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 2d4y_1_B DATA FIRST_RESID 70 DATA SEQUENCE ITNQLRGAQN QSSGLTTRYE QMSKIDNLLA DKSSSLSGSL QSFFTSLQTL DATA SEQUENCE VSNAEDPAAR QALIGKAEGL VNQFKTTDQY LRDQDKQVNI AIGSSVAQIN DATA SEQUENCE NYAKQIANLN DQISRMXXXX XXXXXNDLLD QRDQLVSELN KIVGVEVSVQ DATA SEQUENCE DGGTYNLTMA NGYTLVQGST ARQLAAVPSS ADPTRTTVAY VDEAAGNIEI DATA SEQUENCE PEKLLNTGSL GGLLTFRSQD LDQTRNTLGQ LALAFADAFN AQHTKGYDAD DATA SEQUENCE GNKGKDFFSI GSPVVYSNSN NADKTVSLTA KVVDSTKVQA TDYKIVFDGT DATA SEQUENCE DWQVTRTADN TTFTATKDAD GKLEIDGLKV TVGTGAQKND SFLLKPVSNA DATA SEQUENCE IVDMNVKVTN EAEIAMASES KLDPXXXXXX SDNRNGQALL DLQNSNVVGG DATA SEQUENCE NKTFNDAYAT LVSDVGNKTS TLKTSSTTQA NVVKQLYKQQ 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 70 I HA 0.000 nan 4.170 nan 0.000 0.288 70 I C 0.000 176.070 176.117 -0.079 0.000 1.063 70 I CA 0.000 61.242 61.300 -0.096 0.000 1.566 70 I CB 0.000 37.936 38.000 -0.106 0.000 1.214 71 T N 0.467 114.976 114.554 -0.076 0.000 2.849 71 T HA 0.291 4.641 4.350 0.000 0.000 0.284 71 T C 1.031 175.689 174.700 -0.071 0.000 1.004 71 T CA -0.378 61.684 62.100 -0.063 0.000 1.021 71 T CB 1.546 70.386 68.868 -0.047 0.000 1.013 71 T HN 0.428 nan 8.240 nan 0.000 0.527 72 N N 0.040 118.700 118.700 -0.066 0.000 2.443 72 N HA -0.103 4.637 4.740 0.000 0.000 0.184 72 N C 1.764 177.243 175.510 -0.051 0.000 1.037 72 N CA 0.763 53.775 53.050 -0.063 0.000 0.896 72 N CB -0.327 38.124 38.487 -0.060 0.000 0.959 72 N HN 0.825 nan 8.380 nan 0.000 0.442 73 Q N -0.019 119.753 119.800 -0.046 0.000 2.049 73 Q HA -0.080 4.260 4.340 0.000 0.000 0.198 73 Q C 1.976 177.950 176.000 -0.043 0.000 0.971 73 Q CA 0.873 56.654 55.803 -0.037 0.000 0.833 73 Q CB -0.058 28.663 28.738 -0.028 0.000 0.896 73 Q HN 0.228 nan 8.270 nan 0.000 0.434 74 L N 0.837 122.023 121.223 -0.061 0.000 2.056 74 L HA -0.092 4.248 4.340 0.000 0.000 0.207 74 L C 2.495 179.312 176.870 -0.087 0.000 1.078 74 L CA 1.720 56.509 54.840 -0.085 0.000 0.749 74 L CB -0.501 41.473 42.059 -0.142 0.000 0.901 74 L HN 0.143 nan 8.230 nan 0.000 0.433 75 R N -0.721 119.727 120.500 -0.087 0.000 2.083 75 R HA -0.152 4.188 4.340 0.000 0.000 0.237 75 R C 2.125 178.393 176.300 -0.053 0.000 1.137 75 R CA 1.551 57.605 56.100 -0.077 0.000 0.951 75 R CB -0.764 29.489 30.300 -0.078 0.000 0.851 75 R HN 0.575 nan 8.270 nan 0.000 0.434 76 G N -0.436 108.337 108.800 -0.044 0.000 2.394 76 G HA2 -0.215 3.745 3.960 0.000 0.000 0.215 76 G HA3 -0.215 3.745 3.960 0.000 0.000 0.215 76 G C 1.478 176.365 174.900 -0.021 0.000 1.165 76 G CA 0.631 45.714 45.100 -0.029 0.000 0.784 76 G HN 0.463 nan 8.290 nan 0.000 0.535 77 A N 0.461 123.267 122.820 -0.024 0.000 1.933 77 A HA -0.098 4.222 4.320 0.000 0.000 0.218 77 A C 2.322 179.899 177.584 -0.011 0.000 1.175 77 A CA 1.969 53.998 52.037 -0.015 0.000 0.628 77 A CB -0.404 18.588 19.000 -0.014 0.000 0.814 77 A HN 0.456 nan 8.150 nan 0.000 0.444 78 Q N -0.429 119.357 119.800 -0.023 0.000 2.079 78 Q HA -0.207 4.133 4.340 0.000 0.000 0.200 78 Q C 1.977 177.975 176.000 -0.004 0.000 0.974 78 Q CA 1.607 57.401 55.803 -0.016 0.000 0.840 78 Q CB -0.289 28.427 28.738 -0.036 0.000 0.898 78 Q HN 0.937 nan 8.270 nan 0.000 0.430 79 N N -0.032 118.664 118.700 -0.008 0.000 2.244 79 N HA -0.198 4.542 4.740 0.000 0.000 0.183 79 N C 1.538 177.055 175.510 0.012 0.000 1.016 79 N CA 1.297 54.350 53.050 0.004 0.000 0.866 79 N CB -0.104 38.385 38.487 0.003 0.000 0.980 79 N HN 0.218 nan 8.380 nan 0.000 0.430 80 Q N -0.142 119.662 119.800 0.008 0.000 2.049 80 Q HA -0.083 4.257 4.340 0.000 0.000 0.198 80 Q C 2.051 178.062 176.000 0.019 0.000 0.971 80 Q CA 1.482 57.293 55.803 0.013 0.000 0.833 80 Q CB -0.232 28.511 28.738 0.009 0.000 0.896 80 Q HN 0.497 nan 8.270 nan 0.000 0.434 81 S N 0.073 115.782 115.700 0.015 0.000 2.359 81 S HA -0.195 4.275 4.470 0.000 0.000 0.224 81 S C 2.094 176.710 174.600 0.028 0.000 1.035 81 S CA 1.671 59.883 58.200 0.019 0.000 1.018 81 S CB -0.240 62.970 63.200 0.017 0.000 0.876 81 S HN 0.281 nan 8.310 nan 0.000 0.448 82 S N 0.481 116.197 115.700 0.027 0.000 2.374 82 S HA -0.067 4.404 4.470 0.000 0.000 0.227 82 S C 1.962 176.584 174.600 0.037 0.000 1.037 82 S CA 1.324 59.544 58.200 0.032 0.000 1.024 82 S CB -1.115 62.103 63.200 0.030 0.000 0.861 82 S HN 0.755 nan 8.310 nan 0.000 0.456 83 G N 1.236 110.059 108.800 0.037 0.000 2.421 83 G HA2 -0.125 3.835 3.960 0.000 0.000 0.216 83 G HA3 -0.125 3.835 3.960 0.000 0.000 0.216 83 G C 1.349 176.282 174.900 0.055 0.000 1.171 83 G CA 0.595 45.721 45.100 0.044 0.000 0.775 83 G HN 0.442 nan 8.290 nan 0.000 0.543 84 L N 0.313 121.568 121.223 0.053 0.000 2.093 84 L HA -0.072 4.269 4.340 0.000 0.000 0.208 84 L C 3.182 180.110 176.870 0.097 0.000 1.085 84 L CA 1.465 56.345 54.840 0.067 0.000 0.755 84 L CB -0.613 41.473 42.059 0.045 0.000 0.904 84 L HN 0.182 nan 8.230 nan 0.000 0.435 85 T N -1.322 113.282 114.554 0.083 0.000 2.777 85 T HA -0.158 4.192 4.350 0.000 0.000 0.266 85 T C 1.906 176.674 174.700 0.114 0.000 1.040 85 T CA 1.819 63.989 62.100 0.116 0.000 1.141 85 T CB -0.169 68.745 68.868 0.076 0.000 0.868 85 T HN 0.322 nan 8.240 nan 0.000 0.444 86 T N 1.475 116.062 114.554 0.055 0.000 2.684 86 T HA -0.104 4.247 4.350 0.000 0.000 0.267 86 T C 2.061 176.733 174.700 -0.047 0.000 1.036 86 T CA 1.199 63.298 62.100 -0.001 0.000 1.148 86 T CB -0.161 68.712 68.868 0.007 0.000 0.863 86 T HN 0.287 nan 8.240 nan 0.000 0.436 87 R N -0.533 119.981 120.500 0.023 0.000 2.075 87 R HA -0.118 4.223 4.340 0.000 0.000 0.232 87 R C 2.378 178.679 176.300 0.002 0.000 1.126 87 R CA 1.333 57.456 56.100 0.038 0.000 0.963 87 R CB -0.434 29.946 30.300 0.133 0.000 0.858 87 R HN 0.508 nan 8.270 nan 0.000 0.435 88 Y N 1.632 121.920 120.300 -0.019 0.000 2.128 88 Y HA -0.196 4.355 4.550 0.001 0.000 0.284 88 Y C 1.703 177.566 175.900 -0.061 0.000 1.154 88 Y CA 2.015 60.105 58.100 -0.017 0.000 1.149 88 Y CB -0.248 38.209 38.460 -0.006 0.000 0.976 88 Y HN 0.148 nan 8.280 nan 0.000 0.505 89 E N -0.473 119.536 120.200 -0.318 0.000 2.110 89 E HA -0.232 4.118 4.350 0.000 0.000 0.193 89 E C 2.125 178.449 176.600 -0.459 0.000 0.988 89 E CA 1.250 57.396 56.400 -0.423 0.000 0.804 89 E CB -0.055 29.550 29.700 -0.158 0.000 0.745 89 E HN 0.563 nan 8.360 nan 0.000 0.458 90 Q N -0.230 119.244 119.800 -0.543 0.000 2.137 90 Q HA -0.063 4.277 4.340 0.000 0.000 0.198 90 Q C 2.049 177.624 176.000 -0.708 0.000 0.960 90 Q CA 0.780 56.045 55.803 -0.896 0.000 0.847 90 Q CB -0.174 27.460 28.738 -1.840 0.000 0.915 90 Q HN 0.237 nan 8.270 nan 0.000 0.448 91 M N 0.293 119.664 119.600 -0.381 0.000 2.229 91 M HA -0.051 4.429 4.480 0.000 0.000 0.264 91 M C 2.087 178.336 176.300 -0.085 0.000 1.063 91 M CA 1.087 56.409 55.300 0.036 0.000 1.114 91 M CB -0.363 32.304 32.600 0.111 0.000 1.387 91 M HN -0.017 nan 8.290 nan 0.000 0.420 92 S N -0.120 115.390 115.700 -0.317 0.000 2.382 92 S HA -0.137 4.334 4.470 0.000 0.000 0.228 92 S C 1.820 176.339 174.600 -0.134 0.000 1.027 92 S CA 1.256 59.271 58.200 -0.309 0.000 0.991 92 S CB -0.146 62.717 63.200 -0.563 0.000 0.823 92 S HN 0.531 nan 8.310 nan 0.000 0.469 93 K N 0.466 120.806 120.400 -0.101 0.000 2.147 93 K HA -0.002 4.318 4.320 0.000 0.000 0.205 93 K C 1.867 178.534 176.600 0.111 0.000 1.049 93 K CA 1.221 57.528 56.287 0.034 0.000 0.936 93 K CB -0.241 32.322 32.500 0.104 0.000 0.722 93 K HN 0.434 nan 8.250 nan 0.000 0.446 94 I N 0.819 121.467 120.570 0.129 0.000 2.406 94 I HA -0.204 3.966 4.170 0.000 0.000 0.249 94 I C 2.119 178.268 176.117 0.053 0.000 1.122 94 I CA 0.941 62.331 61.300 0.151 0.000 1.431 94 I CB -0.229 37.887 38.000 0.194 0.000 1.087 94 I HN 0.105 nan 8.210 nan 0.000 0.424 95 D N 1.377 121.791 120.400 0.025 0.000 2.097 95 D HA -0.182 4.458 4.640 0.000 0.000 0.195 95 D C 1.858 178.147 176.300 -0.019 0.000 0.989 95 D CA 1.660 55.660 54.000 0.001 0.000 0.827 95 D CB -0.194 40.608 40.800 0.003 0.000 0.966 95 D HN 0.290 nan 8.370 nan 0.000 0.456 96 N N -0.558 118.123 118.700 -0.032 0.000 2.069 96 N HA -0.180 4.560 4.740 0.000 0.000 0.191 96 N C 1.823 177.281 175.510 -0.087 0.000 1.031 96 N CA 0.926 53.945 53.050 -0.053 0.000 0.852 96 N CB -0.129 38.321 38.487 -0.061 0.000 1.018 96 N HN 0.142 nan 8.380 nan 0.000 0.423 97 L N 1.158 122.305 121.223 -0.127 0.000 2.042 97 L HA -0.086 4.254 4.340 0.000 0.000 0.210 97 L C 1.613 178.426 176.870 -0.095 0.000 1.076 97 L CA 1.534 56.251 54.840 -0.206 0.000 0.749 97 L CB -0.250 41.630 42.059 -0.298 0.000 0.893 97 L HN 0.190 nan 8.230 nan 0.000 0.432 98 L N -0.556 120.643 121.223 -0.041 0.000 2.554 98 L HA 0.080 4.420 4.340 0.000 0.000 0.226 98 L C 2.194 179.061 176.870 -0.005 0.000 1.137 98 L CA 0.523 55.359 54.840 -0.006 0.000 0.863 98 L CB -0.587 41.450 42.059 -0.037 0.000 0.985 98 L HN 0.391 nan 8.230 nan 0.000 0.451 99 A N -1.672 121.135 122.820 -0.023 0.000 2.252 99 A HA -0.003 4.318 4.320 0.000 0.000 0.213 99 A C 0.925 178.497 177.584 -0.021 0.000 1.188 99 A CA -0.188 51.839 52.037 -0.016 0.000 0.863 99 A CB -0.062 18.928 19.000 -0.017 0.000 0.893 99 A HN 0.266 nan 8.150 nan 0.000 0.495 100 D N 0.066 120.442 120.400 -0.040 0.000 2.362 100 D HA 0.019 4.659 4.640 0.000 0.000 0.238 100 D C 0.227 176.507 176.300 -0.033 0.000 1.212 100 D CA 0.228 54.199 54.000 -0.048 0.000 0.902 100 D CB 0.579 41.329 40.800 -0.082 0.000 1.180 100 D HN 0.159 nan 8.370 nan 0.000 0.445 101 K N 0.384 120.764 120.400 -0.033 0.000 2.410 101 K HA 0.099 4.419 4.320 0.000 0.000 0.200 101 K C 0.744 177.323 176.600 -0.035 0.000 1.023 101 K CA -0.065 56.206 56.287 -0.027 0.000 1.149 101 K CB 0.308 32.796 32.500 -0.021 0.000 0.859 101 K HN 0.090 nan 8.250 nan 0.000 0.514 102 S N -0.848 114.825 115.700 -0.045 0.000 2.604 102 S HA 0.110 4.580 4.470 0.000 0.000 0.235 102 S C 0.048 174.610 174.600 -0.062 0.000 1.043 102 S CA -0.276 57.893 58.200 -0.051 0.000 0.997 102 S CB 0.810 63.981 63.200 -0.049 0.000 0.956 102 S HN 0.042 nan 8.310 nan 0.000 0.535 103 S N 2.087 117.753 115.700 -0.058 0.000 3.700 103 S HA 0.288 4.758 4.470 0.000 0.000 0.192 103 S C -0.072 174.501 174.600 -0.044 0.000 1.430 103 S CA -0.140 58.028 58.200 -0.052 0.000 0.999 103 S CB 0.454 63.635 63.200 -0.032 0.000 1.411 103 S HN 0.168 nan 8.310 nan 0.000 0.491 104 S N 2.229 117.871 115.700 -0.096 0.000 2.457 104 S HA 0.303 4.773 4.470 0.000 0.000 0.216 104 S C 0.734 175.169 174.600 -0.275 0.000 1.392 104 S CA -0.614 57.512 58.200 -0.122 0.000 1.102 104 S CB -0.014 63.137 63.200 -0.082 0.000 1.114 104 S HN 0.571 nan 8.310 nan 0.000 0.484 105 L N 4.194 125.124 121.223 -0.489 0.000 2.217 105 L HA 0.143 4.483 4.340 0.000 0.000 0.211 105 L C 2.364 178.782 176.870 -0.754 0.000 1.107 105 L CA 1.619 55.985 54.840 -0.791 0.000 0.783 105 L CB -0.553 40.790 42.059 -1.194 0.000 0.919 105 L HN 0.639 nan 8.230 nan 0.000 0.442 106 S N -0.738 114.562 115.700 -0.667 0.000 2.356 106 S HA -0.123 4.347 4.470 0.000 0.000 0.223 106 S C 2.004 176.506 174.600 -0.162 0.000 1.032 106 S CA 1.314 59.328 58.200 -0.309 0.000 1.005 106 S CB -0.670 62.519 63.200 -0.018 0.000 0.867 106 S HN 0.617 nan 8.310 nan 0.000 0.449 107 G N -0.241 108.475 108.800 -0.140 0.000 2.422 107 G HA2 -0.119 3.841 3.960 0.000 0.000 0.218 107 G HA3 -0.119 3.841 3.960 0.000 0.000 0.218 107 G C 1.672 176.511 174.900 -0.101 0.000 1.140 107 G CA 1.041 46.092 45.100 -0.082 0.000 0.775 107 G HN 0.560 nan 8.290 nan 0.000 0.545 108 S N -0.292 115.294 115.700 -0.190 0.000 2.383 108 S HA 0.074 4.544 4.470 0.000 0.000 0.227 108 S C 2.368 176.852 174.600 -0.194 0.000 1.026 108 S CA 0.565 58.641 58.200 -0.206 0.000 0.981 108 S CB -0.200 62.812 63.200 -0.314 0.000 0.818 108 S HN 0.338 nan 8.310 nan 0.000 0.472 109 L N 0.898 121.980 121.223 -0.235 0.000 2.056 109 L HA -0.105 4.236 4.340 0.000 0.000 0.207 109 L C 2.753 179.732 176.870 0.182 0.000 1.078 109 L CA 1.578 56.356 54.840 -0.102 0.000 0.749 109 L CB -0.420 41.584 42.059 -0.092 0.000 0.901 109 L HN 0.368 nan 8.230 nan 0.000 0.433 110 Q N -0.465 119.407 119.800 0.120 0.000 2.083 110 Q HA -0.139 4.202 4.340 0.000 0.000 0.198 110 Q C 2.226 178.318 176.000 0.153 0.000 0.969 110 Q CA 1.899 57.809 55.803 0.178 0.000 0.838 110 Q CB -0.048 28.748 28.738 0.097 0.000 0.900 110 Q HN 0.245 nan 8.270 nan 0.000 0.436 111 S N -0.087 115.661 115.700 0.080 0.000 2.383 111 S HA -0.131 4.339 4.470 0.000 0.000 0.229 111 S C 1.389 176.038 174.600 0.080 0.000 1.030 111 S CA 1.191 59.427 58.200 0.060 0.000 1.002 111 S CB -0.527 62.687 63.200 0.024 0.000 0.829 111 S HN 0.560 nan 8.310 nan 0.000 0.467 112 F N 1.176 121.072 119.950 -0.089 0.000 2.102 112 F HA -0.032 4.493 4.527 -0.003 0.000 0.298 112 F C 1.672 177.370 175.800 -0.171 0.000 1.105 112 F CA 1.283 59.171 58.000 -0.188 0.000 1.239 112 F CB -0.466 38.319 39.000 -0.359 0.000 0.991 112 F HN 0.177 nan 8.300 nan 0.000 0.474 113 F N -0.192 119.794 119.950 0.061 0.000 2.259 113 F HA -0.126 4.404 4.527 0.005 0.000 0.298 113 F C 2.476 178.246 175.800 -0.051 0.000 1.088 113 F CA 1.466 59.452 58.000 -0.024 0.000 1.358 113 F CB -0.843 38.248 39.000 0.151 0.000 1.040 113 F HN -0.142 nan 8.300 nan 0.000 0.505 114 T N -1.106 113.531 114.554 0.138 0.000 2.708 114 T HA -0.175 4.175 4.350 0.000 0.000 0.266 114 T C 2.219 176.926 174.700 0.011 0.000 1.037 114 T CA 1.782 63.926 62.100 0.074 0.000 1.146 114 T CB -0.324 68.580 68.868 0.061 0.000 0.865 114 T HN 0.133 nan 8.240 nan 0.000 0.435 115 S N 0.976 116.649 115.700 -0.045 0.000 2.402 115 S HA 0.007 4.477 4.470 0.000 0.000 0.229 115 S C 1.851 176.382 174.600 -0.115 0.000 1.021 115 S CA 0.396 58.551 58.200 -0.075 0.000 0.974 115 S CB -0.348 62.800 63.200 -0.086 0.000 0.800 115 S HN 0.235 nan 8.310 nan 0.000 0.484 116 L N 2.043 123.144 121.223 -0.204 0.000 2.046 116 L HA -0.066 4.274 4.340 0.000 0.000 0.208 116 L C 2.332 179.192 176.870 -0.017 0.000 1.077 116 L CA 1.874 56.616 54.840 -0.163 0.000 0.747 116 L CB -0.972 40.953 42.059 -0.222 0.000 0.896 116 L HN 0.215 nan 8.230 nan 0.000 0.432 117 Q N -1.147 118.670 119.800 0.029 0.000 2.135 117 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 117 Q C 2.013 178.027 176.000 0.024 0.000 0.981 117 Q CA 2.589 58.418 55.803 0.044 0.000 0.856 117 Q CB -0.380 28.393 28.738 0.058 0.000 0.902 117 Q HN 0.523 nan 8.270 nan 0.000 0.425 118 T N 0.563 115.124 114.554 0.011 0.000 2.746 118 T HA -0.127 4.223 4.350 0.000 0.000 0.267 118 T C 1.509 176.216 174.700 0.010 0.000 1.039 118 T CA 1.244 63.350 62.100 0.010 0.000 1.142 118 T CB -0.308 68.562 68.868 0.004 0.000 0.866 118 T HN 0.289 nan 8.240 nan 0.000 0.444 119 L N 1.110 122.336 121.223 0.005 0.000 2.109 119 L HA 0.075 4.415 4.340 0.000 0.000 0.207 119 L C 2.355 179.239 176.870 0.023 0.000 1.086 119 L CA 1.243 56.091 54.840 0.015 0.000 0.760 119 L CB -0.612 41.454 42.059 0.013 0.000 0.910 119 L HN 0.040 nan 8.230 nan 0.000 0.437 120 V N -0.722 119.207 119.914 0.024 0.000 2.407 120 V HA -0.269 3.851 4.120 0.000 0.000 0.248 120 V C 2.500 178.609 176.094 0.025 0.000 1.055 120 V CA 1.997 64.315 62.300 0.029 0.000 1.049 120 V CB -0.540 31.304 