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 1bvn_1_P DATA FIRST_RESID 1 DATA SEQUENCE QYAPQTQSGR TDIVHLFEWR WVDIALEcER YLGPKGFGGV QVSPPNENVV DATA SEQUENCE VTNPSRPWWE RYQPVSYKLc TRSGNENEFR DMVTRcNNVG VRIYVDAVIN DATA SEQUENCE HMCGSGAAAG TGTTcGSYCN PGSREFPAVP YSAWDFNDGK cKTASGGIES DATA SEQUENCE YNDPYQVRDc QLVGLLDLAL EKDYVRSMIA DYLNKLIDIG VAGFRLDASK DATA SEQUENCE HMWPGDIKAV LDKLHNLNTN WFPAGSRPFI FQEVIDLGGE AISSSEYFGN DATA SEQUENCE GRVTEFKYGA KLGTVVRKWS GEKMSYLKNW GEGWGFMPSD RALVFVDNHD DATA SEQUENCE NQRGHGAGGS SILTFWDARL YKVAVGFMLA HPYGFTRVMS SYRWARNFVN DATA SEQUENCE GEDVNDWIGP PNNNGVIKEV TINADTTcGN DWVcEHRWRE IRNMVWFRNV DATA SEQUENCE VDGQPFANWW DNGSNQVAFG RGNRGFIVFN NDDWQLSSTL QTGLPGGTYc DATA SEQUENCE NVISGDKVGN ScTGIKVYVS SDGTAQFSIS NSAQDPFIAI HAESKL 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.762 176.000 -0.396 0.000 1.003 1 Q CA 0.000 55.698 55.803 -0.175 0.000 1.022 1 Q CB 0.000 28.672 28.738 -0.110 0.000 1.108 2 Y N -0.490 119.899 120.300 0.149 0.000 2.609 2 Y HA 0.720 5.279 4.550 0.014 0.000 0.342 2 Y C -0.322 175.648 175.900 0.117 0.000 1.058 2 Y CA -0.518 57.708 58.100 0.209 0.000 1.055 2 Y CB 1.916 40.589 38.460 0.356 0.000 1.292 2 Y HN 0.055 nan 8.280 nan 0.000 0.476 3 A N 3.027 125.967 122.820 0.202 0.000 2.290 3 A HA 0.463 4.791 4.320 0.013 0.000 0.310 3 A C -1.986 175.305 177.584 -0.489 0.000 1.202 3 A CA -1.619 50.319 52.037 -0.165 0.000 0.837 3 A CB 0.419 19.390 19.000 -0.049 0.000 1.139 3 A HN 0.552 nan 8.150 nan 0.000 0.509 4 P HA -0.168 nan 4.420 nan 0.000 0.225 4 P C -0.072 177.064 177.300 -0.272 0.000 1.148 4 P CA 0.922 63.203 63.100 -1.363 0.000 0.779 4 P CB 0.148 30.910 31.700 -1.564 0.000 0.780 5 Q N -1.311 118.400 119.800 -0.148 0.000 2.460 5 Q HA -0.134 4.214 4.340 0.013 0.000 0.248 5 Q C 0.630 176.756 176.000 0.211 0.000 0.847 5 Q CA 1.449 57.294 55.803 0.070 0.000 1.214 5 Q CB -3.174 25.568 28.738 0.006 0.000 1.523 5 Q HN 0.532 nan 8.270 nan 0.000 0.602 6 T N -2.797 111.830 114.554 0.122 0.000 2.698 6 T HA 0.258 4.616 4.350 0.013 0.000 0.295 6 T C 0.546 175.313 174.700 0.112 0.000 1.007 6 T CA -0.410 61.783 62.100 0.156 0.000 0.980 6 T CB 0.993 69.958 68.868 0.161 0.000 1.036 6 T HN 0.206 nan 8.240 nan 0.000 0.526 7 Q N 0.992 120.843 119.800 0.084 0.000 2.297 7 Q HA 0.197 4.545 4.340 0.013 0.000 0.267 7 Q C 0.305 176.341 176.000 0.060 0.000 1.006 7 Q CA -0.213 55.624 55.803 0.056 0.000 0.896 7 Q CB 0.705 29.466 28.738 0.039 0.000 1.186 7 Q HN 0.816 nan 8.270 nan 0.000 0.392 8 S N 2.154 117.885 115.700 0.051 0.000 2.573 8 S HA 0.116 4.594 4.470 0.013 0.000 0.297 8 S C 1.088 175.713 174.600 0.042 0.000 1.280 8 S CA 1.218 59.444 58.200 0.044 0.000 1.061 8 S CB -0.037 63.184 63.200 0.035 0.000 0.812 8 S HN 0.939 nan 8.310 nan 0.000 0.500 9 G N 5.265 114.088 108.800 0.038 0.000 2.349 9 G HA2 -0.188 3.780 3.960 0.013 0.000 0.213 9 G HA3 -0.188 3.780 3.960 0.013 0.000 0.213 9 G C 0.009 174.931 174.900 0.037 0.000 1.044 9 G CA -0.144 44.976 45.100 0.033 0.000 0.633 9 G HN 0.799 nan 8.290 nan 0.000 0.506 10 R N 1.248 121.782 120.500 0.057 0.000 2.357 10 R HA 0.535 4.883 4.340 0.013 0.000 0.296 10 R C 0.614 176.960 176.300 0.076 0.000 1.052 10 R CA 0.634 56.772 56.100 0.063 0.000 0.988 10 R CB 0.950 31.305 30.300 0.093 0.000 1.025 10 R HN 0.463 nan 8.270 nan 0.000 0.469 11 T N -2.674 111.890 114.554 0.016 0.000 3.275 11 T HA 0.213 4.571 4.350 0.013 0.000 0.298 11 T C -0.220 174.300 174.700 -0.300 0.000 0.988 11 T CA -0.549 61.528 62.100 -0.037 0.000 0.936 11 T CB 0.284 69.091 68.868 -0.101 0.000 1.159 11 T HN 0.421 nan 8.240 nan 0.000 0.519 12 D N 0.677 121.005 120.400 -0.121 0.000 2.523 12 D HA 0.594 5.242 4.640 0.013 0.000 0.236 12 D C -0.989 175.367 176.300 0.094 0.000 1.094 12 D CA -0.617 53.274 54.000 -0.181 0.000 0.942 12 D CB 2.677 43.375 40.800 -0.170 0.000 1.447 12 D HN 0.173 nan 8.370 nan 0.000 0.479 13 I N 0.902 121.524 120.570 0.087 0.000 2.545 13 I HA 0.258 4.436 4.170 0.013 0.000 0.292 13 I C -0.701 175.506 176.117 0.150 0.000 1.040 13 I CA -0.890 60.511 61.300 0.167 0.000 1.068 13 I CB 2.405 40.472 38.000 0.113 0.000 1.251 13 I HN 0.025 nan 8.210 nan 0.000 0.424 14 V N 4.099 124.107 119.914 0.156 0.000 2.513 14 V HA 0.320 4.448 4.120 0.013 0.000 0.299 14 V C -0.248 175.897 176.094 0.085 0.000 1.035 14 V CA -0.709 61.640 62.300 0.083 0.000 0.889 14 V CB 1.429 33.188 31.823 -0.107 0.000 0.988 14 V HN 0.696 nan 8.190 nan 0.000 0.440 15 H N 4.813 123.871 119.070 -0.021 0.000 2.741 15 H HA 0.462 5.026 4.556 0.013 0.000 0.282 15 H C -0.557 174.742 175.328 -0.048 0.000 1.122 15 H CA -0.858 55.203 56.048 0.021 0.000 1.293 15 H CB 0.770 30.566 29.762 0.058 0.000 1.415 15 H HN 0.621 nan 8.280 nan 0.000 0.472 16 L N 7.089 128.371 121.223 0.099 0.000 2.399 16 L HA 0.054 4.402 4.340 0.013 0.000 0.257 16 L C -0.090 176.873 176.870 0.156 0.000 1.236 16 L CA -0.564 54.076 54.840 -0.333 0.000 1.144 16 L CB -0.552 41.061 42.059 -0.742 0.000 1.379 16 L HN 0.597 nan 8.230 nan 0.000 0.414 17 F N 4.368 124.300 119.950 -0.030 0.000 2.514 17 F HA -0.088 4.447 4.527 0.014 0.000 0.399 17 F C 1.427 177.546 175.800 0.530 0.000 1.011 17 F CA 0.303 58.348 58.000 0.074 0.000 1.109 17 F CB -0.225 38.669 39.000 -0.177 0.000 0.980 17 F HN 0.527 nan 8.300 nan 0.000 0.538 18 E N 2.265 122.579 120.200 0.191 0.000 3.370 18 E HA -0.313 4.045 4.350 0.013 0.000 0.291 18 E C -0.479 176.264 176.600 0.239 0.000 0.916 18 E CA 0.947 57.411 56.400 0.107 0.000 0.981 18 E CB -1.678 27.957 29.700 -0.108 0.000 1.498 18 E HN 0.594 nan 8.360 nan 0.000 0.452 19 W N 1.687 122.977 121.300 -0.017 0.000 2.170 19 W HA 0.171 4.839 4.660 0.014 0.000 0.336 19 W C 1.423 177.822 176.519 -0.200 0.000 1.283 19 W CA -0.002 57.214 57.345 -0.215 0.000 1.224 19 W CB 0.308 29.665 29.460 -0.171 0.000 1.132 19 W HN -0.090 nan 8.180 nan 0.000 0.571 20 R N 2.399 122.823 120.500 -0.126 0.000 2.539 20 R HA 0.085 4.433 4.340 0.013 0.000 0.275 20 R C 1.012 177.354 176.300 0.070 0.000 1.077 20 R CA -0.385 55.582 56.100 -0.222 0.000 1.097 20 R CB 0.501 30.667 30.300 -0.223 0.000 1.018 20 R HN 0.697 nan 8.270 nan 0.000 0.483 21 W N 0.803 122.160 121.300 0.095 0.000 2.304 21 W HA -0.274 4.394 4.660 0.013 0.000 0.315 21 W C 1.974 178.514 176.519 0.036 0.000 1.233 21 W CA 0.497 57.893 57.345 0.086 0.000 1.261 21 W CB -0.375 29.163 29.460 0.130 0.000 1.150 21 W HN 0.464 nan 8.180 nan 0.000 0.494 22 V N 0.827 120.885 119.914 0.240 0.000 2.626 22 V HA -0.233 3.895 4.120 0.013 0.000 0.252 22 V C 1.628 177.770 176.094 0.080 0.000 1.067 22 V CA 2.335 64.711 62.300 0.125 0.000 1.081 22 V CB -0.485 31.381 31.823 0.072 0.000 0.686 22 V HN 0.054 nan 8.190 nan 0.000 0.468 23 D N -0.030 120.408 120.400 0.062 0.000 2.162 23 D HA -0.020 4.628 4.640 0.013 0.000 0.203 23 D C 2.080 178.504 176.300 0.207 0.000 0.967 23 D CA 1.524 55.549 54.000 0.041 0.000 0.840 23 D CB -0.024 40.680 40.800 -0.160 0.000 0.972 23 D HN 0.499 nan 8.370 nan 0.000 0.482 24 I N 1.271 121.999 120.570 0.263 0.000 2.226 24 I HA -0.248 3.930 4.170 0.013 0.000 0.245 24 I C 2.487 178.653 176.117 0.081 0.000 1.100 24 I CA 0.859 62.278 61.300 0.198 0.000 1.374 24 I CB -0.159 37.968 38.000 0.210 0.000 1.057 24 I HN -0.088 nan 8.210 nan 0.000 0.413 25 A N 0.992 123.855 122.820 0.072 0.000 1.865 25 A HA -0.213 4.115 4.320 0.013 0.000 0.217 25 A C 2.341 179.940 177.584 0.025 0.000 1.191 25 A CA 1.473 53.519 52.037 0.015 0.000 0.623 25 A CB -1.000 18.011 19.000 0.019 0.000 0.826 25 A HN 0.356 nan 8.150 nan 0.000 0.444 26 L N -0.903 120.349 121.223 0.049 0.000 1.971 26 L HA -0.277 4.071 4.340 0.013 0.000 0.215 26 L C 2.763 179.673 176.870 0.065 0.000 1.072 26 L CA 2.202 57.071 54.840 0.048 0.000 0.758 26 L CB -0.406 41.679 42.059 0.043 0.000 0.889 26 L HN 0.542 nan 8.230 nan 0.000 0.433 27 E N -0.590 119.670 120.200 0.100 0.000 2.130 27 E HA -0.250 4.108 4.350 0.013 0.000 0.196 27 E C 2.163 178.798 176.600 0.059 0.000 0.998 27 E CA 1.873 58.341 56.400 0.113 0.000 0.806 27 E CB -0.375 29.408 29.700 0.139 0.000 0.738 27 E HN 0.528 nan 8.360 nan 0.000 0.459 28 c N 0.293 118.900 118.600 0.011 0.000 2.436 28 c HA -0.114 4.464 4.570 0.013 0.000 0.277 28 c C 2.414 176.509 174.090 0.009 0.000 1.241 28 c CA 1.156 57.475 56.329 -0.016 0.000 1.721 28 c CB -0.986 41.493 42.510 -0.051 0.000 2.043 28 c HN 0.550 nan 8.230 nan 0.000 0.472 29 E N 0.648 120.856 120.200 0.014 0.000 2.007 29 E HA -0.220 4.138 4.350 0.013 0.000 0.194 29 E C 2.357 178.979 176.600 0.037 0.000 0.999 29 E CA 1.419 57.829 56.400 0.017 0.000 0.811 29 E CB -0.319 29.390 29.700 0.015 0.000 0.762 29 E HN 0.676 nan 8.360 nan 0.000 0.450 30 R N -0.636 119.902 120.500 0.064 0.000 2.148 30 R HA -0.142 4.206 4.340 0.013 0.000 0.227 30 R C 1.509 177.900 176.300 0.152 0.000 1.103 30 R CA 1.545 57.700 56.100 0.091 0.000 0.983 30 R CB -0.136 30.224 30.300 0.100 0.000 0.874 30 R HN 0.301 nan 8.270 nan 0.000 0.451 31 Y N 0.004 120.304 120.300 -0.000 0.000 3.116 31 Y HA 0.237 4.795 4.550 0.013 0.000 0.220 31 Y C 1.918 177.804 175.900 -0.022 0.000 0.965 31 Y CA -0.188 57.910 58.100 -0.003 0.000 1.476 31 Y CB 0.102 38.563 38.460 0.001 0.000 1.493 31 Y HN -0.160 nan 8.280 nan 0.000 0.423 32 L N 0.506 121.800 121.223 0.119 0.000 1.997 32 L HA -0.247 4.101 4.340 0.013 0.000 0.216 32 L C 2.551 179.477 176.870 0.092 0.000 1.074 32 L CA 1.909 56.744 54.840 -0.009 0.000 0.763 32 L CB -1.325 40.685 42.059 -0.082 0.000 0.890 32 L HN 0.500 nan 8.230 nan 0.000 0.434 33 G N 0.227 109.050 108.800 0.038 0.000 2.545 33 G HA2 -0.218 3.750 3.960 0.013 0.000 0.217 33 G HA3 -0.218 3.750 3.960 0.013 0.000 0.217 33 G C -0.595 174.311 174.900 0.010 0.000 1.218 33 G CA 1.084 46.201 45.100 0.029 0.000 0.787 33 G HN 0.332 nan 8.290 nan 0.000 0.571 34 P HA -0.055 nan 4.420 nan 0.000 0.216 34 P C 1.422 178.642 177.300 -0.132 0.000 1.150 34 P CA 1.228 64.272 63.100 -0.092 0.000 0.843 34 P CB 0.080 31.707 31.700 -0.121 0.000 0.787 35 K N -1.299 119.022 120.400 -0.131 0.000 2.458 35 K HA 0.250 4.578 4.320 0.013 0.000 0.194 35 K C 1.236 177.880 176.600 0.073 0.000 1.024 35 K CA 0.467 56.706 56.287 -0.080 0.000 1.108 35 K CB -1.184 31.262 32.500 -0.089 0.000 0.846 35 K HN 0.199 nan 8.250 nan 0.000 0.518 36 G N 1.659 110.522 108.800 0.105 0.000 2.221 36 G HA2 -0.276 3.692 3.960 0.013 0.000 0.265 36 G HA3 -0.276 3.692 3.960 0.013 0.000 0.265 36 G C -0.374 174.590 174.900 0.107 0.000 1.041 36 G CA -0.256 44.903 45.100 0.098 0.000 0.807 36 G HN 0.198 nan 8.290 nan 0.000 0.502 37 F N 0.465 120.444 119.950 0.048 0.000 2.427 37 F HA 0.505 5.041 4.527 0.014 0.000 0.352 37 F C 1.822 177.666 175.800 0.073 0.000 1.100 37 F CA 0.324 58.366 58.000 0.070 0.000 1.191 37 F CB 1.259 40.305 39.000 0.076 0.000 1.128 37 F HN 0.017 nan 8.300 nan 0.000 0.533 38 G N 1.922 110.861 108.800 0.231 0.000 2.432 38 G HA2 0.306 4.274 3.960 0.013 0.000 0.219 38 G HA3 0.306 4.274 3.960 0.013 0.000 0.219 38 G C 0.602 175.660 174.900 0.264 0.000 1.135 38 G CA 0.804 46.037 45.100 0.222 0.000 0.767 38 G HN 1.034 nan 8.290 nan 0.000 0.550 39 G N -2.413 106.571 108.800 0.307 0.000 2.430 39 G HA2 0.454 4.422 3.960 0.013 0.000 0.300 39 G HA3 0.454 4.422 3.960 0.013 0.000 0.300 39 G C -2.152 172.910 174.900 0.270 0.000 1.330 39 G CA -0.197 45.102 45.100 0.331 0.000 0.813 39 G HN 0.501 nan 8.290 nan 0.000 0.487 40 V N 0.741 120.804 119.914 0.249 0.000 2.531 40 V HA 0.526 4.654 4.120 0.013 0.000 0.301 40 V C -0.181 176.075 176.094 0.270 0.000 1.034 40 V CA -0.751 61.640 62.300 0.151 0.000 0.865 40 V CB 1.685 33.507 31.823 -0.002 0.000 0.995 40 V HN 0.741 nan 8.190 nan 0.000 0.424 41 Q N 2.714 122.650 119.800 0.228 0.000 2.279 41 Q HA 0.550 4.898 4.340 0.013 0.000 0.256 41 Q C -1.188 174.931 176.000 0.199 0.000 0.937 41 Q CA -0.013 55.924 55.803 0.223 0.000 0.933 41 Q CB 1.944 30.728 28.738 0.077 0.000 1.189 41 Q HN 0.620 nan 8.270 nan 0.000 0.417 42 V N 2.886 122.938 119.914 0.229 0.000 2.881 42 V HA 0.399 4.527 4.120 0.013 0.000 0.316 42 V C -0.325 175.994 176.094 0.376 0.000 1.070 42 V CA -0.365 62.133 62.300 0.329 0.000 0.976 42 V CB 2.441 34.441 31.823 0.295 0.000 1.038 42 V HN 0.918 nan 8.190 nan 0.000 0.446 43 S N 4.886 120.886 115.700 0.501 0.000 2.600 43 S HA 0.322 4.800 4.470 0.013 0.000 0.265 43 S C -2.565 172.266 174.600 0.384 0.000 1.325 43 S CA -0.648 57.805 58.200 0.421 0.000 1.002 43 S CB 0.640 64.057 63.200 0.362 0.000 0.921 43 S HN 0.708 nan 8.310 nan 0.000 0.554 44 P HA 0.058 nan 4.420 nan 0.000 0.256 44 P C -2.166 175.306 177.300 0.286 0.000 1.173 44 P CA -0.610 62.599 63.100 0.181 0.000 0.768 44 P CB -0.186 31.509 31.700 -0.008 0.000 0.758 45 P HA 0.054 nan 4.420 nan 0.000 0.255 45 P C -0.218 177.170 177.300 0.147 0.000 1.301 45 P CA 0.326 63.591 63.100 0.275 0.000 0.817 45 P CB 0.040 31.618 31.700 -0.204 0.000 1.259 46 N N 