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 3mk1_1_A DATA FIRST_RESID 1 DATA SEQUENCE IIPVEEENPD FWNREAAEAL GAAKKLQPAQ TAAKNLIIFL GDGMGVSTVT DATA SEQUENCE AARILKGQKK DKLGPEIPLA MDRFPYVALS KTYNVDKHVP DXGATATAYL DATA SEQUENCE CGVKGNFQTI GLSAAARFNQ cNTTRGNEVI SVMNRAKKAG KSVGVVTTTR DATA SEQUENCE VQHASPAGTY AHTVNRNWYS DADVPASARQ EGcQDIATQL ISNMDIDVIL DATA SEQUENCE GGGRKYMFRM GTPDPEYPDD YSQGGTRLDG KNLVQEWLAK RQGARYVWNR DATA SEQUENCE TELMQASLDP SVTHLMGLFE PGDMKYEIHR DSTLDPSLME MTEAALRLLS DATA SEQUENCE RNPRGFFLFV EGGRIDHGHH ESRAYRALTE TIMFDDAIER AGQLTSEEDT DATA SEQUENCE LSLVTADHSH VFSFGGYPLR GSSIFGLAPG KARDRKAYTV LLYGNGPGYV DATA SEQUENCE LKDGARPDVT ESESGSPEYR QQSAVPLDEE THAGEDVAVF ARGPQAHLVH DATA SEQUENCE GVQEQTFIAH VMAFAAcLEP YTAcDLAPPA G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.119 176.117 0.004 0.000 1.063 1 I CA 0.000 61.302 61.300 0.004 0.000 1.566 1 I CB 0.000 38.000 38.000 0.000 0.000 1.214 2 I N 7.116 127.685 120.570 -0.001 0.000 2.297 2 I HA 0.422 4.591 4.170 -0.002 0.000 0.291 2 I C -2.004 174.100 176.117 -0.020 0.000 1.033 2 I CA -1.627 59.671 61.300 -0.002 0.000 1.253 2 I CB 1.252 39.252 38.000 0.000 0.000 1.396 2 I HN 0.443 nan 8.210 nan 0.000 0.476 3 P HA 0.048 nan 4.420 nan 0.000 0.271 3 P C 0.985 178.222 177.300 -0.105 0.000 1.226 3 P CA -0.092 62.961 63.100 -0.078 0.000 0.765 3 P CB 1.482 33.114 31.700 -0.113 0.000 0.835 4 V N 4.008 123.869 119.914 -0.089 0.000 2.332 4 V HA -0.259 3.861 4.120 -0.002 0.000 0.248 4 V C 2.591 178.612 176.094 -0.122 0.000 1.055 4 V CA 2.388 64.642 62.300 -0.077 0.000 1.038 4 V CB -1.124 30.668 31.823 -0.051 0.000 0.651 4 V HN 0.669 nan 8.190 nan 0.000 0.450 5 E N 0.605 120.687 120.200 -0.197 0.000 2.160 5 E HA -0.291 4.058 4.350 -0.002 0.000 0.195 5 E C 1.657 177.959 176.600 -0.496 0.000 0.991 5 E CA 1.790 58.025 56.400 -0.275 0.000 0.810 5 E CB -0.374 29.158 29.700 -0.279 0.000 0.742 5 E HN 0.737 nan 8.360 nan 0.000 0.466 6 E N 0.620 120.474 120.200 -0.576 0.000 2.502 6 E HA -0.040 4.309 4.350 -0.002 0.000 0.194 6 E C 1.423 178.081 176.600 0.097 0.000 1.062 6 E CA 0.193 56.311 56.400 -0.470 0.000 0.867 6 E CB 0.152 29.709 29.700 -0.239 0.000 0.888 6 E HN 0.449 nan 8.360 nan 0.000 0.510 7 E N 0.875 121.085 120.200 0.017 0.000 2.358 7 E HA -0.045 4.305 4.350 -0.002 0.000 0.195 7 E C 0.516 177.185 176.600 0.114 0.000 1.010 7 E CA 0.071 56.519 56.400 0.080 0.000 0.856 7 E CB -0.025 29.692 29.700 0.028 0.000 0.795 7 E HN 0.148 nan 8.360 nan 0.000 0.504 8 N N 1.510 120.274 118.700 0.107 0.000 2.414 8 N HA 0.040 4.779 4.740 -0.002 0.000 0.256 8 N C -1.848 173.804 175.510 0.238 0.000 1.029 8 N CA -1.822 51.306 53.050 0.129 0.000 0.948 8 N CB 1.174 39.712 38.487 0.085 0.000 1.102 8 N HN -0.231 nan 8.380 nan 0.000 0.496 9 P HA -0.161 nan 4.420 nan 0.000 0.218 9 P C 0.231 177.683 177.300 0.253 0.000 1.146 9 P CA 1.128 64.403 63.100 0.292 0.000 0.813 9 P CB 0.247 32.050 31.700 0.172 0.000 0.778 10 D N -0.932 119.563 120.400 0.158 0.000 2.190 10 D HA -0.188 4.451 4.640 -0.002 0.000 0.200 10 D C 1.723 178.063 176.300 0.067 0.000 0.992 10 D CA 0.834 54.892 54.000 0.096 0.000 0.854 10 D CB -1.055 39.782 40.800 0.062 0.000 0.936 10 D HN 0.205 nan 8.370 nan 0.000 0.462 11 F N -0.080 119.814 119.950 -0.093 0.000 2.095 11 F HA -0.189 4.337 4.527 -0.002 0.000 0.298 11 F C 1.902 177.488 175.800 -0.357 0.000 1.104 11 F CA 1.539 59.359 58.000 -0.299 0.000 1.232 11 F CB -0.389 38.306 39.000 -0.508 0.000 0.987 11 F HN -0.050 nan 8.300 nan 0.000 0.475 12 W N 0.571 121.982 121.300 0.185 0.000 2.418 12 W HA -0.102 4.557 4.660 -0.002 0.000 0.292 12 W C 2.292 178.798 176.519 -0.021 0.000 1.213 12 W CA 0.772 58.164 57.345 0.077 0.000 1.283 12 W CB -0.751 28.800 29.460 0.151 0.000 1.119 12 W HN -0.067 nan 8.180 nan 0.000 0.542 13 N N 0.442 119.251 118.700 0.181 0.000 2.188 13 N HA -0.144 4.595 4.740 -0.002 0.000 0.184 13 N C 1.704 177.214 175.510 0.000 0.000 1.018 13 N CA 1.330 54.432 53.050 0.088 0.000 0.858 13 N CB -0.694 37.841 38.487 0.081 0.000 0.989 13 N HN 0.220 nan 8.380 nan 0.000 0.426 14 R N 1.253 121.712 120.500 -0.069 0.000 2.073 14 R HA -0.084 4.255 4.340 -0.002 0.000 0.234 14 R C 1.932 178.136 176.300 -0.159 0.000 1.134 14 R CA 1.160 57.187 56.100 -0.121 0.000 0.952 14 R CB -0.073 30.126 30.300 -0.168 0.000 0.850 14 R HN 0.114 nan 8.270 nan 0.000 0.433 15 E N 0.498 120.543 120.200 -0.259 0.000 2.085 15 E HA -0.192 4.157 4.350 -0.002 0.000 0.194 15 E C 1.624 178.174 176.600 -0.083 0.000 0.994 15 E CA 1.613 57.870 56.400 -0.239 0.000 0.801 15 E CB -0.086 29.394 29.700 -0.366 0.000 0.743 15 E HN 0.479 nan 8.360 nan 0.000 0.453 16 A N 1.034 123.844 122.820 -0.016 0.000 1.929 16 A HA 0.061 4.380 4.320 -0.002 0.000 0.216 16 A C 2.431 180.016 177.584 0.002 0.000 1.176 16 A CA 1.720 53.772 52.037 0.025 0.000 0.628 16 A CB -0.603 18.437 19.000 0.067 0.000 0.816 16 A HN 0.346 nan 8.150 nan 0.000 0.444 17 A N -0.444 122.369 122.820 -0.011 0.000 1.908 17 A HA -0.198 4.121 4.320 -0.002 0.000 0.218 17 A C 2.070 179.639 177.584 -0.026 0.000 1.181 17 A CA 1.823 53.851 52.037 -0.015 0.000 0.627 17 A CB -0.451 18.538 19.000 -0.019 0.000 0.818 17 A HN 0.500 nan 8.150 nan 0.000 0.445 18 E N 0.120 120.293 120.200 -0.045 0.000 2.051 18 E HA -0.142 4.207 4.350 -0.002 0.000 0.192 18 E C 2.296 178.876 176.600 -0.035 0.000 0.991 18 E CA 1.227 57.597 56.400 -0.049 0.000 0.799 18 E CB -0.328 29.327 29.700 -0.075 0.000 0.748 18 E HN 0.482 nan 8.360 nan 0.000 0.449 19 A N 1.181 123.984 122.820 -0.028 0.000 1.908 19 A HA -0.158 4.161 4.320 -0.002 0.000 0.218 19 A C 2.434 180.014 177.584 -0.007 0.000 1.181 19 A CA 1.232 53.261 52.037 -0.013 0.000 0.627 19 A CB -0.727 18.276 19.000 0.004 0.000 0.818 19 A HN 0.275 nan 8.150 nan 0.000 0.445 20 L N -0.768 120.453 121.223 -0.003 0.000 2.046 20 L HA -0.132 4.207 4.340 -0.002 0.000 0.208 20 L C 2.861 179.728 176.870 -0.005 0.000 1.077 20 L CA 1.108 55.949 54.840 0.001 0.000 0.747 20 L CB -0.813 41.249 42.059 0.004 0.000 0.896 20 L HN 0.495 nan 8.230 nan 0.000 0.432 21 G N -0.484 108.309 108.800 -0.011 0.000 2.446 21 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.217 21 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.217 21 G C 1.755 176.646 174.900 -0.015 0.000 1.168 21 G CA 0.860 45.952 45.100 -0.013 0.000 0.771 21 G HN 0.477 nan 8.290 nan 0.000 0.551 22 A N 1.175 123.983 122.820 -0.020 0.000 1.902 22 A HA 0.275 4.594 4.320 -0.002 0.000 0.217 22 A C 2.839 180.409 177.584 -0.024 0.000 1.181 22 A CA 2.273 54.295 52.037 -0.026 0.000 0.623 22 A CB -0.850 18.131 19.000 -0.033 0.000 0.818 22 A HN 0.835 nan 8.150 nan 0.000 0.443 23 A N -0.057 122.753 122.820 -0.017 0.000 1.908 23 A HA -0.195 4.125 4.320 -0.002 0.000 0.218 23 A C 2.081 179.668 177.584 0.004 0.000 1.181 23 A CA 1.894 53.926 52.037 -0.008 0.000 0.627 23 A CB -0.449 18.553 19.000 0.005 0.000 0.818 23 A HN 0.560 nan 8.150 nan 0.000 0.445 24 K N -0.365 120.037 120.400 0.003 0.000 2.283 24 K HA -0.061 4.258 4.320 -0.002 0.000 0.202 24 K C 1.738 178.341 176.600 0.005 0.000 1.048 24 K CA 1.256 57.547 56.287 0.007 0.000 0.948 24 K CB -0.074 32.427 32.500 0.003 0.000 0.742 24 K HN 0.424 nan 8.250 nan 0.000 0.458 25 K N 0.656 121.055 120.400 -0.002 0.000 2.365 25 K HA 0.068 4.387 4.320 -0.002 0.000 0.197 25 K C 0.290 176.894 176.600 0.005 0.000 1.042 25 K CA 0.111 56.397 56.287 -0.003 0.000 0.987 25 K CB 0.055 32.549 32.500 -0.011 0.000 0.779 25 K HN 0.071 nan 8.250 nan 0.000 0.484 26 L N 2.759 123.990 121.223 0.013 0.000 2.513 26 L HA -0.053 4.286 4.340 -0.002 0.000 0.272 26 L C 0.141 177.049 176.870 0.063 0.000 1.187 26 L CA 0.406 55.275 54.840 0.047 0.000 0.895 26 L CB 0.187 42.283 42.059 0.062 0.000 1.147 26 L HN 0.137 nan 8.230 nan 0.000 0.483 27 Q N 4.336 124.172 119.800 0.061 0.000 2.372 27 Q HA 0.497 4.836 4.340 -0.002 0.000 0.273 27 Q C -2.268 173.711 176.000 -0.035 0.000 1.078 27 Q CA -1.728 54.078 55.803 0.004 0.000 0.806 27 Q CB 2.086 30.819 28.738 -0.010 0.000 1.332 27 Q HN 0.401 nan 8.270 nan 0.000 0.435 28 P HA 0.313 nan 4.420 nan 0.000 0.275 28 P C -0.930 176.269 177.300 -0.168 0.000 1.227 28 P CA -0.283 62.543 63.100 -0.457 0.000 0.781 28 P CB 0.686 31.804 31.700 -0.970 0.000 0.906 29 A N 2.957 125.760 122.820 -0.028 0.000 2.425 29 A HA 0.128 4.447 4.320 -0.002 0.000 0.249 29 A C 1.108 178.721 177.584 0.048 0.000 1.084 29 A CA -0.360 51.697 52.037 0.033 0.000 0.781 29 A CB 0.087 19.130 19.000 0.072 0.000 1.019 29 A HN 0.617 nan 8.150 nan 0.000 0.490 30 Q N 0.630 120.448 119.800 0.029 0.000 2.319 30 Q HA 0.061 4.400 4.340 -0.002 0.000 0.202 30 Q C 0.081 176.098 176.000 0.028 0.000 0.896 30 Q CA 0.612 56.437 55.803 0.037 0.000 0.942 30 Q CB -0.112 28.637 28.738 0.019 0.000 1.083 30 Q HN 0.863 nan 8.270 nan 0.000 0.510 31 T N -2.199 112.368 114.554 0.021 0.000 2.918 31 T HA 0.735 5.084 4.350 -0.002 0.000 0.286 31 T C 0.013 174.699 174.700 -0.023 0.000 1.026 31 T CA -0.797 61.301 62.100 -0.004 0.000 1.031 31 T CB 2.130 70.995 68.868 -0.004 0.000 1.046 31 T HN 0.140 nan 8.240 nan 0.000 0.479 32 A N 1.299 124.084 122.820 -0.058 0.000 2.346 32 A HA 0.711 5.030 4.320 -0.002 0.000 0.252 32 A C 0.743 178.285 177.584 -0.070 0.000 1.089 32 A CA -0.453 51.526 52.037 -0.097 0.000 0.797 32 A CB -0.505 18.425 19.000 -0.116 0.000 1.047 32 A HN 1.462 nan 8.150 nan 0.000 0.494 33 A N 0.258 123.029 122.820 -0.082 0.000 2.362 33 A HA 0.398 4.717 4.320 -0.002 0.000 0.276 33 A C 1.154 178.684 177.584 -0.091 0.000 1.153 33 A CA -0.042 51.949 52.037 -0.076 0.000 0.813 33 A CB 0.267 19.225 19.000 -0.070 0.000 1.081 33 A HN 0.972 nan 8.150 nan 0.000 0.507 34 K N 2.060 122.398 120.400 -0.103 0.000 2.076 34 K HA -0.047 4.272 4.320 -0.002 0.000 0.204 34 K C -0.061 176.416 176.600 -0.205 0.000 1.051 34 K CA 0.976 57.193 56.287 -0.117 0.000 0.949 34 K CB -0.041 32.401 32.500 -0.098 0.000 0.726 34 K HN 0.800 nan 8.250 nan 0.000 0.443 35 N N 0.386 118.898 118.700 -0.315 0.000 2.335 35 N HA 0.355 5.094 4.740 -0.002 0.000 0.304 35 N C -1.191 174.081 175.510 -0.397 0.000 1.135 35 N CA -0.485 52.201 53.050 -0.607 0.000 0.817 35 N CB 1.970 39.811 38.487 -1.076 0.000 1.294 35 N HN -0.001 nan 8.380 nan 0.000 0.497 36 L N 1.646 122.625 121.223 -0.406 0.000 2.410 36 L HA 0.607 4.946 4.340 -0.002 0.000 0.270 36 L C -0.755 175.858 176.870 -0.429 0.000 0.983 36 L CA -0.574 54.091 54.840 -0.292 0.000 0.822 36 L CB 1.962 43.929 42.059 -0.153 0.000 1.285 36 L HN 0.342 nan 8.230 nan 0.000 0.409 37 I N 4.211 124.574 120.570 -0.345 0.000 2.499 37 I HA 0.470 4.639 4.170 -0.002 0.000 0.288 37 I C -0.840 175.006 176.117 -0.451 0.000 1.048 37 I CA -0.496 60.527 61.300 -0.463 0.000 1.062 37 I CB 2.841 40.593 38.000 -0.415 0.000 1.238 37 I HN 0.494 nan 8.210 nan 0.000 0.426 38 I N 5.905 126.171 120.570 -0.507 0.000 2.362 38 I HA 0.450 4.619 4.170 -0.002 0.000 0.289 38 I C -1.351 174.539 176.117 -0.378 0.000 0.994 38 I CA -0.415 60.741 61.300 -0.240 0.000 1.158 38 I CB 0.919 38.949 38.000 0.050 0.000 1.315 38 I HN 0.351 nan 8.210 nan 0.000 0.451 39 F N 8.027 127.971 119.950 -0.011 0.000 2.385 39 F HA 0.389 4.915 4.527 -0.002 0.000 0.360 39 F C -0.287 175.611 175.800 0.163 0.000 1.122 39 F CA -0.675 57.351 58.000 0.044 0.000 1.090 39 F CB 1.314 40.264 39.000 -0.083 0.000 1.150 39 F HN 0.236 nan 8.300 nan 0.000 0.472 40 L N 4.103 125.404 121.223 0.130 0.000 2.294 40 L HA 0.568 4.908 4.340 -0.002 0.000 0.283 40 L C -0.090 176.471 176.870 -0.516 0.000 1.015 40 L CA -0.168 54.576 54.840 -0.160 0.000 0.831 40 L CB 0.888 42.795 42.059 -0.253 0.000 1.217 40 L HN 0.693 nan 8.230 nan 0.000 0.420 41 G N 4.037 112.421 108.800 -0.692 0.000 2.457 41 G HA2 0.080 4.039 3.960 -0.002 0.000 0.316 41 G HA3 0.080 4.039 3.960 -0.002 0.000 0.316 41 G C -0.171 174.415 174.900 -0.523 0.000 1.030 41 G CA -0.385 44.063 45.100 -1.087 0.000 1.073 41 G HN 0.678 nan 8.290 nan 0.000 0.430 42 D N 2.192 122.332 120.400 -0.435 0.000 2.363 42 D HA 0.310 4.949 4.640 -0.002 0.000 0.263 42 D C 1.444 177.604 176.300 -0.233 0.000 1.258 42 D CA 1.346 55.182 54.000 -0.273 0.000 0.907 42 D CB 0.698 41.426 40.800 -0.120 0.000 1.107 42 D HN 0.743 nan 8.370 nan 0.000 0.495 43 G N 4.208 112.775 108.800 -0.388 0.000 2.157 43 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.248 43 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.248 43 G C 0.700 175.657 174.900 0.094 0.000 0.979 43 G CA 0.258 45.315 45.100 -0.071 0.000 0.650 43 G HN 0.564 nan 8.290 nan 0.000 0.529 44 M N 2.345 121.901 119.600 -0.074 0.000 3.436 44 M HA 0.433 4.912 4.480 -0.002 0.000 0.240 44 M C 1.149 177.487 176.300 0.064 0.000 1.469 44 M CA 0.532 55.831 55.300 -0.001 0.000 1.622 44 M CB -0.758 31.791 32.600 -0.085 0.000 1.098 44 M HN 0.292 nan 8.290 nan 0.000 0.568 45 G N 0.873 109.747 108.800 0.124 0.000 2.588 45 G HA2 0.273 4.233 3.960 -0.002 0.000 0.278 45 G HA3 0.273 4.233 3.960 -0.002 0.000 0.278 45 G C 0.751 175.741 174.900 0.151 0.000 1.307 45 G CA -0.731 44.444 45.100 0.125 0.000 1.016 45 G HN 0.389 nan 8.290 nan 0.000 0.503 46 V N 0.715 120.706 119.914 0.129 0.000 2.343 46 V HA -0.208 3.911 4.120 -0.002 0.000 0.247 46 V C 3.252 179.443 176.094 0.162 0.000 1.051 46 V CA 2.623 65.000 62.300 0.129 0.000 1.036 46 V CB -0.663 31.211 31.823 0.086 0.000 0.654 46 V HN 0.852 nan 8.190 nan 0.000 0.451 47 S N -0.509 115.301 115.700 0.184 0.000 2.399 47 S HA -0.223 4.246 4.470 -0.002 0.000 0.231 47 S C 1.906 176.733 174.600 0.379 0.000 1.022 47 S CA 1.873 60.208 58.200 0.225 0.000 0.983 47 S CB -0.812 62.479 63.200 0.152 0.000 0.803 47 S HN 0.584 nan 8.310 nan 0.000 0.480 48 T N 2.392 117.185 114.554 0.398 0.000 2.737 48 T HA -0.009 4.340 4.350 -0.002 0.000 0.265 48 T C 1.934 176.734 174.700 0.168 0.000 1.038 48 T CA 1.378 63.663 62.100 0.309 0.000 1.144 48 T CB -0.620 68.388 68.868 0.235 0.000 0.866 48 T HN 0.291 nan 8.240 nan 0.000 0.434 49 V N 1.715 121.720 119.914 0.152 0.000 2.287 49 V HA -0.214 3.905 4.120 -0.002 0.000 0.248 49 V C 2.804 178.944 176.094 0.076 0.000 1.053 49 V CA 2.178 64.544 62.300 0.109 0.000 1.027 49 V CB -1.220 30.704 31.823 0.168 0.000 0.646 49 V HN 0.530 nan 8.190 nan 0.000 0.447 50 T N 0.290 114.905 114.554 0.102 0.000 2.708 50 T HA -0.131 4.218 4.350 -0.002 0.000 0.266 50 T C 2.068 176.742 174.700 -0.043 0.000 1.037 50 T CA 1.582 63.721 62.100 0.067 0.000 1.146 50 T CB -0.465 68.483 68.868 0.133 0.000 0.865 50 T HN 0.568 nan 8.240 nan 0.000 0.435 51 A N 1.515 124.297 122.820 -0.064 0.000 1.902 51 A HA 0.127 4.447 4.320 -0.002 0.000 0.217 51 A C 2.641 180.115 177.584 -0.183 0.000 1.181 51 A CA 1.878 53.773 52.037 -0.238 0.000 0.623 51 A CB -1.111 17.878 19.000 -0.018 0.000 0.818 51 A HN 0.509 nan 8.150 nan 0.000 0.443 52 A N -0.447 122.324 122.820 -0.080 0.000 1.930 52 A HA -0.150 4.169 4.320 -0.002 0.000 0.217 52 A C 2.239 179.764 177.584 -0.098 0.000 1.175 52 A CA 1.650 53.631 52.037 -0.093 0.000 0.627 52 A CB -0.512 18.453 19.000 -0.058 0.000 0.815 52 A HN 0.565 nan 8.150 nan 0.000 0.443 53 R N -0.179 120.276 120.500 -0.074 0.000 2.083 53 R HA -0.130 4.209 4.340 -0.002 0.000 0.237 53 R C 1.927 178.181 176.300 -0.076 0.000 1.137 53 R CA 1.962 58.024 56.100 -0.063 0.000 0.951 53 R CB -0.419 29.866 30.300 -0.026 0.000 0.851 53 R HN 0.550 nan 8.270 nan 0.000 0.434 54 I N 0.736 121.239 120.570 -0.112 0.000 2.226 54 I HA -0.288 3.881 4.170 -0.002 0.000 0.245 54 I C 2.359 178.391 176.117 -0.141 0.000 1.100 54 I CA 0.732 61.955 61.300 -0.127 0.000 1.374 54 I CB -0.251 37.625 38.000 -0.206 0.000 1.057 54 I HN 0.256 nan 8.210 nan 0.000 0.413 55 L N 1.113 122.224 121.223 -0.187 0.000 2.046 55 L HA -0.214 4.125 4.340 -0.002 0.000 0.208 55 L C 2.424 179.235 176.870 -0.099 0.000 1.077 55 L CA 1.919 56.657 54.840 -0.170 0.000 0.747 55 L CB -0.673 41.263 42.059 -0.205 0.000 0.896 55 L HN 0.084 nan 8.230 nan 0.000 0.432 56 K N -0.977 119.368 120.400 -0.091 0.000 2.097 56 K HA -0.098 4.221 4.320 -0.002 0.000 0.205 56 K C 1.995 178.563 176.600 -0.053 0.000 1.050 56 K CA 1.180 57.425 56.287 -0.069 0.000 0.938 56 K CB -0.543 31.913 32.500 -0.074 0.000 0.718 56 K HN 0.490 nan 8.250 nan 0.000 0.442 57 G N 0.741 109.511 108.800 -0.051 0.000 2.440 57 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.218 57 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.218 57 G C 1.286 176.170 174.900 -0.027 0.000 1.154 57 G CA 0.692 45.773 45.100 -0.033 0.000 0.767 57 G HN 0.408 nan 8.290 nan 0.000 0.552 58 Q N -0.153 119.626 119.800 -0.034 0.000 2.172 58 Q HA 0.022 4.361 4.340 -0.002 0.000 0.200 58 Q C 2.547 178.538 176.000 -0.014 0.000 0.964 58 Q CA 0.600 56.390 55.803 -0.023 0.000 0.855 58 Q CB -0.021 28.700 28.738 -0.028 0.000 0.918 58 Q HN 0.250 nan 8.270 nan 0.000 0.444 59 K N 0.960 121.348 120.400 -0.021 0.000 2.103 59 K HA -0.151 4.168 4.320 -0.002 0.000 0.207 59 K C 1.479 178.071 176.600 -0.013 0.000 1.048 59 K CA 1.033 57.312 56.287 -0.014 