31.823 0.036 0.000 0.662 120 V HN 0.548 nan 8.190 nan 0.000 0.455 121 S N 0.228 115.941 115.700 0.022 0.000 2.436 121 S HA 0.005 4.475 4.470 0.000 0.000 0.228 121 S C 0.969 175.580 174.600 0.018 0.000 1.014 121 S CA 0.713 58.925 58.200 0.019 0.000 0.950 121 S CB -0.122 63.089 63.200 0.018 0.000 0.784 121 S HN 0.677 nan 8.310 nan 0.000 0.504 122 N N 0.854 119.565 118.700 0.019 0.000 2.696 122 N HA 0.383 5.123 4.740 0.000 0.000 0.308 122 N C 0.499 176.022 175.510 0.023 0.000 1.915 122 N CA 0.141 53.202 53.050 0.018 0.000 0.906 122 N CB 0.908 39.405 38.487 0.017 0.000 1.284 122 N HN 0.202 nan 8.380 nan 0.000 0.488 123 A N 1.278 124.113 122.820 0.025 0.000 2.042 123 A HA -0.249 4.071 4.320 0.000 0.000 0.222 123 A C 1.896 179.500 177.584 0.034 0.000 1.167 123 A CA 1.792 53.847 52.037 0.032 0.000 0.649 123 A CB -0.240 18.779 19.000 0.031 0.000 0.809 123 A HN 0.637 nan 8.150 nan 0.000 0.457 124 E N -0.744 119.473 120.200 0.028 0.000 2.476 124 E HA 0.101 4.451 4.350 0.000 0.000 0.199 124 E C -0.131 176.485 176.600 0.026 0.000 1.021 124 E CA -0.022 56.394 56.400 0.027 0.000 0.907 124 E CB -0.169 29.544 29.700 0.022 0.000 0.974 124 E HN 0.331 nan 8.360 nan 0.000 0.489 125 D N 2.278 122.692 120.400 0.024 0.000 2.401 125 D HA 0.038 4.678 4.640 0.000 0.000 0.254 125 D C -1.535 174.780 176.300 0.025 0.000 1.192 125 D CA -2.212 51.800 54.000 0.021 0.000 0.885 125 D CB 1.474 42.285 40.800 0.019 0.000 1.147 125 D HN -0.115 nan 8.370 nan 0.000 0.478 126 P HA -0.179 nan 4.420 nan 0.000 0.215 126 P C 0.930 178.244 177.300 0.023 0.000 1.157 126 P CA 1.754 64.868 63.100 0.023 0.000 0.874 126 P CB 0.098 31.809 31.700 0.017 0.000 0.790 127 A N 0.048 122.879 122.820 0.019 0.000 1.883 127 A HA -0.151 4.169 4.320 0.000 0.000 0.217 127 A C 2.368 179.965 177.584 0.021 0.000 1.186 127 A CA 2.337 54.385 52.037 0.018 0.000 0.624 127 A CB -1.670 17.339 19.000 0.015 0.000 0.822 127 A HN 0.198 nan 8.150 nan 0.000 0.444 128 A N -0.425 122.408 122.820 0.021 0.000 1.940 128 A HA -0.187 4.134 4.320 0.000 0.000 0.219 128 A C 2.258 179.860 177.584 0.029 0.000 1.176 128 A CA 1.685 53.734 52.037 0.021 0.000 0.631 128 A CB -0.440 18.572 19.000 0.020 0.000 0.814 128 A HN 0.573 nan 8.150 nan 0.000 0.446 129 R N -1.040 119.484 120.500 0.040 0.000 2.066 129 R HA -0.128 4.212 4.340 0.000 0.000 0.232 129 R C 2.593 178.930 176.300 0.062 0.000 1.131 129 R CA 1.420 57.556 56.100 0.061 0.000 0.955 129 R CB -0.374 29.964 30.300 0.063 0.000 0.851 129 R HN 0.771 nan 8.270 nan 0.000 0.432 130 Q N 0.593 120.419 119.800 0.043 0.000 2.096 130 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 130 Q C 1.943 177.969 176.000 0.043 0.000 0.982 130 Q CA 1.900 57.726 55.803 0.038 0.000 0.850 130 Q CB -0.082 28.671 28.738 0.025 0.000 0.901 130 Q HN 0.380 nan 8.270 nan 0.000 0.422 131 A N 0.746 123.588 122.820 0.036 0.000 1.930 131 A HA -0.157 4.164 4.320 0.000 0.000 0.217 131 A C 1.990 179.598 177.584 0.040 0.000 1.175 131 A CA 1.233 53.289 52.037 0.031 0.000 0.627 131 A CB -0.649 18.362 19.000 0.018 0.000 0.815 131 A HN 0.491 nan 8.150 nan 0.000 0.443 132 L N -0.100 121.146 121.223 0.038 0.000 2.046 132 L HA -0.110 4.231 4.340 0.000 0.000 0.208 132 L C 2.218 179.178 176.870 0.150 0.000 1.077 132 L CA 1.775 56.631 54.840 0.027 0.000 0.747 132 L CB -0.344 41.716 42.059 0.001 0.000 0.896 132 L HN 0.419 nan 8.230 nan 0.000 0.432 133 I N -0.393 120.282 120.570 0.174 0.000 2.179 133 I HA -0.238 3.932 4.170 0.000 0.000 0.242 133 I C 2.515 178.714 176.117 0.136 0.000 1.088 133 I CA 1.376 62.789 61.300 0.190 0.000 1.357 133 I CB -1.144 36.912 38.000 0.093 0.000 1.051 133 I HN 0.441 nan 8.210 nan 0.000 0.409 134 G N 0.896 109.750 108.800 0.091 0.000 2.476 134 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 134 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 134 G C 1.734 176.686 174.900 0.086 0.000 1.164 134 G CA 0.665 45.806 45.100 0.069 0.000 0.768 134 G HN 0.182 nan 8.290 nan 0.000 0.560 135 K N 0.820 121.289 120.400 0.115 0.000 2.148 135 K HA 0.111 4.431 4.320 0.000 0.000 0.204 135 K C 2.824 179.546 176.600 0.205 0.000 1.050 135 K CA 1.019 57.392 56.287 0.144 0.000 0.942 135 K CB -0.496 32.098 32.500 0.155 0.000 0.724 135 K HN 0.296 nan 8.250 nan 0.000 0.446 136 A N 1.506 124.498 122.820 0.287 0.000 1.898 136 A HA -0.154 4.166 4.320 0.000 0.000 0.216 136 A C 2.025 179.715 177.584 0.176 0.000 1.181 136 A CA 1.318 53.505 52.037 0.250 0.000 0.620 136 A CB -0.281 18.953 19.000 0.389 0.000 0.819 136 A HN 0.353 nan 8.150 nan 0.000 0.442 137 E N -0.544 119.737 120.200 0.136 0.000 2.072 137 E HA -0.087 4.264 4.350 0.000 0.000 0.191 137 E C 2.140 178.764 176.600 0.041 0.000 0.985 137 E CA 0.717 57.168 56.400 0.086 0.000 0.801 137 E CB -0.369 29.366 29.700 0.057 0.000 0.750 137 E HN 0.593 nan 8.360 nan 0.000 0.452 138 G N 1.625 110.439 108.800 0.023 0.000 2.440 138 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 138 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 138 G C 1.559 176.413 174.900 -0.077 0.000 1.154 138 G CA 0.639 45.727 45.100 -0.020 0.000 0.767 138 G HN 0.136 nan 8.290 nan 0.000 0.552 139 L N 0.865 122.021 121.223 -0.112 0.000 2.017 139 L HA 0.017 4.357 4.340 0.000 0.000 0.208 139 L C 2.929 179.713 176.870 -0.144 0.000 1.073 139 L CA 1.467 56.150 54.840 -0.261 0.000 0.745 139 L CB -0.764 41.019 42.059 -0.460 0.000 0.894 139 L HN 0.082 nan 8.230 nan 0.000 0.432 140 V N 0.717 120.625 119.914 -0.010 0.000 2.332 140 V HA -0.321 3.800 4.120 0.000 0.000 0.248 140 V C 2.460 178.594 176.094 0.067 0.000 1.055 140 V CA 1.986 64.338 62.300 0.087 0.000 1.038 140 V CB -0.968 30.924 31.823 0.114 0.000 0.651 140 V HN 0.542 nan 8.190 nan 0.000 0.450 141 N N 0.008 118.719 118.700 0.020 0.000 2.084 141 N HA -0.218 4.522 4.740 0.000 0.000 0.190 141 N C 1.896 177.397 175.510 -0.015 0.000 1.030 141 N CA 1.639 54.694 53.050 0.008 0.000 0.849 141 N CB -0.463 38.023 38.487 -0.001 0.000 1.012 141 N HN 0.520 nan 8.380 nan 0.000 0.423 142 Q N 0.384 120.135 119.800 -0.082 0.000 2.096 142 Q HA -0.006 4.334 4.340 0.000 0.000 0.204 142 Q C 1.854 177.766 176.000 -0.146 0.000 0.982 142 Q CA 1.390 57.102 55.803 -0.151 0.000 0.850 142 Q CB -0.528 28.050 28.738 -0.266 0.000 0.901 142 Q HN 0.372 nan 8.270 nan 0.000 0.422 143 F N 0.396 120.254 119.950 -0.154 0.000 2.091 143 F HA -0.242 4.283 4.527 -0.003 0.000 0.299 143 F C 2.196 177.961 175.800 -0.059 0.000 1.103 143 F CA 1.616 59.540 58.000 -0.126 0.000 1.228 143 F CB -0.092 38.809 39.000 -0.165 0.000 0.984 143 F HN 0.077 nan 8.300 nan 0.000 0.477 144 K N -0.576 119.913 120.400 0.148 0.000 2.057 144 K HA -0.135 4.185 4.320 0.000 0.000 0.207 144 K C 1.993 178.638 176.600 0.075 0.000 1.049 144 K CA 1.806 58.147 56.287 0.091 0.000 0.931 144 K CB -0.509 32.028 32.500 0.062 0.000 0.714 144 K HN 0.174 nan 8.250 nan 0.000 0.440 145 T N 0.632 115.216 114.554 0.051 0.000 2.684 145 T HA -0.137 4.214 4.350 0.000 0.000 0.267 145 T C 1.902 176.650 174.700 0.080 0.000 1.036 145 T CA 1.866 63.996 62.100 0.049 0.000 1.148 145 T CB -0.325 68.549 68.868 0.011 0.000 0.863 145 T HN 0.282 nan 8.240 nan 0.000 0.436 146 T N 1.294 115.888 114.554 0.067 0.000 2.708 146 T HA -0.129 4.221 4.350 0.000 0.000 0.266 146 T C 1.812 176.603 174.700 0.152 0.000 1.037 146 T CA 1.605 63.765 62.100 0.100 0.000 1.146 146 T CB -0.523 68.390 68.868 0.074 0.000 0.865 146 T HN 0.443 nan 8.240 nan 0.000 0.435 147 D N 0.436 120.918 120.400 0.136 0.000 2.117 147 D HA -0.130 4.510 4.640 0.000 0.000 0.197 147 D C 2.256 178.618 176.300 0.104 0.000 0.987 147 D CA 1.055 55.127 54.000 0.119 0.000 0.829 147 D CB -0.170 40.691 40.800 0.100 0.000 0.961 147 D HN 0.163 nan 8.370 nan 0.000 0.460 148 Q N -1.021 118.840 119.800 0.101 0.000 2.124 148 Q HA -0.175 4.166 4.340 0.000 0.000 0.202 148 Q C 1.834 177.892 176.000 0.096 0.000 0.977 148 Q CA 1.367 57.219 55.803 0.082 0.000 0.850 148 Q CB -0.705 28.078 28.738 0.074 0.000 0.901 148 Q HN 0.603 nan 8.270 nan 0.000 0.429 149 Y N -0.283 120.036 120.300 0.033 0.000 2.224 149 Y HA -0.171 4.378 4.550 -0.001 0.000 0.289 149 Y C 1.542 177.469 175.900 0.045 0.000 1.146 149 Y CA 1.518 59.639 58.100 0.034 0.000 1.182 149 Y CB 0.069 38.549 38.460 0.032 0.000 0.983 149 Y HN 0.124 nan 8.280 nan 0.000 0.524 150 L N -0.419 120.869 121.223 0.108 0.000 2.093 150 L HA -0.178 4.162 4.340 0.000 0.000 0.208 150 L C 2.463 179.312 176.870 -0.035 0.000 1.085 150 L CA 1.254 56.119 54.840 0.041 0.000 0.755 150 L CB -0.458 41.656 42.059 0.091 0.000 0.904 150 L HN 0.122 nan 8.230 nan 0.000 0.435 151 R N -0.162 120.327 120.500 -0.018 0.000 2.115 151 R HA -0.113 4.228 4.340 0.000 0.000 0.226 151 R C 1.771 178.035 176.300 -0.059 0.000 1.100 151 R CA 1.133 57.219 56.100 -0.024 0.000 0.980 151 R CB -0.238 30.062 30.300 0.001 0.000 0.875 151 R HN 0.317 nan 8.270 nan 0.000 0.445 152 D N 0.449 120.785 120.400 -0.106 0.000 2.178 152 D HA -0.169 4.471 4.640 0.000 0.000 0.202 152 D C 1.792 177.990 176.300 -0.169 0.000 0.974 152 D CA 1.040 54.960 54.000 -0.133 0.000 0.841 152 D CB -0.033 40.668 40.800 -0.166 0.000 0.953 152 D HN 0.247 nan 8.370 nan 0.000 0.478 153 Q N 0.349 120.007 119.800 -0.238 0.000 2.119 153 Q HA -0.172 4.168 4.340 0.000 0.000 0.201 153 Q C 1.525 177.512 176.000 -0.022 0.000 0.972 153 Q CA 1.496 57.206 55.803 -0.155 0.000 0.847 153 Q CB 0.085 28.746 28.738 -0.129 0.000 0.903 153 Q HN 0.150 nan 8.270 nan 0.000 0.433 154 D N -0.019 120.367 120.400 -0.024 0.000 2.117 154 D HA -0.197 4.444 4.640 0.000 0.000 0.198 154 D C 1.839 178.131 176.300 -0.012 0.000 0.982 154 D CA 1.326 55.323 54.000 -0.006 0.000 0.828 154 D CB 0.032 40.819 40.800 -0.022 0.000 0.967 154 D HN 0.146 nan 8.370 nan 0.000 0.464 155 K N -0.357 120.026 120.400 -0.029 0.000 2.057 155 K HA -0.186 4.134 4.320 0.000 0.000 0.207 155 K C 2.175 178.761 176.600 -0.024 0.000 1.049 155 K CA 1.140 57.411 56.287 -0.027 0.000 0.931 155 K CB 0.062 32.543 32.500 -0.031 0.000 0.714 155 K HN 0.162 nan 8.250 nan 0.000 0.440 156 Q N 0.219 120.000 119.800 -0.032 0.000 2.124 156 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 156 Q C 2.249 178.244 176.000 -0.008 0.000 0.977 156 Q CA 1.221 57.008 55.803 -0.028 0.000 0.850 156 Q CB -0.199 28.511 28.738 -0.046 0.000 0.901 156 Q HN 0.209 nan 8.270 nan 0.000 0.429 157 V N 2.279 122.203 119.914 0.016 0.000 2.343 157 V HA -0.254 3.866 4.120 0.000 0.000 0.247 157 V C 1.987 178.092 176.094 0.018 0.000 1.051 157 V CA 1.724 64.049 62.300 0.042 0.000 1.036 157 V CB -0.578 31.306 31.823 0.101 0.000 0.654 157 V HN 0.345 nan 8.190 nan 0.000 0.451 158 N N 0.150 118.853 118.700 0.004 0.000 2.104 158 N HA -0.104 4.636 4.740 0.000 0.000 0.190 158 N C 1.739 177.243 175.510 -0.011 0.000 1.024 158 N CA 1.661 54.706 53.050 -0.008 0.000 0.853 158 N CB -0.339 38.138 38.487 -0.018 0.000 1.008 158 N HN 0.445 nan 8.380 nan 0.000 0.424 159 I N 0.943 121.506 120.570 -0.012 0.000 2.315 159 I HA -0.192 3.978 4.170 0.000 0.000 0.248 159 I C 2.221 178.330 176.117 -0.012 0.000 1.117 159 I CA 0.875 62.166 61.300 -0.014 0.000 1.404 159 I CB -0.245 37.746 38.000 -0.016 0.000 1.071 159 I HN 0.047 nan 8.210 nan 0.000 0.419 160 A N 0.739 123.554 122.820 -0.008 0.000 2.015 160 A HA -0.125 4.195 4.320 0.000 0.000 0.219 160 A C 2.284 179.867 177.584 -0.003 0.000 1.163 160 A CA 1.281 53.314 52.037 -0.007 0.000 0.646 160 A CB -0.694 18.303 19.000 -0.004 0.000 0.806 160 A HN 0.386 nan 8.150 nan 0.000 0.448 161 I N -0.536 120.034 120.570 -0.000 0.000 2.202 161 I HA -0.166 4.004 4.170 0.000 0.000 0.242 161 I C 2.716 178.830 176.117 -0.006 0.000 1.091 161 I CA 1.076 62.377 61.300 0.001 0.000 1.368 161 I CB -0.546 37.454 38.000 -0.000 0.000 1.058 161 I HN 0.389 nan 8.210 nan 0.000 0.410 162 G N -0.038 108.755 108.800 -0.012 0.000 2.446 162 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 162 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 162 G C 1.759 176.647 174.900 -0.019 0.000 1.168 162 G CA 1.020 46.111 45.100 -0.016 0.000 0.771 162 G HN 0.351 nan 8.290 nan 0.000 0.551 163 S N 0.833 116.521 115.700 -0.020 0.000 2.368 163 S HA -0.110 4.360 4.470 0.000 0.000 0.225 163 S C 2.754 177.334 174.600 -0.033 0.000 1.030 163 S CA 1.429 59.613 58.200 -0.027 0.000 0.999 163 S CB -0.276 62.910 63.200 -0.023 0.000 0.844 163 S HN 0.378 nan 8.310 nan 0.000 0.459 164 S N 1.062 116.751 115.700 -0.018 0.000 2.368 164 S HA -0.066 4.404 4.470 0.000 0.000 0.225 164 S C 2.008 176.599 174.600 -0.015 0.000 1.030 164 S CA 1.037 59.230 58.200 -0.011 0.000 0.999 164 S CB -0.394 62.811 63.200 0.008 0.000 0.844 164 S HN 0.317 nan 8.310 nan 0.000 0.459 165 V N 1.895 121.803 119.914 -0.010 0.000 2.358 165 V HA -0.178 3.943 4.120 0.000 0.000 0.246 165 V C 2.629 178.710 176.094 -0.022 0.000 1.047 165 V CA 1.620 63.918 62.300 -0.003 0.000 1.035 165 V CB -1.163 30.660 31.823 -0.001 0.000 0.658 165 V HN 0.536 nan 8.190 nan 0.000 0.452 166 A N -0.636 122.161 122.820 -0.039 0.000 1.908 166 A HA -0.302 4.018 4.320 0.000 0.000 0.218 166 A C 2.166 179.684 177.584 -0.111 0.000 1.181 166 A CA 2.233 54.235 52.037 -0.058 0.000 0.627 166 A CB -0.530 18.438 19.000 -0.054 0.000 0.818 166 A HN 0.515 nan 8.150 nan 0.000 0.445 167 Q N -0.013 119.695 119.800 -0.153 0.000 2.083 167 Q HA -0.020 4.320 4.340 0.000 0.000 0.198 167 Q C 1.776 177.553 176.000 -0.370 0.000 0.969 167 Q CA 1.593 57.199 55.803 -0.328 0.000 0.838 167 Q CB -0.502 28.048 28.738 -0.315 0.000 0.900 167 Q HN 0.681 nan 8.270 nan 0.000 0.436 168 I N 0.676 121.170 120.570 -0.127 0.000 2.151 168 I HA -0.352 3.818 4.170 0.000 0.000 0.243 168 I C 1.701 177.834 176.117 0.028 0.000 1.080 168 I CA 1.282 62.591 61.300 0.015 0.000 1.339 168 I CB -0.380 37.657 38.000 0.062 0.000 1.039 168 I HN 0.255 nan 8.210 nan 0.000 0.409 169 N N 0.754 119.453 118.700 -0.001 0.000 2.069 169 N HA -0.232 4.508 4.740 0.000 0.000 0.191 169 N C 1.571 177.085 175.510 0.006 0.000 1.031 169 N CA 1.676 54.738 53.050 0.020 0.000 0.852 169 N CB -0.762 37.732 38.487 0.012 0.000 1.018 169 N HN 0.440 nan 8.380 nan 0.000 0.423 170 N N -0.763 117.898 118.700 -0.064 0.000 2.084 170 N HA -0.167 4.574 4.740 0.000 0.000 0.190 170 N C 1.373 176.909 175.510 0.044 0.000 1.030 170 N CA 0.868 53.883 53.050 -0.059 0.000 0.849 170 N CB -0.079 38.316 38.487 -0.154 0.000 1.012 170 N HN 0.098 nan 8.380 nan 0.000 0.423 171 Y N 1.070 121.383 120.300 0.022 0.000 2.128 171 Y HA -0.131 4.419 4.550 0.000 0.000 0.284 171 Y C 2.549 178.463 175.900 0.023 0.000 1.154 171 Y CA 0.835 58.948 58.100 0.022 0.000 1.149 171 Y CB -1.248 37.226 38.460 0.024 0.000 0.976 171 Y HN 0.185 nan 8.280 nan 0.000 0.505 172 A N 0.004 122.937 122.820 0.188 0.000 1.873 172 A HA -0.305 4.015 4.320 0.000 0.000 0.218 172 A C 2.349 179.981 177.584 0.080 0.000 1.193 172 A CA 2.326 54.429 52.037 0.109 0.000 0.629 172 A CB -0.821 18.227 19.000 0.081 0.000 0.826 172 A HN 0.433 nan 8.150 nan 0.000 0.447 173 K N -0.851 119.592 120.400 0.072 0.000 2.063 173 K HA -0.198 4.122 4.320 0.000 0.000 0.208 173 K C 2.381 179.014 176.600 0.055 