384 28.423 28.738 0.115 0.000 0.931 180 Q HN 0.496 nan 8.270 nan 0.000 0.452 181 L N 0.629 121.954 121.223 0.170 0.000 2.275 181 L HA -0.099 4.241 4.340 0.000 0.000 0.215 181 L C 2.295 179.239 176.870 0.123 0.000 1.119 181 L CA 0.616 55.544 54.840 0.146 0.000 0.790 181 L CB -0.294 41.862 42.059 0.162 0.000 0.919 181 L HN 0.277 nan 8.230 nan 0.000 0.443 182 L N -1.765 119.515 121.223 0.096 0.000 2.141 182 L HA -0.228 4.112 4.340 0.000 0.000 0.209 182 L C 2.374 179.215 176.870 -0.048 0.000 1.094 182 L CA 1.339 56.167 54.840 -0.019 0.000 0.763 182 L CB -0.471 41.519 42.059 -0.114 0.000 0.908 182 L HN 0.210 nan 8.230 nan 0.000 0.437 183 Y N -0.407 119.907 120.300 0.024 0.000 2.176 183 Y HA -0.149 4.401 4.550 -0.000 0.000 0.291 183 Y C 2.819 178.729 175.900 0.015 0.000 1.122 183 Y CA 1.638 59.749 58.100 0.017 0.000 1.128 183 Y CB -0.640 37.829 38.460 0.016 0.000 1.005 183 Y HN 0.020 nan 8.280 nan 0.000 0.509 184 T N -0.542 114.137 114.554 0.207 0.000 2.770 184 T HA 0.036 4.386 4.350 0.000 0.000 0.258 184 T C 1.293 176.040 174.700 0.079 0.000 1.039 184 T CA 0.737 62.907 62.100 0.117 0.000 1.143 184 T CB -1.060 67.864 68.868 0.094 0.000 0.866 184 T HN 0.410 nan 8.240 nan 0.000 0.428 185 G N 2.260 111.106 108.800 0.077 0.000 2.765 185 G HA2 0.189 4.149 3.960 0.000 0.000 0.230 185 G HA3 0.189 4.149 3.960 0.000 0.000 0.230 185 G C 0.353 175.274 174.900 0.033 0.000 1.238 185 G CA -0.009 45.125 45.100 0.056 0.000 0.854 185 G HN 0.554 nan 8.290 nan 0.000 0.579 186 S N -0.198 115.518 115.700 0.026 0.000 2.655 186 S HA 0.245 4.715 4.470 0.000 0.000 0.265 186 S C 1.573 176.168 174.600 -0.009 0.000 1.240 186 S CA -0.264 57.942 58.200 0.009 0.000 0.986 186 S CB 1.395 64.602 63.200 0.011 0.000 0.985 186 S HN 0.517 nan 8.310 nan 0.000 0.562 187 V N 1.540 121.440 119.914 -0.024 0.000 2.282 187 V HA -0.238 3.882 4.120 0.000 0.000 0.249 187 V C 2.675 178.732 176.094 -0.062 0.000 1.057 187 V CA 2.448 64.721 62.300 -0.047 0.000 1.032 187 V CB -1.413 30.379 31.823 -0.052 0.000 0.645 187 V HN 0.899 nan 8.190 nan 0.000 0.447 188 E N -0.105 120.060 120.200 -0.059 0.000 2.058 188 E HA -0.196 4.154 4.350 0.000 0.000 0.194 188 E C 2.235 178.791 176.600 -0.073 0.000 0.997 188 E CA 1.659 58.004 56.400 -0.091 0.000 0.801 188 E CB -0.336 29.323 29.700 -0.068 0.000 0.746 188 E HN 0.483 nan 8.360 nan 0.000 0.450 189 V N 1.600 121.507 119.914 -0.012 0.000 2.407 189 V HA -0.252 3.868 4.120 0.000 0.000 0.248 189 V C 2.087 178.198 176.094 0.028 0.000 1.055 189 V CA 1.756 64.077 62.300 0.034 0.000 1.049 189 V CB -0.400 31.462 31.823 0.065 0.000 0.662 189 V HN 0.198 nan 8.190 nan 0.000 0.455 190 K N -0.184 120.214 120.400 -0.003 0.000 2.097 190 K HA -0.158 4.162 4.320 0.000 0.000 0.206 190 K C 2.101 178.677 176.600 -0.039 0.000 1.049 190 K CA 1.351 57.628 56.287 -0.017 0.000 0.933 190 K CB -0.172 32.301 32.500 -0.045 0.000 0.717 190 K HN 0.540 nan 8.250 nan 0.000 0.442 191 E N 0.578 120.734 120.200 -0.073 0.000 2.204 191 E HA -0.175 4.175 4.350 0.000 0.000 0.195 191 E C 2.059 178.621 176.600 -0.063 0.000 0.990 191 E CA 0.846 57.186 56.400 -0.101 0.000 0.821 191 E CB 0.141 29.739 29.700 -0.170 0.000 0.750 191 E HN 0.324 nan 8.360 nan 0.000 0.477 192 Q N 0.122 119.891 119.800 -0.051 0.000 2.089 192 Q HA 0.009 4.349 4.340 0.000 0.000 0.195 192 Q C 2.252 178.248 176.000 -0.008 0.000 0.963 192 Q CA 1.056 56.864 55.803 0.009 0.000 0.834 192 Q CB -0.390 28.375 28.738 0.044 0.000 0.906 192 Q HN 0.200 nan 8.270 nan 0.000 0.452 193 A N 1.197 124.016 122.820 -0.002 0.000 1.883 193 A HA -0.193 4.127 4.320 0.000 0.000 0.217 193 A C 2.128 179.618 177.584 -0.156 0.000 1.186 193 A CA 1.573 53.549 52.037 -0.102 0.000 0.624 193 A CB -0.698 18.376 19.000 0.123 0.000 0.822 193 A HN 0.320 nan 8.150 nan 0.000 0.444 194 I N -1.276 119.278 120.570 -0.026 0.000 2.315 194 I HA -0.197 3.973 4.170 0.000 0.000 0.248 194 I C 2.194 178.402 176.117 0.152 0.000 1.117 194 I CA 1.098 62.414 61.300 0.027 0.000 1.404 194 I CB -0.373 37.641 38.000 0.023 0.000 1.071 194 I HN 0.655 nan 8.210 nan 0.000 0.419 195 W N 0.978 122.233 121.300 -0.075 0.000 2.354 195 W HA -0.258 4.402 4.660 0.000 0.000 0.315 195 W C 2.296 178.801 176.519 -0.022 0.000 1.206 195 W CA 1.245 58.581 57.345 -0.014 0.000 1.290 195 W CB -0.150 29.256 29.460 -0.090 0.000 1.152 195 W HN 0.235 nan 8.180 nan 0.000 0.489 196 A N 0.972 123.640 122.820 -0.254 0.000 1.902 196 A HA -0.209 4.111 4.320 0.000 0.000 0.217 196 A C 2.048 179.390 177.584 -0.404 0.000 1.181 196 A CA 1.754 53.473 52.037 -0.529 0.000 0.623 196 A CB -1.176 17.228 19.000 -0.993 0.000 0.818 196 A HN 0.418 nan 8.150 nan 0.000 0.443 197 L N -0.846 120.182 121.223 -0.324 0.000 2.141 197 L HA -0.094 4.246 4.340 0.000 0.000 0.209 197 L C 2.768 179.573 176.870 -0.108 0.000 1.094 197 L CA 0.866 55.600 54.840 -0.176 0.000 0.763 197 L CB -0.641 41.350 42.059 -0.114 0.000 0.908 197 L HN 0.507 nan 8.230 nan 0.000 0.437 198 G N -0.402 108.383 108.800 -0.024 0.000 2.402 198 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 198 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 198 G C 1.387 176.196 174.900 -0.153 0.000 1.162 198 G CA 0.496 45.568 45.100 -0.046 0.000 0.777 198 G HN 0.348 nan 8.290 nan 0.000 0.539 199 N N 0.215 118.872 118.700 -0.073 0.000 2.244 199 N HA -0.087 4.653 4.740 0.000 0.000 0.183 199 N C 2.285 177.760 175.510 -0.058 0.000 1.016 199 N CA 1.094 54.085 53.050 -0.099 0.000 0.866 199 N CB 0.025 38.315 38.487 -0.329 0.000 0.980 199 N HN 0.182 nan 8.380 nan 0.000 0.430 200 V N 1.662 121.536 119.914 -0.067 0.000 2.379 200 V HA -0.141 3.979 4.120 0.000 0.000 0.245 200 V C 2.466 178.605 176.094 0.075 0.000 1.044 200 V CA 1.675 63.989 62.300 0.024 0.000 1.036 200 V CB -0.727 31.065 31.823 -0.051 0.000 0.664 200 V HN 0.255 nan 8.190 nan 0.000 0.453 201 A N 0.459 123.260 122.820 -0.031 0.000 1.972 201 A HA -0.042 4.278 4.320 0.000 0.000 0.219 201 A C 2.193 179.726 177.584 -0.085 0.000 1.169 201 A CA 1.745 53.752 52.037 -0.049 0.000 0.635 201 A CB -0.819 18.107 19.000 -0.124 0.000 0.810 201 A HN 0.562 nan 8.150 nan 0.000 0.446 202 G N -1.175 107.538 108.800 -0.144 0.000 3.042 202 G HA2 0.104 4.064 3.960 0.000 0.000 0.212 202 G HA3 0.104 4.064 3.960 0.000 0.000 0.212 202 G C 0.878 175.746 174.900 -0.053 0.000 1.166 202 G CA 0.901 45.910 45.100 -0.151 0.000 0.767 202 G HN 0.552 nan 8.290 nan 0.000 0.546 203 D N 0.445 120.851 120.400 0.011 0.000 2.103 203 D HA 0.019 4.659 4.640 0.000 0.000 0.199 203 D C 1.473 177.729 176.300 -0.073 0.000 0.978 203 D CA 1.456 55.463 54.000 0.012 0.000 0.829 203 D CB 0.328 41.210 40.800 0.138 0.000 0.981 203 D HN 0.355 nan 8.370 nan 0.000 0.464 204 S N -3.531 112.124 115.700 -0.075 0.000 2.636 204 S HA 0.207 4.677 4.470 0.000 0.000 0.268 204 S C 0.564 175.128 174.600 -0.061 0.000 1.159 204 S CA -0.257 57.869 58.200 -0.123 0.000 0.815 204 S CB 0.879 63.926 63.200 -0.255 0.000 1.130 204 S HN -0.085 nan 8.310 nan 0.000 0.471 205 T N 0.543 115.057 114.554 -0.066 0.000 2.867 205 T HA -0.096 4.254 4.350 0.000 0.000 0.268 205 T C 1.362 176.072 174.700 0.016 0.000 1.057 205 T CA 2.259 64.341 62.100 -0.031 0.000 1.136 205 T CB -1.093 67.751 68.868 -0.040 0.000 0.874 205 T HN 0.739 nan 8.240 nan 0.000 0.466 206 D N -0.411 119.991 120.400 0.005 0.000 2.149 206 D HA -0.126 4.514 4.640 0.000 0.000 0.201 206 D C 1.691 178.138 176.300 0.245 0.000 0.972 206 D CA 1.088 55.132 54.000 0.073 0.000 0.835 206 D CB -0.796 40.011 40.800 0.012 0.000 0.966 206 D HN 0.402 nan 8.370 nan 0.000 0.476 207 Y N 1.263 121.589 120.300 0.043 0.000 2.263 207 Y HA 0.062 4.612 4.550 0.000 0.000 0.292 207 Y C 2.657 178.613 175.900 0.094 0.000 1.130 207 Y CA 0.219 58.383 58.100 0.106 0.000 1.179 207 Y CB -0.724 37.773 38.460 0.061 0.000 0.998 207 Y HN 0.011 nan 8.280 nan 0.000 0.532 208 R N 0.612 121.225 120.500 0.188 0.000 2.094 208 R HA -0.181 4.159 4.340 0.000 0.000 0.239 208 R C 1.531 177.874 176.300 0.071 0.000 1.137 208 R CA 2.148 58.291 56.100 0.071 0.000 0.943 208 R CB -0.210 30.097 30.300 0.012 0.000 0.850 208 R HN 0.251 nan 8.270 nan 0.000 0.433 209 D N -0.520 119.940 120.400 0.100 0.000 2.144 209 D HA -0.185 4.455 4.640 0.000 0.000 0.200 209 D C 1.684 178.059 176.300 0.126 0.000 0.978 209 D CA 0.963 55.018 54.000 0.091 0.000 0.833 209 D CB -0.471 40.383 40.800 0.089 0.000 0.961 209 D HN 0.281 nan 8.370 nan 0.000 0.470 210 Y N 2.445 122.776 120.300 0.050 0.000 2.097 210 Y HA -0.261 4.289 4.550 0.000 0.000 0.282 210 Y C 2.271 178.173 175.900 0.003 0.000 1.152 210 Y CA 1.005 59.122 58.100 0.027 0.000 1.136 210 Y CB -0.705 37.769 38.460 0.022 0.000 0.975 210 Y HN -0.222 nan 8.280 nan 0.000 0.498 211 V N 0.709 120.517 119.914 -0.176 0.000 2.332 211 V HA -0.353 3.767 4.120 0.000 0.000 0.248 211 V C 2.663 178.656 176.094 -0.169 0.000 1.055 211 V CA 2.162 64.307 62.300 -0.258 0.000 1.038 211 V CB -0.905 30.846 31.823 -0.120 0.000 0.651 211 V HN 0.474 nan 8.190 nan 0.000 0.450 212 L N -0.805 120.369 121.223 -0.082 0.000 2.083 212 L HA -0.217 4.123 4.340 0.000 0.000 0.209 212 L C 2.593 179.431 176.870 -0.054 0.000 1.083 212 L CA 1.367 56.175 54.840 -0.054 0.000 0.752 212 L CB -0.448 41.597 42.059 -0.022 0.000 0.899 212 L HN 0.322 nan 8.230 nan 0.000 0.433 213 Q N -1.213 118.556 119.800 -0.051 0.000 2.378 213 Q HA -0.063 4.277 4.340 0.000 0.000 0.205 213 Q C 2.044 178.002 176.000 -0.069 0.000 0.954 213 Q CA 0.816 56.601 55.803 -0.030 0.000 0.901 213 Q CB -0.420 28.333 28.738 0.026 0.000 0.981 213 Q HN 0.450 nan 8.270 nan 0.000 0.483 214 C N 1.066 120.265 119.300 -0.169 0.000 2.539 214 C HA 0.103 4.563 4.460 0.000 0.000 0.271 214 C C 0.156 175.098 174.990 -0.081 0.000 1.412 214 C CA -0.201 58.711 59.018 -0.178 0.000 1.729 214 C CB -1.450 26.078 27.740 -0.354 0.000 1.739 214 C HN 0.560 nan 8.230 nan 0.000 0.570 215 N N -0.457 118.209 118.700 -0.057 0.000 2.756 215 N HA -0.188 4.552 4.740 0.000 0.000 0.248 215 N C 0.695 176.203 175.510 -0.003 0.000 1.062 215 N CA 0.800 53.842 53.050 -0.014 0.000 0.696 215 N CB -0.999 37.500 38.487 0.020 0.000 0.946 215 N HN 0.663 nan 8.380 nan 0.000 0.548 216 A N -0.272 122.525 122.820 -0.039 0.000 2.119 216 A HA -0.010 4.310 4.320 0.000 0.000 0.216 216 A C 2.222 179.779 177.584 -0.044 0.000 1.152 216 A CA 1.222 53.234 52.037 -0.042 0.000 0.708 216 A CB -0.068 18.896 19.000 -0.060 0.000 0.805 216 A HN 0.331 nan 8.150 nan 0.000 0.460 217 M N 0.474 120.053 119.600 -0.034 0.000 2.108 217 M HA -0.173 4.307 4.480 0.000 0.000 0.261 217 M C 1.778 178.061 176.300 -0.028 0.000 1.066 217 M CA 2.272 57.554 55.300 -0.029 0.000 1.107 217 M CB -0.519 32.058 32.600 -0.038 0.000 1.356 217 M HN 0.594 nan 8.290 nan 0.000 0.406 218 E N -0.162 120.024 120.200 -0.023 0.000 2.007 218 E HA -0.169 4.181 4.350 0.000 0.000 0.194 218 E C -0.825 175.691 176.600 -0.140 0.000 0.999 218 E CA 1.730 58.116 56.400 -0.023 0.000 0.811 218 E CB -0.966 28.777 29.700 0.072 0.000 0.762 218 E HN 0.376 nan 8.360 nan 0.000 0.450 219 P HA -0.169 nan 4.420 nan 0.000 0.218 219 P C 1.564 178.703 177.300 -0.270 0.000 1.148 219 P CA 1.309 64.030 63.100 -0.632 0.000 0.822 219 P CB -0.136 31.014 31.700 -0.917 0.000 0.784 220 I N -0.480 120.013 120.570 -0.129 0.000 2.226 220 I HA -0.204 3.966 4.170 0.000 0.000 0.245 220 I C 2.589 178.791 176.117 0.142 0.000 1.100 220 I CA 1.224 62.517 61.300 -0.012 0.000 1.374 220 I CB -0.570 37.455 38.000 0.041 0.000 1.057 220 I HN -0.136 nan 8.210 nan 0.000 0.413 221 L N 0.315 121.626 121.223 0.148 0.000 2.275 221 L HA -0.107 4.233 4.340 0.000 0.000 0.215 221 L C 2.470 179.498 176.870 0.263 0.000 1.119 221 L CA 1.132 56.127 54.840 