0.000 0.930 59 K CB -0.028 32.456 32.500 -0.025 0.000 0.716 59 K HN -0.088 nan 8.250 nan 0.000 0.444 60 K N 1.582 121.971 120.400 -0.018 0.000 2.577 60 K HA -0.028 4.291 4.320 -0.002 0.000 0.210 60 K C -0.735 175.858 176.600 -0.012 0.000 1.048 60 K CA 0.149 56.426 56.287 -0.016 0.000 1.188 60 K CB -0.305 32.182 32.500 -0.022 0.000 0.910 60 K HN 0.025 nan 8.250 nan 0.000 0.483 61 D N 0.260 120.655 120.400 -0.008 0.000 2.772 61 D HA -0.192 4.447 4.640 -0.002 0.000 0.233 61 D C -0.766 175.530 176.300 -0.006 0.000 1.143 61 D CA 0.972 54.969 54.000 -0.005 0.000 0.700 61 D CB -0.248 40.550 40.800 -0.004 0.000 1.076 61 D HN 0.240 nan 8.370 nan 0.000 0.430 62 K N -0.578 119.818 120.400 -0.007 0.000 2.303 62 K HA 0.448 4.767 4.320 -0.002 0.000 0.233 62 K C 1.579 178.177 176.600 -0.003 0.000 1.046 62 K CA -0.872 55.413 56.287 -0.004 0.000 0.895 62 K CB 0.056 32.555 32.500 -0.002 0.000 1.220 62 K HN -0.000 nan 8.250 nan 0.000 0.470 63 L N 0.214 121.439 121.223 0.003 0.000 2.240 63 L HA -0.044 4.295 4.340 -0.002 0.000 0.211 63 L C 1.421 178.296 176.870 0.008 0.000 1.106 63 L CA 1.484 56.328 54.840 0.008 0.000 0.793 63 L CB -0.240 41.829 42.059 0.016 0.000 0.927 63 L HN 1.077 nan 8.230 nan 0.000 0.446 64 G N -0.788 108.017 108.800 0.008 0.000 2.083 64 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.199 64 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.199 64 G C -1.797 173.112 174.900 0.015 0.000 2.367 64 G CA 0.132 45.228 45.100 -0.005 0.000 1.555 64 G HN 0.056 nan 8.290 nan 0.000 0.490 65 P HA 0.035 nan 4.420 nan 0.000 0.226 65 P C 1.314 178.669 177.300 0.092 0.000 1.153 65 P CA 1.768 64.910 63.100 0.071 0.000 0.777 65 P CB -0.006 31.758 31.700 0.107 0.000 0.794 66 E N 0.233 120.493 120.200 0.100 0.000 2.435 66 E HA -0.032 4.317 4.350 -0.002 0.000 0.195 66 E C 0.844 177.492 176.600 0.080 0.000 1.029 66 E CA -0.161 56.315 56.400 0.126 0.000 0.865 66 E CB -0.581 29.209 29.700 0.149 0.000 0.833 66 E HN 0.322 nan 8.360 nan 0.000 0.510 67 I N 2.653 123.250 120.570 0.045 0.000 2.304 67 I HA 0.251 4.420 4.170 -0.002 0.000 0.291 67 I C -2.511 173.609 176.117 0.005 0.000 1.018 67 I CA -2.684 58.627 61.300 0.018 0.000 1.260 67 I CB 1.247 39.247 38.000 0.001 0.000 1.390 67 I HN -0.244 nan 8.210 nan 0.000 0.475 68 P HA 0.144 nan 4.420 nan 0.000 0.268 68 P C -0.551 176.719 177.300 -0.050 0.000 1.204 68 P CA -0.056 63.035 63.100 -0.015 0.000 0.768 68 P CB 0.573 32.267 31.700 -0.009 0.000 0.842 69 L N 1.986 123.161 121.223 -0.079 0.000 2.476 69 L HA 0.099 4.439 4.340 -0.002 0.000 0.264 69 L C 1.906 178.683 176.870 -0.155 0.000 1.224 69 L CA -0.131 54.629 54.840 -0.135 0.000 0.821 69 L CB 0.007 41.955 42.059 -0.186 0.000 1.101 69 L HN 0.432 nan 8.230 nan 0.000 0.488 70 A N 2.550 125.257 122.820 -0.187 0.000 1.940 70 A HA -0.225 4.094 4.320 -0.002 0.000 0.219 70 A C 2.086 179.555 177.584 -0.192 0.000 1.176 70 A CA 2.149 54.090 52.037 -0.160 0.000 0.631 70 A CB -0.647 18.237 19.000 -0.194 0.000 0.814 70 A HN 0.903 nan 8.150 nan 0.000 0.446 71 M N -1.502 117.805 119.600 -0.488 0.000 2.213 71 M HA -0.104 4.375 4.480 -0.002 0.000 0.263 71 M C 0.778 176.658 176.300 -0.701 0.000 1.062 71 M CA 2.157 56.884 55.300 -0.955 0.000 1.105 71 M CB -0.815 30.968 32.600 -1.361 0.000 1.385 71 M HN 0.074 nan 8.290 nan 0.000 0.417 72 D N 1.451 121.637 120.400 -0.357 0.000 2.309 72 D HA -0.065 4.574 4.640 -0.002 0.000 0.212 72 D C 1.910 178.248 176.300 0.064 0.000 0.968 72 D CA 0.940 54.895 54.000 -0.076 0.000 0.882 72 D CB -0.229 40.554 40.800 -0.028 0.000 0.918 72 D HN 0.559 nan 8.370 nan 0.000 0.503 73 R N -0.434 120.116 120.500 0.084 0.000 2.275 73 R HA 0.044 4.383 4.340 -0.002 0.000 0.199 73 R C 0.224 176.634 176.300 0.184 0.000 0.989 73 R CA -0.162 56.002 56.100 0.108 0.000 1.016 73 R CB 0.038 30.369 30.300 0.051 0.000 0.918 73 R HN 0.050 nan 8.270 nan 0.000 0.473 74 F N 2.555 122.492 119.950 -0.022 0.000 2.538 74 F HA 0.078 4.604 4.527 -0.002 0.000 0.371 74 F C -0.937 174.873 175.800 0.017 0.000 1.087 74 F CA -2.318 55.704 58.000 0.037 0.000 1.250 74 F CB 0.511 39.597 39.000 0.144 0.000 1.110 74 F HN -0.106 nan 8.300 nan 0.000 0.570 75 P HA -0.141 nan 4.420 nan 0.000 0.219 75 P C -0.577 176.502 177.300 -0.369 0.000 1.150 75 P CA 1.414 64.323 63.100 -0.319 0.000 0.814 75 P CB 0.173 31.459 31.700 -0.689 0.000 0.787 76 Y N -0.794 119.641 120.300 0.226 0.000 2.364 76 Y HA 0.458 5.007 4.550 -0.002 0.000 0.340 76 Y C 0.227 176.228 175.900 0.168 0.000 0.975 76 Y CA -1.113 57.099 58.100 0.186 0.000 1.089 76 Y CB 1.905 40.478 38.460 0.189 0.000 1.192 76 Y HN -0.375 nan 8.280 nan 0.000 0.454 77 V N 2.814 122.863 119.914 0.224 0.000 2.656 77 V HA 0.921 5.040 4.120 -0.002 0.000 0.307 77 V C -0.477 175.619 176.094 0.004 0.000 1.051 77 V CA -0.785 61.527 62.300 0.020 0.000 0.893 77 V CB 1.707 33.484 31.823 -0.077 0.000 0.999 77 V HN 0.902 nan 8.190 nan 0.000 0.426 78 A N 4.455 127.228 122.820 -0.078 0.000 2.479 78 A HA 0.943 5.262 4.320 -0.002 0.000 0.296 78 A C -1.288 176.214 177.584 -0.136 0.000 1.121 78 A CA -0.716 51.257 52.037 -0.106 0.000 0.743 78 A CB 1.477 20.400 19.000 -0.128 0.000 1.323 78 A HN 0.734 nan 8.150 nan 0.000 0.415 79 L N 0.984 122.134 121.223 -0.123 0.000 2.325 79 L HA 0.592 4.931 4.340 -0.002 0.000 0.279 79 L C 0.481 177.307 176.870 -0.073 0.000 1.054 79 L CA -0.409 54.375 54.840 -0.093 0.000 0.804 79 L CB 1.825 43.843 42.059 -0.068 0.000 1.200 79 L HN 0.647 nan 8.230 nan 0.000 0.436 80 S N 2.767 118.447 115.700 -0.034 0.000 2.478 80 S HA 0.394 4.863 4.470 -0.002 0.000 0.312 80 S C -0.592 174.027 174.600 0.033 0.000 1.094 80 S CA -0.865 57.337 58.200 0.005 0.000 1.081 80 S CB 0.713 63.931 63.200 0.029 0.000 1.007 80 S HN 0.466 nan 8.310 nan 0.000 0.475 81 K N 3.246 123.674 120.400 0.046 0.000 2.285 81 K HA 0.216 4.535 4.320 -0.002 0.000 0.286 81 K C 0.976 177.609 176.600 0.054 0.000 1.072 81 K CA -0.251 56.096 56.287 0.099 0.000 0.913 81 K CB 0.887 33.492 32.500 0.175 0.000 1.067 81 K HN 0.785 nan 8.250 nan 0.000 0.479 82 T N -1.185 113.434 114.554 0.109 0.000 3.069 82 T HA -0.010 4.339 4.350 -0.002 0.000 0.252 82 T C 0.648 175.394 174.700 0.077 0.000 1.053 82 T CA -0.389 61.764 62.100 0.087 0.000 0.964 82 T CB -0.439 68.521 68.868 0.153 0.000 1.005 82 T HN 0.504 nan 8.240 nan 0.000 0.532 83 Y N 2.311 122.686 120.300 0.125 0.000 2.805 83 Y HA 0.285 4.834 4.550 -0.002 0.000 0.337 83 Y C 0.090 176.077 175.900 0.146 0.000 1.252 83 Y CA -1.638 56.550 58.100 0.146 0.000 1.515 83 Y CB -0.575 37.973 38.460 0.148 0.000 1.305 83 Y HN 0.043 nan 8.280 nan 0.000 0.600 84 N N 1.687 120.538 118.700 0.250 0.000 2.408 84 N HA 0.205 4.944 4.740 -0.002 0.000 0.260 84 N C 0.700 176.371 175.510 0.268 0.000 1.242 84 N CA -0.567 52.587 53.050 0.174 0.000 0.959 84 N CB 1.243 39.859 38.487 0.214 0.000 1.201 84 N HN 0.547 nan 8.380 nan 0.000 0.511 85 V N 0.559 120.581 119.914 0.180 0.000 2.392 85 V HA -0.229 3.890 4.120 -0.002 0.000 0.249 85 V C 1.519 177.711 176.094 0.163 0.000 1.059 85 V CA 1.958 64.381 62.300 0.204 0.000 1.051 85 V CB -0.609 31.289 31.823 0.126 0.000 0.658 85 V HN 0.827 nan 8.190 nan 0.000 0.455 86 D N -1.369 119.099 120.400 0.113 0.000 2.389 86 D HA 0.045 4.684 4.640 -0.002 0.000 0.206 86 D C 0.637 176.907 176.300 -0.051 0.000 1.055 86 D CA 0.226 54.243 54.000 0.029 0.000 0.856 86 D CB 0.276 41.088 40.800 0.020 0.000 0.957 86 D HN 0.363 nan 8.370 nan 0.000 0.509 87 K N -0.471 119.933 120.400 0.006 0.000 2.501 87 K HA 0.280 4.599 4.320 -0.002 0.000 0.252 87 K C -0.107 176.553 176.600 0.100 0.000 0.934 87 K CA -0.653 55.581 56.287 -0.090 0.000 0.797 87 K CB 1.997 34.355 32.500 -0.237 0.000 1.270 87 K HN -0.077 nan 8.250 nan 0.000 0.431 88 H N -0.156 118.939 119.070 0.041 0.000 2.389 88 H HA -0.013 4.542 4.556 -0.001 0.000 0.299 88 H C 0.405 175.810 175.328 0.127 0.000 1.081 88 H CA 0.539 56.639 56.048 0.088 0.000 1.345 88 H CB 0.525 30.299 29.762 0.020 0.000 1.393 88 H HN 0.030 nan 8.280 nan 0.000 0.520 89 V N 4.206 124.246 119.914 0.210 0.000 2.333 89 V HA 0.181 4.300 4.120 -0.002 0.000 0.274 89 V C -1.910 174.336 176.094 0.252 0.000 1.028 89 V CA -1.602 60.811 62.300 0.188 0.000 0.851 89 V CB 1.473 33.372 31.823 0.127 0.000 1.000 89 V HN 0.148 nan 8.190 nan 0.000 0.456 90 P HA 0.388 nan 4.420 nan 0.000 0.281 90 P C -1.135 176.340 177.300 0.292 0.000 1.281 90 P CA -0.357 62.952 63.100 0.348 0.000 0.811 90 P CB 1.496 33.335 31.700 0.231 0.000 1.154 94 A N 1.109 123.865 122.820 -0.107 0.000 2.016 94 A HA 0.218 4.537 4.320 -0.002 0.000 0.217 94 A C 2.515 180.077 177.584 -0.037 0.000 1.162 94 A CA 2.783 54.782 52.037 -0.063 0.000 0.662 94 A CB -0.927 18.062 19.000 -0.018 0.000 0.812 94 A HN 0.957 nan 8.150 nan 0.000 0.450 95 T N -1.806 112.762 114.554 0.024 0.000 2.777 95 T HA 0.022 4.371 4.350 -0.002 0.000 0.266 95 T C 1.995 176.611 174.700 -0.140 0.000 1.040 95 T CA 1.465 63.630 62.100 0.108 0.000 1.141 95 T CB -0.646 68.408 68.868 0.311 0.000 0.868 95 T HN 0.511 nan 8.240 nan 0.000 0.444 96 A N 1.968 124.610 122.820 -0.297 0.000 1.908 96 A HA -0.111 4.208 4.320 -0.002 0.000 0.218 96 A C 2.636 179.838 177.584 -0.637 0.000 1.181 96 A CA 2.338 53.881 52.037 -0.824 0.000 0.627 96 A CB -1.666 17.119 19.000 -0.360 0.000 0.818 96 A HN 0.573 nan 8.150 nan 0.000 0.445 97 T N 0.382 114.743 114.554 -0.321 0.000 2.720 97 T HA -0.077 4.272 4.350 -0.002 0.000 0.268 97 T C 2.186 176.788 174.700 -0.162 0.000 1.037 97 T CA 1.749 63.728 62.100 -0.203 0.000 1.144 97 T CB -0.508 68.293 68.868 -0.111 0.000 0.864 97 T HN 0.639 nan 8.240 nan 0.000 0.444 98 A N 1.721 124.461 122.820 -0.134 0.000 1.845 98 A HA -0.078 4.241 4.320 -0.002 0.000 0.215 98 A C 2.164 179.772 177.584 0.040 0.000 1.195 98 A CA 1.817 53.846 52.037 -0.013 0.000 0.616 98 A CB -1.054 17.970 19.000 0.040 0.000 0.832 98 A HN 0.774 nan 8.150 nan 0.000 0.443 99 Y N -1.489 118.869 120.300 0.096 0.000 2.544 99 Y HA 0.423 4.972 4.550 -0.001 0.000 0.286 99 Y C 1.345 177.333 175.900 0.146 0.000 1.141 99 Y CA 0.478 58.657 58.100 0.133 0.000 1.299 99 Y CB -0.372 38.177 38.460 0.149 0.000 1.030 99 Y HN 0.126 nan 8.280 nan 0.000 0.543 100 L N -1.648 119.500 121.223 -0.125 0.000 2.609 100 L HA 0.130 4.469 4.340 -0.002 0.000 0.230 100 L C 1.239 178.070 176.870 -0.065 0.000 1.064 100 L CA 0.217 55.044 54.840 -0.021 0.000 0.873 100 L CB 0.163 42.137 42.059 -0.141 0.000 1.139 100 L HN 0.231 nan 8.230 nan 0.000 0.490 101 C N -0.440 118.802 119.300 -0.098 0.000 3.188 101 C HA 0.471 4.930 4.460 -0.002 0.000 0.315 101 C C 1.636 176.583 174.990 -0.072 0.000 1.285 101 C CA 0.105 59.074 59.018 -0.083 0.000 1.729 101 C CB 0.024 27.724 27.740 -0.068 0.000 2.257 101 C HN 0.732 nan 8.230 nan 0.000 0.645 102 G N 0.964 109.755 108.800 -0.015 0.000 2.132 102 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.234 102 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.234 102 G C -0.202 174.838 174.900 0.234 0.000 0.989 102 G CA 0.417 45.570 45.100 0.088 0.000 0.676 102 G HN 0.472 nan 8.290 nan 0.000 0.522 103 V N 0.390 120.366 119.914 0.103 0.000 2.808 103 V HA 0.461 4.580 4.120 -0.002 0.000 0.308 103 V C 0.280 176.394 176.094 0.034 0.000 1.099 103 V CA -1.319 61.030 62.300 0.082 0.000 0.920 103 V CB 1.995 33.852 31.823 0.055 0.000 1.014 103 V HN 0.283 nan 8.190 nan 0.000 0.425 104 K N 2.033 122.449 120.400 0.026 0.000 2.237 104 K HA 0.655 4.974 4.320 -0.002 0.000 0.270 104 K C 0.318 176.925 176.600 0.013 0.000 1.015 104 K CA -0.045 56.240 56.287 -0.004 0.000 0.949 104 K CB 1.611 34.083 32.500 -0.046 0.000 0.976 104 K HN 0.910 nan 8.250 nan 0.000 0.472 105 G N 1.138 109.945 108.800 0.010 0.000 3.015 105 G HA2 0.258 4.217 3.960 -0.002 0.000 0.281 105 G HA3 0.258 4.217 3.960 -0.002 0.000 0.281 105 G C -1.002 173.928 174.900 0.050 0.000 1.386 105 G CA -0.687 44.426 45.100 0.021 0.000 0.959 105 G HN 0.463 nan 8.290 nan 0.000 0.522 106 N N -0.239 118.495 118.700 0.057 0.000 2.498 106 N HA 0.240 4.979 4.740 -0.002 0.000 0.287 106 N C -0.386 175.189 175.510 0.107 0.000 1.097 106 N CA -0.429 52.678 53.050 0.095 0.000 0.973 106 N CB 1.632 40.173 38.487 0.091 0.000 1.153 106 N HN 0.379 nan 8.380 nan 0.000 0.472 107 F N 2.098 122.017 119.950 -0.052 0.000 2.500 107 F HA -0.247 4.279 4.527 -0.002 0.000 0.409 107 F C 1.410 177.095 175.800 -0.192 0.000 0.982 107 F CA 1.306 59.237 58.000 -0.114 0.000 1.163 107 F CB 0.123 39.034 39.000 -0.149 0.000 0.942 107 F HN 0.603 nan 8.300 nan 0.000 0.535 108 Q N 0.805 120.332 119.800 -0.456 0.000 2.342 108 Q HA -0.231 4.108 4.340 -0.002 0.000 0.196 108 Q C 0.319 176.238 176.000 -0.135 0.000 0.629 108 Q CA 1.077 56.622 55.803 -0.430 0.000 1.365 108 Q CB -1.771 26.526 28.738 -0.735 0.000 1.406 108 Q HN 0.829 nan 8.270 nan 0.000 0.840 109 T N -1.559 112.950 114.554 -0.074 0.000 2.927 109 T HA 0.800 5.149 4.350 -0.002 0.000 0.281 109 T C 0.146 174.776 174.700 -0.117 0.000 0.998 109 T CA -0.749 61.312 62.100 -0.066 0.000 1.019 109 T CB 1.652 70.512 68.868 -0.013 0.000 1.061 109 T HN 0.228 nan 8.240 nan 0.000 0.518 110 I N 0.442 120.935 120.570 -0.127 0.000 2.569 110 I HA 0.545 4.714 4.170 -0.002 0.000 0.290 110 I C 0.982 177.029 176.117 -0.117 0.000 1.088 110 I CA -0.861 60.343 61.300 -0.159 0.000 1.047 110 I CB 1.900 39.764 38.000 -0.226 0.000 1.237 110 I HN 1.074 nan 8.210 nan 0.000 0.421 111 G N 5.228 113.963 108.800 -0.108 0.000 2.198 111 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.260 111 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.260 111 G C -0.426 174.558 174.900 0.140 0.000 1.025 111 G CA 0.044 45.144 45.100 0.001 0.000 0.769 111 G HN 0.466 nan 8.290 nan 0.000 0.507 112 L N 0.431 121.674 121.223 0.033 0.000 2.401 112 L HA 0.629 4.968 4.340 -0.002 0.000 0.266 112 L C 1.041 177.915 176.870 0.006 0.000 0.991 112 L CA -0.596 54.257 54.840 0.022 0.000 0.818 112 L CB 2.088 44.154 42.059 0.011 0.000 1.321 112 L HN 0.353 nan 8.230 nan 0.000 0.413 113 S N 1.162 116.864 115.700 0.004 0.000 2.587 113 S HA 0.252 4.721 4.470 -0.002 0.000 0.260 113 S C 1.001 175.611 174.600 0.017 0.000 1.353 113 S CA 0.119 58.326 58.200 0.010 0.000 0.995 113 S CB 1.252 64.456 63.200 0.008 0.000 0.912 113 S HN 0.734 nan 8.310 nan 0.000 0.568 114 A N 0.427 123.263 122.820 0.027 0.000 2.252 114 A HA 0.482 4.802 4.320 -0.002 0.000 0.207 114 A C 1.993 179.596 177.584 0.031 0.000 1.194 114 A CA 0.613 52.671 52.037 0.036 0.000 0.809 114 A CB -1.316 17.713 19.000 0.049 0.000 0.814 114 A HN 1.232 nan 8.150 nan 0.000 0.482 115 A N -0.202 122.631 122.820 0.022 0.000 2.066 115 A HA 0.479 4.799 4.320 -0.002 0.000 0.218 115 A C 1.519 179.112 177.584 0.015 0.000 1.157 115 A CA 0.885 52.933 52.037 0.017 0.000 0.670 115 A CB -0.551 18.455 19.000 0.010 0.000 0.804 115 A HN 0.883 nan 8.150 nan 0.000 0.453 116 A N -0.043 122.786 122.820 0.015 0.000 2.346 116 A HA 0.600 4.919 4.320 -0.002 0.000 0.252 116 A C 0.304 177.903 177.584 0.026 0.000 1.089 116 A CA -0.276 51.769 52.037 0.013 0.000 0.797 116 A CB 0.309 19.312 19.000 0.005 0.000 1.047 116 A HN 0.315 nan 8.150 nan 0.000 0.494 117 R N -0.191 120.322 120.500 0.021 0.000 2.628 117 R HA 0.286 4.625 4.340 -0.002 0.000 0.288 117 R C -1.111 175.212 176.300 0.039 0.000 0.980 117 R CA -0.680 55.448 56.100 0.046 0.000 0.891 117 R CB 1.246 31.566 30.300 0.033 0.000 1.188 117 R HN 0.695 nan 8.270 nan 0.000 0.450 118 F N 3.544 123.461 119.950 -0.056 0.000 2.623 118 F HA -0.128 4.398 4.527 -0.001 0.000 0.383 118 F C 1.164 176.892 175.800 -0.120 0.000 1.077 118 F CA 0.518 58.454 58.000 -0.107 0.000 1.268 118 F CB 0.203 39.165 39.000 -0.063 0.000 1.053 118 F HN 0.814 nan 8.300 nan 0.000 0.571 119 N N 2.758 120.798 118.700 -1.100 0.000 2.741 119 N HA -0.265 4.474 4.740 -0.002 0.000 0.251 119 N C -0.979 174.333 175.510 -0.330 0.000 1.112 119 N CA 1.434 53.901 53.050 -0.971 0.000 0.750 119 N CB -1.215 36.498 38.487 -1.291 0.000 1.119 119 N HN 0.839 nan 8.380 nan 0.000 0.561 120 Q N -0.257 119.423 119.800 -0.199 0.000 2.571 120 Q HA 0.269 4.608 4.340 -0.002 0.000 0.243 120 Q C 0.951 176.957 176.000 0.010 0.000 1.055 120 Q CA -0.152 55.621 55.803 -0.050 0.000 0.815 120 Q CB 0.612 29.328 28.738 -0.037 0.000 1.151 120 Q HN 0.443 nan 8.270 nan 0.000 0.519 121 c N 2.991 121.654 118.600 0.106 0.000 2.403 121 c HA -0.165 4.404 4.570 -0.002 0.000 0.277 121 c C 1.877 176.005 174.090 0.064 0.000 1.248 121 c CA 1.767 58.184 56.329 0.147 0.000 1.762 121 c CB -0.524 42.089 42.510 0.173 0.000 2.014 121 c HN 0.910 nan 8.230 nan 0.000 0.486 122 N N 0.529 119.251 118.700 0.036 0.000 2.515 122 N HA -0.055 4.684 4.740 -0.002 0.000 0.191 122 N C 0.939 176.456 175.510 0.011 0.000 1.182 122 N CA 1.419 54.480 53.050 0.018 0.000 0.879 122 N CB -1.092 37.401 38.487 0.009 0.000 0.984 122 N HN 0.734 nan 8.380 nan 0.000 0.453 123 T N -5.899 108.661 114.554 0.011 0.000 3.134 123 T HA 0.195 4.544 4.350 -0.002 0.000 0.260 123 T C 1.079 175.782 174.700 