0.000 1.048 173 K CA 1.770 58.088 56.287 0.052 0.000 0.928 173 K CB -0.175 32.350 32.500 0.041 0.000 0.713 173 K HN 0.668 nan 8.250 nan 0.000 0.442 174 Q N 0.045 119.894 119.800 0.081 0.000 2.079 174 Q HA -0.116 4.224 4.340 0.000 0.000 0.200 174 Q C 2.092 178.122 176.000 0.050 0.000 0.974 174 Q CA 1.381 57.227 55.803 0.072 0.000 0.840 174 Q CB -0.013 28.792 28.738 0.112 0.000 0.898 174 Q HN 0.375 nan 8.270 nan 0.000 0.430 175 I N 0.445 121.052 120.570 0.061 0.000 2.252 175 I HA -0.227 3.943 4.170 0.000 0.000 0.245 175 I C 2.420 178.554 176.117 0.028 0.000 1.102 175 I CA 0.811 62.136 61.300 0.042 0.000 1.385 175 I CB -0.422 37.617 38.000 0.065 0.000 1.064 175 I HN 0.128 nan 8.210 nan 0.000 0.414 176 A N 1.388 124.227 122.820 0.032 0.000 1.902 176 A HA -0.289 4.032 4.320 0.000 0.000 0.217 176 A C 2.066 179.653 177.584 0.006 0.000 1.181 176 A CA 2.455 54.504 52.037 0.018 0.000 0.623 176 A CB -1.028 17.983 19.000 0.018 0.000 0.818 176 A HN 0.560 nan 8.150 nan 0.000 0.443 177 N N -0.127 118.578 118.700 0.009 0.000 2.120 177 N HA -0.108 4.633 4.740 0.000 0.000 0.188 177 N C 1.568 177.071 175.510 -0.011 0.000 1.024 177 N CA 1.676 54.727 53.050 0.002 0.000 0.852 177 N CB -0.395 38.098 38.487 0.009 0.000 1.003 177 N HN 0.456 nan 8.380 nan 0.000 0.424 178 L N 0.089 121.303 121.223 -0.017 0.000 2.046 178 L HA -0.131 4.209 4.340 0.000 0.000 0.208 178 L C 2.070 178.903 176.870 -0.061 0.000 1.077 178 L CA 0.819 55.636 54.840 -0.039 0.000 0.747 178 L CB -0.657 41.372 42.059 -0.049 0.000 0.896 178 L HN 0.302 nan 8.230 nan 0.000 0.432 179 N N 0.130 118.795 118.700 -0.059 0.000 2.094 179 N HA -0.248 4.492 4.740 0.000 0.000 0.191 179 N C 1.509 176.990 175.510 -0.048 0.000 1.023 179 N CA 1.748 54.758 53.050 -0.068 0.000 0.857 179 N CB -0.297 38.173 38.487 -0.028 0.000 1.013 179 N HN 0.325 nan 8.380 nan 0.000 0.426 180 D N 0.321 120.702 120.400 -0.030 0.000 2.084 180 D HA -0.075 4.566 4.640 0.000 0.000 0.196 180 D C 1.876 178.160 176.300 -0.026 0.000 0.985 180 D CA 1.104 55.090 54.000 -0.022 0.000 0.826 180 D CB -0.043 40.750 40.800 -0.013 0.000 0.978 180 D HN 0.271 nan 8.370 nan 0.000 0.456 181 Q N -0.223 119.560 119.800 -0.028 0.000 2.077 181 Q HA -0.174 4.166 4.340 0.000 0.000 0.206 181 Q C 2.498 178.477 176.000 -0.036 0.000 0.989 181 Q CA 1.320 57.107 55.803 -0.028 0.000 0.853 181 Q CB -0.205 28.517 28.738 -0.027 0.000 0.907 181 Q HN 0.448 nan 8.270 nan 0.000 0.418 182 I N 0.085 120.624 120.570 -0.052 0.000 2.454 182 I HA -0.219 3.951 4.170 0.000 0.000 0.254 182 I C 2.196 178.282 176.117 -0.051 0.000 1.156 182 I CA 0.637 61.899 61.300 -0.063 0.000 1.433 182 I CB -0.083 37.856 38.000 -0.101 0.000 1.082 182 I HN 0.069 nan 8.210 nan 0.000 0.432 183 S N 0.301 115.975 115.700 -0.043 0.000 2.436 183 S HA 0.001 4.471 4.470 0.000 0.000 0.228 183 S C 1.925 176.511 174.600 -0.023 0.000 1.014 183 S CA 0.659 58.840 58.200 -0.032 0.000 0.950 183 S CB -0.014 63.170 63.200 -0.026 0.000 0.784 183 S HN 0.369 nan 8.310 nan 0.000 0.504 184 R N 0.345 120.831 120.500 -0.022 0.000 2.276 184 R HA 0.191 4.532 4.340 0.000 0.000 0.203 184 R C 0.811 177.101 176.300 -0.017 0.000 1.017 184 R CA 0.318 56.408 56.100 -0.017 0.000 1.010 184 R CB -0.361 29.930 30.300 -0.015 0.000 0.900 184 R HN 0.427 nan 8.270 nan 0.000 0.469 196 D N 1.586 121.973 120.400 -0.021 0.000 2.137 196 D HA 0.082 4.722 4.640 0.000 0.000 0.202 196 D C 1.928 178.213 176.300 -0.026 0.000 0.970 196 D CA 0.865 54.853 54.000 -0.018 0.000 0.837 196 D CB 0.407 41.199 40.800 -0.014 0.000 0.981 196 D HN 0.204 nan 8.370 nan 0.000 0.475 197 L N 0.118 121.320 121.223 -0.034 0.000 2.156 197 L HA -0.099 4.241 4.340 0.000 0.000 0.208 197 L C 2.495 179.325 176.870 -0.067 0.000 1.095 197 L CA 0.324 55.136 54.840 -0.046 0.000 0.770 197 L CB -0.230 41.800 42.059 -0.049 0.000 0.914 197 L HN -0.006 nan 8.230 nan 0.000 0.439 198 L N -0.376 120.806 121.223 -0.069 0.000 2.131 198 L HA -0.219 4.121 4.340 0.000 0.000 0.210 198 L C 2.040 178.872 176.870 -0.063 0.000 1.092 198 L CA 1.506 56.293 54.840 -0.089 0.000 0.759 198 L CB -0.536 41.482 42.059 -0.069 0.000 0.903 198 L HN 0.246 nan 8.230 nan 0.000 0.435 199 D N -1.274 119.103 120.400 -0.038 0.000 2.213 199 D HA -0.104 4.536 4.640 0.000 0.000 0.205 199 D C 2.221 178.507 176.300 -0.024 0.000 0.961 199 D CA 0.651 54.638 54.000 -0.021 0.000 0.853 199 D CB -0.020 40.774 40.800 -0.011 0.000 0.967 199 D HN 0.408 nan 8.370 nan 0.000 0.496 200 Q N 0.344 120.125 119.800 -0.031 0.000 2.170 200 Q HA -0.094 4.246 4.340 0.000 0.000 0.203 200 Q C 2.172 178.148 176.000 -0.039 0.000 0.976 200 Q CA 0.815 56.600 55.803 -0.030 0.000 0.858 200 Q CB 0.125 28.848 28.738 -0.025 0.000 0.907 200 Q HN 0.161 nan 8.270 nan 0.000 0.433 201 R N 0.665 121.134 120.500 -0.051 0.000 2.062 201 R HA -0.134 4.206 4.340 0.000 0.000 0.229 201 R C 1.414 177.715 176.300 0.001 0.000 1.128 201 R CA 1.527 57.596 56.100 -0.052 0.000 0.960 201 R CB 0.096 30.309 30.300 -0.145 0.000 0.855 201 R HN 0.142 nan 8.270 nan 0.000 0.432 202 D N 0.260 120.669 120.400 0.015 0.000 2.178 202 D HA -0.174 4.466 4.640 0.000 0.000 0.201 202 D C 1.798 178.097 176.300 -0.003 0.000 0.980 202 D CA 0.965 55.000 54.000 0.059 0.000 0.842 202 D CB -0.026 40.808 40.800 0.055 0.000 0.948 202 D HN 0.338 nan 8.370 nan 0.000 0.472 203 Q N -0.345 119.436 119.800 -0.031 0.000 2.049 203 Q HA -0.104 4.236 4.340 0.000 0.000 0.198 203 Q C 2.041 177.966 176.000 -0.125 0.000 0.971 203 Q CA 0.516 56.282 55.803 -0.061 0.000 0.833 203 Q CB -0.041 28.668 28.738 -0.049 0.000 0.896 203 Q HN 0.172 nan 8.270 nan 0.000 0.434 204 L N 0.073 121.212 121.223 -0.140 0.000 2.079 204 L HA -0.166 4.174 4.340 0.000 0.000 0.210 204 L C 2.245 178.960 176.870 -0.259 0.000 1.081 204 L CA 1.239 55.922 54.840 -0.262 0.000 0.752 204 L CB -0.821 41.148 42.059 -0.149 0.000 0.896 204 L HN 0.046 nan 8.230 nan 0.000 0.433 205 V N -1.726 118.126 119.914 -0.104 0.000 2.307 205 V HA -0.244 3.876 4.120 0.000 0.000 0.245 205 V C 2.669 178.713 176.094 -0.084 0.000 1.045 205 V CA 1.653 63.920 62.300 -0.054 0.000 1.024 205 V CB -0.524 31.317 31.823 0.029 0.000 0.651 205 V HN 0.580 nan 8.190 nan 0.000 0.449 206 S N -0.455 115.192 115.700 -0.089 0.000 2.370 206 S HA -0.245 4.225 4.470 0.000 0.000 0.226 206 S C 1.989 176.533 174.600 -0.094 0.000 1.033 206 S CA 1.751 59.899 58.200 -0.086 0.000 1.011 206 S CB -0.292 62.858 63.200 -0.085 0.000 0.852 206 S HN 0.621 nan 8.310 nan 0.000 0.457 207 E N 0.811 120.911 120.200 -0.166 0.000 2.072 207 E HA -0.078 4.273 4.350 0.000 0.000 0.191 207 E C 2.087 178.637 176.600 -0.084 0.000 0.985 207 E CA 0.866 57.157 56.400 -0.181 0.000 0.801 207 E CB -0.644 28.801 29.700 -0.425 0.000 0.750 207 E HN 0.512 nan 8.360 nan 0.000 0.452 208 L N 1.921 123.069 121.223 -0.125 0.000 2.056 208 L HA -0.129 4.211 4.340 0.000 0.000 0.207 208 L C 1.782 178.697 176.870 0.074 0.000 1.078 208 L CA 1.939 56.841 54.840 0.103 0.000 0.749 208 L CB -1.116 40.997 42.059 0.090 0.000 0.901 208 L HN 0.021 nan 8.230 nan 0.000 0.433 209 N N -0.555 118.153 118.700 0.013 0.000 2.364 209 N HA -0.195 4.545 4.740 0.000 0.000 0.183 209 N C 1.738 177.258 175.510 0.017 0.000 1.022 209 N CA 1.200 54.255 53.050 0.007 0.000 0.883 209 N CB -0.040 38.432 38.487 -0.024 0.000 0.965 209 N HN 0.412 nan 8.380 nan 0.000 0.438 210 K N -0.368 120.046 120.400 0.024 0.000 2.155 210 K HA 0.036 4.356 4.320 0.000 0.000 0.203 210 K C 1.628 178.259 176.600 0.051 0.000 1.052 210 K CA 0.888 57.194 56.287 0.032 0.000 0.948 210 K CB 0.109 32.630 32.500 0.034 0.000 0.728 210 K HN 0.309 nan 8.250 nan 0.000 0.448 211 I N -0.124 120.491 120.570 0.076 0.000 2.339 211 I HA -0.058 4.112 4.170 0.000 0.000 0.245 211 I C 0.812 176.966 176.117 0.062 0.000 1.096 211 I CA 0.472 61.819 61.300 0.077 0.000 1.408 211 I CB 0.364 38.429 38.000 0.109 0.000 1.092 211 I HN -0.132 nan 8.210 nan 0.000 0.423 212 V N 0.716 120.668 119.914 0.065 0.000 2.777 212 V HA 0.590 4.710 4.120 0.000 0.000 0.306 212 V C -0.179 175.941 176.094 0.043 0.000 1.112 212 V CA -0.749 61.583 62.300 0.053 0.000 0.917 212 V CB 1.599 33.459 31.823 0.062 0.000 1.018 212 V HN 0.258 nan 8.190 nan 0.000 0.426 213 G N 5.154 113.973 108.800 0.030 0.000 2.272 213 G HA2 0.475 4.435 3.960 0.000 0.000 0.247 213 G HA3 0.475 4.435 3.960 0.000 0.000 0.247 213 G C -0.349 174.558 174.900 0.012 0.000 1.272 213 G CA 0.659 45.768 45.100 0.015 0.000 0.921 213 G HN 1.535 nan 8.290 nan 0.000 0.495 214 V N 0.381 120.292 119.914 -0.005 0.000 3.007 214 V HA 0.806 4.926 4.120 0.000 0.000 0.311 214 V C -0.413 175.654 176.094 -0.045 0.000 1.120 214 V CA -1.331 60.958 62.300 -0.017 0.000 0.980 214 V CB 2.063 33.877 31.823 -0.014 0.000 1.033 214 V HN 0.896 nan 8.190 nan 0.000 0.429 215 E N 2.152 122.319 120.200 -0.056 0.000 2.179 215 E HA 0.729 5.079 4.350 0.000 0.000 0.275 215 E C -1.199 175.329 176.600 -0.120 0.000 0.945 215 E CA -0.913 55.438 56.400 -0.081 0.000 0.792 215 E CB 2.382 32.042 29.700 -0.067 0.000 1.125 215 E HN 0.487 nan 8.360 nan 0.000 0.397 216 V N 2.148 121.958 119.914 -0.173 0.000 2.481 216 V HA 0.346 4.466 4.120 0.000 0.000 0.286 216 V C -0.113 175.833 176.094 -0.247 0.000 1.042 216 V CA -0.365 61.763 62.300 -0.287 0.000 0.928 216 V CB 1.496 33.046 31.823 -0.455 0.000 0.986 216 V HN 0.747 nan 8.190 nan 0.000 0.462 217 S N 2.838 118.398 115.700 -0.233 0.000 2.536 217 S HA 0.727 5.197 4.470 0.000 0.000 0.287 217 S C -0.918 173.619 174.600 -0.104 0.000 1.101 217 S CA -0.470 57.646 58.200 -0.139 0.000 0.950 217 S CB 1.883 65.033 63.200 -0.084 0.000 1.056 217 S HN 0.437 nan 8.310 nan 0.000 0.481 218 V N 4.452 124.342 119.914 -0.040 0.000 2.398 218 V HA 0.438 4.558 4.120 0.000 0.000 0.286 218 V C 0.193 176.314 176.094 0.045 0.000 1.026 218 V CA -0.695 61.639 62.300 0.057 0.000 0.868 218 V CB 1.480 33.357 31.823 0.089 0.000 0.982 218 V HN 0.844 nan 8.190 nan 0.000 0.443 219 Q N 1.787 121.624 119.800 0.062 0.000 2.312 219 Q HA 0.143 4.483 4.340 0.000 0.000 0.236 219 Q C 0.492 176.509 176.000 0.028 0.000 0.965 219 Q CA -0.642 55.181 55.803 0.033 0.000 0.894 219 Q CB 0.912 29.667 28.738 0.029 0.000 1.225 219 Q HN 0.676 nan 8.270 nan 0.000 0.478 220 D N 1.081 121.490 120.400 0.015 0.000 2.203 220 D HA -0.149 4.491 4.640 0.000 0.000 0.199 220 D C 1.465 177.771 176.300 0.011 0.000 0.997 220 D CA 1.543 55.550 54.000 0.011 0.000 0.863 220 D CB -0.250 40.553 40.800 0.005 0.000 0.928 220 D HN 0.805 nan 8.370 nan 0.000 0.458 221 G N -1.207 107.599 108.800 0.010 0.000 2.848 221 G HA2 0.233 4.193 3.960 0.000 0.000 0.208 221 G HA3 0.233 4.193 3.960 0.000 0.000 0.208 221 G C 1.243 176.145 174.900 0.004 0.000 1.152 221 G CA 0.621 45.723 45.100 0.004 0.000 0.789 221 G HN 0.489 nan 8.290 nan 0.000 0.531 222 G N -1.171 107.641 108.800 0.019 0.000 2.175 222 G HA2 -0.263 3.697 3.960 0.000 0.000 0.244 222 G HA3 -0.263 3.697 3.960 0.000 0.000 0.244 222 G C 0.526 175.442 174.900 0.027 0.000 0.982 222 G CA 0.581 45.696 45.100 0.025 0.000 0.641 222 G HN 0.760 nan 8.290 nan 0.000 0.527 223 T N 0.280 114.852 114.554 0.030 0.000 2.904 223 T HA 0.544 4.895 4.350 0.000 0.000 0.290 223 T C -0.091 174.715 174.700 0.178 0.000 1.018 223 T CA -0.333 61.784 62.100 0.029 0.000 1.075 223 T CB 0.320 69.194 68.868 0.009 0.000 0.986 223 T HN 0.139 nan 8.240 nan 0.000 0.523 224 Y N 3.030 123.316 120.300 -0.023 0.000 2.310 224 Y HA 0.419 4.969 4.550 0.000 0.000 0.326 224 Y C 0.722 176.603 175.900 -0.032 0.000 1.151 224 Y CA -1.394 56.689 58.100 -0.027 0.000 1.195 224 Y CB 0.803 39.246 38.460 -0.028 0.000 1.210 224 Y HN 0.560 nan 8.280 nan 0.000 0.483 225 N N 2.435 121.176 118.700 0.069 0.000 2.372 225 N HA 0.388 5.128 4.740 0.000 0.000 0.291 225 N C -1.542 173.936 175.510 -0.054 0.000 1.024 225 N CA -0.607 52.441 53.050 -0.004 0.000 0.873 225 N CB 1.472 39.939 38.487 -0.033 0.000 1.206 225 N HN 0.293 nan 8.380 nan 0.000 0.486 226 L N 1.629 122.825 121.223 -0.045 0.000 2.296 226 L HA 0.514 4.854 4.340 0.000 0.000 0.286 226 L C 0.023 176.849 176.870 -0.073 0.000 1.023 226 L CA -0.204 54.600 54.840 -0.060 0.000 0.812 226 L CB 1.399 43.442 42.059 -0.026 0.000 1.223 226 L HN 0.462 nan 8.230 nan 0.000 0.421 227 T N 3.998 118.511 114.554 -0.068 0.000 2.841 227 T HA 0.589 4.939 4.350 0.000 0.000 0.285 227 T C 0.196 174.878 174.700 -0.030 0.000 0.991 227 T CA -0.618 61.443 62.100 -0.064 0.000 0.966 227 T CB 1.317 70.146 68.868 -0.066 0.000 0.962 227 T HN 0.348 nan 8.240 nan 0.000 0.438 228 M N 1.527 121.127 119.600 0.001 0.000 2.163 228 M HA 0.400 4.880 4.480 0.000 0.000 0.305 228 M C 1.876 178.183 176.300 0.012 0.000 1.166 228 M CA -0.538 54.780 55.300 0.029 0.000 1.132 228 M CB 0.386 33.038 32.600 0.087 0.000 1.413 228 M HN 0.790 nan 8.290 nan 0.000 0.478 229 A N 1.071 123.899 122.820 0.013 0.000 2.019 229 A HA -0.161 4.159 4.320 0.000 0.000 0.219 229 A C 1.529 179.114 177.584 0.001 0.000 1.164 229 A CA 1.970 54.010 52.037 0.004 0.000 0.644 229 A CB -0.942 18.062 19.000 0.007 0.000 0.805 229 A HN 0.935 nan 8.150 nan 0.000 0.449 230 N N -0.988 117.715 118.700 0.006 0.000 2.461 230 N HA 0.195 4.935 4.740 0.000 0.000 0.188 230 N C 1.023 176.515 175.510 -0.030 0.000 1.134 230 N CA 1.271 54.315 53.050 -0.009 0.000 0.878 230 N CB -0.368 38.113 38.487 -0.009 0.000 0.972 230 N HN 0.800 nan 8.380 nan 0.000 0.456 231 G N -0.914 107.876 108.800 -0.017 0.000 2.175 231 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 231 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 231 G C -0.414 174.468 174.900 -0.029 0.000 0.982 231 G CA 0.135 45.216 45.100 -0.032 0.000 0.641 231 G HN 0.487 nan 8.290 nan 0.000 0.527 232 Y N 2.670 122.861 120.300 -0.181 0.000 2.544 232 Y HA 0.457 5.007 4.550 0.000 0.000 0.330 232 Y C 0.831 176.669 175.900 -0.103 0.000 1.136 232 Y CA 0.776 58.753 58.100 -0.205 0.000 1.417 232 Y CB 0.729 39.050 38.460 -0.232 0.000 1.229 232 Y HN 0.057 nan 8.280 nan 0.000 0.532 233 T N 8.800 123.009 114.554 -0.574 0.000 3.162 233 T HA 0.172 4.522 4.350 0.000 0.000 0.316 233 T C 1.642 176.016 174.700 -0.543 0.000 1.182 233 T CA -0.215 61.629 62.100 -0.426 0.000 1.015 233 T CB -0.195 68.515 68.868 -0.264 0.000 1.089 233 T HN 0.730 nan 8.240 nan 0.000 0.646 234 L N 2.496 123.497 121.223 -0.370 0.000 2.083 234 L HA 0.022 4.363 4.340 0.000 0.000 0.209 234 L C 0.596 177.390 176.870 -0.127 0.000 1.083 234 L CA 0.992 55.699 54.840 -0.222 0.000 0.752 234 L CB 0.110 42.148 42.059 -0.035 0.000 0.899 234 L HN 0.347 nan 8.230 nan 0.000 0.433 235 V N -0.469 119.388 119.914 -0.095 0.000 2.525 235 V HA 0.291 4.411 4.120 0.000 0.000 0.299 235 V C -0.549 175.518 176.094 -0.044 0.000 1.034 235 V CA -0.540 61.735 62.300 -0.041 0.000 0.863 235 V CB 1.652 33.482 31.823 0.012 0.000 0.999 235 V HN 0.144 nan 8.190 nan 0.000 0.423 236 Q N 3.385 123.162 119.800 -0.039 0.000 2.490 236 Q HA 0.539 4.879 4.340 0.000 0.000 0.255 236 Q C 0.722 176.717 176.000 -0.009 0.000 0.997 236 Q CA 0.497 56.281 55.803 -0.031 0.000 0.709 236 Q CB 1.286 29.991 28.738 -0.054 0.000 1.255 236 Q HN 1.147 nan 8.270 nan 