0.259 0.000 0.790 221 L CB -0.890 41.212 42.059 0.072 0.000 0.919 221 L HN 0.317 nan 8.230 nan 0.000 0.443 222 G N -0.280 108.566 108.800 0.076 0.000 2.572 222 G HA2 -0.087 3.873 3.960 0.000 0.000 0.216 222 G HA3 -0.087 3.873 3.960 0.000 0.000 0.216 222 G C 1.573 176.473 174.900 0.000 0.000 1.133 222 G CA -0.016 45.102 45.100 0.031 0.000 0.791 222 G HN 0.245 nan 8.290 nan 0.000 0.538 223 L N -0.534 120.638 121.223 -0.086 0.000 2.275 223 L HA 0.069 4.409 4.340 0.000 0.000 0.215 223 L C 1.970 178.652 176.870 -0.313 0.000 1.119 223 L CA 0.472 55.157 54.840 -0.257 0.000 0.790 223 L CB -0.314 41.484 42.059 -0.435 0.000 0.919 223 L HN 0.147 nan 8.230 nan 0.000 0.443 224 F N -0.475 119.464 119.950 -0.018 0.000 2.802 224 F HA -0.013 4.514 4.527 0.000 0.000 0.300 224 F C 1.696 177.492 175.800 -0.006 0.000 1.168 224 F CA 0.327 58.323 58.000 -0.007 0.000 1.433 224 F CB -0.441 38.557 39.000 -0.003 0.000 1.115 224 F HN 0.136 nan 8.300 nan 0.000 0.582 225 N N -0.009 118.753 118.700 0.105 0.000 2.314 225 N HA 0.017 4.757 4.740 0.000 0.000 0.200 225 N C 0.491 176.016 175.510 0.025 0.000 1.135 225 N CA 0.253 53.342 53.050 0.065 0.000 0.835 225 N CB 0.093 38.611 38.487 0.052 0.000 0.989 225 N HN 0.228 nan 8.380 nan 0.000 0.478 226 S N 0.781 116.480 115.700 -0.002 0.000 2.745 226 S HA 0.352 4.822 4.470 0.000 0.000 0.292 226 S C 0.620 175.212 174.600 -0.013 0.000 1.133 226 S CA -0.740 57.447 58.200 -0.023 0.000 0.998 226 S CB 1.331 64.494 63.200 -0.061 0.000 1.087 226 S HN 0.231 nan 8.310 nan 0.000 0.551 227 N N -0.686 118.004 118.700 -0.017 0.000 2.282 227 N HA 0.130 4.870 4.740 0.000 0.000 0.240 227 N C -0.653 174.845 175.510 -0.020 0.000 1.182 227 N CA -0.463 52.581 53.050 -0.009 0.000 0.874 227 N CB -0.016 38.469 38.487 -0.004 0.000 1.126 227 N HN 0.642 nan 8.380 nan 0.000 0.516 228 K N 2.117 122.493 120.400 -0.039 0.000 2.281 228 K HA 0.302 4.622 4.320 0.000 0.000 0.272 228 K C -1.594 174.975 176.600 -0.052 0.000 1.048 228 K CA -2.001 54.257 56.287 -0.048 0.000 0.898 228 K CB 1.625 34.087 32.500 -0.064 0.000 1.128 228 K HN -0.141 nan 8.250 nan 0.000 0.460 229 P HA -0.287 nan 4.420 nan 0.000 0.214 229 P C 1.088 178.358 177.300 -0.049 0.000 1.169 229 P CA 1.772 64.856 63.100 -0.028 0.000 0.908 229 P CB 0.072 31.759 31.700 -0.021 0.000 0.791 230 S N 0.164 115.820 115.700 -0.073 0.000 2.374 230 S HA -0.189 4.281 4.470 0.000 0.000 0.227 230 S C 2.112 176.641 174.600 -0.118 0.000 1.037 230 S CA 1.514 59.650 58.200 -0.106 0.000 1.024 230 S CB -1.759 61.363 63.200 -0.131 0.000 0.861 230 S HN 0.067 nan 8.310 nan 0.000 0.456 231 L N 1.322 122.475 121.223 -0.118 0.000 2.093 231 L HA 0.104 4.444 4.340 0.000 0.000 0.208 231 L C 2.155 178.931 176.870 -0.157 0.000 1.085 231 L CA 1.470 56.229 54.840 -0.136 0.000 0.755 231 L CB -0.663 41.312 42.059 -0.139 0.000 0.904 231 L HN 0.248 nan 8.230 nan 0.000 0.435 232 I N -0.438 120.048 120.570 -0.139 0.000 2.394 232 I HA -0.192 3.978 4.170 0.000 0.000 0.251 232 I C 2.628 178.740 176.117 -0.008 0.000 1.136 232 I CA 1.037 62.250 61.300 -0.144 0.000 1.425 232 I CB -1.161 36.826 38.000 -0.022 0.000 1.079 232 I HN 0.368 nan 8.210 nan 0.000 0.425 233 R N 0.453 120.957 120.500 0.006 0.000 2.075 233 R HA -0.141 4.199 4.340 0.000 0.000 0.230 233 R C 2.298 178.669 176.300 0.118 0.000 1.140 233 R CA 2.217 58.352 56.100 0.059 0.000 0.928 233 R CB -0.891 29.402 30.300 -0.012 0.000 0.834 233 R HN 0.315 nan 8.270 nan 0.000 0.429 234 T N 1.343 115.924 114.554 0.045 0.000 2.624 234 T HA -0.245 4.105 4.350 0.000 0.000 0.268 234 T C 1.994 176.857 174.700 0.272 0.000 1.041 234 T CA 1.761 63.956 62.100 0.158 0.000 1.159 234 T CB -0.481 68.417 68.868 0.050 0.000 0.863 234 T HN 0.443 nan 8.240 nan 0.000 0.434 235 A N 1.398 124.271 122.820 0.088 0.000 1.892 235 A HA -0.198 4.122 4.320 0.000 0.000 0.218 235 A C 2.594 180.352 177.584 0.291 0.000 1.188 235 A CA 2.418 54.484 52.037 0.049 0.000 0.631 235 A CB -1.425 17.319 19.000 -0.427 0.000 0.822 235 A HN 0.526 nan 8.150 nan 0.000 0.447 236 T N -1.919 112.848 114.554 0.356 0.000 2.746 236 T HA -0.192 4.158 4.350 0.000 0.000 0.267 236 T C 1.459 176.350 174.700 0.319 0.000 1.039 236 T CA 1.462 63.798 62.100 0.393 0.000 1.142 236 T CB -0.340 68.728 68.868 0.333 0.000 0.866 236 T HN 0.743 nan 8.240 nan 0.000 0.444 237 W N 2.026 123.423 121.300 0.163 0.000 2.355 237 W HA -0.171 4.489 4.660 0.000 0.000 0.309 237 W C 2.281 178.895 176.519 0.158 0.000 1.206 237 W CA 1.528 58.969 57.345 0.161 0.000 1.284 237 W CB -0.887 28.671 29.460 0.164 0.000 1.145 237 W HN 0.088 nan 8.180 nan 0.000 0.502 238 T N 1.378 116.008 114.554 0.126 0.000 2.788 238 T HA -0.223 4.127 4.350 0.000 0.000 0.268 238 T C 1.658 176.293 174.700 -0.110 0.000 1.044 238 T CA 1.517 63.538 62.100 -0.131 0.000 1.139 238 T CB -0.648 68.267 68.868 0.078 0.000 0.867 238 T HN 0.066 nan 8.240 nan 0.000 0.454 239 L N 1.898 123.146 121.223 0.042 0.000 2.046 239 L HA -0.073 4.267 4.340 0.000 0.000 0.208 239 L C 2.666 179.549 176.870 0.021 0.000 1.077 239 L CA 2.004 56.877 54.840 0.053 0.000 0.747 239 L CB -0.982 41.156 42.059 0.131 0.000 0.896 239 L HN 0.356 nan 8.230 nan 0.000 0.432 240 S N -1.180 114.537 115.700 0.029 0.000 2.383 240 S HA -0.153 4.317 4.470 0.000 0.000 0.227 240 S C 1.816 176.430 174.600 0.024 0.000 1.026 240 S CA 1.118 59.392 58.200 0.122 0.000 0.981 240 S CB -0.720 62.594 63.200 0.190 0.000 0.818 240 S HN 0.508 nan 8.310 nan 0.000 0.472 241 N N 1.856 120.418 118.700 -0.231 0.000 2.309 241 N HA 0.111 4.851 4.740 0.000 0.000 0.182 241 N C 1.559 176.961 175.510 -0.180 0.000 1.018 241 N CA 0.975 53.843 53.050 -0.303 0.000 0.876 241 N CB -0.532 37.642 38.487 -0.522 0.000 0.972 241 N HN 0.479 nan 8.380 nan 0.000 0.434 242 L N -0.619 120.536 121.223 -0.113 0.000 2.270 242 L HA 0.010 4.350 4.340 0.000 0.000 0.210 242 L C 1.760 178.616 176.870 -0.023 0.000 1.104 242 L CA 0.428 55.229 54.840 -0.064 0.000 0.804 242 L CB -0.042 41.987 42.059 -0.049 0.000 0.937 242 L HN 0.151 nan 8.230 nan 0.000 0.450 243 C N -1.037 118.279 119.300 0.027 0.000 2.533 243 C HA 0.047 4.507 4.460 0.000 0.000 0.272 243 C C 1.696 176.719 174.990 0.055 0.000 1.371 243 C CA -0.529 58.550 59.018 0.102 0.000 1.758 243 C CB -0.774 27.093 27.740 0.211 0.000 1.972 243 C HN 0.300 nan 8.230 nan 0.000 0.522 244 R N 1.087 121.495 120.500 -0.153 0.000 2.594 244 R HA 0.463 4.803 4.340 0.000 0.000 0.272 244 R C 0.025 176.146 176.300 -0.298 0.000 1.074 244 R CA 1.288 57.059 56.100 -0.548 0.000 1.105 244 R CB 0.088 29.850 30.300 -0.897 0.000 1.008 244 R HN 0.506 nan 8.270 nan 0.000 0.472 245 G N 2.335 110.967 108.800 -0.280 0.000 3.014 245 G HA2 -0.102 3.858 3.960 0.000 0.000 0.683 245 G HA3 -0.102 3.858 3.960 0.000 0.000 0.683 245 G C -0.550 174.311 174.900 -0.065 0.000 1.271 245 G CA -0.475 44.537 45.100 -0.147 0.000 0.843 245 G HN 0.660 nan 8.290 nan 0.000 0.612 246 K N -0.112 120.259 120.400 -0.048 0.000 2.435 246 K HA 0.202 4.522 4.320 0.000 0.000 0.199 246 K C 1.628 178.220 176.600 -0.013 0.000 1.153 246 K CA -0.033 56.245 56.287 -0.015 0.000 0.974 246 K CB 0.165 32.662 32.500 -0.006 0.000 0.997 246 K HN 0.340 nan 8.250 nan 0.000 0.547 247 K N 1.004 121.390 120.400 -0.024 0.000 2.332 247 K HA 0.150 4.470 4.320 0.000 0.000 0.246 247 K C -2.439 174.154 176.600 -0.012 0.000 1.066 247 K CA -1.754 54.523 56.287 -0.018 0.000 0.898 247 K CB -0.628 31.857 32.500 -0.025 0.000 1.192 247 K HN -0.202 nan 8.250 nan 0.000 0.509 248 P HA -0.213 nan 4.420 nan 0.000 0.110 248 P C -0.497 176.809 177.300 0.010 0.000 0.739 248 P CA 0.721 63.824 63.100 0.005 0.000 1.065 248 P CB -0.345 31.358 31.700 0.003 0.000 1.586 249 Q N 5.513 125.327 119.800 0.024 0.000 2.364 249 Q HA 0.172 4.512 4.340 0.000 0.000 0.267 249 Q C -1.854 174.185 176.000 0.064 0.000 0.999 249 Q CA -1.499 54.330 55.803 0.044 0.000 0.886 249 Q CB -0.022 28.749 28.738 0.055 0.000 1.243 249 Q HN 0.297 nan 8.270 nan 0.000 0.415 250 P HA -0.092 nan 4.420 nan 0.000 0.270 250 P C -0.616 176.750 177.300 0.110 0.000 1.223 250 P CA -0.119 63.024 63.100 0.071 0.000 0.785 250 P CB 0.471 32.205 31.700 0.056 0.000 0.923 251 D N 2.231 122.679 120.400 0.079 0.000 2.419 251 D HA -0.126 4.514 4.640 0.000 0.000 0.281 251 D C 1.222 177.586 176.300 0.107 0.000 1.398 251 D CA 0.057 54.111 54.000 0.089 0.000 1.047 251 D CB -0.196 40.631 40.800 0.045 0.000 1.115 251 D HN 0.441 nan 8.370 nan 0.000 0.540 252 W N 3.960 125.266 121.300 0.010 0.000 2.331 252 W HA -0.276 4.384 4.660 0.000 0.000 0.291 252 W C 1.644 178.169 176.519 0.010 0.000 1.214 252 W CA 1.626 58.977 57.345 0.011 0.000 1.228 252 W CB -0.174 29.293 29.460 0.012 0.000 1.135 252 W HN 0.485 nan 8.180 nan 0.000 0.537 253 S N 0.029 115.709 115.700 -0.033 0.000 2.419 253 S HA -0.169 4.301 4.470 0.000 0.000 0.233 253 S C 1.706 176.184 174.600 -0.203 0.000 1.016 253 S CA 1.535 59.665 58.200 -0.117 0.000 0.974 253 S CB -0.785 62.422 63.200 0.012 0.000 0.786 253 S HN 0.077 nan 8.310 nan 0.000 0.492 254 V N 2.408 122.226 119.914 -0.160 0.000 2.283 254 V HA -0.062 4.058 4.120 0.000 0.000 0.239 254 V C 2.788 178.752 176.094 -0.216 0.000 1.035 254 V CA 1.215 63.429 62.300 -0.144 0.000 1.018 254 V CB -0.906 30.872 31.823 -0.075 0.000 0.658 254 V HN 0.559 nan 8.190 nan 0.000 0.459 255 V N 0.722 120.501 119.914 -0.224 0.000 2.469 255 V HA -0.215 3.905 4.120 0.000 0.000 0.251 255 V C 2.457 178.302 176.094 -0.416 0.000 1.064 255 V CA 2.346 64.502 62.300 -0.238 0.000 1.066 255 V CB -1.560 30.187 31.823 -0.126 0.000 0.667 255 V HN 0.651 nan 8.190 nan 0.000 0.461 256 S N -0.316 114.906 115.700 -0.796 0.000 2.500 256 S HA -0.215 4.255 4.470 0.000 0.000 0.239 256 S C 1.871 176.200 174.600 -0.452 0.000 0.989 256 S CA 1.440 59.064 58.200 -0.960 0.000 0.951 256 S CB -0.692 61.535 63.200 -1.622 0.000 0.759 256 S HN 0.752 nan 8.310 nan 0.000 0.523 257 Q N 0.432 120.033 119.800 -0.331 0.000 2.437 257 Q HA 0.165 4.505 4.340 0.000 0.000 0.210 257 Q C 2.230 178.132 176.000 -0.163 0.000 0.972 257 Q CA 0.959 56.644 55.803 -0.197 0.000 0.903 257 Q CB -0.319 28.331 28.738 -0.147 0.000 0.967 257 Q HN 0.831 nan 8.270 nan 0.000 0.486 258 A N 0.223 122.933 122.820 -0.183 0.000 2.072 258 A HA -0.025 4.295 4.320 0.000 0.000 0.216 258 A C 1.882 179.372 177.584 -0.157 0.000 1.156 258 A CA 0.200 52.138 52.037 -0.166 0.000 0.701 258 A CB -0.268 18.646 19.000 -0.143 0.000 0.816 258 A HN 0.280 nan 8.150 nan 0.000 0.458 259 L N -0.288 120.853 121.223 -0.137 0.000 2.034 259 L HA -0.226 4.114 4.340 0.000 0.000 0.217 259 L C -0.405 176.420 176.870 -0.076 0.000 1.077 259 L CA 2.122 56.911 54.840 -0.085 0.000 0.769 259 L CB -1.577 40.451 42.059 -0.052 0.000 0.890 259 L HN 0.258 nan 8.230 nan 0.000 0.435 260 P HA -0.125 nan 4.420 nan 0.000 0.216 260 P C 1.608 178.852 177.300 -0.094 0.000 1.153 260 P CA 1.466 64.525 63.100 -0.068 0.000 0.848 260 P CB -0.037 31.625 31.700 -0.062 0.000 0.787 261 T N -0.252 114.204 114.554 -0.163 0.000 2.777 261 T HA -0.098 4.252 4.350 0.000 0.000 0.266 261 T C 1.638 176.197 174.700 -0.235 0.000 1.040 261 T CA 0.933 62.876 62.100 -0.262 0.000 1.141 261 T CB -0.863 67.693 68.868 -0.519 0.000 0.868 261 T HN -0.077 nan 8.240 nan 0.000 0.444 262 L N 1.398 122.500 121.223 -0.201 0.000 2.079 262 L HA 0.016 4.356 4.340 0.000 0.000 0.210 262 L C 2.765 179.605 176.870 -0.050 0.000 1.081 262 L CA 1.461 56.225 54.840 -0.126 0.000 0.752 262 L CB -1.428 40.575 42.059 -0.094 0.000 0.896 262 L HN 0.267 nan 8.230 nan 0.000 0.433 263 A N -1.203 121.603 122.820 -0.023 0.000 2.019 263 A HA -0.206 4.114 4.320 0.000 0.000 0.219 263 A C 2.322 179.990 177.584 0.140 0.000 1.164 263 A CA 1.571 53.637 