0.480 119.256 118.700 0.127 0.000 2.381 46 N HA 0.123 4.871 4.740 0.013 0.000 0.254 46 N C 0.104 175.623 175.510 0.015 0.000 1.264 46 N CA -0.228 52.837 53.050 0.025 0.000 0.942 46 N CB 0.452 38.932 38.487 -0.011 0.000 1.190 46 N HN 0.009 nan 8.380 nan 0.000 0.495 47 E N 0.962 121.140 120.200 -0.036 0.000 2.146 47 E HA 0.103 4.461 4.350 0.013 0.000 0.282 47 E C -0.932 175.650 176.600 -0.030 0.000 0.989 47 E CA -0.632 55.754 56.400 -0.023 0.000 0.799 47 E CB 0.283 29.964 29.700 -0.031 0.000 1.088 47 E HN 0.651 nan 8.360 nan 0.000 0.397 48 N N 2.704 121.400 118.700 -0.007 0.000 2.619 48 N HA 0.231 4.979 4.740 0.013 0.000 0.294 48 N C -0.576 174.946 175.510 0.019 0.000 1.279 48 N CA -0.704 52.352 53.050 0.010 0.000 0.867 48 N CB 1.290 39.787 38.487 0.016 0.000 1.329 48 N HN 0.259 nan 8.380 nan 0.000 0.557 49 V N 0.354 120.292 119.914 0.040 0.000 2.775 49 V HA 0.158 4.286 4.120 0.013 0.000 0.299 49 V C -0.208 175.889 176.094 0.005 0.000 1.062 49 V CA -0.459 61.859 62.300 0.029 0.000 1.063 49 V CB 1.206 33.060 31.823 0.051 0.000 0.994 49 V HN 0.434 nan 8.190 nan 0.000 0.483 50 V N 6.890 126.797 119.914 -0.012 0.000 2.461 50 V HA 0.271 4.399 4.120 0.013 0.000 0.275 50 V C -0.015 176.055 176.094 -0.040 0.000 1.047 50 V CA -0.113 62.167 62.300 -0.032 0.000 0.955 50 V CB 1.637 33.440 31.823 -0.032 0.000 0.988 50 V HN 0.661 nan 8.190 nan 0.000 0.471 51 V N 5.659 125.531 119.914 -0.070 0.000 2.275 51 V HA 0.177 4.305 4.120 0.013 0.000 0.272 51 V C 1.195 177.210 176.094 -0.131 0.000 1.028 51 V CA 0.185 62.430 62.300 -0.092 0.000 0.810 51 V CB 1.257 33.004 31.823 -0.125 0.000 1.043 51 V HN 1.058 nan 8.190 nan 0.000 0.453 52 T N 0.281 114.776 114.554 -0.099 0.000 3.113 52 T HA 0.046 4.404 4.350 0.013 0.000 0.256 52 T C 0.650 175.273 174.700 -0.129 0.000 1.131 52 T CA 0.538 62.579 62.100 -0.098 0.000 1.074 52 T CB -0.225 68.603 68.868 -0.066 0.000 0.944 52 T HN 0.536 nan 8.240 nan 0.000 0.516 53 N N 1.179 119.785 118.700 -0.158 0.000 2.664 53 N HA 0.347 5.095 4.740 0.013 0.000 0.268 53 N C -2.895 172.478 175.510 -0.228 0.000 1.222 53 N CA -1.440 51.490 53.050 -0.201 0.000 0.805 53 N CB 1.576 39.984 38.487 -0.130 0.000 1.399 53 N HN -0.099 nan 8.380 nan 0.000 0.547 54 P HA 0.188 nan 4.420 nan 0.000 0.255 54 P C -0.868 176.025 177.300 -0.679 0.000 1.301 54 P CA 0.228 62.853 63.100 -0.791 0.000 0.817 54 P CB 0.120 30.898 31.700 -1.538 0.000 1.259 55 S N 1.832 117.324 115.700 -0.346 0.000 3.974 55 S HA -0.124 4.354 4.470 0.013 0.000 0.641 55 S C -0.026 174.525 174.600 -0.081 0.000 0.627 55 S CA -0.224 57.881 58.200 -0.158 0.000 1.384 55 S CB -1.758 61.406 63.200 -0.060 0.000 0.778 55 S HN 0.311 nan 8.310 nan 0.000 0.856 56 R N -1.725 118.686 120.500 -0.150 0.000 3.201 56 R HA -0.109 4.239 4.340 0.013 0.000 0.254 56 R C -2.544 173.664 176.300 -0.153 0.000 0.978 56 R CA 1.070 57.088 56.100 -0.137 0.000 0.661 56 R CB -2.935 27.321 30.300 -0.074 0.000 1.170 56 R HN 0.626 nan 8.270 nan 0.000 0.430 57 P HA 0.090 nan 4.420 nan 0.000 0.276 57 P C 1.459 178.504 177.300 -0.426 0.000 1.261 57 P CA -0.585 62.212 63.100 -0.505 0.000 0.800 57 P CB 0.120 30.933 31.700 -1.479 0.000 1.066 58 W N 1.306 122.489 121.300 -0.194 0.000 2.402 58 W HA -0.057 4.611 4.660 0.014 0.000 0.286 58 W C 1.264 177.919 176.519 0.226 0.000 1.221 58 W CA 0.701 58.073 57.345 0.044 0.000 1.257 58 W CB -1.679 27.961 29.460 0.300 0.000 1.120 58 W HN 0.446 nan 8.180 nan 0.000 0.551 59 W N 3.485 124.453 121.300 -0.553 0.000 3.204 59 W HA 0.115 4.783 4.660 0.013 0.000 0.249 59 W C 1.154 177.653 176.519 -0.033 0.000 1.322 59 W CA 0.710 57.850 57.345 -0.341 0.000 1.593 59 W CB -1.388 27.530 29.460 -0.903 0.000 1.122 59 W HN 0.223 nan 8.180 nan 0.000 0.710 60 E N 1.373 121.604 120.200 0.051 0.000 2.442 60 E HA -0.028 4.330 4.350 0.013 0.000 0.195 60 E C 1.834 178.491 176.600 0.095 0.000 1.030 60 E CA 0.097 56.547 56.400 0.084 0.000 0.869 60 E CB -0.307 29.325 29.700 -0.113 0.000 0.857 60 E HN 0.203 nan 8.360 nan 0.000 0.505 61 R N -0.250 120.290 120.500 0.066 0.000 2.276 61 R HA 0.017 4.365 4.340 0.013 0.000 0.203 61 R C 0.337 176.553 176.300 -0.139 0.000 1.017 61 R CA 0.581 56.642 56.100 -0.065 0.000 1.010 61 R CB 0.013 30.227 30.300 -0.143 0.000 0.900 61 R HN 0.276 nan 8.270 nan 0.000 0.469 62 Y N 0.339 120.791 120.300 0.252 0.000 2.645 62 Y HA 0.188 4.746 4.550 0.013 0.000 0.307 62 Y C 0.229 176.310 175.900 0.302 0.000 1.151 62 Y CA -0.015 58.258 58.100 0.289 0.000 1.291 62 Y CB 0.391 39.049 38.460 0.330 0.000 1.135 62 Y HN -0.095 nan 8.280 nan 0.000 0.523 63 Q N 1.232 121.197 119.800 0.274 0.000 2.965 63 Q HA 0.295 4.643 4.340 0.013 0.000 0.288 63 Q C -2.667 173.413 176.000 0.134 0.000 0.974 63 Q CA -2.375 53.563 55.803 0.225 0.000 0.849 63 Q CB 1.024 29.869 28.738 0.178 0.000 1.280 63 Q HN 0.049 nan 8.270 nan 0.000 0.441 64 P HA -0.113 nan 4.420 nan 0.000 0.265 64 P C -0.156 177.118 177.300 -0.042 0.000 1.187 64 P CA 0.327 63.404 63.100 -0.038 0.000 0.766 64 P CB 1.230 32.859 31.700 -0.117 0.000 0.820 65 V N 1.053 120.937 119.914 -0.050 0.000 3.431 65 V HA 0.114 4.242 4.120 0.013 0.000 0.255 65 V C 0.488 176.577 176.094 -0.008 0.000 1.403 65 V CA 1.058 63.422 62.300 0.106 0.000 1.101 65 V CB 0.635 32.517 31.823 0.099 0.000 0.891 65 V HN 0.630 nan 8.190 nan 0.000 0.446 66 S N -2.065 113.495 115.700 -0.234 0.000 2.757 66 S HA 0.526 5.004 4.470 0.013 0.000 0.285 66 S C -0.922 173.302 174.600 -0.627 0.000 1.196 66 S CA -0.340 57.628 58.200 -0.388 0.000 0.856 66 S CB 1.152 64.254 63.200 -0.163 0.000 1.212 66 S HN -0.015 nan 8.310 nan 0.000 0.516 67 Y N 0.297 120.440 120.300 -0.262 0.000 2.612 67 Y HA 0.453 5.011 4.550 0.013 0.000 0.250 67 Y C 0.278 176.018 175.900 -0.268 0.000 1.175 67 Y CA -0.783 57.029 58.100 -0.481 0.000 1.205 67 Y CB -0.029 38.090 38.460 -0.568 0.000 1.201 67 Y HN 0.333 nan 8.280 nan 0.000 0.532 68 K N 1.393 121.756 120.400 -0.061 0.000 2.402 68 K HA 0.167 4.495 4.320 0.013 0.000 0.285 68 K C 0.031 176.628 176.600 -0.006 0.000 1.054 68 K CA 0.094 56.373 56.287 -0.013 0.000 1.001 68 K CB 0.214 32.706 32.500 -0.012 0.000 0.946 68 K HN 0.227 nan 8.250 nan 0.000 0.473 69 L N 4.676 125.899 121.223 -0.000 0.000 2.544 69 L HA 0.030 4.378 4.340 0.013 0.000 0.240 69 L C -0.114 176.790 176.870 0.058 0.000 1.421 69 L CA -0.354 54.464 54.840 -0.036 0.000 1.206 69 L CB -0.508 41.437 42.059 -0.190 0.000 1.463 69 L HN 0.591 nan 8.230 nan 0.000 0.437 70 c N 0.270 118.913 118.600 0.071 0.000 2.789 70 c HA 0.622 5.200 4.570 0.013 0.000 0.324 70 c C 0.182 174.310 174.090 0.063 0.000 1.042 70 c CA -0.234 56.146 56.329 0.085 0.000 1.396 70 c CB 0.820 43.361 42.510 0.053 0.000 1.870 70 c HN 0.634 nan 8.230 nan 0.000 0.470 71 T N 2.390 116.991 114.554 0.078 0.000 2.693 71 T HA 0.436 4.794 4.350 0.013 0.000 0.278 71 T C 1.116 175.774 174.700 -0.069 0.000 0.994 71 T CA -0.381 61.730 62.100 0.017 0.000 1.033 71 T CB 1.498 70.407 68.868 0.069 0.000 1.342 71 T HN 0.693 nan 8.240 nan 0.000 0.538 72 R N 0.121 120.550 120.500 -0.118 0.000 2.148 72 R HA 0.107 4.455 4.340 0.013 0.000 0.223 72 R C 2.232 178.360 176.300 -0.287 0.000 1.088 72 R CA 1.295 57.300 56.100 -0.158 0.000 0.985 72 R CB -0.342 29.880 30.300 -0.130 0.000 0.880 72 R HN 0.429 nan 8.270 nan 0.000 0.451 73 S N -0.650 114.753 115.700 -0.496 0.000 2.515 73 S HA 0.148 4.626 4.470 0.013 0.000 0.231 73 S C 0.477 174.435 174.600 -1.071 0.000 0.987 73 S CA 0.695 58.339 58.200 -0.928 0.000 0.936 73 S CB 0.525 62.690 63.200 -1.725 0.000 0.766 73 S HN 0.665 nan 8.310 nan 0.000 0.528 74 G N 1.094 109.525 108.800 -0.614 0.000 2.362 74 G HA2 0.143 4.111 3.960 0.013 0.000 0.288 74 G HA3 0.143 4.111 3.960 0.013 0.000 0.288 74 G C -1.199 173.779 174.900 0.130 0.000 1.305 74 G CA -0.588 44.375 45.100 -0.230 0.000 0.910 74 G HN 0.409 nan 8.290 nan 0.000 0.518 75 N N -1.234 117.621 118.700 0.259 0.000 2.563 75 N HA 0.514 5.262 4.740 0.013 0.000 0.288 75 N C 1.019 176.728 175.510 0.331 0.000 1.246 75 N CA 0.227 53.423 53.050 0.243 0.000 0.946 75 N CB 1.865 40.441 38.487 0.147 0.000 1.213 75 N HN 0.710 nan 8.380 nan 0.000 0.578 76 E N -0.571 119.756 120.200 0.210 0.000 2.077 76 E HA -0.287 4.071 4.350 0.013 0.000 0.193 76 E C 0.921 177.655 176.600 0.222 0.000 0.989 76 E CA 1.915 58.429 56.400 0.190 0.000 0.800 76 E CB -0.251 29.515 29.700 0.111 0.000 0.746 76 E HN 0.809 nan 8.360 nan 0.000 0.452 77 N N -0.127 118.680 118.700 0.179 0.000 2.409 77 N HA -0.122 4.626 4.740 0.013 0.000 0.179 77 N C 1.322 176.933 175.510 0.169 0.000 1.032 77 N CA 0.941 54.082 53.050 0.152 0.000 0.898 77 N CB -0.076 38.476 38.487 0.109 0.000 0.971 77 N HN 0.211 nan 8.380 nan 0.000 0.441 78 E N -0.872 119.469 120.200 0.235 0.000 2.285 78 E HA -0.071 4.287 4.350 0.013 0.000 0.194 78 E C 0.885 177.667 176.600 0.303 0.000 0.997 78 E CA 0.431 56.991 56.400 0.267 0.000 0.845 78 E CB -0.114 29.781 29.700 0.324 0.000 0.782 78 E HN 0.431 nan 8.360 nan 0.000 0.491 79 F N 1.499 121.505 119.950 0.094 0.000 2.104 79 F HA -0.005 4.530 4.527 0.013 0.000 0.288 79 F C 2.452 178.143 175.800 -0.183 0.000 1.107 79 F CA 1.165 58.986 58.000 -0.297 0.000 1.208 79 F CB -0.050 38.668 39.000 -0.471 0.000 1.033 79 F HN -0.277 nan 8.300 nan 0.000 0.478 80 R N 0.308 120.891 120.500 0.139 0.000 2.133 80 R HA -0.262 4.086 4.340 0.013 0.000 0.247 80 R C 1.950 178.214 176.300 -0.060 0.000 1.151 80 R CA 2.309 58.434 56.100 0.041 0.000 0.971 80 R CB -0.795 29.589 30.300 0.140 0.000 0.866 80 R HN 0.449 nan 8.270 nan 0.000 0.447 81 D N -0.065 120.327 120.400 -0.013 0.000 2.078 81 D HA -0.228 4.420 4.640 0.013 0.000 0.193 81 D C 2.036 178.280 176.300 -0.093 0.000 0.990 81 D CA 1.773 55.764 54.000 -0.014 0.000 0.827 81 D CB -0.145 40.676 40.800 0.035 0.000 0.975 81 D HN 0.246 nan 8.370 nan 0.000 0.451 82 M N 0.003 119.523 119.600 -0.132 0.000 2.082 82 M HA -0.211 4.278 4.480 0.013 0.000 0.258 82 M C 1.872 177.976 176.300 -0.326 0.000 1.069 82 M CA 1.528 56.715 55.300 -0.189 0.000 1.102 82 M CB -0.226 32.272 32.600 -0.169 0.000 1.336 82 M HN 0.026 nan 8.290 nan 0.000 0.404 83 V N 0.838 120.449 119.914 -0.505 0.000 2.252 83 V HA -0.307 3.821 4.120 0.013 0.000 0.249 83 V C 2.374 178.155 176.094 -0.521 0.000 1.056 83 V CA 2.525 64.488 62.300 -0.562 0.000 1.022 83 V CB -1.424 30.037 31.823 -0.604 0.000 0.641 83 V HN 0.619 nan 8.190 nan 0.000 0.445 84 T N -0.384 113.955 114.554 -0.358 0.000 2.622 84 T HA -0.242 4.116 4.350 0.013 0.000 0.266 84 T C 2.055 176.631 174.700 -0.207 0.000 1.047 84 T CA 1.831 63.782 62.100 -0.247 0.000 1.159 84 T CB -0.312 68.607 68.868 0.084 0.000 0.863 84 T HN 0.379 nan 8.240 nan 0.000 0.422 85 R N 0.065 120.485 120.500 -0.134 0.000 2.096 85 R HA -0.107 4.241 4.340 0.013 0.000 0.240 85 R C 2.818 179.034 176.300 -0.140 0.000 1.139 85 R CA 1.696 57.741 56.100 -0.092 0.000 0.952 85 R CB -0.857 29.407 30.300 -0.061 0.000 0.854 85 R HN 0.404 nan 8.270 nan 0.000 0.436 86 c N 0.197 118.670 118.600 -0.212 0.000 2.446 86 c HA -0.006 4.572 4.570 0.013 0.000 0.277 86 c C 2.306 176.225 174.090 -0.285 0.000 1.275 86 c CA 0.330 56.531 56.329 -0.214 0.000 1.727 86 c CB -1.022 41.349 42.510 -0.233 0.000 2.010 86 c HN 0.515 nan 8.230 nan 0.000 0.486 87 N N 1.584 119.986 118.700 -0.496 0.000 2.272 87 N HA -0.098 4.650 4.740 0.013 0.000 0.185 87 N C 1.312 176.570 175.510 -0.419 0.000 1.014 87 N CA 1.052 53.664 53.050 -0.732 0.000 0.870 87 N CB -0.518 36.949 38.487 -1.701 0.000 0.975 87 N HN 0.521 nan 8.380 nan 0.000 0.433 88 N N -0.066 118.512 118.700 -0.203 0.000 2.396 88 N HA -0.059 4.689 4.740 0.013 0.000 0.180 88 N C 1.289 176.786 175.510 -0.021 0.000 1.028 88 N CA 0.546 53.600 53.050 0.006 0.000 0.893 88 N CB 0.187 38.711 38.487 0.061 0.000 0.967 88 N HN 0.232 nan 8.380 nan 0.000 0.440 89 V N -4.096 115.781 119.914 -0.062 0.000 3.444 89 V HA 0.551 4.679 4.120 0.013 0.000 0.308 89 V C 1.282 177.355 176.094 -0.036 0.000 1.371 89 V CA 0.250 62.529 62.300 -0.035 0.000 1.141 89 V CB -0.042 31.764 31.823 -0.029 0.000 1.037 89 V HN 0.205 nan 8.190 nan 0.000 0.433 90 G N 0.318 109.078 108.800 -0.066 0.000 2.199 90 G HA2 -0.229 3.739 3.960 0.013 0.000 0.254 90 G HA3 -0.229 3.739 3.960 0.013 0.000 0.254 90 G C 0.125 174.996 174.900 -0.048 0.000 0.982 90 G CA 0.040 45.108 45.100 -0.053 0.000 0.632 90 G HN 0.835 nan 8.290 nan 0.000 0.529 91 V N 1.580 121.455 119.914 -0.065 0.000 2.432 91 V HA 0.623 4.751 4.120 0.013 0.000 0.271 91 V C 0.981 177.007 176.094 -0.113 0.000 1.046 91 V CA -0.524 61.757 62.300 -0.032 0.000 0.945 91 V CB 1.203 33.012 31.823 -0.023 0.000 0.992 91 V HN 0.373 nan 8.190 nan 0.000 0.471 92 R N 3.437 123.905 120.500 -0.054 0.000 2.543 92 R HA 0.689 5.037 4.340 0.013 0.000 0.268 92 R C -0.663 175.480 176.300 -0.262 0.000 1.067 92 R CA -0.291 55.699 56.100 -0.184 0.000 1.142 92 R CB 0.862 31.096 30.300 -0.108 0.000 1.110 92 R HN 0.656 nan 8.270 nan 0.000 0.549 93 I N 1.495 121.764 120.570 -0.502 0.000 2.509 93 I HA 0.314 4.492 4.170 0.013 0.000 0.293 93 I C -1.245 174.486 176.117 -0.644 0.000 1.020 93 I CA -0.529 60.526 61.300 -0.410 0.000 1.088 93 I CB 1.529 39.315 38.000 -0.358 0.000 1.267 93 I HN 0.455 nan 8.210 nan 0.000 0.430 94 Y N 4.997 125.298 120.300 0.002 0.000 2.331 94 Y HA 0.529 5.087 4.550 0.014 0.000 0.334 94 Y C -0.138 175.798 175.900 0.061 0.000 0.960 94 Y CA -1.006 57.105 58.100 0.017 0.000 1.130 94 Y CB 1.532 40.095 38.460 0.172 0.000 1.164 94 Y HN 0.122 nan 8.280 nan 0.000 0.458 95 V N 2.681 122.702 119.914 0.177 0.000 2.732 95 V HA 0.091 4.219 4.120 0.013 0.000 0.297 95 V C -0.136 176.119 176.094 0.268 0.000 1.060 95 V CA -0.449 62.012 62.300 0.268 0.000 1.038 95 V CB 1.401 33.433 31.823 0.348 0.000 1.003 95 V HN 0.661 nan 8.190 nan 0.000 0.481 96 D N 3.425 123.967 120.400 0.236 0.000 2.380 96 D HA 0.419 5.067 4.640 0.013 0.000 0.230 96 D C -0.028 176.392 176.300 0.199 0.000 1.154 96 D CA -0.213 53.911 54.000 0.206 0.000 0.859 96 D CB 1.182 42.137 40.800 0.259 0.000 1.045 96 D HN 0.676 nan 8.370 nan 0.000 0.495 97 A N 4.322 127.216 122.820 0.124 0.000 2.478 97 A HA 0.375 4.703 4.320 0.013 0.000 0.327 97 A C -0.054 177.592 177.584 0.103 0.000 1.431 97 A CA -0.698 51.386 52.037 0.079 0.000 1.014 97 A CB 0.279 19.180 19.000 -0.165 0.000 1.143 97 A HN 0.396 nan 8.150 nan 0.000 0.532 98 V N 5.168 125.178 119.914 0.159 0.000 2.287 98 V HA 0.074 4.202 4.120 0.013 0.000 0.246 98 V C 0.962 177.054 176.094 -0.004 0.000 1.165 98 V CA 0.455 62.821 62.300 0.109 0.000 1.088 98 V CB -0.859 31.069 31.823 0.174 0.000 1.242 98 V HN 0.845 nan 8.190 nan 0.000 0.497 99 I N 0.195 120.741 120.570 -0.039 0.000 3.974 99 I HA 0.367 4.545 4.170 0.013 0.000 0.334 99 I C 1.269 177.330 176.117 -0.094 0.000 1.437 99 I CA 0.186 61.462 61.300 -0.041 0.000 1.113 99 I CB -0.041 37.936 38.000 -0.037 0.000 1.063 99 I HN 0.460 nan 8.210 nan 0.000 0.400 100 N N 1.208 119.786 118.700 -0.204 0.000 2.388 100 N HA 0.021 4.769 4.740 0.013 0.000 0.176 100 N C 0.298 175.756 175.510 -0.087 0.000 1.062 100 N CA 0.520 53.506 53.050 -0.106 0.000 0.895 100 N CB 0.244 38.750 38.487 0.031 0.000 1.018 100 N HN 0.740 nan 8.380 nan 0.000 0.456 101 H N -3.717 115.368 119.070 0.025 0.000 2.918 101 H HA 0.470 5.034 4.556 0.013 0.000 0.303 101 H C -0.696 174.619 175.328 -0.021 0.000 1.380 101 H CA -1.032 55.021 56.048 0.009 0.000 1.134 101 H CB 0.444 30.207 29.762 0.002 0.000 1.842 101 H HN -0.254 nan 8.280 nan 0.000 0.533 102 M N 0.282 119.976 119.600 0.157 0.000 2.391 102 M HA 0.396 4.884 4.480 0.013 0.000 0.228 102 M C 0.980 177.373 176.300 0.155 0.000 0.847 102 M CA -0.725 54.555 55.300 -0.033 0.000 1.605 102 M CB 0.368 32.663 32.600 -0.508 0.000 1.220 102 M HN 0.969 nan 8.290 nan 0.000 0.822 103 C N 0.009 119.395 119.300 0.144 0.000 2.820 103 C HA 0.669 5.137 4.460 0.013 0.000 0.287 103 C C 1.078 176.137 174.990 0.114 0.000 1.664 103 C CA -0.802 58.324 59.018 0.179 0.000 2.071 103 C CB -1.209 26.669 27.740 0.230 0.000 2.008 103 C HN 0.826 nan 8.230 nan 0.000 0.619 104 G N 0.158 109.000 108.800 0.069 0.000 2.491 104 G HA2 0.369 4.337 3.960 0.013 0.000 0.242 104 G HA3 0.369 4.337 3.960 0.013 0.000 0.242 104 G C 0.907 175.809 174.900 0.003 0.000 1.266 104 G CA 0.405 45.510 45.100 0.008 0.000 0.844 104 G HN 1.530 nan 8.290 nan 0.000 0.571 105 S N 0.828 116.508 115.700 -0.034 0.000 2.489 105 S HA 0.054 4.532 4.470 0.013 0.000 0.228 105 S C 1.932 176.497 174.600 -0.059 0.000 0.995 105 S CA 1.181 59.349 58.200 -0.054 0.000 0.934 105 S CB 0.090 63.249 63.200 -0.068 0.000 0.771 105 S HN 0.844 nan 8.310 nan 0.000 0.522 106 G N 0.222 108.992 108.800 -0.050 0.000 3.159 106 G HA2 0.583 4.551 3.960 0.013 0.000 0.232 106 G HA3 0.583 4.551 3.960 0.013 0.000 0.232 106 G C 0.334 175.205 174.900 -0.048 0.000 1.116 106 G CA 0.153 45.223 45.100 -0.050 0.000 0.767 106 G HN 0.723 nan 8.290 nan 0.000 0.547 107 A N 0.642 123.435 122.820 -0.045 0.000 2.445 107 A HA 0.679 5.007 4.320 0.013 0.000 0.242 107 A C 1.084 178.626 177.584 -0.070 0.000 1.075 107 A CA 0.301 52.312 52.037 -0.045 0.000 0.777 107 A CB 0.201 19.183 19.000 -0.029 0.000 1.013 107 A HN 1.026 nan 8.150 nan 0.000 0.493 108 A N 1.165 123.948 122.820 -0.062 0.000 2.475 108 A HA 0.480 4.808 4.320 0.013 0.000 0.239 108 A C 0.875 178.395 177.584 -0.107 0.000 1.087 108 A CA 0.355 52.352 52.037 -0.066 0.000 0.779 108 A CB -0.280 18.694 19.000 -0.044 0.000 1.036 108 A HN 2.248 nan 8.150 nan 0.000 0.506 109 A N -0.045 122.720 122.820 -0.091 0.000 2.320 109 A HA 0.585 4.913 4.320 0.013 0.000 0.287 109 A C 1.433 178.976 177.584 -0.069 0.000 1.181 109 A CA 0.702 52.655 52.037 -0.138 0.000 0.831 109 A CB -0.483 18.496 19.000 -0.035 0.000 1.102 109 A HN 2.762 nan 8.150 nan 0.000 0.513 110 G N 1.864 110.540 108.800 -0.207 0.000 4.677 110 G HA2 -0.263 3.705 3.960 0.013 0.000 0.215 110 G HA3 -0.263 3.705 3.960 0.013 0.000 0.215 110 G C 1.331 176.199 174.900 -0.054 0.000 1.506 110 G CA 0.862 45.956 45.100 -0.009 0.000 1.016 110 G HN 1.944 nan 8.290 nan 0.000 0.653 111 T N -0.376 114.157 114.554 -0.034 0.000 12.353 111 T HA -0.041 4.317 4.350 0.013 0.000 0.419 111 T C 2.095 176.782 174.700 -0.021 0.000 1.442 111 T CA 4.101 66.181 62.100 -0.034 0.000 2.386 111 T CB -1.329 67.506 68.868 -0.054 0.000 2.853 111 T HN 2.908 nan 8.240 nan 0.000 0.824 112 G N 0.443 109.230 108.800 -0.021 0.000 2.350 112 G HA2 0.468 4.436 3.960 0.013 0.000 0.274 112 G HA3 0.468 4.436 3.960 0.013 0.000 0.274 112 G C -0.635 174.256 174.900 -0.014 0.000 1.621 112 G CA 0.231 45.324 45.100 -0.012 0.000 0.935 112 G HN 1.158 nan 8.290 nan 0.000 0.694 113 T N -1.297 113.253 114.554 -0.007 0.000 2.864 113 T HA 0.708 5.066 4.350 0.013 0.000 0.289 113 T C 1.298 175.995 174.700 -0.005 0.000 1.082 113 T CA 0.179 62.277 62.100 -0.004 0.000 1.009 113 T CB 1.628 70.496 68.868 0.001 0.000 1.234 113 T HN 0.695 nan 8.240 nan 0.000 0.526 114 T N -0.704 113.846 114.554 -0.006 0.000 3.072 114 T HA 0.004 4.362 4.350 0.013 0.000 0.266 114 T C 1.257 175.957 174.700 -0.001 0.000 1.127 114 T CA 0.384 62.478 62.100 -0.010 0.000 1.107 114 T CB -0.414 68.446 68.868 -0.013 0.000 0.910 114 T HN 0.723 nan 8.240 nan 0.000 0.513 115 c N 0.572 119.175 118.600 0.005 0.000 3.642 115 c HA 0.589 5.167 4.570 0.013 0.000 0.305 115 c C 1.958 176.058 174.090 0.016 0.000 1.492 115 c CA -0.023 56.313 56.329 0.012 0.000 1.809 115 c CB -0.701 41.818 42.510 0.014 0.000 2.639 115 c HN 0.755 nan 8.230 nan 0.000 0.672 116 G N 1.587 110.396 108.800 0.017 0.000 2.159 116 G HA2 -0.216 3.752 3.960 0.013 0.000 0.256 116 G HA3 -0.216 3.752 3.960 0.013 0.000 0.256 116 G C 0.171 175.098 174.900 0.045 0.000 0.977 116 G CA 0.568 45.684 45.100 0.027 0.000 0.652 116 G HN 0.568 nan 8.290 nan 0.000 0.531 117 S N -0.459 115.264 115.700 0.039 0.000 2.579 117 S HA 0.440 4.918 4.470 0.013 0.000 0.275 117 S C -0.093 174.554 174.600 0.078 0.000 1.345 117 S CA -0.148 58.086 58.200 0.057 0.000 1.031 117 S CB 0.985 64.205 63.200 0.034 0.000 0.892 117 S HN 0.655 nan 8.310 nan 0.000 0.529 118 Y N 2.279 122.565 120.300 -0.023 0.000 2.323 118 Y HA 0.511 5.069 4.550 0.014 0.000 0.331 118 Y C -0.003 175.845 175.900 -0.086 0.000 1.092 118 Y CA -1.130 56.941 58.100 -0.048 0.000 1.150 118 Y CB 0.428 38.862 38.460 -0.043 0.000 1.200 118 Y HN 0.881 nan 8.280 nan 0.000 0.472 119 C N 4.219 122.927 119.300 -0.987 0.000 2.994 119 C HA 0.670 5.138 4.460 0.013 0.000 0.305 119 C C -1.089 173.183 174.990 -1.196 0.000 1.251 119 C CA -0.979 57.441 59.018 -0.997 0.000 1.478 119 C CB 1.501 28.788 27.740 -0.754 0.000 1.922 119 C HN 0.928 nan 8.230 nan 0.000 0.472 120 N N 1.953 120.087 118.700 -0.944 0.000 2.725 120 N HA 0.390 5.138 4.740 0.013 0.000 0.248 120 N C -1.592 173.630 175.510 -0.480 0.000 1.402 120 N CA -1.852 50.853 53.050 -0.575 0.000 0.766 120 N CB 1.023 39.323 38.487 -0.312 0.000 1.223 120 N HN 0.514 nan 8.380 nan 0.000 0.515 121 P HA -0.104 nan 4.420 nan 0.000 0.218 121 P C 1.353 178.531 177.300 -0.204 0.000 1.146 121 P CA 1.142 64.044 63.100 -0.329 0.000 0.820 121 P CB 0.114 31.712 31.700 -0.171 0.000 0.778 122 G N 0.278 108.976 108.800 -0.169 0.000 2.459 122 G HA2 -0.207 3.761 3.960 0.013 0.000 0.217 122 G HA3 -0.207 3.761 3.960 0.013 0.000 0.217 122 G C 1.400 176.245 174.900 -0.091 0.000 1.183 122 G CA 0.826 45.861 45.100 -0.108 0.000 0.776 122 G HN 0.302 nan 8.290 nan 0.000 0.552 123 S N -0.102 115.549 115.700 -0.083 0.000 2.634 123 S HA 0.275 4.753 4.470 0.013 0.000 0.221 123 S C 0.863 175.451 174.600 -0.020 0.000 0.952 123 S CA -0.242 57.940 58.200 -0.030 0.000 0.930 123 S CB 0.198 63.402 63.200 0.007 0.000 0.780 123 S HN 0.422 nan 8.310 nan 0.000 0.498 124 R N 1.412 121.844 120.500 -0.112 0.000 3.516 124 R HA -0.161 4.187 4.340 0.013 0.000 0.271 124 R C -0.743 175.646 176.300 0.148 0.000 1.098 124 R CA 0.575 56.590 56.100 -0.142 0.000 0.732 124 R CB -1.815 28.332 30.300 -0.254 0.000 1.152 124 R HN 0.495 nan 8.270 nan 0.000 0.455 125 E N 0.048 120.209 120.200 -0.064 0.000 2.115 125 E HA 0.223 4.581 4.350 0.013 0.000 0.282 125 E C -0.681 175.763 176.600 -0.260 0.000 0.987 125 E CA -0.303 56.099 56.400 0.003 0.000 0.797 125 E CB 0.486 30.173 29.700 -0.021 0.000 1.086 125 E HN 0.108 nan 8.360 nan 0.000 0.397 126 F N 5.388 125.450 119.950 0.188 0.000 2.584 126 F HA 0.227 4.763 4.527 0.014 0.000 0.328 126 F C -1.602 174.256 175.800 0.096 0.000 1.407 126 F CA -1.620 56.458 58.000 0.130 0.000 1.145 126 F CB 1.198 40.352 39.000 0.256 0.000 1.440 126 F HN 0.420 nan 8.300 nan 0.000 0.580 127 P HA -0.279 nan 4.420 nan 0.000 0.217 127 P C 1.535 178.888 177.300 0.089 0.000 1.148 127 P CA 1.727 64.914 63.100 0.145 0.000 0.834 127 P CB 0.278 32.076 31.700 0.164 0.000 0.783 128 A N -0.686 122.181 122.820 0.078 0.000 2.125 128 A HA -0.051 4.277 4.320 0.013 0.000 0.219 128 A C 2.323 179.884 177.584 -0.038 0.000 1.156 128 A CA 1.308 53.361 52.037 0.026 0.000 0.671 128 A CB -1.270 17.744 19.000 0.023 0.000 0.794 128 A HN 0.122 nan 8.150 nan 0.000 0.459 129 V N 0.328 120.189 119.914 -0.089 0.000 2.341 129 V HA 0.027 4.155 4.120 0.013 0.000 0.240 129 V C -1.158 174.813 176.094 -0.205 0.000 1.035 129 V CA 1.223 63.367 62.300 -0.259 0.000 1.033 129 V CB -1.024 30.390 31.823 -0.682 0.000 0.678 129 V HN 0.482 nan 8.190 nan 0.000 0.464 130 P HA 0.390 nan 4.420 nan 0.000 0.284 130 P C -1.850 175.414 177.300 -0.061 0.000 1.287 130 P CA -0.242 62.838 63.100 -0.034 0.000 0.824 130 P CB 1.356 33.108 31.700 0.087 0.000 1.180 131 Y N -1.487 118.975 120.300 0.271 0.000 2.504 131 Y HA 0.429 4.987 4.550 0.013 0.000 0.344 131 Y C 0.147 176.281 175.900 0.389 0.000 1.023 131 Y CA -0.576 57.701 58.100 0.295 0.000 1.020 131 Y CB 2.244 40.854 38.460 0.250 0.000 1.282 131 Y HN 0.256 nan 8.280 nan 0.000 0.454 132 S N 0.453 116.489 115.700 0.561 0.000 2.648 132 S HA 0.615 5.093 4.470 0.013 0.000 0.305 132 S C 0.797 175.779 174.600 0.637 0.000 1.094 132 S CA -0.233 58.266 58.200 0.499 0.000 0.983 132 S CB 1.788 65.207 63.200 0.364 0.000 1.101 132 S HN 0.818 nan 8.310 nan 0.000 0.514 133 A N 0.995 124.134 122.820 0.531 0.000 2.139 133 A HA -0.138 4.190 4.320 0.013 0.000 0.221 133 A C 1.542 179.423 177.584 0.497 0.000 1.159 133 A CA 1.210 53.546 52.037 0.498 0.000 0.662 133 A CB -0.625 18.528 19.000 0.255 0.000 0.796 133 A HN 0.917 nan 8.150 nan 0.000 0.463 134 W N 0.888 122.326 121.300 0.230 0.000 2.465 134 W HA -0.078 4.590 4.660 0.013 0.000 0.268 134 W C 0.051 176.612 176.519 0.070 0.000 1.242 134 W CA 1.630 59.050 57.345 0.125 0.000 1.248 134 W CB -0.007 29.497 29.460 0.072 0.000 1.118 134 W HN 0.447 nan 8.180 nan 0.000 0.587 135 D N -1.035 119.507 120.400 0.237 0.000 2.369 135 D HA 0.054 4.702 4.640 0.013 0.000 0.211 135 D C -0.331 175.661 176.300 -0.513 0.000 1.077 135 D CA 0.314 54.231 54.000 -0.139 0.000 0.842 135 D CB -0.198 40.442 40.800 -0.267 0.000 0.947 135 D HN -0.078 nan 8.370 nan 0.000 0.509 136 F N 0.535 120.510 119.950 0.042 0.000 2.483 136 F HA 0.310 4.845 4.527 0.013 0.000 0.329 136 F C 1.448 177.261 175.800 0.021 0.000 1.064 136 F CA -1.083 56.916 58.000 -0.000 0.000 0.986 136 F CB 0.635 39.639 39.000 0.006 0.000 1.218 136 F HN -0.383 nan 8.300 nan 0.000 0.484 137 N N 0.979 119.800 118.700 0.201 0.000 2.485 137 N HA -0.036 4.712 4.740 0.013 0.000 0.199 137 N C 0.612 176.188 175.510 0.110 0.000 1.236 137 N CA 0.393 53.523 53.050 0.133 0.000 0.852 137 N CB -0.521 38.042 38.487 0.128 0.000 1.018 137 N HN 0.642 nan 8.380 nan 0.000 0.457 138 D N -0.422 120.048 120.400 0.117 0.000 2.106 138 D HA -0.130 4.518 4.640 0.013 0.000 0.191 138 D C 1.955 178.276 176.300 0.035 0.000 0.997 138 D CA 1.524 55.563 54.000 0.064 0.000 0.834 138 D CB -0.253 40.578 40.800 0.052 0.000 0.956 