0.000 0.486 237 G N 1.938 110.745 108.800 0.011 0.000 2.602 237 G HA2 -0.394 3.566 3.960 0.000 0.000 0.310 237 G HA3 -0.394 3.566 3.960 0.000 0.000 0.310 237 G C 0.616 175.519 174.900 0.005 0.000 1.183 237 G CA 0.537 45.644 45.100 0.012 0.000 0.979 237 G HN 0.604 nan 8.290 nan 0.000 0.545 238 S N 0.774 116.473 115.700 -0.001 0.000 2.558 238 S HA 0.305 4.775 4.470 0.000 0.000 0.217 238 S C 0.871 175.470 174.600 -0.001 0.000 0.975 238 S CA 1.225 59.424 58.200 -0.002 0.000 0.912 238 S CB 0.299 63.497 63.200 -0.003 0.000 0.776 238 S HN 0.773 nan 8.310 nan 0.000 0.526 239 T N 3.145 117.696 114.554 -0.005 0.000 2.771 239 T HA 0.613 4.963 4.350 0.000 0.000 0.291 239 T C -0.087 174.605 174.700 -0.013 0.000 0.954 239 T CA -0.318 61.777 62.100 -0.009 0.000 1.045 239 T CB 1.234 70.091 68.868 -0.017 0.000 0.917 239 T HN 0.230 nan 8.240 nan 0.000 0.484 240 A N 4.558 127.377 122.820 -0.002 0.000 2.317 240 A HA 0.765 5.085 4.320 0.000 0.000 0.327 240 A C 0.135 177.721 177.584 0.004 0.000 1.178 240 A CA -0.810 51.228 52.037 0.002 0.000 0.817 240 A CB 0.908 19.921 19.000 0.022 0.000 1.189 240 A HN 0.799 nan 8.150 nan 0.000 0.489 241 R N 0.816 121.312 120.500 -0.008 0.000 2.902 241 R HA 0.621 4.962 4.340 0.000 0.000 0.258 241 R C -0.940 175.439 176.300 0.132 0.000 1.071 241 R CA -0.659 55.463 56.100 0.036 0.000 1.024 241 R CB 1.833 32.073 30.300 -0.099 0.000 1.184 241 R HN 0.882 nan 8.270 nan 0.000 0.492 242 Q N 0.441 120.381 119.800 0.235 0.000 2.433 242 Q HA 0.520 4.860 4.340 0.000 0.000 0.279 242 Q C -0.945 175.205 176.000 0.250 0.000 1.105 242 Q CA -0.721 55.208 55.803 0.210 0.000 0.815 242 Q CB 2.516 31.321 28.738 0.113 0.000 1.403 242 Q HN 0.296 nan 8.270 nan 0.000 0.435 243 L N 0.415 121.734 121.223 0.160 0.000 2.365 243 L HA 0.937 5.277 4.340 0.000 0.000 0.267 243 L C -0.571 176.316 176.870 0.028 0.000 1.033 243 L CA -0.989 53.898 54.840 0.077 0.000 0.802 243 L CB 1.420 43.525 42.059 0.076 0.000 1.267 243 L HN 0.658 nan 8.230 nan 0.000 0.457 244 A N 0.607 123.420 122.820 -0.013 0.000 2.449 244 A HA 0.828 5.148 4.320 0.000 0.000 0.302 244 A C -0.866 176.699 177.584 -0.031 0.000 1.048 244 A CA -0.565 51.458 52.037 -0.023 0.000 0.708 244 A CB 1.641 20.617 19.000 -0.039 0.000 1.274 244 A HN 0.698 nan 8.150 nan 0.000 0.410 245 A N 1.241 124.045 122.820 -0.026 0.000 2.276 245 A HA 0.643 4.963 4.320 0.000 0.000 0.300 245 A C 0.114 177.675 177.584 -0.037 0.000 1.235 245 A CA 0.099 52.118 52.037 -0.029 0.000 0.867 245 A CB -0.207 18.779 19.000 -0.022 0.000 1.137 245 A HN 2.219 nan 8.150 nan 0.000 0.527 246 V N -0.022 119.864 119.914 -0.045 0.000 3.078 246 V HA 0.769 4.889 4.120 0.000 0.000 0.311 246 V C -3.194 172.867 176.094 -0.055 0.000 1.138 246 V CA -2.804 59.465 62.300 -0.052 0.000 1.007 246 V CB 1.797 33.581 31.823 -0.065 0.000 1.045 246 V HN 0.580 nan 8.190 nan 0.000 0.432 247 P HA 0.212 nan 4.420 nan 0.000 0.267 247 P C 0.100 177.357 177.300 -0.073 0.000 1.205 247 P CA 0.388 63.448 63.100 -0.066 0.000 0.765 247 P CB 0.531 32.193 31.700 -0.064 0.000 0.828 248 S N 1.767 117.419 115.700 -0.080 0.000 2.572 248 S HA 0.041 4.511 4.470 0.000 0.000 0.279 248 S C 1.470 176.022 174.600 -0.081 0.000 1.341 248 S CA 0.324 58.477 58.200 -0.077 0.000 1.043 248 S CB 0.211 63.366 63.200 -0.076 0.000 0.887 248 S HN 0.460 nan 8.310 nan 0.000 0.516 249 S N 2.718 118.375 115.700 -0.071 0.000 2.423 249 S HA -0.027 4.443 4.470 0.000 0.000 0.231 249 S C 1.794 176.356 174.600 -0.064 0.000 1.014 249 S CA 0.540 58.700 58.200 -0.066 0.000 0.965 249 S CB -0.872 62.290 63.200 -0.064 0.000 0.785 249 S HN 1.146 nan 8.310 nan 0.000 0.495 250 A N 0.630 123.414 122.820 -0.061 0.000 2.123 250 A HA 0.249 4.569 4.320 0.000 0.000 0.214 250 A C 0.749 178.296 177.584 -0.062 0.000 1.152 250 A CA 0.749 52.761 52.037 -0.042 0.000 0.728 250 A CB -0.012 18.974 19.000 -0.024 0.000 0.814 250 A HN 0.490 nan 8.150 nan 0.000 0.464 251 D N -1.969 118.347 120.400 -0.141 0.000 2.452 251 D HA 0.252 4.893 4.640 0.000 0.000 0.226 251 D C -2.750 173.364 176.300 -0.311 0.000 1.366 251 D CA -1.338 52.470 54.000 -0.319 0.000 0.986 251 D CB 1.459 42.101 40.800 -0.263 0.000 1.420 251 D HN -0.138 nan 8.370 nan 0.000 0.583 252 P HA -0.025 nan 4.420 nan 0.000 0.228 252 P C 1.135 178.317 177.300 -0.196 0.000 1.151 252 P CA 0.983 63.957 63.100 -0.210 0.000 0.770 252 P CB 0.098 31.709 31.700 -0.149 0.000 0.786 253 T N -4.425 109.965 114.554 -0.274 0.000 3.107 253 T HA 0.112 4.462 4.350 0.000 0.000 0.249 253 T C 0.743 175.370 174.700 -0.122 0.000 1.096 253 T CA -0.295 61.705 62.100 -0.165 0.000 1.012 253 T CB -0.148 68.626 68.868 -0.156 0.000 0.977 253 T HN -0.025 nan 8.240 nan 0.000 0.527 254 R N 1.140 121.557 120.500 -0.137 0.000 2.445 254 R HA 0.498 4.838 4.340 0.000 0.000 0.308 254 R C -1.123 175.131 176.300 -0.076 0.000 0.961 254 R CA -0.352 55.692 56.100 -0.095 0.000 0.862 254 R CB 1.141 31.382 30.300 -0.097 0.000 1.144 254 R HN 0.036 nan 8.270 nan 0.000 0.447 255 T N 2.877 117.399 114.554 -0.054 0.000 2.856 255 T HA 0.279 4.629 4.350 0.000 0.000 0.292 255 T C -0.219 174.459 174.700 -0.038 0.000 0.980 255 T CA -0.063 62.011 62.100 -0.044 0.000 1.091 255 T CB 1.527 70.376 68.868 -0.033 0.000 0.936 255 T HN 0.663 nan 8.240 nan 0.000 0.503 256 T N 1.485 116.015 114.554 -0.039 0.000 2.626 256 T HA 0.680 5.030 4.350 0.000 0.000 0.279 256 T C -1.382 173.299 174.700 -0.032 0.000 0.983 256 T CA -0.493 61.587 62.100 -0.032 0.000 1.059 256 T CB 1.155 70.001 68.868 -0.037 0.000 1.396 256 T HN 0.293 nan 8.240 nan 0.000 0.519 257 V N 1.274 121.171 119.914 -0.028 0.000 2.604 257 V HA 0.882 5.002 4.120 0.000 0.000 0.305 257 V C -0.058 176.008 176.094 -0.047 0.000 1.043 257 V CA -0.680 61.604 62.300 -0.027 0.000 0.888 257 V CB 1.050 32.870 31.823 -0.003 0.000 0.995 257 V HN 1.115 nan 8.190 nan 0.000 0.429 258 A N 3.579 126.355 122.820 -0.073 0.000 2.469 258 A HA 0.931 5.251 4.320 0.000 0.000 0.299 258 A C -1.136 176.355 177.584 -0.155 0.000 1.098 258 A CA -0.639 51.313 52.037 -0.143 0.000 0.737 258 A CB 1.519 20.404 19.000 -0.192 0.000 1.312 258 A HN 1.044 nan 8.150 nan 0.000 0.414 259 Y N -0.482 119.627 120.300 -0.318 0.000 2.403 259 Y HA 0.708 5.259 4.550 0.000 0.000 0.323 259 Y C -0.490 175.206 175.900 -0.340 0.000 1.226 259 Y CA -1.452 56.293 58.100 -0.592 0.000 1.235 259 Y CB 0.792 38.465 38.460 -1.311 0.000 1.248 259 Y HN 0.276 nan 8.280 nan 0.000 0.489 260 V N 2.671 122.546 119.914 -0.066 0.000 2.347 260 V HA 0.144 4.265 4.120 0.000 0.000 0.280 260 V C -0.794 175.392 176.094 0.154 0.000 1.021 260 V CA -0.646 61.663 62.300 0.014 0.000 0.847 260 V CB 0.818 32.687 31.823 0.076 0.000 0.990 260 V HN 0.861 nan 8.190 nan 0.000 0.444 261 D N 2.968 123.402 120.400 0.057 0.000 2.295 261 D HA 0.144 4.784 4.640 0.000 0.000 0.248 261 D C 1.372 177.717 176.300 0.075 0.000 1.154 261 D CA -0.210 53.865 54.000 0.125 0.000 0.857 261 D CB 1.197 42.041 40.800 0.074 0.000 1.117 261 D HN 0.768 nan 8.370 nan 0.000 0.468 262 E N 3.325 123.581 120.200 0.093 0.000 2.208 262 E HA -0.335 4.015 4.350 0.000 0.000 0.202 262 E C 1.051 177.674 176.600 0.037 0.000 1.014 262 E CA 1.673 58.109 56.400 0.060 0.000 0.819 262 E CB 0.035 29.771 29.700 0.059 0.000 0.735 262 E HN 0.457 nan 8.360 nan 0.000 0.469 263 A N 0.833 123.675 122.820 0.036 0.000 1.909 263 A HA 0.458 4.778 4.320 0.000 0.000 0.209 263 A C 2.311 179.900 177.584 0.007 0.000 1.247 263 A CA 0.749 52.799 52.037 0.021 0.000 0.660 263 A CB -0.370 18.644 19.000 0.024 0.000 0.910 263 A HN 0.376 nan 8.150 nan 0.000 0.465 264 A N -1.214 121.608 122.820 0.004 0.000 2.169 264 A HA 0.468 4.788 4.320 0.000 0.000 0.212 264 A C 1.543 179.102 177.584 -0.042 0.000 1.153 264 A CA 1.447 53.473 52.037 -0.019 0.000 0.756 264 A CB -0.969 18.018 19.000 -0.022 0.000 0.813 264 A HN 2.080 nan 8.150 nan 0.000 0.471 265 G N -0.268 108.507 108.800 -0.040 0.000 2.508 265 G HA2 -0.217 3.743 3.960 0.000 0.000 0.220 265 G HA3 -0.217 3.743 3.960 0.000 0.000 0.220 265 G C -0.445 174.384 174.900 -0.118 0.000 1.287 265 G CA -0.292 44.772 45.100 -0.060 0.000 0.916 265 G HN 0.596 nan 8.290 nan 0.000 0.574 266 N N 0.442 119.062 118.700 -0.134 0.000 2.475 266 N HA 0.457 5.197 4.740 0.000 0.000 0.267 266 N C -0.119 175.212 175.510 -0.298 0.000 1.169 266 N CA 0.011 52.940 53.050 -0.201 0.000 0.947 266 N CB 0.729 39.132 38.487 -0.141 0.000 1.061 266 N HN 0.457 nan 8.380 nan 0.000 0.466 267 I N 1.525 121.774 120.570 -0.535 0.000 2.382 267 I HA 0.128 4.298 4.170 0.000 0.000 0.286 267 I C 0.322 176.122 176.117 -0.528 0.000 1.002 267 I CA -0.610 60.320 61.300 -0.617 0.000 1.135 267 I CB 1.442 38.828 38.000 -1.022 0.000 1.288 267 I HN 0.533 nan 8.210 nan 0.000 0.448 268 E N 6.743 126.783 120.200 -0.267 0.000 2.414 268 E HA 0.211 4.561 4.350 0.000 0.000 0.263 268 E C -0.855 175.696 176.600 -0.081 0.000 1.000 268 E CA -0.208 56.100 56.400 -0.153 0.000 0.914 268 E CB 0.868 30.507 29.700 -0.103 0.000 0.948 268 E HN 0.460 nan 8.360 nan 0.000 0.444 269 I N 6.828 127.382 120.570 -0.028 0.000 2.331 269 I HA 0.235 4.406 4.170 0.000 0.000 0.292 269 I C -2.000 174.124 176.117 0.011 0.000 0.998 269 I CA -2.453 58.867 61.300 0.034 0.000 1.267 269 I CB 1.270 39.307 38.000 0.062 0.000 1.386 269 I HN 0.439 nan 8.210 nan 0.000 0.476 270 P HA 0.042 nan 4.420 nan 0.000 0.265 270 P C 0.162 177.467 177.300 0.008 0.000 1.193 270 P CA -0.004 63.099 63.100 0.006 0.000 0.765 270 P CB 0.537 32.243 31.700 0.009 0.000 0.823 271 E N 1.773 121.975 120.200 0.003 0.000 2.265 271 E HA -0.198 4.152 4.350 0.000 0.000 0.196 271 E C 1.658 178.265 176.600 0.012 0.000 0.996 271 E CA 0.631 57.035 56.400 0.007 0.000 0.832 271 E CB -0.049 29.652 29.700 0.002 0.000 0.756 271 E HN 0.381 nan 8.360 nan 0.000 0.491 272 K N 1.061 121.467 120.400 0.010 0.000 2.209 272 K HA -0.102 4.218 4.320 0.000 0.000 0.204 272 K C 1.663 178.272 176.600 0.015 0.000 1.048 272 K CA 0.794 57.088 56.287 0.012 0.000 0.940 272 K CB -0.016 32.490 32.500 0.009 0.000 0.729 272 K HN 0.234 nan 8.250 nan 0.000 0.451 273 L N 0.575 121.808 121.223 0.017 0.000 2.599 273 L HA 0.059 4.399 4.340 0.000 0.000 0.230 273 L C 0.648 177.532 176.870 0.023 0.000 1.141 273 L CA 0.162 55.013 54.840 0.019 0.000 0.877 273 L CB 0.149 42.222 42.059 0.022 0.000 1.009 273 L HN -0.013 nan 8.230 nan 0.000 0.447 274 L N 0.401 121.638 121.223 0.024 0.000 2.784 274 L HA 0.183 4.523 4.340 0.000 0.000 0.241 274 L C 0.403 177.290 176.870 0.028 0.000 1.352 274 L CA -0.028 54.829 54.840 0.028 0.000 0.911 274 L CB 0.115 42.191 42.059 0.028 0.000 1.227 274 L HN 0.225 nan 8.230 nan 0.000 0.501 275 N N -1.833 116.883 118.700 0.026 0.000 2.234 275 N HA 0.085 4.825 4.740 0.000 0.000 0.227 275 N C 0.128 175.656 175.510 0.030 0.000 1.151 275 N CA -0.381 52.685 53.050 0.028 0.000 0.865 275 N CB 0.655 39.157 38.487 0.024 0.000 1.066 275 N HN 0.220 nan 8.380 nan 0.000 0.515 276 T N -3.501 111.070 114.554 0.029 0.000 2.926 276 T HA 0.797 5.147 4.350 0.000 0.000 0.289 276 T C 0.616 175.335 174.700 0.032 0.000 1.054 276 T CA -0.333 61.783 62.100 0.027 0.000 1.015 276 T CB 1.483 70.363 68.868 0.020 0.000 1.167 276 T HN 0.358 nan 8.240 nan 0.000 0.526 277 G N 0.904 109.722 108.800 0.030 0.000 2.877 277 G HA2 -0.189 3.771 3.960 0.000 0.000 0.279 277 G HA3 -0.189 3.771 3.960 0.000 0.000 0.279 277 G C 0.887 175.810 174.900 0.038 0.000 1.431 277 G CA 0.495 45.615 45.100 0.034 0.000 0.883 277 G HN 1.894 nan 8.290 nan 0.000 0.547 278 S N -0.906 114.817 115.700 0.039 0.000 2.399 278 S HA -0.075 4.396 4.470 0.000 0.000 0.231 278 S C 2.441 177.063 174.600 0.037 0.000 1.022 278 S CA 2.063 60.285 58.200 0.036 0.000 0.983 278 S CB -0.164 63.056 63.200 0.034 0.000 0.803 278 S HN 1.680 nan 8.310 nan 0.000 0.480 279 L N 2.731 123.978 121.223 0.039 0.000 2.017 279 L HA 0.178 4.518 4.340 0.000 0.000 0.208 279 L C 2.492 179.388 176.870 0.043 0.000 1.073 279 L CA 2.050 56.913 54.840 0.038 0.000 0.745 279 L CB -1.410 40.671 42.059 0.038 0.000 0.894 279 L HN 0.362 nan 8.230 nan 0.000 0.432 280 G N -1.068 107.758 108.800 0.043 0.000 2.442 280 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 280 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 280 G C 1.518 176.452 174.900 0.056 0.000 1.141 280 G CA 0.624 45.751 45.100 0.044 0.000 0.763 280 G HN 0.612 nan 8.290 nan 0.000 0.554 281 G N 0.818 109.652 108.800 0.058 0.000 2.418 281 G HA2 -0.145 3.815 3.960 0.000 0.000 0.217 281 G HA3 -0.145 3.815 3.960 0.000 0.000 0.217 281 G C 1.801 176.764 174.900 0.106 0.000 1.158 281 G CA 0.753 45.897 45.100 0.073 0.000 0.771 281 G HN 0.430 nan 8.290 nan 0.000 0.545 282 L N -0.211 121.065 121.223 0.088 0.000 2.027 282 L HA 0.011 4.351 4.340 0.000 0.000 0.206 282 L C 2.926 179.885 176.870 0.149 0.000 1.074 282 L CA 0.597 55.511 54.840 0.123 0.000 0.745 282 L CB -0.409 41.694 42.059 0.074 0.000 0.898 282 L HN 0.187 nan 8.230 nan 0.000 0.433 283 L N -0.940 120.336 121.223 0.088 0.000 2.056 283 L HA -0.174 4.166 4.340 0.000 0.000 0.207 283 L C 2.600 179.503 176.870 0.054 0.000 1.078 283 L CA 1.414 56.288 54.840 0.057 0.000 0.749 283 L CB -0.799 41.281 42.059 0.036 0.000 0.901 283 L HN 0.250 nan 8.230 nan 0.000 0.433 284 T N -0.260 114.339 114.554 0.074 0.000 2.812 284 T HA -0.182 4.168 4.350 0.000 0.000 0.264 284 T C 1.584 176.333 174.700 0.082 0.000 1.042 284 T CA 1.249 63.387 62.100 0.064 0.000 1.140 284 T CB -0.319 68.593 68.868 0.072 0.000 0.870 284 T HN 0.264 nan 8.240 nan 0.000 0.445 285 F N 2.588 122.542 119.950 0.006 0.000 2.102 285 F HA -0.065 4.462 4.527 -0.001 0.000 0.298 285 F C 2.465 178.264 175.800 -0.002 0.000 1.105 285 F CA 1.375 59.377 58.000 0.003 0.000 1.239 285 F CB -0.305 38.694 39.000 -0.001 0.000 0.991 285 F HN -0.092 nan 8.300 nan 0.000 0.474 286 R N 0.512 120.915 120.500 -0.161 0.000 2.082 286 R HA -0.188 4.152 4.340 0.000 0.000 0.234 286 R C 2.582 178.732 176.300 -0.249 0.000 1.136 286 R CA 2.337 58.270 56.100 -0.279 0.000 0.935 286 R CB -0.739 29.529 30.300 -0.054 0.000 0.842 286 R HN 0.508 nan 8.270 nan 0.000 0.430 287 S N -0.329 115.294 115.700 -0.129 0.000 2.371 287 S HA -0.089 4.381 4.470 0.000 0.000 0.224 287 S C 1.861 176.397 174.600 -0.106 0.000 1.029 287 S CA 0.615 58.756 58.200 -0.097 0.000 0.978 287 S CB -0.010 63.160 63.200 -0.050 0.000 0.833 287 S HN 0.352 nan 8.310 nan 0.000 0.466 288 Q N 0.865 120.605 119.800 -0.101 0.000 2.250 288 Q HA 0.181 4.521 4.340 0.000 0.000 0.200 288 Q C 1.055 176.990 176.000 -0.108 0.000 0.941 288 Q CA 1.102 56.860 55.803 -0.075 0.000 0.872 288 Q CB -0.170 28.554 28.738 -0.025 0.000 0.965 288 Q HN 0.658 nan 8.270 nan 0.000 0.480 289 D N -0.436 119.836 120.400 -0.212 0.000 2.856 289 D HA 0.053 4.693 4.640 0.000 0.000 0.283 289 D C 1.952 178.044 176.300 -0.347 0.000 1.051 289 D CA -0.149 53.712 54.000 -0.231 0.000 0.965 289 D CB 0.124 40.830 40.800 -0.157 0.000 1.201 289 D HN 0.033 nan 8.370 nan 0.000 0.474 290 L N 1.386 122.196 121.223 -0.688 0.000 2.005 290 L HA -0.161 4.179 4.340 0.000 0.000 0.207 290 L C 1.738 178.463 176.870 -0.242 0.000 1.072 290 