52.037 0.048 0.000 0.644 263 A CB -0.312 18.712 19.000 0.039 0.000 0.805 263 A HN 0.441 nan 8.150 nan 0.000 0.449 264 K N -0.580 119.865 120.400 0.076 0.000 2.166 264 K HA 0.208 4.528 4.320 0.000 0.000 0.201 264 K C 1.678 178.376 176.600 0.163 0.000 1.052 264 K CA 0.633 56.993 56.287 0.123 0.000 0.969 264 K CB -0.230 32.284 32.500 0.023 0.000 0.761 264 K HN 0.400 nan 8.250 nan 0.000 0.459 265 L N 1.796 123.055 121.223 0.060 0.000 2.187 265 L HA -0.116 4.224 4.340 0.000 0.000 0.213 265 L C 2.102 179.001 176.870 0.048 0.000 1.100 265 L CA 0.917 55.792 54.840 0.059 0.000 0.765 265 L CB -0.596 41.468 42.059 0.009 0.000 0.904 265 L HN 0.273 nan 8.230 nan 0.000 0.437 266 I N -4.426 116.147 120.570 0.005 0.000 3.605 266 I HA -0.153 4.017 4.170 0.000 0.000 0.301 266 I C 0.814 176.764 176.117 -0.278 0.000 1.267 266 I CA 0.815 62.034 61.300 -0.135 0.000 1.236 266 I CB -0.544 37.333 38.000 -0.206 0.000 1.010 266 I HN 0.122 nan 8.210 nan 0.000 0.491 267 Y N 0.401 120.701 120.300 -0.000 0.000 2.641 267 Y HA 0.311 4.861 4.550 -0.000 0.000 0.248 267 Y C 1.496 177.408 175.900 0.021 0.000 1.170 267 Y CA -0.431 57.675 58.100 0.010 0.000 1.201 267 Y CB 0.354 38.817 38.460 0.005 0.000 1.232 267 Y HN 0.163 nan 8.280 nan 0.000 0.537 268 S N 0.342 116.112 115.700 0.116 0.000 2.579 268 S HA 0.052 4.522 4.470 0.000 0.000 0.275 268 S C 1.375 176.021 174.600 0.078 0.000 1.345 268 S CA -0.214 58.043 58.200 0.095 0.000 1.031 268 S CB 0.561 63.809 63.200 0.080 0.000 0.892 268 S HN 0.284 nan 8.310 nan 0.000 0.529 269 M N 1.887 121.529 119.600 0.070 0.000 2.476 269 M HA 0.145 4.625 4.480 0.000 0.000 0.262 269 M C 0.440 176.772 176.300 0.054 0.000 1.111 269 M CA 0.441 55.777 55.300 0.060 0.000 1.127 269 M CB -1.491 31.137 32.600 0.047 0.000 1.376 269 M HN 0.635 nan 8.290 nan 0.000 0.465 270 D N 0.890 121.320 120.400 0.049 0.000 2.343 270 D HA 0.095 4.735 4.640 0.000 0.000 0.255 270 D C 0.874 177.199 176.300 0.040 0.000 1.187 270 D CA 0.339 54.363 54.000 0.039 0.000 0.875 270 D CB 1.292 42.113 40.800 0.035 0.000 1.136 270 D HN 0.031 nan 8.370 nan 0.000 0.469 271 T N 2.935 117.514 114.554 0.041 0.000 2.746 271 T HA -0.160 4.190 4.350 0.000 0.000 0.267 271 T C 1.545 176.255 174.700 0.016 0.000 1.039 271 T CA 0.997 63.115 62.100 0.030 0.000 1.142 271 T CB -0.109 68.790 68.868 0.053 0.000 0.866 271 T HN 0.516 nan 8.240 nan 0.000 0.444 272 E N 0.376 120.594 120.200 0.031 0.000 2.085 272 E HA -0.127 4.223 4.350 0.000 0.000 0.194 272 E C 2.419 179.067 176.600 0.080 0.000 0.994 272 E CA 1.368 57.798 56.400 0.051 0.000 0.801 272 E CB -0.123 29.593 29.700 0.027 0.000 0.743 272 E HN 0.416 nan 8.360 nan 0.000 0.453 273 T N 1.573 116.168 114.554 0.069 0.000 2.708 273 T HA -0.148 4.203 4.350 0.000 0.000 0.266 273 T C 1.934 176.677 174.700 0.073 0.000 1.037 273 T CA 0.695 62.853 62.100 0.096 0.000 1.146 273 T CB -0.210 68.713 68.868 0.093 0.000 0.865 273 T HN 0.113 nan 8.240 nan 0.000 0.435 274 L N 0.688 121.924 121.223 0.022 0.000 1.989 274 L HA -0.154 4.186 4.340 0.000 0.000 0.211 274 L C 2.663 179.496 176.870 -0.061 0.000 1.071 274 L CA 1.307 56.121 54.840 -0.042 0.000 0.749 274 L CB -0.619 41.377 42.059 -0.105 0.000 0.890 274 L HN 0.160 nan 8.230 nan 0.000 0.431 275 V N -0.002 119.891 119.914 -0.034 0.000 2.231 275 V HA -0.369 3.751 4.120 0.000 0.000 0.248 275 V C 2.129 178.308 176.094 0.142 0.000 1.054 275 V CA 2.266 64.570 62.300 0.006 0.000 1.015 275 V CB -0.590 31.302 31.823 0.115 0.000 0.638 275 V HN 0.501 nan 8.190 nan 0.000 0.444 276 D N -0.007 120.536 120.400 0.238 0.000 2.178 276 D HA -0.098 4.542 4.640 0.000 0.000 0.201 276 D C 2.160 178.571 176.300 0.186 0.000 0.980 276 D CA 1.509 55.698 54.000 0.314 0.000 0.842 276 D CB -0.247 40.753 40.800 0.334 0.000 0.948 276 D HN 0.476 nan 8.370 nan 0.000 0.472 277 A N 0.400 123.276 122.820 0.092 0.000 1.898 277 A HA -0.157 4.163 4.320 0.000 0.000 0.216 277 A C 2.511 180.069 177.584 -0.043 0.000 1.181 277 A CA 1.046 53.099 52.037 0.025 0.000 0.620 277 A CB -0.814 18.186 19.000 0.000 0.000 0.819 277 A HN 0.328 nan 8.150 nan 0.000 0.442 278 C N -2.805 116.429 119.300 -0.111 0.000 2.440 278 C HA -0.113 4.347 4.460 0.000 0.000 0.278 278 C C 2.397 177.214 174.990 -0.288 0.000 1.295 278 C CA 0.355 59.235 59.018 -0.230 0.000 1.738 278 C CB -1.755 25.779 27.740 -0.343 0.000 1.987 278 C HN 0.828 nan 8.230 nan 0.000 0.492 279 W N 0.966 122.124 121.300 -0.236 0.000 2.381 279 W HA -0.076 4.584 4.660 -0.000 0.000 0.301 279 W C 2.669 178.697 176.519 -0.818 0.000 1.205 279 W CA 1.050 58.090 57.345 -0.508 0.000 1.285 279 W CB -0.450 28.823 29.460 -0.312 0.000 1.133 279 W HN 0.254 nan 8.180 nan 0.000 0.521 280 A N 0.437 123.192 122.820 -0.107 0.000 1.883 280 A HA -0.212 4.108 4.320 0.000 0.000 0.217 280 A C 1.813 179.387 177.584 -0.017 0.000 1.186 280 A CA 1.815 53.859 52.037 0.012 0.000 0.624 280 A CB -1.026 18.022 19.000 0.080 0.000 0.822 280 A HN 0.300 nan 8.150 nan 0.000 0.444 281 I N 0.751 121.286 120.570 -0.059 0.000 2.286 281 I HA -0.263 3.907 4.170 0.000 0.000 0.248 281 I C 2.859 178.964 176.117 -0.020 0.000 1.115 281 I CA 1.610 62.894 61.300 -0.026 0.000 1.392 281 I CB -0.289 37.676 38.000 -0.058 0.000 1.065 281 I HN 0.540 nan 8.210 nan 0.000 0.418 282 S N 0.382 116.010 115.700 -0.121 0.000 2.402 282 S HA -0.184 4.286 4.470 0.000 0.000 0.229 282 S C 2.038 176.706 174.600 0.114 0.000 1.021 282 S CA 0.856 59.026 58.200 -0.050 0.000 0.974 282 S CB -0.618 62.512 63.200 -0.117 0.000 0.800 282 S HN 0.366 nan 8.310 nan 0.000 0.484 283 Y N 1.914 122.311 120.300 0.163 0.000 2.263 283 Y HA 0.250 4.800 4.550 0.000 0.000 0.292 283 Y C 2.262 178.249 175.900 0.145 0.000 1.130 283 Y CA -0.143 58.043 58.100 0.143 0.000 1.179 283 Y CB -0.881 37.653 38.460 0.124 0.000 0.998 283 Y HN 0.240 nan 8.280 nan 0.000 0.532 284 L N -1.221 120.187 121.223 0.307 0.000 2.217 284 L HA -0.126 4.214 4.340 0.000 0.000 0.211 284 L C 1.900 178.927 176.870 0.262 0.000 1.107 284 L CA 1.132 56.178 54.840 0.344 0.000 0.783 284 L CB -0.461 41.791 42.059 0.321 0.000 0.919 284 L HN 0.030 nan 8.230 nan 0.000 0.442 285 S N -1.416 114.387 115.700 0.171 0.000 2.593 285 S HA -0.044 4.426 4.470 0.000 0.000 0.217 285 S C 0.727 175.379 174.600 0.087 0.000 0.966 285 S CA 0.175 58.433 58.200 0.097 0.000 0.914 285 S CB -0.178 63.062 63.200 0.066 0.000 0.776 285 S HN 0.247 nan 8.310 nan 0.000 0.523 286 D N 1.917 122.397 120.400 0.133 0.000 2.943 286 D HA 0.454 5.094 4.640 0.000 0.000 0.249 286 D C 0.335 176.674 176.300 0.064 0.000 1.231 286 D CA 0.008 54.083 54.000 0.124 0.000 0.979 286 D CB -0.274 40.636 40.800 0.185 0.000 1.053 286 D HN 0.380 nan 8.370 nan 0.000 0.504 287 G N 0.801 109.599 108.800 -0.003 0.000 2.706 287 G HA2 0.454 4.414 3.960 0.000 0.000 0.307 287 G HA3 0.454 4.414 3.960 0.000 0.000 0.307 287 G C -2.681 172.146 174.900 -0.121 0.000 1.307 287 G CA -0.797 44.257 45.100 -0.077 0.000 0.790 287 G HN 0.071 nan 8.290 nan 0.000 0.503 288 P HA 0.134 nan 4.420 nan 0.000 0.275 288 P C 0.260 177.450 177.300 -0.183 0.000 1.270 288 P CA -0.051 62.951 63.100 -0.163 0.000 0.791 288 P CB 1.096 32.688 31.700 -0.180 0.000 1.089 289 Q N -0.537 119.180 119.800 -0.139 0.000 2.135 289 Q HA -0.231 4.109 4.340 0.000 0.000 0.204 289 Q C 2.196 178.105 176.000 -0.151 0.000 0.981 289 Q CA 1.849 57.581 55.803 -0.118 0.000 0.856 289 Q CB -0.193 28.495 28.738 -0.083 0.000 0.902 289 Q HN 0.601 nan 8.270 nan 0.000 0.425 290 E N 0.440 120.515 120.200 -0.209 0.000 2.058 290 E HA -0.248 4.102 4.350 0.000 0.000 0.194 290 E C 1.890 178.273 176.600 -0.361 0.000 0.997 290 E CA 1.135 57.388 56.400 -0.245 0.000 0.801 290 E CB -0.092 29.426 29.700 -0.304 0.000 0.746 290 E HN 0.348 nan 8.360 nan 0.000 0.450 291 A N 1.312 123.750 122.820 -0.637 0.000 1.845 291 A HA -0.181 4.139 4.320 0.000 0.000 0.215 291 A C 2.247 179.721 177.584 -0.183 0.000 1.195 291 A CA 1.684 53.253 52.037 -0.781 0.000 0.616 291 A CB -0.838 17.719 19.000 -0.739 0.000 0.832 291 A HN 0.371 nan 8.150 nan 0.000 0.443 292 I N -0.790 119.697 120.570 -0.138 0.000 2.151 292 I HA -0.336 3.834 4.170 0.000 0.000 0.243 292 I C 2.811 178.919 176.117 -0.014 0.000 1.080 292 I CA 2.051 63.322 61.300 -0.048 0.000 1.339 292 I CB -0.418 37.546 38.000 -0.060 0.000 1.039 292 I HN 0.411 nan 8.210 nan 0.000 0.409 293 Q N 1.055 120.839 119.800 -0.028 0.000 2.170 293 Q HA -0.166 4.174 4.340 0.000 0.000 0.203 293 Q C 2.123 178.153 176.000 0.050 0.000 0.976 293 Q CA 2.049 57.854 55.803 0.003 0.000 0.858 293 Q CB -0.290 28.444 28.738 -0.007 0.000 0.907 293 Q HN 0.523 nan 8.270 nan 0.000 0.433 294 A N -0.810 122.070 122.820 0.101 0.000 1.902 294 A HA -0.130 4.190 4.320 0.000 0.000 0.217 294 A C 2.216 179.888 177.584 0.147 0.000 1.181 294 A CA 1.650 53.804 52.037 0.195 0.000 0.623 294 A CB -0.747 18.533 19.000 0.466 0.000 0.818 294 A HN 0.266 nan 8.150 nan 0.000 0.443 295 V N 0.179 120.173 119.914 0.134 0.000 2.515 295 V HA -0.229 3.891 4.120 0.000 0.000 0.250 295 V C 2.355 178.478 176.094 0.047 0.000 1.058 295 V CA 1.786 64.139 62.300 0.088 0.000 1.064 295 V CB -0.663 31.205 31.823 0.074 0.000 0.675 295 V HN 0.559 nan 8.190 nan 0.000 0.461 296 I N 0.090 120.682 120.570 0.037 0.000 2.252 296 I HA -0.183 3.987 4.170 0.000 0.000 0.245 296 I C 2.224 178.355 176.117 0.023 0.000 1.102 296 I CA 1.447 62.759 61.300 0.019 0.000 1.385 296 I CB -0.483 37.521 38.000 0.007 0.000 1.064 296 I HN 0.306 nan 8.210 nan 0.000 0.414 297 D N 0.325 120.745 120.400 0.033 0.000 2.178 297 D HA -0.129 4.511 4.640 0.000 0.000 0.201 297 D C 1.874 178.190 176.300 0.027 0.000 0.980 297 D CA 1.044 55.062 54.000 0.029 0.000 0.842 297 D CB -0.103 40.720 40.800 0.037 0.000 0.948 297 D HN 0.179 nan 8.370 nan 0.000 0.472 298 V N 1.105 121.037 119.914 0.031 0.000 3.563 298 V HA 0.017 4.137 4.120 0.000 0.000 0.299 298 V C 0.146 176.256 176.094 0.028 0.000 1.290 298 V CA 0.157 62.471 62.300 0.024 0.000 1.201 298 V CB -1.072 30.763 31.823 0.020 0.000 1.045 298 V HN 0.198 nan 8.190 nan 0.000 0.425 299 R N -0.500 120.016 120.500 0.027 0.000 3.405 299 R HA -0.231 4.109 4.340 0.000 0.000 0.258 299 R C 0.995 177.320 176.300 0.043 0.000 1.030 299 R CA 1.090 57.208 56.100 0.031 0.000 0.691 299 R CB -2.054 28.265 30.300 0.031 0.000 1.093 299 R HN 0.516 nan 8.270 nan 0.000 0.448 300 I N -0.248 120.339 120.570 0.029 0.000 2.480 300 I HA -0.087 4.083 4.170 0.000 0.000 0.251 300 I C -0.694 175.419 176.117 -0.007 0.000 1.124 300 I CA 0.349 61.659 61.300 0.017 0.000 1.444 300 I CB -0.685 37.318 38.000 0.004 0.000 1.098 300 I HN 0.112 nan 8.210 nan 0.000 0.428 301 P HA -0.278 nan 4.420 nan 0.000 0.219 301 P C 1.504 178.787 177.300 -0.028 0.000 1.161 301 P CA 1.644 64.730 63.100 -0.025 0.000 0.909 301 P CB 0.015 31.703 31.700 -0.020 0.000 0.793 302 K N -0.451 119.943 120.400 -0.010 0.000 2.097 302 K HA -0.174 4.146 4.320 0.000 0.000 0.206 302 K C 2.177 178.763 176.600 -0.023 0.000 1.049 302 K CA 1.497 57.780 56.287 -0.007 0.000 0.933 302 K CB -0.702 31.808 32.500 0.017 0.000 0.717 302 K HN -0.218 nan 8.250 nan 0.000 0.442 303 R N 0.100 120.580 120.500 -0.033 0.000 2.092 303 R HA 0.018 4.358 4.340 0.000 0.000 0.231 303 R C 1.919 178.133 176.300 -0.144 0.000 1.119 303 R CA 1.126 57.150 56.100 -0.128 0.000 0.970 303 R CB -0.891 29.267 30.300 -0.237 0.000 0.864 303 R HN 0.241 nan 8.270 nan 0.000 0.440 304 L N -0.249 120.908 121.223 -0.110 0.000 2.042 304 L HA -0.118 4.222 4.340 0.000 0.000 0.210 304 L C 2.236 179.050 176.870 -0.093 0.000 1.076 304 L CA 1.402 56.175 54.840 -0.112 0.000 0.749 304 L CB -0.655 41.348 42.059 -0.094 0.000 0.893 304 L HN 0.033 nan 8.230 nan 0.000 0.432 305 V N -0.807 119.064 119.914 -0.070 0.000 2.427 305 V HA -0.258 3.862 4.120 0.000 0.000 0.248 305 V C 2.334 178.398 176.094 -0.049 0.000 1.051 305 V CA 1.568 63.835 62.300 -0.055 0.000 1.048 305 V CB -0.563 31.235 31.823 -0.042 0.000 0.666 305 V HN 0.502 nan 8.190 nan 0.000 0.456 306 E N 0.159 120.327 120.200 -0.053 0.000 2.106 306 E HA -0.127 4.223 4.350 0.000 0.000 0.192 306 E C 2.133 178.711 176.600 -0.036 0.000 0.984 306 E CA 0.939 57.314 56.400 -0.042 0.000 0.806 306 E CB -0.174 29.498 29.700 -0.046 0.000 0.750 306 E HN 0.500 nan 8.360 nan 0.000 0.458 307 L N 0.956 122.142 121.223 -0.061 0.000 2.456 307 L HA -0.118 4.222 4.340 0.000 0.000 0.224 307 L C 2.119 178.977 176.870 -0.021 0.000 1.148 307 L CA 0.372 55.186 54.840 -0.042 0.000 0.825 307 L CB -0.246 41.741 42.059 -0.120 0.000 0.937 307 L HN 0.189 nan 8.230 nan 0.000 0.450 308 L N -0.575 120.627 121.223 -0.035 0.000 2.275 308 L HA -0.113 4.227 4.340 0.000 0.000 0.215 308 L C 1.999 178.870 176.870 0.001 0.000 1.119 308 L CA 1.095 55.918 54.840 -0.028 0.000 0.790 308 L CB -0.335 41.703 42.059 -0.034 0.000 0.919 308 L HN 0.355 nan 8.230 nan 0.000 0.443 309 S N -2.726 112.980 115.700 0.010 0.000 2.574 309 S HA 0.058 4.528 4.470 0.000 0.000 0.242 309 S C 0.521 175.135 174.600 0.024 0.000 0.982 309 S CA -0.639 57.567 58.200 0.010 0.000 0.977 309 S CB -0.499 62.696 63.200 -0.007 0.000 0.814 309 S HN 0.300 nan 8.310 nan 0.000 0.464 310 H N 2.802 121.845 119.070 -0.045 0.000 2.815 310 H HA 0.073 4.629 4.556 -0.000 0.000 0.350 310 H C 1.399 176.709 175.328 -0.029 0.000 1.080 310 H CA 1.183 57.206 56.048 -0.042 0.000 1.433 310 H CB 0.937 30.666 29.762 -0.056 0.000 1.432 310 H HN 0.613 nan 8.280 nan 0.000 0.592 311 E N 2.255 122.274 120.200 -0.302 0.000 2.219 311 E HA -0.147 4.203 4.350 0.000 0.000 0.198 311 E C 0.220 176.865 176.600 0.075 0.000 0.998 311 E CA 0.745 57.076 56.400 -0.115 0.000 0.818 311 E CB 0.136 29.719 29.700 -0.195 0.000 0.741 311 E HN 0.198 nan 8.360 nan 0.000 0.477 312 S N 0.093 116.000 115.700 0.345 0.000 2.475 312 S HA 0.167 4.637 4.470 0.000 0.000 0.298 312 S C 0.909 175.585 174.600 0.127 0.000 1.119 312 S CA -0.149 58.190 58.200 0.231 0.000 1.085 312 S CB 1.572 64.914 63.200 0.236 0.000 1.028 312 S HN 0.322 nan 8.310 nan 0.000 0.489 313 T N 3.390 117.987 114.554 0.071 0.000 2.962 313 T HA 0.001 4.351 4.350 0.000 0.000 0.270 313 T C 1.739 176.450 174.700 0.019 0.000 1.088 313 T CA 0.735 62.858 62.100 0.039 0.000 1.127 313 T CB -0.410 68.485 68.868 0.045 0.000 0.883 313 T HN 0.595 nan 8.240 nan 0.000 0.493 314 L N 0.389 121.630 121.223 0.030 0.000 2.201 314 L HA 0.012 4.352 4.340 0.000 0.000 0.212 314 L C 2.638 179.465 176.870 -0.073 0.000 1.105 314 L CA 0.604 55.466 54.840 0.036 0.000 0.775 314 L CB -0.387 41.709 42.059 0.062 0.000 0.913 314 L HN 0.216 nan 8.230 nan 0.000 0.440 315 V N -1.150 118.663 119.914 -0.170 0.000 2.575 315 V HA -0.130 3.990 4.120 0.000 0.000 0.242 315 V C 2.285 178.221 176.094 -0.264 0.000 1.045 315 V CA 0.928 63.034 62.300 -0.323 0.000 1.065 315 V CB -0.136 31.277 31.823 -0.683 0.000 0.717 315 V HN 0.381 nan 8.190 nan 0.000 0.467 316 Q N 0.027 119.738 119.800 -0.147 0.000 2.061 316 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 316 Q C 2.309 178.217 176.000 -0.154 0.000 0.984 316 Q CA 2.313 58.052 55.803 -0.107 0.000 0.846 316 Q CB -0.449 28.271 28.738 -0.029 0.000 0.902 316 Q HN 0.621 nan 8.270 nan 0.000 0.421 317 T N 1.799 116.259 114.554 -0.156 0.000 2.580 317 T HA -0.144 4.206 4.350 0.000 0.000 0.265 317 T C -0.969 173.460 174.700 -0.452 0.000 1.063 317 T CA 1.853 63.844 62.100 -0.181 0.000 1.170 317 T CB -1.297 67.544 68.868 -0.046 0.000 0.863 317 T HN 0.346 nan 8.240 nan 0.000 0.418 318 P HA 0.022 nan 4.420 nan 0.000 0.218 318 P C 1.385 178.308 177.300 -0.629 0.000 1.149 318 P CA 1.363 63.667 63.100 -1.326 0.000 0.817 318 P CB -0.139 30.322 31.700 -2.064 0.000 0.785 319 A N 0.307 122.867 122.820 -0.433 0.000 1.902 319 A HA -0.158 4.162 4.320 0.000 0.000 0.217 319 A C 2.238 179.714 177.584 -0.181 0.000 1.181 319 A CA 1.563 53.440 52.037 -0.267 0.000 0.623 319 A CB -1.626 17.247 19.000 -0.210 0.000 0.818 319 A HN 0.198 nan 8.150 nan 0.000 0.443 320 L N -0.390 120.742 121.223 -0.151 0.000 2.093 320 L HA -0.039 4.301 4.340 0.000 0.000 0.208 320 L C 2.327 179.203 176.870 0.011 0.000 1.085 320 L CA 2.317 57.122 54.840 -0.059 0.000 0.755 320 L CB -0.693 41.354 42.059 -0.019 0.000 0.904 320 L HN 0.384 nan 8.230 nan 0.000 0.435 321 R N -0.001 120.485 120.500 -0.024 0.000 2.091 321 R HA -0.100 4.240 4.340 0.000 0.000 0.238 321 R C 2.205 178.569 176.300 0.106 0.000 1.136 321 R CA 1.700 57.868 56.100 0.114 0.000 0.959 321 R CB -0.735 29.556 30.300 -0.015 0.000 0.856 321 R HN 0.507 nan 8.270 nan 0.000 0.437 322 A N -0.376 122.418 122.820 -0.042 0.000 1.877 322 A HA -0.098 4.222 4.320 0.000 0.000 0.216 322 A C 2.308 179.869 177.584 -0.038 0.000 1.186 322 A CA 1.729 53.742 52.037 -0.039 0.000 0.620 322 A CB -0.731 18.207 19.000 -0.104 0.000 0.822 322 A HN 0.197 nan 8.150 nan 0.000 0.443 323 V N 0.005 119.878 119.914 -0.068 0.000 2.343 323 V HA -0.200 3.920 4.120 0.000 0.000 0.247 323 V C 2.811 178.808 176.094 -0.162 0.000 1.051 323 V CA 2.015 64.256 62.300 -0.098 0.000 1.036 323 V CB -1.464 30.300 31.823 -0.098 0.000 0.654 323 V HN 0.622 nan 8.190 nan 0.000 0.451 324 G N 0.071 108.764 108.800 -0.177 0.000 2.422 324 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 324 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 324 G C 1.422 176.030 174.900 -0.487 0.000 1.146 324 G CA 0.861 45.610 45.100 -0.585 0.000 0.769 324 G HN 0.522 nan 8.290 nan 0.000 0.547 325 N N 0.591 119.278 118.700 -0.022 0.000 2.244 325 N HA -0.007 4.733 4.740 0.000 0.000 0.183 325 N C 2.207 177.691 175.510 -0.044 0.000 1.016 325 N CA 0.591 53.684 53.050 0.071 0.000 0.866 325 N CB -0.158 38.418 38.487 0.149 0.000 0.980 325 N HN 0.358 nan 8.380 nan 0.000 0.430 326 I N 0.813 121.337 120.570 -0.077 0.000 2.252 326 I HA -0.171 3.999 4.170 0.000 0.000 0.245 326 I C 1.830 177.877 176.117 -0.117 0.000 1.102 326 I CA 0.820 62.072 61.300 -0.080 0.000 1.385 326 I CB -0.275 37.684 38.000 -0.068 0.000 1.064 326 I HN -0.030 nan 8.210 nan 0.000 0.414 327 V N -1.512 118.293 119.914 -0.182 0.000 3.444 327 V HA -0.080 4.040 4.120 0.000 0.000 0.271 327 V C 2.071 178.045 176.094 -0.201 0.000 1.188 327 V CA 1.478 63.661 62.300 -0.193 0.000 1.168 327 V CB -1.836 29.842 31.823 -0.241 0.000 0.810 327 V HN 0.559 nan 8.190 nan 0.000 0.500 328 T N -2.508 111.937 114.554 -0.181 0.000 3.088 328 T HA 0.281 4.631 4.350 0.000 0.000 0.259 328 T C 1.263 175.910 174.700 -0.088 0.000 1.122 328 T CA 0.575 62.595 62.100 -0.134 0.000 1.095 328 T CB -0.236 68.595 68.868 -0.061 0.000 0.930 328 T HN 0.691 nan 8.240 nan 0.000 0.508 329 G N 2.499 111.248 108.800 -0.085 0.000 2.468 329 G HA2 0.358 4.318 3.960 0.000 0.000 0.264 329 G HA3 0.358 4.318 3.960 0.000 0.000 0.264 329 G C 0.087 174.950 174.900 -0.062 0.000 1.460 329 G CA -0.485 44.575 45.100 -0.067 0.000 1.060 329 G HN 0.706 nan 8.290 nan 0.000 0.543 330 N N -1.229 117.440 118.700 -0.052 0.000 2.379 330 N HA 0.175 4.915 4.740 0.000 0.000 0.260 330 N C 0.274 175.758 175.510 -0.044 0.000 1.254 330 N CA -0.064 52.960 53.050 -0.044 0.000 0.958 330 N CB 0.573 39.038 38.487 -0.036 0.000 1.208 330 N HN 0.316 nan 8.380 nan 0.000 0.532 331 D N -0.600 119.779 120.400 -0.036 0.000 2.158 331 D HA -0.113 4.527 4.640 0.000 0.000 0.197 331 D C 1.497 177.777 176.300 -0.032 0.000 0.995 331 D CA 1.142 55.122 54.000 -0.034 0.000 0.846 331 D CB -0.156 40.629 40.800 -0.025 0.000 0.941 331 D HN 0.349 nan 8.370 nan 0.000 0.456 332 L N 0.502 121.708 121.223 -0.029 0.000 2.056 332 L HA -0.125 4.215 4.340 0.000 0.000 0.207 332 L C 2.270 179.123 176.870 -0.029 0.000 1.078 332 L CA 1.533 56.358 54.840 -0.026 0.000 0.749 332 L CB -0.636 41.410 42.059 -0.021 0.000 0.901 332 L HN 0.081 nan 8.230 nan 0.000 0.433 333 Q N -1.463 118.316 119.800 -0.035 0.000 2.119 333 Q HA -0.155 4.185 4.340 0.000 0.000 0.201 333 Q C 2.034 178.006 176.000 -0.047 0.000 0.972 333 Q CA 1.846 57.625 55.803 -0.039 0.000 0.847 333 Q CB -0.347 28.365 28.738 -0.044 0.000 0.903 333 Q HN 0.471 nan 8.270 nan 0.000 0.433 334 T N 0.806 115.327 114.554 -0.054 0.000 2.821 334 T HA -0.166 4.184 4.350 0.000 0.000 0.267 334 T C 1.737 176.405 174.700 -0.053 0.000 1.046 334 T CA 1.299 63.360 62.100 -0.065 0.000 1.139 334 T CB -0.107 68.718 68.868 -0.072 0.000 0.871 334 T HN 0.148 nan 8.240 nan 0.000 0.454 335 Q N 0.972 120.747 119.800 -0.042 0.000 2.167 335 Q HA -0.035 4.305 4.340 0.000 0.000 0.202 335 Q C 2.128 178.109 176.000 -0.032 0.000 0.970 335 Q CA 1.049 56.831 55.803 -0.034 0.000 0.855 335 Q CB -0.659 28.063 28.738 -0.027 0.000 0.911 335 Q HN 0.361 nan 8.270 nan 0.000 0.438 336 V N -0.710 119.186 119.914 -0.031 0.000 2.343 336 V HA -0.243 3.877 4.120 0.000 0.000 0.247 336 V C 2.164 178.239 176.094 -0.031 0.000 1.051 336 V CA 1.687 63.971 62.300 -0.026 0.000 1.036 336 V CB -0.571 31.238 31.823 -0.023 0.000 0.654 336 V HN 0.244 nan 8.190 nan 0.000 0.451 337 V N -0.253 119.636 119.914 -0.042 0.000 2.427 337 V HA -0.213 3.907 4.120 0.000 0.000 0.248 337 V C 2.140 178.207 176.094 -0.045 0.000 1.051 337 V CA 1.879 64.150 62.300 -0.049 0.000 1.048 337 V CB -0.497 31.285 31.823 -0.068 0.000 0.666 337 V HN 0.451 nan 8.190 nan 0.000 0.456 338 I N 0.660 121.204 120.570 -0.044 0.000 2.315 338 I HA -0.172 3.998 4.170 0.000 0.000 0.248 338 I C 2.130 178.229 176.117 -0.030 0.000 1.117 338 I CA 1.236 62.513 61.300 -0.038 0.000 1.404 338 I CB -0.467 37.511 38.000 -0.037 0.000 1.071 338 I HN 0.359 nan 8.210 nan 0.000 0.419 339 N N 1.274 119.959 118.700 -0.026 0.000 2.459 339 N HA -0.042 4.698 4.740 0.000 0.000 0.181 339 N C 1.663 177.162 175.510 -0.018 0.000 1.046 339 N CA 1.086 54.124 53.050 -0.020 0.000 0.904 339 N CB -0.112 38.365 38.487 -0.017 0.000 0.964 339 N HN 0.312 nan 8.380 nan 0.000 0.444 340 A N 0.182 122.990 122.820 -0.021 0.000 2.206 340 A HA 0.349 4.669 4.320 0.000 0.000 0.211 340 A C 1.392 178.965 177.584 -0.020 0.000 1.158 340 A CA 0.776 52.802 52.037 -0.018 0.000 0.761 340 A CB -0.312 18.675 19.000 -0.022 0.000 0.801 340 A HN 0.279 nan 8.150 nan 0.000 0.473 341 G N -1.402 107.384 108.800 -0.023 0.000 2.203 341 G HA2 -0.185 3.776 3.960 0.000 0.000 0.231 341 G HA3 -0.185 3.776 3.960 0.000 0.000 0.231 341 G C 0.770 175.654 174.900 -0.027 0.000 1.058 341 G CA 0.487 45.574 45.100 -0.022 0.000 0.781 341 G HN 0.969 nan 8.290 nan 0.000 0.496 342 V N 0.123 120.016 119.914 -0.034 0.000 2.626 342 V HA -0.005 4.115 4.120 0.000 0.000 0.252 342 V C 2.661 178.734 176.094 -0.036 0.000 1.067 342 V CA 2.489 64.764 62.300 -0.040 0.000 1.081 342 V CB -0.229 31.561 31.823 -0.055 0.000 0.686 342 V HN 0.563 nan 8.190 nan 0.000 0.468 343 L N 0.219 121.423 121.223 -0.031 0.000 1.994 343 L HA -0.089 4.251 4.340 0.000 0.000 0.208 343 L C 0.139 176.999 176.870 -0.017 0.000 1.071 343 L CA 1.847 56.672 54.840 -0.025 0.000 0.745 343 L CB -2.087 39.958 42.059 -0.023 0.000 0.892 343 L HN 0.323 nan 8.230 nan 0.000 0.431 344 P HA -0.136 nan 4.420 nan 0.000 0.218 344 P C 1.428 178.721 177.300 -0.011 0.000 1.149 344 P CA 1.591 64.684 63.100 -0.011 0.000 0.817 344 P CB 0.024 31.716 31.700 -0.012 0.000 0.785 345 A N -0.644 122.166 122.820 -0.016 0.000 1.930 345 A HA -0.136 4.184 4.320 0.000 0.000 0.217 345 A C 2.134 179.710 177.584 -0.013 0.000 1.175 345 A CA 1.254 53.281 52.037 -0.016 0.000 0.627 345 A CB -1.599 17.387 19.000 -0.023 0.000 0.815 345 A HN 0.117 nan 8.150 nan 0.000 0.443 346 L N -1.218 119.996 