138 D HN 0.313 nan 8.370 nan 0.000 0.448 139 G N 0.062 108.874 108.800 0.021 0.000 2.443 139 G HA2 -0.269 3.699 3.960 0.013 0.000 0.219 139 G HA3 -0.269 3.699 3.960 0.013 0.000 0.219 139 G C 1.513 176.419 174.900 0.009 0.000 1.131 139 G CA 0.554 45.652 45.100 -0.003 0.000 0.775 139 G HN 0.172 nan 8.290 nan 0.000 0.547 140 K N -0.503 119.917 120.400 0.033 0.000 2.103 140 K HA 0.005 4.333 4.320 0.013 0.000 0.204 140 K C 1.226 177.863 176.600 0.061 0.000 1.052 140 K CA 0.117 56.435 56.287 0.052 0.000 0.945 140 K CB -0.293 32.259 32.500 0.086 0.000 0.722 140 K HN 0.258 nan 8.250 nan 0.000 0.443 141 c N 2.812 121.449 118.600 0.061 0.000 2.611 141 c HA 0.041 4.619 4.570 0.013 0.000 0.416 141 c C 1.324 175.433 174.090 0.032 0.000 1.366 141 c CA -0.202 56.161 56.329 0.055 0.000 1.761 141 c CB -0.028 42.507 42.510 0.042 0.000 2.619 141 c HN 0.580 nan 8.230 nan 0.000 0.606 142 K N 3.379 123.798 120.400 0.031 0.000 2.379 142 K HA 0.087 4.415 4.320 0.013 0.000 0.194 142 K C 0.851 177.454 176.600 0.004 0.000 1.031 142 K CA 0.203 56.496 56.287 0.011 0.000 1.037 142 K CB -0.177 32.327 32.500 0.007 0.000 0.824 142 K HN 0.604 nan 8.250 nan 0.000 0.516 143 T N 0.311 114.869 114.554 0.006 0.000 2.884 143 T HA 0.326 4.684 4.350 0.013 0.000 0.298 143 T C 1.161 175.859 174.700 -0.004 0.000 0.998 143 T CA -0.095 62.004 62.100 -0.001 0.000 1.124 143 T CB 1.202 70.067 68.868 -0.006 0.000 0.931 143 T HN 0.299 nan 8.240 nan 0.000 0.531 144 A N 3.443 126.259 122.820 -0.006 0.000 2.019 144 A HA -0.023 4.305 4.320 0.013 0.000 0.219 144 A C 2.511 180.089 177.584 -0.010 0.000 1.164 144 A CA 1.971 54.004 52.037 -0.008 0.000 0.644 144 A CB -0.726 18.269 19.000 -0.008 0.000 0.805 144 A HN 0.936 nan 8.150 nan 0.000 0.449 145 S N -2.368 113.325 115.700 -0.011 0.000 2.470 145 S HA 0.353 4.831 4.470 0.013 0.000 0.225 145 S C 1.564 176.154 174.600 -0.017 0.000 1.006 145 S CA 1.287 59.478 58.200 -0.014 0.000 0.934 145 S CB -0.060 63.132 63.200 -0.014 0.000 0.778 145 S HN 1.848 nan 8.310 nan 0.000 0.517 146 G N -0.101 108.691 108.800 -0.014 0.000 2.232 146 G HA2 -0.027 3.941 3.960 0.013 0.000 0.226 146 G HA3 -0.027 3.941 3.960 0.013 0.000 0.226 146 G C 0.400 175.291 174.900 -0.016 0.000 0.996 146 G CA -0.067 45.026 45.100 -0.013 0.000 0.626 146 G HN 1.161 nan 8.290 nan 0.000 0.509 147 G N -0.622 108.163 108.800 -0.024 0.000 2.932 147 G HA2 0.692 4.660 3.960 0.013 0.000 0.283 147 G HA3 0.692 4.660 3.960 0.013 0.000 0.283 147 G C 0.020 174.892 174.900 -0.047 0.000 1.336 147 G CA -0.839 44.239 45.100 -0.036 0.000 1.056 147 G HN 0.723 nan 8.290 nan 0.000 0.522 148 I N 0.088 120.610 120.570 -0.080 0.000 2.598 148 I HA 0.165 4.343 4.170 0.013 0.000 0.284 148 I C 0.887 176.944 176.117 -0.101 0.000 1.140 148 I CA 0.247 61.457 61.300 -0.150 0.000 1.420 148 I CB 1.307 39.109 38.000 -0.330 0.000 1.387 148 I HN 0.621 nan 8.210 nan 0.000 0.553 149 E N 2.706 122.858 120.200 -0.080 0.000 2.306 149 E HA 0.087 4.445 4.350 0.013 0.000 0.201 149 E C 0.242 176.848 176.600 0.010 0.000 0.874 149 E CA 0.201 56.592 56.400 -0.016 0.000 0.972 149 E CB 0.697 30.392 29.700 -0.007 0.000 0.957 149 E HN 0.557 nan 8.360 nan 0.000 0.492 150 S N -0.644 115.040 115.700 -0.027 0.000 2.498 150 S HA 0.251 4.729 4.470 0.013 0.000 0.317 150 S C -0.641 173.935 174.600 -0.040 0.000 1.090 150 S CA -0.534 57.676 58.200 0.017 0.000 1.089 150 S CB 0.330 63.542 63.200 0.019 0.000 0.997 150 S HN 0.237 nan 8.310 nan 0.000 0.470 151 Y N 3.756 124.056 120.300 0.000 0.000 2.471 151 Y HA 0.221 4.779 4.550 0.013 0.000 0.286 151 Y C 1.573 177.461 175.900 -0.020 0.000 1.188 151 Y CA 0.382 58.473 58.100 -0.015 0.000 1.286 151 Y CB 0.055 38.502 38.460 -0.021 0.000 1.072 151 Y HN 0.677 nan 8.280 nan 0.000 0.517 152 N N -0.926 117.829 118.700 0.090 0.000 2.325 152 N HA -0.072 4.676 4.740 0.013 0.000 0.182 152 N C -0.173 175.361 175.510 0.039 0.000 1.088 152 N CA 0.115 53.201 53.050 0.060 0.000 0.879 152 N CB 0.420 38.941 38.487 0.057 0.000 0.983 152 N HN 0.054 nan 8.380 nan 0.000 0.471 153 D N 0.659 121.072 120.400 0.021 0.000 2.456 153 D HA 0.127 4.775 4.640 0.013 0.000 0.219 153 D C -1.857 174.449 176.300 0.010 0.000 1.126 153 D CA -2.200 51.828 54.000 0.048 0.000 0.890 153 D CB 1.274 42.105 40.800 0.052 0.000 1.025 153 D HN 0.004 nan 8.370 nan 0.000 0.511 154 P HA -0.195 nan 4.420 nan 0.000 0.216 154 P C 0.949 178.099 177.300 -0.250 0.000 1.157 154 P CA 1.267 64.258 63.100 -0.181 0.000 0.880 154 P CB 0.045 31.647 31.700 -0.163 0.000 0.791 155 Y N -0.593 119.743 120.300 0.059 0.000 2.181 155 Y HA -0.196 4.362 4.550 0.014 0.000 0.288 155 Y C 2.898 178.826 175.900 0.046 0.000 1.146 155 Y CA 1.564 59.779 58.100 0.192 0.000 1.164 155 Y CB -0.929 37.675 38.460 0.239 0.000 0.982 155 Y HN 0.008 nan 8.280 nan 0.000 0.515 156 Q N -0.279 119.599 119.800 0.130 0.000 2.084 156 Q HA -0.162 4.186 4.340 0.013 0.000 0.202 156 Q C 2.208 178.158 176.000 -0.083 0.000 0.978 156 Q CA 1.923 57.737 55.803 0.018 0.000 0.844 156 Q CB -0.155 28.565 28.738 -0.030 0.000 0.898 156 Q HN 0.325 nan 8.270 nan 0.000 0.426 157 V N 0.219 120.023 119.914 -0.183 0.000 2.594 157 V HA -0.236 3.892 4.120 0.013 0.000 0.253 157 V C 1.961 177.980 176.094 -0.124 0.000 1.069 157 V CA 1.875 64.029 62.300 -0.244 0.000 1.082 157 V CB -0.349 31.271 31.823 -0.338 0.000 0.680 157 V HN 0.243 nan 8.190 nan 0.000 0.469 158 R N -0.640 119.733 120.500 -0.211 0.000 2.146 158 R HA 0.053 4.401 4.340 0.013 0.000 0.206 158 R C 1.738 178.049 176.300 0.018 0.000 1.049 158 R CA 0.782 56.747 56.100 -0.225 0.000 1.029 158 R CB -0.003 29.808 30.300 -0.815 0.000 0.949 158 R HN 0.423 nan 8.270 nan 0.000 0.471 159 D N -0.842 119.621 120.400 0.105 0.000 2.355 159 D HA 0.062 4.710 4.640 0.013 0.000 0.206 159 D C 0.238 176.599 176.300 0.102 0.000 1.010 159 D CA 0.375 54.473 54.000 0.164 0.000 0.875 159 D CB 0.264 41.212 40.800 0.246 0.000 0.966 159 D HN 0.110 nan 8.370 nan 0.000 0.512 160 c N 1.567 120.202 118.600 0.057 0.000 2.345 160 c HA 0.370 4.948 4.570 0.013 0.000 0.369 160 c C 0.516 174.609 174.090 0.005 0.000 1.273 160 c CA -0.915 55.429 56.329 0.025 0.000 2.310 160 c CB 1.090 43.597 42.510 -0.005 0.000 2.219 160 c HN 0.256 nan 8.230 nan 0.000 0.587 161 Q N 1.006 120.797 119.800 -0.016 0.000 2.259 161 Q HA 0.561 4.909 4.340 0.013 0.000 0.249 161 Q C -0.930 175.012 176.000 -0.096 0.000 0.914 161 Q CA -0.575 55.201 55.803 -0.044 0.000 0.904 161 Q CB 0.842 29.554 28.738 -0.043 0.000 1.213 161 Q HN 0.612 nan 8.270 nan 0.000 0.428 162 L N 3.632 124.754 121.223 -0.168 0.000 2.281 162 L HA 0.127 4.475 4.340 0.013 0.000 0.285 162 L C 0.205 176.949 176.870 -0.208 0.000 1.074 162 L CA -0.145 54.553 54.840 -0.237 0.000 0.817 162 L CB 1.068 42.840 42.059 -0.479 0.000 1.168 162 L HN 0.685 nan 8.230 nan 0.000 0.434 163 V N 2.903 122.732 119.914 -0.141 0.000 4.482 163 V HA -0.222 3.906 4.120 0.013 0.000 0.232 163 V C 1.302 177.309 176.094 -0.146 0.000 0.583 163 V CA 1.115 63.331 62.300 -0.140 0.000 0.816 163 V CB -2.855 28.857 31.823 -0.185 0.000 0.795 163 V HN 2.053 nan 8.190 nan 0.000 1.066 164 G N -1.163 107.565 108.800 -0.121 0.000 2.199 164 G HA2 -0.256 3.713 3.960 0.013 0.000 0.254 164 G HA3 -0.256 3.713 3.960 0.013 0.000 0.254 164 G C 0.054 174.891 174.900 -0.106 0.000 0.982 164 G CA 0.099 45.138 45.100 -0.101 0.000 0.632 164 G HN 1.205 nan 8.290 nan 0.000 0.529 165 L N 1.272 122.398 121.223 -0.162 0.000 2.455 165 L HA 0.346 4.694 4.340 0.013 0.000 0.272 165 L C 1.347 178.192 176.870 -0.042 0.000 1.174 165 L CA -0.639 54.108 54.840 -0.154 0.000 0.869 165 L CB 0.633 42.423 42.059 -0.448 0.000 1.130 165 L HN 0.073 nan 8.230 nan 0.000 0.474 166 L N 3.291 124.520 121.223 0.011 0.000 2.700 166 L HA -0.078 4.270 4.340 0.013 0.000 0.272 166 L C 0.342 177.335 176.870 0.205 0.000 1.176 166 L CA 0.278 55.140 54.840 0.037 0.000 0.961 166 L CB -0.218 41.767 42.059 -0.123 0.000 1.249 166 L HN 0.585 nan 8.230 nan 0.000 0.487 167 D N 4.210 124.723 120.400 0.188 0.000 2.344 167 D HA 0.230 4.878 4.640 0.013 0.000 0.253 167 D C 0.008 176.428 176.300 0.200 0.000 1.255 167 D CA -0.269 53.840 54.000 0.183 0.000 0.894 167 D CB 0.557 41.429 40.800 0.120 0.000 1.067 167 D HN 0.285 nan 8.370 nan 0.000 0.492 168 L N 2.577 123.849 121.223 0.083 0.000 2.483 168 L HA 0.159 4.507 4.340 0.013 0.000 0.276 168 L C 0.786 177.613 176.870 -0.071 0.000 1.213 168 L CA -0.567 54.179 54.840 -0.156 0.000 0.843 168 L CB 0.648 42.535 42.059 -0.285 0.000 1.107 168 L HN 0.485 nan 8.230 nan 0.000 0.487 169 A N 4.890 127.639 122.820 -0.119 0.000 3.037 169 A HA 0.248 4.576 4.320 0.013 0.000 0.272 169 A C 0.999 178.587 177.584 0.008 0.000 1.723 169 A CA -0.313 51.720 52.037 -0.006 0.000 1.413 169 A CB -0.564 18.445 19.000 0.014 0.000 1.112 169 A HN 0.825 nan 8.150 nan 0.000 0.606 170 L N 0.566 121.808 121.223 0.031 0.000 2.721 170 L HA -0.124 4.224 4.340 0.013 0.000 0.241 170 L C 2.403 179.309 176.870 0.060 0.000 1.168 170 L CA 1.182 56.047 54.840 0.041 0.000 0.866 170 L CB -0.060 42.038 42.059 0.064 0.000 0.996 170 L HN 0.903 nan 8.230 nan 0.000 0.451 171 E N 0.370 120.609 120.200 0.066 0.000 2.452 171 E HA -0.018 4.340 4.350 0.013 0.000 0.197 171 E C 0.195 176.830 176.600 0.059 0.000 1.022 171 E CA -0.183 56.251 56.400 0.056 0.000 0.890 171 E CB 0.420 30.148 29.700 0.046 0.000 0.918 171 E HN 0.363 nan 8.360 nan 0.000 0.496 172 K N 1.227 121.673 120.400 0.078 0.000 2.185 172 K HA 0.092 4.420 4.320 0.013 0.000 0.271 172 K C 0.002 176.663 176.600 0.103 0.000 1.013 172 K CA 0.021 56.373 56.287 0.109 0.000 0.943 172 K CB 1.207 33.807 32.500 0.167 0.000 0.998 172 K HN -0.119 nan 8.250 nan 0.000 0.468 173 D N 0.739 121.203 120.400 0.107 0.000 2.264 173 D HA -0.166 4.482 4.640 0.013 0.000 0.208 173 D C 1.267 177.637 176.300 0.117 0.000 0.966 173 D CA 0.910 54.963 54.000 0.088 0.000 0.864 173 D CB 0.125 40.971 40.800 0.076 0.000 0.933 173 D HN 0.592 nan 8.370 nan 0.000 0.499 174 Y N 0.223 120.543 120.300 0.033 0.000 2.163 174 Y HA -0.154 4.404 4.550 0.013 0.000 0.288 174 Y C 1.983 177.924 175.900 0.069 0.000 1.136 174 Y CA 1.207 59.330 58.100 0.038 0.000 1.147 174 Y CB -0.489 37.993 38.460 0.036 0.000 0.987 174 Y HN -0.100 nan 8.280 nan 0.000 0.509 175 V N 0.587 120.524 119.914 0.039 0.000 2.307 175 V HA -0.294 3.834 4.120 0.013 0.000 0.245 175 V C 2.423 178.485 176.094 -0.055 0.000 1.045 175 V CA 2.190 64.476 62.300 -0.024 0.000 1.024 175 V CB -0.697 31.109 31.823 -0.028 0.000 0.651 175 V HN 0.281 nan 8.190 nan 0.000 0.449 176 R N 0.087 120.570 120.500 -0.028 0.000 2.096 176 R HA -0.188 4.160 4.340 0.013 0.000 0.240 176 R C 2.650 178.903 176.300 -0.079 0.000 1.139 176 R CA 2.022 58.098 56.100 -0.039 0.000 0.952 176 R CB -0.574 29.721 30.300 -0.009 0.000 0.854 176 R HN 0.441 nan 8.270 nan 0.000 0.436 177 S N 0.237 115.885 115.700 -0.087 0.000 2.368 177 S HA -0.156 4.322 4.470 0.013 0.000 0.225 177 S C 1.768 176.265 174.600 -0.171 0.000 1.030 177 S CA 1.219 59.354 58.200 -0.109 0.000 0.999 177 S CB -0.149 63.005 63.200 -0.077 0.000 0.844 177 S HN 0.154 nan 8.310 nan 0.000 0.459 178 M N 1.588 121.040 119.600 -0.245 0.000 2.106 178 M HA -0.055 4.433 4.480 0.013 0.000 0.259 178 M C 1.623 177.759 176.300 -0.274 0.000 1.068 178 M CA 1.499 56.640 55.300 -0.264 0.000 1.100 178 M CB -0.626 31.806 32.600 -0.279 0.000 1.351 178 M HN 0.304 nan 8.290 nan 0.000 0.404 179 I N -1.054 119.368 120.570 -0.246 0.000 2.133 179 I HA -0.244 3.934 4.170 0.013 0.000 0.238 179 I C 2.415 178.374 176.117 -0.263 0.000 1.074 179 I CA 1.120 62.232 61.300 -0.314 0.000 1.342 179 I CB -1.085 36.799 38.000 -0.193 0.000 1.053 179 I HN 0.303 nan 8.210 nan 0.000 0.404 180 A N 1.191 123.887 122.820 -0.208 0.000 1.903 180 A HA -0.305 4.023 4.320 0.013 0.000 0.219 180 A C 1.878 179.332 177.584 -0.217 0.000 1.191 180 A CA 2.578 54.493 52.037 -0.202 0.000 0.638 180 A CB -0.880 18.039 19.000 -0.134 0.000 0.823 180 A HN 0.425 nan 8.150 nan 0.000 0.451 181 D N -1.651 118.641 120.400 -0.180 0.000 2.116 181 D HA -0.202 4.447 4.640 0.013 0.000 0.193 181 D C 1.701 177.914 176.300 -0.145 0.000 0.998 181 D CA 1.816 55.725 54.000 -0.152 0.000 0.836 181 D CB -0.635 40.097 40.800 -0.113 0.000 0.951 181 D HN 0.640 nan 8.370 nan 0.000 0.449 182 Y N 1.437 121.541 120.300 -0.327 0.000 2.097 182 Y HA -0.180 4.378 4.550 0.014 0.000 0.282 182 Y C 2.077 177.812 175.900 -0.274 0.000 1.152 182 Y CA 1.325 59.220 58.100 -0.343 0.000 1.136 182 Y CB -0.746 37.327 38.460 -0.645 0.000 0.975 182 Y HN -0.047 nan 8.280 nan 0.000 0.498 183 L N 0.930 121.765 121.223 -0.648 0.000 1.976 183 L HA -0.284 4.064 4.340 0.013 0.000 0.209 183 L C 1.976 178.700 176.870 -0.243 0.000 1.071 183 L CA 2.080 56.492 54.840 -0.713 0.000 0.746 183 L CB -0.888 40.699 42.059 -0.788 0.000 0.890 183 L HN 0.469 nan 8.230 nan 0.000 0.432 184 