0.004 0.000 1.027 123 T CA -0.194 61.909 62.100 0.005 0.000 0.913 123 T CB -0.233 68.637 68.868 0.003 0.000 1.046 123 T HN -0.024 nan 8.240 nan 0.000 0.553 124 T N 1.855 116.415 114.554 0.010 0.000 2.770 124 T HA 0.122 4.471 4.350 -0.002 0.000 0.258 124 T C 1.044 175.739 174.700 -0.008 0.000 1.039 124 T CA 0.533 62.639 62.100 0.010 0.000 1.143 124 T CB -0.066 68.823 68.868 0.035 0.000 0.866 124 T HN 0.364 nan 8.240 nan 0.000 0.428 125 R N 0.941 121.436 120.500 -0.009 0.000 2.491 125 R HA 0.390 4.729 4.340 -0.002 0.000 0.283 125 R C 1.335 177.617 176.300 -0.030 0.000 1.072 125 R CA 0.720 56.806 56.100 -0.024 0.000 1.048 125 R CB 0.393 30.683 30.300 -0.017 0.000 0.983 125 R HN 0.576 nan 8.270 nan 0.000 0.450 126 G N 2.367 111.138 108.800 -0.047 0.000 2.234 126 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.235 126 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.235 126 G C 0.490 175.360 174.900 -0.050 0.000 0.997 126 G CA -0.096 44.978 45.100 -0.044 0.000 0.623 126 G HN 0.612 nan 8.290 nan 0.000 0.514 127 N N 1.045 119.714 118.700 -0.053 0.000 2.205 127 N HA 0.203 4.943 4.740 -0.002 0.000 0.201 127 N C 0.113 175.580 175.510 -0.072 0.000 1.128 127 N CA 0.256 53.279 53.050 -0.045 0.000 0.867 127 N CB 0.446 38.921 38.487 -0.021 0.000 0.996 127 N HN 0.587 nan 8.380 nan 0.000 0.503 128 E N 0.512 120.623 120.200 -0.150 0.000 2.376 128 E HA 0.178 4.527 4.350 -0.002 0.000 0.266 128 E C -0.331 176.141 176.600 -0.214 0.000 1.009 128 E CA 0.154 56.365 56.400 -0.314 0.000 0.902 128 E CB 1.141 30.447 29.700 -0.657 0.000 0.972 128 E HN -0.148 nan 8.360 nan 0.000 0.439 129 V N 4.564 124.423 119.914 -0.093 0.000 2.540 129 V HA 0.277 4.396 4.120 -0.002 0.000 0.302 129 V C -0.253 175.888 176.094 0.079 0.000 1.035 129 V CA -0.984 61.304 62.300 -0.020 0.000 0.873 129 V CB 1.382 33.207 31.823 0.004 0.000 0.992 129 V HN 0.561 nan 8.190 nan 0.000 0.428 130 I N 3.727 124.315 120.570 0.029 0.000 2.428 130 I HA 0.283 4.452 4.170 -0.002 0.000 0.289 130 I C 0.989 177.100 176.117 -0.010 0.000 1.019 130 I CA 0.342 61.679 61.300 0.063 0.000 1.351 130 I CB 1.581 39.584 38.000 0.005 0.000 1.412 130 I HN 0.835 nan 8.210 nan 0.000 0.513 131 S N 5.142 120.818 115.700 -0.040 0.000 2.600 131 S HA 0.256 4.725 4.470 -0.002 0.000 0.265 131 S C 1.223 175.725 174.600 -0.163 0.000 1.325 131 S CA -0.786 57.338 58.200 -0.126 0.000 1.002 131 S CB 1.490 64.576 63.200 -0.189 0.000 0.921 131 S HN 0.362 nan 8.310 nan 0.000 0.554 132 V N 2.132 121.936 119.914 -0.184 0.000 2.407 132 V HA -0.207 3.912 4.120 -0.002 0.000 0.248 132 V C 2.491 178.322 176.094 -0.439 0.000 1.055 132 V CA 2.347 64.533 62.300 -0.190 0.000 1.049 132 V CB -1.059 30.759 31.823 -0.007 0.000 0.662 132 V HN 0.969 nan 8.190 nan 0.000 0.455 133 M N 0.407 119.498 119.600 -0.848 0.000 2.108 133 M HA -0.227 4.252 4.480 -0.002 0.000 0.261 133 M C 2.297 178.380 176.300 -0.362 0.000 1.066 133 M CA 2.149 56.848 55.300 -1.001 0.000 1.107 133 M CB -0.451 31.613 32.600 -0.893 0.000 1.356 133 M HN 0.469 nan 8.290 nan 0.000 0.406 134 N N 0.577 119.143 118.700 -0.225 0.000 2.104 134 N HA -0.195 4.544 4.740 -0.002 0.000 0.190 134 N C 1.608 177.077 175.510 -0.069 0.000 1.024 134 N CA 1.705 54.700 53.050 -0.091 0.000 0.853 134 N CB -0.196 38.266 38.487 -0.041 0.000 1.008 134 N HN 0.452 nan 8.380 nan 0.000 0.424 135 R N 0.254 120.701 120.500 -0.089 0.000 2.115 135 R HA 0.034 4.373 4.340 -0.002 0.000 0.230 135 R C 2.335 178.618 176.300 -0.028 0.000 1.111 135 R CA 1.138 57.208 56.100 -0.051 0.000 0.976 135 R CB -0.275 29.994 30.300 -0.052 0.000 0.870 135 R HN 0.241 nan 8.270 nan 0.000 0.445 136 A N 1.611 124.404 122.820 -0.044 0.000 1.902 136 A HA -0.228 4.091 4.320 -0.002 0.000 0.217 136 A C 2.051 179.658 177.584 0.037 0.000 1.181 136 A CA 1.653 53.704 52.037 0.025 0.000 0.623 136 A CB -0.307 18.744 19.000 0.086 0.000 0.818 136 A HN 0.080 nan 8.150 nan 0.000 0.443 137 K N 0.562 120.974 120.400 0.020 0.000 2.057 137 K HA -0.155 4.164 4.320 -0.002 0.000 0.207 137 K C 1.954 178.574 176.600 0.034 0.000 1.049 137 K CA 2.222 58.534 56.287 0.042 0.000 0.931 137 K CB -0.384 32.140 32.500 0.041 0.000 0.714 137 K HN 0.438 nan 8.250 nan 0.000 0.440 138 K N -0.503 119.907 120.400 0.017 0.000 2.147 138 K HA -0.044 4.276 4.320 -0.002 0.000 0.205 138 K C 1.409 178.018 176.600 0.016 0.000 1.049 138 K CA 1.320 57.615 56.287 0.014 0.000 0.936 138 K CB -0.262 32.240 32.500 0.003 0.000 0.722 138 K HN 0.224 nan 8.250 nan 0.000 0.446 139 A N -0.139 122.692 122.820 0.019 0.000 2.259 139 A HA 0.223 4.542 4.320 -0.002 0.000 0.208 139 A C 1.207 178.808 177.584 0.029 0.000 1.201 139 A CA 0.689 52.738 52.037 0.020 0.000 0.824 139 A CB -0.426 18.585 19.000 0.019 0.000 0.838 139 A HN 0.553 nan 8.150 nan 0.000 0.485 140 G N -0.634 108.188 108.800 0.037 0.000 2.157 140 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.248 140 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.248 140 G C 0.195 175.131 174.900 0.059 0.000 0.979 140 G CA 0.386 45.512 45.100 0.043 0.000 0.650 140 G HN 0.569 nan 8.290 nan 0.000 0.529 141 K N 0.740 121.184 120.400 0.073 0.000 2.126 141 K HA 0.537 4.856 4.320 -0.002 0.000 0.257 141 K C 0.525 177.203 176.600 0.130 0.000 1.007 141 K CA -0.175 56.176 56.287 0.108 0.000 0.928 141 K CB 0.837 33.412 32.500 0.126 0.000 1.013 141 K HN 0.153 nan 8.250 nan 0.000 0.473 142 S N 0.717 116.517 115.700 0.166 0.000 2.601 142 S HA 0.310 4.779 4.470 -0.002 0.000 0.271 142 S C -0.355 174.382 174.600 0.229 0.000 1.305 142 S CA -0.973 57.318 58.200 0.151 0.000 1.022 142 S CB 1.073 64.340 63.200 0.112 0.000 0.940 142 S HN 0.446 nan 8.310 nan 0.000 0.525 143 V N -0.731 119.295 119.914 0.187 0.000 2.789 143 V HA 1.037 5.156 4.120 -0.002 0.000 0.311 143 V C -0.144 176.082 176.094 0.219 0.000 1.073 143 V CA -0.660 61.795 62.300 0.258 0.000 0.921 143 V CB 1.508 33.454 31.823 0.205 0.000 1.009 143 V HN 0.937 nan 8.190 nan 0.000 0.426 144 G N 1.738 110.707 108.800 0.282 0.000 2.638 144 G HA2 0.663 4.622 3.960 -0.002 0.000 0.302 144 G HA3 0.663 4.622 3.960 -0.002 0.000 0.302 144 G C -1.680 173.405 174.900 0.308 0.000 1.365 144 G CA -0.774 44.458 45.100 0.220 0.000 0.987 144 G HN 1.129 nan 8.290 nan 0.000 0.495 145 V N 1.481 121.559 119.914 0.274 0.000 2.444 145 V HA 0.605 4.724 4.120 -0.002 0.000 0.294 145 V C -0.513 175.784 176.094 0.339 0.000 1.022 145 V CA -0.635 61.889 62.300 0.373 0.000 0.850 145 V CB 1.562 33.545 31.823 0.267 0.000 0.992 145 V HN 0.600 nan 8.190 nan 0.000 0.426 146 V N 3.925 124.086 119.914 0.412 0.000 2.577 146 V HA 0.825 4.944 4.120 -0.002 0.000 0.303 146 V C -0.209 176.061 176.094 0.294 0.000 1.042 146 V CA -0.215 62.253 62.300 0.280 0.000 0.872 146 V CB 2.125 34.055 31.823 0.178 0.000 0.998 146 V HN 0.948 nan 8.190 nan 0.000 0.423 147 T N 1.326 116.036 114.554 0.260 0.000 2.885 147 T HA 0.334 4.683 4.350 -0.002 0.000 0.322 147 T C 0.750 175.545 174.700 0.159 0.000 1.387 147 T CA 0.378 62.611 62.100 0.222 0.000 1.041 147 T CB 1.991 71.055 68.868 0.327 0.000 1.287 147 T HN 0.844 nan 8.240 nan 0.000 0.491 148 T N -0.090 114.514 114.554 0.084 0.000 3.113 148 T HA 0.207 4.556 4.350 -0.002 0.000 0.256 148 T C 1.150 175.857 174.700 0.011 0.000 1.131 148 T CA 0.785 62.909 62.100 0.040 0.000 1.074 148 T CB -0.612 68.243 68.868 -0.021 0.000 0.944 148 T HN 0.845 nan 8.240 nan 0.000 0.516 149 T N -0.209 114.353 114.554 0.014 0.000 2.849 149 T HA 0.494 4.843 4.350 -0.002 0.000 0.276 149 T C 0.174 174.938 174.700 0.105 0.000 0.971 149 T CA -1.151 60.940 62.100 -0.016 0.000 0.949 149 T CB 0.739 69.503 68.868 -0.174 0.000 1.093 149 T HN 0.201 nan 8.240 nan 0.000 0.545 150 R N 0.459 121.036 120.500 0.128 0.000 2.538 150 R HA 0.108 4.447 4.340 -0.002 0.000 0.273 150 R C 1.718 178.181 176.300 0.271 0.000 0.967 150 R CA 0.411 56.644 56.100 0.222 0.000 1.101 150 R CB 0.148 30.614 30.300 0.276 0.000 0.908 150 R HN 0.637 nan 8.270 nan 0.000 0.411 151 V N 0.526 120.588 119.914 0.247 0.000 3.141 151 V HA -0.161 3.958 4.120 -0.002 0.000 0.265 151 V C 0.993 177.281 176.094 0.322 0.000 1.126 151 V CA 1.168 63.620 62.300 0.253 0.000 1.141 151 V CB -0.255 31.665 31.823 0.161 0.000 0.743 151 V HN 0.679 nan 8.190 nan 0.000 0.492 152 Q N -0.786 119.214 119.800 0.333 0.000 2.360 152 Q HA 0.242 4.581 4.340 -0.002 0.000 0.202 152 Q C 1.023 177.245 176.000 0.370 0.000 0.915 152 Q CA 0.049 56.059 55.803 0.346 0.000 0.943 152 Q CB -0.259 28.660 28.738 0.302 0.000 1.064 152 Q HN 0.783 nan 8.270 nan 0.000 0.511 153 H N -0.537 118.706 119.070 0.288 0.000 2.730 153 H HA 0.154 4.709 4.556 -0.001 0.000 0.376 153 H C 1.017 176.434 175.328 0.148 0.000 1.299 153 H CA 0.494 56.724 56.048 0.304 0.000 1.447 153 H CB 1.102 31.024 29.762 0.266 0.000 1.493 153 H HN 0.236 nan 8.280 nan 0.000 0.619 154 A N 2.299 125.089 122.820 -0.050 0.000 1.908 154 A HA -0.192 4.127 4.320 -0.002 0.000 0.218 154 A C 2.529 180.110 177.584 -0.004 0.000 1.181 154 A CA 2.046 54.035 52.037 -0.079 0.000 0.627 154 A CB -0.691 18.248 19.000 -0.101 0.000 0.818 154 A HN 0.697 nan 8.150 nan 0.000 0.445 155 S N 0.301 116.109 115.700 0.180 0.000 2.338 155 S HA -0.078 4.391 4.470 -0.002 0.000 0.218 155 S C -0.233 174.320 174.600 -0.078 0.000 1.032 155 S CA 1.438 59.776 58.200 0.229 0.000 0.999 155 S CB -1.283 62.223 63.200 0.511 0.000 0.905 155 S HN 0.600 nan 8.310 nan 0.000 0.439 156 P HA 0.011 nan 4.420 nan 0.000 0.218 156 P C 1.263 178.284 177.300 -0.464 0.000 1.149 156 P CA 1.407 64.237 63.100 -0.450 0.000 0.817 156 P CB -0.155 31.588 31.700 0.071 0.000 0.785 157 A N 0.602 123.166 122.820 -0.427 0.000 2.019 157 A HA -0.062 4.257 4.320 -0.002 0.000 0.219 157 A C 2.572 179.632 177.584 -0.874 0.000 1.164 157 A CA 1.841 53.331 52.037 -0.911 0.000 0.644 157 A CB -1.935 16.769 19.000 -0.492 0.000 0.805 157 A HN 0.301 nan 8.150 nan 0.000 0.449 158 G N -0.343 108.128 108.800 -0.548 0.000 2.479 158 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.220 158 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.220 158 G C 1.610 176.238 174.900 -0.453 0.000 1.115 158 G CA 1.843 46.667 45.100 -0.460 0.000 0.757 158 G HN 0.712 nan 8.290 nan 0.000 0.560 159 T N -2.208 112.051 114.554 -0.491 0.000 3.023 159 T HA 0.005 4.354 4.350 -0.002 0.000 0.266 159 T C 1.848 176.426 174.700 -0.204 0.000 1.093 159 T CA 1.366 63.281 62.100 -0.308 0.000 1.129 159 T CB -0.309 68.431 68.868 -0.213 0.000 0.899 159 T HN 0.717 nan 8.240 nan 0.000 0.491 160 Y N -0.420 119.724 120.300 -0.259 0.000 2.438 160 Y HA 0.801 5.350 4.550 -0.002 0.000 0.274 160 Y C 0.686 176.369 175.900 -0.361 0.000 1.085 160 Y CA -0.943 57.016 58.100 -0.236 0.000 1.199 160 Y CB 0.029 38.409 38.460 -0.134 0.000 1.317 160 Y HN 0.304 nan 8.280 nan 0.000 0.545 161 A N 1.543 123.937 122.820 -0.710 0.000 2.281 161 A HA 0.728 5.047 4.320 -0.002 0.000 0.329 161 A C -1.203 175.918 177.584 -0.771 0.000 1.122 161 A CA -0.541 51.173 52.037 -0.538 0.000 0.850 161 A CB 0.407 19.134 19.000 -0.455 0.000 1.207 161 A HN 0.489 nan 8.150 nan 0.000 0.495 162 H N 0.159 119.185 119.070 -0.073 0.000 3.013 162 H HA 0.569 5.124 4.556 -0.002 0.000 0.326 162 H C -1.143 174.157 175.328 -0.046 0.000 0.973 162 H CA -0.172 55.834 56.048 -0.069 0.000 1.369 162 H CB 1.578 31.316 29.762 -0.040 0.000 1.598 162 H HN 0.649 nan 8.280 nan 0.000 0.518 163 T N 1.135 115.689 114.554 0.001 0.000 2.982 163 T HA 0.175 4.524 4.350 -0.002 0.000 0.321 163 T C 0.992 175.613 174.700 -0.131 0.000 1.229 163 T CA -0.549 61.531 62.100 -0.033 0.000 1.044 163 T CB 1.231 70.068 68.868 -0.051 0.000 1.184 163 T HN 0.333 nan 8.240 nan 0.000 0.477 164 V N 1.543 121.343 119.914 -0.192 0.000 3.380 164 V HA 0.434 4.553 4.120 -0.002 0.000 0.268 164 V C 0.626 176.410 176.094 -0.515 0.000 1.168 164 V CA 0.549 62.687 62.300 -0.271 0.000 1.156 164 V CB -0.662 31.022 31.823 -0.232 0.000 0.785 164 V HN 0.683 nan 8.190 nan 0.000 0.487 165 N N 1.187 119.403 118.700 -0.806 0.000 2.581 165 N HA 0.260 4.999 4.740 -0.002 0.000 0.279 165 N C 1.065 176.154 175.510 -0.701 0.000 1.124 165 N CA -0.339 52.120 53.050 -0.985 0.000 0.833 165 N CB 1.882 39.038 38.487 -2.218 0.000 1.338 165 N HN 0.491 nan 8.380 nan 0.000 0.533 166 R N 2.028 122.291 120.500 -0.395 0.000 2.200 166 R HA -0.017 4.322 4.340 -0.002 0.000 0.234 166 R C 0.143 176.079 176.300 -0.607 0.000 1.127 166 R CA 1.089 56.942 56.100 -0.412 0.000 0.989 166 R CB -0.149 29.951 30.300 -0.332 0.000 0.869 166 R HN 0.278 nan 8.270 nan 0.000 0.459 167 N N 0.024 118.397 118.700 -0.545 0.000 2.521 167 N HA -0.066 4.673 4.740 -0.002 0.000 0.188 167 N C -0.524 174.724 175.510 -0.438 0.000 1.146 167 N CA 0.507 53.231 53.050 -0.543 0.000 0.893 167 N CB 0.103 38.489 38.487 -0.168 0.000 0.975 167 N HN 0.316 nan 8.380 nan 0.000 0.451 168 W N 1.461 122.459 121.300 -0.502 0.000 1.518 168 W HA 0.234 4.892 4.660 -0.003 0.000 0.426 168 W C 0.468 176.772 176.519 -0.359 0.000 0.675 168 W CA -1.309 55.839 57.345 -0.329 0.000 1.936 168 W CB -1.276 28.060 29.460 -0.207 0.000 1.749 168 W HN 0.057 nan 8.180 nan 0.000 0.247 169 Y N 0.491 120.735 120.300 -0.093 0.000 2.163 169 Y HA -0.170 4.380 4.550 -0.001 0.000 0.288 169 Y C 1.907 177.607 175.900 -0.334 0.000 1.136 169 Y CA 1.550 59.382 58.100 -0.447 0.000 1.147 169 Y CB -0.535 37.202 38.460 -1.205 0.000 0.987 169 Y HN 0.032 nan 8.280 nan 0.000 0.509 170 S N -1.008 114.691 115.700 -0.000 0.000 2.740 170 S HA 0.187 4.656 4.470 -0.002 0.000 0.300 170 S C 0.643 175.256 174.600 0.022 0.000 1.147 170 S CA -0.295 57.952 58.200 0.078 0.000 0.871 170 S CB 1.578 64.919 63.200 0.236 0.000 1.173 170 S HN 0.322 nan 8.310 nan 0.000 0.510 171 D N 0.941 121.341 120.400 0.000 0.000 2.182 171 D HA -0.138 4.501 4.640 -0.002 0.000 0.201 171 D C 1.869 178.128 176.300 -0.068 0.000 0.986 171 D CA 1.500 55.461 54.000 -0.065 0.000 0.847 171 D CB -0.929 39.840 40.800 -0.051 0.000 0.942 171 D HN 0.665 nan 8.370 nan 0.000 0.467 172 A N 1.077 123.900 122.820 0.005 0.000 2.024 172 A HA -0.184 4.135 4.320 -0.002 0.000 0.220 172 A C 1.783 179.370 177.584 0.005 0.000 1.164 172 A CA 1.685 53.734 52.037 0.020 0.000 0.643 172 A CB -0.260 18.787 19.000 0.079 0.000 0.806 172 A HN 0.150 nan 8.150 nan 0.000 0.451 173 D N -0.713 119.688 120.400 0.002 0.000 2.333 173 D HA 0.091 4.730 4.640 -0.002 0.000 0.208 173 D C 0.177 176.354 176.300 -0.205 0.000 0.984 173 D CA 0.365 54.377 54.000 0.020 0.000 0.873 173 D CB 0.134 41.024 40.800 0.150 0.000 0.935 173 D HN 0.198 nan 8.370 nan 0.000 0.521 174 V N 3.540 123.181 119.914 -0.456 0.000 2.432 174 V HA 0.168 4.287 4.120 -0.002 0.000 0.271 174 V C -2.055 173.716 176.094 -0.538 0.000 1.046 174 V CA -1.526 60.207 62.300 -0.944 0.000 0.945 174 V CB 1.153 32.425 31.823 -0.918 0.000 0.992 174 V HN -0.110 nan 8.190 nan 0.000 0.471 175 P HA 0.115 nan 4.420 nan 0.000 0.269 175 P C 0.746 177.910 177.300 -0.227 0.000 1.215 175 P CA 0.046 63.010 63.100 -0.228 0.000 0.780 175 P CB 0.723 32.349 31.700 -0.124 0.000 0.898 176 A N 2.531 125.267 122.820 -0.140 0.000 1.927 176 A HA -0.252 4.067 4.320 -0.002 0.000 0.220 176 A C 2.208 179.722 177.584 -0.117 0.000 1.185 176 A CA 2.690 54.656 52.037 -0.117 0.000 0.639 176 A CB -1.887 17.068 19.000 -0.075 0.000 0.820 176 A HN 0.647 nan 8.150 nan 0.000 0.451 177 S N 0.086 115.727 115.700 -0.098 0.000 2.368 177 S HA 0.015 4.484 4.470 -0.002 0.000 0.225 177 S C 2.084 176.625 174.600 -0.099 0.000 1.030 177 S CA 1.451 59.605 58.200 -0.077 0.000 0.999 177 S CB -0.750 62.422 63.200 -0.047 0.000 0.844 177 S HN 0.993 nan 8.310 nan 0.000 0.459 178 A N 2.306 125.029 122.820 -0.161 0.000 1.929 178 A HA 0.055 4.374 4.320 -0.002 0.000 0.216 178 A C 2.395 179.839 177.584 -0.234 0.000 1.176 178 A CA 0.974 52.883 52.037 -0.214 0.000 0.628 178 A CB -0.524 18.205 19.000 -0.452 0.000 0.816 178 A HN 0.533 nan 8.150 nan 0.000 0.444 179 R N -0.511 119.835 120.500 -0.256 0.000 2.081 179 R HA -0.170 4.169 4.340 -0.002 0.000 0.235 179 R C 2.402 178.631 176.300 -0.118 0.000 1.131 179 R CA 1.777 57.761 56.100 -0.194 0.000 0.960 179 R CB -0.384 29.808 30.300 -0.180 0.000 0.856 179 R HN 0.674 nan 8.270 nan 0.000 0.436 180 Q N 0.521 120.262 119.800 -0.099 0.000 2.124 180 Q HA -0.162 4.177 4.340 -0.002 0.000 0.202 180 Q C 1.412 177.381 176.000 -0.053 0.000 0.977 180 Q CA 1.394 57.157 55.803 -0.066 0.000 0.850 180 Q CB 0.074 28.779 28.738 -0.056 0.000 0.901 180 Q HN 0.433 nan 8.270 nan 0.000 0.429 181 E N -0.804 119.363 120.200 -0.056 0.000 2.511 181 E HA 0.035 4.384 4.350 -0.002 0.000 0.196 181 E C 0.591 177.174 176.600 -0.028 0.000 1.066 181 E CA 0.283 56.662 56.400 -0.034 0.000 0.871 181 E CB 0.276 29.962 29.700 -0.023 0.000 0.863 181 E HN 0.494 nan 8.360 nan 0.000 0.520 182 G N 0.996 109.769 108.800 -0.044 0.000 2.137 182 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.237 182 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.237 182 G C 0.160 175.052 174.900 -0.014 0.000 