121.223 -0.016 0.000 2.131 346 L HA -0.141 4.199 4.340 0.000 0.000 0.210 346 L C 2.736 179.606 176.870 -0.000 0.000 1.092 346 L CA 1.239 56.073 54.840 -0.010 0.000 0.759 346 L CB -0.407 41.642 42.059 -0.017 0.000 0.903 346 L HN 0.404 nan 8.230 nan 0.000 0.435 347 R N 0.296 120.796 120.500 -0.000 0.000 2.127 347 R HA -0.169 4.171 4.340 0.000 0.000 0.238 347 R C 2.177 178.480 176.300 0.006 0.000 1.134 347 R CA 1.313 57.416 56.100 0.005 0.000 0.975 347 R CB -0.110 30.192 30.300 0.004 0.000 0.865 347 R HN 0.371 nan 8.270 nan 0.000 0.447 348 L N -0.057 121.168 121.223 0.003 0.000 2.179 348 L HA -0.082 4.258 4.340 0.000 0.000 0.208 348 L C 2.147 179.022 176.870 0.007 0.000 1.096 348 L CA 0.653 55.495 54.840 0.004 0.000 0.779 348 L CB -0.275 41.785 42.059 0.000 0.000 0.922 348 L HN 0.210 nan 8.230 nan 0.000 0.443 349 L N -0.201 121.027 121.223 0.008 0.000 2.217 349 L HA -0.142 4.198 4.340 0.000 0.000 0.211 349 L C 2.337 179.219 176.870 0.020 0.000 1.107 349 L CA 0.749 55.597 54.840 0.013 0.000 0.783 349 L CB -0.313 41.754 42.059 0.012 0.000 0.919 349 L HN 0.282 nan 8.230 nan 0.000 0.442 350 L N -1.132 120.102 121.223 0.019 0.000 2.362 350 L HA -0.102 4.238 4.340 0.000 0.000 0.219 350 L C 1.997 178.879 176.870 0.020 0.000 1.134 350 L CA 0.591 55.444 54.840 0.023 0.000 0.807 350 L CB -0.227 41.845 42.059 0.022 0.000 0.927 350 L HN 0.147 nan 8.230 nan 0.000 0.447 351 S N -1.457 114.253 115.700 0.017 0.000 2.540 351 S HA 0.030 4.500 4.470 0.000 0.000 0.218 351 S C 0.884 175.494 174.600 0.016 0.000 0.977 351 S CA -0.161 58.048 58.200 0.015 0.000 0.918 351 S CB 0.202 63.409 63.200 0.012 0.000 0.806 351 S HN 0.306 nan 8.310 nan 0.000 0.496 352 S N 3.705 119.416 115.700 0.019 0.000 2.546 352 S HA 0.067 4.537 4.470 0.000 0.000 0.290 352 S C -1.163 173.450 174.600 0.022 0.000 1.290 352 S CA -1.110 57.102 58.200 0.020 0.000 1.069 352 S CB 0.725 63.939 63.200 0.023 0.000 0.846 352 S HN 0.196 nan 8.310 nan 0.000 0.495 353 P HA -0.071 nan 4.420 nan 0.000 0.228 353 P C -0.106 177.210 177.300 0.026 0.000 1.151 353 P CA 0.644 63.757 63.100 0.022 0.000 0.770 353 P CB 0.040 31.752 31.700 0.020 0.000 0.786 354 K N 1.005 121.422 120.400 0.029 0.000 2.284 354 K HA 0.053 4.373 4.320 0.000 0.000 0.287 354 K C 1.283 177.903 176.600 0.034 0.000 1.081 354 K CA -0.197 56.110 56.287 0.034 0.000 0.910 354 K CB 0.610 33.133 32.500 0.038 0.000 1.088 354 K HN -0.338 nan 8.250 nan 0.000 0.478 355 E N 3.559 123.780 120.200 0.034 0.000 2.070 355 E HA -0.251 4.099 4.350 0.000 0.000 0.197 355 E C 0.693 177.314 176.600 0.035 0.000 1.004 355 E CA 1.842 58.261 56.400 0.033 0.000 0.805 355 E CB -0.001 29.718 29.700 0.032 0.000 0.744 355 E HN 0.707 nan 8.360 nan 0.000 0.451 356 N N -0.089 118.633 118.700 0.037 0.000 2.364 356 N HA -0.109 4.631 4.740 0.000 0.000 0.183 356 N C 1.755 177.294 175.510 0.048 0.000 1.022 356 N CA 0.883 53.956 53.050 0.038 0.000 0.883 356 N CB -0.084 38.429 38.487 0.043 0.000 0.965 356 N HN 0.335 nan 8.380 nan 0.000 0.438 357 I N 0.892 121.490 120.570 0.047 0.000 2.333 357 I HA -0.160 4.010 4.170 0.000 0.000 0.246 357 I C 1.969 178.119 176.117 0.055 0.000 1.106 357 I CA 0.823 62.153 61.300 0.049 0.000 1.411 357 I CB 0.013 38.035 38.000 0.036 0.000 1.082 357 I HN 0.018 nan 8.210 nan 0.000 0.420 358 K N 0.884 121.312 120.400 0.047 0.000 2.057 358 K HA -0.218 4.102 4.320 0.000 0.000 0.207 358 K C 2.144 178.782 176.600 0.063 0.000 1.049 358 K CA 1.243 57.558 56.287 0.047 0.000 0.931 358 K CB -0.115 32.407 32.500 0.037 0.000 0.714 358 K HN 0.168 nan 8.250 nan 0.000 0.440 359 K N 1.592 122.028 120.400 0.059 0.000 2.009 359 K HA -0.191 4.129 4.320 0.000 0.000 0.210 359 K C 1.706 178.386 176.600 0.132 0.000 1.049 359 K CA 1.650 57.976 56.287 0.066 0.000 0.929 359 K CB 0.083 32.599 32.500 0.027 0.000 0.714 359 K HN 0.133 nan 8.250 nan 0.000 0.440 360 E N -0.293 119.996 120.200 0.149 0.000 2.347 360 E HA -0.111 4.239 4.350 0.000 0.000 0.196 360 E C 1.783 178.567 176.600 0.307 0.000 1.008 360 E CA 0.595 57.186 56.400 0.317 0.000 0.852 360 E CB 0.112 29.977 29.700 0.275 0.000 0.783 360 E HN 0.426 nan 8.360 nan 0.000 0.505 361 A N 0.734 123.649 122.820 0.158 0.000 1.897 361 A HA -0.136 4.184 4.320 0.000 0.000 0.215 361 A C 2.389 180.023 177.584 0.084 0.000 1.181 361 A CA 0.797 52.888 52.037 0.090 0.000 0.620 361 A CB -0.627 18.406 19.000 0.055 0.000 0.821 361 A HN 0.314 nan 8.150 nan 0.000 0.443 362 C N -2.473 116.895 119.300 0.113 0.000 2.440 362 C HA -0.105 4.355 4.460 0.000 0.000 0.278 362 C C 2.324 177.404 174.990 0.150 0.000 1.295 362 C CA 0.505 59.588 59.018 0.109 0.000 1.738 362 C CB -1.543 26.261 27.740 0.107 0.000 1.987 362 C HN 0.886 nan 8.230 nan 0.000 0.492 363 W N 2.082 123.380 121.300 -0.003 0.000 2.354 363 W HA -0.155 4.505 4.660 -0.000 0.000 0.315 363 W C 2.265 178.765 176.519 -0.033 0.000 1.206 363 W CA 2.307 59.636 57.345 -0.026 0.000 1.290 363 W CB -1.010 28.427 29.460 -0.037 0.000 1.152 363 W HN 0.178 nan 8.180 nan 0.000 0.489 364 T N 1.800 116.179 114.554 -0.292 0.000 2.652 364 T HA -0.262 4.088 4.350 0.000 0.000 0.267 364 T C 1.904 176.431 174.700 -0.289 0.000 1.039 364 T CA 2.526 64.325 62.100 -0.502 0.000 1.153 364 T CB -0.583 68.118 68.868 -0.279 0.000 0.863 364 T HN 0.206 nan 8.240 nan 0.000 0.428 365 I N 1.863 122.356 120.570 -0.129 0.000 2.208 365 I HA -0.205 3.965 4.170 0.000 0.000 0.245 365 I C 2.811 178.894 176.117 -0.057 0.000 1.097 365 I CA 1.501 62.759 61.300 -0.070 0.000 1.363 365 I CB -0.547 37.447 38.000 -0.011 0.000 1.051 365 I HN 0.348 nan 8.210 nan 0.000 0.413 366 S N 0.687 116.366 115.700 -0.035 0.000 2.419 366 S HA -0.129 4.341 4.470 0.000 0.000 0.233 366 S C 1.606 176.173 174.600 -0.056 0.000 1.016 366 S CA 1.025 59.236 58.200 0.019 0.000 0.974 366 S CB -0.440 62.831 63.200 0.119 0.000 0.786 366 S HN 0.434 nan 8.310 nan 0.000 0.492 367 N N 0.847 119.436 118.700 -0.185 0.000 2.461 367 N HA 0.296 5.036 4.740 0.000 0.000 0.188 367 N C 1.151 176.572 175.510 -0.148 0.000 1.134 367 N CA 0.444 53.370 53.050 -0.206 0.000 0.878 367 N CB 0.020 38.291 38.487 -0.359 0.000 0.972 367 N HN 0.551 nan 8.380 nan 0.000 0.456 368 I N -0.218 120.284 120.570 -0.113 0.000 3.445 368 I HA -0.075 4.095 4.170 0.000 0.000 0.288 368 I C 1.861 177.955 176.117 -0.038 0.000 1.198 368 I CA 0.710 61.962 61.300 -0.080 0.000 1.417 368 I CB 0.012 37.965 38.000 -0.078 0.000 1.205 368 I HN 0.036 nan 8.210 nan 0.000 0.448 369 T N -0.918 113.626 114.554 -0.016 0.000 3.118 369 T HA 0.131 4.481 4.350 0.000 0.000 0.260 369 T C 1.633 176.349 174.700 0.027 0.000 1.139 369 T CA 0.699 62.808 62.100 0.016 0.000 1.085 369 T CB -0.019 68.873 68.868 0.041 0.000 0.934 369 T HN 0.242 nan 8.240 nan 0.000 0.518 370 A N 0.963 123.791 122.820 0.013 0.000 2.238 370 A HA 0.603 4.923 4.320 0.000 0.000 0.208 370 A C 1.545 179.132 177.584 0.005 0.000 1.177 370 A CA 0.277 52.328 52.037 0.024 0.000 0.804 370 A CB -0.783 18.219 19.000 0.002 0.000 0.823 370 A HN 0.613 nan 8.150 nan 0.000 0.482 371 G N 0.488 109.283 108.800 -0.009 0.000 2.582 371 G HA2 0.345 4.305 3.960 0.000 0.000 0.232 371 G HA3 0.345 4.305 3.960 0.000 0.000 0.232 371 G C 0.115 175.013 174.900 -0.003 0.000 1.458 371 G CA -0.081 45.011 45.100 -0.014 0.000 1.062 371 G HN 0.628 nan 8.290 nan 0.000 0.566 372 N N -1.796 116.900 118.700 -0.007 0.000 2.381 372 N HA 0.182 4.922 4.740 0.000 0.000 0.254 372 N C 1.065 176.575 175.510 -0.000 0.000 1.264 372 N CA 0.353 53.401 53.050 -0.003 0.000 0.942 372 N CB 0.196 38.679 38.487 -0.006 0.000 1.190 372 N HN 0.228 nan 8.380 nan 0.000 0.495 373 T N -0.050 114.506 114.554 0.003 0.000 2.685 373 T HA -0.207 4.143 4.350 0.000 0.000 0.268 373 T C 1.057 175.755 174.700 -0.002 0.000 1.034 373 T CA 1.840 63.943 62.100 0.004 0.000 1.149 373 T CB -0.418 68.453 68.868 0.004 0.000 0.860 373 T HN 0.605 nan 8.240 nan 0.000 0.449 374 E N 0.679 120.875 120.200 -0.007 0.000 2.152 374 E HA -0.104 4.246 4.350 0.000 0.000 0.192 374 E C 2.486 179.076 176.600 -0.016 0.000 0.983 374 E CA 0.748 57.140 56.400 -0.013 0.000 0.818 374 E CB -0.079 29.613 29.700 -0.014 0.000 0.758 374 E HN 0.607 nan 8.360 nan 0.000 0.467 375 Q N 0.233 120.025 119.800 -0.014 0.000 2.187 375 Q HA -0.048 4.292 4.340 0.000 0.000 0.199 375 Q C 2.209 178.202 176.000 -0.013 0.000 0.957 375 Q CA 0.755 56.547 55.803 -0.018 0.000 0.857 375 Q CB 0.077 28.802 28.738 -0.022 0.000 0.929 375 Q HN 0.333 nan 8.270 nan 0.000 0.453 376 I N 0.581 121.149 120.570 -0.004 0.000 2.252 376 I HA -0.267 3.903 4.170 0.000 0.000 0.245 376 I C 2.479 178.598 176.117 0.004 0.000 1.102 376 I CA 0.982 62.287 61.300 0.009 0.000 1.385 376 I CB -0.127 37.885 38.000 0.020 0.000 1.064 376 I HN 0.197 nan 8.210 nan 0.000 0.414 377 Q N 1.381 121.176 119.800 -0.009 0.000 2.124 377 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 377 Q C 2.143 178.119 176.000 -0.040 0.000 0.977 377 Q CA 2.089 57.874 55.803 -0.030 0.000 0.850 377 Q CB -0.282 28.437 28.738 -0.032 0.000 0.901 377 Q HN 0.489 nan 8.270 nan 0.000 0.429 378 A N -0.680 122.123 122.820 -0.029 0.000 1.902 378 A HA -0.125 4.195 4.320 0.000 0.000 0.217 378 A C 2.256 179.825 177.584 -0.025 0.000 1.181 378 A CA 1.618 53.637 52.037 -0.030 0.000 0.623 378 A CB -0.837 18.147 19.000 -0.026 0.000 0.818 378 A HN 0.262 nan 8.150 nan 0.000 0.443 379 V N 0.285 120.191 119.914 -0.013 0.000 2.407 379 V HA -0.276 3.844 4.120 0.000 0.000 0.248 379 V C 2.401 178.503 176.094 0.014 0.000 1.055 379 V CA 1.997 64.298 62.300 0.002 0.000 1.049 379 V CB -0.677 31.156 31.823 0.016 0.000 0.662 379 V HN 0.568 nan 8.190 nan 0.000 0.455 380 I N 0.096 120.666 120.570 -0.000 0.000 2.202 380 I HA -0.205 3.965 4.170 0.000 0.000 0.242 380 I C 2.197 178.252 176.117 -0.104 0.000 1.091 380 I CA 1.614 62.893 61.300 -0.035 0.000 1.368 380 I CB -0.535 37.383 38.000 -0.137 0.000 1.058 380 I HN 0.319 nan 8.210 nan 0.000 0.410 381 D N 1.189 121.529 120.400 -0.101 0.000 2.263 381 D HA -0.095 4.545 4.640 0.000 0.000 0.208 381 D C 1.906 178.176 176.300 -0.049 0.000 0.971 381 D CA 1.149 55.094 54.000 -0.091 0.000 0.867 381 D CB -0.004 40.752 40.800 -0.073 0.000 0.929 381 D HN 0.351 nan 8.370 nan 0.000 0.492 382 A N 0.471 123.275 122.820 -0.028 0.000 2.251 382 A HA -0.025 4.295 4.320 0.000 0.000 0.209 382 A C 0.834 178.420 177.584 0.004 0.000 1.187 382 A CA 0.038 52.068 52.037 -0.012 0.000 0.823 382 A CB -0.158 18.836 19.000 -0.010 0.000 0.846 382 A HN 0.085 nan 8.150 nan 0.000 0.486 383 N N -1.817 116.892 118.700 0.015 0.000 2.780 383 N HA -0.140 4.600 4.740 0.000 0.000 0.248 383 N C 0.186 175.731 175.510 0.058 0.000 1.102 383 N CA 0.562 53.642 53.050 0.050 0.000 0.697 383 N CB -1.471 37.037 38.487 0.034 0.000 1.028 383 N HN 0.263 nan 8.380 nan 0.000 0.554 384 L N 0.115 121.375 121.223 0.061 0.000 2.477 384 L HA 0.219 4.559 4.340 0.000 0.000 0.220 384 L C 2.101 179.009 176.870 0.064 0.000 1.106 384 L CA 0.365 55.236 54.840 0.051 0.000 0.851 384 L CB -0.196 41.884 42.059 0.035 0.000 0.994 384 L HN 0.298 nan 8.230 nan 0.000 0.462 385 I N 0.587 121.221 120.570 0.108 0.000 2.202 385 I HA -0.147 4.023 4.170 0.000 0.000 0.242 385 I C -0.072 176.059 176.117 0.023 0.000 1.091 385 I CA 1.324 62.673 61.300 0.082 0.000 1.368 385 I CB -2.285 35.799 38.000 0.140 0.000 1.058 385 I HN 0.156 nan 8.210 nan 0.000 0.410 386 P HA -0.126 nan 4.420 nan 0.000 0.214 386 P C -1.168 176.133 177.300 0.002 0.000 1.163 386 P CA 2.192 65.293 63.100 0.002 0.000 0.889 386 P CB -1.280 30.434 31.700 0.024 0.000 0.790 387 P HA -0.129 nan 4.420 nan 0.000 0.220 387 P C 1.587 178.894 177.300 0.012 0.000 1.148 387 P CA 1.120 64.227 63.100 0.012 0.000 0.803 387 