N N -0.389 118.167 118.700 -0.239 0.000 2.485 184 N HA -0.125 4.623 4.740 0.013 0.000 0.199 184 N C 1.496 176.866 175.510 -0.233 0.000 1.236 184 N CA 0.059 52.968 53.050 -0.237 0.000 0.852 184 N CB 0.151 38.341 38.487 -0.495 0.000 1.018 184 N HN 0.325 nan 8.380 nan 0.000 0.457 185 K N 1.920 122.224 120.400 -0.159 0.000 2.078 185 K HA 0.076 4.404 4.320 0.013 0.000 0.203 185 K C 1.901 178.502 176.600 0.000 0.000 1.043 185 K CA 0.369 56.615 56.287 -0.068 0.000 0.960 185 K CB -0.197 32.278 32.500 -0.042 0.000 0.761 185 K HN 0.219 nan 8.250 nan 0.000 0.448 186 L N 1.107 122.320 121.223 -0.017 0.000 2.131 186 L HA -0.133 4.215 4.340 0.013 0.000 0.210 186 L C 2.552 179.465 176.870 0.072 0.000 1.092 186 L CA 0.870 55.756 54.840 0.078 0.000 0.759 186 L CB -0.439 41.670 42.059 0.083 0.000 0.903 186 L HN 0.103 nan 8.230 nan 0.000 0.435 187 I N 0.139 120.739 120.570 0.051 0.000 2.179 187 I HA -0.295 3.883 4.170 0.013 0.000 0.242 187 I C 2.169 178.344 176.117 0.097 0.000 1.088 187 I CA 1.347 62.659 61.300 0.021 0.000 1.357 187 I CB -0.385 37.626 38.000 0.018 0.000 1.051 187 I HN 0.299 nan 8.210 nan 0.000 0.409 188 D N 0.865 121.332 120.400 0.112 0.000 2.144 188 D HA -0.132 4.517 4.640 0.013 0.000 0.199 188 D C 2.224 178.636 176.300 0.187 0.000 0.984 188 D CA 1.225 55.322 54.000 0.163 0.000 0.834 188 D CB -0.138 40.750 40.800 0.146 0.000 0.955 188 D HN 0.353 nan 8.370 nan 0.000 0.465 189 I N -0.216 120.448 120.570 0.156 0.000 2.454 189 I HA -0.123 4.055 4.170 0.013 0.000 0.254 189 I C 1.620 177.834 176.117 0.162 0.000 1.156 189 I CA 1.339 62.737 61.300 0.164 0.000 1.433 189 I CB -0.086 38.010 38.000 0.160 0.000 1.082 189 I HN 0.156 nan 8.210 nan 0.000 0.432 190 G N 0.259 109.144 108.800 0.143 0.000 2.234 190 G HA2 -0.152 3.816 3.960 0.013 0.000 0.153 190 G HA3 -0.152 3.816 3.960 0.013 0.000 0.153 190 G C 0.157 175.019 174.900 -0.063 0.000 1.013 190 G CA -0.379 44.762 45.100 0.070 0.000 0.712 190 G HN 0.052 nan 8.290 nan 0.000 0.491 191 V N 1.133 120.988 119.914 -0.098 0.000 2.740 191 V HA 0.460 4.588 4.120 0.013 0.000 0.303 191 V C 1.663 177.575 176.094 -0.303 0.000 1.054 191 V CA 1.153 63.307 62.300 -0.244 0.000 1.106 191 V CB 1.455 33.135 31.823 -0.238 0.000 0.957 191 V HN 0.790 nan 8.190 nan 0.000 0.486 192 A N 3.246 125.795 122.820 -0.452 0.000 2.063 192 A HA 0.639 4.968 4.320 0.013 0.000 0.211 192 A C 0.959 178.237 177.584 -0.511 0.000 1.177 192 A CA 0.898 52.620 52.037 -0.524 0.000 0.759 192 A CB 0.079 18.865 19.000 -0.358 0.000 0.857 192 A HN 1.180 nan 8.150 nan 0.000 0.468 193 G N -2.135 106.333 108.800 -0.552 0.000 2.548 193 G HA2 0.519 4.487 3.960 0.013 0.000 0.301 193 G HA3 0.519 4.487 3.960 0.013 0.000 0.301 193 G C -1.595 172.937 174.900 -0.613 0.000 1.349 193 G CA -0.645 44.211 45.100 -0.407 0.000 0.792 193 G HN 0.114 nan 8.290 nan 0.000 0.481 194 F N -0.564 119.338 119.950 -0.080 0.000 2.599 194 F HA 0.716 5.251 4.527 0.013 0.000 0.311 194 F C 0.277 175.718 175.800 -0.598 0.000 1.076 194 F CA -0.923 56.943 58.000 -0.223 0.000 0.937 194 F CB 2.522 41.387 39.000 -0.225 0.000 1.282 194 F HN 0.424 nan 8.300 nan 0.000 0.460 195 R N 2.292 122.561 120.500 -0.384 0.000 2.265 195 R HA 0.586 4.934 4.340 0.013 0.000 0.328 195 R C -1.597 174.521 176.300 -0.304 0.000 0.969 195 R CA -0.669 54.935 56.100 -0.826 0.000 0.832 195 R CB 0.778 30.783 30.300 -0.491 0.000 1.139 195 R HN 0.775 nan 8.270 nan 0.000 0.457 196 L N 4.678 125.733 121.223 -0.280 0.000 2.342 196 L HA 0.133 4.481 4.340 0.013 0.000 0.285 196 L C -0.084 176.783 176.870 -0.005 0.000 1.095 196 L CA 0.075 54.855 54.840 -0.100 0.000 0.843 196 L CB 0.914 42.922 42.059 -0.084 0.000 1.201 196 L HN 0.631 nan 8.230 nan 0.000 0.445 197 D N 3.947 124.387 120.400 0.068 0.000 2.389 197 D HA 0.343 4.991 4.640 0.013 0.000 0.247 197 D C 0.726 177.100 176.300 0.123 0.000 1.128 197 D CA 0.479 54.564 54.000 0.141 0.000 0.884 197 D CB 0.881 41.837 40.800 0.259 0.000 1.194 197 D HN 0.775 nan 8.370 nan 0.000 0.441 198 A N 2.989 125.896 122.820 0.144 0.000 2.511 198 A HA -0.229 4.099 4.320 0.013 0.000 0.297 198 A C 1.657 179.338 177.584 0.162 0.000 1.476 198 A CA 1.142 53.312 52.037 0.221 0.000 0.757 198 A CB -1.998 17.185 19.000 0.305 0.000 1.072 198 A HN 0.481 nan 8.150 nan 0.000 0.413 199 S N -0.070 115.623 115.700 -0.011 0.000 2.423 199 S HA -0.155 4.323 4.470 0.013 0.000 0.231 199 S C 1.723 176.168 174.600 -0.259 0.000 1.014 199 S CA 1.503 59.622 58.200 -0.135 0.000 0.965 199 S CB -0.182 62.838 63.200 -0.299 0.000 0.785 199 S HN 1.088 nan 8.310 nan 0.000 0.495 200 K N 0.939 121.129 120.400 -0.350 0.000 2.555 200 K HA -0.021 4.307 4.320 0.013 0.000 0.193 200 K C 1.007 177.344 176.600 -0.438 0.000 1.032 200 K CA 1.136 57.193 56.287 -0.383 0.000 1.004 200 K CB -0.231 32.026 32.500 -0.404 0.000 0.804 200 K HN 0.408 nan 8.250 nan 0.000 0.496 201 H N -0.428 118.607 119.070 -0.060 0.000 2.622 201 H HA 0.282 4.846 4.556 0.014 0.000 0.269 201 H C 0.016 175.293 175.328 -0.085 0.000 0.977 201 H CA 0.042 56.044 56.048 -0.077 0.000 1.179 201 H CB 0.269 30.027 29.762 -0.007 0.000 1.458 201 H HN 0.205 nan 8.280 nan 0.000 0.531 202 M N -0.143 119.488 119.600 0.051 0.000 2.578 202 M HA 0.208 4.696 4.480 0.013 0.000 0.321 202 M C -0.931 175.394 176.300 0.043 0.000 1.182 202 M CA -0.677 54.671 55.300 0.080 0.000 0.965 202 M CB 2.241 34.927 32.600 0.143 0.000 1.694 202 M HN -0.006 nan 8.290 nan 0.000 0.461 203 W N 2.565 123.893 121.300 0.047 0.000 2.287 203 W HA 0.266 4.934 4.660 0.013 0.000 0.313 203 W C -1.698 174.781 176.519 -0.068 0.000 1.267 203 W CA -1.124 56.194 57.345 -0.046 0.000 1.201 203 W CB 0.074 29.489 29.460 -0.075 0.000 1.196 203 W HN 0.500 nan 8.180 nan 0.000 0.536 204 P HA -0.266 nan 4.420 nan 0.000 0.217 204 P C 1.714 179.029 177.300 0.026 0.000 1.158 204 P CA 2.797 65.803 63.100 -0.156 0.000 0.887 204 P CB -0.009 31.448 31.700 -0.404 0.000 0.792 205 G N -0.629 108.206 108.800 0.058 0.000 2.422 205 G HA2 -0.249 3.719 3.960 0.013 0.000 0.218 205 G HA3 -0.249 3.719 3.960 0.013 0.000 0.218 205 G C 1.250 176.185 174.900 0.060 0.000 1.146 205 G CA 0.953 46.079 45.100 0.043 0.000 0.769 205 G HN 0.201 nan 8.290 nan 0.000 0.547 206 D N 0.522 120.984 120.400 0.103 0.000 2.117 206 D HA -0.102 4.546 4.640 0.013 0.000 0.198 206 D C 2.510 178.855 176.300 0.074 0.000 0.982 206 D CA 1.085 55.141 54.000 0.093 0.000 0.828 206 D CB -0.255 40.630 40.800 0.141 0.000 0.967 206 D HN 0.495 nan 8.370 nan 0.000 0.464 207 I N 0.081 120.707 120.570 0.094 0.000 2.493 207 I HA -0.162 4.016 4.170 0.013 0.000 0.254 207 I C 1.918 178.068 176.117 0.055 0.000 1.160 207 I CA 1.405 62.748 61.300 0.072 0.000 1.445 207 I CB -0.059 38.010 38.000 0.114 0.000 1.086 207 I HN -0.229 nan 8.210 nan 0.000 0.433 208 K N 2.129 122.568 120.400 0.065 0.000 2.057 208 K HA 0.040 4.368 4.320 0.013 0.000 0.206 208 K C 2.055 178.679 176.600 0.038 0.000 1.050 208 K CA 1.914 58.235 56.287 0.057 0.000 0.935 208 K CB -0.865 31.669 32.500 0.056 0.000 0.715 208 K HN 0.437 nan 8.250 nan 0.000 0.439 209 A N 0.325 123.165 122.820 0.033 0.000 1.933 209 A HA -0.092 4.237 4.320 0.013 0.000 0.218 209 A C 2.364 179.953 177.584 0.009 0.000 1.175 209 A CA 1.843 53.893 52.037 0.022 0.000 0.628 209 A CB -0.752 18.261 19.000 0.022 0.000 0.814 209 A HN 0.148 nan 8.150 nan 0.000 0.444 210 V N 0.115 120.029 119.914 0.000 0.000 2.379 210 V HA -0.194 3.934 4.120 0.013 0.000 0.245 210 V C 2.514 178.588 176.094 -0.034 0.000 1.044 210 V CA 1.651 63.933 62.300 -0.030 0.000 1.036 210 V CB -0.570 31.221 31.823 -0.052 0.000 0.664 210 V HN 0.570 nan 8.190 nan 0.000 0.453 211 L N -0.215 120.998 121.223 -0.016 0.000 2.127 211 L HA -0.201 4.147 4.340 0.013 0.000 0.211 211 L C 2.274 179.146 176.870 0.003 0.000 1.089 211 L CA 1.531 56.364 54.840 -0.012 0.000 0.757 211 L CB -0.817 41.247 42.059 0.007 0.000 0.899 211 L HN 0.377 nan 8.230 nan 0.000 0.434 212 D N 0.711 121.121 120.400 0.016 0.000 2.218 212 D HA -0.140 4.508 4.640 0.013 0.000 0.204 212 D C 1.393 177.708 176.300 0.024 0.000 0.976 212 D CA 1.141 55.156 54.000 0.026 0.000 0.853 212 D CB 0.011 40.828 40.800 0.029 0.000 0.939 212 D HN 0.436 nan 8.370 nan 0.000 0.481 213 K N 0.210 120.617 120.400 0.012 0.000 2.577 213 K HA 0.250 4.578 4.320 0.013 0.000 0.210 213 K C 0.180 176.791 176.600 0.019 0.000 1.048 213 K CA -0.086 56.212 56.287 0.018 0.000 1.188 213 K CB 0.532 33.032 32.500 -0.001 0.000 0.910 213 K HN 0.035 nan 8.250 nan 0.000 0.483 214 L N 1.792 123.029 121.223 0.024 0.000 2.295 214 L HA 0.295 4.643 4.340 0.013 0.000 0.285 214 L C 0.543 177.482 176.870 0.114 0.000 1.035 214 L CA -0.875 53.978 54.840 0.023 0.000 0.806 214 L CB 0.896 42.960 42.059 0.009 0.000 1.214 214 L HN 0.299 nan 8.230 nan 0.000 0.426 215 H N 1.615 120.681 119.070 -0.008 0.000 2.964 215 H HA -0.032 4.532 4.556 0.013 0.000 0.368 215 H C -0.164 175.150 175.328 -0.024 0.000 1.212 215 H CA -0.390 55.654 56.048 -0.008 0.000 1.421 215 H CB 0.688 30.451 29.762 0.002 0.000 1.385 215 H HN 0.510 nan 8.280 nan 0.000 0.614 216 N N 0.239 118.998 118.700 0.098 0.000 2.445 216 N HA 0.120 4.868 4.740 0.013 0.000 0.264 216 N C -0.367 175.158 175.510 0.025 0.000 1.227 216 N CA -0.423 52.642 53.050 0.025 0.000 0.963 216 N CB 0.548 39.043 38.487 0.013 0.000 1.188 216 N HN 0.283 nan 8.380 nan 0.000 0.491 217 L N 1.087 122.279 121.223 -0.052 0.000 2.483 217 L HA 0.080 4.428 4.340 0.013 0.000 0.275 217 L C 0.856 177.834 176.870 0.181 0.000 1.220 217 L CA -0.393 54.412 54.840 -0.059 0.000 0.833 217 L CB 0.039 41.797 42.059 -0.502 0.000 1.102 217 L HN 0.569 nan 8.230 nan 0.000 0.490 218 N N 0.884 119.779 118.700 0.325 0.000 2.374 218 N HA -0.097 4.651 4.740 0.013 0.000 0.269 218 N C 0.830 176.513 175.510 0.288 0.000 1.310 218 N CA 0.537 53.772 53.050 0.307 0.000 0.877 218 N CB 0.772 39.502 38.487 0.405 0.000 1.096 218 N HN 0.532 nan 8.380 nan 0.000 0.484 219 T N 2.620 117.250 114.554 0.127 0.000 3.139 219 T HA -0.079 4.279 4.350 0.013 0.000 0.267 219 T C 1.537 176.215 174.700 -0.037 0.000 1.164 219 T CA 0.602 62.745 62.100 0.071 0.000 1.075 219 T CB -0.320 68.561 68.868 0.022 0.000 0.904 219 T HN 0.544 nan 8.240 nan 0.000 0.540 220 N N -0.372 118.235 118.700 -0.156 0.000 2.270 220 N HA -0.062 4.686 4.740 0.013 0.000 0.181 220 N C 1.195 176.404 175.510 -0.501 0.000 1.016 220 N CA 0.960 53.730 53.050 -0.467 0.000 0.870 220 N CB 0.102 38.039 38.487 -0.917 0.000 0.979 220 N HN 0.544 nan 8.380 nan 0.000 0.431 221 W N -0.726 120.483 121.300 -0.152 0.000 2.904 221 W HA 0.266 4.934 4.660 0.013 0.000 0.265 221 W C -0.117 176.136 176.519 -0.445 0.000 1.138 221 W CA -0.312 56.821 57.345 -0.355 0.000 1.455 221 W CB -0.150 28.964 29.460 -0.577 0.000 0.924 221 W HN -0.165 nan 8.180 nan 0.000 0.619 222 F N 2.148 122.211 119.950 0.188 0.000 2.440 222 F HA 0.439 4.974 4.527 0.013 0.000 0.328 222 F C -1.597 174.236 175.800 0.055 0.000 1.070 222 F CA -2.716 55.344 58.000 0.100 0.000 1.011 222 F CB -0.194 38.852 39.000 0.077 0.000 1.226 222 F HN -0.436 nan 8.300 nan 0.000 0.491 223 P HA 0.192 nan 4.420 nan 0.000 0.272 223 P C -0.863 176.509 177.300 0.120 0.000 1.223 223 P CA -0.334 62.846 63.100 0.134 0.000 0.784 223 P CB 0.690 32.455 31.700 0.109 0.000 0.923 224 A N 1.731 124.595 122.820 0.074 0.000 2.547 224 A HA 0.384 4.712 4.320 0.013 0.000 0.233 224 A C 1.450 179.064 177.584 0.051 0.000 1.067 224 A CA 0.750 52.820 52.037 0.054 0.000 0.763 224 A CB -1.462 17.556 19.000 0.031 0.000 1.007 224 A HN 0.948 nan 8.150 nan 0.000 0.506 225 G N 0.875 109.699 108.800 0.039 0.000 2.160 225 G HA2 -0.170 3.798 3.960 0.013 0.000 0.251 225 G HA3 -0.170 3.798 3.960 0.013 0.000 0.251 225 G C 0.334 175.255 174.900 0.036 0.000 1.008 225 G CA 0.397 45.517 45.100 0.034 0.000 0.724 225 G HN 1.123 nan 8.290 nan 0.000 0.514 226 S N -0.431 115.285 115.700 0.027 0.000 2.537 226 S HA 0.639 5.117 4.470 0.013 0.000 0.275 226 S C 0.553 175.123 174.600 -0.049 0.000 1.272 226 S CA -0.412 57.782 58.200 -0.010 0.000 1.050 226 S CB 1.202 64.371 63.200 -0.051 0.000 0.961 226 S HN 0.476 nan 8.310 nan 0.000 0.496 227 R N 3.594 124.076 120.500 -0.030 0.000 2.312 227 R HA 0.434 4.782 4.340 0.013 0.000 0.311 227 R C -2.438 173.754 176.300 -0.180 0.000 1.004 227 R CA -1.948 54.112 56.100 -0.067 0.000 0.902 227 R CB 0.615 30.945 30.300 0.051 0.000 1.073 227 R HN 0.349 nan 8.270 nan 0.000 0.457 228 P HA -0.089 nan 4.420 nan 0.000 0.268 228 P C -0.635 176.529 177.300 -0.227 0.000 1.208 228 P CA -0.052 62.876 63.100 -0.287 0.000 0.777 228 P CB 0.405 31.938 31.700 -0.279 0.000 0.875 229 F N 2.999 122.800 119.950 -0.249 0.000 2.429 229 F HA 0.462 4.997 4.527 0.013 0.000 0.348 229 F C -0.131 175.624 175.800 -0.074 0.000 1.109 229 F CA -0.856 57.084 58.000 -0.100 0.000 1.232 229 F CB 0.060 39.104 39.000 0.073 0.000 1.157 229 F HN 0.143 nan 