1.002 182 G CA -0.147 44.935 45.100 -0.030 0.000 0.702 182 G HN 0.327 nan 8.290 nan 0.000 0.515 183 c N 1.916 120.500 118.600 -0.027 0.000 2.416 183 c HA 0.452 5.021 4.570 -0.002 0.000 0.355 183 c C 1.031 175.108 174.090 -0.022 0.000 1.211 183 c CA -0.419 55.927 56.329 0.030 0.000 1.699 183 c CB -0.445 42.138 42.510 0.121 0.000 2.310 183 c HN 0.574 nan 8.230 nan 0.000 0.539 184 Q N 3.005 122.824 119.800 0.032 0.000 2.293 184 Q HA 0.202 4.541 4.340 -0.002 0.000 0.251 184 Q C 0.373 176.404 176.000 0.051 0.000 0.930 184 Q CA -0.097 55.714 55.803 0.014 0.000 0.893 184 Q CB 1.038 29.796 28.738 0.034 0.000 1.215 184 Q HN 0.724 nan 8.270 nan 0.000 0.425 185 D N 1.753 122.157 120.400 0.006 0.000 2.378 185 D HA -0.068 4.571 4.640 -0.002 0.000 0.238 185 D C 0.712 177.057 176.300 0.074 0.000 1.180 185 D CA 0.030 54.057 54.000 0.044 0.000 0.895 185 D CB 1.103 41.903 40.800 -0.000 0.000 1.192 185 D HN 0.509 nan 8.370 nan 0.000 0.438 186 I N 0.950 121.567 120.570 0.078 0.000 2.286 186 I HA -0.258 3.911 4.170 -0.002 0.000 0.248 186 I C 2.711 178.917 176.117 0.149 0.000 1.115 186 I CA 1.410 62.776 61.300 0.111 0.000 1.392 186 I CB -0.374 37.663 38.000 0.060 0.000 1.065 186 I HN 0.552 nan 8.210 nan 0.000 0.418 187 A N 0.604 123.478 122.820 0.090 0.000 1.908 187 A HA -0.214 4.106 4.320 -0.002 0.000 0.218 187 A C 2.406 179.996 177.584 0.010 0.000 1.181 187 A CA 2.524 54.597 52.037 0.059 0.000 0.627 187 A CB -1.110 17.938 19.000 0.080 0.000 0.818 187 A HN 0.383 nan 8.150 nan 0.000 0.445 188 T N 0.162 114.729 114.554 0.021 0.000 2.708 188 T HA -0.184 4.165 4.350 -0.002 0.000 0.266 188 T C 2.050 176.767 174.700 0.028 0.000 1.037 188 T CA 1.683 63.790 62.100 0.011 0.000 1.146 188 T CB -0.323 68.551 68.868 0.010 0.000 0.865 188 T HN 0.617 nan 8.240 nan 0.000 0.435 189 Q N 0.310 120.154 119.800 0.075 0.000 2.135 189 Q HA -0.099 4.240 4.340 -0.002 0.000 0.204 189 Q C 2.387 178.420 176.000 0.054 0.000 0.981 189 Q CA 1.064 56.940 55.803 0.120 0.000 0.856 189 Q CB -0.479 28.375 28.738 0.192 0.000 0.902 189 Q HN 0.358 nan 8.270 nan 0.000 0.425 190 L N 1.304 122.475 121.223 -0.086 0.000 2.043 190 L HA -0.192 4.147 4.340 -0.002 0.000 0.212 190 L C 2.086 178.762 176.870 -0.322 0.000 1.075 190 L CA 1.761 56.236 54.840 -0.608 0.000 0.752 190 L CB -0.323 41.434 42.059 -0.503 0.000 0.891 190 L HN 0.373 nan 8.230 nan 0.000 0.432 191 I N -4.705 115.801 120.570 -0.108 0.000 3.603 191 I HA 0.094 4.263 4.170 -0.002 0.000 0.297 191 I C 2.044 178.233 176.117 0.121 0.000 1.269 191 I CA 0.982 62.344 61.300 0.104 0.000 1.361 191 I CB 0.014 38.105 38.000 0.152 0.000 1.063 191 I HN 0.194 nan 8.210 nan 0.000 0.448 192 S N 0.966 116.697 115.700 0.052 0.000 2.545 192 S HA 0.107 4.576 4.470 -0.002 0.000 0.232 192 S C 1.631 176.264 174.600 0.056 0.000 1.070 192 S CA 0.329 58.559 58.200 0.050 0.000 0.923 192 S CB -0.196 63.028 63.200 0.040 0.000 0.806 192 S HN 0.415 nan 8.310 nan 0.000 0.506 193 N N 1.789 120.531 118.700 0.070 0.000 2.142 193 N HA 0.121 4.860 4.740 -0.002 0.000 0.186 193 N C 0.658 176.216 175.510 0.081 0.000 1.023 193 N CA 1.456 54.562 53.050 0.094 0.000 0.852 193 N CB -0.152 38.416 38.487 0.136 0.000 0.998 193 N HN 0.666 nan 8.380 nan 0.000 0.424 194 M N -2.532 117.112 119.600 0.073 0.000 2.644 194 M HA 0.374 4.854 4.480 -0.002 0.000 0.273 194 M C -1.793 174.560 176.300 0.088 0.000 1.253 194 M CA -1.020 54.323 55.300 0.071 0.000 0.852 194 M CB 2.034 34.677 32.600 0.072 0.000 1.708 194 M HN -0.317 nan 8.290 nan 0.000 0.471 195 D N 1.674 122.130 120.400 0.093 0.000 2.348 195 D HA 0.524 5.163 4.640 -0.002 0.000 0.253 195 D C -1.299 175.116 176.300 0.191 0.000 1.161 195 D CA 0.166 54.252 54.000 0.143 0.000 0.876 195 D CB 0.525 41.403 40.800 0.130 0.000 1.160 195 D HN 0.591 nan 8.370 nan 0.000 0.459 196 I N 3.380 124.124 120.570 0.289 0.000 2.418 196 I HA 0.196 4.365 4.170 -0.002 0.000 0.287 196 I C 0.385 176.726 176.117 0.374 0.000 1.008 196 I CA -0.645 60.812 61.300 0.261 0.000 1.104 196 I CB 1.971 40.071 38.000 0.166 0.000 1.264 196 I HN 0.354 nan 8.210 nan 0.000 0.438 197 D N 3.679 124.190 120.400 0.185 0.000 2.149 197 D HA -0.003 4.636 4.640 -0.002 0.000 0.201 197 D C 0.034 176.416 176.300 0.137 0.000 0.972 197 D CA 1.308 55.305 54.000 -0.005 0.000 0.835 197 D CB 0.347 41.060 40.800 -0.145 0.000 0.966 197 D HN 0.160 nan 8.370 nan 0.000 0.476 198 V N 1.136 121.141 119.914 0.151 0.000 2.577 198 V HA 0.398 4.517 4.120 -0.002 0.000 0.303 198 V C -0.811 175.354 176.094 0.119 0.000 1.042 198 V CA -0.694 61.687 62.300 0.136 0.000 0.872 198 V CB 2.315 34.188 31.823 0.083 0.000 0.998 198 V HN -0.016 nan 8.190 nan 0.000 0.423 199 I N 6.138 126.744 120.570 0.060 0.000 2.468 199 I HA 0.539 4.708 4.170 -0.002 0.000 0.284 199 I C -1.063 175.072 176.117 0.030 0.000 1.038 199 I CA -0.223 61.080 61.300 0.005 0.000 1.083 199 I CB 1.664 39.554 38.000 -0.182 0.000 1.223 199 I HN 0.345 nan 8.210 nan 0.000 0.443 200 L N 6.103 127.401 121.223 0.126 0.000 2.436 200 L HA 0.950 5.289 4.340 -0.002 0.000 0.268 200 L C 0.248 177.274 176.870 0.260 0.000 0.974 200 L CA -0.351 54.619 54.840 0.217 0.000 0.826 200 L CB 2.002 44.243 42.059 0.304 0.000 1.291 200 L HN 0.809 nan 8.230 nan 0.000 0.406 201 G N 1.507 110.485 108.800 0.297 0.000 2.455 201 G HA2 0.383 4.342 3.960 -0.002 0.000 0.223 201 G HA3 0.383 4.342 3.960 -0.002 0.000 0.223 201 G C -0.810 174.247 174.900 0.262 0.000 1.226 201 G CA -0.049 45.234 45.100 0.305 0.000 0.948 201 G HN 0.803 nan 8.290 nan 0.000 0.478 202 G N -1.899 107.023 108.800 0.203 0.000 2.532 202 G HA2 0.636 4.595 3.960 -0.002 0.000 0.291 202 G HA3 0.636 4.595 3.960 -0.002 0.000 0.291 202 G C 1.022 176.009 174.900 0.145 0.000 1.349 202 G CA 0.673 45.873 45.100 0.167 0.000 1.038 202 G HN 2.381 nan 8.290 nan 0.000 0.518 203 G N -1.404 107.466 108.800 0.116 0.000 2.141 203 G HA2 -0.203 3.757 3.960 -0.002 0.000 0.195 203 G HA3 -0.203 3.757 3.960 -0.002 0.000 0.195 203 G C 1.111 176.061 174.900 0.084 0.000 1.012 203 G CA 0.576 45.757 45.100 0.134 0.000 0.696 203 G HN 0.639 nan 8.290 nan 0.000 0.508 204 R N 0.553 121.099 120.500 0.077 0.000 2.103 204 R HA -0.141 4.198 4.340 -0.002 0.000 0.242 204 R C 2.789 179.179 176.300 0.150 0.000 1.142 204 R CA 1.919 58.125 56.100 0.177 0.000 0.960 204 R CB -0.285 30.145 30.300 0.215 0.000 0.858 204 R HN 0.695 nan 8.270 nan 0.000 0.439 205 K N -0.399 119.948 120.400 -0.089 0.000 2.211 205 K HA -0.152 4.167 4.320 -0.002 0.000 0.203 205 K C 1.269 177.818 176.600 -0.085 0.000 1.050 205 K CA 1.496 57.712 56.287 -0.118 0.000 0.945 205 K CB -0.246 32.069 32.500 -0.310 0.000 0.732 205 K HN 0.322 nan 8.250 nan 0.000 0.451 206 Y N 0.543 120.887 120.300 0.073 0.000 2.583 206 Y HA 0.124 4.673 4.550 -0.001 0.000 0.293 206 Y C 1.897 177.766 175.900 -0.052 0.000 1.157 206 Y CA -0.196 57.927 58.100 0.038 0.000 1.315 206 Y CB 0.132 38.634 38.460 0.069 0.000 1.021 206 Y HN 0.006 nan 8.280 nan 0.000 0.536 207 M N -1.036 118.526 119.600 -0.063 0.000 2.441 207 M HA 0.170 4.649 4.480 -0.002 0.000 0.244 207 M C -0.829 175.054 176.300 -0.696 0.000 1.122 207 M CA 0.536 55.569 55.300 -0.445 0.000 1.041 207 M CB -0.431 31.711 32.600 -0.764 0.000 1.438 207 M HN 0.001 nan 8.290 nan 0.000 0.484 208 F N 0.943 120.877 119.950 -0.027 0.000 2.577 208 F HA 0.471 4.997 4.527 -0.002 0.000 0.318 208 F C 0.730 176.513 175.800 -0.029 0.000 1.065 208 F CA -1.532 56.440 58.000 -0.046 0.000 0.929 208 F CB 0.979 39.937 39.000 -0.071 0.000 1.237 208 F HN -0.009 nan 8.300 nan 0.000 0.468 209 R N 1.800 122.401 120.500 0.168 0.000 2.643 209 R HA 0.377 4.716 4.340 -0.002 0.000 0.270 209 R C 0.011 176.346 176.300 0.059 0.000 1.061 209 R CA -0.695 55.453 56.100 0.079 0.000 1.107 209 R CB 0.544 30.872 30.300 0.046 0.000 0.999 209 R HN 0.858 nan 8.270 nan 0.000 0.460 210 M N 2.277 121.895 119.600 0.031 0.000 2.255 210 M HA -0.014 4.465 4.480 -0.002 0.000 0.356 210 M C 0.836 177.118 176.300 -0.030 0.000 1.338 210 M CA 2.530 57.831 55.300 0.002 0.000 0.962 210 M CB 0.193 32.794 32.600 0.000 0.000 1.877 210 M HN 1.058 nan 8.290 nan 0.000 0.463 211 G N 2.435 111.193 108.800 -0.070 0.000 2.232 211 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.226 211 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.226 211 G C 0.122 174.949 174.900 -0.122 0.000 0.996 211 G CA 0.171 45.200 45.100 -0.117 0.000 0.626 211 G HN 0.763 nan 8.290 nan 0.000 0.509 212 T N 4.181 118.684 114.554 -0.086 0.000 2.752 212 T HA 0.489 4.839 4.350 -0.002 0.000 0.295 212 T C -2.176 172.423 174.700 -0.168 0.000 0.923 212 T CA -0.443 61.581 62.100 -0.126 0.000 1.112 212 T CB 1.554 70.358 68.868 -0.107 0.000 0.884 212 T HN 0.172 nan 8.240 nan 0.000 0.525 213 P HA 0.126 nan 4.420 nan 0.000 0.268 213 P C -0.168 176.993 177.300 -0.231 0.000 1.204 213 P CA -0.364 62.643 63.100 -0.156 0.000 0.768 213 P CB 0.395 32.014 31.700 -0.134 0.000 0.842 214 D N 4.249 124.549 120.400 -0.167 0.000 2.424 214 D HA 0.020 4.659 4.640 -0.002 0.000 0.244 214 D C -1.034 175.057 176.300 -0.349 0.000 1.134 214 D CA -1.469 52.396 54.000 -0.226 0.000 0.881 214 D CB 0.559 41.336 40.800 -0.040 0.000 1.191 214 D HN 0.243 nan 8.370 nan 0.000 0.445 215 P HA -0.135 nan 4.420 nan 0.000 0.223 215 P C 0.731 177.509 177.300 -0.870 0.000 1.151 215 P CA 1.014 63.592 63.100 -0.870 0.000 0.787 215 P CB 0.290 31.017 31.700 -1.621 0.000 0.788 216 E N -1.173 118.574 120.200 -0.754 0.000 2.307 216 E HA -0.032 4.317 4.350 -0.002 0.000 0.195 216 E C 0.022 176.189 176.600 -0.722 0.000 0.975 216 E CA 0.229 56.238 56.400 -0.652 0.000 0.878 216 E CB 0.250 29.585 29.700 -0.609 0.000 0.845 216 E HN 0.203 nan 8.360 nan 0.000 0.488 217 Y N 0.153 120.386 120.300 -0.111 0.000 2.495 217 Y HA 0.300 4.849 4.550 -0.001 0.000 0.362 217 Y C -2.042 173.824 175.900 -0.056 0.000 0.956 217 Y CA -2.072 55.994 58.100 -0.056 0.000 1.127 217 Y CB 1.176 39.614 38.460 -0.035 0.000 1.173 217 Y HN 0.099 nan 8.280 nan 0.000 0.639 218 P HA -0.115 nan 4.420 nan 0.000 0.230 218 P C 0.292 177.645 177.300 0.089 0.000 1.158 218 P CA 1.331 64.433 63.100 0.003 0.000 0.769 218 P CB 0.359 32.031 31.700 -0.047 0.000 0.807 219 D N -1.797 118.658 120.400 0.091 0.000 2.395 219 D HA 0.052 4.691 4.640 -0.002 0.000 0.213 219 D C -0.167 176.139 176.300 0.010 0.000 1.110 219 D CA -0.185 53.857 54.000 0.069 0.000 0.835 219 D CB -0.468 40.346 40.800 0.025 0.000 0.965 219 D HN -0.037 nan 8.370 nan 0.000 0.505 220 D N 0.194 120.645 120.400 0.086 0.000 2.446 220 D HA 0.055 4.694 4.640 -0.002 0.000 0.251 220 D C 0.266 176.657 176.300 0.151 0.000 1.137 220 D CA -0.719 53.297 54.000 0.027 0.000 0.890 220 D CB 0.352 41.157 40.800 0.008 0.000 1.071 220 D HN -0.197 nan 8.370 nan 0.000 0.528 221 Y N 1.533 121.821 120.300 -0.020 0.000 2.274 221 Y HA -0.174 4.375 4.550 -0.002 0.000 0.290 221 Y C 2.575 178.457 175.900 -0.030 0.000 1.145 221 Y CA 1.151 59.236 58.100 -0.024 0.000 1.203 221 Y CB -1.113 37.336 38.460 -0.018 0.000 0.984 221 Y HN 0.450 nan 8.280 nan 0.000 0.533 222 S N -0.529 115.242 115.700 0.118 0.000 2.469 222 S HA -0.151 4.318 4.470 -0.002 0.000 0.238 222 S C 1.435 176.034 174.600 -0.002 0.000 0.998 222 S CA 0.903 59.128 58.200 0.041 0.000 0.957 222 S CB -0.199 63.002 63.200 0.002 0.000 0.764 222 S HN 0.366 nan 8.310 nan 0.000 0.514 223 Q N 1.083 120.882 119.800 -0.001 0.000 2.360 223 Q HA 0.356 4.695 4.340 -0.002 0.000 0.202 223 Q C 1.132 177.123 176.000 -0.016 0.000 0.915 223 Q CA 0.479 56.262 55.803 -0.032 0.000 0.943 223 Q CB -0.244 28.476 28.738 -0.029 0.000 1.064 223 Q HN 0.644 nan 8.270 nan 0.000 0.511 224 G N -0.072 108.728 108.800 0.000 0.000 2.588 224 G HA2 0.399 4.358 3.960 -0.002 0.000 0.278 224 G HA3 0.399 4.358 3.960 -0.002 0.000 0.278 224 G C 0.158 175.047 174.900 -0.019 0.000 1.307 224 G CA -0.086 44.999 45.100 -0.026 0.000 1.016 224 G HN 0.199 nan 8.290 nan 0.000 0.503 225 G N -1.757 107.044 108.800 0.001 0.000 2.484 225 G HA2 0.350 4.309 3.960 -0.002 0.000 0.235 225 G HA3 0.350 4.309 3.960 -0.002 0.000 0.235 225 G C 1.063 175.994 174.900 0.051 0.000 1.282 225 G CA 0.689 45.836 45.100 0.078 0.000 0.857 225 G HN 1.019 nan 8.290 nan 0.000 0.571 226 T N -1.126 113.474 114.554 0.077 0.000 3.001 226 T HA 0.196 4.545 4.350 -0.002 0.000 0.251 226 T C 1.035 175.790 174.700 0.092 0.000 1.040 226 T CA -0.306 61.849 62.100 0.092 0.000 0.985 226 T CB 0.217 69.186 68.868 0.169 0.000 1.011 226 T HN 0.444 nan 8.240 nan 0.000 0.509 227 R N 1.009 121.559 120.500 0.083 0.000 2.491 227 R HA 0.407 4.746 4.340 -0.002 0.000 0.283 227 R C 0.566 176.885 176.300 0.031 0.000 1.072 227 R CA -0.185 55.949 56.100 0.057 0.000 1.048 227 R CB 0.790 31.113 30.300 0.039 0.000 0.983 227 R HN 0.295 nan 8.270 nan 0.000 0.450 228 L N 1.727 122.960 121.223 0.016 0.000 2.616 228 L HA 0.024 4.363 4.340 -0.002 0.000 0.229 228 L C 0.868 177.733 176.870 -0.008 0.000 1.110 228 L CA 0.223 55.064 54.840 0.002 0.000 0.884 228 L CB -0.034 42.022 42.059 -0.005 0.000 1.115 228 L HN 0.663 nan 8.230 nan 0.000 0.481 229 D N -0.505 119.889 120.400 -0.010 0.000 2.340 229 D HA 0.066 4.705 4.640 -0.002 0.000 0.217 229 D C 1.471 177.764 176.300 -0.012 0.000 1.081 229 D CA 0.516 54.506 54.000 -0.016 0.000 0.842 229 D CB 0.257 41.043 40.800 -0.024 0.000 0.934 229 D HN 0.150 nan 8.370 nan 0.000 0.511 230 G N 0.435 109.232 108.800 -0.004 0.000 2.196 230 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.268 230 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.268 230 G C 0.204 175.104 174.900 -0.000 0.000 0.975 230 G CA 0.455 45.555 45.100 -0.000 0.000 0.648 230 G HN 0.479 nan 8.290 nan 0.000 0.538 231 K N 0.446 120.839 120.400 -0.010 0.000 2.218 231 K HA 0.291 4.610 4.320 -0.002 0.000 0.276 231 K C -0.075 176.501 176.600 -0.040 0.000 1.022 231 K CA -0.561 55.711 56.287 -0.025 0.000 0.946 231 K CB 0.568 33.046 32.500 -0.037 0.000 1.000 231 K HN 0.126 nan 8.250 nan 0.000 0.468 232 N N 4.193 122.864 118.700 -0.047 0.000 2.527 232 N HA 0.098 4.837 4.740 -0.002 0.000 0.236 232 N C 0.482 175.881 175.510 -0.184 0.000 0.999 232 N CA -0.078 52.909 53.050 -0.106 0.000 0.935 232 N CB 0.552 39.047 38.487 0.013 0.000 1.132 232 N HN 0.557 nan 8.380 nan 0.000 0.511 233 L N 2.408 123.451 121.223 -0.300 0.000 2.217 233 L HA -0.070 4.269 4.340 -0.002 0.000 0.211 233 L C 1.919 178.659 176.870 -0.216 0.000 1.107 233 L CA 0.562 55.270 54.840 -0.220 0.000 0.783 233 L CB -0.006 41.922 42.059 -0.217 0.000 0.919 233 L HN 0.326 nan 8.230 nan 0.000 0.442 234 V N -0.523 119.139 119.914 -0.420 0.000 2.270 234 V HA -0.290 3.829 4.120 -0.002 0.000 0.245 234 V C 2.461 178.510 176.094 -0.075 0.000 1.043 234 V CA 1.631 63.726 62.300 -0.343 0.000 1.014 234 V CB -0.387 31.005 31.823 -0.719 0.000 0.645 234 V HN 0.370 nan 8.190 nan 0.000 0.447 235 Q N 0.241 119.998 119.800 -0.072 0.000 2.096 235 Q HA -0.226 4.113 4.340 -0.002 0.000 0.204 235 Q C 2.171 178.183 176.000 0.020 0.000 0.982 235 Q CA 2.069 57.877 55.803 0.008 0.000 0.850 235 Q CB -0.297 28.451 28.738 0.016 0.000 0.901 235 Q HN 0.694 nan 8.270 nan 0.000 0.422 236 E N -1.397 118.806 120.200 0.005 0.000 2.085 236 E HA -0.223 4.126 4.350 -0.002 0.000 0.194 236 E C 1.612 178.243 176.600 0.051 0.000 0.994 236 E CA 1.137 57.545 56.400 0.014 0.000 0.801 236 E CB -0.373 29.328 29.700 0.002 0.000 0.743 236 E HN 0.485 nan 8.360 nan 0.000 0.453 237 W N 1.484 122.721 121.300 -0.104 0.000 2.355 237 W HA -0.140 4.519 4.660 -0.002 0.000 0.309 237 W C 1.850 178.324 176.519 -0.075 0.000 1.206 237 W CA 1.262 58.552 57.345 -0.092 0.000 1.284 237 W CB -0.235 29.168 29.460 -0.095 0.000 1.145 237 W HN -0.042 nan 8.180 nan 0.000 0.502 238 L N 0.385 121.684 121.223 0.127 0.000 2.083 238 L HA -0.196 4.143 4.340 -0.002 0.000 0.209 238 L C 2.652 179.445 176.870 -0.128 0.000 1.083 238 L CA 1.393 56.224 54.840 -0.015 0.000 0.752 238 L CB -1.354 40.774 42.059 0.116 0.000 0.899 238 L HN 0.077 nan 8.230 nan 0.000 0.433 239 A N -0.103 122.669 122.820 -0.081 0.000 2.067 239 A HA -0.183 4.136 4.320 -0.002 0.000 0.219 239 A C 2.243 179.743 177.584 -0.141 0.000 1.158 239 A CA 1.387 53.373 52.037 -0.086 0.000 0.661 239 A CB -0.288 18.683 19.000 -0.048 0.000 0.801 239 A HN 0.336 nan 8.150 nan 0.000 0.452 240 K N -0.592 119.679 120.400 -0.214 0.000 2.366 240 K HA 0.001 4.320 4.320 -0.002 0.000 0.198 240 K C -0.134 176.269 176.600 -0.328 0.000 1.044 240 K CA 0.597 56.732 56.287 -0.254 0.000 0.973 240 K CB 0.105 32.432 32.500 -0.290 0.000 0.767 240 K HN 0.509 nan 8.250 nan 0.000 0.475 241 R N 0.929 121.184 120.500 -0.407 0.000 2.502 241 R HA 0.176 4.515 4.340 -0.002 0.000 0.298 241 R C -0.910 175.212 176.300 -0.297 0.000 1.018 241 R CA -0.783 55.033 56.100 -0.474 0.000 0.899 241 R CB 1.322 31.069 30.300 -0.922 0.000 1.181 241 R HN -0.114 nan 8.270 nan 0.000 0.444 242 Q N 1.444 121.134 119.800 -0.184 0.000 2.337 242 Q HA 0.135 4.474 4.340 -0.002 0.000 0.270 242 Q C 0.785 176.753 176.000 -0.054 