P CB -0.231 31.480 31.700 0.018 0.000 0.782 388 L N 0.061 121.293 121.223 0.015 0.000 2.027 388 L HA -0.096 4.244 4.340 0.000 0.000 0.206 388 L C 2.729 179.601 176.870 0.002 0.000 1.074 388 L CA 1.523 56.373 54.840 0.016 0.000 0.745 388 L CB -1.403 40.671 42.059 0.024 0.000 0.898 388 L HN -0.217 nan 8.230 nan 0.000 0.433 389 V N -0.399 119.507 119.914 -0.014 0.000 2.392 389 V HA -0.305 3.815 4.120 0.000 0.000 0.249 389 V C 2.600 178.681 176.094 -0.022 0.000 1.059 389 V CA 1.839 64.122 62.300 -0.030 0.000 1.051 389 V CB -0.648 31.140 31.823 -0.058 0.000 0.658 389 V HN 0.424 nan 8.190 nan 0.000 0.455 390 K N 0.539 120.930 120.400 -0.014 0.000 2.026 390 K HA -0.104 4.216 4.320 0.000 0.000 0.208 390 K C 1.913 178.513 176.600 -0.000 0.000 1.048 390 K CA 1.670 57.952 56.287 -0.009 0.000 0.929 390 K CB -0.569 31.929 32.500 -0.004 0.000 0.713 390 K HN 0.404 nan 8.250 nan 0.000 0.439 391 L N 0.376 121.602 121.223 0.006 0.000 2.083 391 L HA -0.121 4.219 4.340 0.000 0.000 0.209 391 L C 2.419 179.295 176.870 0.010 0.000 1.083 391 L CA 0.964 55.811 54.840 0.012 0.000 0.752 391 L CB -0.440 41.630 42.059 0.018 0.000 0.899 391 L HN 0.258 nan 8.230 nan 0.000 0.433 392 L N 0.009 121.235 121.223 0.005 0.000 2.189 392 L HA -0.262 4.078 4.340 0.000 0.000 0.214 392 L C 2.467 179.341 176.870 0.007 0.000 1.097 392 L CA 1.583 56.425 54.840 0.002 0.000 0.764 392 L CB -0.071 41.983 42.059 -0.008 0.000 0.900 392 L HN 0.437 nan 8.230 nan 0.000 0.436 393 E N -0.900 119.302 120.200 0.004 0.000 2.127 393 E HA -0.121 4.229 4.350 0.000 0.000 0.191 393 E C 1.826 178.435 176.600 0.015 0.000 0.964 393 E CA 1.178 57.581 56.400 0.006 0.000 0.832 393 E CB 0.315 30.011 29.700 -0.006 0.000 0.790 393 E HN 0.394 nan 8.360 nan 0.000 0.465 394 V N -1.926 117.996 119.914 0.015 0.000 3.635 394 V HA 0.514 4.634 4.120 0.000 0.000 0.266 394 V C 0.964 177.074 176.094 0.027 0.000 1.316 394 V CA 0.096 62.407 62.300 0.019 0.000 1.060 394 V CB 0.116 31.947 31.823 0.013 0.000 0.820 394 V HN 0.241 nan 8.190 nan 0.000 0.447 395 A N 1.210 124.046 122.820 0.028 0.000 2.346 395 A HA 0.425 4.745 4.320 0.000 0.000 0.255 395 A C 0.562 178.174 177.584 0.047 0.000 1.113 395 A CA -0.147 51.909 52.037 0.031 0.000 0.798 395 A CB -0.064 18.951 19.000 0.024 0.000 1.073 395 A HN 0.509 nan 8.150 nan 0.000 0.502 396 E N -1.009 119.221 120.200 0.050 0.000 2.428 396 E HA -0.016 4.334 4.350 0.000 0.000 0.257 396 E C 0.663 177.323 176.600 0.100 0.000 1.197 396 E CA 0.050 56.497 56.400 0.078 0.000 0.974 396 E CB 0.034 29.775 29.700 0.067 0.000 0.976 396 E HN 0.670 nan 8.360 nan 0.000 0.463 397 Y N 2.472 122.784 120.300 0.021 0.000 2.128 397 Y HA -0.274 4.276 4.550 0.000 0.000 0.284 397 Y C 2.211 178.133 175.900 0.035 0.000 1.154 397 Y CA 2.584 60.698 58.100 0.024 0.000 1.149 397 Y CB -0.075 38.397 38.460 0.019 0.000 0.976 397 Y HN 0.538 nan 8.280 nan 0.000 0.505 398 K N -1.746 118.616 120.400 -0.063 0.000 2.211 398 K HA -0.145 4.175 4.320 0.000 0.000 0.204 398 K C 1.630 178.154 176.600 -0.126 0.000 1.047 398 K CA 1.922 58.130 56.287 -0.131 0.000 0.935 398 K CB -0.602 31.892 32.500 -0.009 0.000 0.728 398 K HN 0.242 nan 8.250 nan 0.000 0.452 399 T N 1.052 115.561 114.554 -0.075 0.000 2.939 399 T HA 0.040 4.390 4.350 0.000 0.000 0.254 399 T C 1.535 176.205 174.700 -0.049 0.000 1.041 399 T CA 0.738 62.819 62.100 -0.031 0.000 1.142 399 T CB 0.040 68.912 68.868 0.006 0.000 0.874 399 T HN 0.264 nan 8.240 nan 0.000 0.452 400 K N 1.400 121.750 120.400 -0.082 0.000 2.074 400 K HA -0.147 4.173 4.320 0.000 0.000 0.209 400 K C 2.321 178.850 176.600 -0.119 0.000 1.048 400 K CA 1.271 57.515 56.287 -0.073 0.000 0.926 400 K CB -0.135 32.343 32.500 -0.037 0.000 0.713 400 K HN 0.207 nan 8.250 nan 0.000 0.444 401 K N 1.169 121.393 120.400 -0.292 0.000 2.044 401 K HA -0.256 4.064 4.320 0.000 0.000 0.210 401 K C 2.020 178.651 176.600 0.051 0.000 1.049 401 K CA 1.852 57.988 56.287 -0.252 0.000 0.927 401 K CB 0.032 32.264 32.500 -0.448 0.000 0.713 401 K HN -0.021 nan 8.250 nan 0.000 0.443 402 E N -0.103 120.138 120.200 0.069 0.000 2.072 402 E HA -0.062 4.288 4.350 0.000 0.000 0.191 402 E C 1.674 178.380 176.600 0.177 0.000 0.985 402 E CA 1.275 57.788 56.400 0.188 0.000 0.801 402 E CB -0.178 29.607 29.700 0.142 0.000 0.750 402 E HN 0.423 nan 8.360 nan 0.000 0.452 403 A N -0.021 122.851 122.820 0.088 0.000 1.933 403 A HA -0.220 4.100 4.320 0.000 0.000 0.218 403 A C 2.515 180.137 177.584 0.063 0.000 1.175 403 A CA 1.514 53.592 52.037 0.068 0.000 0.628 403 A CB -1.185 17.833 19.000 0.030 0.000 0.814 403 A HN 0.495 nan 8.150 nan 0.000 0.444 404 C N -1.738 117.582 119.300 0.034 0.000 2.436 404 C HA -0.156 4.304 4.460 0.000 0.000 0.277 404 C C 2.377 177.362 174.990 -0.007 0.000 1.241 404 C CA 1.206 60.205 59.018 -0.031 0.000 1.721 404 C CB -1.663 26.009 27.740 -0.113 0.000 2.043 404 C HN 0.752 nan 8.230 nan 0.000 0.472 405 W N 0.939 122.243 121.300 0.006 0.000 2.321 405 W HA -0.142 4.518 4.660 0.000 0.000 0.306 405 W C 2.692 179.221 176.519 0.016 0.000 1.217 405 W CA 1.952 59.308 57.345 0.019 0.000 1.257 405 W CB -0.592 28.893 29.460 0.040 0.000 1.145 405 W HN 0.449 nan 8.180 nan 0.000 0.509 406 A N 0.028 123.007 122.820 0.266 0.000 1.883 406 A HA -0.203 4.117 4.320 0.000 0.000 0.217 406 A C 1.857 179.503 177.584 0.103 0.000 1.186 406 A CA 1.934 54.063 52.037 0.154 0.000 0.624 406 A CB -0.962 18.102 19.000 0.107 0.000 0.822 406 A HN 0.311 nan 8.150 nan 0.000 0.444 407 I N -1.100 119.513 120.570 0.071 0.000 2.353 407 I HA -0.158 4.012 4.170 0.000 0.000 0.248 407 I C 2.793 178.924 176.117 0.024 0.000 1.119 407 I CA 1.339 62.660 61.300 0.034 0.000 1.417 407 I CB -0.220 37.783 38.000 0.005 0.000 1.078 407 I HN 0.397 nan 8.210 nan 0.000 0.421 408 S N 1.042 116.747 115.700 0.008 0.000 2.368 408 S HA -0.148 4.322 4.470 0.000 0.000 0.224 408 S C 1.865 176.487 174.600 0.037 0.000 1.029 408 S CA 1.451 59.638 58.200 -0.022 0.000 0.988 408 S CB -0.233 62.887 63.200 -0.133 0.000 0.838 408 S HN 0.396 nan 8.310 nan 0.000 0.462 409 N N 1.862 120.628 118.700 0.109 0.000 2.166 409 N HA -0.009 4.731 4.740 0.000 0.000 0.186 409 N C 1.856 177.413 175.510 0.077 0.000 1.019 409 N CA 1.274 54.400 53.050 0.127 0.000 0.856 409 N CB -0.795 37.793 38.487 0.168 0.000 0.993 409 N HN 0.504 nan 8.380 nan 0.000 0.426 410 A N 0.939 123.800 122.820 0.068 0.000 1.902 410 A HA -0.148 4.172 4.320 0.000 0.000 0.217 410 A C 2.379 179.993 177.584 0.049 0.000 1.181 410 A CA 2.097 54.168 52.037 0.057 0.000 0.623 410 A CB -0.811 18.225 19.000 0.061 0.000 0.818 410 A HN 0.466 nan 8.150 nan 0.000 0.443 411 S N -0.554 115.168 115.700 0.037 0.000 2.447 411 S HA -0.080 4.390 4.470 0.000 0.000 0.233 411 S C 1.850 176.467 174.600 0.029 0.000 1.006 411 S CA 1.392 59.608 58.200 0.028 0.000 0.957 411 S CB -0.529 62.677 63.200 0.010 0.000 0.773 411 S HN 0.415 nan 8.310 nan 0.000 0.507 412 S N 1.575 117.296 115.700 0.035 0.000 2.402 412 S HA 0.071 4.541 4.470 0.000 0.000 0.229 412 S C 1.895 176.515 174.600 0.034 0.000 1.021 412 S CA 0.999 59.221 58.200 0.036 0.000 0.974 412 S CB -0.793 62.436 63.200 0.048 0.000 0.800 412 S HN 0.784 nan 8.310 nan 0.000 0.484 413 G N 0.584 109.405 108.800 0.035 0.000 2.848 413 G HA2 0.184 4.144 3.960 0.000 0.000 0.208 413 G HA3 0.184 4.144 3.960 0.000 0.000 0.208 413 G C 1.184 176.102 174.900 0.031 0.000 1.152 413 G CA 0.495 45.614 45.100 0.031 0.000 0.789 413 G HN 0.530 nan 8.290 nan 0.000 0.531 414 G N 0.973 109.793 108.800 0.033 0.000 2.448 414 G HA2 -0.093 3.867 3.960 0.000 0.000 0.218 414 G HA3 -0.093 3.867 3.960 0.000 0.000 0.218 414 G C 1.682 176.599 174.900 0.028 0.000 1.135 414 G CA 0.316 45.436 45.100 0.033 0.000 0.784 414 G HN 0.427 nan 8.290 nan 0.000 0.543 415 L N -0.189 121.050 121.223 0.027 0.000 2.042 415 L HA -0.179 4.161 4.340 0.000 0.000 0.210 415 L C 3.067 179.951 176.870 0.023 0.000 1.076 415 L CA 1.361 56.216 54.840 0.025 0.000 0.749 415 L CB -0.483 41.592 42.059 0.026 0.000 0.893 415 L HN 0.330 nan 8.230 nan 0.000 0.432 416 Q N -0.064 119.749 119.800 0.022 0.000 1.879 416 Q HA -0.012 4.328 4.340 0.000 0.000 0.214 416 Q C 0.667 176.678 176.000 0.019 0.000 0.973 416 Q CA 0.708 56.522 55.803 0.018 0.000 0.856 416 Q CB -0.050 28.698 28.738 0.016 0.000 0.907 416 Q HN 0.354 nan 8.270 nan 0.000 0.436 417 R N 2.717 123.229 120.500 0.020 0.000 2.272 417 R HA 0.083 4.423 4.340 0.000 0.000 0.334 417 R C -1.747 174.570 176.300 0.029 0.000 1.117 417 R CA -1.069 55.043 56.100 0.021 0.000 0.966 417 R CB 0.484 30.795 30.300 0.018 0.000 1.049 417 R HN 0.317 nan 8.270 nan 0.000 0.477 418 P HA -0.154 nan 4.420 nan 0.000 0.220 418 P C -0.100 177.227 177.300 0.045 0.000 1.148 418 P CA 1.167 64.287 63.100 0.033 0.000 0.803 418 P CB 0.370 32.086 31.700 0.028 0.000 0.782 419 D N -0.295 120.132 120.400 0.045 0.000 2.310 419 D HA -0.060 4.580 4.640 0.000 0.000 0.212 419 D C 2.008 178.365 176.300 0.095 0.000 0.965 419 D CA 0.619 54.656 54.000 0.061 0.000 0.879 419 D CB -0.588 40.237 40.800 0.042 0.000 0.921 419 D HN 0.232 nan 8.370 nan 0.000 0.510 420 I N 0.400 121.020 120.570 0.082 0.000 2.202 420 I HA -0.208 3.962 4.170 0.000 0.000 0.242 420 I C 1.882 178.077 176.117 0.131 0.000 1.091 420 I CA 0.595 61.964 61.300 0.115 0.000 1.368 420 I CB -0.047 37.999 38.000 0.076 0.000 1.058 420 I HN 0.060 nan 8.210 nan 0.000 0.410 421 I N 0.664 121.283 120.570 0.082 0.000 2.252 421 I HA -0.241 3.929 4.170 0.000 0.000 0.245 421 I C 2.626 178.782 176.117 0.065 0.000 1.102 421 I CA 1.517 62.852 61.300 0.059 0.000 1.385 421 I CB -1.209 36.815 38.000 0.040 0.000 1.064 421 I HN 0.257 nan 8.210 nan 0.000 0.414 422 R N -0.365 120.186 120.500 0.084 0.000 2.091 422 R HA -0.242 4.098 4.340 0.000 0.000 0.238 422 R C 2.373 178.737 176.300 0.106 0.000 1.136 422 R CA 1.666 57.821 56.100 0.092 0.000 0.959 422 R CB -0.568 29.788 30.300 0.092 0.000 0.856 422 R HN 0.335 nan 8.270 nan 0.000 0.437 423 Y N 1.218 121.530 120.300 0.020 0.000 2.200 423 Y HA -0.172 4.378 4.550 0.000 0.000 0.290 423 Y C 1.841 177.745 175.900 0.006 0.000 1.137 423 Y CA 1.130 59.238 58.100 0.012 0.000 1.163 423 Y CB -0.271 38.194 38.460 0.008 0.000 0.988 423 Y HN -0.114 nan 8.280 nan 0.000 0.518 424 L N -0.557 120.574 121.223 -0.153 0.000 2.012 424 L HA -0.226 4.114 4.340 0.000 0.000 0.210 424 L C 2.543 179.284 176.870 -0.214 0.000 1.073 424 L CA 1.578 56.287 54.840 -0.218 0.000 0.748 424 L CB -1.363 40.663 42.059 -0.055 0.000 0.891 424 L HN 0.143 nan 8.230 nan 0.000 0.431 425 V N -0.595 119.251 119.914 -0.112 0.000 2.490 425 V HA -0.247 3.873 4.120 0.000 0.000 0.250 425 V C 2.590 178.590 176.094 -0.156 0.000 1.061 425 V CA 1.583 63.829 62.300 -0.089 0.000 1.064 425 V CB -0.892 30.957 31.823 0.045 0.000 0.670 425 V HN 0.684 nan 8.190 nan 0.000 0.461 426 S N -0.131 115.476 115.700 -0.154 0.000 2.382 426 S HA -0.226 4.244 4.470 0.000 0.000 0.228 426 S C 1.713 176.183 174.600 -0.216 0.000 1.027 426 S CA 0.946 59.059 58.200 -0.146 0.000 0.991 426 S CB -0.408 62.748 63.200 -0.074 0.000 0.823 426 S HN 0.570 nan 8.310 nan 0.000 0.469 427 Q N 1.252 120.848 119.800 -0.339 0.000 2.466 427 Q HA 0.230 4.570 4.340 0.000 0.000 0.210 427 Q C 1.173 177.051 176.000 -0.203 0.000 0.961 427 Q CA 0.595 56.222 55.803 -0.294 0.000 0.953 427 Q CB -0.671 27.815 28.738 -0.420 0.000 1.011 427 Q HN 0.841 nan 8.270 nan 0.000 0.516 428 G N 1.448 110.124 108.800 -0.206 0.000 2.298 428 G HA2 -0.322 3.638 3.960 0.000 0.000 0.287 428 G HA3 -0.322 3.638 3.960 0.000 0.000 0.287 428 G C 0.793 175.605 174.900 -0.148 0.000 1.075 428 G CA 0.369 45.357 45.100 -0.188 0.000 0.960 428 G HN 0.572 nan 8.290 nan 0.000 0.502 429 