8.300 nan 0.000 0.564 230 I N 6.851 127.050 120.570 -0.618 0.000 2.607 230 I HA 0.334 4.512 4.170 0.013 0.000 0.290 230 I C -1.569 174.220 176.117 -0.546 0.000 1.129 230 I CA -0.661 60.311 61.300 -0.547 0.000 1.042 230 I CB 1.968 39.809 38.000 -0.264 0.000 1.242 230 I HN 0.512 nan 8.210 nan 0.000 0.421 231 F N 3.523 123.144 119.950 -0.548 0.000 2.585 231 F HA 0.664 5.199 4.527 0.014 0.000 0.319 231 F C -1.222 174.519 175.800 -0.099 0.000 1.165 231 F CA -0.744 57.073 58.000 -0.304 0.000 0.949 231 F CB 1.060 39.851 39.000 -0.350 0.000 1.218 231 F HN 0.308 nan 8.300 nan 0.000 0.453 232 Q N 2.651 122.498 119.800 0.077 0.000 2.278 232 Q HA 0.239 4.587 4.340 0.013 0.000 0.257 232 Q C -0.600 175.462 176.000 0.103 0.000 0.928 232 Q CA -0.744 55.071 55.803 0.020 0.000 0.932 232 Q CB 2.164 30.905 28.738 0.005 0.000 1.221 232 Q HN 0.745 nan 8.270 nan 0.000 0.434 233 E N 2.913 123.172 120.200 0.099 0.000 2.220 233 E HA 0.172 4.530 4.350 0.013 0.000 0.272 233 E C -1.293 175.359 176.600 0.086 0.000 1.099 233 E CA -0.145 56.389 56.400 0.222 0.000 0.907 233 E CB 0.534 30.381 29.700 0.245 0.000 1.022 233 E HN 0.329 nan 8.360 nan 0.000 0.428 234 V N 7.338 127.333 119.914 0.135 0.000 2.482 234 V HA 0.253 4.381 4.120 0.013 0.000 0.295 234 V C -0.036 176.088 176.094 0.049 0.000 1.026 234 V CA -0.652 61.615 62.300 -0.056 0.000 0.856 234 V CB 1.731 33.430 31.823 -0.207 0.000 1.001 234 V HN 0.660 nan 8.190 nan 0.000 0.424 235 I N 4.256 124.737 120.570 -0.148 0.000 2.256 235 I HA 0.280 4.458 4.170 0.013 0.000 0.294 235 I C -0.350 175.694 176.117 -0.122 0.000 1.127 235 I CA 0.143 61.271 61.300 -0.287 0.000 1.247 235 I CB 0.538 38.246 38.000 -0.487 0.000 1.460 235 I HN 0.544 nan 8.210 nan 0.000 0.511 236 D N 7.084 127.482 120.400 -0.003 0.000 2.458 236 D HA 0.304 4.952 4.640 0.013 0.000 0.258 236 D C 0.257 176.579 176.300 0.037 0.000 1.134 236 D CA -0.207 53.798 54.000 0.008 0.000 0.915 236 D CB 0.978 41.794 40.800 0.027 0.000 1.028 236 D HN 0.377 nan 8.370 nan 0.000 0.508 237 L N 1.658 122.888 121.223 0.011 0.000 2.356 237 L HA 0.384 4.732 4.340 0.013 0.000 0.193 237 L C 1.769 178.657 176.870 0.030 0.000 1.087 237 L CA 0.507 55.367 54.840 0.034 0.000 0.817 237 L CB -0.158 41.914 42.059 0.023 0.000 1.035 237 L HN 0.401 nan 8.230 nan 0.000 0.482 238 G N -1.107 107.697 108.800 0.007 0.000 3.411 238 G HA2 0.322 4.290 3.960 0.013 0.000 0.186 238 G HA3 0.322 4.290 3.960 0.013 0.000 0.186 238 G C 0.012 174.916 174.900 0.007 0.000 1.766 238 G CA 0.389 45.494 45.100 0.008 0.000 0.971 238 G HN 0.280 nan 8.290 nan 0.000 0.590 239 G N 0.384 109.184 108.800 0.001 0.000 3.205 239 G HA2 0.578 4.546 3.960 0.013 0.000 0.343 239 G HA3 0.578 4.546 3.960 0.013 0.000 0.343 239 G C -0.663 174.240 174.900 0.005 0.000 1.305 239 G CA -0.191 44.911 45.100 0.005 0.000 1.120 239 G HN 0.362 nan 8.290 nan 0.000 0.472 240 E N 0.800 121.003 120.200 0.005 0.000 2.281 240 E HA 0.561 4.920 4.350 0.013 0.000 0.262 240 E C 1.220 177.829 176.600 0.015 0.000 0.933 240 E CA -0.618 55.792 56.400 0.017 0.000 0.809 240 E CB 2.109 31.816 29.700 0.012 0.000 1.242 240 E HN 0.283 nan 8.360 nan 0.000 0.418 241 A N 1.731 124.564 122.820 0.022 0.000 1.892 241 A HA -0.126 4.202 4.320 0.013 0.000 0.218 241 A C 0.930 178.502 177.584 -0.019 0.000 1.188 241 A CA 1.234 53.273 52.037 0.004 0.000 0.631 241 A CB -0.536 18.462 19.000 -0.003 0.000 0.822 241 A HN 0.520 nan 8.150 nan 0.000 0.447 242 I N 1.058 121.609 120.570 -0.032 0.000 2.371 242 I HA 0.184 4.362 4.170 0.013 0.000 0.290 242 I C -0.307 175.805 176.117 -0.008 0.000 1.028 242 I CA -0.065 61.214 61.300 -0.035 0.000 1.345 242 I CB 1.582 39.546 38.000 -0.060 0.000 1.407 242 I HN 0.058 nan 8.210 nan 0.000 0.501 243 S N 3.025 118.724 115.700 -0.002 0.000 2.509 243 S HA 0.156 4.634 4.470 0.013 0.000 0.297 243 S C 1.057 175.652 174.600 -0.010 0.000 1.118 243 S CA -0.699 57.492 58.200 -0.016 0.000 1.074 243 S CB 1.777 64.955 63.200 -0.037 0.000 1.038 243 S HN 0.792 nan 8.310 nan 0.000 0.498 244 S N 1.847 117.522 115.700 -0.042 0.000 2.442 244 S HA -0.147 4.331 4.470 0.013 0.000 0.236 244 S C 1.652 176.024 174.600 -0.380 0.000 1.007 244 S CA 1.325 59.483 58.200 -0.070 0.000 0.965 244 S CB -0.755 62.444 63.200 -0.002 0.000 0.773 244 S HN 0.670 nan 8.310 nan 0.000 0.504 245 S N 2.298 117.643 115.700 -0.592 0.000 2.419 245 S HA -0.116 4.362 4.470 0.013 0.000 0.233 245 S C 1.594 175.866 174.600 -0.548 0.000 1.016 245 S CA 1.133 58.691 58.200 -1.069 0.000 0.974 245 S CB -0.565 62.340 63.200 -0.491 0.000 0.786 245 S HN 0.736 nan 8.310 nan 0.000 0.492 246 E N 0.379 120.434 120.200 -0.240 0.000 2.209 246 E HA -0.150 4.208 4.350 0.013 0.000 0.196 246 E C 0.709 177.152 176.600 -0.262 0.000 0.993 246 E CA 1.142 57.411 56.400 -0.219 0.000 0.819 246 E CB -0.279 29.260 29.700 -0.268 0.000 0.745 246 E HN 0.728 nan 8.360 nan 0.000 0.477 247 Y N -1.485 118.764 120.300 -0.086 0.000 2.485 247 Y HA 0.102 4.660 4.550 0.013 0.000 0.260 247 Y C 1.157 177.202 175.900 0.241 0.000 1.173 247 Y CA -0.386 57.753 58.100 0.066 0.000 1.252 247 Y CB 0.213 38.715 38.460 0.070 0.000 1.123 247 Y HN -0.013 nan 8.280 nan 0.000 0.524 248 F N -0.133 119.923 119.950 0.177 0.000 2.408 248 F HA -0.025 4.510 4.527 0.013 0.000 0.300 248 F C 2.159 178.021 175.800 0.103 0.000 1.090 248 F CA 0.787 58.865 58.000 0.130 0.000 1.427 248 F CB -1.082 37.975 39.000 0.095 0.000 1.070 248 F HN 0.131 nan 8.300 nan 0.000 0.549 249 G N -0.867 108.100 108.800 0.278 0.000 2.712 249 G HA2 -0.149 3.819 3.960 0.013 0.000 0.212 249 G HA3 -0.149 3.819 3.960 0.013 0.000 0.212 249 G C 1.567 176.584 174.900 0.194 0.000 1.142 249 G CA 0.226 45.433 45.100 0.179 0.000 0.789 249 G HN 0.225 nan 8.290 nan 0.000 0.535 250 N N 0.262 119.106 118.700 0.241 0.000 2.432 250 N HA 0.238 4.986 4.740 0.013 0.000 0.174 250 N C 1.124 176.834 175.510 0.333 0.000 1.037 250 N CA 1.066 54.265 53.050 0.248 0.000 0.892 250 N CB 1.040 39.661 38.487 0.223 0.000 1.049 250 N HN 0.417 nan 8.380 nan 0.000 0.442 251 G N -0.283 108.720 108.800 0.339 0.000 2.367 251 G HA2 0.217 4.185 3.960 0.013 0.000 0.272 251 G HA3 0.217 4.185 3.960 0.013 0.000 0.272 251 G C -1.311 173.749 174.900 0.268 0.000 1.271 251 G CA -0.885 44.459 45.100 0.406 0.000 0.893 251 G HN -0.001 nan 8.290 nan 0.000 0.485 252 R N -1.315 119.320 120.500 0.225 0.000 2.707 252 R HA 0.609 4.957 4.340 0.013 0.000 0.270 252 R C -0.382 176.066 176.300 0.247 0.000 1.083 252 R CA -0.052 56.159 56.100 0.186 0.000 1.182 252 R CB 1.114 31.540 30.300 0.209 0.000 1.084 252 R HN 0.373 nan 8.270 nan 0.000 0.528 253 V N 0.507 120.576 119.914 0.259 0.000 2.876 253 V HA 0.248 4.376 4.120 0.013 0.000 0.312 253 V C -0.417 175.827 176.094 0.250 0.000 1.085 253 V CA -1.085 61.398 62.300 0.304 0.000 0.945 253 V CB 2.188 34.268 31.823 0.428 0.000 1.017 253 V HN 0.963 nan 8.190 nan 0.000 0.428 254 T N 0.372 115.092 114.554 0.278 0.000 2.853 254 T HA 0.281 4.639 4.350 0.013 0.000 0.298 254 T C -0.082 174.707 174.700 0.148 0.000 0.978 254 T CA -0.236 62.001 62.100 0.227 0.000 1.152 254 T CB 0.762 69.811 68.868 0.301 0.000 0.914 254 T HN 0.710 nan 8.240 nan 0.000 0.539 255 E N 2.269 122.427 120.200 -0.069 0.000 2.136 255 E HA 0.306 4.664 4.350 0.013 0.000 0.246 255 E C -0.292 176.132 176.600 -0.293 0.000 1.017 255 E CA -0.873 55.462 56.400 -0.108 0.000 0.883 255 E CB -0.699 28.911 29.700 -0.151 0.000 1.199 255 E HN 0.652 nan 8.360 nan 0.000 0.447 256 F N 2.076 121.972 119.950 -0.091 0.000 2.583 256 F HA -0.024 4.511 4.527 0.013 0.000 0.297 256 F C 1.948 177.669 175.800 -0.131 0.000 1.131 256 F CA 0.746 58.698 58.000 -0.080 0.000 1.467 256 F CB 0.092 39.137 39.000 0.075 0.000 1.097 256 F HN 0.382 nan 8.300 nan 0.000 0.586 257 K N -0.828 119.527 120.400 -0.075 0.000 2.062 257 K HA -0.199 4.129 4.320 0.013 0.000 0.205 257 K C 1.944 178.339 176.600 -0.340 0.000 1.051 257 K CA 1.006 57.188 56.287 -0.175 0.000 0.941 257 K CB -0.345 31.988 32.500 -0.280 0.000 0.719 257 K HN 0.209 nan 8.250 nan 0.000 0.440 258 Y N 0.823 120.659 120.300 -0.774 0.000 2.014 258 Y HA -0.304 4.254 4.550 0.013 0.000 0.272 258 Y C 2.154 177.985 175.900 -0.114 0.000 1.164 258 Y CA 2.260 60.005 58.100 -0.592 0.000 1.114 258 Y CB -0.854 37.307 38.460 -0.499 0.000 0.961 258 Y HN 0.124 nan 8.280 nan 0.000 0.489 259 G N -0.842 107.992 108.800 0.057 0.000 2.448 259 G HA2 -0.198 3.770 3.960 0.013 0.000 0.219 259 G HA3 -0.198 3.770 3.960 0.013 0.000 0.219 259 G C 1.723 176.661 174.900 0.064 0.000 1.127 259 G CA 0.933 46.078 45.100 0.074 0.000 0.766 259 G HN 0.678 nan 8.290 nan 0.000 0.552 260 A N 1.016 123.879 122.820 0.073 0.000 1.845 260 A HA -0.007 4.321 4.320 0.013 0.000 0.215 260 A C 2.298 179.952 177.584 0.116 0.000 1.195 260 A CA 2.081 54.184 52.037 0.108 0.000 0.616 260 A CB -0.398 18.675 19.000 0.121 0.000 0.832 260 A HN 0.328 nan 8.150 nan 0.000 0.443 261 K N -0.553 119.946 120.400 0.165 0.000 2.097 261 K HA 0.094 4.422 4.320 0.013 0.000 0.205 261 K C 1.931 178.579 176.600 0.079 0.000 1.050 261 K CA 0.911 57.347 56.287 0.248 0.000 0.938 261 K CB -0.267 32.535 32.500 0.504 0.000 0.718 261 K HN 0.477 nan 8.250 nan 0.000 0.442 262 L N -0.046 121.157 121.223 -0.035 0.000 2.083 262 L HA -0.114 4.234 4.340 0.013 0.000 0.209 262 L C 2.027 178.721 176.870 -0.294 0.000 1.083 262 L CA 1.635 56.248 54.840 -0.379 0.000 0.752 262 L CB -0.461 41.340 42.059 -0.430 0.000 0.899 262 L HN 0.349 nan 8.230 nan 0.000 0.433 263 G N -1.936 106.781 108.800 -0.139 0.000 2.511 263 G HA2 -0.161 3.807 3.960 0.013 0.000 0.217 263 G HA3 -0.161 3.807 3.960 0.013 0.000 0.217 263 G C 1.393 176.182 174.900 -0.184 0.000 1.133 263 G CA 0.862 45.874 45.100 -0.146 0.000 0.792 263 G HN 0.325 nan 8.290 nan 0.000 0.539 264 T N 0.610 115.120 114.554 -0.073 0.000 2.904 264 T HA -0.032 4.326 4.350 0.013 0.000 0.267 264 T C 2.541 177.209 174.700 -0.054 0.000 1.059 264 T CA 0.934 63.040 62.100 0.010 0.000 1.137 264 T CB 0.043 68.999 68.868 0.146 0.000 0.879 264 T HN 0.080 nan 8.240 nan 0.000 0.467 265 V N 1.156 120.995 119.914 -0.125 0.000 2.346 265 V HA -0.063 4.065 4.120 0.013 0.000 0.244 265 V C 2.579 178.499 176.094 -0.291 0.000 1.037 265 V CA 1.098 63.284 62.300 -0.190 0.000 1.029 265 V CB -0.507 31.136 31.823 -0.299 0.000 0.663 265 V HN 0.282 nan 8.190 nan 0.000 0.454 266 V N 0.143 119.841 119.914 -0.360 0.000 2.913 266 V HA -0.139 3.989 4.120 0.013 0.000 0.260 266 V C 2.289 178.181 176.094 -0.337 0.000 1.098 266 V CA 1.546 63.630 62.300 -0.361 0.000 1.121 266 V CB -0.894 30.717 31.823 -0.353 0.000 0.714 266 V HN 0.485 nan 8.190 nan 0.000 0.487 267 R N -0.189 120.066 120.500 -0.408 0.000 2.300 267 R HA 0.147 4.495 4.340 0.013 0.000 0.199 267 R C 0.735 176.796 176.300 -0.398 0.000 0.920 267 R CA -0.108 55.621 56.100 -0.617 0.000 1.046 267 R CB 0.083 29.623 30.300 -1.266 0.000 0.984 267 R HN 0.390 nan 8.270 nan 0.000 0.493 268 K N -0.507 119.768 120.400 -0.208 0.000 3.130 268 K HA -0.183 4.145 4.320 0.013 0.000 0.282 268 K C -0.619 176.072 176.600 0.152 0.000 1.145 268 K CA 0.790 57.043 56.287 -0.057 0.000 0.831 268 K CB -1.121 31.340 32.500 -0.066 0.000 1.226 268 K HN 0.144 nan 8.250 nan 0.000 0.478 269 W N 1.206 122.484 121.300 -0.036 0.000 2.086 269 W HA 0.165 4.833 4.660 0.013 0.000 0.355 269 W C 1.126 177.648 176.519 0.005 0.000 1.313 269 W CA -0.532 56.804 57.345 -0.015 0.000 1.358 269 W CB 0.069 29.522 29.460 -0.012 0.000 1.166 269 W HN 0.137 nan 8.180 nan 0.000 0.630 270 S N 0.765 116.591 115.700 0.209 0.000 3.336 270 S HA -0.096 4.382 4.470 0.013 0.000 0.362 270 S C 1.116 175.791 174.600 0.126 0.000 0.941 270 S CA 1.148 59.420 58.200 0.120 0.000 1.297 270 S CB -1.678 61.597 63.200 0.125 0.000 0.915 270 S HN 1.480 nan 8.310 nan 0.000 0.527 271 G N -0.113 108.753 108.800 0.110 0.000 2.230 271 G HA2 -0.387 3.581 3.960 0.013 0.000 0.270 271 G HA3 -0.387 3.581 3.960 0.013 0.000 0.270 271 G C -0.041 174.954 174.900 0.159 0.000 0.987 271 G CA 1.102 46.271 45.100 0.116 0.000 0.664 271 G HN 0.749 nan 8.290 nan 0.000 0.539 272 E N 0.898 121.197 120.200 0.164 0.000 2.360 272 E HA 0.524 4.882 4.350 0.013 0.000 0.269 272 E C 0.628 177.142 176.600 -0.144 0.000 1.022 272 E CA 0.156 56.651 56.400 0.159 0.000 0.887 272 E CB 0.421 30.252 29.700 0.218 0.000 0.990 272 E HN 0.469 nan 8.360 nan 0.000 0.426 273 K N 3.823 123.865 120.400 -0.598 0.000 2.328 273 K HA 0.314 4.642 4.320 0.013 0.000 0.246 273 K C 0.836 177.118 176.600 -0.529 0.000 0.955 273 K CA -0.826 55.108 56.287 -0.588 0.000 0.817 273 K CB 1.393 33.482 32.500 -0.685 0.000 1.208 273 K HN 0.474 nan 8.250 nan 0.000 0.432 274 M N 0.987 120.374 119.600 -0.356 0.000 2.108 274 M HA -0.199 4.289 4.480 0.013 0.000 0.261 274 M C 2.007 178.235 176.300 -0.120 0.000 1.066 274 M CA 2.102 57.220 55.300 -0.304 0.000 1.107 274 M CB -0.479 31.933 32.600 -0.314 0.000 1.356 274 M HN 0.804 nan 8.290 nan 0.000 0.406 275 S N 0.074 115.730 115.700 -0.075 0.000 2.423 275 S HA -0.209 4.269 4.470 0.013 0.000 0.238 275 S C 1.540 176.347 174.600 0.345 0.000 1.028 275 S CA 1.215 59.538 58.200 0.206 0.000 1.000 275 S CB -1.012 62.245 63.200 0.094 0.000 0.797 275 S HN 0.429 nan 8.310 nan 0.000 0.487 276 Y N 1.934 122.311 120.300 0.128 0.000 2.403 276 Y HA 0.150 4.708 4.550 0.013 0.000 0.291 276 Y C 1.923 177.965 175.900 0.236 0.000 1.143 276 Y CA -0.481 57.706 58.100 0.145 0.000 1.257 276 Y CB -1.022 37.548 38.460 0.183 0.000 0.984 276 Y HN 0.311 nan 8.280 nan 0.000 0.550 277 L N 0.176 121.540 121.223 0.234 0.000 2.622 277 L HA -0.106 4.242 4.340 0.013 0.000 0.233 277 L C 2.189 178.924 176.870 -0.225 0.000 1.156 277 L CA 0.694 55.524 54.840 -0.017 0.000 0.866 277 L CB -0.487 41.297 42.059 -0.457 0.000 0.980 277 L HN 0.101 nan 8.230 nan 0.000 0.448 278 K N 0.836 120.812 120.400 -0.707 0.000 2.362 278 K HA -0.171 4.157 4.320 0.013 0.000 0.200 278 K C 1.499 177.795 176.600 -0.507 0.000 1.046 278 K CA 1.198 56.663 56.287 -1.371 0.000 0.952 278 K CB 0.100 31.627 32.500 -1.622 0.000 0.753 278 K HN 0.296 nan 8.250 nan 0.000 0.466 279 N N -0.279 118.340 118.700 -0.135 0.000 2.405 279 N HA -0.030 4.718 4.740 0.013 0.000 0.175 279 N C -0.539 175.020 175.510 0.082 0.000 1.051 279 N CA -0.224 52.853 53.050 0.044 0.000 0.899 279 N CB 0.103 38.707 38.487 0.194 0.000 1.000 279 N HN 0.234 nan 8.380 nan 0.000 0.451 280 W N 1.792 122.898 121.300 -0.324 0.000 2.790 280 W HA -0.137 4.530 4.660 0.012 0.000 0.314 280 W C 1.042 177.154 176.519 -0.678 0.000 0.964 280 W CA 1.841 58.692 57.345 -0.824 0.000 1.207 280 W CB 0.009 28.986 29.460 -0.805 0.000 1.120 280 W HN 0.399 nan 8.180 nan 0.000 0.541 281 G N 3.583 111.315 108.800 -1.781 0.000 2.601 281 G HA2 -0.313 3.655 3.960 0.013 0.000 0.224 281 G HA3 -0.313 3.655 3.960 0.013 0.000 0.224 281 G C 0.362 174.579 174.900 -1.138 0.000 1.171 281 G CA 0.245 44.434 45.100 -1.517 0.000 1.009 281 G HN 0.543 nan 8.290 nan 0.000 0.589 282 E N 1.184 121.061 120.200 -0.538 0.000 2.478 282 E HA 0.216 4.574 4.350 0.013 0.000 0.198 282 E C 2.262 178.719 176.600 -0.238 0.000 1.046 282 E CA 0.822 57.075 56.400 -0.246 0.000 0.870 282 E CB -0.247 29.434 29.700 -0.030 0.000 0.818 282 E HN 0.713 nan 8.360 nan 0.000 0.527 283 G N -0.395 108.249 108.800 -0.261 0.000 2.813 283 G HA2 -0.136 3.832 3.960 0.013 0.000 0.209 283 G HA3 -0.136 3.832 3.960 0.013 0.000 0.209 283 G C 0.237 174.999 174.900 -0.230 0.000 1.150 283 G CA -0.190 44.809 45.100 -0.168 0.000 0.785 283 G HN 0.231 nan 8.290 nan 0.000 0.535 284 W N 0.008 120.858 121.300 -0.751 0.000 3.102 284 W HA 0.465 5.132 4.660 0.012 0.000 0.401 284 W C 1.397 177.579 176.519 -0.562 0.000 1.070 284 W CA -0.785 56.075 57.345 -0.809 0.000 1.921 284 W CB 0.040 28.635 29.460 -1.441 0.000 1.118 284 W HN 0.230 nan 8.180 nan 0.000 0.647 285 G N 0.258 108.955 108.800 -0.172 0.000 2.160 285 G HA2 -0.284 3.684 3.960 0.013 0.000 0.244 285 G HA3 -0.284 3.684 3.960 0.013 0.000 0.244 285 G C -0.209 174.858 174.900 0.279 0.000 1.022 285 G CA -0.512 44.610 45.100 0.036 0.000 0.741 285 G HN 0.003 nan 8.290 nan 0.000 0.508 286 F N 0.780 120.702 119.950 -0.047 0.000 2.403 286 F HA 0.689 5.225 4.527 0.016 0.000 0.326 286 F C 1.482 177.349 175.800 0.111 0.000 1.081 286 F CA -1.975 56.017 58.000 -0.013 0.000 1.041 286 F CB 0.774 39.634 39.000 -0.233 0.000 1.234 286 F HN 0.307 nan 8.300 nan 0.000 0.503 287 M N 1.760 121.609 119.600 0.414 0.000 2.184 287 M HA 0.307 4.795 4.480 0.013 0.000 0.296 287 M C -2.523 173.956 176.300 0.298 0.000 1.165 287 M CA -1.381 54.148 55.300 0.381 0.000 1.175 287 M CB -0.658 32.228 32.600 0.476 0.000 1.392 287 M HN 0.166 nan 8.290 nan 0.000 0.457 288 P HA 0.044 nan 4.420 nan 0.000 0.268 288 P C 0.339 177.649 177.300 0.018 0.000 1.204 288 P CA 0.055 63.205 63.100 0.084 0.000 0.768 288 P CB 0.890 32.578 31.700 -0.021 0.000 0.842 289 S N 2.965 118.713 115.700 0.080 0.000 2.389 289 S HA -0.245 4.233 4.470 0.013 0.000 0.231 289 S C 1.230 175.689 174.600 -0.236 0.000 1.052 289 S CA 2.228 60.286 58.200 -0.238 0.000 1.053 289 S CB -1.090 62.071 63.200 -0.065 0.000 0.886 289 S HN 0.673 nan 8.310 nan 0.000 0.456 290 D N -0.288 120.029 120.400 -0.139 0.000 2.403 290 D HA -0.067 4.581 4.640 0.013 0.000 0.227 290 D C 1.390 177.585 176.300 -0.176 0.000 0.995 290 D CA 0.512 54.432 54.000 -0.134 0.000 0.928 290 D CB -0.169 40.569 40.800 -0.104 0.000 0.887 290 D HN 0.351 nan 8.370 nan 0.000 0.529 291 R N -0.660 119.690 120.500 -0.250 0.000 2.541 291 R HA 0.403 4.751 4.340 0.013 0.000 0.332 291 R C -0.103 176.089 176.300 -0.181 0.000 0.951 291 R CA -0.006 55.904 56.100 -0.317 0.000 1.136 291 R CB 0.858 30.648 30.300 -0.849 0.000 1.449 291 R HN 0.173 nan 8.270 nan 0.000 0.531 292 A N 1.776 124.488 122.820 -0.181 0.000 2.290 292 A HA 0.518 4.846 4.320 0.013 0.000 0.310 292 A C -0.524 176.986 177.584 -0.123 0.000 1.202 292 A CA -0.448 51.503 52.037 -0.144 0.000 0.837 292 A CB 0.646 19.482 19.000 -0.273 0.000 1.139 292 A HN 0.194 nan 8.150 nan 0.000 0.509 293 L N 4.002 125.195 121.223 -0.049 0.000 2.272 293 L HA 0.656 5.004 4.340 0.013 0.000 0.289 293 L C -0.784 176.009 176.870 -0.129 0.000 1.032 293 L CA -0.149 54.656 54.840 -0.058 0.000 0.810 293 L CB 1.352 43.365 42.059 -0.077 0.000 1.205 293 L HN 0.433 nan 8.230 nan 0.000 0.422 294 V N 6.059 125.840 119.914 -0.222 0.000 2.715 294 V HA 0.715 4.843 4.120 0.013 0.000 0.310 294 V C -0.650 175.275 176.094 -0.283 0.000 1.054 294 V CA -0.328 61.674 62.300 -0.497 0.000 0.928 294 V CB 1.726 33.087 31.823 -0.771 0.000 1.007 294 V HN 0.756 nan 8.190 nan 0.000 0.437 295 F N 1.750 121.488 119.950 -0.353 0.000 2.744 295 F HA 0.638 5.174 4.527 0.014 0.000 0.311 295 F C -0.412 175.411 175.800 0.037 0.000 1.144 295 F CA -0.807 57.108 58.000 -0.142 0.000 0.938 295 F CB 0.859 39.791 39.000 -0.114 0.000 1.292 295 F HN 0.104 nan 8.300 nan 0.000 0.444 296 V N -0.093 120.001 119.914 0.301 0.000 2.521 296 V HA 0.011 4.139 4.120 0.013 0.000 0.239 296 V C 1.085 177.435 176.094 0.427 0.000 1.053 296 V CA 1.878 64.362 62.300 0.307 0.000 1.073 296 V CB -0.129 31.846 31.823 0.254 0.000 0.746 296 V HN 0.887 nan 8.190 nan 0.000 0.476 297 D N -0.120 120.580 120.400 0.500 0.000 2.162 297 D HA 0.079 4.727 4.640 0.013 0.000 0.252 297 D C 0.752 177.229 176.300 0.296 0.000 1.095 297 D CA 1.223 55.458 54.000 0.393 0.000 0.928 297 D CB -0.009 41.006 40.800 0.358 0.000 0.989 297 D HN 0.463 nan 8.370 nan 0.000 0.401 298 N N -1.131 117.635 118.700 0.111 0.000 4.312 298 N HA -0.217 4.531 4.740 0.013 0.000 0.332 298 N C 0.801 176.218 175.510 -0.155 0.000 2.112 298 N CA 0.600 53.579 53.050 -0.118 0.000 2.940 298 N CB -0.681 37.610 38.487 -0.326 0.000 0.336 298 N HN 0.551 nan 8.380 nan 0.000 0.750 299 H N 1.772 120.638 119.070 -0.340 0.000 2.489 299 H HA -0.099 4.465 4.556 0.013 0.000 0.295 299 H C 0.712 175.710 175.328 -0.550 0.000 1.082 299 H CA 2.097 57.708 56.048 -0.728 0.000 1.295 299 H CB 0.119 29.132 29.762 -1.248 0.000 1.380 299 H HN 0.591 nan 8.280 nan 0.000 0.548 300 D N 0.372 120.380 120.400 -0.653 0.000 2.320 300 D HA -0.065 4.583 4.640 0.013 0.000 0.228 300 D C 2.089 178.361 176.300 -0.046 0.000 0.978 300 D CA 0.476 54.297 54.000 -0.298 0.000 0.905 300 D CB 0.102 40.779 40.800 -0.205 0.000 1.051 300 D HN 0.198 nan 8.370 nan 0.000 0.471 301 N N 1.109 119.838 118.700 0.049 0.000 2.060 301 N HA -0.230 4.518 4.740 0.013 0.000 0.195 301 N C 1.800 177.394 175.510 0.140 0.000 1.028 301 N CA 1.310 54.452 53.050 0.153 0.000 0.861 301 N CB -0.505 38.130 38.487 0.246 0.000 1.029 301 N HN 0.521 nan 8.380 nan 0.000 0.428 302 Q N 0.803 120.661 119.800 0.098 0.000 2.248 302 Q HA -0.093 4.255 4.340 0.013 0.000 0.208 302 Q C 0.911 177.075 176.000 0.272 0.000 0.984 302 Q CA 1.109 57.006 55.803 0.156 0.000 0.875 302 Q CB -0.290 28.529 28.738 0.136 0.000 0.910 302 Q HN 0.355 nan 8.270 nan 0.000 0.433 303 R N 0.482 121.105 120.500 0.205 0.000 2.325 303 R HA 0.216 4.564 4.340 0.013 0.000 0.214 303 R C 1.100 177.577 176.300 0.295 0.000 0.961 303 R CA 0.621 56.890 56.100 0.282 0.000 1.086 303 R CB 0.316 30.703 30.300 0.146 0.000 1.037 303 R HN 0.532 nan 8.270 nan 0.000 0.493 304 G N 1.444 110.420 108.800 0.292 0.000 4.365 304 G HA2 -0.344 3.624 3.960 0.013 0.000 0.214 304 G HA3 -0.344 3.624 3.960 0.013 0.000 0.214 304 G C 0.315 175.425 174.900 0.349 0.000 1.450 304 G CA 0.144 45.455 45.100 0.352 0.000 0.937 304 G HN 0.484 nan 8.290 nan 0.000 0.625 305 H N 3.181 122.350 119.070 0.164 0.000 2.842 305 H HA 0.496 5.060 4.556 0.014 0.000 0.312 305 H C 1.386 176.770 175.328 0.093 0.000 1.137 305 H CA 0.700 56.821 56.048 0.122 0.000 1.176 305 H CB -0.376 29.452 29.762 0.110 0.000 1.361 305 H HN 0.675 nan 8.280 nan 0.000 0.557 306 G N -0.733 108.172 108.800 0.176 0.000 2.531 306 G HA2 0.450 4.419 3.960 0.013 0.000 0.281 306 G HA3 0.450 4.419 3.960 0.013 0.000 0.281 306 G C -0.341 174.601 174.900 0.071 0.000 1.382 306 G CA -0.399 44.769 45.100 0.114 0.000 1.045 306 G HN 0.439 nan 8.290 nan 0.000 0.533 307 A N -0.898 121.947 122.820 0.042 0.000 2.639 307 A HA 0.522 4.850 4.320 0.013 0.000 0.295 307 A C 1.286 178.955 177.584 0.142 0.000 1.443 307 A CA 1.022 53.072 52.037 0.022 0.000 1.117 307 A CB -1.099 17.813 19.000 -0.147 0.000 1.098 307 A HN 2.272 nan 8.150 nan 0.000 0.552 308 G N 0.783 109.645 108.800 0.104 0.000 2.813 308 G HA2 0.289 4.257 3.960 0.013 0.000 0.194 308 G HA3 0.289 4.257 3.960 0.013 0.000 0.194 308 G C 1.457 176.423 174.900 0.110 0.000 1.010 308 G CA 0.797 45.974 45.100 0.127 0.000 0.771 308 G HN 2.434 nan 8.290 nan 0.000 0.485 309 G N 0.474 109.327 108.800 0.089 0.000 2.596 309 G HA2 -0.125 3.843 3.960 0.013 0.000 0.304 309 G HA3 -0.125 3.843 3.960 0.013 0.000 0.304 309 G C 1.672 176.645 174.900 0.122 0.000 1.189 309 G CA 2.833 47.969 45.100 0.061 0.000 0.986 309 G HN 2.084 nan 8.290 nan 0.000 0.548 310 S N -0.026 115.757 115.700 0.139 0.000 2.527 310 S HA 0.196 4.674 4.470 0.013 0.000 0.222 310 S C 2.231 177.001 174.600 0.283 0.000 0.985 310 S CA 1.519 59.851 58.200 0.221 0.000 0.921 310 S CB -0.032 63.310 63.200 0.236 0.000 0.772 310 S HN 1.334 nan 8.310 nan 0.000 0.529 311 S N 1.435 117.286 115.700 0.251 0.000 2.406 311 S HA 0.181 4.659 4.470 0.013 0.000 0.228 311 S C 0.628 175.250 174.600 0.037 0.000 1.020 311 S CA -0.095 58.197 58.200 0.154 0.000 0.965 311 S CB -0.696 62.612 63.200 0.180 0.000 0.798 311 S HN 0.440 nan 8.310 nan 0.000 0.488 312 I N 2.317 122.947 120.570 0.099 0.000 2.826 312 I HA -0.012 4.166 4.170 0.013 0.000 0.295 312 I C -0.100 176.063 176.117 0.077 0.000 1.213 312 I CA 0.433 61.800 61.300 0.111 0.000 1.436 312 I CB 0.056 38.151 38.000 0.159 0.000 1.348 312 I HN 0.185 nan 8.210 nan 0.000 0.570 313 L N 7.047 128.334 121.223 0.107 0.000 2.334 313 L HA 0.498 4.846 4.340 0.013 0.000 0.277 313 L C 0.352 177.233 176.870 0.019 0.000 1.075 313 L CA -0.091 54.819 54.840 0.116 0.000 0.804 313 L CB 1.207 43.410 42.059 0.241 0.000 1.174 313 L HN 0.657 nan 8.230 nan 0.000 0.438 314 T N -0.102 114.305 114.554 -0.245 0.000 2.693 314 T HA 0.256 4.614 4.350 0.013 0.000 0.278 314 T C 0.591 174.775 174.700 -0.861 0.000 0.994 314 T CA -0.428 61.296 62.100 -0.627 0.000 1.033 314 T CB 0.867 69.594 68.868 -0.236 0.000 1.342 314 T HN 0.415 nan 8.240 nan 0.000 0.538 315 F N -1.415 118.144 119.950 -0.652 0.000 2.604 315 F HA 0.201 4.736 4.527 0.013 0.000 0.298 315 F C 1.400 177.115 175.800 -0.140 0.000 1.131 315 F CA 0.029 57.846 58.000 -0.305 0.000 1.457 315 F CB -0.805 38.021 39.000 -0.291 0.000 1.095 315 F HN 0.470 nan 8.300 nan 0.000 0.574 316 W N 1.485 122.477 121.300 -0.513 0.000 2.519 316 W HA -0.013 4.655 4.660 0.013 0.000 0.266 316 W C 0.745 177.212 176.519 -0.087 0.000 1.253 316 W CA 0.671 57.844 57.345 -0.286 0.000 1.274 316 W CB -0.221 28.987 29.460 -0.421 0.000 1.114 316 W HN -0.001 nan 8.180 nan 0.000 0.596 317 D N -0.034 120.437 120.400 0.119 0.000 2.738 317 D HA 0.242 4.890 4.640 0.013 0.000 0.246 317 D C 1.746 178.158 176.300 0.188 0.000 1.270 317 D CA 0.392 54.462 54.000 0.117 0.000 0.833 317 D CB -0.093 40.748 40.800 0.069 0.000 1.040 317 D HN 0.029 nan 8.370 nan 0.000 0.487 318 A N 1.363 124.322 122.820 0.231 0.000 1.968 318 A HA -0.356 3.972 4.320 0.013 0.000 0.227 318 A C 2.216 179.945 177.584 0.242 0.000 1.381 318 A CA 1.619 53.833 52.037 0.295 0.000 0.697 318 A CB -0.402 18.634 19.000 0.060 0.000 0.836 318 A HN 0.225 nan 8.150 nan 0.000 0.497 319 R N -0.748 119.834 120.500 0.137 0.000 2.109 319 R HA -0.102 4.246 4.340 0.013 0.000 0.227 319 R C 2.276 178.649 176.300 0.121 0.000 1.132 319 R CA 1.979 58.145 56.100 0.111 0.000 0.907 319 R CB -0.892 29.445 30.300 0.062 0.000 0.825 319 R HN 0.628 nan 8.270 nan 0.000 0.432 320 