L CA 1.566 56.092 54.840 -0.522 0.000 0.744 290 L CB -0.074 41.566 42.059 -0.700 0.000 0.895 290 L HN -0.100 nan 8.230 nan 0.000 0.433 291 D N -0.707 119.563 120.400 -0.217 0.000 2.117 291 D HA -0.252 4.388 4.640 0.000 0.000 0.197 291 D C 2.049 178.297 176.300 -0.086 0.000 0.987 291 D CA 1.121 55.050 54.000 -0.118 0.000 0.829 291 D CB -0.036 40.704 40.800 -0.099 0.000 0.961 291 D HN 0.248 nan 8.370 nan 0.000 0.460 292 Q N 0.178 119.919 119.800 -0.098 0.000 2.119 292 Q HA -0.073 4.267 4.340 0.000 0.000 0.201 292 Q C 1.895 177.872 176.000 -0.038 0.000 0.972 292 Q CA 1.616 57.383 55.803 -0.061 0.000 0.847 292 Q CB -0.460 28.244 28.738 -0.057 0.000 0.903 292 Q HN 0.131 nan 8.270 nan 0.000 0.433 293 T N 0.197 114.722 114.554 -0.048 0.000 2.737 293 T HA -0.094 4.256 4.350 0.000 0.000 0.265 293 T C 1.664 176.373 174.700 0.016 0.000 1.038 293 T CA 1.438 63.533 62.100 -0.009 0.000 1.144 293 T CB -0.145 68.722 68.868 -0.002 0.000 0.866 293 T HN 0.330 nan 8.240 nan 0.000 0.434 294 R N 1.139 121.640 120.500 0.001 0.000 2.091 294 R HA -0.041 4.299 4.340 0.000 0.000 0.238 294 R C 2.362 178.678 176.300 0.027 0.000 1.136 294 R CA 1.368 57.481 56.100 0.022 0.000 0.959 294 R CB -0.243 30.061 30.300 0.006 0.000 0.856 294 R HN 0.302 nan 8.270 nan 0.000 0.437 295 N N -0.359 118.348 118.700 0.010 0.000 2.216 295 N HA -0.084 4.657 4.740 0.000 0.000 0.183 295 N C 1.615 177.145 175.510 0.034 0.000 1.017 295 N CA 1.430 54.490 53.050 0.016 0.000 0.861 295 N CB -0.352 38.132 38.487 -0.004 0.000 0.986 295 N HN 0.145 nan 8.380 nan 0.000 0.428 296 T N 1.440 116.015 114.554 0.035 0.000 2.777 296 T HA -0.056 4.294 4.350 0.000 0.000 0.266 296 T C 1.941 176.698 174.700 0.095 0.000 1.040 296 T CA 0.461 62.595 62.100 0.055 0.000 1.141 296 T CB -0.219 68.672 68.868 0.039 0.000 0.868 296 T HN 0.066 nan 8.240 nan 0.000 0.444 297 L N 1.265 122.551 121.223 0.106 0.000 2.056 297 L HA 0.152 4.492 4.340 0.000 0.000 0.207 297 L C 2.539 179.481 176.870 0.121 0.000 1.078 297 L CA 1.793 56.734 54.840 0.167 0.000 0.749 297 L CB -1.042 41.123 42.059 0.177 0.000 0.901 297 L HN 0.283 nan 8.230 nan 0.000 0.433 298 G N -1.543 107.293 108.800 0.059 0.000 2.408 298 G HA2 -0.302 3.658 3.960 0.000 0.000 0.217 298 G HA3 -0.302 3.658 3.960 0.000 0.000 0.217 298 G C 1.479 176.376 174.900 -0.006 0.000 1.150 298 G CA 0.697 45.798 45.100 0.002 0.000 0.776 298 G HN 0.510 nan 8.290 nan 0.000 0.542 299 Q N -0.459 119.365 119.800 0.040 0.000 2.061 299 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 299 Q C 2.487 178.536 176.000 0.081 0.000 0.984 299 Q CA 1.503 57.343 55.803 0.060 0.000 0.846 299 Q CB -0.242 28.542 28.738 0.077 0.000 0.902 299 Q HN 0.405 nan 8.270 nan 0.000 0.421 300 L N 0.797 122.092 121.223 0.120 0.000 1.989 300 L HA -0.149 4.191 4.340 0.000 0.000 0.211 300 L C 2.276 179.189 176.870 0.071 0.000 1.071 300 L CA 2.464 57.422 54.840 0.196 0.000 0.749 300 L CB -1.040 41.202 42.059 0.306 0.000 0.890 300 L HN 0.243 nan 8.230 nan 0.000 0.431 301 A N -0.362 122.328 122.820 -0.216 0.000 1.883 301 A HA -0.217 4.103 4.320 0.000 0.000 0.217 301 A C 2.364 179.767 177.584 -0.302 0.000 1.186 301 A CA 2.106 53.712 52.037 -0.718 0.000 0.624 301 A CB -1.113 17.265 19.000 -1.037 0.000 0.822 301 A HN 0.559 nan 8.150 nan 0.000 0.444 302 L N -0.723 120.411 121.223 -0.149 0.000 2.017 302 L HA -0.154 4.186 4.340 0.000 0.000 0.208 302 L C 2.791 179.666 176.870 0.008 0.000 1.073 302 L CA 2.066 56.866 54.840 -0.067 0.000 0.745 302 L CB -0.928 41.116 42.059 -0.025 0.000 0.894 302 L HN 0.431 nan 8.230 nan 0.000 0.432 303 A N -0.363 122.508 122.820 0.085 0.000 1.902 303 A HA -0.299 4.022 4.320 0.000 0.000 0.217 303 A C 2.111 179.848 177.584 0.255 0.000 1.181 303 A CA 1.717 53.863 52.037 0.181 0.000 0.623 303 A CB -0.941 18.207 19.000 0.247 0.000 0.818 303 A HN 0.554 nan 8.150 nan 0.000 0.443 304 F N 1.014 120.979 119.950 0.024 0.000 2.051 304 F HA -0.039 4.487 4.527 -0.002 0.000 0.296 304 F C 2.523 178.201 175.800 -0.203 0.000 1.122 304 F CA 1.406 59.254 58.000 -0.253 0.000 1.201 304 F CB -0.659 37.962 39.000 -0.631 0.000 0.978 304 F HN 0.249 nan 8.300 nan 0.000 0.472 305 A N 0.327 122.963 122.820 -0.308 0.000 1.851 305 A HA -0.227 4.093 4.320 0.000 0.000 0.216 305 A C 1.991 179.522 177.584 -0.088 0.000 1.195 305 A CA 2.172 53.999 52.037 -0.350 0.000 0.622 305 A CB -1.280 17.607 19.000 -0.189 0.000 0.831 305 A HN 0.495 nan 8.150 nan 0.000 0.444 306 D N -0.115 120.273 120.400 -0.019 0.000 2.123 306 D HA -0.058 4.583 4.640 0.000 0.000 0.196 306 D C 2.236 178.571 176.300 0.059 0.000 0.992 306 D CA 1.630 55.653 54.000 0.039 0.000 0.833 306 D CB -0.478 40.345 40.800 0.038 0.000 0.954 306 D HN 0.428 nan 8.370 nan 0.000 0.455 307 A N 0.114 122.980 122.820 0.077 0.000 1.877 307 A HA -0.164 4.156 4.320 0.000 0.000 0.216 307 A C 2.162 179.804 177.584 0.096 0.000 1.186 307 A CA 1.008 53.116 52.037 0.119 0.000 0.620 307 A CB -1.068 18.077 19.000 0.242 0.000 0.822 307 A HN 0.247 nan 8.150 nan 0.000 0.443 308 F N 1.191 121.072 119.950 -0.115 0.000 2.134 308 F HA -0.207 4.322 4.527 0.003 0.000 0.299 308 F C 2.138 177.965 175.800 0.045 0.000 1.097 308 F CA 1.980 59.922 58.000 -0.097 0.000 1.264 308 F CB -0.139 38.637 39.000 -0.375 0.000 1.001 308 F HN 0.209 nan 8.300 nan 0.000 0.479 309 N N 0.600 119.447 118.700 0.246 0.000 2.084 309 N HA -0.157 4.583 4.740 0.000 0.000 0.190 309 N C 1.997 177.576 175.510 0.114 0.000 1.030 309 N CA 1.528 54.714 53.050 0.226 0.000 0.849 309 N CB -0.909 37.695 38.487 0.195 0.000 1.012 309 N HN 0.380 nan 8.380 nan 0.000 0.423 310 A N 0.551 123.407 122.820 0.061 0.000 1.902 310 A HA -0.192 4.128 4.320 0.000 0.000 0.217 310 A C 2.217 179.792 177.584 -0.014 0.000 1.181 310 A CA 1.691 53.742 52.037 0.023 0.000 0.623 310 A CB -0.645 18.367 19.000 0.020 0.000 0.818 310 A HN 0.271 nan 8.150 nan 0.000 0.443 311 Q N -0.957 118.816 119.800 -0.046 0.000 2.172 311 Q HA -0.155 4.185 4.340 0.000 0.000 0.200 311 Q C 1.900 177.827 176.000 -0.121 0.000 0.964 311 Q CA 1.865 57.611 55.803 -0.095 0.000 0.855 311 Q CB -0.530 28.129 28.738 -0.132 0.000 0.918 311 Q HN 0.840 nan 8.270 nan 0.000 0.444 312 H N -0.884 118.056 119.070 -0.218 0.000 2.395 312 H HA -0.051 4.506 4.556 0.002 0.000 0.299 312 H C 1.222 176.492 175.328 -0.098 0.000 1.070 312 H CA 1.822 57.773 56.048 -0.162 0.000 1.356 312 H CB 0.254 29.985 29.762 -0.052 0.000 1.401 312 H HN 0.481 nan 8.280 nan 0.000 0.524 313 T N -1.678 112.852 114.554 -0.039 0.000 3.163 313 T HA 0.018 4.369 4.350 0.000 0.000 0.260 313 T C 1.503 176.078 174.700 -0.209 0.000 1.156 313 T CA 0.405 62.437 62.100 -0.113 0.000 1.072 313 T CB -0.087 68.763 68.868 -0.030 0.000 0.937 313 T HN 0.263 nan 8.240 nan 0.000 0.528 314 K N 0.653 120.930 120.400 -0.205 0.000 2.404 314 K HA 0.305 4.625 4.320 0.000 0.000 0.194 314 K C 1.279 177.692 176.600 -0.311 0.000 1.023 314 K CA -0.090 56.072 56.287 -0.208 0.000 1.094 314 K CB 0.476 32.908 32.500 -0.112 0.000 0.841 314 K HN 0.472 nan 8.250 nan 0.000 0.523 315 G N -0.222 108.336 108.800 -0.403 0.000 2.753 315 G HA2 0.458 4.418 3.960 0.000 0.000 0.285 315 G HA3 0.458 4.418 3.960 0.000 0.000 0.285 315 G C -1.300 173.185 174.900 -0.691 0.000 1.344 315 G CA -0.472 44.391 45.100 -0.394 0.000 1.050 315 G HN 0.003 nan 8.290 nan 0.000 0.532 316 Y N -0.760 119.476 120.300 -0.107 0.000 2.477 316 Y HA 0.318 4.868 4.550 0.000 0.000 0.347 316 Y C 0.393 176.255 175.900 -0.063 0.000 0.981 316 Y CA -0.823 57.231 58.100 -0.077 0.000 1.033 316 Y CB 1.855 40.286 38.460 -0.047 0.000 1.245 316 Y HN 0.423 nan 8.280 nan 0.000 0.455 317 D N 0.712 121.166 120.400 0.091 0.000 2.079 317 D HA 0.004 4.644 4.640 0.000 0.000 0.236 317 D C 0.949 177.291 176.300 0.070 0.000 1.333 317 D CA 0.961 55.000 54.000 0.065 0.000 0.934 317 D CB 0.523 41.360 40.800 0.062 0.000 1.380 317 D HN 0.704 nan 8.370 nan 0.000 0.541 318 A N -0.233 122.620 122.820 0.056 0.000 2.195 318 A HA 0.002 4.322 4.320 0.000 0.000 0.210 318 A C 1.036 178.641 177.584 0.035 0.000 1.165 318 A CA 0.531 52.595 52.037 0.044 0.000 0.806 318 A CB 0.187 19.210 19.000 0.040 0.000 0.847 318 A HN 0.338 nan 8.150 nan 0.000 0.482 319 D N -1.089 119.335 120.400 0.039 0.000 2.398 319 D HA 0.241 4.881 4.640 0.000 0.000 0.210 319 D C 1.212 177.533 176.300 0.035 0.000 1.094 319 D CA 0.956 54.974 54.000 0.030 0.000 0.839 319 D CB 0.525 41.340 40.800 0.026 0.000 0.963 319 D HN 0.522 nan 8.370 nan 0.000 0.506 320 G N 1.413 110.248 108.800 0.059 0.000 2.141 320 G HA2 -0.236 3.724 3.960 0.000 0.000 0.242 320 G HA3 -0.236 3.724 3.960 0.000 0.000 0.242 320 G C 0.191 175.181 174.900 0.150 0.000 0.982 320 G CA -0.386 44.754 45.100 0.067 0.000 0.662 320 G HN 0.167 nan 8.290 nan 0.000 0.527 321 N N 0.154 118.942 118.700 0.146 0.000 2.515 321 N HA 0.457 5.197 4.740 0.000 0.000 0.279 321 N C 0.318 175.925 175.510 0.162 0.000 1.164 321 N CA -0.436 52.703 53.050 0.148 0.000 0.982 321 N CB 1.134 39.661 38.487 0.066 0.000 1.170 321 N HN 0.251 nan 8.380 nan 0.000 0.474 322 K N 0.305 120.755 120.400 0.084 0.000 2.412 322 K HA 0.199 4.519 4.320 0.000 0.000 0.281 322 K C 0.502 176.991 176.600 -0.185 0.000 1.027 322 K CA -0.180 55.984 56.287 -0.204 0.000 0.989 322 K CB -0.025 32.383 32.500 -0.154 0.000 0.935 322 K HN 0.604 nan 8.250 nan 0.000 0.475 323 G N 3.935 112.549 108.800 -0.311 0.000 2.391 323 G HA2 0.004 3.964 3.960 0.000 0.000 0.234 323 G HA3 0.004 3.964 3.960 0.000 0.000 0.234 323 G C -0.549 174.311 174.900 -0.066 0.000 1.284 323 G CA -0.282 44.668 45.100 -0.250 0.000 0.873 323 G HN 0.631 nan 8.290 nan 0.000 0.549 324 K N 0.761 121.214 120.400 0.089 0.000 2.267 324 K HA 0.241 4.561 4.320 0.000 0.000 0.236 324 K C -0.604 176.113 176.600 0.195 0.000 1.030 324 K CA -0.956 55.387 56.287 0.094 0.000 0.930 324 K CB 0.982 33.503 32.500 0.034 0.000 1.182 324 K HN 0.349 nan 8.250 nan 0.000 0.474 325 D N 1.009 121.473 120.400 0.107 0.000 2.493 325 D HA -0.046 4.594 4.640 0.000 0.000 0.240 325 D C 0.278 176.615 176.300 0.062 0.000 1.142 325 D CA 0.427 54.502 54.000 0.125 0.000 0.872 325 D CB 0.358 41.207 40.800 0.082 0.000 1.173 325 D HN 0.385 nan 8.370 nan 0.000 0.467 326 F N 1.710 121.600 119.950 -0.100 0.000 2.270 326 F HA 0.116 4.642 4.527 -0.000 0.000 0.295 326 F C 0.378 175.846 175.800 -0.553 0.000 1.087 326 F CA 0.623 58.363 58.000 -0.433 0.000 1.365 326 F CB 0.359 38.993 39.000 -0.610 0.000 1.056 326 F HN 0.195 nan 8.300 nan 0.000 0.506 327 F N -0.568 119.485 119.950 0.171 0.000 2.561 327 F HA 0.376 4.902 4.527 -0.002 0.000 0.321 327 F C 0.282 176.094 175.800 0.020 0.000 1.065 327 F CA -1.089 56.953 58.000 0.071 0.000 0.934 327 F CB 1.416 40.436 39.000 0.033 0.000 1.215 327 F HN -0.309 nan 8.300 nan 0.000 0.471 328 S N 1.721 117.539 115.700 0.198 0.000 2.651 328 S HA 0.857 5.327 4.470 0.000 0.000 0.291 328 S C -1.117 173.531 174.600 0.079 0.000 1.141 328 S CA -0.561 57.700 58.200 0.102 0.000 1.027 328 S CB 2.029 65.259 63.200 0.051 0.000 1.043 328 S HN 0.588 nan 8.310 nan 0.000 0.530 329 I N 0.462 121.052 120.570 0.032 0.000 2.827 329 I HA 0.634 4.804 4.170 0.000 0.000 0.298 329 I C 0.270 176.379 176.117 -0.013 0.000 1.235 329 I CA -0.154 61.140 61.300 -0.011 0.000 1.021 329 I CB 1.854 39.835 38.000 -0.032 0.000 1.259 329 I HN 1.000 nan 8.210 nan 0.000 0.427 330 G N 3.685 112.470 108.800 -0.025 0.000 2.544 330 G HA2 0.452 4.412 3.960 0.000 0.000 0.242 330 G HA3 0.452 4.412 3.960 0.000 0.000 0.242 330 G C -0.541 174.347 174.900 -0.019 0.000 1.247 330 G CA -0.240 44.849 45.100 -0.018 0.000 0.840 330 G HN 0.622 nan 8.290 nan 0.000 0.578 331 S N 1.555 117.243 115.700 -0.019 0.000 2.687 331 S HA 0.547 5.017 4.470 0.000 0.000 0.283 331 S C -2.210 172.374 174.600 -0.027 0.000 1.170 331 S CA -0.834 57.352 58.200 -0.024 0.000 1.008 331 S CB 1.582 64.764 63.200 -0.030 0.000 1.026 331 S HN 0.449 nan 8.310 nan 0.000 0.541 332 P HA 0.243 nan 4.420 nan 0.000 0.269 332 P C -1.064 176.195 177.300 -0.067 0.000 1.215 332 P CA -0.237 62.846 63.100 -0.029 0.000 0.780 332 P CB 0.437 32.120 31.700 -0.028 0.000 0.898 333 V N 2.994 122.853 119.914 -0.091 0.000 2.823 333 V HA 0.549 4.669 4.120 0.000 0.000 0.312 333 V C -1.125 174.822 176.094 -0.244 0.000 1.072 333 V CA -0.776 61.397 62.300 -0.211 0.000 0.937 333 V CB 2.391 34.046 31.823 -0.281 0.000 1.013 333 V HN 0.181 nan 8.190 nan 0.000 0.430 334 V N 6.557 126.290 119.914 -0.302 0.000 2.531 334 V HA 0.526 4.646 4.120 0.000 0.000 0.301 334 V C -1.296 174.684 176.094 -0.191 0.000 1.034 334 V CA -0.684 61.522 62.300 -0.156 0.000 0.865 334 V CB 1.694 33.490 31.823 -0.046 0.000 0.995 334 V HN 0.830 nan 8.190 nan 0.000 0.424 335 Y N 1.342 121.719 120.300 0.128 0.000 2.360 335 Y HA 0.473 5.023 4.550 -0.000 0.000 0.337 335 Y C 0.912 176.904 175.900 0.152 0.000 1.039 335 Y CA -0.409 57.756 58.100 0.109 0.000 1.109 335 Y CB 2.000 40.496 38.460 0.060 0.000 1.201 335 Y HN 0.575 nan 8.280 nan 0.000 0.458 336 S N 3.350 119.217 115.700 0.278 0.000 2.499 336 S HA 0.028 4.498 4.470 0.000 0.000 0.275 336 S C 0.027 174.618 174.600 -0.014 0.000 1.257 336 S CA -0.834 57.444 58.200 0.129 0.000 1.050 336 S CB 0.108 63.408 63.200 0.167 0.000 0.937 336 S HN 0.588 nan 8.310 nan 0.000 0.490 337 N N 2.167 120.757 118.700 -0.184 0.000 2.412 337 N HA -0.066 4.675 4.740 0.000 0.000 0.258 337 N C 1.293 176.743 175.510 -0.100 0.000 1.236 337 N CA 0.179 53.148 53.050 -0.135 0.000 0.882 337 N CB 0.758 39.131 38.487 -0.190 0.000 1.066 337 N HN 0.694 nan 8.380 nan 0.000 0.465 338 S N 2.694 118.357 115.700 -0.061 0.000 2.500 338 S HA -0.108 4.362 4.470 0.000 0.000 0.239 338 S C 0.935 175.503 174.600 -0.053 0.000 0.989 338 S CA 0.913 59.086 58.200 -0.046 0.000 0.951 338 S CB -0.306 62.869 63.200 -0.041 0.000 0.759 338 S HN 0.697 nan 8.310 nan 0.000 0.523 339 N N 1.554 120.212 118.700 -0.069 0.000 2.398 339 N HA 0.153 4.893 4.740 0.000 0.000 0.188 339 N C -0.463 175.007 175.510 -0.066 0.000 1.122 339 N CA -0.198 52.814 53.050 -0.063 0.000 0.866 339 N CB -0.041 38.407 38.487 -0.064 0.000 0.970 339 N HN 0.301 nan 8.380 nan 0.000 0.462 340 N N 0.779 119.429 118.700 -0.085 0.000 2.441 340 N HA 0.034 4.775 4.740 0.000 0.000 0.251 340 N C 0.991 176.486 175.510 -0.025 0.000 1.242 340 N CA -0.019 52.984 53.050 -0.079 0.000 0.898 340 N CB 0.675 39.087 38.487 -0.125 0.000 1.100 340 N HN 0.089 nan 8.380 nan 0.000 0.443 341 A N 0.909 123.728 122.820 -0.002 0.000 1.908 341 A HA -0.136 4.184 4.320 0.000 0.000 0.218 341 A C 0.585 178.185 177.584 0.026 0.000 1.181 341 A CA 1.543 53.588 52.037 0.014 0.000 0.627 341 A CB -0.109 18.908 19.000 0.028 0.000 0.818 341 A HN 0.674 nan 8.150 nan 0.000 0.445 342 D N -1.627 118.800 120.400 0.045 0.000 2.549 342 D HA 0.355 4.995 4.640 0.000 0.000 0.251 342 D C 0.330 176.667 176.300 0.062 0.000 1.153 342 D CA -0.475 53.557 54.000 0.053 0.000 0.861 342 D CB 1.096 41.936 40.800 0.067 0.000 1.207 342 D HN 0.124 nan 8.370 nan 0.000 0.543 343 K N 0.976 121.404 120.400 0.046 0.000 2.442 343 K HA -0.051 4.270 4.320 0.000 0.000 0.198 343 K C 1.521 178.160 176.600 