0.000 1.002 242 Q CA 1.780 57.527 55.803 -0.093 0.000 0.888 242 Q CB 1.115 29.819 28.738 -0.056 0.000 1.222 242 Q HN 0.937 nan 8.270 nan 0.000 0.400 243 G N 2.444 111.236 108.800 -0.014 0.000 2.143 243 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.249 243 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.249 243 G C 0.073 175.013 174.900 0.066 0.000 0.981 243 G CA 0.180 45.303 45.100 0.038 0.000 0.665 243 G HN 0.922 nan 8.290 nan 0.000 0.528 244 A N -0.107 122.713 122.820 -0.000 0.000 2.331 244 A HA 0.847 5.166 4.320 -0.002 0.000 0.283 244 A C 0.557 178.234 177.584 0.156 0.000 1.142 244 A CA 0.004 52.059 52.037 0.030 0.000 0.812 244 A CB 0.628 19.467 19.000 -0.268 0.000 1.074 244 A HN 0.492 nan 8.150 nan 0.000 0.497 245 R N 0.311 120.983 120.500 0.286 0.000 2.686 245 R HA 0.415 4.754 4.340 -0.002 0.000 0.283 245 R C -1.989 174.551 176.300 0.400 0.000 0.978 245 R CA -0.590 55.678 56.100 0.282 0.000 0.897 245 R CB 2.037 32.443 30.300 0.177 0.000 1.192 245 R HN 0.780 nan 8.270 nan 0.000 0.457 246 Y N 3.513 123.941 120.300 0.214 0.000 2.352 246 Y HA 0.511 5.060 4.550 -0.001 0.000 0.339 246 Y C -0.868 175.104 175.900 0.120 0.000 0.992 246 Y CA -0.655 57.544 58.100 0.164 0.000 1.100 246 Y CB 1.285 39.861 38.460 0.193 0.000 1.192 246 Y HN 0.332 nan 8.280 nan 0.000 0.458 247 V N 4.391 123.969 119.914 -0.560 0.000 2.914 247 V HA 0.525 4.644 4.120 -0.002 0.000 0.314 247 V C -0.715 174.897 176.094 -0.803 0.000 1.084 247 V CA -0.752 61.210 62.300 -0.562 0.000 0.963 247 V CB 2.082 33.764 31.823 -0.235 0.000 1.025 247 V HN 1.052 nan 8.190 nan 0.000 0.432 248 W N 2.631 123.606 121.300 -0.542 0.000 2.534 248 W HA 0.423 5.082 4.660 -0.001 0.000 0.339 248 W C -0.302 176.237 176.519 0.034 0.000 0.961 248 W CA 0.266 57.370 57.345 -0.402 0.000 1.545 248 W CB -0.606 28.698 29.460 -0.260 0.000 1.104 248 W HN 0.866 nan 8.180 nan 0.000 0.538 249 N N 0.034 118.597 118.700 -0.229 0.000 2.571 249 N HA 0.289 5.028 4.740 -0.002 0.000 0.273 249 N C 0.477 175.989 175.510 0.005 0.000 1.340 249 N CA -0.813 52.182 53.050 -0.092 0.000 0.789 249 N CB 1.299 39.438 38.487 -0.580 0.000 1.514 249 N HN -0.170 nan 8.380 nan 0.000 0.499 250 R N -0.617 119.818 120.500 -0.109 0.000 2.075 250 R HA -0.050 4.290 4.340 -0.002 0.000 0.232 250 R C 0.819 177.047 176.300 -0.121 0.000 1.126 250 R CA 1.983 57.982 56.100 -0.168 0.000 0.963 250 R CB -0.570 29.620 30.300 -0.183 0.000 0.858 250 R HN 0.741 nan 8.270 nan 0.000 0.435 251 T N 1.153 115.623 114.554 -0.140 0.000 2.708 251 T HA -0.103 4.246 4.350 -0.002 0.000 0.266 251 T C 1.417 176.050 174.700 -0.112 0.000 1.037 251 T CA 1.378 63.404 62.100 -0.122 0.000 1.146 251 T CB -0.105 68.683 68.868 -0.133 0.000 0.865 251 T HN 0.291 nan 8.240 nan 0.000 0.435 252 E N 0.870 120.978 120.200 -0.155 0.000 2.150 252 E HA -0.021 4.328 4.350 -0.002 0.000 0.193 252 E C 2.188 178.759 176.600 -0.049 0.000 0.985 252 E CA 0.433 56.758 56.400 -0.126 0.000 0.814 252 E CB -0.571 28.997 29.700 -0.219 0.000 0.752 252 E HN 0.324 nan 8.360 nan 0.000 0.466 253 L N 0.626 121.850 121.223 0.002 0.000 2.012 253 L HA -0.162 4.177 4.340 -0.002 0.000 0.210 253 L C 2.268 179.147 176.870 0.015 0.000 1.073 253 L CA 1.722 56.603 54.840 0.068 0.000 0.748 253 L CB -0.490 41.648 42.059 0.131 0.000 0.891 253 L HN 0.071 nan 8.230 nan 0.000 0.431 254 M N -1.345 118.241 119.600 -0.023 0.000 2.080 254 M HA -0.245 4.234 4.480 -0.002 0.000 0.260 254 M C 2.361 178.651 176.300 -0.017 0.000 1.068 254 M CA 1.907 57.190 55.300 -0.028 0.000 1.109 254 M CB -0.624 31.950 32.600 -0.044 0.000 1.342 254 M HN 0.410 nan 8.290 nan 0.000 0.405 255 Q N 0.277 120.064 119.800 -0.022 0.000 2.050 255 Q HA -0.159 4.180 4.340 -0.002 0.000 0.202 255 Q C 2.119 178.120 176.000 0.001 0.000 0.980 255 Q CA 2.069 57.864 55.803 -0.014 0.000 0.840 255 Q CB -0.208 28.517 28.738 -0.022 0.000 0.898 255 Q HN 0.556 nan 8.270 nan 0.000 0.424 256 A N 0.709 123.535 122.820 0.010 0.000 1.908 256 A HA -0.190 4.129 4.320 -0.002 0.000 0.218 256 A C 2.246 179.848 177.584 0.030 0.000 1.181 256 A CA 2.264 54.319 52.037 0.030 0.000 0.627 256 A CB -0.763 18.265 19.000 0.048 0.000 0.818 256 A HN 0.580 nan 8.150 nan 0.000 0.445 257 S N -0.597 115.116 115.700 0.022 0.000 2.474 257 S HA 0.049 4.518 4.470 -0.002 0.000 0.235 257 S C 1.403 176.006 174.600 0.006 0.000 0.997 257 S CA 1.257 59.466 58.200 0.015 0.000 0.949 257 S CB -0.402 62.803 63.200 0.008 0.000 0.766 257 S HN 0.435 nan 8.310 nan 0.000 0.517 258 L N 0.845 122.071 121.223 0.005 0.000 2.640 258 L HA 0.360 4.699 4.340 -0.002 0.000 0.230 258 L C 0.270 177.144 176.870 0.007 0.000 1.123 258 L CA -0.140 54.701 54.840 0.002 0.000 0.900 258 L CB 0.067 42.124 42.059 -0.003 0.000 1.146 258 L HN 0.196 nan 8.230 nan 0.000 0.484 259 D N 1.665 122.073 120.400 0.013 0.000 2.313 259 D HA 0.127 4.766 4.640 -0.002 0.000 0.239 259 D C -1.481 174.830 176.300 0.019 0.000 1.142 259 D CA -2.075 51.935 54.000 0.017 0.000 0.847 259 D CB 1.769 42.583 40.800 0.023 0.000 1.082 259 D HN -0.084 nan 8.370 nan 0.000 0.480 260 P HA -0.126 nan 4.420 nan 0.000 0.222 260 P C 1.010 178.323 177.300 0.022 0.000 1.147 260 P CA 0.694 63.804 63.100 0.017 0.000 0.790 260 P CB 0.156 31.864 31.700 0.014 0.000 0.780 261 S N -1.459 114.257 115.700 0.025 0.000 2.562 261 S HA 0.053 4.522 4.470 -0.002 0.000 0.221 261 S C 0.843 175.469 174.600 0.042 0.000 0.975 261 S CA -0.196 58.022 58.200 0.030 0.000 0.918 261 S CB -0.925 62.291 63.200 0.027 0.000 0.772 261 S HN -0.107 nan 8.310 nan 0.000 0.531 262 V N 3.632 123.574 119.914 0.046 0.000 2.389 262 V HA 0.283 4.402 4.120 -0.002 0.000 0.264 262 V C 1.527 177.659 176.094 0.063 0.000 1.049 262 V CA 0.370 62.711 62.300 0.067 0.000 0.932 262 V CB 0.570 32.436 31.823 0.072 0.000 1.011 262 V HN 0.694 nan 8.190 nan 0.000 0.475 263 T N 0.780 115.389 114.554 0.092 0.000 3.023 263 T HA 0.181 4.530 4.350 -0.002 0.000 0.249 263 T C 0.444 175.112 174.700 -0.054 0.000 1.050 263 T CA 0.330 62.466 62.100 0.059 0.000 1.088 263 T CB 0.056 69.012 68.868 0.148 0.000 0.946 263 T HN 0.604 nan 8.240 nan 0.000 0.480 264 H N -0.056 119.053 119.070 0.065 0.000 2.759 264 H HA 0.730 5.285 4.556 -0.002 0.000 0.354 264 H C -1.677 173.847 175.328 0.327 0.000 1.074 264 H CA -0.852 55.289 56.048 0.155 0.000 1.226 264 H CB 1.947 31.661 29.762 -0.081 0.000 1.648 264 H HN 0.157 nan 8.280 nan 0.000 0.529 265 L N 3.479 125.002 121.223 0.500 0.000 2.406 265 L HA 0.509 4.848 4.340 -0.002 0.000 0.272 265 L C -1.372 175.653 176.870 0.257 0.000 0.980 265 L CA -0.573 54.488 54.840 0.369 0.000 0.831 265 L CB 1.540 43.712 42.059 0.190 0.000 1.253 265 L HN 0.773 nan 8.230 nan 0.000 0.406 266 M N 4.538 124.214 119.600 0.126 0.000 2.125 266 M HA 0.734 5.213 4.480 -0.002 0.000 0.321 266 M C -0.703 175.533 176.300 -0.107 0.000 0.983 266 M CA -0.370 54.824 55.300 -0.177 0.000 0.934 266 M CB 1.326 33.553 32.600 -0.622 0.000 1.542 266 M HN 0.789 nan 8.290 nan 0.000 0.424 267 G N 6.598 115.266 108.800 -0.221 0.000 2.605 267 G HA2 0.618 4.577 3.960 -0.002 0.000 0.304 267 G HA3 0.618 4.577 3.960 -0.002 0.000 0.304 267 G C -1.424 172.933 174.900 -0.906 0.000 1.333 267 G CA -0.543 44.168 45.100 -0.649 0.000 0.973 267 G HN 0.736 nan 8.290 nan 0.000 0.507 268 L N 2.843 123.584 121.223 -0.803 0.000 2.318 268 L HA 0.404 4.743 4.340 -0.002 0.000 0.277 268 L C -0.005 176.640 176.870 -0.374 0.000 1.008 268 L CA -0.704 53.906 54.840 -0.384 0.000 0.846 268 L CB 1.361 43.448 42.059 0.046 0.000 1.220 268 L HN 0.576 nan 8.230 nan 0.000 0.423 269 F N -0.114 119.922 119.950 0.143 0.000 2.731 269 F HA 0.257 4.783 4.527 -0.001 0.000 0.298 269 F C 1.035 176.946 175.800 0.185 0.000 1.106 269 F CA 0.022 58.113 58.000 0.151 0.000 1.329 269 F CB 0.684 39.739 39.000 0.092 0.000 1.100 269 F HN 0.406 nan 8.300 nan 0.000 0.592 270 E N -0.738 119.635 120.200 0.288 0.000 2.429 270 E HA 0.253 4.602 4.350 -0.002 0.000 0.276 270 E C -2.018 174.676 176.600 0.158 0.000 0.953 270 E CA -1.858 54.696 56.400 0.256 0.000 0.787 270 E CB 1.623 31.448 29.700 0.208 0.000 1.307 270 E HN -0.257 nan 8.360 nan 0.000 0.458 271 P HA -0.084 nan 4.420 nan 0.000 0.215 271 P C 0.523 177.758 177.300 -0.109 0.000 1.157 271 P CA 1.485 64.583 63.100 -0.003 0.000 0.863 271 P CB 0.423 32.106 31.700 -0.029 0.000 0.787 272 G N -1.413 107.346 108.800 -0.069 0.000 3.310 272 G HA2 0.176 4.135 3.960 -0.002 0.000 0.176 272 G HA3 0.176 4.135 3.960 -0.002 0.000 0.176 272 G C -0.660 174.253 174.900 0.022 0.000 1.307 272 G CA -0.236 44.826 45.100 -0.063 0.000 0.935 272 G HN -0.074 nan 8.290 nan 0.000 0.628 273 D N 1.087 121.497 120.400 0.016 0.000 2.382 273 D HA 0.207 4.847 4.640 -0.002 0.000 0.240 273 D C 0.910 177.227 176.300 0.028 0.000 1.146 273 D CA 0.172 54.185 54.000 0.022 0.000 0.897 273 D CB 0.654 41.455 40.800 0.003 0.000 1.197 273 D HN -0.000 nan 8.370 nan 0.000 0.432 274 M N 0.713 120.335 119.600 0.038 0.000 2.232 274 M HA 0.060 4.539 4.480 -0.002 0.000 0.321 274 M C 0.810 177.104 176.300 -0.010 0.000 1.101 274 M CA 0.085 55.419 55.300 0.057 0.000 1.181 274 M CB 0.097 32.742 32.600 0.074 0.000 1.432 274 M HN 0.033 nan 8.290 nan 0.000 0.457 275 K N 0.955 121.383 120.400 0.046 0.000 2.380 275 K HA 0.103 4.422 4.320 -0.002 0.000 0.267 275 K C -0.749 175.857 176.600 0.010 0.000 0.990 275 K CA 0.022 56.345 56.287 0.059 0.000 0.946 275 K CB 0.183 32.783 32.500 0.166 0.000 0.937 275 K HN 0.371 nan 8.250 nan 0.000 0.491 276 Y N 1.330 121.673 120.300 0.072 0.000 2.805 276 Y HA -0.192 4.357 4.550 -0.002 0.000 0.337 276 Y C 1.786 177.659 175.900 -0.044 0.000 1.252 276 Y CA 0.193 58.270 58.100 -0.038 0.000 1.515 276 Y CB 0.276 38.626 38.460 -0.184 0.000 1.305 276 Y HN 0.718 nan 8.280 nan 0.000 0.600 277 E N 2.673 122.948 120.200 0.126 0.000 2.130 277 E HA -0.253 4.096 4.350 -0.002 0.000 0.196 277 E C 1.579 178.210 176.600 0.051 0.000 0.998 277 E CA 2.214 58.651 56.400 0.063 0.000 0.806 277 E CB -0.428 29.292 29.700 0.034 0.000 0.738 277 E HN 0.721 nan 8.360 nan 0.000 0.459 278 I N -2.562 118.009 120.570 0.001 0.000 2.756 278 I HA -0.123 4.046 4.170 -0.002 0.000 0.262 278 I C 1.302 177.470 176.117 0.085 0.000 1.225 278 I CA 1.530 62.824 61.300 -0.011 0.000 1.472 278 I CB -0.461 37.501 38.000 -0.064 0.000 1.094 278 I HN 0.110 nan 8.210 nan 0.000 0.454 279 H N 0.239 119.386 119.070 0.128 0.000 2.755 279 H HA 0.318 4.873 4.556 -0.002 0.000 0.273 279 H C 0.661 176.044 175.328 0.092 0.000 1.055 279 H CA -0.686 55.427 56.048 0.109 0.000 1.191 279 H CB 0.456 30.304 29.762 0.142 0.000 1.536 279 H HN 0.202 nan 8.280 nan 0.000 0.529 280 R N 2.353 122.961 120.500 0.180 0.000 2.489 280 R HA -0.053 4.286 4.340 -0.002 0.000 0.287 280 R C -0.561 175.794 176.300 0.092 0.000 1.053 280 R CA -0.164 56.006 56.100 0.117 0.000 1.036 280 R CB 0.371 30.710 30.300 0.066 0.000 0.966 280 R HN 0.115 nan 8.270 nan 0.000 0.432 281 D N 2.702 123.152 120.400 0.084 0.000 2.352 281 D HA -0.015 4.624 4.640 -0.002 0.000 0.245 281 D C 0.542 176.856 176.300 0.023 0.000 1.224 281 D CA 0.013 54.049 54.000 0.059 0.000 0.879 281 D CB 1.069 41.911 40.800 0.070 0.000 1.057 281 D HN 0.625 nan 8.370 nan 0.000 0.491 282 S N 1.463 117.169 115.700 0.010 0.000 2.607 282 S HA -0.127 4.342 4.470 -0.002 0.000 0.224 282 S C 1.660 176.241 174.600 -0.032 0.000 0.969 282 S CA 0.934 59.124 58.200 -0.017 0.000 0.927 282 S CB -0.277 62.915 63.200 -0.012 0.000 0.772 282 S HN 0.552 nan 8.310 nan 0.000 0.533 283 T N 0.031 114.572 114.554 -0.022 0.000 2.976 283 T HA 0.263 4.612 4.350 -0.002 0.000 0.257 283 T C 1.651 176.321 174.700 -0.050 0.000 1.051 283 T CA 0.254 62.333 62.100 -0.035 0.000 1.141 283 T CB -0.529 68.326 68.868 -0.022 0.000 0.881 283 T HN 0.379 nan 8.240 nan 0.000 0.461 284 L N 0.307 121.513 121.223 -0.028 0.000 2.354 284 L HA 0.390 4.729 4.340 -0.002 0.000 0.212 284 L C -0.127 176.725 176.870 -0.031 0.000 1.091 284 L CA 0.394 55.222 54.840 -0.021 0.000 0.828 284 L CB 0.033 42.115 42.059 0.037 0.000 0.973 284 L HN 0.215 nan 8.230 nan 0.000 0.461 285 D N -0.029 120.337 120.400 -0.057 0.000 2.646 285 D HA 0.296 4.935 4.640 -0.002 0.000 0.245 285 D C -2.539 173.623 176.300 -0.231 0.000 1.099 285 D CA -1.417 52.503 54.000 -0.135 0.000 0.849 285 D CB 2.103 42.891 40.800 -0.021 0.000 1.448 285 D HN -0.166 nan 8.370 nan 0.000 0.489 286 P HA 0.136 nan 4.420 nan 0.000 0.282 286 P C -0.337 176.825 177.300 -0.230 0.000 1.249 286 P CA -0.568 62.320 63.100 -0.354 0.000 0.806 286 P CB 1.183 32.568 31.700 -0.525 0.000 0.984 287 S N 2.243 117.863 115.700 -0.134 0.000 2.608 287 S HA 0.049 4.518 4.470 -0.002 0.000 0.261 287 S C 1.359 175.924 174.600 -0.059 0.000 1.314 287 S CA -0.520 57.636 58.200 -0.073 0.000 0.992 287 S CB -0.122 63.050 63.200 -0.047 0.000 0.935 287 S HN 0.358 nan 8.310 nan 0.000 0.564 288 L N 1.050 122.265 121.223 -0.013 0.000 2.042 288 L HA -0.061 4.278 4.340 -0.002 0.000 0.210 288 L C 2.514 179.396 176.870 0.019 0.000 1.076 288 L CA 2.204 57.058 54.840 0.024 0.000 0.749 288 L CB -0.908 41.191 42.059 0.067 0.000 0.893 288 L HN 0.961 nan 8.230 nan 0.000 0.432 289 M N -0.977 118.621 119.600 -0.003 0.000 2.117 289 M HA -0.243 4.236 4.480 -0.002 0.000 0.262 289 M C 2.051 178.340 176.300 -0.019 0.000 1.065 289 M CA 1.973 57.266 55.300 -0.012 0.000 1.114 289 M CB -0.151 32.430 32.600 -0.032 0.000 1.361 289 M HN 0.339 nan 8.290 nan 0.000 0.408 290 E N 0.031 120.206 120.200 -0.042 0.000 2.077 290 E HA -0.212 4.137 4.350 -0.002 0.000 0.193 290 E C 2.005 178.575 176.600 -0.051 0.000 0.989 290 E CA 1.762 58.127 56.400 -0.058 0.000 0.800 290 E CB -0.234 29.410 29.700 -0.093 0.000 0.746 290 E HN 0.612 nan 8.360 nan 0.000 0.452 291 M N 0.369 119.939 119.600 -0.051 0.000 2.159 291 M HA -0.139 4.341 4.480 -0.002 0.000 0.263 291 M C 2.345 178.663 176.300 0.029 0.000 1.063 291 M CA 1.275 56.571 55.300 -0.006 0.000 1.110 291 M CB -0.371 32.245 32.600 0.026 0.000 1.374 291 M HN 0.091 nan 8.290 nan 0.000 0.411 292 T N -0.013 114.560 114.554 0.033 0.000 2.708 292 T HA -0.209 4.140 4.350 -0.002 0.000 0.266 292 T C 1.634 176.341 174.700 0.010 0.000 1.037 292 T CA 1.774 63.901 62.100 0.043 0.000 1.146 292 T CB -0.270 68.648 68.868 0.083 0.000 0.865 292 T HN 0.487 nan 8.240 nan 0.000 0.435 293 E N 0.866 121.066 120.200 0.000 0.000 2.077 293 E HA -0.110 4.239 4.350 -0.002 0.000 0.193 293 E C 2.376 178.960 176.600 -0.026 0.000 0.989 293 E CA 1.037 57.428 56.400 -0.015 0.000 0.800 293 E CB -0.271 29.419 29.700 -0.017 0.000 0.746 293 E HN 0.454 nan 8.360 nan 0.000 0.452 294 A N 1.152 123.963 122.820 -0.015 0.000 1.908 294 A HA -0.166 4.153 4.320 -0.002 0.000 0.218 294 A C 2.425 180.000 177.584 -0.015 0.000 1.181 294 A CA 2.023 54.056 52.037 -0.006 0.000 0.627 294 A CB -0.957 18.053 19.000 0.017 0.000 0.818 294 A HN 0.440 nan 8.150 nan 0.000 0.445 295 A N -0.402 122.409 122.820 -0.015 0.000 1.902 295 A HA -0.040 4.279 4.320 -0.002 0.000 0.217 295 A C 2.176 179.668 177.584 -0.154 0.000 1.181 295 A CA 1.521 53.529 52.037 -0.048 0.000 0.623 295 A CB -0.599 18.387 19.000 -0.023 0.000 0.818 295 A HN 0.476 nan 8.150 nan 0.000 0.443 296 L N -1.189 119.933 121.223 -0.169 0.000 2.093 296 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 296 L C 2.822 179.580 176.870 -0.185 0.000 1.085 296 L CA 1.239 55.918 54.840 -0.268 0.000 0.755 296 L CB -0.452 41.512 42.059 -0.159 0.000 0.904 296 L HN 0.356 nan 8.230 nan 0.000 0.435 297 R N -0.093 120.349 120.500 -0.097 0.000 2.096 297 R HA -0.229 4.110 4.340 -0.002 0.000 0.240 297 R C 2.290 178.553 176.300 -0.061 0.000 1.139 297 R CA 1.748 57.813 56.100 -0.058 0.000 0.952 297 R CB -0.491 29.790 30.300 -0.031 0.000 0.854 297 R HN 0.308 nan 8.270 nan 0.000 0.436 298 L N 0.505 121.686 121.223 -0.070 0.000 2.068 298 L HA -0.080 4.259 4.340 -0.002 0.000 0.204 298 L C 2.081 178.898 176.870 -0.088 0.000 1.076 298 L CA 1.064 55.869 54.840 -0.057 0.000 0.753 298 L CB -0.047 41.990 42.059 -0.035 0.000 0.910 298 L HN 0.178 nan 8.230 nan 0.000 0.439 299 L N -0.361 120.753 121.223 -0.180 0.000 2.131 299 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 299 L C 2.715 179.520 176.870 -0.110 0.000 1.092 299 L CA 1.351 56.056 54.840 -0.225 0.000 0.759 299 L CB -0.681 41.031 42.059 -0.578 0.000 0.903 299 L HN 0.439 nan 8.230 nan 0.000 0.435 300 S N -0.446 115.168 115.700 -0.144 0.000 2.507 300 S HA -0.121 4.348 4.470 -0.002 0.000 0.235 300 S C 1.927 176.584 174.600 0.096 0.000 0.988 300 S CA 0.403 58.649 58.200 0.077 0.000 0.944 300 S CB -0.316 62.910 63.200 0.042 0.000 0.762 300 S HN 0.397 nan 8.310 nan 0.000 0.526 301 R N 1.436 121.963 120.500 0.045 0.000 2.148 301 R HA 0.106 4.445 4.340 -0.002 0.000 0.227 301 R C 0.789 177.125 176.300 0.060 0.000 1.103 301 R CA 0.706 56.831 56.100 0.042 0.000 0.983 301 R CB -0.424 29.888 30.300 0.019 0.000 0.874 301 R HN 0.572 nan 8.270 nan 0.000 0.451 302 N N 1.891 120.642 118.700 0.084 0.000 2.431 302 N HA 0.013 4.752 