C N -1.874 117.340 119.300 -0.143 0.000 2.563 429 C HA 0.490 4.950 4.460 0.000 0.000 0.268 429 C C 2.491 177.434 174.990 -0.079 0.000 1.365 429 C CA 0.617 59.575 59.018 -0.100 0.000 1.754 429 C CB -0.819 26.866 27.740 -0.092 0.000 1.932 429 C HN 0.554 nan 8.230 nan 0.000 0.536 430 I N 1.851 122.367 120.570 -0.091 0.000 2.142 430 I HA -0.164 4.006 4.170 0.000 0.000 0.240 430 I C 2.845 178.935 176.117 -0.045 0.000 1.078 430 I CA 1.931 63.199 61.300 -0.054 0.000 1.343 430 I CB -0.512 37.464 38.000 -0.039 0.000 1.046 430 I HN 0.248 nan 8.210 nan 0.000 0.405 431 K N 1.628 121.989 120.400 -0.064 0.000 2.020 431 K HA -0.166 4.154 4.320 0.000 0.000 0.212 431 K C -0.663 175.917 176.600 -0.033 0.000 1.050 431 K CA 2.031 58.291 56.287 -0.045 0.000 0.929 431 K CB -1.521 30.945 32.500 -0.057 0.000 0.714 431 K HN 0.107 nan 8.250 nan 0.000 0.443 432 P HA -0.141 nan 4.420 nan 0.000 0.216 432 P C 1.116 178.405 177.300 -0.019 0.000 1.150 432 P CA 0.925 64.010 63.100 -0.024 0.000 0.837 432 P CB 0.053 31.735 31.700 -0.030 0.000 0.786 433 L N -1.004 120.203 121.223 -0.027 0.000 2.027 433 L HA -0.163 4.177 4.340 0.000 0.000 0.206 433 L C 2.473 179.330 176.870 -0.022 0.000 1.074 433 L CA 1.743 56.567 54.840 -0.028 0.000 0.745 433 L CB -1.525 40.513 42.059 -0.034 0.000 0.898 433 L HN 0.048 nan 8.230 nan 0.000 0.433 434 C N -0.504 118.785 119.300 -0.019 0.000 2.432 434 C HA -0.154 4.306 4.460 0.000 0.000 0.277 434 C C 2.394 177.375 174.990 -0.015 0.000 1.249 434 C CA 0.560 59.567 59.018 -0.018 0.000 1.725 434 C CB -0.907 26.824 27.740 -0.014 0.000 2.028 434 C HN 0.538 nan 8.230 nan 0.000 0.477 435 D N 0.744 121.138 120.400 -0.010 0.000 2.149 435 D HA -0.121 4.519 4.640 0.000 0.000 0.198 435 D C 1.877 178.181 176.300 0.006 0.000 0.990 435 D CA 0.831 54.828 54.000 -0.004 0.000 0.839 435 D CB -0.660 40.140 40.800 -0.001 0.000 0.948 435 D HN 0.310 nan 8.370 nan 0.000 0.460 436 L N 0.845 122.076 121.223 0.014 0.000 2.081 436 L HA -0.159 4.181 4.340 0.000 0.000 0.212 436 L C 2.125 179.013 176.870 0.030 0.000 1.080 436 L CA 1.285 56.149 54.840 0.041 0.000 0.754 436 L CB -0.554 41.528 42.059 0.037 0.000 0.893 436 L HN 0.051 nan 8.230 nan 0.000 0.433 437 L N -0.635 120.590 121.223 0.002 0.000 2.081 437 L HA -0.279 4.061 4.340 0.000 0.000 0.212 437 L C 2.530 179.391 176.870 -0.016 0.000 1.080 437 L CA 1.867 56.700 54.840 -0.011 0.000 0.754 437 L CB -0.662 41.382 42.059 -0.025 0.000 0.893 437 L HN 0.469 nan 8.230 nan 0.000 0.433 438 E N 0.804 120.995 120.200 -0.015 0.000 2.268 438 E HA -0.191 4.159 4.350 0.000 0.000 0.195 438 E C 1.920 178.495 176.600 -0.040 0.000 0.995 438 E CA 1.142 57.527 56.400 -0.024 0.000 0.836 438 E CB 0.150 29.839 29.700 -0.018 0.000 0.763 438 E HN 0.747 nan 8.360 nan 0.000 0.491 439 I N -3.560 116.984 120.570 -0.043 0.000 4.288 439 I HA 0.420 4.590 4.170 0.000 0.000 0.331 439 I C 0.830 176.822 176.117 -0.208 0.000 1.322 439 I CA -0.492 60.740 61.300 -0.112 0.000 1.149 439 I CB 0.384 38.322 38.000 -0.104 0.000 1.112 439 I HN -0.098 nan 8.210 nan 0.000 0.403 440 A N 2.530 125.312 122.820 -0.063 0.000 2.366 440 A HA 0.331 4.651 4.320 0.000 0.000 0.249 440 A C -0.316 177.255 177.584 -0.021 0.000 1.084 440 A CA -0.014 52.035 52.037 0.021 0.000 0.794 440 A CB -0.075 19.036 19.000 0.186 0.000 1.034 440 A HN 0.600 nan 8.150 nan 0.000 0.491 441 D N 0.167 120.613 120.400 0.077 0.000 2.383 441 D HA 0.141 4.781 4.640 0.000 0.000 0.248 441 D C 0.647 176.982 176.300 0.057 0.000 1.170 441 D CA -0.559 53.474 54.000 0.055 0.000 0.977 441 D CB 0.371 41.243 40.800 0.119 0.000 1.120 441 D HN 0.336 nan 8.370 nan 0.000 0.481 442 N N -0.166 118.557 118.700 0.039 0.000 2.104 442 N HA -0.185 4.555 4.740 0.000 0.000 0.190 442 N C 1.596 177.123 175.510 0.028 0.000 1.024 442 N CA 0.892 53.958 53.050 0.026 0.000 0.853 442 N CB -0.381 38.120 38.487 0.023 0.000 1.008 442 N HN 0.387 nan 8.380 nan 0.000 0.424 443 R N 1.164 121.700 120.500 0.059 0.000 2.096 443 R HA 0.062 4.402 4.340 0.000 0.000 0.235 443 R C 1.746 178.048 176.300 0.003 0.000 1.127 443 R CA 0.864 57.005 56.100 0.068 0.000 0.968 443 R CB -0.483 29.905 30.300 0.147 0.000 0.861 443 R HN 0.152 nan 8.270 nan 0.000 0.440 444 I N 0.232 120.815 120.570 0.022 0.000 2.617 444 I HA -0.124 4.047 4.170 0.000 0.000 0.256 444 I C 2.078 178.143 176.117 -0.087 0.000 1.167 444 I CA 0.826 62.089 61.300 -0.062 0.000 1.469 444 I CB -0.687 37.353 38.000 0.067 0.000 1.098 444 I HN 0.171 nan 8.210 nan 0.000 0.436 445 I N 0.825 121.374 120.570 -0.035 0.000 2.252 445 I HA -0.265 3.905 4.170 0.000 0.000 0.245 445 I C 2.408 178.477 176.117 -0.080 0.000 1.102 445 I CA 1.218 62.490 61.300 -0.046 0.000 1.385 445 I CB -0.256 37.728 38.000 -0.027 0.000 1.064 445 I HN 0.242 nan 8.210 nan 0.000 0.414 446 E N 0.428 120.579 120.200 -0.082 0.000 2.058 446 E HA -0.204 4.146 4.350 0.000 0.000 0.194 446 E C 2.319 178.824 176.600 -0.157 0.000 0.997 446 E CA 1.547 57.891 56.400 -0.094 0.000 0.801 446 E CB -0.174 29.486 29.700 -0.067 0.000 0.746 446 E HN 0.280 nan 8.360 nan 0.000 0.450 447 V N 1.234 120.983 119.914 -0.275 0.000 2.332 447 V HA -0.264 3.856 4.120 0.000 0.000 0.248 447 V C 2.329 178.247 176.094 -0.293 0.000 1.055 447 V CA 2.219 64.252 62.300 -0.445 0.000 1.038 447 V CB -0.747 30.528 31.823 -0.913 0.000 0.651 447 V HN 0.347 nan 8.190 nan 0.000 0.450 448 T N 0.240 114.663 114.554 -0.219 0.000 2.821 448 T HA -0.081 4.269 4.350 0.000 0.000 0.267 448 T C 1.857 176.499 174.700 -0.096 0.000 1.046 448 T CA 1.308 63.325 62.100 -0.139 0.000 1.139 448 T CB -0.255 68.556 68.868 -0.095 0.000 0.871 448 T HN 0.299 nan 8.240 nan 0.000 0.454 449 L N 0.773 121.944 121.223 -0.086 0.000 2.201 449 L HA -0.074 4.266 4.340 0.000 0.000 0.212 449 L C 2.372 179.213 176.870 -0.047 0.000 1.105 449 L CA 0.906 55.714 54.840 -0.053 0.000 0.775 449 L CB -0.456 41.578 42.059 -0.043 0.000 0.913 449 L HN 0.172 nan 8.230 nan 0.000 0.440 450 D N 0.279 120.637 120.400 -0.071 0.000 2.117 450 D HA -0.125 4.515 4.640 0.000 0.000 0.198 450 D C 2.236 178.508 176.300 -0.047 0.000 0.982 450 D CA 1.464 55.431 54.000 -0.054 0.000 0.828 450 D CB 0.107 40.863 40.800 -0.073 0.000 0.967 450 D HN 0.285 nan 8.370 nan 0.000 0.464 451 A N 0.866 123.646 122.820 -0.067 0.000 1.902 451 A HA -0.110 4.210 4.320 0.000 0.000 0.217 451 A C 2.422 179.982 177.584 -0.039 0.000 1.181 451 A CA 0.864 52.870 52.037 -0.050 0.000 0.623 451 A CB -0.781 18.181 19.000 -0.063 0.000 0.818 451 A HN 0.187 nan 8.150 nan 0.000 0.443 452 L N -0.871 120.328 121.223 -0.040 0.000 2.083 452 L HA -0.196 4.144 4.340 0.000 0.000 0.209 452 L C 2.667 179.504 176.870 -0.054 0.000 1.083 452 L CA 1.825 56.646 54.840 -0.032 0.000 0.752 452 L CB -0.449 41.599 42.059 -0.019 0.000 0.899 452 L HN 0.628 nan 8.230 nan 0.000 0.433 453 E N 0.265 120.440 120.200 -0.042 0.000 2.072 453 E HA -0.205 4.145 4.350 0.000 0.000 0.191 453 E C 1.904 178.467 176.600 -0.063 0.000 0.985 453 E CA 1.027 57.396 56.400 -0.051 0.000 0.801 453 E CB 0.151 29.863 29.700 0.021 0.000 0.750 453 E HN 0.434 nan 8.360 nan 0.000 0.452 454 N N 0.726 119.407 118.700 -0.031 0.000 2.166 454 N HA -0.142 4.598 4.740 0.000 0.000 0.186 454 N C 1.967 177.457 175.510 -0.033 0.000 1.019 454 N CA 1.071 54.111 53.050 -0.016 0.000 0.856 454 N CB -0.189 38.297 38.487 -0.003 0.000 0.993 454 N HN 0.309 nan 8.380 nan 0.000 0.426 455 I N 0.882 121.424 120.570 -0.046 0.000 2.286 455 I HA -0.206 3.964 4.170 0.000 0.000 0.248 455 I C 2.018 178.079 176.117 -0.094 0.000 1.115 455 I CA 0.780 62.056 61.300 -0.040 0.000 1.392 455 I CB -0.124 37.864 38.000 -0.020 0.000 1.065 455 I HN 0.054 nan 8.210 nan 0.000 0.418 456 L N 0.258 121.356 121.223 -0.208 0.000 2.109 456 L HA -0.159 4.181 4.340 0.000 0.000 0.207 456 L C 2.503 179.183 176.870 -0.316 0.000 1.086 456 L CA 1.234 55.802 54.840 -0.454 0.000 0.760 456 L CB -0.477 40.951 42.059 -1.051 0.000 0.910 456 L HN 0.151 nan 8.230 nan 0.000 0.437 457 K N -0.429 119.888 120.400 -0.138 0.000 2.057 457 K HA -0.225 4.095 4.320 0.000 0.000 0.207 457 K C 2.071 178.688 176.600 0.029 0.000 1.049 457 K CA 1.599 57.911 56.287 0.041 0.000 0.931 457 K CB -0.178 32.359 32.500 0.062 0.000 0.714 457 K HN 0.117 nan 8.250 nan 0.000 0.440 458 M N 0.672 120.270 119.600 -0.003 0.000 2.067 458 M HA -0.047 4.433 4.480 0.000 0.000 0.260 458 M C 1.982 178.283 176.300 0.002 0.000 1.069 458 M CA 2.020 57.325 55.300 0.008 0.000 1.117 458 M CB -0.793 31.813 32.600 0.010 0.000 1.334 458 M HN 0.120 nan 8.290 nan 0.000 0.407 459 G N -1.119 107.668 108.800 -0.021 0.000 2.448 459 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 459 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 459 G C 1.436 176.325 174.900 -0.018 0.000 1.127 459 G CA 1.235 46.314 45.100 -0.034 0.000 0.766 459 G HN 0.549 nan 8.290 nan 0.000 0.552 460 E N 0.719 120.932 120.200 0.021 0.000 2.076 460 E HA 0.194 4.544 4.350 0.000 0.000 0.190 460 E C 2.723 179.349 176.600 0.043 0.000 0.979 460 E CA 1.119 57.563 56.400 0.073 0.000 0.807 460 E CB -0.486 29.341 29.700 0.213 0.000 0.761 460 E HN 0.215 nan 8.360 nan 0.000 0.454 461 A N 1.426 124.270 122.820 0.041 0.000 1.883 461 A HA -0.202 4.118 4.320 0.000 0.000 0.217 461 A C 1.741 179.334 177.584 0.015 0.000 1.186 461 A CA 2.139 54.193 52.037 0.028 0.000 0.624 461 A CB -0.833 18.184 19.000 0.029 0.000 0.822 461 A HN 0.479 nan 8.150 nan 0.000 0.444 462 D N -0.865 119.541 120.400 0.009 0.000 2.328 462 D HA -0.039 4.601 4.640 0.000 0.000 0.221 462 D C 1.356 177.653 176.300 -0.006 0.000 1.072 462 D CA 0.710 54.712 54.000 0.004 0.000 0.850 462 D CB -0.146 40.657 40.800 0.006 0.000 0.922 462 D HN 0.601 nan 8.370 nan 0.000 0.516 463 K N 1.175 121.570 120.400 -0.008 0.000 2.137 463 K HA -0.083 4.237 4.320 0.000 0.000 0.202 463 K C 1.402 177.995 176.600 -0.012 0.000 1.052 463 K CA 0.720 56.996 56.287 -0.018 0.000 0.961 463 K CB 0.105 32.593 32.500 -0.020 0.000 0.741 463 K HN 0.067 nan 8.250 nan 0.000 0.452 464 E N 0.456 120.653 120.200 -0.005 0.000 2.112 464 E HA -0.054 4.296 4.350 0.000 0.000 0.190 464 E C 1.944 178.543 176.600 -0.003 0.000 0.979 464 E CA 0.716 57.113 56.400 -0.004 0.000 0.814 464 E CB -0.031 29.670 29.700 0.000 0.000 0.762 464 E HN 0.414 nan 8.360 nan 0.000 0.460 465 A N 1.488 124.308 122.820 -0.000 0.000 2.076 465 A HA -0.125 4.195 4.320 0.000 0.000 0.220 465 A C 1.251 178.834 177.584 -0.002 0.000 1.160 465 A CA 0.981 53.019 52.037 0.001 0.000 0.653 465 A CB -0.120 18.882 19.000 0.003 0.000 0.801 465 A HN 0.034 nan 8.150 nan 0.000 0.455 466 R N -3.267 117.229 120.500 -0.005 0.000 2.960 466 R HA 0.480 4.820 4.340 0.000 0.000 0.249 466 R C 0.916 177.210 176.300 -0.010 0.000 1.192 466 R CA -0.120 55.975 56.100 -0.007 0.000 1.035 466 R CB 0.816 31.110 30.300 -0.010 0.000 1.234 466 R HN 0.097 nan 8.270 nan 0.000 0.493 467 G N 0.769 109.563 108.800 -0.011 0.000 3.233 467 G HA2 0.158 4.118 3.960 0.000 0.000 0.227 467 G HA3 0.158 4.118 3.960 0.000 0.000 0.227 467 G C 0.422 175.312 174.900 -0.016 0.000 1.175 467 G CA -0.233 44.859 45.100 -0.012 0.000 0.781 467 G HN 0.178 nan 8.290 nan 0.000 0.542 468 L N 0.254 121.465 121.223 -0.020 0.000 2.483 468 L HA 0.131 4.471 4.340 0.000 0.000 0.276 468 L C 0.581 177.433 176.870 -0.030 0.000 1.213 468 L CA -0.284 54.539 54.840 -0.027 0.000 0.843 468 L CB 0.391 42.430 42.059 -0.035 0.000 1.107 468 L HN -0.024 nan 8.230 nan 0.000 0.487 469 N N 2.710 121.390 118.700 -0.033 0.000 2.328 469 N HA 0.400 5.140 4.740 0.000 0.000 0.247 469 N C -0.655 174.827 175.510 -0.045 0.000 1.165 469 N CA 0.129 53.158 53.050 -0.034 0.000 0.873 469 N CB 0.888 39.357 38.487 -0.029 0.000 1.125 469 N