0.066 0.000 1.042 343 K CA 1.231 57.548 56.287 0.050 0.000 0.958 343 K CB 0.113 32.633 32.500 0.034 0.000 0.766 343 K HN 0.508 nan 8.250 nan 0.000 0.474 344 T N -2.252 112.340 114.554 0.064 0.000 3.100 344 T HA 0.083 4.433 4.350 0.000 0.000 0.253 344 T C 0.683 175.431 174.700 0.081 0.000 1.118 344 T CA -0.289 61.848 62.100 0.061 0.000 1.058 344 T CB 0.004 68.898 68.868 0.044 0.000 0.953 344 T HN -0.219 nan 8.240 nan 0.000 0.515 345 V N 2.264 122.251 119.914 0.122 0.000 2.455 345 V HA 0.498 4.618 4.120 0.000 0.000 0.273 345 V C 0.148 176.377 176.094 0.226 0.000 1.045 345 V CA -0.304 62.095 62.300 0.164 0.000 0.976 345 V CB 0.866 32.826 31.823 0.229 0.000 0.993 345 V HN 0.418 nan 8.190 nan 0.000 0.475 346 S N 4.648 120.417 115.700 0.114 0.000 2.569 346 S HA 0.816 5.287 4.470 0.000 0.000 0.280 346 S C -1.118 173.421 174.600 -0.102 0.000 1.111 346 S CA -0.524 57.722 58.200 0.077 0.000 0.887 346 S CB 1.900 65.122 63.200 0.037 0.000 1.095 346 S HN 0.412 nan 8.310 nan 0.000 0.476 347 L N 2.232 123.356 121.223 -0.165 0.000 2.362 347 L HA 0.727 5.067 4.340 0.000 0.000 0.271 347 L C 0.304 177.063 176.870 -0.185 0.000 1.002 347 L CA -0.113 54.548 54.840 -0.299 0.000 0.818 347 L CB 2.031 43.788 42.059 -0.504 0.000 1.298 347 L HN 0.888 nan 8.230 nan 0.000 0.420 348 T N -0.277 114.163 114.554 -0.190 0.000 2.916 348 T HA 0.995 5.345 4.350 0.000 0.000 0.292 348 T C -0.783 173.825 174.700 -0.154 0.000 1.064 348 T CA -0.726 61.287 62.100 -0.145 0.000 1.011 348 T CB 2.132 70.931 68.868 -0.116 0.000 1.152 348 T HN 0.821 nan 8.240 nan 0.000 0.510 349 A N 1.240 123.987 122.820 -0.122 0.000 2.520 349 A HA 0.800 5.120 4.320 0.000 0.000 0.298 349 A C -1.063 176.469 177.584 -0.086 0.000 1.051 349 A CA -0.995 50.973 52.037 -0.115 0.000 0.690 349 A CB 1.501 20.437 19.000 -0.108 0.000 1.281 349 A HN 0.810 nan 8.150 nan 0.000 0.402 350 K N 1.089 121.440 120.400 -0.081 0.000 2.464 350 K HA 0.553 4.873 4.320 0.000 0.000 0.253 350 K C -1.194 175.377 176.600 -0.050 0.000 0.933 350 K CA -0.802 55.450 56.287 -0.059 0.000 0.801 350 K CB 2.619 35.084 32.500 -0.057 0.000 1.271 350 K HN 0.437 nan 8.250 nan 0.000 0.430 351 V N 3.150 123.045 119.914 -0.032 0.000 2.555 351 V HA 0.016 4.136 4.120 0.000 0.000 0.286 351 V C 1.091 177.172 176.094 -0.021 0.000 1.044 351 V CA 0.019 62.306 62.300 -0.021 0.000 1.026 351 V CB 1.078 32.898 31.823 -0.005 0.000 0.981 351 V HN 0.764 nan 8.190 nan 0.000 0.480 352 V N 0.033 119.934 119.914 -0.023 0.000 3.572 352 V HA 0.439 4.559 4.120 0.000 0.000 0.260 352 V C 0.309 176.396 176.094 -0.010 0.000 1.324 352 V CA 0.430 62.718 62.300 -0.020 0.000 1.068 352 V CB 0.752 32.556 31.823 -0.031 0.000 0.837 352 V HN 0.760 nan 8.190 nan 0.000 0.450 353 D N 0.850 121.246 120.400 -0.006 0.000 2.336 353 D HA 0.304 4.944 4.640 0.000 0.000 0.248 353 D C 1.098 177.408 176.300 0.016 0.000 1.326 353 D CA 0.611 54.612 54.000 0.003 0.000 0.973 353 D CB 1.746 42.544 40.800 -0.003 0.000 1.255 353 D HN 0.247 nan 8.370 nan 0.000 0.558 354 S N 1.231 116.947 115.700 0.026 0.000 2.442 354 S HA -0.184 4.286 4.470 0.000 0.000 0.236 354 S C 1.749 176.381 174.600 0.053 0.000 1.007 354 S CA 1.535 59.760 58.200 0.041 0.000 0.965 354 S CB -0.600 62.630 63.200 0.050 0.000 0.773 354 S HN 0.504 nan 8.310 nan 0.000 0.504 355 T N -1.173 113.408 114.554 0.045 0.000 3.113 355 T HA 0.192 4.542 4.350 0.000 0.000 0.263 355 T C 1.395 176.117 174.700 0.036 0.000 1.143 355 T CA 0.523 62.649 62.100 0.044 0.000 1.090 355 T CB -0.283 68.603 68.868 0.030 0.000 0.922 355 T HN 0.463 nan 8.240 nan 0.000 0.521 356 K N 0.455 120.874 120.400 0.032 0.000 2.354 356 K HA 0.278 4.598 4.320 0.000 0.000 0.194 356 K C 0.046 176.677 176.600 0.051 0.000 1.045 356 K CA -0.137 56.167 56.287 0.028 0.000 1.026 356 K CB 0.620 33.126 32.500 0.008 0.000 0.866 356 K HN 0.214 nan 8.250 nan 0.000 0.530 357 V N 3.333 123.283 119.914 0.060 0.000 2.540 357 V HA -0.065 4.055 4.120 0.000 0.000 0.297 357 V C 0.311 176.467 176.094 0.103 0.000 1.024 357 V CA 0.539 62.892 62.300 0.089 0.000 1.105 357 V CB 0.621 32.489 31.823 0.075 0.000 0.938 357 V HN 0.243 nan 8.190 nan 0.000 0.482 358 Q N 2.759 122.646 119.800 0.146 0.000 2.214 358 Q HA 0.634 4.974 4.340 0.000 0.000 0.251 358 Q C 0.113 176.161 176.000 0.081 0.000 0.936 358 Q CA -0.717 55.154 55.803 0.114 0.000 0.894 358 Q CB 1.654 30.472 28.738 0.133 0.000 1.252 358 Q HN 0.839 nan 8.270 nan 0.000 0.448 359 A N 1.881 124.728 122.820 0.044 0.000 2.990 359 A HA 0.334 4.655 4.320 0.000 0.000 0.282 359 A C -0.170 177.396 177.584 -0.029 0.000 1.688 359 A CA 0.353 52.403 52.037 0.020 0.000 1.391 359 A CB -0.344 18.670 19.000 0.025 0.000 1.112 359 A HN 0.528 nan 8.150 nan 0.000 0.588 360 T N -0.022 114.488 114.554 -0.072 0.000 2.786 360 T HA 0.421 4.771 4.350 0.000 0.000 0.316 360 T C -1.727 172.824 174.700 -0.248 0.000 1.503 360 T CA -0.695 61.292 62.100 -0.188 0.000 1.019 360 T CB 1.157 69.846 68.868 -0.298 0.000 1.415 360 T HN 0.366 nan 8.240 nan 0.000 0.496 361 D N 0.384 120.631 120.400 -0.256 0.000 2.440 361 D HA 0.561 5.201 4.640 0.000 0.000 0.258 361 D C -1.096 174.963 176.300 -0.401 0.000 1.092 361 D CA 0.138 54.034 54.000 -0.173 0.000 1.016 361 D CB 0.722 41.510 40.800 -0.021 0.000 1.141 361 D HN 0.496 nan 8.370 nan 0.000 0.552 362 Y N -0.226 120.113 120.300 0.064 0.000 2.386 362 Y HA 0.231 4.781 4.550 -0.000 0.000 0.334 362 Y C 0.306 176.246 175.900 0.066 0.000 1.002 362 Y CA -0.897 57.237 58.100 0.057 0.000 1.068 362 Y CB 1.748 40.242 38.460 0.057 0.000 1.203 362 Y HN -0.040 nan 8.280 nan 0.000 0.443 363 K N 4.864 125.366 120.400 0.169 0.000 2.258 363 K HA 0.570 4.890 4.320 0.000 0.000 0.284 363 K C -1.262 175.439 176.600 0.169 0.000 1.051 363 K CA -0.150 56.224 56.287 0.146 0.000 0.923 363 K CB 0.425 32.974 32.500 0.082 0.000 1.046 363 K HN 0.790 nan 8.250 nan 0.000 0.474 364 I N 4.856 125.573 120.570 0.245 0.000 2.410 364 I HA 0.229 4.400 4.170 0.000 0.000 0.286 364 I C -0.917 175.465 176.117 0.442 0.000 1.009 364 I CA -1.102 60.385 61.300 0.312 0.000 1.111 364 I CB 1.996 40.188 38.000 0.320 0.000 1.262 364 I HN 0.225 nan 8.210 nan 0.000 0.443 365 V N 6.399 126.516 119.914 0.339 0.000 2.487 365 V HA 0.331 4.451 4.120 0.000 0.000 0.298 365 V C -0.514 175.705 176.094 0.208 0.000 1.028 365 V CA -0.693 61.763 62.300 0.260 0.000 0.860 365 V CB 1.975 33.857 31.823 0.099 0.000 0.991 365 V HN 0.423 nan 8.190 nan 0.000 0.427 366 F N 5.203 125.069 119.950 -0.139 0.000 2.424 366 F HA 0.408 4.935 4.527 0.001 0.000 0.356 366 F C 1.031 176.614 175.800 -0.361 0.000 1.110 366 F CA -1.511 56.097 58.000 -0.654 0.000 1.161 366 F CB 1.204 39.547 39.000 -1.095 0.000 1.115 366 F HN 0.742 nan 8.300 nan 0.000 0.507 367 D N 2.288 122.265 120.400 -0.704 0.000 2.328 367 D HA 0.241 4.882 4.640 0.000 0.000 0.221 367 D C 1.509 177.341 176.300 -0.779 0.000 1.072 367 D CA 0.597 54.259 54.000 -0.562 0.000 0.850 367 D CB 0.097 40.714 40.800 -0.306 0.000 0.922 367 D HN 0.811 nan 8.370 nan 0.000 0.516 368 G N -1.067 106.781 108.800 -1.586 0.000 2.259 368 G HA2 -0.298 3.662 3.960 0.000 0.000 0.217 368 G HA3 -0.298 3.662 3.960 0.000 0.000 0.217 368 G C 1.145 175.497 174.900 -0.913 0.000 1.001 368 G CA 0.458 44.861 45.100 -1.162 0.000 0.627 368 G HN 0.403 nan 8.290 nan 0.000 0.501 369 T N -0.369 113.734 114.554 -0.753 0.000 3.250 369 T HA 0.289 4.639 4.350 0.000 0.000 0.265 369 T C 0.213 174.927 174.700 0.023 0.000 0.973 369 T CA 0.808 62.788 62.100 -0.199 0.000 1.040 369 T CB 0.827 69.623 68.868 -0.122 0.000 1.167 369 T HN 0.412 nan 8.240 nan 0.000 0.471 370 D N -0.680 119.667 120.400 -0.089 0.000 2.493 370 D HA 0.359 4.999 4.640 0.000 0.000 0.239 370 D C -1.471 174.860 176.300 0.052 0.000 1.049 370 D CA -0.554 53.510 54.000 0.107 0.000 1.008 370 D CB 1.791 42.652 40.800 0.103 0.000 1.398 370 D HN 0.166 nan 8.370 nan 0.000 0.513 371 W N 1.310 122.739 121.300 0.215 0.000 2.294 371 W HA 0.241 4.901 4.660 0.001 0.000 0.314 371 W C 0.061 176.621 176.519 0.068 0.000 1.044 371 W CA -0.628 56.833 57.345 0.193 0.000 1.284 371 W CB 1.081 30.611 29.460 0.116 0.000 1.231 371 W HN -0.130 nan 8.180 nan 0.000 0.419 372 Q N 2.851 122.771 119.800 0.199 0.000 2.274 372 Q HA 0.442 4.782 4.340 0.000 0.000 0.256 372 Q C -0.461 175.540 176.000 0.001 0.000 0.927 372 Q CA -0.647 55.192 55.803 0.059 0.000 0.939 372 Q CB 1.838 30.589 28.738 0.022 0.000 1.201 372 Q HN 0.280 nan 8.270 nan 0.000 0.426 373 V N 2.202 121.986 119.914 -0.217 0.000 2.555 373 V HA 0.573 4.693 4.120 0.000 0.000 0.302 373 V C -0.121 175.786 176.094 -0.311 0.000 1.038 373 V CA -0.613 61.479 62.300 -0.346 0.000 0.887 373 V CB 2.171 33.462 31.823 -0.887 0.000 0.991 373 V HN 0.719 nan 8.190 nan 0.000 0.434 374 T N 4.529 119.034 114.554 -0.081 0.000 2.840 374 T HA 0.430 4.780 4.350 0.000 0.000 0.287 374 T C -0.248 174.475 174.700 0.038 0.000 0.991 374 T CA -0.654 61.440 62.100 -0.009 0.000 0.964 374 T CB 0.982 69.854 68.868 0.007 0.000 0.954 374 T HN 0.537 nan 8.240 nan 0.000 0.438 375 R N 2.141 122.667 120.500 0.043 0.000 2.248 375 R HA 0.226 4.566 4.340 0.000 0.000 0.328 375 R C 1.708 177.952 176.300 -0.095 0.000 1.067 375 R CA -0.196 55.847 56.100 -0.095 0.000 0.924 375 R CB 0.499 30.793 30.300 -0.010 0.000 1.013 375 R HN 0.815 nan 8.270 nan 0.000 0.454 376 T N -0.460 114.010 114.554 -0.141 0.000 2.881 376 T HA -0.172 4.178 4.350 0.000 0.000 0.270 376 T C 1.900 176.557 174.700 -0.071 0.000 1.068 376 T CA 1.108 63.159 62.100 -0.082 0.000 1.131 376 T CB 0.035 68.858 68.868 -0.075 0.000 0.871 376 T HN 0.580 nan 8.240 nan 0.000 0.479 377 A N 2.718 125.482 122.820 -0.094 0.000 1.930 377 A HA -0.014 4.306 4.320 0.000 0.000 0.217 377 A C 1.940 179.505 177.584 -0.031 0.000 1.175 377 A CA 1.625 53.625 52.037 -0.062 0.000 0.627 377 A CB -0.347 18.613 19.000 -0.067 0.000 0.815 377 A HN 0.748 nan 8.150 nan 0.000 0.443 378 D N -3.955 116.434 120.400 -0.019 0.000 2.525 378 D HA 0.068 4.708 4.640 0.000 0.000 0.231 378 D C 0.206 176.514 176.300 0.015 0.000 1.216 378 D CA 0.104 54.107 54.000 0.004 0.000 0.813 378 D CB -0.698 40.112 40.800 0.016 0.000 1.108 378 D HN 0.308 nan 8.370 nan 0.000 0.524 379 N N 0.431 119.137 118.700 0.010 0.000 2.800 379 N HA -0.148 4.593 4.740 0.000 0.000 0.250 379 N C -0.393 175.143 175.510 0.044 0.000 1.078 379 N CA 1.349 54.411 53.050 0.020 0.000 0.804 379 N CB -1.817 36.679 38.487 0.016 0.000 1.135 379 N HN 0.605 nan 8.380 nan 0.000 0.565 380 T N -0.890 113.705 114.554 0.069 0.000 2.898 380 T HA 0.466 4.816 4.350 0.000 0.000 0.301 380 T C 0.878 175.664 174.700 0.143 0.000 1.049 380 T CA 0.165 62.333 62.100 0.113 0.000 1.095 380 T CB 2.012 70.967 68.868 0.144 0.000 0.976 380 T HN 0.275 nan 8.240 nan 0.000 0.539 381 T N -0.765 113.885 114.554 0.160 0.000 2.901 381 T HA 0.808 5.158 4.350 0.000 0.000 0.293 381 T C -0.931 173.925 174.700 0.260 0.000 1.084 381 T CA -1.055 61.112 62.100 0.112 0.000 1.008 381 T CB 1.619 70.515 68.868 0.047 0.000 1.170 381 T HN 1.223 nan 8.240 nan 0.000 0.509 382 F N -2.356 117.648 119.950 0.090 0.000 2.769 382 F HA 0.607 5.134 4.527 -0.000 0.000 0.313 382 F C -1.293 174.564 175.800 0.095 0.000 1.146 382 F CA -1.114 56.934 58.000 0.081 0.000 0.934 382 F CB 0.662 39.708 39.000 0.076 0.000 1.283 382 F HN 0.608 nan 8.300 nan 0.000 0.443 383 T N 2.717 117.446 114.554 0.292 0.000 2.733 383 T HA 0.694 5.044 4.350 0.000 0.000 0.294 383 T C 0.283 175.198 174.700 0.358 0.000 0.956 383 T CA 0.031 62.255 62.100 0.206 0.000 0.987 383 T CB 0.924 69.889 68.868 0.160 0.000 0.920 383 T HN 0.935 nan 8.240 nan 0.000 0.470 384 A N 3.820 126.822 122.820 0.304 0.000 2.445 384 A HA 0.538 4.858 4.320 0.000 0.000 0.242 384 A C 1.031 178.753 177.584 0.230 0.000 1.075 384 A CA -0.549 51.702 52.037 0.357 0.000 0.777 384 A CB -0.029 19.108 19.000 0.229 0.000 1.013 384 A HN 0.841 nan 8.150 nan 0.000 0.493 385 T N 0.039 114.690 114.554 0.162 0.000 2.912 385 T HA 0.660 5.010 4.350 0.000 0.000 0.280 385 T C -0.325 174.406 174.700 0.051 0.000 0.989 385 T CA -0.813 61.345 62.100 0.097 0.000 0.995 385 T CB 0.957 69.860 68.868 0.059 0.000 1.077 385 T HN 0.636 nan 8.240 nan 0.000 0.531 386 K N 0.968 121.386 120.400 0.030 0.000 2.328 386 K HA 0.469 4.789 4.320 0.000 0.000 0.246 386 K C -0.572 176.017 176.600 -0.018 0.000 0.955 386 K CA -0.991 55.288 56.287 -0.014 0.000 0.817 386 K CB 1.453 33.944 32.500 -0.014 0.000 1.208 386 K HN 0.831 nan 8.250 nan 0.000 0.432 387 D N 0.593 120.969 120.400 -0.039 0.000 2.376 387 D HA 0.078 4.718 4.640 0.000 0.000 0.268 387 D C 0.916 177.200 176.300 -0.027 0.000 1.252 387 D CA -0.404 53.576 54.000 -0.033 0.000 1.041 387 D CB 0.097 40.871 40.800 -0.044 0.000 1.109 387 D HN 0.447 nan 8.370 nan 0.000 0.552 388 A N -0.912 121.894 122.820 -0.024 0.000 2.067 388 A HA -0.097 4.224 4.320 0.000 0.000 0.219 388 A C 1.235 178.805 177.584 -0.024 0.000 1.158 388 A CA 1.125 53.151 52.037 -0.019 0.000 0.661 388 A CB -0.453 18.537 19.000 -0.016 0.000 0.801 388 A HN 0.492 nan 8.150 nan 0.000 0.452 389 D N -1.171 119.207 120.400 -0.037 0.000 2.340 389 D HA 0.267 4.907 4.640 0.000 0.000 0.217 389 D C 1.281 177.547 176.300 -0.056 0.000 1.081 389 D CA 0.919 54.893 54.000 -0.044 0.000 0.842 389 D CB 0.184 40.954 40.800 -0.051 0.000 0.934 389 D HN 0.533 nan 8.370 nan 0.000 0.511 390 G N 1.486 110.254 108.800 -0.054 0.000 2.143 390 G HA2 -0.312 3.648 3.960 0.000 0.000 0.249 390 G HA3 -0.312 3.648 3.960 0.000 0.000 0.249 390 G C 0.237 175.056 174.900 -0.135 0.000 0.981 390 G CA -0.076 44.983 45.100 -0.069 0.000 0.665 390 G HN 0.298 nan 8.290 nan 0.000 0.528 391 K N 0.391 120.709 120.400 -0.137 0.000 2.234 391 K HA 0.553 4.873 4.320 0.000 0.000 0.282 391 K C 1.065 177.543 176.600 -0.204 0.000 1.039 391 K CA -0.683 55.488 56.287 -0.193 0.000 0.928 391 K CB 1.094 33.500 32.500 -0.156 0.000 1.039 391 K HN 0.260 nan 8.250 nan 0.000 0.470 392 L N 2.713 123.757 121.223 -0.299 0.000 2.485 392 L HA 0.006 4.346 4.340 0.000 0.000 0.275 392 L C 0.283 177.069 176.870 -0.141 0.000 1.207 392 L CA 0.453 55.152 54.840 -0.236 0.000 0.855 392 L CB -0.027 41.835 42.059 -0.330 0.000 1.114 392 L HN 0.521 nan 8.230 nan 0.000 0.485 393 E N 4.538 124.699 120.200 -0.065 0.000 2.073 393 E HA 0.478 4.828 4.350 0.000 0.000 0.269 393 E C -0.843 175.745 176.600 -0.019 0.000 0.917 393 E CA -0.122 56.246 56.400 -0.052 0.000 0.757 393 E CB 1.226 30.903 29.700 -0.038 0.000 1.111 393 E HN 0.417 nan 8.360 nan 0.000 0.410 394 I N 3.011 123.537 120.570 -0.074 0.000 2.439 394 I HA 0.120 4.290 4.170 0.000 0.000 0.283 394 I C -0.729 175.304 176.117 -0.140 0.000 1.023 394 I CA -0.841 60.407 61.300 -0.087 0.000 1.100 394 I CB 1.519 39.365 38.000 -0.258 0.000 1.238 394 I HN 0.383 nan 8.210 nan 0.000 0.445 395 D N 5.960 126.310 120.400 -0.083 0.000 2.894 395 D HA -0.201 4.439 4.640 0.000 0.000 0.216 395 D C 1.237 177.528 176.300 -0.014 0.000 1.245 395 D CA 1.835 55.823 54.000 -0.020 0.000 0.728 395 D CB -0.625 40.248 40.800 0.122 0.000 0.924 395 D HN 1.121 nan 8.370 nan 0.000 0.395 396 G N -0.896 107.884 108.800 -0.033 