4.740 -0.002 0.000 0.265 302 N C -1.664 173.899 175.510 0.088 0.000 1.184 302 N CA -1.324 51.777 53.050 0.085 0.000 0.943 302 N CB 1.049 39.600 38.487 0.107 0.000 1.080 302 N HN -0.089 nan 8.380 nan 0.000 0.477 303 P HA -0.139 nan 4.420 nan 0.000 0.225 303 P C 0.361 177.686 177.300 0.042 0.000 1.148 303 P CA 1.089 64.217 63.100 0.048 0.000 0.779 303 P CB 0.231 31.952 31.700 0.034 0.000 0.780 304 R N -0.545 119.983 120.500 0.047 0.000 2.299 304 R HA 0.275 4.615 4.340 -0.002 0.000 0.197 304 R C 1.235 177.554 176.300 0.031 0.000 0.971 304 R CA 0.593 56.714 56.100 0.035 0.000 1.030 304 R CB -0.247 30.076 30.300 0.038 0.000 0.932 304 R HN 0.231 nan 8.270 nan 0.000 0.477 305 G N 1.116 109.952 108.800 0.059 0.000 2.610 305 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.304 305 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.304 305 G C -0.690 174.295 174.900 0.141 0.000 1.309 305 G CA -0.407 44.707 45.100 0.023 0.000 0.906 305 G HN 0.253 nan 8.290 nan 0.000 0.521 306 F N -2.555 117.433 119.950 0.063 0.000 2.662 306 F HA 0.854 5.380 4.527 -0.002 0.000 0.312 306 F C -1.111 174.774 175.800 0.142 0.000 1.113 306 F CA -2.187 55.871 58.000 0.097 0.000 0.951 306 F CB 1.540 40.582 39.000 0.069 0.000 1.344 306 F HN 0.876 nan 8.300 nan 0.000 0.462 307 F N 3.500 123.631 119.950 0.302 0.000 2.482 307 F HA 0.791 5.317 4.527 -0.001 0.000 0.331 307 F C -1.864 174.145 175.800 0.348 0.000 1.115 307 F CA -1.341 56.800 58.000 0.235 0.000 0.955 307 F CB 1.724 40.810 39.000 0.144 0.000 1.136 307 F HN 0.685 nan 8.300 nan 0.000 0.452 308 L N 8.032 129.262 121.223 0.012 0.000 2.381 308 L HA 0.537 4.876 4.340 -0.002 0.000 0.274 308 L C -2.038 174.777 176.870 -0.090 0.000 0.988 308 L CA -0.653 54.251 54.840 0.107 0.000 0.824 308 L CB 1.435 43.551 42.059 0.094 0.000 1.263 308 L HN 0.569 nan 8.230 nan 0.000 0.410 309 F N 6.053 126.056 119.950 0.088 0.000 2.404 309 F HA 0.749 5.275 4.527 -0.001 0.000 0.354 309 F C -1.114 174.730 175.800 0.073 0.000 1.122 309 F CA -0.498 57.571 58.000 0.115 0.000 1.080 309 F CB 1.319 40.520 39.000 0.334 0.000 1.131 309 F HN 0.225 nan 8.300 nan 0.000 0.471 310 V N 6.288 125.908 119.914 -0.490 0.000 2.443 310 V HA 0.312 4.431 4.120 -0.002 0.000 0.293 310 V C -0.699 175.187 176.094 -0.347 0.000 1.021 310 V CA -0.785 61.361 62.300 -0.257 0.000 0.848 310 V CB 1.511 33.321 31.823 -0.021 0.000 0.998 310 V HN 0.778 nan 8.190 nan 0.000 0.424 311 E N 3.252 123.292 120.200 -0.266 0.000 2.145 311 E HA 0.530 4.879 4.350 -0.002 0.000 0.270 311 E C 0.300 176.858 176.600 -0.071 0.000 0.906 311 E CA -0.629 55.640 56.400 -0.219 0.000 0.761 311 E CB 1.806 31.447 29.700 -0.098 0.000 1.116 311 E HN 0.832 nan 8.360 nan 0.000 0.408 312 G N 2.965 111.579 108.800 -0.310 0.000 2.865 312 G HA2 0.193 4.152 3.960 -0.002 0.000 0.292 312 G HA3 0.193 4.152 3.960 -0.002 0.000 0.292 312 G C 0.714 175.399 174.900 -0.357 0.000 0.800 312 G CA 0.020 44.907 45.100 -0.355 0.000 1.838 312 G HN 0.621 nan 8.290 nan 0.000 0.535 313 G N 1.248 109.920 108.800 -0.213 0.000 2.623 313 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.214 313 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.214 313 G C 1.526 176.175 174.900 -0.420 0.000 1.138 313 G CA -0.150 44.808 45.100 -0.236 0.000 0.794 313 G HN 0.554 nan 8.290 nan 0.000 0.535 314 R N -0.304 119.980 120.500 -0.359 0.000 2.362 314 R HA 0.334 4.673 4.340 -0.002 0.000 0.227 314 R C 1.884 178.108 176.300 -0.127 0.000 0.905 314 R CA -0.315 55.552 56.100 -0.389 0.000 1.067 314 R CB 0.040 30.149 30.300 -0.318 0.000 1.078 314 R HN 0.341 nan 8.270 nan 0.000 0.516 315 I N 1.407 121.865 120.570 -0.187 0.000 2.113 315 I HA -0.368 3.801 4.170 -0.002 0.000 0.242 315 I C 2.151 178.131 176.117 -0.227 0.000 1.064 315 I CA 1.891 63.054 61.300 -0.228 0.000 1.320 315 I CB -0.355 37.483 38.000 -0.270 0.000 1.028 315 I HN 0.131 nan 8.210 nan 0.000 0.406 316 D N 0.244 120.581 120.400 -0.105 0.000 2.116 316 D HA -0.247 4.392 4.640 -0.002 0.000 0.193 316 D C 2.101 178.539 176.300 0.230 0.000 0.998 316 D CA 1.872 55.943 54.000 0.117 0.000 0.836 316 D CB -0.117 40.866 40.800 0.306 0.000 0.951 316 D HN 0.471 nan 8.370 nan 0.000 0.449 317 H N -1.175 118.018 119.070 0.205 0.000 2.387 317 H HA 0.004 4.559 4.556 -0.002 0.000 0.299 317 H C 2.189 177.663 175.328 0.243 0.000 1.090 317 H CA 0.579 56.805 56.048 0.297 0.000 1.332 317 H CB -0.158 29.720 29.762 0.194 0.000 1.386 317 H HN 0.268 nan 8.280 nan 0.000 0.516 318 G N 0.740 109.695 108.800 0.258 0.000 2.446 318 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.217 318 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.217 318 G C 1.271 176.120 174.900 -0.085 0.000 1.168 318 G CA 0.969 46.065 45.100 -0.006 0.000 0.771 318 G HN 0.424 nan 8.290 nan 0.000 0.551 319 H N 0.136 119.074 119.070 -0.220 0.000 2.353 319 H HA -0.038 4.517 4.556 -0.002 0.000 0.300 319 H C 2.463 177.609 175.328 -0.303 0.000 1.090 319 H CA 1.328 57.154 56.048 -0.370 0.000 1.327 319 H CB -0.450 28.754 29.762 -0.931 0.000 1.383 319 H HN 0.371 nan 8.280 nan 0.000 0.508 320 H N 0.947 120.075 119.070 0.098 0.000 2.387 320 H HA -0.079 4.476 4.556 -0.001 0.000 0.299 320 H C 1.613 176.941 175.328 -0.001 0.000 1.099 320 H CA 1.088 57.215 56.048 0.131 0.000 1.315 320 H CB 0.083 29.973 29.762 0.213 0.000 1.380 320 H HN 0.566 nan 8.280 nan 0.000 0.513 321 E N 0.377 120.637 120.200 0.099 0.000 2.511 321 E HA 0.001 4.350 4.350 -0.002 0.000 0.196 321 E C 0.399 176.929 176.600 -0.117 0.000 1.066 321 E CA 0.229 56.637 56.400 0.013 0.000 0.871 321 E CB 0.251 29.974 29.700 0.039 0.000 0.863 321 E HN 0.107 nan 8.360 nan 0.000 0.520 322 S N 0.646 116.165 115.700 -0.302 0.000 3.581 322 S HA -0.217 4.252 4.470 -0.002 0.000 0.354 322 S C -0.042 174.487 174.600 -0.118 0.000 1.059 322 S CA 0.650 58.473 58.200 -0.629 0.000 1.060 322 S CB -0.998 61.857 63.200 -0.575 0.000 0.908 322 S HN 0.335 nan 8.310 nan 0.000 0.475 323 R N 0.325 120.808 120.500 -0.029 0.000 2.471 323 R HA 0.480 4.819 4.340 -0.002 0.000 0.292 323 R C 1.391 177.756 176.300 0.109 0.000 1.192 323 R CA 0.330 56.454 56.100 0.040 0.000 1.257 323 R CB 0.414 30.674 30.300 -0.067 0.000 1.130 323 R HN 0.327 nan 8.270 nan 0.000 0.558 324 A N 2.018 125.040 122.820 0.337 0.000 1.978 324 A HA -0.253 4.066 4.320 -0.002 0.000 0.220 324 A C 1.703 179.445 177.584 0.262 0.000 1.170 324 A CA 1.185 53.420 52.037 0.330 0.000 0.636 324 A CB -0.414 18.957 19.000 0.619 0.000 0.810 324 A HN 0.774 nan 8.150 nan 0.000 0.448 325 Y N 0.467 120.764 120.300 -0.005 0.000 2.165 325 Y HA -0.262 4.287 4.550 -0.002 0.000 0.286 325 Y C 2.555 178.330 175.900 -0.208 0.000 1.155 325 Y CA 2.281 60.177 58.100 -0.340 0.000 1.164 325 Y CB -0.177 37.887 38.460 -0.660 0.000 0.978 325 Y HN 0.298 nan 8.280 nan 0.000 0.513 326 R N -0.536 119.910 120.500 -0.090 0.000 2.062 326 R HA -0.080 4.259 4.340 -0.002 0.000 0.229 326 R C 2.572 178.723 176.300 -0.248 0.000 1.128 326 R CA 1.021 56.941 56.100 -0.300 0.000 0.960 326 R CB -0.684 29.208 30.300 -0.679 0.000 0.855 326 R HN 0.380 nan 8.270 nan 0.000 0.432 327 A N 1.398 124.038 122.820 -0.300 0.000 1.883 327 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 327 A C 2.158 179.525 177.584 -0.361 0.000 1.186 327 A CA 1.377 53.117 52.037 -0.495 0.000 0.624 327 A CB -0.581 17.719 19.000 -1.167 0.000 0.822 327 A HN 0.182 nan 8.150 nan 0.000 0.444 328 L N -0.392 120.681 121.223 -0.249 0.000 2.131 328 L HA -0.098 4.241 4.340 -0.002 0.000 0.206 328 L C 2.941 179.724 176.870 -0.144 0.000 1.087 328 L CA 1.577 56.319 54.840 -0.162 0.000 0.767 328 L CB -0.962 41.060 42.059 -0.062 0.000 0.917 328 L HN 0.641 nan 8.230 nan 0.000 0.441 329 T N -3.351 111.091 114.554 -0.187 0.000 2.821 329 T HA -0.129 4.220 4.350 -0.002 0.000 0.267 329 T C 1.701 176.348 174.700 -0.088 0.000 1.046 329 T CA 0.750 62.749 62.100 -0.169 0.000 1.139 329 T CB -0.198 68.532 68.868 -0.230 0.000 0.871 329 T HN 0.170 nan 8.240 nan 0.000 0.454 330 E N 1.259 121.414 120.200 -0.074 0.000 2.110 330 E HA -0.086 4.263 4.350 -0.002 0.000 0.193 330 E C 2.446 179.032 176.600 -0.023 0.000 0.988 330 E CA 1.545 57.927 56.400 -0.030 0.000 0.804 330 E CB -0.880 28.805 29.700 -0.025 0.000 0.745 330 E HN 0.607 nan 8.360 nan 0.000 0.458 331 T N 1.539 116.058 114.554 -0.059 0.000 2.777 331 T HA -0.044 4.305 4.350 -0.002 0.000 0.266 331 T C 2.124 176.847 174.700 0.038 0.000 1.040 331 T CA 0.731 62.833 62.100 0.003 0.000 1.141 331 T CB -0.141 68.698 68.868 -0.048 0.000 0.868 331 T HN 0.113 nan 8.240 nan 0.000 0.444 332 I N 0.740 121.292 120.570 -0.029 0.000 2.226 332 I HA -0.174 3.995 4.170 -0.002 0.000 0.245 332 I C 2.502 178.596 176.117 -0.040 0.000 1.100 332 I CA 1.129 62.398 61.300 -0.051 0.000 1.374 332 I CB -0.317 37.641 38.000 -0.070 0.000 1.057 332 I HN 0.237 nan 8.210 nan 0.000 0.413 333 M N 0.746 120.340 119.600 -0.010 0.000 2.159 333 M HA -0.233 4.246 4.480 -0.002 0.000 0.263 333 M C 2.031 178.346 176.300 0.026 0.000 1.063 333 M CA 1.801 57.100 55.300 -0.002 0.000 1.110 333 M CB -0.753 31.854 32.600 0.012 0.000 1.374 333 M HN 0.203 nan 8.290 nan 0.000 0.411 334 F N 0.822 120.710 119.950 -0.103 0.000 2.095 334 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 334 F C 1.887 177.583 175.800 -0.173 0.000 1.104 334 F CA 2.470 60.400 58.000 -0.116 0.000 1.232 334 F CB -1.030 37.898 39.000 -0.119 0.000 0.987 334 F HN 0.361 nan 8.300 nan 0.000 0.475 335 D N -0.118 120.110 120.400 -0.287 0.000 2.144 335 D HA -0.188 4.451 4.640 -0.002 0.000 0.199 335 D C 1.765 177.855 176.300 -0.350 0.000 0.984 335 D CA 1.625 55.367 54.000 -0.430 0.000 0.834 335 D CB -0.259 40.380 40.800 -0.269 0.000 0.955 335 D HN 0.270 nan 8.370 nan 0.000 0.465 336 D N -0.259 120.013 120.400 -0.215 0.000 2.144 336 D HA -0.124 4.516 4.640 -0.002 0.000 0.199 336 D C 1.973 178.169 176.300 -0.174 0.000 0.984 336 D CA 1.292 55.195 54.000 -0.161 0.000 0.834 336 D CB -0.466 40.276 40.800 -0.097 0.000 0.955 336 D HN 0.314 nan 8.370 nan 0.000 0.465 337 A N 0.680 123.388 122.820 -0.187 0.000 1.902 337 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 337 A C 2.379 179.807 177.584 -0.260 0.000 1.181 337 A CA 0.840 52.793 52.037 -0.140 0.000 0.623 337 A CB -0.705 18.269 19.000 -0.044 0.000 0.818 337 A HN 0.183 nan 8.150 nan 0.000 0.443 338 I N -0.547 119.646 120.570 -0.630 0.000 2.163 338 I HA -0.307 3.862 4.170 -0.002 0.000 0.243 338 I C 2.583 178.431 176.117 -0.448 0.000 1.085 338 I CA 1.981 62.685 61.300 -0.993 0.000 1.347 338 I CB -0.379 36.904 38.000 -1.196 0.000 1.044 338 I HN 0.541 nan 8.210 nan 0.000 0.408 339 E N 0.909 120.923 120.200 -0.311 0.000 2.058 339 E HA -0.318 4.031 4.350 -0.002 0.000 0.194 339 E C 2.309 178.847 176.600 -0.103 0.000 0.997 339 E CA 1.427 57.726 56.400 -0.167 0.000 0.801 339 E CB 0.013 29.625 29.700 -0.147 0.000 0.746 339 E HN 0.148 nan 8.360 nan 0.000 0.450 340 R N 0.594 121.038 120.500 -0.093 0.000 2.073 340 R HA -0.058 4.281 4.340 -0.002 0.000 0.234 340 R C 2.034 178.338 176.300 0.007 0.000 1.134 340 R CA 1.792 57.869 56.100 -0.039 0.000 0.952 340 R CB -0.927 29.354 30.300 -0.033 0.000 0.850 340 R HN 0.238 nan 8.270 nan 0.000 0.433 341 A N -0.450 122.400 122.820 0.049 0.000 1.940 341 A HA -0.043 4.276 4.320 -0.002 0.000 0.219 341 A C 2.355 180.014 177.584 0.125 0.000 1.176 341 A CA 1.703 53.834 52.037 0.157 0.000 0.631 341 A CB -1.344 17.907 19.000 0.420 0.000 0.814 341 A HN 0.527 nan 8.150 nan 0.000 0.446 342 G N -1.021 107.814 108.800 0.057 0.000 2.432 342 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.219 342 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.219 342 G C 1.545 176.447 174.900 0.004 0.000 1.135 342 G CA 0.931 46.041 45.100 0.016 0.000 0.767 342 G HN 0.660 nan 8.290 nan 0.000 0.550 343 Q N -0.687 119.114 119.800 0.001 0.000 2.311 343 Q HA 0.221 4.560 4.340 -0.002 0.000 0.203 343 Q C 2.057 178.066 176.000 0.014 0.000 0.954 343 Q CA 0.392 56.193 55.803 -0.002 0.000 0.885 343 Q CB 0.048 28.778 28.738 -0.012 0.000 0.963 343 Q HN 0.436 nan 8.270 nan 0.000 0.471 344 L N 0.088 121.332 121.223 0.035 0.000 2.640 344 L HA 0.170 4.510 4.340 -0.002 0.000 0.230 344 L C 0.518 177.435 176.870 0.078 0.000 1.123 344 L CA 0.004 54.871 54.840 0.045 0.000 0.900 344 L CB 0.528 42.610 42.059 0.039 0.000 1.146 344 L HN 0.124 nan 8.230 nan 0.000 0.484 345 T N -4.750 109.856 114.554 0.086 0.000 2.883 345 T HA 0.444 4.793 4.350 -0.002 0.000 0.296 345 T C -0.511 174.220 174.700 0.051 0.000 1.117 345 T CA -0.659 61.505 62.100 0.106 0.000 1.006 345 T CB 2.378 71.348 68.868 0.170 0.000 1.191 345 T HN -0.147 nan 8.240 nan 0.000 0.508 346 S N -0.108 115.613 115.700 0.035 0.000 2.451 346 S HA 0.268 4.737 4.470 -0.002 0.000 0.301 346 S C 1.100 175.694 174.600 -0.010 0.000 1.116 346 S CA -0.510 57.694 58.200 0.006 0.000 1.093 346 S CB 0.909 64.112 63.200 0.005 0.000 1.017 346 S HN 0.918 nan 8.310 nan 0.000 0.482 347 E N 3.169 123.353 120.200 -0.027 0.000 2.478 347 E HA -0.082 4.267 4.350 -0.002 0.000 0.198 347 E C 0.565 177.157 176.600 -0.014 0.000 1.046 347 E CA 0.624 57.003 56.400 -0.035 0.000 0.870 347 E CB 0.030 29.690 29.700 -0.067 0.000 0.818 347 E HN 0.597 nan 8.360 nan 0.000 0.527 348 E N 1.764 121.957 120.200 -0.012 0.000 2.204 348 E HA -0.147 4.202 4.350 -0.002 0.000 0.194 348 E C 0.961 177.555 176.600 -0.010 0.000 0.989 348 E CA 1.503 57.900 56.400 -0.005 0.000 0.824 348 E CB 0.062 29.759 29.700 -0.005 0.000 0.756 348 E HN 0.671 nan 8.360 nan 0.000 0.477 349 D N -1.445 118.942 120.400 -0.022 0.000 2.525 349 D HA 0.016 4.655 4.640 -0.002 0.000 0.231 349 D C -0.261 175.993 176.300 -0.076 0.000 1.216 349 D CA -0.055 53.920 54.000 -0.042 0.000 0.813 349 D CB 0.075 40.851 40.800 -0.040 0.000 1.108 349 D HN -0.249 nan 8.370 nan 0.000 0.524 350 T N 1.539 116.055 114.554 -0.063 0.000 2.815 350 T HA 0.429 4.778 4.350 -0.002 0.000 0.289 350 T C -0.791 173.884 174.700 -0.042 0.000 1.000 350 T CA -0.626 61.419 62.100 -0.093 0.000 0.958 350 T CB 1.711 70.540 68.868 -0.065 0.000 0.944 350 T HN 0.068 nan 8.240 nan 0.000 0.442 351 L N 3.873 125.069 121.223 -0.045 0.000 2.260 351 L HA 0.583 4.922 4.340 -0.002 0.000 0.289 351 L C -0.286 176.611 176.870 0.045 0.000 1.057 351 L CA 0.272 55.123 54.840 0.018 0.000 0.811 351 L CB 0.620 42.694 42.059 0.024 0.000 1.184 351 L HN 0.512 nan 8.230 nan 0.000 0.429 352 S N 5.859 121.646 115.700 0.145 0.000 2.449 352 S HA 0.731 5.200 4.470 -0.002 0.000 0.310 352 S C -0.750 174.122 174.600 0.453 0.000 1.096 352 S CA -0.460 57.921 58.200 0.302 0.000 1.095 352 S CB 1.268 64.752 63.200 0.473 0.000 1.007 352 S HN 0.443 nan 8.310 nan 0.000 0.474 353 L N 3.258 124.705 121.223 0.373 0.000 2.346 353 L HA 0.623 4.962 4.340 -0.002 0.000 0.276 353 L C -0.649 176.452 176.870 0.384 0.000 1.006 353 L CA -0.465 54.601 54.840 0.377 0.000 0.817 353 L CB 1.901 44.108 42.059 0.247 0.000 1.272 353 L HN 0.396 nan 8.230 nan 0.000 0.421 354 V N 2.058 122.143 119.914 0.284 0.000 2.459 354 V HA 0.833 4.952 4.120 -0.002 0.000 0.295 354 V C 0.018 176.282 176.094 0.284 0.000 1.029 354 V CA -0.280 62.145 62.300 0.208 0.000 0.874 354 V CB 1.688 33.366 31.823 -0.241 0.000 0.985 354 V HN 0.870 nan 8.190 nan 0.000 0.438 355 T N 2.715 117.397 114.554 0.212 0.000 2.665 355 T HA 0.805 5.154 4.350 -0.002 0.000 0.303 355 T C -1.400 173.297 174.700 -0.005 0.000 1.334 355 T CA 0.246 62.409 62.100 0.106 0.000 1.011 355 T CB 1.893 70.771 68.868 0.016 0.000 1.573 355 T HN 1.042 nan 8.240 nan 0.000 0.492 356 A N 0.762 123.531 122.820 -0.084 0.000 2.380 356 A HA 0.645 4.965 4.320 -0.002 0.000 0.315 356 A C 0.750 178.187 177.584 -0.245 0.000 1.101 356 A CA -0.154 51.773 52.037 -0.184 0.000 0.771 356 A CB 1.176 20.105 19.000 -0.119 0.000 1.287 356 A HN 0.894 nan 8.150 nan 0.000 0.436 357 D N 0.179 120.394 120.400 -0.308 0.000 2.183 357 D HA 0.053 4.692 4.640 -0.002 0.000 0.203 357 D C 0.518 176.802 176.300 -0.027 0.000 0.969 357 D CA 2.100 56.035 54.000 -0.108 0.000 0.842 357 D CB -0.323 40.550 40.800 0.121 0.000 0.957 357 D HN 0.849 nan 8.370 nan 0.000 0.484 358 H N -4.007 115.039 119.070 -0.040 0.000 2.849 358 H HA 0.567 5.122 4.556 -0.001 0.000 0.271 358 H C -1.011 174.284 175.328 -0.055 0.000 1.461 358 H CA -0.683 55.339 56.048 -0.044 0.000 1.146 358 H CB 0.513 30.215 29.762 -0.099 0.000 1.834 358 H HN -0.064 nan 8.280 nan 0.000 0.555 359 S N -1.343 114.459 115.700 0.169 0.000 2.667 359 S HA 0.538 5.007 4.470 -0.002 0.000 0.292 359 S C -0.998 173.670 174.600 0.112 0.000 1.108 359 S CA -0.462 57.832 58.200 0.157 0.000 0.992 359 S CB 0.711 63.997 63.200 0.143 0.000 1.269 359 S HN 0.677 nan 8.310 nan 0.000 0.528 360 H N -0.610 118.552 119.070 0.154 0.000 2.985 360 H HA 0.323 4.878 4.556 -0.002 0.000 0.360 360 H C -0.453 174.959 175.328 0.141 0.000 1.221 360 H CA -0.290 55.838 56.048 0.134 0.000 1.121 360 H CB 1.622 31.346 29.762 -0.064 0.000 1.854 360 H HN 0.467 nan 8.280 nan 0.000 