HN 0.487 nan 8.380 nan 0.000 0.513 470 I N -0.578 119.958 120.570 -0.056 0.000 2.841 470 I HA 0.278 4.448 4.170 0.000 0.000 0.298 470 I C -1.429 174.633 176.117 -0.092 0.000 1.304 470 I CA -0.752 60.502 61.300 -0.077 0.000 1.019 470 I CB 2.340 40.288 38.000 -0.087 0.000 1.282 470 I HN -0.195 nan 8.210 nan 0.000 0.432 471 N N 5.614 124.249 118.700 -0.108 0.000 2.500 471 N HA 0.179 4.919 4.740 0.000 0.000 0.236 471 N C 0.543 175.939 175.510 -0.190 0.000 1.022 471 N CA -0.000 52.981 53.050 -0.115 0.000 0.935 471 N CB 1.012 39.449 38.487 -0.083 0.000 1.147 471 N HN 0.665 nan 8.380 nan 0.000 0.512 472 E N 2.171 122.223 120.200 -0.247 0.000 2.086 472 E HA -0.243 4.107 4.350 0.000 0.000 0.200 472 E C 0.847 177.073 176.600 -0.623 0.000 1.012 472 E CA 1.338 57.448 56.400 -0.484 0.000 0.812 472 E CB 0.144 29.544 29.700 -0.500 0.000 0.743 472 E HN 0.590 nan 8.360 nan 0.000 0.453 473 N N 0.553 119.075 118.700 -0.296 0.000 2.166 473 N HA -0.131 4.609 4.740 0.000 0.000 0.186 473 N C 1.717 177.238 175.510 0.017 0.000 1.019 473 N CA 1.249 54.281 53.050 -0.031 0.000 0.856 473 N CB -0.323 38.181 38.487 0.027 0.000 0.993 473 N HN 0.155 nan 8.380 nan 0.000 0.426 474 A N 1.019 123.784 122.820 -0.091 0.000 1.898 474 A HA -0.161 4.159 4.320 0.000 0.000 0.216 474 A C 2.046 179.675 177.584 0.074 0.000 1.181 474 A CA 1.511 53.501 52.037 -0.078 0.000 0.620 474 A CB -0.509 18.258 19.000 -0.388 0.000 0.819 474 A HN 0.202 nan 8.150 nan 0.000 0.442 475 D N -1.123 119.250 120.400 -0.045 0.000 2.117 475 D HA -0.136 4.504 4.640 0.000 0.000 0.198 475 D C 1.662 178.048 176.300 0.143 0.000 0.982 475 D CA 1.061 55.065 54.000 0.007 0.000 0.828 475 D CB -0.177 40.548 40.800 -0.124 0.000 0.967 475 D HN 0.295 nan 8.370 nan 0.000 0.464 476 F N 1.435 121.414 119.950 0.048 0.000 2.095 476 F HA -0.135 4.392 4.527 0.000 0.000 0.298 476 F C 2.581 178.415 175.800 0.056 0.000 1.104 476 F CA 0.518 58.540 58.000 0.037 0.000 1.232 476 F CB -0.974 38.034 39.000 0.014 0.000 0.987 476 F HN 0.016 nan 8.300 nan 0.000 0.475 477 I N -0.406 120.346 120.570 0.303 0.000 2.226 477 I HA -0.291 3.879 4.170 0.000 0.000 0.245 477 I C 2.446 178.664 176.117 0.168 0.000 1.100 477 I CA 1.591 63.017 61.300 0.210 0.000 1.374 477 I CB -0.521 37.632 38.000 0.255 0.000 1.057 477 I HN 0.173 nan 8.210 nan 0.000 0.413 478 E N 1.249 121.598 120.200 0.248 0.000 2.058 478 E HA -0.241 4.109 4.350 0.000 0.000 0.194 478 E C 2.155 178.820 176.600 0.107 0.000 0.997 478 E CA 1.240 57.747 56.400 0.178 0.000 0.801 478 E CB 0.204 30.056 29.700 0.253 0.000 0.746 478 E HN 0.234 nan 8.360 nan 0.000 0.450 479 K N 0.151 120.628 120.400 0.128 0.000 2.057 479 K HA -0.094 4.226 4.320 0.000 0.000 0.207 479 K C 1.950 178.587 176.600 0.062 0.000 1.049 479 K CA 1.176 57.520 56.287 0.095 0.000 0.931 479 K CB -0.506 32.071 32.500 0.128 0.000 0.714 479 K HN 0.185 nan 8.250 nan 0.000 0.440 480 A N 0.414 123.273 122.820 0.064 0.000 2.239 480 A HA 0.164 4.484 4.320 0.000 0.000 0.209 480 A C 1.392 178.984 177.584 0.013 0.000 1.171 480 A CA 1.187 53.240 52.037 0.027 0.000 0.768 480 A CB -0.658 18.353 19.000 0.018 0.000 0.790 480 A HN 0.439 nan 8.150 nan 0.000 0.478 481 G N -2.304 106.505 108.800 0.016 0.000 2.148 481 G HA2 -0.211 3.749 3.960 0.000 0.000 0.254 481 G HA3 -0.211 3.749 3.960 0.000 0.000 0.254 481 G C 1.197 176.081 174.900 -0.026 0.000 0.981 481 G CA 0.673 45.769 45.100 -0.006 0.000 0.670 481 G HN 1.268 nan 8.290 nan 0.000 0.528 482 G N -0.059 108.726 108.800 -0.026 0.000 2.422 482 G HA2 0.014 3.974 3.960 0.000 0.000 0.218 482 G HA3 0.014 3.974 3.960 0.000 0.000 0.218 482 G C 1.629 176.446 174.900 -0.138 0.000 1.140 482 G CA 1.624 46.690 45.100 -0.055 0.000 0.775 482 G HN 0.654 nan 8.290 nan 0.000 0.545 483 M N 0.358 119.825 119.600 -0.222 0.000 2.080 483 M HA -0.102 4.378 4.480 0.000 0.000 0.260 483 M C 2.431 178.610 176.300 -0.201 0.000 1.068 483 M CA 2.268 57.313 55.300 -0.426 0.000 1.109 483 M CB -0.246 32.089 32.600 -0.443 0.000 1.342 483 M HN 0.389 nan 8.290 nan 0.000 0.405 484 E N 0.163 120.299 120.200 -0.107 0.000 2.110 484 E HA -0.232 4.118 4.350 0.000 0.000 0.193 484 E C 1.801 178.418 176.600 0.028 0.000 0.988 484 E CA 1.464 57.849 56.400 -0.025 0.000 0.804 484 E CB 0.041 29.721 29.700 -0.032 0.000 0.745 484 E HN 0.566 nan 8.360 nan 0.000 0.458 485 K N 0.035 120.423 120.400 -0.020 0.000 2.155 485 K HA -0.052 4.268 4.320 0.000 0.000 0.203 485 K C 2.142 178.722 176.600 -0.034 0.000 1.052 485 K CA 0.996 57.271 56.287 -0.020 0.000 0.948 485 K CB 0.025 32.507 32.500 -0.030 0.000 0.728 485 K HN 0.250 nan 8.250 nan 0.000 0.448 486 I N 0.157 120.692 120.570 -0.059 0.000 2.353 486 I HA -0.218 3.952 4.170 0.000 0.000 0.248 486 I C 2.129 178.209 176.117 -0.062 0.000 1.119 486 I CA 0.814 62.069 61.300 -0.075 0.000 1.417 486 I CB -0.154 37.776 38.000 -0.117 0.000 1.078 486 I HN 0.043 nan 8.210 nan 0.000 0.421 487 F N 2.516 122.371 119.950 -0.159 0.000 2.134 487 F HA -0.223 4.304 4.527 0.000 0.000 0.299 487 F C 2.261 177.978 175.800 -0.139 0.000 1.097 487 F CA 1.657 59.571 58.000 -0.143 0.000 1.264 487 F CB -0.407 38.527 39.000 -0.111 0.000 1.001 487 F HN 0.070 nan 8.300 nan 0.000 0.479 488 N N -0.108 118.567 118.700 -0.042 0.000 2.205 488 N HA -0.197 4.543 4.740 0.000 0.000 0.186 488 N C 1.884 177.280 175.510 -0.190 0.000 1.015 488 N CA 1.577 54.561 53.050 -0.109 0.000 0.862 488 N CB -1.131 37.345 38.487 -0.018 0.000 0.986 488 N HN 0.330 nan 8.380 nan 0.000 0.429 489 C N 1.079 120.274 119.300 -0.175 0.000 2.449 489 C HA -0.021 4.439 4.460 0.000 0.000 0.283 489 C C 2.290 177.144 174.990 -0.227 0.000 1.453 489 C CA 0.076 59.002 59.018 -0.154 0.000 1.779 489 C CB -1.117 26.556 27.740 -0.110 0.000 1.779 489 C HN 0.501 nan 8.230 nan 0.000 0.546 490 Q N 0.157 119.693 119.800 -0.440 0.000 2.291 490 Q HA -0.164 4.176 4.340 0.000 0.000 0.206 490 Q C 1.609 177.363 176.000 -0.410 0.000 0.976 490 Q CA 1.007 56.401 55.803 -0.682 0.000 0.875 490 Q CB -0.145 27.867 28.738 -1.210 0.000 0.927 490 Q HN 0.764 nan 8.270 nan 0.000 0.450 491 Q N 0.326 119.955 119.800 -0.286 0.000 2.246 491 Q HA 0.101 4.441 4.340 0.000 0.000 0.202 491 Q C -0.023 175.920 176.000 -0.095 0.000 0.883 491 Q CA -0.345 55.347 55.803 -0.184 0.000 0.952 491 Q CB 0.255 28.901 28.738 -0.154 0.000 1.078 491 Q HN 0.208 nan 8.270 nan 0.000 0.493 492 N N 2.157 120.833 118.700 -0.039 0.000 2.508 492 N HA -0.065 4.675 4.740 0.000 0.000 0.264 492 N C 1.067 176.645 175.510 0.113 0.000 1.216 492 N CA 0.295 53.362 53.050 0.028 0.000 0.943 492 N CB 1.096 39.603 38.487 0.034 0.000 1.113 492 N HN 0.185 nan 8.380 nan 0.000 0.447 493 E N 1.978 122.228 120.200 0.084 0.000 2.204 493 E HA -0.187 4.163 4.350 0.000 0.000 0.194 493 E C -0.042 176.675 176.600 0.195 0.000 0.989 493 E CA 0.624 57.092 56.400 0.113 0.000 0.824 493 E CB -0.409 29.326 29.700 0.058 0.000 0.756 493 E HN 0.439 nan 8.360 nan 0.000 0.477 494 N N 2.213 121.001 118.700 0.146 0.000 2.442 494 N HA -0.033 4.707 4.740 0.000 0.000 0.265 494 N C 0.165 175.655 175.510 -0.033 0.000 1.138 494 N CA -0.050 53.042 53.050 0.070 0.000 0.956 494 N CB 0.959 39.458 38.487 0.019 0.000 1.067 494 N HN -0.110 nan 8.380 nan 0.000 0.474 495 D N 3.692 123.989 120.400 -0.172 0.000 2.106 495 D HA -0.201 4.439 4.640 0.000 0.000 0.191 495 D C 1.240 177.159 176.300 -0.635 0.000 0.997 495 D CA 1.640 55.232 54.000 -0.680 0.000 0.834 495 D CB 0.174 40.794 40.800 -0.299 0.000 0.956 495 D HN 0.630 nan 8.370 nan 0.000 0.448 496 K N 0.258 120.488 120.400 -0.283 0.000 2.074 496 K HA -0.138 4.182 4.320 0.000 0.000 0.209 496 K C 2.385 178.879 176.600 -0.177 0.000 1.048 496 K CA 0.857 57.032 56.287 -0.186 0.000 0.926 496 K CB -0.146 32.299 32.500 -0.093 0.000 0.713 496 K HN 0.215 nan 8.250 nan 0.000 0.444 497 I N 0.518 120.997 120.570 -0.153 0.000 2.133 497 I HA -0.296 3.874 4.170 0.000 0.000 0.238 497 I C 2.609 178.685 176.117 -0.069 0.000 1.074 497 I CA 1.355 62.604 61.300 -0.086 0.000 1.342 497 I CB -0.559 37.419 38.000 -0.036 0.000 1.053 497 I HN 0.183 nan 8.210 nan 0.000 0.404 498 Y N 1.458 121.728 120.300 -0.051 0.000 2.207 498 Y HA -0.179 4.371 4.550 0.000 0.000 0.287 498 Y C 2.134 178.027 175.900 -0.012 0.000 1.156 498 Y CA 1.030 59.065 58.100 -0.107 0.000 1.182 498 Y CB -1.329 37.089 38.460 -0.070 0.000 0.979 498 Y HN 0.192 nan 8.280 nan 0.000 0.521 499 E N 0.386 120.526 120.200 -0.101 0.000 2.106 499 E HA -0.175 4.175 4.350 0.000 0.000 0.192 499 E C 1.983 178.639 176.600 0.093 0.000 0.984 499 E CA 1.223 57.675 56.400 0.087 0.000 0.806 499 E CB -0.120 29.499 29.700 -0.135 0.000 0.750 499 E HN 0.333 nan 8.360 nan 0.000 0.458 500 K N 1.206 121.609 120.400 0.005 0.000 2.097 500 K HA -0.082 4.238 4.320 0.000 0.000 0.205 500 K C 1.810 178.444 176.600 0.057 0.000 1.050 500 K CA 1.274 57.579 56.287 0.029 0.000 0.938 500 K CB -0.259 32.236 32.500 -0.008 0.000 0.718 500 K HN 0.099 nan 8.250 nan 0.000 0.442 501 A N -0.465 122.360 122.820 0.008 0.000 1.873 501 A HA -0.118 4.202 4.320 0.000 0.000 0.215 501 A C 2.021 179.605 177.584 0.000 0.000 1.186 501 A CA 1.417 53.424 52.037 -0.049 0.000 0.616 501 A CB -0.967 17.916 19.000 -0.195 0.000 0.823 501 A HN 0.369 nan 8.150 nan 0.000 0.442 502 Y N 0.242 120.588 120.300 0.078 0.000 2.128 502 Y HA -0.222 4.328 4.550 0.000 0.000 0.284 502 Y C 2.443 178.407 175.900 0.107 0.000 1.154 502 Y CA 1.872 60.024 58.100 0.087 0.000 1.149 502 Y CB -0.353 38.161 38.460 0.091 0.000 0.976 502 Y HN 0.366 nan 8.280 nan 0.000 0.505 503 K N 0.447 121.006 120.400 0.264 0.000 2.057 503 K HA -0.182 4.138 4.320 0.000 0.000 0.207 503 K C 1.943 178.672 176.600 0.215 0.000 1.049 503 K CA 1.735 58.134 56.287 0.188 0.000 0.931 503 K CB -0.417 32.171 32.500 0.145 0.000 0.714 503 K HN 0.293 nan 8.250 nan 0.000 0.440 504 I N 1.156 121.881 120.570 0.259 0.000 2.142 504 I HA -0.291 3.879 4.170 0.000 0.000 0.240 504 I C 2.271 178.694 176.117 0.510 0.000 1.078 504 I CA 0.811 62.354 61.300 0.405 0.000 1.343 504 I CB -0.276 37.901 38.000 0.294 0.000 1.046 504 I HN 0.201 nan 8.210 nan 0.000 0.405 505 I N 0.780 121.574 120.570 0.373 0.000 2.127 505 I HA -0.314 3.856 4.170 0.000 0.000 0.241 505 I C 2.558 178.902 176.117 0.379 0.000 1.075 505 I CA 1.723 63.273 61.300 0.416 0.000 1.334 505 I CB -1.282 36.901 38.000 0.305 0.000 1.040 505 I HN 0.392 nan 8.210 nan 0.000 0.405 506 E N 0.534 120.892 120.200 0.264 0.000 2.051 506 E HA -0.205 4.145 4.350 0.000 0.000 0.192 506 E C 2.062 178.694 176.600 0.052 0.000 0.991 506 E CA 2.110 58.605 56.400 0.158 0.000 0.799 506 E CB 0.125 29.905 29.700 0.132 0.000 0.748 506 E HN 0.416 nan 8.360 nan 0.000 0.449 507 T N -0.729 113.816 114.554 -0.016 0.000 2.812 507 T HA -0.113 4.237 4.350 0.000 0.000 0.264 507 T C 0.877 175.231 174.700 -0.576 0.000 1.042 507 T CA 1.393 63.283 62.100 -0.349 0.000 1.140 507 T CB -0.175 68.346 68.868 -0.577 0.000 0.870 507 T HN 0.319 nan 8.240 nan 0.000 0.445 508 Y N -1.421 118.880 120.300 0.001 0.000 2.430 508 Y HA 0.418 4.968 4.550 0.000 0.000 0.248 508 Y C 0.527 176.051 175.900 -0.626 0.000 1.108 508 Y CA -0.699 57.210 58.100 -0.319 0.000 1.264 508 Y CB 0.489 38.672 38.460 -0.462 0.000 1.172 508 Y HN 0.112 nan 8.280 nan 0.000 0.520 509 F N -0.132 119.906 119.950 0.146 0.000 2.841 509 F HA 0.527 5.054 4.527 0.000 0.000 0.358 509 F C 1.045 176.884 175.800 0.064 0.000 1.261 509 F CA -1.058 57.002 58.000 0.100 0.000 1.233 509 F CB 0.071 39.137 39.000 0.109 0.000 1.008 509 F HN -0.103 nan 8.300 nan 0.000 0.507 510 G N 0.000 108.877 108.800 0.128 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 45.154 45.100 0.090 0.000 0.502 510 G HN 0.000 nan 8.290 nan 0.000 0.925