0.000 2.168 396 G HA2 -0.300 3.660 3.960 0.000 0.000 0.263 396 G HA3 -0.300 3.660 3.960 0.000 0.000 0.263 396 G C 0.252 175.131 174.900 -0.034 0.000 0.977 396 G CA 0.620 45.706 45.100 -0.022 0.000 0.659 396 G HN 0.538 nan 8.290 nan 0.000 0.533 397 L N -1.060 120.124 121.223 -0.065 0.000 2.323 397 L HA 0.745 5.085 4.340 0.000 0.000 0.265 397 L C 0.172 176.982 176.870 -0.100 0.000 1.012 397 L CA -1.094 53.698 54.840 -0.080 0.000 0.820 397 L CB 2.000 43.996 42.059 -0.106 0.000 1.334 397 L HN -0.054 nan 8.230 nan 0.000 0.427 398 K N 1.198 121.537 120.400 -0.101 0.000 2.323 398 K HA 0.668 4.988 4.320 0.000 0.000 0.259 398 K C -1.479 175.030 176.600 -0.151 0.000 0.947 398 K CA -0.663 55.552 56.287 -0.119 0.000 0.819 398 K CB 2.461 34.902 32.500 -0.098 0.000 1.109 398 K HN 0.263 nan 8.250 nan 0.000 0.429 399 V N 2.145 121.939 119.914 -0.201 0.000 2.459 399 V HA 0.279 4.399 4.120 0.000 0.000 0.295 399 V C -0.062 175.851 176.094 -0.301 0.000 1.029 399 V CA -0.861 61.288 62.300 -0.251 0.000 0.874 399 V CB 1.664 33.303 31.823 -0.308 0.000 0.985 399 V HN 0.724 nan 8.190 nan 0.000 0.438 400 T N 3.668 118.060 114.554 -0.270 0.000 2.743 400 T HA 0.276 4.626 4.350 0.000 0.000 0.293 400 T C 0.876 175.362 174.700 -0.357 0.000 0.945 400 T CA -0.026 61.912 62.100 -0.270 0.000 1.030 400 T CB 1.453 70.210 68.868 -0.186 0.000 0.912 400 T HN 0.783 nan 8.240 nan 0.000 0.483 401 V N 1.468 121.125 119.914 -0.427 0.000 3.644 401 V HA 0.491 4.611 4.120 0.000 0.000 0.267 401 V C 1.233 177.162 176.094 -0.275 0.000 1.277 401 V CA 1.060 63.055 62.300 -0.509 0.000 1.096 401 V CB -1.181 30.137 31.823 -0.843 0.000 0.828 401 V HN 1.120 nan 8.190 nan 0.000 0.446 402 G N 1.736 110.419 108.800 -0.196 0.000 2.611 402 G HA2 -0.260 3.700 3.960 0.000 0.000 0.301 402 G HA3 -0.260 3.700 3.960 0.000 0.000 0.301 402 G C 0.331 175.188 174.900 -0.071 0.000 1.233 402 G CA 1.408 46.441 45.100 -0.111 0.000 0.993 402 G HN 1.904 nan 8.290 nan 0.000 0.553 403 T N -3.702 110.832 114.554 -0.034 0.000 2.883 403 T HA 0.757 5.108 4.350 0.000 0.000 0.301 403 T C 0.968 175.683 174.700 0.026 0.000 1.158 403 T CA 0.816 62.914 62.100 -0.002 0.000 1.007 403 T CB 1.591 70.462 68.868 0.005 0.000 1.186 403 T HN 2.777 nan 8.240 nan 0.000 0.499 404 G N 0.393 109.221 108.800 0.046 0.000 2.253 404 G HA2 0.177 4.137 3.960 0.000 0.000 0.209 404 G HA3 0.177 4.137 3.960 0.000 0.000 0.209 404 G C 0.498 175.467 174.900 0.116 0.000 0.997 404 G CA -0.073 45.072 45.100 0.075 0.000 0.640 404 G HN 1.664 nan 8.290 nan 0.000 0.496 405 A N 0.435 123.323 122.820 0.113 0.000 2.565 405 A HA 0.536 4.856 4.320 0.000 0.000 0.237 405 A C 0.512 178.264 177.584 0.281 0.000 1.053 405 A CA 1.018 53.166 52.037 0.185 0.000 0.755 405 A CB 0.149 19.146 19.000 -0.005 0.000 0.980 405 A HN 0.585 nan 8.150 nan 0.000 0.506 406 Q N 0.618 120.600 119.800 0.304 0.000 2.351 406 Q HA 0.341 4.681 4.340 0.000 0.000 0.273 406 Q C -0.323 175.768 176.000 0.152 0.000 1.077 406 Q CA -1.006 54.933 55.803 0.227 0.000 0.843 406 Q CB 1.814 30.616 28.738 0.106 0.000 1.367 406 Q HN 0.764 nan 8.270 nan 0.000 0.449 407 K N 1.340 121.700 120.400 -0.067 0.000 2.550 407 K HA -0.171 4.149 4.320 0.000 0.000 0.280 407 K C -0.208 176.328 176.600 -0.106 0.000 0.987 407 K CA 0.681 56.830 56.287 -0.229 0.000 1.048 407 K CB 0.184 32.547 32.500 -0.229 0.000 0.879 407 K HN 0.647 nan 8.250 nan 0.000 0.491 408 N N 1.067 119.694 118.700 -0.121 0.000 2.972 408 N HA -0.192 4.548 4.740 0.000 0.000 0.225 408 N C -0.988 174.501 175.510 -0.035 0.000 0.883 408 N CA 1.246 54.255 53.050 -0.067 0.000 1.010 408 N CB -1.039 37.410 38.487 -0.063 0.000 1.052 408 N HN 0.661 nan 8.380 nan 0.000 0.598 409 D N 0.755 121.165 120.400 0.016 0.000 2.443 409 D HA 0.265 4.905 4.640 0.000 0.000 0.239 409 D C 0.404 176.632 176.300 -0.120 0.000 1.136 409 D CA 0.705 54.681 54.000 -0.040 0.000 0.879 409 D CB 0.927 41.805 40.800 0.130 0.000 1.195 409 D HN 0.173 nan 8.370 nan 0.000 0.443 410 S N 1.103 116.529 115.700 -0.457 0.000 2.568 410 S HA 0.783 5.253 4.470 0.000 0.000 0.293 410 S C -1.532 172.580 174.600 -0.813 0.000 1.089 410 S CA -0.673 57.327 58.200 -0.334 0.000 0.945 410 S CB 0.491 63.615 63.200 -0.127 0.000 1.077 410 S HN 0.260 nan 8.310 nan 0.000 0.485 411 F N 1.857 121.895 119.950 0.146 0.000 2.601 411 F HA 0.596 5.122 4.527 -0.000 0.000 0.309 411 F C -0.907 174.973 175.800 0.132 0.000 1.089 411 F CA -0.896 57.187 58.000 0.138 0.000 0.940 411 F CB 1.795 40.878 39.000 0.139 0.000 1.273 411 F HN 0.423 nan 8.300 nan 0.000 0.450 412 L N 4.391 125.797 121.223 0.306 0.000 2.316 412 L HA 0.679 5.020 4.340 0.000 0.000 0.280 412 L C -1.444 175.574 176.870 0.247 0.000 1.006 412 L CA -0.739 54.252 54.840 0.252 0.000 0.836 412 L CB 1.139 43.340 42.059 0.236 0.000 1.221 412 L HN 0.579 nan 8.230 nan 0.000 0.418 413 L N 5.159 126.518 121.223 0.226 0.000 2.282 413 L HA 0.571 4.911 4.340 0.000 0.000 0.288 413 L C -0.888 176.108 176.870 0.210 0.000 1.033 413 L CA -0.035 54.913 54.840 0.179 0.000 0.807 413 L CB 1.021 43.173 42.059 0.156 0.000 1.209 413 L HN 0.576 nan 8.230 nan 0.000 0.423 414 K N 7.096 127.579 120.400 0.139 0.000 2.464 414 K HA 0.377 4.697 4.320 0.000 0.000 0.252 414 K C -2.083 174.573 176.600 0.094 0.000 1.000 414 K CA -1.533 54.829 56.287 0.125 0.000 0.951 414 K CB 1.498 34.072 32.500 0.123 0.000 1.183 414 K HN 0.447 nan 8.250 nan 0.000 0.445 415 P HA -0.115 nan 4.420 nan 0.000 0.220 415 P C 1.025 178.361 177.300 0.060 0.000 1.152 415 P CA 0.908 64.069 63.100 0.102 0.000 0.812 415 P CB 0.242 32.047 31.700 0.176 0.000 0.792 416 V N -4.284 115.664 119.914 0.057 0.000 3.398 416 V HA 0.217 4.338 4.120 0.000 0.000 0.298 416 V C 2.138 178.245 176.094 0.021 0.000 1.496 416 V CA 0.725 63.043 62.300 0.030 0.000 1.044 416 V CB -0.537 31.305 31.823 0.031 0.000 0.880 416 V HN 0.097 nan 8.190 nan 0.000 0.443 417 S N 1.294 117.015 115.700 0.035 0.000 2.447 417 S HA -0.065 4.406 4.470 0.000 0.000 0.233 417 S C 1.300 175.918 174.600 0.029 0.000 1.006 417 S CA 1.615 59.835 58.200 0.034 0.000 0.957 417 S CB -0.687 62.541 63.200 0.048 0.000 0.773 417 S HN 0.617 nan 8.310 nan 0.000 0.507 418 N N 1.174 119.888 118.700 0.023 0.000 2.235 418 N HA 0.442 5.182 4.740 0.000 0.000 0.209 418 N C 1.389 176.894 175.510 -0.007 0.000 1.122 418 N CA 0.639 53.697 53.050 0.014 0.000 0.845 418 N CB 0.236 38.732 38.487 0.016 0.000 1.004 418 N HN 0.519 nan 8.380 nan 0.000 0.499 419 A N 0.928 123.736 122.820 -0.020 0.000 1.883 419 A HA -0.090 4.230 4.320 0.000 0.000 0.217 419 A C 2.084 179.622 177.584 -0.077 0.000 1.186 419 A CA 1.078 53.084 52.037 -0.051 0.000 0.624 419 A CB -0.411 18.546 19.000 -0.071 0.000 0.822 419 A HN 0.232 nan 8.150 nan 0.000 0.444 420 I N -1.332 119.194 120.570 -0.074 0.000 2.400 420 I HA -0.116 4.054 4.170 0.000 0.000 0.248 420 I C 2.339 178.442 176.117 -0.025 0.000 1.109 420 I CA 0.747 61.999 61.300 -0.080 0.000 1.425 420 I CB -0.160 37.813 38.000 -0.044 0.000 1.094 420 I HN 0.217 nan 8.210 nan 0.000 0.425 421 V N 1.030 120.942 119.914 -0.003 0.000 2.469 421 V HA -0.278 3.842 4.120 0.000 0.000 0.251 421 V C 1.134 177.232 176.094 0.007 0.000 1.064 421 V CA 2.151 64.457 62.300 0.010 0.000 1.066 421 V CB -0.415 31.418 31.823 0.017 0.000 0.667 421 V HN 0.389 nan 8.190 nan 0.000 0.461 422 D N -0.558 119.841 120.400 -0.002 0.000 2.388 422 D HA 0.204 4.844 4.640 0.000 0.000 0.221 422 D C 0.526 176.826 176.300 0.001 0.000 1.133 422 D CA 0.038 54.038 54.000 0.001 0.000 0.831 422 D CB 0.231 41.031 40.800 -0.001 0.000 0.962 422 D HN 0.430 nan 8.370 nan 0.000 0.502 423 M N 1.789 121.383 119.600 -0.009 0.000 2.242 423 M HA 0.159 4.639 4.480 0.000 0.000 0.344 423 M C -0.645 175.682 176.300 0.044 0.000 1.140 423 M CA 0.089 55.386 55.300 -0.005 0.000 1.160 423 M CB 0.445 33.000 32.600 -0.075 0.000 1.491 423 M HN -0.022 nan 8.290 nan 0.000 0.459 424 N N 1.808 120.568 118.700 0.100 0.000 3.348 424 N HA 0.289 5.029 4.740 0.000 0.000 0.233 424 N C -2.134 173.476 175.510 0.166 0.000 1.440 424 N CA -0.962 52.158 53.050 0.116 0.000 0.887 424 N CB 1.045 39.563 38.487 0.052 0.000 1.410 424 N HN 0.307 nan 8.380 nan 0.000 0.502 425 V N 1.353 121.322 119.914 0.091 0.000 2.385 425 V HA 0.299 4.419 4.120 0.000 0.000 0.269 425 V C 1.139 177.145 176.094 -0.147 0.000 1.043 425 V CA -0.319 61.960 62.300 -0.035 0.000 0.906 425 V CB 0.727 32.533 31.823 -0.029 0.000 0.995 425 V HN 0.719 nan 8.190 nan 0.000 0.467 426 K N 3.018 123.274 120.400 -0.240 0.000 2.211 426 K HA 0.145 4.465 4.320 0.000 0.000 0.201 426 K C 0.382 176.772 176.600 -0.349 0.000 1.052 426 K CA 0.510 56.661 56.287 -0.226 0.000 0.973 426 K CB 0.474 32.873 32.500 -0.168 0.000 0.766 426 K HN 0.465 nan 8.250 nan 0.000 0.466 427 V N 2.772 122.286 119.914 -0.666 0.000 2.339 427 V HA 0.016 4.137 4.120 0.000 0.000 0.261 427 V C 0.828 176.587 176.094 -0.558 0.000 1.058 427 V CA 0.256 62.115 62.300 -0.735 0.000 0.897 427 V CB 0.744 31.766 31.823 -1.334 0.000 1.052 427 V HN 0.388 nan 8.190 nan 0.000 0.480 428 T N 0.051 114.432 114.554 -0.289 0.000 3.044 428 T HA 0.143 4.493 4.350 0.000 0.000 0.260 428 T C 0.663 175.301 174.700 -0.105 0.000 1.019 428 T CA -0.255 61.745 62.100 -0.167 0.000 0.921 428 T CB 0.024 68.824 68.868 -0.112 0.000 1.053 428 T HN 0.421 nan 8.240 nan 0.000 0.533 429 N N 1.921 120.555 118.700 -0.109 0.000 2.419 429 N HA 0.145 4.885 4.740 0.000 0.000 0.264 429 N C 0.700 176.191 175.510 -0.031 0.000 1.031 429 N CA -0.004 53.013 53.050 -0.056 0.000 0.951 429 N CB 1.462 39.921 38.487 -0.047 0.000 1.101 429 N HN 0.334 nan 8.380 nan 0.000 0.488 430 E N 2.491 122.688 120.200 -0.005 0.000 2.147 430 E HA -0.229 4.121 4.350 0.000 0.000 0.199 430 E C 1.338 177.960 176.600 0.038 0.000 1.005 430 E CA 1.716 58.130 56.400 0.023 0.000 0.810 430 E CB 0.048 29.762 29.700 0.023 0.000 0.736 430 E HN 0.724 nan 8.360 nan 0.000 0.460 431 A N 0.981 123.816 122.820 0.025 0.000 2.066 431 A HA -0.140 4.180 4.320 0.000 0.000 0.218 431 A C 1.625 179.236 177.584 0.044 0.000 1.157 431 A CA 0.796 52.853 52.037 0.033 0.000 0.670 431 A CB -0.119 18.894 19.000 0.021 0.000 0.804 431 A HN 0.138 nan 8.150 nan 0.000 0.453 432 E N -0.364 119.857 120.200 0.035 0.000 2.502 432 E HA 0.118 4.468 4.350 0.000 0.000 0.194 432 E C -0.455 176.228 176.600 0.138 0.000 1.062 432 E CA -0.232 56.197 56.400 0.048 0.000 0.867 432 E CB -0.005 29.692 29.700 -0.006 0.000 0.888 432 E HN 0.618 nan 8.360 nan 0.000 0.510 433 I N 1.860 122.541 120.570 0.186 0.000 2.436 433 I HA 0.034 4.205 4.170 0.000 0.000 0.289 433 I C 0.465 176.738 176.117 0.261 0.000 1.083 433 I CA -0.413 61.123 61.300 0.393 0.000 1.372 433 I CB 0.912 39.117 38.000 0.342 0.000 1.408 433 I HN -0.043 nan 8.210 nan 0.000 0.516 434 A N 8.168 131.080 122.820 0.152 0.000 2.981 434 A HA 0.220 4.541 4.320 0.000 0.000 0.280 434 A C 1.220 178.770 177.584 -0.058 0.000 1.743 434 A CA -0.300 51.632 52.037 -0.175 0.000 1.430 434 A CB -0.135 18.489 19.000 -0.627 0.000 1.085 434 A HN 0.721 nan 8.150 nan 0.000 0.597 435 M N 0.931 120.551 119.600 0.034 0.000 2.419 435 M HA 0.069 4.550 4.480 0.000 0.000 0.264 435 M C 1.224 177.542 176.300 0.029 0.000 1.082 435 M CA 0.484 55.807 55.300 0.039 0.000 1.119 435 M CB -1.246 31.387 32.600 0.055 0.000 1.398 435 M HN 0.651 nan 8.290 nan 0.000 0.453 436 A N 0.423 123.271 122.820 0.047 0.000 2.327 436 A HA 0.420 4.740 4.320 0.000 0.000 0.283 436 A C 1.190 178.852 177.584 0.131 0.000 1.127 436 A CA -0.059 52.029 52.037 0.084 0.000 0.810 436 A CB 0.350 19.414 19.000 0.106 0.000 1.066 436 A HN 0.464 nan 8.150 nan 0.000 0.492 437 S N 0.811 116.582 115.700 0.118 0.000 2.503 437 S HA 0.148 4.618 4.470 0.000 0.000 0.217 437 S C 0.289 175.028 174.600 0.233 0.000 0.999 437 S CA 0.339 58.623 58.200 0.140 0.000 0.914 437 S CB -0.053 63.186 63.200 0.065 0.000 0.782 437 S HN 0.738 nan 8.310 nan 0.000 0.520 438 E N 1.241 121.520 120.200 0.132 0.000 2.292 438 E HA 0.435 4.785 4.350 0.000 0.000 0.272 438 E C -1.361 175.013 176.600 -0.377 0.000 0.881 438 E CA -0.479 55.853 56.400 -0.114 0.000 0.754 438 E CB 2.061 31.708 29.700 -0.087 0.000 1.201 438 E HN 0.152 nan 8.360 nan 0.000 0.425 439 S N 1.779 116.876 115.700 -1.005 0.000 2.533 439 S HA -0.008 4.462 4.470 0.000 0.000 0.282 439 S C 1.062 175.466 174.600 -0.325 0.000 1.304 439 S CA -0.106 57.612 58.200 -0.802 0.000 1.063 439 S CB 0.432 63.067 63.200 -0.941 0.000 0.881 439 S HN 0.615 nan 8.310 nan 0.000 0.493 440 K N 3.915 124.211 120.400 -0.174 0.000 2.296 440 K HA -0.019 4.301 4.320 0.000 0.000 0.200 440 K C 1.432 177.978 176.600 -0.090 0.000 1.048 440 K CA 0.448 56.675 56.287 -0.101 0.000 0.966 440 K CB -0.250 32.220 32.500 -0.051 0.000 0.754 440 K HN 0.444 nan 8.250 nan 0.000 0.466 441 L N 2.738 123.901 121.223 -0.099 0.000 1.970 441 L HA -0.123 4.217 4.340 0.000 0.000 0.212 441 L C 1.057 177.879 176.870 -0.079 0.000 1.071 441 L CA 1.637 56.434 54.840 -0.073 0.000 0.751 441 L CB -1.006 41.017 42.059 -0.061 0.000 0.889 441 L HN 0.412 nan 8.230 nan 0.000 0.432 442 D N 0.579 120.911 120.400 -0.114 0.000 2.520 442 D HA -0.018 4.622 4.640 0.000 0.000 0.243 442 D C -1.913 174.339 176.300 -0.081 0.000 1.160 442 D CA -0.813 53.127 54.000 -0.100 0.000 0.877 442 D CB 0.936 41.652 40.800 -0.140 0.000 1.150 442 D HN 0.079 nan 8.370 nan 0.000 0.494 451 D N 3.161 123.571 120.400 0.017 0.000 2.339 451 D HA 0.360 5.000 4.640 0.000 0.000 0.241 451 D C 0.438 176.754 176.300 0.027 0.000 1.183 451 D CA -0.090 53.922 54.000 0.020 0.000 0.859 451 D CB 0.676 41.489 40.800 0.021 0.000 1.067 451 D HN 0.461 nan 8.370 nan 0.000 0.484 452 N N 3.236 121.951 118.700 0.024 0.000 2.282 452 N HA 0.059 4.799 4.740 0.000 0.000 0.240 452 N C 0.866 176.389 175.510 0.023 0.000 1.182 452 N CA -0.332 52.734 53.050 0.026 0.000 0.874 452 N CB 0.049 38.551 38.487 0.025 0.000 1.126 452 N HN 0.266 nan 8.380 nan 0.000 0.516 453 R N 0.370 120.883 120.500 0.022 0.000 2.073 453 R HA -0.054 4.286 4.340 0.000 0.000 0.234 453 R C 1.391 177.697 176.300 0.011 0.000 1.134 453 R CA 1.514 57.625 56.100 0.018 0.000 0.952 453 R CB -0.365 29.947 30.300 0.020 0.000 0.850 453 R HN 0.234 nan 8.270 nan 0.000 0.433 454 N N 0.186 118.890 118.700 0.006 0.000 2.166 454 N HA -0.106 4.634 4.740 0.000 0.000 0.186 454 N C 1.796 177.292 175.510 -0.023 0.000 1.019 454 N CA 1.482 54.518 53.050 -0.023 0.000 0.856 454 N CB -0.416 38.039 38.487 -0.054 0.000 0.993 454 N HN 0.284 nan 8.380 nan 0.000 0.426 455 G N -0.305 108.497 108.800 0.004 0.000 2.418 455 G HA2 -0.307 3.653 3.960 0.000 0.000 0.217 455 G HA3 -0.307 3.653 3.960 0.000 0.000 0.217 455 G C 1.506 176.427 174.900 0.034 0.000 1.158 455 G CA 0.970 46.084 45.100 0.023 0.000 0.771 455 G HN 0.392 nan 8.290 nan 0.000 0.545 456 Q N 0.741 120.559 119.800 0.029 0.000 2.119 456 Q HA 0.167 4.507 4.340 0.000 0.000 0.201 456 Q C 2.617 178.638 176.000 0.035 0.000 0.972 456 Q CA 1.821 57.645 55.803 0.035 0.000 0.847 456 Q CB -0.578 28.174 28.738 0.025 0.000 0.903 456 Q HN 0.360 nan 8.270 nan 0.000 0.433 457 A N 0.107 122.936 122.820 0.015 0.000 1.902 457 