0.551 361 V N 0.045 120.149 119.914 0.318 0.000 3.273 361 V HA 0.166 4.285 4.120 -0.002 0.000 0.379 361 V C 0.112 176.358 176.094 0.253 0.000 1.256 361 V CA -0.046 62.404 62.300 0.251 0.000 1.455 361 V CB -1.801 30.158 31.823 0.227 0.000 1.247 361 V HN 0.324 nan 8.190 nan 0.000 0.469 362 F N 2.881 122.810 119.950 -0.035 0.000 2.411 362 F HA 0.705 5.231 4.527 -0.002 0.000 0.350 362 F C 0.514 176.208 175.800 -0.176 0.000 1.114 362 F CA -0.395 57.406 58.000 -0.332 0.000 1.135 362 F CB 1.226 39.929 39.000 -0.496 0.000 1.120 362 F HN 0.386 nan 8.300 nan 0.000 0.495 363 S N 6.084 121.348 115.700 -0.727 0.000 2.568 363 S HA 0.685 5.154 4.470 -0.002 0.000 0.293 363 S C -1.381 172.866 174.600 -0.589 0.000 1.089 363 S CA -0.714 57.172 58.200 -0.523 0.000 0.945 363 S CB 1.930 64.986 63.200 -0.240 0.000 1.077 363 S HN 0.641 nan 8.310 nan 0.000 0.485 364 F N 1.595 121.235 119.950 -0.518 0.000 2.513 364 F HA 0.794 5.320 4.527 -0.002 0.000 0.358 364 F C 0.050 175.694 175.800 -0.261 0.000 1.118 364 F CA -0.608 57.154 58.000 -0.398 0.000 1.037 364 F CB 0.858 39.657 39.000 -0.334 0.000 1.276 364 F HN 1.019 nan 8.300 nan 0.000 0.446 365 G N 2.157 110.767 108.800 -0.317 0.000 3.183 365 G HA2 0.617 4.576 3.960 -0.002 0.000 0.247 365 G HA3 0.617 4.576 3.960 -0.002 0.000 0.247 365 G C 0.040 174.705 174.900 -0.392 0.000 1.211 365 G CA -0.253 44.584 45.100 -0.437 0.000 0.835 365 G HN 1.407 nan 8.290 nan 0.000 0.604 366 G N -1.514 107.068 108.800 -0.364 0.000 2.752 366 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.234 366 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.234 366 G C -0.657 173.818 174.900 -0.708 0.000 1.367 366 G CA 0.381 45.270 45.100 -0.351 0.000 0.879 366 G HN 1.165 nan 8.290 nan 0.000 0.563 367 Y N 1.233 121.487 120.300 -0.077 0.000 2.495 367 Y HA 0.414 4.963 4.550 -0.001 0.000 0.362 367 Y C -1.549 174.307 175.900 -0.074 0.000 0.956 367 Y CA -1.056 56.992 58.100 -0.087 0.000 1.127 367 Y CB 0.954 39.382 38.460 -0.053 0.000 1.173 367 Y HN 0.471 nan 8.280 nan 0.000 0.639 368 P HA 0.088 nan 4.420 nan 0.000 0.271 368 P C -0.019 177.307 177.300 0.044 0.000 1.218 368 P CA -0.049 63.062 63.100 0.019 0.000 0.780 368 P CB 1.611 33.338 31.700 0.044 0.000 0.901 369 L N 1.577 122.822 121.223 0.037 0.000 2.439 369 L HA 0.238 4.577 4.340 -0.002 0.000 0.269 369 L C 1.347 178.242 176.870 0.042 0.000 1.179 369 L CA -0.676 54.185 54.840 0.035 0.000 0.828 369 L CB -0.033 42.039 42.059 0.022 0.000 1.106 369 L HN 0.405 nan 8.230 nan 0.000 0.467 370 R N 1.499 122.024 120.500 0.040 0.000 2.537 370 R HA 0.152 4.491 4.340 -0.002 0.000 0.281 370 R C 0.914 177.233 176.300 0.032 0.000 0.988 370 R CA 1.230 57.357 56.100 0.044 0.000 1.077 370 R CB -0.148 30.176 30.300 0.041 0.000 0.932 370 R HN 0.825 nan 8.270 nan 0.000 0.409 371 G N 2.263 111.082 108.800 0.031 0.000 2.199 371 G HA2 -0.322 3.638 3.960 -0.002 0.000 0.254 371 G HA3 -0.322 3.638 3.960 -0.002 0.000 0.254 371 G C -0.014 174.893 174.900 0.012 0.000 0.982 371 G CA 0.378 45.488 45.100 0.016 0.000 0.632 371 G HN 0.985 nan 8.290 nan 0.000 0.529 372 S N 0.003 115.714 115.700 0.019 0.000 2.585 372 S HA 0.615 5.084 4.470 -0.002 0.000 0.273 372 S C 0.611 175.208 174.600 -0.005 0.000 1.339 372 S CA 0.656 58.864 58.200 0.013 0.000 1.028 372 S CB 1.791 65.004 63.200 0.021 0.000 0.906 372 S HN 1.583 nan 8.310 nan 0.000 0.528 373 S N 1.023 116.722 115.700 -0.002 0.000 2.549 373 S HA 0.063 4.532 4.470 -0.002 0.000 0.286 373 S C 1.022 175.562 174.600 -0.100 0.000 1.314 373 S CA -0.667 57.519 58.200 -0.025 0.000 1.062 373 S CB -0.344 62.892 63.200 0.060 0.000 0.865 373 S HN 0.714 nan 8.310 nan 0.000 0.498 374 I N 4.747 125.140 120.570 -0.295 0.000 2.567 374 I HA -0.021 4.148 4.170 -0.002 0.000 0.257 374 I C 0.750 176.603 176.117 -0.440 0.000 1.184 374 I CA 1.480 62.489 61.300 -0.485 0.000 1.451 374 I CB -0.225 37.316 38.000 -0.766 0.000 1.089 374 I HN 0.743 nan 8.210 nan 0.000 0.441 375 F N 0.184 120.161 119.950 0.046 0.000 2.732 375 F HA 0.371 4.897 4.527 -0.002 0.000 0.303 375 F C 1.585 177.411 175.800 0.043 0.000 1.110 375 F CA -0.086 57.968 58.000 0.091 0.000 1.355 375 F CB -1.245 37.843 39.000 0.147 0.000 1.081 375 F HN -0.041 nan 8.300 nan 0.000 0.565 376 G N 0.280 109.150 108.800 0.115 0.000 2.563 376 G HA2 0.489 4.448 3.960 -0.002 0.000 0.283 376 G HA3 0.489 4.448 3.960 -0.002 0.000 0.283 376 G C -0.353 174.551 174.900 0.006 0.000 1.309 376 G CA -0.671 44.459 45.100 0.051 0.000 1.022 376 G HN 0.035 nan 8.290 nan 0.000 0.501 377 L N 0.431 121.628 121.223 -0.042 0.000 2.350 377 L HA 0.488 4.827 4.340 -0.002 0.000 0.275 377 L C 1.061 177.821 176.870 -0.183 0.000 1.099 377 L CA -0.819 53.953 54.840 -0.113 0.000 0.808 377 L CB 1.281 43.280 42.059 -0.100 0.000 1.149 377 L HN 0.579 nan 8.230 nan 0.000 0.442 378 A N 4.118 126.704 122.820 -0.389 0.000 2.498 378 A HA 0.402 4.721 4.320 -0.002 0.000 0.239 378 A C -2.233 175.176 177.584 -0.292 0.000 1.068 378 A CA -0.947 50.819 52.037 -0.452 0.000 0.766 378 A CB -0.556 17.831 19.000 -1.022 0.000 1.003 378 A HN 0.451 nan 8.150 nan 0.000 0.497 379 P HA 0.394 nan 4.420 nan 0.000 0.268 379 P C 0.494 177.788 177.300 -0.011 0.000 1.205 379 P CA 1.693 64.766 63.100 -0.046 0.000 0.771 379 P CB 0.495 32.200 31.700 0.007 0.000 0.858 380 G N 1.490 110.300 108.800 0.016 0.000 2.764 380 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.686 380 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.686 380 G C -0.815 174.169 174.900 0.139 0.000 1.258 380 G CA -0.883 44.261 45.100 0.073 0.000 0.846 380 G HN 0.436 nan 8.290 nan 0.000 0.596 381 K N 0.772 121.256 120.400 0.139 0.000 2.168 381 K HA 0.690 5.009 4.320 -0.002 0.000 0.258 381 K C 1.132 177.866 176.600 0.223 0.000 1.010 381 K CA 0.260 56.651 56.287 0.174 0.000 0.929 381 K CB 1.201 33.761 32.500 0.099 0.000 0.998 381 K HN 1.205 nan 8.250 nan 0.000 0.479 382 A N 1.285 124.232 122.820 0.212 0.000 2.310 382 A HA 0.114 4.433 4.320 -0.002 0.000 0.260 382 A C 1.320 178.913 177.584 0.015 0.000 1.112 382 A CA -0.003 52.051 52.037 0.028 0.000 0.804 382 A CB 0.167 19.124 19.000 -0.071 0.000 1.081 382 A HN 0.656 nan 8.150 nan 0.000 0.499 383 R N 0.032 120.514 120.500 -0.029 0.000 2.200 383 R HA -0.126 4.213 4.340 -0.002 0.000 0.234 383 R C 0.606 176.906 176.300 0.000 0.000 1.127 383 R CA 2.021 58.114 56.100 -0.011 0.000 0.989 383 R CB -0.372 29.913 30.300 -0.024 0.000 0.869 383 R HN 0.846 nan 8.270 nan 0.000 0.459 384 D N -1.129 119.271 120.400 0.001 0.000 2.336 384 D HA 0.009 4.648 4.640 -0.002 0.000 0.228 384 D C -0.140 176.173 176.300 0.022 0.000 1.120 384 D CA -0.159 53.847 54.000 0.009 0.000 0.839 384 D CB -0.164 40.639 40.800 0.004 0.000 0.932 384 D HN 0.150 nan 8.370 nan 0.000 0.509 385 R N -1.160 119.359 120.500 0.032 0.000 3.953 385 R HA -0.188 4.151 4.340 -0.002 0.000 0.340 385 R C -0.335 175.996 176.300 0.050 0.000 1.195 385 R CA 0.956 57.080 56.100 0.040 0.000 0.929 385 R CB -1.879 28.438 30.300 0.029 0.000 1.402 385 R HN 0.350 nan 8.270 nan 0.000 0.540 386 K N 0.173 120.611 120.400 0.062 0.000 2.221 386 K HA 0.693 5.012 4.320 -0.002 0.000 0.243 386 K C 0.153 176.828 176.600 0.125 0.000 0.968 386 K CA -0.161 56.170 56.287 0.074 0.000 0.846 386 K CB 1.610 34.146 32.500 0.059 0.000 1.141 386 K HN 0.134 nan 8.250 nan 0.000 0.434 387 A N 1.124 124.010 122.820 0.111 0.000 2.346 387 A HA 0.379 4.698 4.320 -0.002 0.000 0.252 387 A C -0.861 176.862 177.584 0.232 0.000 1.089 387 A CA 0.179 52.293 52.037 0.129 0.000 0.797 387 A CB -0.106 18.920 19.000 0.044 0.000 1.047 387 A HN 0.701 nan 8.150 nan 0.000 0.494 388 Y N -1.735 118.588 120.300 0.038 0.000 2.625 388 Y HA 0.700 5.249 4.550 -0.002 0.000 0.338 388 Y C -0.041 175.896 175.900 0.062 0.000 1.123 388 Y CA -0.637 57.496 58.100 0.055 0.000 1.046 388 Y CB 0.542 39.029 38.460 0.045 0.000 1.299 388 Y HN 0.762 nan 8.280 nan 0.000 0.464 389 T N -1.404 113.232 114.554 0.136 0.000 2.928 389 T HA 0.390 4.739 4.350 -0.002 0.000 0.284 389 T C 0.680 175.398 174.700 0.030 0.000 1.008 389 T CA -0.567 61.568 62.100 0.059 0.000 1.057 389 T CB 1.603 70.604 68.868 0.221 0.000 1.018 389 T HN 0.649 nan 8.240 nan 0.000 0.493 390 V N 1.142 121.057 119.914 0.002 0.000 2.515 390 V HA 0.067 4.186 4.120 -0.002 0.000 0.250 390 V C 1.049 177.203 176.094 0.099 0.000 1.058 390 V CA 1.219 63.541 62.300 0.038 0.000 1.064 390 V CB -0.613 31.272 31.823 0.104 0.000 0.675 390 V HN 0.670 nan 8.190 nan 0.000 0.461 391 L N 0.833 122.121 121.223 0.110 0.000 2.275 391 L HA 0.518 4.857 4.340 -0.002 0.000 0.288 391 L C -0.610 176.289 176.870 0.049 0.000 1.046 391 L CA 0.096 54.950 54.840 0.025 0.000 0.805 391 L CB 1.175 43.350 42.059 0.194 0.000 1.193 391 L HN 0.134 nan 8.230 nan 0.000 0.426 392 L N 2.589 123.732 121.223 -0.133 0.000 2.409 392 L HA 0.546 4.885 4.340 -0.002 0.000 0.255 392 L C -1.397 175.346 176.870 -0.211 0.000 1.027 392 L CA -0.773 54.055 54.840 -0.019 0.000 0.834 392 L CB 2.624 44.716 42.059 0.055 0.000 1.426 392 L HN 0.297 nan 8.230 nan 0.000 0.411 393 Y N -1.083 119.313 120.300 0.161 0.000 2.509 393 Y HA 0.414 4.963 4.550 -0.001 0.000 0.341 393 Y C 1.001 176.975 175.900 0.124 0.000 1.038 393 Y CA -0.252 57.947 58.100 0.166 0.000 1.089 393 Y CB 2.042 40.619 38.460 0.196 0.000 1.241 393 Y HN 0.641 nan 8.280 nan 0.000 0.468 394 G N 1.200 110.161 108.800 0.269 0.000 2.402 394 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.216 394 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.216 394 G C -0.016 174.993 174.900 0.182 0.000 1.162 394 G CA 0.963 46.170 45.100 0.178 0.000 0.777 394 G HN 0.708 nan 8.290 nan 0.000 0.539 395 N N -2.283 116.543 118.700 0.210 0.000 2.647 395 N HA 0.630 5.369 4.740 -0.002 0.000 0.266 395 N C -0.241 175.357 175.510 0.145 0.000 1.373 395 N CA -0.011 53.128 53.050 0.149 0.000 0.807 395 N CB 1.356 39.900 38.487 0.094 0.000 1.513 395 N HN 0.787 nan 8.380 nan 0.000 0.505 396 G N -1.470 107.386 108.800 0.093 0.000 2.347 396 G HA2 0.067 4.026 3.960 -0.002 0.000 0.341 396 G HA3 0.067 4.026 3.960 -0.002 0.000 0.341 396 G C -2.692 172.241 174.900 0.055 0.000 1.287 396 G CA -0.445 44.683 45.100 0.047 0.000 0.984 396 G HN 0.556 nan 8.290 nan 0.000 0.526 397 P HA 0.143 nan 4.420 nan 0.000 0.249 397 P C 1.394 178.711 177.300 0.029 0.000 1.241 397 P CA 1.295 64.412 63.100 0.029 0.000 0.781 397 P CB 0.126 31.829 31.700 0.006 0.000 1.088 398 G N -1.208 107.609 108.800 0.029 0.000 2.985 398 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.209 398 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.209 398 G C 0.040 174.990 174.900 0.083 0.000 1.165 398 G CA -0.136 44.969 45.100 0.009 0.000 0.776 398 G HN 0.234 nan 8.290 nan 0.000 0.541 399 Y N 1.441 121.756 120.300 0.025 0.000 2.544 399 Y HA 0.403 4.952 4.550 -0.001 0.000 0.330 399 Y C -0.476 175.442 175.900 0.030 0.000 1.136 399 Y CA -0.198 57.925 58.100 0.039 0.000 1.417 399 Y CB 0.715 39.200 38.460 0.041 0.000 1.229 399 Y HN -0.105 nan 8.280 nan 0.000 0.532 400 V N 7.837 127.535 119.914 -0.359 0.000 2.841 400 V HA 0.422 4.541 4.120 -0.002 0.000 0.310 400 V C -0.829 175.069 176.094 -0.326 0.000 1.090 400 V CA -1.167 61.015 62.300 -0.196 0.000 0.930 400 V CB 2.129 33.911 31.823 -0.068 0.000 1.014 400 V HN 0.625 nan 8.190 nan 0.000 0.425 401 L N 3.957 125.102 121.223 -0.130 0.000 2.349 401 L HA 0.611 4.950 4.340 -0.002 0.000 0.278 401 L C -0.341 176.518 176.870 -0.019 0.000 0.996 401 L CA -0.439 54.354 54.840 -0.079 0.000 0.825 401 L CB 1.859 43.911 42.059 -0.012 0.000 1.243 401 L HN 0.554 nan 8.230 nan 0.000 0.412 402 K N 3.923 124.313 120.400 -0.017 0.000 2.307 402 K HA 0.195 4.514 4.320 -0.002 0.000 0.263 402 K C -0.659 175.945 176.600 0.006 0.000 0.973 402 K CA -0.424 55.865 56.287 0.003 0.000 0.846 402 K CB 0.971 33.475 32.500 0.007 0.000 1.100 402 K HN 0.604 nan 8.250 nan 0.000 0.438 403 D N 3.655 124.062 120.400 0.012 0.000 2.701 403 D HA -0.202 4.437 4.640 -0.002 0.000 0.235 403 D C 0.628 176.935 176.300 0.013 0.000 1.155 403 D CA 1.633 55.641 54.000 0.013 0.000 0.649 403 D CB -1.066 39.741 40.800 0.012 0.000 1.050 403 D HN 1.114 nan 8.370 nan 0.000 0.425 404 G N -1.541 107.268 108.800 0.015 0.000 2.184 404 G HA2 -0.059 3.900 3.960 -0.002 0.000 0.264 404 G HA3 -0.059 3.900 3.960 -0.002 0.000 0.264 404 G C 0.303 175.210 174.900 0.011 0.000 0.975 404 G CA 0.699 45.811 45.100 0.019 0.000 0.642 404 G HN 1.297 nan 8.290 nan 0.000 0.536 405 A N -0.792 122.027 122.820 -0.002 0.000 2.515 405 A HA 0.855 5.174 4.320 -0.002 0.000 0.296 405 A C 0.225 177.785 177.584 -0.039 0.000 1.094 405 A CA 0.098 52.128 52.037 -0.012 0.000 0.718 405 A CB 1.025 20.024 19.000 -0.002 0.000 1.307 405 A HN 0.836 nan 8.150 nan 0.000 0.408 406 R N 1.548 122.015 120.500 -0.055 0.000 2.538 406 R HA 0.203 4.542 4.340 -0.002 0.000 0.282 406 R C -2.284 173.999 176.300 -0.029 0.000 1.009 406 R CA -0.840 55.213 56.100 -0.079 0.000 1.063 406 R CB 0.256 30.517 30.300 -0.065 0.000 0.945 406 R HN 0.477 nan 8.270 nan 0.000 0.414 407 P HA 0.026 nan 4.420 nan 0.000 0.275 407 P C -0.870 176.456 177.300 0.045 0.000 1.228 407 P CA -0.282 62.828 63.100 0.017 0.000 0.786 407 P CB 0.756 32.473 31.700 0.029 0.000 0.927 408 D N 0.810 121.237 120.400 0.044 0.000 2.361 408 D HA 0.217 4.856 4.640 -0.002 0.000 0.239 408 D C -0.671 175.665 176.300 0.059 0.000 1.200 408 D CA 0.193 54.224 54.000 0.052 0.000 0.915 408 D CB 0.610 41.432 40.800 0.036 0.000 1.170 408 D HN -0.003 nan 8.370 nan 0.000 0.444 409 V N 0.873 120.817 119.914 0.049 0.000 2.760 409 V HA 0.422 4.541 4.120 -0.002 0.000 0.309 409 V C 0.290 176.367 176.094 -0.029 0.000 1.077 409 V CA -0.917 61.392 62.300 0.015 0.000 0.910 409 V CB 1.743 33.587 31.823 0.035 0.000 1.008 409 V HN 0.766 nan 8.190 nan 0.000 0.424 410 T N -0.708 113.805 114.554 -0.069 0.000 2.952 410 T HA 0.449 4.798 4.350 -0.002 0.000 0.286 410 T C 0.726 175.362 174.700 -0.106 0.000 1.024 410 T CA -0.568 61.492 62.100 -0.067 0.000 1.029 410 T CB 1.996 70.834 68.868 -0.050 0.000 1.094 410 T HN 0.564 nan 8.240 nan 0.000 0.515 411 E N 0.565 120.722 120.200 -0.072 0.000 2.110 411 E HA -0.133 4.216 4.350 -0.002 0.000 0.193 411 E C 2.157 178.709 176.600 -0.080 0.000 0.988 411 E CA 1.411 57.772 56.400 -0.066 0.000 0.804 411 E CB -0.405 29.276 29.700 -0.031 0.000 0.745 411 E HN 0.714 nan 8.360 nan 0.000 0.458 412 S N 0.447 116.103 115.700 -0.073 0.000 2.383 412 S HA -0.162 4.307 4.470 -0.002 0.000 0.227 412 S C 1.796 176.326 174.600 -0.116 0.000 1.026 412 S CA 1.225 59.381 58.200 -0.072 0.000 0.981 412 S CB 0.044 63.214 63.200 -0.050 0.000 0.818 412 S HN 0.211 nan 8.310 nan 0.000 0.472 413 E N 0.827 120.934 120.200 -0.155 0.000 2.047 413 E HA -0.096 4.253 4.350 -0.002 0.000 0.191 413 E C 2.415 178.715 176.600 -0.500 0.000 0.987 413 E CA 1.493 57.755 56.400 -0.230 0.000 0.799 413 E CB -0.203 29.379 29.700 -0.196 0.000 0.752 413 E HN 0.734 nan 8.360 nan 0.000 0.449 414 S N -0.180 115.161 115.700 -0.598 0.000 2.447 414 S HA -0.050 4.419 4.470 -0.002 0.000 0.233 414 S C 1.940 176.399 174.600 -0.234 0.000 1.006 414 S CA 0.886 58.620 58.200 -0.776 0.000 0.957 414 S CB -0.026 62.944 63.200 -0.383 0.000 0.773 414 S HN 0.270 nan 8.310 nan 0.000 0.507 415 G N 0.770 109.489 108.800 -0.135 0.000 3.042 415 G HA2 0.209 4.168 3.960 -0.002 0.000 0.212 415 G HA3 0.209 4.168 3.960 -0.002 0.000 0.212 415 G C 0.321 175.098 174.900 -0.204 0.000 1.166 415 G CA 0.119 45.195 45.100 -0.040 0.000 0.767 415 G HN 0.552 nan 8.290 nan 0.000 0.546 416 S N 0.693 116.266 115.700 -0.211 0.000 2.564 416 S HA 0.292 4.761 4.470 -0.002 0.000 0.278 416 S C -1.038 173.273 174.600 -0.481 0.000 1.333 416 S CA -1.066 56.967 58.200 -0.278 0.000 1.048 416 S CB 1.581 64.707 63.200 -0.123 0.000 0.900 416 S HN -0.042 nan 8.310 nan 0.000 0.505 417 P HA 0.017 nan 4.420 nan 0.000 0.225 417 P C 0.317 177.412 177.300 -0.341 0.000 1.148 417 P CA 0.833 63.384 63.100 -0.916 0.000 0.779 417 P CB 0.139 31.379 31.700 -0.766 0.000 0.780 418 E N -2.867 117.222 120.200 -0.185 0.000 2.474 418 E HA 0.039 4.388 4.350 -0.002 0.000 0.195 418 E C 0.063 176.661 176.600 -0.003 0.000 1.039 418 E CA -0.316 56.044 56.400 -0.068 0.000 0.881 418 E CB -0.611 29.070 29.700 -0.032 0.000 0.970 418 E HN 0.252 nan 8.360 nan 0.000 0.486 419 Y N 2.024 122.262 120.300 -0.104 0.000 2.526 419 Y HA 0.074 4.623 4.550 -0.001 0.000 0.330 419 Y C -0.068 175.851 175.900 0.032 0.000 1.156 419 Y CA -0.162 57.921 58.100 -0.028 0.000 1.419 419 Y CB 0.407 38.855 38.460 -0.020 0.000 1.250 419 Y HN -0.196 nan 8.280 nan 0.000 0.540 420 R N 5.366 125.460 120.500 -0.675 0.000 2.229 420 R HA 0.212 4.552 4.340 -0.002 0.000 0.332 420 R C -0.528 175.311 176.300 -0.768 0.000 0.989 420 R CA -0.948 54.861 56.100 -0.485 0.000 0.842 420 R CB 1.005 31.142 30.300 -0.271 0.000 1.119 420 R HN 0.671 nan 8.270 nan 0.000 0.456 421 Q N 1.874 121.564 119.800 -0.184 0.000 2.395 421 Q HA 0.007 4.346 4.340 -0.002 0.000 0.271 421 Q C -0.064 176.033 176.000 0.162 0.000 1.026 421 Q CA 0.462 56.339 55.803 0.123 0.000 0.900 421 Q CB 0.540 29.564 28.738 0.477 0.000 1.266 421 Q HN 0.351 nan 8.270 nan 0.000 0.430 422 Q N 0.494 120.406 119.800 0.186 0.000 2.421 422 Q HA 0.323 4.662 4.340 -0.002 0.000 0.255 422 Q C -0.354 175.793 176.000 0.245 0.000 1.013 422 Q CA 0.036 55.939 55.803 0.166 0.000 0.895 422 Q CB 0.765 29.586 28.738 0.139 0.000 1.271 422 Q HN 0.767 nan 8.270 nan 0.000 0.460 423 S N -0.729 115.121 115.700 0.250 0.000 2.704 423 S HA 0.670 5.139 4.470 -0.002 0.000 0.296 423 S C 0.061 174.861 174.600 0.333 0.000 1.138 423 S CA -0.364 58.009 58.200 0.288 0.000 0.875 423 S CB 1.486 64.854 63.200 0.281 0.000 1.151 423 S HN 0.620 nan 8.310 nan 0.000 0.500 424 A N 0.076 123.051 122.820 0.257 0.000 2.072 424 A HA 0.538 4.857 4.320 -0.002 0.000 0.216 424 A C 0.396 178.067 177.584 0.144 0.000 1.156 424 A CA 0.571 52.749 52.037 0.236 0.000 0.701 424 A CB -0.286 18.790 19.000 0.126 0.000 0.816 424 A HN 0.934 nan 8.150 nan 0.000 0.458 425 V N 1.697 121.633 119.914 0.037 0.000 2.612 425 V HA 0.313 4.432 4.120 -0.002 0.000 0.301 425 V C -2.885 173.099 176.094 -0.183 0.000 1.059 425 V CA -1.793 60.388 62.300 -0.198 0.000 0.886 425 V CB 2.367 34.142 31.823 -0.080 0.000 1.007 425 V HN 0.181 nan 8.190 nan 0.000 0.426 426 P HA 0.405 nan 4.420 nan 0.000 0.276 426 P C -1.145 176.115 177.300 -0.067 0.000 1.243 426 P CA 0.037 63.053 63.100 -0.140 0.000 0.768 426 P CB 1.153 32.745 31.700 -0.179 0.000 0.856 427 L N 2.648 123.870 121.223 -0.002 0.000 2.434 427 L HA 0.306 4.645 4.340 -0.002 0.000 0.260 427 L C 1.165 178.047 176.870 0.019 0.000 0.983 427 L CA -0.778 54.065 54.840 0.004 0.000 0.820 427 L CB 2.115 44.184 42.059 0.017 0.000 1.361 427 L HN 0.136 nan 8.230 nan 0.000 0.410 428 D N 1.035 121.443 120.400 0.014 0.000 2.149 428 D HA -0.128 4.511 4.640 -0.002 0.000 0.198 428 D C 0.362 176.675 176.300 0.023 0.000 0.990 428 D CA 1.475 55.484 54.000 0.016 0.000 0.839 428 D CB 0.356 41.161 40.800 0.007 0.000 0.948 428 D HN 0.661 nan 8.370 nan 0.000 0.460 429 E N 0.239 120.459 120.200 0.033 0.000 2.256 429 E HA 0.266 4.615 4.350 -0.002 0.000 0.268 429 E C -0.388 176.290 176.600 0.131 0.000 0.877 429 E CA -0.902 55.545 56.400 0.078 0.000 0.757 429 E CB 2.175 31.895 29.700 0.034 0.000 1.183 429 E HN -0.201 nan 8.360 nan 0.000 0.418 430 E N 2.692 122.987 120.200 0.158 0.000 2.436 430 E HA 0.003 4.352 4.350 -0.002 0.000 0.262 430 E C -0.469 176.321 176.600 0.315 0.000 1.063 430 E CA 0.304 56.803 56.400 0.165 0.000 0.944 430 E CB 0.966 30.671 29.700 0.008 0.000 0.950 430 E HN 0.678 nan 8.360 nan 0.000 0.444 431 T N 1.201 115.893 114.554 0.229 0.000 2.922 431 T HA 0.287 4.636 4.350 -0.002 0.000 0.285 431 T C 0.372 175.176 174.700 0.174 0.000 1.005 431 T CA -0.537 61.669 62.100 0.178 0.000 1.061 431 T CB 0.492 69.414 68.868 0.089 0.000 1.007 431 T HN 0.511 nan 8.240 nan 0.000 0.502 432 H N 0.230 119.274 119.070 -0.043 0.000 2.964 432 H HA 0.425 4.980 4.556 -0.001 0.000 0.368 432 H C 0.570 175.846 175.328 -0.086 0.000 1.212 432 H CA -0.281 55.585 56.048 -0.304 0.000 1.421 432 H CB 0.372 29.885 29.762 -0.414 0.000 1.385 432 H HN 0.955 nan 8.280 nan 0.000 0.614 433 A N 0.441 123.318 122.820 0.094 0.000 2.384 433 A HA 0.519 4.838 4.320 -0.002 0.000 0.312 433 A C 1.063 178.725 177.584 0.130 0.000 1.113 433 A CA -0.170 51.939 52.037 0.119 0.000 0.779 433 A CB 1.287 20.363 19.000 0.126 0.000 1.307 433 A HN 0.841 nan 8.150 nan 0.000 0.436 434 G N 0.118 108.991 108.800 0.121 0.000 3.088 434 G HA2 0.271 4.230 3.960 -0.002 0.000 0.217 434 G HA3 0.271 4.230 3.960 -0.002 0.000 0.217 434 G C 0.415 175.382 174.900 0.112 0.000 1.159 434 G CA 0.345 45.524 45.100 0.133 0.000 0.760 434 G HN 0.803 nan 8.290 nan 0.000 0.550 435 E N 1.507 121.763 120.200 0.093 0.000 2.371 435 E HA 0.079 4.428 4.350 -0.002 0.000 0.257 435 E C -1.053 175.593 176.600 0.076 0.000 1.134 435 E CA -0.483 55.960 56.400 0.071 0.000 0.919 435 E CB 0.715 30.448 29.700 0.055 0.000 1.025 435 E HN -0.042 nan 8.360 nan 0.000 0.438 436 D N 0.543 120.976 120.400 0.055 0.000 2.449 436 D HA 0.144 4.783 4.640 -0.002 0.000 0.236 436 D C 0.269 176.590 176.300 0.035 0.000 1.149 436 D CA 0.020 54.047 54.000 0.045 0.000 0.878 436 D CB 0.860 41.672 40.800 0.019 0.000 1.198 436 D HN 0.411 nan 8.370 nan 0.000 0.446 437 V N -2.003 117.925 119.914 0.023 0.000 2.994 437 V HA 0.851 4.970 4.120 -0.002 0.000 0.318 437 V C -0.044 176.022 176.094 -0.047 0.000 1.085 437 V CA -1.203 61.101 62.300 0.006 0.000 0.998 437 V CB 1.491 33.320 31.823 0.011 0.000 1.063 437 V HN 0.592 nan 8.190 nan 0.000 0.447 438 A N 1.650 124.416 122.820 -0.090 0.000 2.322 438 A HA 0.749 5.068 4.320 -0.002 0.000 0.269 438 A C -0.255 177.178 177.584 -0.253 0.000 1.094 438 A CA -0.462 51.409 52.037 -0.277 0.000 0.807 438 A CB 0.764 19.431 19.000 -0.556 0.000 1.047 438 A HN 1.405 nan 8.150 nan 0.000 0.487 439 V N 1.757 121.489 119.914 -0.304 0.000 2.487 439 V HA 0.493 4.612 4.120 -0.002 0.000 0.298 439 V C -1.085 174.867 176.094 -0.235 0.000 1.028 439 V CA -0.229 61.992 62.300 -0.131 0.000 0.860 439 V CB 0.847 32.685 31.823 0.025 0.000 0.991 439 V HN 0.672 nan 8.190 nan 0.000 0.427 440 F N 2.620 122.603 119.950 0.056 0.000 2.480 440 F HA 0.875 5.401 4.527 -0.002 0.000 0.329 440 F C 0.431 176.412 175.800 0.302 0.000 1.091 440 F CA -0.577 57.480 58.000 0.095 0.000 0.972 440 F CB 2.022 40.894 39.000 -0.215 0.000 1.150 440 F HN 0.602 nan 8.300 nan 0.000 0.467 441 A N 3.488 126.716 122.820 0.681 0.000 2.486 441 A HA 0.894 5.213 4.320 -0.002 0.000 0.300 441 A C -1.140 176.775 177.584 0.551 0.000 1.048 441 A CA -0.832 51.589 52.037 0.641 0.000 0.696 441 A CB 2.133 21.390 19.000 0.428 0.000 1.278 441 A HN 0.873 nan 8.150 nan 0.000 0.405 442 R N 1.159 121.833 120.500 0.290 0.000 2.707 442 R HA 0.688 5.027 4.340 -0.002 0.000 0.272 442 R C 0.058 176.397 176.300 0.066 0.000 1.011 442 R CA 0.421 56.543 56.100 0.037 0.000 0.893 442 R CB 1.839 31.834 30.300 -0.508 0.000 1.233 442 R HN 2.604 nan 8.270 nan 0.000 0.464 443 G N 2.119 110.970 108.800 0.085 0.000 2.483 443 G HA2 -0.106 3.853 3.960 -0.002 0.000 0.521 443 G HA3 -0.106 3.853 3.960 -0.002 0.000 0.521 443 G C -2.948 172.016 174.900 0.106 0.000 1.278 443 G CA -0.958 44.180 45.100 0.064 0.000 0.965 443 G HN 0.479 nan 8.290 nan 0.000 0.504 444 P HA 0.337 nan 4.420 nan 0.000 0.266 444 P C 0.113 177.470 177.300 0.094 0.000 1.215 444 P CA 0.841 63.987 63.100 0.077 0.000 0.763 444 P CB 0.789 32.502 31.700 0.023 0.000 0.806 445 Q N 1.455 121.352 119.800 0.161 0.000 2.385 445 Q HA -0.253 4.086 4.340 -0.002 0.000 0.215 445 Q C 1.265 177.219 176.000 -0.078 0.000 0.671 445 Q CA 1.490 57.339 55.803 0.077 0.000 1.335 445 Q CB -2.809 26.004 28.738 0.125 0.000 1.425 445 Q HN 0.615 nan 8.270 nan 0.000 0.781 446 A N 1.094 123.942 122.820 0.046 0.000 2.019 446 A HA -0.200 4.119 4.320 -0.002 0.000 0.219 446 A C 1.737 179.119 177.584 -0.337 0.000 1.164 446 A CA 1.713 53.779 52.037 0.047 0.000 0.644 446 A CB -0.904 18.275 19.000 0.298 0.000 0.805 446 A HN 0.690 nan 8.150 nan 0.000 0.449 447 H N -0.391 118.255 119.070 -0.708 0.000 2.543 447 H HA 0.022 4.577 4.556 -0.001 0.000 0.286 447 H C 1.504 176.580 175.328 -0.421 0.000 1.037 447 H CA 1.224 56.553 56.048 -1.197 0.000 1.250 447 H CB -0.630 28.695 29.762 -0.729 0.000 1.373 447 H HN 0.476 nan 8.280 nan 0.000 0.580 448 L N 1.087 121.910 121.223 -0.667 0.000 2.395 448 L HA 0.031 4.370 4.340 -0.002 0.000 0.218 448 L C 0.619 177.617 176.870 0.213 0.000 1.130 448 L CA 0.007 54.711 54.840 -0.228 0.000 0.826 448 L CB 0.157 42.085 42.059 -0.218 0.000 0.941 448 L HN 0.018 nan 8.230 nan 0.000 0.451 449 V N 1.411 121.419 119.914 0.156 0.000 2.381 449 V HA 0.072 4.191 4.120 -0.002 0.000 0.257 449 V C -0.257 175.937 176.094 0.166 0.000 1.057 449 V CA -0.092 62.364 62.300 0.262 0.000 1.013 449 V CB -0.731 31.250 31.823 0.264 0.000 1.069 449 V HN 0.469 nan 8.190 nan 0.000 0.484 450 H N 2.298 121.320 119.070 -0.079 0.000 3.014 450 H HA 0.771 5.326 4.556 -0.001 0.000 0.337 450 H C 0.112 175.352 175.328 -0.148 0.000 1.320 450 H CA -0.091 55.915 56.048 -0.070 0.000 1.128 450 H CB 1.334 31.061 29.762 -0.057 0.000 1.862 450 H HN 0.892 nan 8.280 nan 0.000 0.536 451 G N -0.329 108.335 108.800 -0.226 0.000 2.569 451 G HA2 -0.183 3.776 3.960 -0.002 0.000 0.259 451 G HA3 -0.183 3.776 3.960 -0.002 0.000 0.259 451 G C -0.987 173.747 174.900 -0.277 0.000 1.263 451 G CA -0.064 44.878 45.100 -0.263 0.000 0.928 451 G HN 1.037 nan 8.290 nan 0.000 0.572 452 V N 2.129 121.887 119.914 -0.260 0.000 2.384 452 V HA 0.662 4.781 4.120 -0.002 0.000 0.287 452 V C -0.112 175.834 176.094 -0.246 0.000 1.020 452 V CA -0.501 61.685 62.300 -0.191 0.000 0.850 452 V CB 1.461 33.221 31.823 -0.105 0.000 0.987 452 V HN 0.738 nan 8.190 nan 0.000 0.436 453 Q N 2.228 121.892 119.800 -0.227 0.000 2.423 453 Q HA 0.492 4.831 4.340 -0.002 0.000 0.278 453 Q C -0.632 175.329 176.000 -0.065 0.000 1.097 453 Q CA -0.874 54.784 55.803 -0.242 0.000 0.809 453 Q CB 2.496 30.965 28.738 -0.448 0.000 1.391 453 Q HN 0.624 nan 8.270 nan 0.000 0.428 454 E N 1.437 121.633 120.200 -0.006 0.000 2.415 454 E HA -0.091 4.258 4.350 -0.002 0.000 0.262 454 E C 0.692 177.345 176.600 0.088 0.000 1.038 454 E CA 0.207 56.630 56.400 0.039 0.000 0.921 454 E CB 0.758 30.486 29.700 0.048 0.000 0.950 454 E HN 0.593 nan 8.360 nan 0.000 0.438 455 Q N 1.699 121.534 119.800 0.058 0.000 2.234 455 Q HA -0.179 4.160 4.340 -0.002 0.000 0.206 455 Q C 1.573 177.699 176.000 0.210 0.000 0.980 455 Q CA 2.008 57.891 55.803 0.133 0.000 0.869 455 Q CB 0.001 28.808 28.738 0.116 0.000 0.912 455 Q HN 0.720 nan 8.270 nan 0.000 0.436 456 T N -1.812 112.849 114.554 0.179 0.000 2.897 456 T HA -0.186 4.163 4.350 -0.002 0.000 0.271 456 T C 1.370 176.284 174.700 0.358 0.000 1.084 456 T CA 0.925 63.174 62.100 0.247 0.000 1.123 456 T CB -0.563 68.432 68.868 0.211 0.000 0.865 456 T HN 0.363 nan 8.240 nan 0.000 0.496 457 F N 1.837 121.876 119.950 0.149 0.000 2.202 457 F HA 0.032 4.558 4.527 -0.002 0.000 0.301 457 F C 1.859 177.771 175.800 0.187 0.000 1.082 457 F CA 0.575 58.657 58.000 0.136 0.000 1.313 457 F CB -0.412 38.612 39.000 0.039 0.000 1.024 457 F HN 0.121 nan 8.300 nan 0.000 0.495 458 I N -0.080 120.668 120.570 0.296 0.000 2.163 458 I HA -0.354 3.815 4.170 -0.002 0.000 0.243 458 I C 2.688 178.906 176.117 0.168 0.000 1.085 458 I CA 1.384 62.823 61.300 0.231 0.000 1.347 458 I CB -0.929 37.244 38.000 0.288 0.000 1.044 458 I HN 0.198 nan 8.210 nan 0.000 0.408 459 A N -0.104 122.830 122.820 0.191 0.000 1.877 459 A HA -0.228 4.091 4.320 -0.002 0.000 0.216 459 A C 2.250 179.853 177.584 0.031 0.000 1.186 459 A CA 1.521 53.628 52.037 0.117 0.000 0.620 459 A CB -0.979 18.045 19.000 0.040 0.000 0.822 459 A HN 0.444 nan 8.150 nan 0.000 0.443 460 H N -1.373 117.705 119.070 0.014 0.000 2.353 460 H HA -0.094 4.461 4.556 -0.002 0.000 0.300 460 H C 2.309 177.542 175.328 -0.159 0.000 1.090 460 H CA 1.708 57.765 56.048 0.015 0.000 1.327 460 H CB -0.421 29.323 29.762 -0.030 0.000 1.383 460 H HN 0.329 nan 8.280 nan 0.000 0.508 461 V N 1.168 120.905 119.914 -0.294 0.000 2.515 461 V HA -0.226 3.893 4.120 -0.002 0.000 0.250 461 V C 2.292 178.383 176.094 -0.005 0.000 1.058 461 V CA 1.233 63.358 62.300 -0.292 0.000 1.064 461 V CB -0.344 31.201 31.823 -0.463 0.000 0.675 461 V HN 0.305 nan 8.190 nan 0.000 0.461 462 M N -0.372 119.255 119.600 0.046 0.000 2.099 462 M HA -0.084 4.395 4.480 -0.002 0.000 0.262 462 M C 2.370 178.749 176.300 0.132 0.000 1.067 462 M CA 2.094 57.461 55.300 0.111 0.000 1.124 462 M CB -0.603 32.107 32.600 0.182 0.000 1.353 462 M HN 0.440 nan 8.290 nan 0.000 0.410 463 A N 0.175 123.093 122.820 0.163 0.000 1.902 463 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 463 A C 2.010 179.741 177.584 0.245 0.000 1.181 463 A CA 1.444 53.607 52.037 0.210 0.000 0.623 463 A CB -1.007 18.144 19.000 0.252 0.000 0.818 463 A HN 0.529 nan 8.150 nan 0.000 0.443 464 F N 1.154 121.132 119.950 0.045 0.000 2.102 464 F HA -0.073 4.453 4.527 -0.002 0.000 0.298 464 F C 2.471 178.240 175.800 -0.052 0.000 1.105 464 F CA 1.339 59.254 58.000 -0.141 0.000 1.239 464 F CB -0.551 38.127 39.000 -0.538 0.000 0.991 464 F HN 0.234 nan 8.300 nan 0.000 0.474 465 A N 0.228 122.958 122.820 -0.151 0.000 1.978 465 A HA -0.002 4.317 4.320 -0.002 0.000 0.220 465 A C 2.160 179.611 177.584 -0.221 0.000 1.170 465 A CA 1.635 53.541 52.037 -0.218 0.000 0.636 465 A CB -1.442 17.547 19.000 -0.019 0.000 0.810 465 A HN 0.533 nan 8.150 nan 0.000 0.448 466 A N -2.419 120.328 122.820 -0.122 0.000 2.345 466 A HA 0.376 4.695 4.320 -0.002 0.000 0.225 466 A C 1.029 178.563 177.584 -0.084 0.000 1.243 466 A CA 0.553 52.542 52.037 -0.080 0.000 0.875 466 A CB -1.132 17.865 19.000 -0.006 0.000 0.929 466 A HN 1.023 nan 8.150 nan 0.000 0.502 467 c N -0.824 117.689 118.600 -0.145 0.000 4.365 467 c HA -0.144 4.425 4.570 -0.002 0.000 0.299 467 c C 0.595 174.691 174.090 0.009 0.000 1.409 467 c CA 0.063 56.339 56.329 -0.089 0.000 2.007 467 c CB -3.216 39.230 42.510 -0.106 0.000 1.264 467 c HN 0.576 nan 8.230 nan 0.000 0.777 468 L N 0.720 121.976 121.223 0.054 0.000 2.379 468 L HA 0.398 4.737 4.340 -0.002 0.000 0.269 468 L C 0.991 177.891 176.870 0.050 0.000 1.084 468 L CA -0.363 54.507 54.840 0.050 0.000 0.802 468 L CB 0.278 42.368 42.059 0.053 0.000 1.175 468 L HN 0.221 nan 8.230 nan 0.000 0.448 469 E N 3.023 123.216 120.200 -0.012 0.000 2.829 469 E HA -0.097 4.252 4.350 -0.002 0.000 0.264 469 E C -1.793 174.707 176.600 -0.166 0.000 0.922 469 E CA -0.510 55.841 56.400 -0.083 0.000 0.960 469 E CB 0.206 29.864 29.700 -0.070 0.000 0.918 469 E HN 0.333 nan 8.360 nan 0.000 0.497 470 P HA 0.031 nan 4.420 nan 0.000 0.253 470 P C -0.380 176.635 177.300 -0.476 0.000 1.459 470 P CA 0.403 63.233 63.100 -0.449 0.000 0.908 470 P CB -0.227 31.168 31.700 -0.508 0.000 1.470 471 Y N -0.210 120.139 120.300 0.083 0.000 2.736 471 Y HA 0.113 4.663 4.550 -0.001 0.000 0.293 471 Y C 2.042 177.969 175.900 0.046 0.000 1.062 471 Y CA -0.340 57.832 58.100 0.120 0.000 1.247 471 Y CB -0.131 38.471 38.460 0.236 0.000 1.200 471 Y HN -0.050 nan 8.280 nan 0.000 0.552 472 T N -2.565 112.050 114.554 0.101 0.000 2.881 472 T HA -0.144 4.206 4.350 -0.002 0.000 0.270 472 T C 1.505 176.242 174.700 0.061 0.000 1.068 472 T CA 0.988 63.121 62.100 0.055 0.000 1.131 472 T CB -0.044 68.839 68.868 0.024 0.000 0.871 472 T HN 0.363 nan 8.240 nan 0.000 0.479 473 A N 1.013 123.892 122.820 0.099 0.000 3.105 473 A HA 0.435 4.754 4.320 -0.002 0.000 0.272 473 A C 2.032 179.704 177.584 0.145 0.000 1.466 473 A CA -0.030 52.067 52.037 0.100 0.000 1.101 473 A CB -1.653 17.406 19.000 0.098 0.000 1.065 473 A HN 0.836 nan 8.150 nan 0.000 0.643 474 c N -1.675 116.986 118.600 0.101 0.000 2.432 474 c HA 0.022 4.591 4.570 -0.002 0.000 0.282 474 c C 0.566 174.716 174.090 0.100 0.000 1.388 474 c CA 0.230 56.603 56.329 0.074 0.000 1.777 474 c CB -0.770 41.551 42.510 -0.314 0.000 1.882 474 c HN 0.690 nan 8.230 nan 0.000 0.520 475 D N 0.517 120.952 120.400 0.059 0.000 2.772 475 D HA -0.135 4.504 4.640 -0.002 0.000 0.233 475 D C -0.269 176.054 176.300 0.038 0.000 1.143 475 D CA 0.929 54.965 54.000 0.060 0.000 0.700 475 D CB -1.379 39.478 40.800 0.095 0.000 1.076 475 D HN 0.631 nan 8.370 nan 0.000 0.430 476 L N -0.370 120.839 121.223 -0.024 0.000 2.344 476 L HA 0.683 5.022 4.340 -0.002 0.000 0.272 476 L C 1.140 177.994 176.870 -0.027 0.000 1.035 476 L CA -0.920 53.898 54.840 -0.036 0.000 0.807 476 L CB 1.380 43.363 42.059 -0.127 0.000 1.237 476 L HN 0.023 nan 8.230 nan 0.000 0.442 477 A N 2.578 125.390 122.820 -0.014 0.000 2.346 477 A HA 0.515 4.834 4.320 -0.002 0.000 0.252 477 A C -2.333 175.236 177.584 -0.024 0.000 1.089 477 A CA -1.133 50.897 52.037 -0.012 0.000 0.797 477 A CB -0.498 18.501 19.000 -0.003 0.000 1.047 477 A HN 0.443 nan 8.150 nan 0.000 0.494 478 P HA 0.152 nan 4.420 nan 0.000 0.267 478 P C -2.413 174.872 177.300 -0.023 0.000 1.201 478 P CA -0.494 62.593 63.100 -0.022 0.000 0.775 478 P CB -0.429 31.263 31.700 -0.013 0.000 0.854 479 P HA -0.005 nan 4.420 nan 0.000 0.265 479 P C -0.351 176.938 177.300 -0.018 0.000 1.187 479 P CA 0.542 63.625 63.100 -0.029 0.000 0.766 479 P CB 0.184 31.862 31.700 -0.037 0.000 0.820 480 A N 3.458 126.270 122.820 -0.014 0.000 2.425 480 A HA 0.497 4.816 4.320 -0.002 0.000 0.242 480 A C 1.109 178.689 177.584 -0.008 0.000 1.077 480 A CA 0.348 52.380 52.037 -0.008 0.000 0.781 480 A CB -0.383 18.614 19.000 -0.004 0.000 1.020 480 A HN 0.607 nan 8.150 nan 0.000 0.494 481 G N 0.000 108.798 108.800 -0.004 0.000 5.446 481 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 481 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 481 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 481 G HN 0.000 nan 8.290 nan 0.000 0.925