A HA -0.117 4.204 4.320 0.000 0.000 0.217 457 A C 2.099 179.696 177.584 0.021 0.000 1.181 457 A CA 1.345 53.387 52.037 0.008 0.000 0.623 457 A CB -0.752 18.240 19.000 -0.013 0.000 0.818 457 A HN 0.452 nan 8.150 nan 0.000 0.443 458 L N -1.107 120.114 121.223 -0.004 0.000 2.046 458 L HA -0.178 4.162 4.340 0.000 0.000 0.208 458 L C 2.529 179.550 176.870 0.253 0.000 1.077 458 L CA 1.210 56.045 54.840 -0.008 0.000 0.747 458 L CB -0.470 41.487 42.059 -0.171 0.000 0.896 458 L HN 0.469 nan 8.230 nan 0.000 0.432 459 L N -0.257 121.098 121.223 0.221 0.000 2.131 459 L HA -0.198 4.142 4.340 0.000 0.000 0.210 459 L C 1.812 178.774 176.870 0.153 0.000 1.092 459 L CA 1.800 56.813 54.840 0.288 0.000 0.759 459 L CB -0.616 41.546 42.059 0.172 0.000 0.903 459 L HN 0.198 nan 8.230 nan 0.000 0.435 460 D N -0.690 119.765 120.400 0.091 0.000 2.348 460 D HA -0.098 4.543 4.640 0.000 0.000 0.216 460 D C 2.294 178.604 176.300 0.017 0.000 0.970 460 D CA 0.723 54.737 54.000 0.024 0.000 0.889 460 D CB -0.044 40.766 40.800 0.015 0.000 0.912 460 D HN 0.381 nan 8.370 nan 0.000 0.524 461 L N 0.959 122.255 121.223 0.123 0.000 2.127 461 L HA -0.202 4.138 4.340 0.000 0.000 0.211 461 L C 2.497 179.380 176.870 0.021 0.000 1.089 461 L CA 1.052 55.998 54.840 0.176 0.000 0.757 461 L CB -0.500 41.840 42.059 0.468 0.000 0.899 461 L HN 0.149 nan 8.230 nan 0.000 0.434 462 Q N -0.563 119.146 119.800 -0.151 0.000 2.500 462 Q HA -0.153 4.188 4.340 0.000 0.000 0.213 462 Q C 0.910 176.741 176.000 -0.281 0.000 0.974 462 Q CA 1.140 56.713 55.803 -0.384 0.000 0.918 462 Q CB -0.095 27.989 28.738 -1.090 0.000 0.980 462 Q HN 0.517 nan 8.270 nan 0.000 0.505 463 N N 0.734 119.309 118.700 -0.208 0.000 2.220 463 N HA 0.036 4.776 4.740 0.000 0.000 0.195 463 N C -0.089 175.332 175.510 -0.148 0.000 1.123 463 N CA 0.601 53.560 53.050 -0.152 0.000 0.874 463 N CB 1.006 39.433 38.487 -0.100 0.000 0.995 463 N HN 0.311 nan 8.380 nan 0.000 0.498 464 S N 0.045 115.637 115.700 -0.179 0.000 2.617 464 S HA 0.339 4.809 4.470 0.000 0.000 0.283 464 S C -0.038 174.443 174.600 -0.199 0.000 1.189 464 S CA -0.821 57.290 58.200 -0.148 0.000 1.036 464 S CB 1.084 64.227 63.200 -0.095 0.000 1.014 464 S HN 0.048 nan 8.310 nan 0.000 0.522 465 N N 1.498 120.122 118.700 -0.126 0.000 2.895 465 N HA 0.206 4.946 4.740 0.000 0.000 0.277 465 N C 0.832 176.292 175.510 -0.083 0.000 1.185 465 N CA -0.344 52.641 53.050 -0.108 0.000 1.106 465 N CB 0.467 38.918 38.487 -0.060 0.000 1.422 465 N HN 0.603 nan 8.380 nan 0.000 0.521 466 V N -1.544 118.299 119.914 -0.118 0.000 3.650 466 V HA 0.142 4.262 4.120 0.000 0.000 0.271 466 V C 0.611 176.727 176.094 0.036 0.000 1.281 466 V CA 0.012 62.296 62.300 -0.027 0.000 1.120 466 V CB 0.019 31.850 31.823 0.014 0.000 0.856 466 V HN 0.071 nan 8.190 nan 0.000 0.443 467 V N 2.610 122.540 119.914 0.026 0.000 2.368 467 V HA 0.729 4.849 4.120 0.000 0.000 0.266 467 V C 1.595 177.724 176.094 0.058 0.000 1.045 467 V CA 0.612 62.966 62.300 0.091 0.000 0.899 467 V CB -0.269 31.637 31.823 0.138 0.000 1.006 467 V HN 0.718 nan 8.190 nan 0.000 0.470 468 G N 4.005 112.843 108.800 0.062 0.000 2.196 468 G HA2 -0.139 3.821 3.960 0.000 0.000 0.268 468 G HA3 -0.139 3.821 3.960 0.000 0.000 0.268 468 G C 1.166 176.083 174.900 0.028 0.000 0.975 468 G CA 0.490 45.618 45.100 0.047 0.000 0.648 468 G HN 2.283 nan 8.290 nan 0.000 0.538 469 G N -0.244 108.569 108.800 0.021 0.000 2.160 469 G HA2 -0.082 3.878 3.960 0.000 0.000 0.251 469 G HA3 -0.082 3.878 3.960 0.000 0.000 0.251 469 G C 0.475 175.373 174.900 -0.003 0.000 1.008 469 G CA 1.319 46.422 45.100 0.005 0.000 0.724 469 G HN 2.296 nan 8.290 nan 0.000 0.514 470 N N -1.485 117.214 118.700 -0.002 0.000 2.073 470 N HA 0.171 4.911 4.740 0.000 0.000 0.227 470 N C -0.108 175.397 175.510 -0.010 0.000 1.367 470 N CA -0.069 52.977 53.050 -0.007 0.000 0.775 470 N CB 0.377 38.864 38.487 0.001 0.000 1.234 470 N HN 0.438 nan 8.380 nan 0.000 0.512 471 K N 0.134 120.525 120.400 -0.015 0.000 2.523 471 K HA 0.423 4.743 4.320 0.000 0.000 0.257 471 K C -0.798 175.763 176.600 -0.064 0.000 0.932 471 K CA -0.642 55.635 56.287 -0.016 0.000 0.812 471 K CB 2.232 34.747 32.500 0.024 0.000 1.326 471 K HN 0.191 nan 8.250 nan 0.000 0.433 472 T N -1.537 112.963 114.554 -0.091 0.000 2.816 472 T HA 0.261 4.611 4.350 0.000 0.000 0.282 472 T C 1.347 176.001 174.700 -0.077 0.000 0.993 472 T CA -0.445 61.525 62.100 -0.217 0.000 0.994 472 T CB 0.182 68.951 68.868 -0.165 0.000 1.025 472 T HN 0.427 nan 8.240 nan 0.000 0.529 473 F N 0.548 120.578 119.950 0.133 0.000 2.043 473 F HA -0.192 4.338 4.527 0.004 0.000 0.297 473 F C 3.027 178.910 175.800 0.139 0.000 1.118 473 F CA 1.598 59.702 58.000 0.173 0.000 1.202 473 F CB -0.565 38.587 39.000 0.252 0.000 0.965 473 F HN 0.651 nan 8.300 nan 0.000 0.482 474 N N 0.585 119.450 118.700 0.275 0.000 2.104 474 N HA -0.201 4.539 4.740 0.000 0.000 0.190 474 N C 1.365 176.973 175.510 0.164 0.000 1.024 474 N CA 1.889 55.055 53.050 0.194 0.000 0.853 474 N CB -0.287 38.276 38.487 0.128 0.000 1.008 474 N HN 0.212 nan 8.380 nan 0.000 0.424 475 D N 0.658 121.121 120.400 0.106 0.000 2.117 475 D HA -0.079 4.561 4.640 0.000 0.000 0.197 475 D C 1.872 178.230 176.300 0.095 0.000 0.987 475 D CA 1.125 55.170 54.000 0.074 0.000 0.829 475 D CB -0.469 40.351 40.800 0.033 0.000 0.961 475 D HN 0.384 nan 8.370 nan 0.000 0.460 476 A N 0.077 122.979 122.820 0.137 0.000 1.877 476 A HA -0.233 4.087 4.320 0.000 0.000 0.216 476 A C 2.233 179.913 177.584 0.160 0.000 1.186 476 A CA 1.346 53.472 52.037 0.149 0.000 0.620 476 A CB -1.077 18.047 19.000 0.208 0.000 0.822 476 A HN 0.298 nan 8.150 nan 0.000 0.443 477 Y N 0.468 120.817 120.300 0.082 0.000 2.114 477 Y HA -0.069 4.482 4.550 0.002 0.000 0.284 477 Y C 2.757 178.675 175.900 0.030 0.000 1.143 477 Y CA 1.275 59.404 58.100 0.048 0.000 1.135 477 Y CB -0.727 37.745 38.460 0.021 0.000 0.980 477 Y HN 0.301 nan 8.280 nan 0.000 0.499 478 A N -1.091 121.766 122.820 0.061 0.000 1.978 478 A HA -0.210 4.111 4.320 0.000 0.000 0.220 478 A C 2.202 179.736 177.584 -0.084 0.000 1.170 478 A CA 2.312 54.329 52.037 -0.033 0.000 0.636 478 A CB -1.245 17.782 19.000 0.046 0.000 0.810 478 A HN 0.526 nan 8.150 nan 0.000 0.448 479 T N -0.210 114.317 114.554 -0.045 0.000 2.904 479 T HA -0.060 4.290 4.350 0.000 0.000 0.267 479 T C 1.791 176.447 174.700 -0.074 0.000 1.059 479 T CA 1.250 63.326 62.100 -0.039 0.000 1.137 479 T CB -0.261 68.606 68.868 -0.002 0.000 0.879 479 T HN 0.367 nan 8.240 nan 0.000 0.467 480 L N 1.639 122.789 121.223 -0.121 0.000 2.046 480 L HA -0.006 4.334 4.340 0.000 0.000 0.208 480 L C 2.345 179.104 176.870 -0.185 0.000 1.077 480 L CA 1.570 56.327 54.840 -0.139 0.000 0.747 480 L CB -0.884 41.082 42.059 -0.155 0.000 0.896 480 L HN 0.061 nan 8.230 nan 0.000 0.432 481 V N -0.855 118.874 119.914 -0.308 0.000 2.261 481 V HA -0.281 3.840 4.120 0.000 0.000 0.246 481 V C 2.759 178.782 176.094 -0.120 0.000 1.047 481 V CA 1.958 64.108 62.300 -0.250 0.000 1.015 481 V CB -1.100 30.544 31.823 -0.298 0.000 0.642 481 V HN 0.645 nan 8.190 nan 0.000 0.446 482 S N -0.462 115.180 115.700 -0.097 0.000 2.382 482 S HA -0.238 4.232 4.470 0.000 0.000 0.228 482 S C 1.750 176.330 174.600 -0.032 0.000 1.027 482 S CA 1.878 60.049 58.200 -0.049 0.000 0.991 482 S CB -0.459 62.719 63.200 -0.037 0.000 0.823 482 S HN 0.644 nan 8.310 nan 0.000 0.469 483 D N 0.494 120.872 120.400 -0.038 0.000 2.117 483 D HA -0.032 4.609 4.640 0.000 0.000 0.198 483 D C 2.041 178.337 176.300 -0.007 0.000 0.982 483 D CA 0.964 54.953 54.000 -0.018 0.000 0.828 483 D CB -0.466 40.322 40.800 -0.020 0.000 0.967 483 D HN 0.278 nan 8.370 nan 0.000 0.464 484 V N 0.587 120.489 119.914 -0.019 0.000 2.358 484 V HA -0.133 3.988 4.120 0.000 0.000 0.246 484 V C 2.466 178.570 176.094 0.017 0.000 1.047 484 V CA 1.956 64.258 62.300 0.003 0.000 1.035 484 V CB -0.919 30.898 31.823 -0.010 0.000 0.658 484 V HN 0.244 nan 8.190 nan 0.000 0.452 485 G N -0.162 108.638 108.800 0.001 0.000 2.459 485 G HA2 -0.316 3.644 3.960 0.000 0.000 0.217 485 G HA3 -0.316 3.644 3.960 0.000 0.000 0.217 485 G C 1.418 176.337 174.900 0.031 0.000 1.183 485 G CA 1.258 46.366 45.100 0.014 0.000 0.776 485 G HN 0.592 nan 8.290 nan 0.000 0.552 486 N N -0.105 118.607 118.700 0.021 0.000 2.120 486 N HA -0.088 4.652 4.740 0.000 0.000 0.188 486 N C 2.111 177.645 175.510 0.041 0.000 1.024 486 N CA 1.172 54.238 53.050 0.026 0.000 0.852 486 N CB -0.118 38.378 38.487 0.016 0.000 1.003 486 N HN 0.320 nan 8.380 nan 0.000 0.424 487 K N 0.453 120.880 120.400 0.045 0.000 2.057 487 K HA -0.073 4.247 4.320 0.000 0.000 0.206 487 K C 1.732 178.391 176.600 0.099 0.000 1.050 487 K CA 1.350 57.675 56.287 0.063 0.000 0.935 487 K CB 0.002 32.538 32.500 0.059 0.000 0.715 487 K HN 0.041 nan 8.250 nan 0.000 0.439 488 T N 0.306 114.925 114.554 0.108 0.000 2.746 488 T HA -0.165 4.185 4.350 0.000 0.000 0.267 488 T C 1.930 176.755 174.700 0.209 0.000 1.039 488 T CA 1.734 63.937 62.100 0.172 0.000 1.142 488 T CB -0.322 68.622 68.868 0.127 0.000 0.866 488 T HN 0.504 nan 8.240 nan 0.000 0.444 489 S N 1.573 117.345 115.700 0.120 0.000 2.406 489 S HA -0.130 4.340 4.470 0.000 0.000 0.228 489 S C 2.299 176.922 174.600 0.039 0.000 1.020 489 S CA 1.585 59.830 58.200 0.075 0.000 0.965 489 S CB -0.934 62.293 63.200 0.046 0.000 0.798 489 S HN 0.693 nan 8.310 nan 0.000 0.488 490 T N 0.775 115.358 114.554 0.049 0.000 2.857 490 T HA 0.144 4.494 4.350 0.000 0.000 0.266 490 T C 1.880 176.599 174.700 0.032 0.000 1.048 490 T CA 0.874 62.992 62.100 0.030 0.000 1.139 490 T CB -0.796 68.091 68.868 0.032 0.000 0.874 490 T HN 0.363 nan 8.240 nan 0.000 0.455 491 L N 0.558 121.831 121.223 0.083 0.000 2.046 491 L HA -0.053 4.288 4.340 0.000 0.000 0.208 491 L C 3.063 179.927 176.870 -0.009 0.000 1.077 491 L CA 1.704 56.614 54.840 0.116 0.000 0.747 491 L CB -0.485 41.728 42.059 0.256 0.000 0.896 491 L HN 0.312 nan 8.230 nan 0.000 0.432 492 K N -0.507 119.811 120.400 -0.138 0.000 2.025 492 K HA -0.152 4.168 4.320 0.000 0.000 0.207 492 K C 2.029 178.452 176.600 -0.296 0.000 1.049 492 K CA 1.803 57.742 56.287 -0.580 0.000 0.933 492 K CB -0.007 32.182 32.500 -0.518 0.000 0.714 492 K HN 0.175 nan 8.250 nan 0.000 0.438 493 T N 0.090 114.557 114.554 -0.145 0.000 2.746 493 T HA -0.136 4.214 4.350 0.000 0.000 0.267 493 T C 1.932 176.589 174.700 -0.073 0.000 1.039 493 T CA 1.559 63.604 62.100 -0.091 0.000 1.142 493 T CB -0.277 68.562 68.868 -0.048 0.000 0.866 493 T HN 0.228 nan 8.240 nan 0.000 0.444 494 S N 1.148 116.817 115.700 -0.052 0.000 2.356 494 S HA -0.147 4.323 4.470 0.000 0.000 0.223 494 S C 2.400 176.978 174.600 -0.037 0.000 1.032 494 S CA 1.849 60.032 58.200 -0.027 0.000 1.005 494 S CB -0.445 62.755 63.200 0.001 0.000 0.867 494 S HN 0.710 nan 8.310 nan 0.000 0.449 495 S N -0.064 115.597 115.700 -0.065 0.000 2.383 495 S HA -0.069 4.401 4.470 0.000 0.000 0.227 495 S C 1.918 176.477 174.600 -0.068 0.000 1.026 495 S CA 1.535 59.701 58.200 -0.056 0.000 0.981 495 S CB -1.191 61.965 63.200 -0.073 0.000 0.818 495 S HN 0.522 nan 8.310 nan 0.000 0.472 496 T N 2.353 116.844 114.554 -0.106 0.000 2.708 496 T HA -0.071 4.279 4.350 0.000 0.000 0.266 496 T C 2.008 176.681 174.700 -0.046 0.000 1.037 496 T CA 1.944 63.995 62.100 -0.082 0.000 1.146 496 T CB -0.994 67.815 68.868 -0.098 0.000 0.865 496 T HN 0.556 nan 8.240 nan 0.000 0.435 497 T N 1.698 116.227 114.554 -0.042 0.000 2.652 497 T HA -0.169 4.181 4.350 0.000 0.000 0.267 497 T C 2.123 176.815 174.700 -0.014 0.000 1.039 497 T CA 1.646 63.731 62.100 -0.024 0.000 1.153 497 T CB -0.348 68.507 68.868 -0.021 0.000 0.863 497 T HN 0.317 nan 8.240 nan 0.000 0.428 498 Q N 1.107 120.899 119.800 -0.013 0.000 2.167 498 Q HA 0.148 4.488 4.340 0.000 0.000 0.202 498 Q C 2.194 178.195 176.000 0.001 0.000 0.970 498 Q CA 1.517 57.318 55.803 -0.003 0.000 0.855 498 Q CB -0.592 28.146 28.738 0.001 0.000 0.911 498 Q HN 0.483 nan 8.270 nan 0.000 0.438 499 A N 0.394 123.213 122.820 -0.003 0.000 2.019 499 A HA -0.162 4.158 4.320 0.000 0.000 0.219 499 A C 1.754 179.345 177.584 0.012 0.000 1.164 499 A CA 1.535 53.575 52.037 0.006 0.000 0.644 499 A CB -0.570 18.430 19.000 -0.001 0.000 0.805 499 A HN 0.454 nan 8.150 nan 0.000 0.449 500 N N -0.071 118.631 118.700 0.003 0.000 2.396 500 N HA -0.064 4.676 4.740 0.000 0.000 0.180 500 N C 1.516 177.035 175.510 0.015 0.000 1.028 500 N CA 1.146 54.200 53.050 0.006 0.000 0.893 500 N CB -0.288 38.198 38.487 -0.003 0.000 0.967 500 N HN 0.265 nan 8.380 nan 0.000 0.440 501 V N 0.444 120.365 119.914 0.013 0.000 2.515 501 V HA -0.118 4.002 4.120 0.000 0.000 0.250 501 V C 2.246 178.356 176.094 0.027 0.000 1.058 501 V CA 0.935 63.244 62.300 0.015 0.000 1.064 501 V CB -0.201 31.627 31.823 0.008 0.000 0.675 501 V HN 0.051 nan 8.190 nan 0.000 0.461 502 V N -0.357 119.578 119.914 0.034 0.000 2.358 502 V HA -0.182 3.938 4.120 0.000 0.000 0.246 502 V C 2.522 178.682 176.094 0.111 0.000 1.047 502 V CA 1.588 63.920 62.300 0.054 0.000 1.035 502 V CB -0.633 31.222 31.823 0.052 0.000 0.658 502 V HN 0.480 nan 8.190 nan 0.000 0.452 503 K N 0.235 120.690 120.400 0.091 0.000 2.097 503 K HA -0.214 4.106 4.320 0.000 0.000 0.205 503 K C 2.200 178.849 176.600 0.080 0.000 1.050 503 K CA 1.686 58.027 56.287 0.091 0.000 0.938 503 K CB -0.240 32.283 32.500 0.039 0.000 0.718 503 K HN 0.572 nan 8.250 nan 0.000 0.442 504 Q N 1.031 120.865 119.800 0.056 0.000 2.167 504 Q HA -0.029 4.311 4.340 0.000 0.000 0.202 504 Q C 1.935 177.970 176.000 0.057 0.000 0.970 504 Q CA 1.000 56.829 55.803 0.043 0.000 0.855 504 Q CB 0.015 28.768 28.738 0.025 0.000 0.911 504 Q HN 0.228 nan 8.270 nan 0.000 0.438 505 L N -0.931 120.333 121.223 0.068 0.000 2.127 505 L HA -0.060 4.280 4.340 0.000 0.000 0.203 505 L C 2.114 179.051 176.870 0.111 0.000 1.080 505 L CA 0.630 55.505 54.840 0.059 0.000 0.768 505 L CB -0.457 41.616 42.059 0.023 0.000 0.924 505 L HN 0.306 nan 8.230 nan 0.000 0.444 506 Y N 1.397 121.693 120.300 -0.005 0.000 2.165 506 Y HA -0.272 4.278 4.550 0.000 0.000 0.286 506 Y C 2.413 178.310 175.900 -0.004 0.000 1.155 506 Y CA 1.459 59.556 58.100 -0.005 0.000 1.164 506 Y CB -0.118 38.339 38.460 -0.004 0.000 0.978 506 Y HN 0.030 nan 8.280 nan 0.000 0.513 507 K N -0.280 120.238 120.400 0.195 0.000 2.418 507 K HA -0.099 4.221 4.320 0.000 0.000 0.195 507 K C 2.023 178.664 176.600 0.069 0.000 1.035 507 K CA 0.338 56.675 56.287 0.083 0.000 1.003 507 K CB 0.027 32.537 32.500 0.018 0.000 0.793 507 K HN 0.455 nan 8.250 nan 0.000 0.494 508 Q N 1.014 120.858 119.800 0.074 0.000 2.084 508 Q HA -0.153 4.188 4.340 0.000 0.000 0.202 508 Q C 0.848 176.875 176.000 0.044 0.000 0.978 508 Q CA 1.344 57.174 55.803 0.045 0.000 0.844 508 Q CB 0.368 29.128 28.738 0.036 0.000 0.898 508 Q HN 0.323 nan 8.270 nan 0.000 0.426 509 Q N 0.000 119.837 119.800 0.061 0.000 2.315 509 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 509 Q CA 0.000 55.835 55.803 0.053 0.000 1.022 509 Q CB 0.000 28.761 28.738 0.039 0.000 1.108 509 Q HN 0.000 nan 8.270 nan 0.000 0.481