L N -0.180 121.089 121.223 0.077 0.000 2.127 320 L HA -0.233 4.115 4.340 0.013 0.000 0.211 320 L C 2.526 179.435 176.870 0.066 0.000 1.089 320 L CA 1.269 56.119 54.840 0.017 0.000 0.757 320 L CB -0.716 41.315 42.059 -0.048 0.000 0.899 320 L HN 0.307 nan 8.230 nan 0.000 0.434 321 Y N 1.381 121.702 120.300 0.035 0.000 2.128 321 Y HA -0.268 4.290 4.550 0.014 0.000 0.284 321 Y C 2.582 178.548 175.900 0.110 0.000 1.154 321 Y CA 1.564 59.713 58.100 0.082 0.000 1.149 321 Y CB -0.194 38.369 38.460 0.173 0.000 0.976 321 Y HN 0.012 nan 8.280 nan 0.000 0.505 322 K N -0.864 119.624 120.400 0.147 0.000 2.097 322 K HA -0.127 4.201 4.320 0.013 0.000 0.206 322 K C 2.032 178.583 176.600 -0.081 0.000 1.049 322 K CA 1.418 57.769 56.287 0.107 0.000 0.933 322 K CB -0.369 32.316 32.500 0.310 0.000 0.717 322 K HN 0.195 nan 8.250 nan 0.000 0.442 323 V N 1.020 120.836 119.914 -0.164 0.000 2.515 323 V HA -0.221 3.907 4.120 0.013 0.000 0.250 323 V C 2.166 178.039 176.094 -0.370 0.000 1.058 323 V CA 1.950 63.985 62.300 -0.443 0.000 1.064 323 V CB -0.305 31.363 31.823 -0.258 0.000 0.675 323 V HN 0.352 nan 8.190 nan 0.000 0.461 324 A N -0.464 122.197 122.820 -0.264 0.000 1.898 324 A HA -0.070 4.258 4.320 0.013 0.000 0.214 324 A C 2.275 179.758 177.584 -0.169 0.000 1.183 324 A CA 1.491 53.383 52.037 -0.241 0.000 0.622 324 A CB -0.449 18.451 19.000 -0.167 0.000 0.824 324 A HN 0.316 nan 8.150 nan 0.000 0.444 325 V N 0.198 119.955 119.914 -0.263 0.000 2.515 325 V HA -0.130 3.998 4.120 0.013 0.000 0.250 325 V C 2.703 178.765 176.094 -0.054 0.000 1.058 325 V CA 1.676 63.858 62.300 -0.197 0.000 1.064 325 V CB -1.403 30.208 31.823 -0.353 0.000 0.675 325 V HN 0.585 nan 8.190 nan 0.000 0.461 326 G N -0.465 108.300 108.800 -0.059 0.000 2.464 326 G HA2 -0.307 3.661 3.960 0.013 0.000 0.214 326 G HA3 -0.307 3.661 3.960 0.013 0.000 0.214 326 G C 1.548 176.500 174.900 0.087 0.000 1.218 326 G CA 0.958 46.072 45.100 0.024 0.000 0.794 326 G HN 0.462 nan 8.290 nan 0.000 0.542 327 F N 1.282 121.199 119.950 -0.054 0.000 2.147 327 F HA -0.185 4.349 4.527 0.012 0.000 0.301 327 F C 2.605 178.436 175.800 0.052 0.000 1.084 327 F CA 2.326 60.296 58.000 -0.051 0.000 1.268 327 F CB -0.070 38.586 39.000 -0.573 0.000 1.009 327 F HN 0.211 nan 8.300 nan 0.000 0.486 328 M N -0.031 119.660 119.600 0.152 0.000 2.067 328 M HA -0.193 4.295 4.480 0.013 0.000 0.260 328 M C 1.981 178.356 176.300 0.124 0.000 1.069 328 M CA 1.987 57.432 55.300 0.242 0.000 1.117 328 M CB -0.516 32.251 32.600 0.279 0.000 1.334 328 M HN 0.273 nan 8.290 nan 0.000 0.407 329 L N 0.420 121.676 121.223 0.054 0.000 2.131 329 L HA -0.132 4.216 4.340 0.013 0.000 0.210 329 L C 2.739 179.645 176.870 0.061 0.000 1.092 329 L CA 1.108 55.963 54.840 0.025 0.000 0.759 329 L CB -0.872 41.191 42.059 0.007 0.000 0.903 329 L HN 0.502 nan 8.230 nan 0.000 0.435 330 A N -1.618 121.216 122.820 0.023 0.000 1.975 330 A HA -0.114 4.214 4.320 0.013 0.000 0.215 330 A C 0.986 178.756 177.584 0.312 0.000 1.170 330 A CA 0.225 52.319 52.037 0.096 0.000 0.656 330 A CB -0.540 18.361 19.000 -0.165 0.000 0.821 330 A HN 0.410 nan 8.150 nan 0.000 0.449 331 H N 0.563 119.686 119.070 0.089 0.000 2.683 331 H HA 0.242 4.805 4.556 0.013 0.000 0.339 331 H C -1.469 173.965 175.328 0.177 0.000 1.081 331 H CA -1.158 54.942 56.048 0.087 0.000 1.432 331 H CB 1.203 30.820 29.762 -0.241 0.000 1.462 331 H HN 0.037 nan 8.280 nan 0.000 0.557 332 P HA -0.174 nan 4.420 nan 0.000 0.226 332 P C -0.151 177.258 177.300 0.182 0.000 1.153 332 P CA 0.724 63.853 63.100 0.049 0.000 0.777 332 P CB -0.111 31.584 31.700 -0.009 0.000 0.794 333 Y N 2.356 122.852 120.300 0.326 0.000 2.620 333 Y HA 0.316 4.874 4.550 0.013 0.000 0.330 333 Y C 1.358 177.316 175.900 0.097 0.000 1.186 333 Y CA 1.091 59.340 58.100 0.248 0.000 1.467 333 Y CB -0.400 38.261 38.460 0.336 0.000 1.262 333 Y HN 0.280 nan 8.280 nan 0.000 0.550 334 G N 4.694 113.089 108.800 -0.675 0.000 2.914 334 G HA2 -0.338 3.630 3.960 0.013 0.000 0.254 334 G HA3 -0.338 3.630 3.960 0.013 0.000 0.254 334 G C -0.997 173.756 174.900 -0.246 0.000 1.449 334 G CA -0.161 44.594 45.100 -0.573 0.000 0.925 334 G HN 0.901 nan 8.290 nan 0.000 0.555 335 F N 1.779 121.560 119.950 -0.282 0.000 2.420 335 F HA 0.577 5.111 4.527 0.013 0.000 0.352 335 F C 1.348 177.017 175.800 -0.219 0.000 1.108 335 F CA 0.152 58.023 58.000 -0.215 0.000 1.162 335 F CB 1.182 40.061 39.000 -0.202 0.000 1.118 335 F HN 0.748 nan 8.300 nan 0.000 0.510 336 T N 4.678 118.775 114.554 -0.761 0.000 2.771 336 T HA 0.405 4.763 4.350 0.013 0.000 0.291 336 T C -0.355 174.134 174.700 -0.352 0.000 0.954 336 T CA -0.915 60.910 62.100 -0.458 0.000 1.045 336 T CB 1.221 69.874 68.868 -0.358 0.000 0.917 336 T HN 0.774 nan 8.240 nan 0.000 0.484 337 R N 2.665 123.091 120.500 -0.123 0.000 2.437 337 R HA 0.607 4.955 4.340 0.013 0.000 0.310 337 R C -1.521 174.812 176.300 0.055 0.000 0.955 337 R CA -0.712 55.372 56.100 -0.026 0.000 0.851 337 R CB 1.465 31.744 30.300 -0.034 0.000 1.161 337 R HN 0.602 nan 8.270 nan 0.000 0.446 338 V N 5.358 125.321 119.914 0.080 0.000 2.532 338 V HA 0.351 4.479 4.120 0.013 0.000 0.295 338 V C 0.296 176.477 176.094 0.145 0.000 1.041 338 V CA -0.827 61.549 62.300 0.126 0.000 0.926 338 V CB 1.544 33.457 31.823 0.151 0.000 0.992 338 V HN 0.823 nan 8.190 nan 0.000 0.457 339 M N 3.307 123.007 119.600 0.167 0.000 2.291 339 M HA 0.550 5.038 4.480 0.013 0.000 0.324 339 M C -0.064 176.283 176.300 0.079 0.000 1.148 339 M CA 0.759 56.136 55.300 0.130 0.000 1.104 339 M CB 1.523 34.215 32.600 0.154 0.000 1.483 339 M HN 0.682 nan 8.290 nan 0.000 0.467 340 S N 1.898 117.610 115.700 0.020 0.000 2.706 340 S HA 0.700 5.178 4.470 0.013 0.000 0.270 340 S C -1.242 173.423 174.600 0.108 0.000 1.163 340 S CA -0.407 57.812 58.200 0.031 0.000 1.042 340 S CB 0.395 63.559 63.200 -0.060 0.000 1.079 340 S HN 0.928 nan 8.310 nan 0.000 0.474 341 S N 3.339 119.091 115.700 0.086 0.000 2.874 341 S HA 0.899 5.377 4.470 0.013 0.000 0.318 341 S C -1.201 173.507 174.600 0.179 0.000 1.109 341 S CA -0.810 57.482 58.200 0.152 0.000 0.878 341 S CB 0.685 63.895 63.200 0.018 0.000 1.307 341 S HN 0.943 nan 8.310 nan 0.000 0.592 342 Y N -1.093 119.307 120.300 0.167 0.000 2.512 342 Y HA 0.766 5.325 4.550 0.014 0.000 0.348 342 Y C -0.152 175.803 175.900 0.091 0.000 0.990 342 Y CA -1.354 56.712 58.100 -0.056 0.000 1.033 342 Y CB 0.887 39.143 38.460 -0.340 0.000 1.259 342 Y HN 0.680 nan 8.280 nan 0.000 0.461 343 R N 1.539 122.120 120.500 0.136 0.000 2.707 343 R HA 0.424 4.772 4.340 0.013 0.000 0.270 343 R C -1.500 175.164 176.300 0.605 0.000 1.083 343 R CA 0.059 56.305 56.100 0.244 0.000 1.182 343 R CB 0.663 30.976 30.300 0.021 0.000 1.084 343 R HN 0.979 nan 8.270 nan 0.000 0.528 344 W N -0.947 120.597 121.300 0.407 0.000 3.275 344 W HA 0.494 5.162 4.660 0.013 0.000 0.306 344 W C -1.848 174.796 176.519 0.209 0.000 1.259 344 W CA -1.037 56.457 57.345 0.248 0.000 1.194 344 W CB 0.474 30.064 29.460 0.217 0.000 1.375 344 W HN 0.604 nan 8.180 nan 0.000 0.564 345 A N 4.434 127.369 122.820 0.192 0.000 2.541 345 A HA 0.358 4.686 4.320 0.013 0.000 0.293 345 A C 0.534 178.083 177.584 -0.058 0.000 1.307 345 A CA -0.262 51.787 52.037 0.019 0.000 0.978 345 A CB -0.299 18.723 19.000 0.036 0.000 1.111 345 A HN 0.599 nan 8.150 nan 0.000 0.535 346 R N 1.358 121.637 120.500 -0.369 0.000 2.774 346 R HA 0.201 4.549 4.340 0.013 0.000 0.269 346 R C -0.147 175.983 176.300 -0.283 0.000 1.068 346 R CA 0.126 55.949 56.100 -0.460 0.000 1.180 346 R CB 0.422 30.225 30.300 -0.828 0.000 1.077 346 R HN 0.888 nan 8.270 nan 0.000 0.513 347 N N 1.309 119.786 118.700 -0.372 0.000 3.049 347 N HA 0.117 4.865 4.740 0.013 0.000 0.241 347 N C -1.722 173.627 175.510 -0.268 0.000 1.323 347 N CA -0.226 52.706 53.050 -0.196 0.000 0.824 347 N CB 0.471 38.911 38.487 -0.078 0.000 1.557 347 N HN 0.209 nan 8.380 nan 0.000 0.612 348 F N 1.845 121.775 119.950 -0.034 0.000 2.396 348 F HA 0.422 4.957 4.527 0.013 0.000 0.343 348 F C 0.469 176.270 175.800 0.002 0.000 1.104 348 F CA -0.461 57.530 58.000 -0.015 0.000 1.161 348 F CB 1.509 40.492 39.000 -0.029 0.000 1.146 348 F HN -0.001 nan 8.300 nan 0.000 0.522 349 V N 4.234 124.260 119.914 0.186 0.000 2.380 349 V HA 0.234 4.362 4.120 0.013 0.000 0.272 349 V C 0.107 176.275 176.094 0.125 0.000 1.011 349 V CA -0.988 61.383 62.300 0.119 0.000 0.826 349 V CB 0.677 32.544 31.823 0.072 0.000 1.040 349 V HN 0.943 nan 8.190 nan 0.000 0.441 350 N N 3.662 122.433 118.700 0.119 0.000 2.738 350 N HA -0.223 4.525 4.740 0.013 0.000 0.249 350 N C 1.093 176.688 175.510 0.141 0.000 1.047 350 N CA 1.038 54.147 53.050 0.099 0.000 0.707 350 N CB -0.577 37.955 38.487 0.075 0.000 0.937 350 N HN 1.317 nan 8.380 nan 0.000 0.545 351 G N -0.457 108.457 108.800 0.190 0.000 2.254 351 G HA2 -0.277 3.691 3.960 0.013 0.000 0.225 351 G HA3 -0.277 3.691 3.960 0.013 0.000 0.225 351 G C -0.214 175.003 174.900 0.528 0.000 1.003 351 G CA 0.451 45.713 45.100 0.270 0.000 0.622 351 G HN 0.519 nan 8.290 nan 0.000 0.507 352 E N 1.007 121.408 120.200 0.335 0.000 2.175 352 E HA 0.425 4.783 4.350 0.013 0.000 0.278 352 E C -1.210 175.373 176.600 -0.029 0.000 0.969 352 E CA -0.710 55.678 56.400 -0.020 0.000 0.796 352 E CB 0.980 30.459 29.700 -0.368 0.000 1.104 352 E HN 0.101 nan 8.360 nan 0.000 0.395 353 D N 4.138 124.408 120.400 -0.218 0.000 2.435 353 D HA -0.010 4.638 4.640 0.013 0.000 0.230 353 D C 0.662 176.861 176.300 -0.168 0.000 1.215 353 D CA -0.008 53.692 54.000 -0.499 0.000 0.947 353 D CB 0.732 41.190 40.800 -0.571 0.000 1.048 353 D HN 0.184 nan 8.370 nan 0.000 0.512 354 V N 3.890 123.747 119.914 -0.094 0.000 3.284 354 V HA -0.146 3.982 4.120 0.013 0.000 0.273 354 V C 0.867 177.049 176.094 0.148 0.000 1.178 354 V CA 1.189 63.520 62.300 0.053 0.000 1.177 354 V CB -0.535 31.328 31.823 0.067 0.000 0.793 354 V HN 0.483 nan 8.190 nan 0.000 0.536 355 N N 0.058 118.758 118.700 -0.001 0.000 2.235 355 N HA 0.050 4.798 4.740 0.013 0.000 0.231 355 N C 1.040 176.358 175.510 -0.321 0.000 1.177 355 N CA 0.466 53.394 53.050 -0.204 0.000 0.874 355 N CB 0.225 38.640 38.487 -0.119 0.000 1.097 355 N HN 0.617 nan 8.380 nan 0.000 0.518 356 D N -0.192 120.178 120.400 -0.050 0.000 2.392 356 D HA -0.147 4.501 4.640 0.013 0.000 0.228 356 D C 1.446 177.863 176.300 0.195 0.000 1.003 356 D CA 0.232 54.222 54.000 -0.018 0.000 0.917 356 D CB -0.436 40.461 40.800 0.161 0.000 0.890 356 D HN 0.512 nan 8.370 nan 0.000 0.532 357 W N 0.726 122.194 121.300 0.280 0.000 2.737 357 W HA 0.253 4.921 4.660 0.013 0.000 0.262 357 W C 0.471 177.078 176.519 0.146 0.000 1.282 357 W CA -0.765 56.771 57.345 0.319 0.000 1.386 357 W CB -0.701 28.919 29.460 0.267 0.000 1.099 357 W HN -0.243 nan 8.180 nan 0.000 0.621 358 I N 3.114 123.393 120.570 -0.485 0.000 3.015 358 I HA -0.082 4.096 4.170 0.013 0.000 0.309 358 I C 1.570 177.747 176.117 0.099 0.000 1.229 358 I CA 0.951 62.016 61.300 -0.392 0.000 1.430 358 I CB -0.244 37.440 38.000 -0.527 0.000 1.347 358 I HN -0.076 nan 8.210 nan 0.000 0.544 359 G N 8.193 117.048 108.800 0.093 0.000 2.611 359 G HA2 0.285 4.253 3.960 0.013 0.000 0.273 359 G HA3 0.285 4.253 3.960 0.013 0.000 0.273 359 G C -2.332 172.354 174.900 -0.358 0.000 1.305 359 G CA -0.801 44.317 45.100 0.030 0.000 1.010 359 G HN 0.442 nan 8.290 nan 0.000 0.509 360 P HA 0.164 nan 4.420 nan 0.000 0.271 360 P C -2.616 174.180 177.300 -0.840 0.000 1.233 360 P CA -0.987 61.294 63.100 -1.365 0.000 0.789 360 P CB -0.294 30.947 31.700 -0.766 0.000 0.951 361 P HA 0.038 nan 4.420 nan 0.000 0.264 361 P C -0.129 176.979 177.300 -0.320 0.000 1.183 361 P CA 0.734 63.484 63.100 -0.584 0.000 0.763 361 P CB 0.119 31.347 31.700 -0.786 0.000 0.807 362 N N 1.314 119.893 118.700 -0.201 0.000 2.927 362 N HA 0.217 4.965 4.740 0.013 0.000 0.248 362 N C -1.587 173.875 175.510 -0.080 0.000 1.443 362 N CA -0.835 52.143 53.050 -0.120 0.000 0.870 362 N CB 1.212 39.627 38.487 -0.120 0.000 1.444 362 N HN 0.111 nan 8.380 nan 0.000 0.519 363 N N 0.595 119.261 118.700 -0.057 0.000 2.696 363 N HA 0.195 4.943 4.740 0.013 0.000 0.246 363 N C -1.026 174.463 175.510 -0.036 0.000 1.057 363 N CA -0.313 52.712 53.050 -0.041 0.000 0.867 363 N CB 0.105 38.573 38.487 -0.032 0.000 1.141 363 N HN 0.656 nan 8.380 nan 0.000 0.517 364 N N 3.216 121.896 118.700 -0.032 0.000 2.663 364 N HA -0.196 4.552 4.740 0.013 0.000 0.263 364 N C 0.655 176.144 175.510 -0.035 0.000 1.109 364 N CA 1.282 54.316 53.050 -0.026 0.000 0.701 364 N CB -1.203 37.272 38.487 -0.021 0.000 0.879 364 N HN 0.927 nan 8.380 nan 0.000 0.550 365 G N -0.616 108.159 108.800 -0.042 0.000 2.205 365 G HA2 -0.332 3.636 3.960 0.013 0.000 0.269 365 G HA3 -0.332 3.636 3.960 0.013 0.000 0.269 365 G C 0.195 175.057 174.900 -0.063 0.000 0.977 365 G CA 0.762 45.830 45.100 -0.053 0.000 0.652 365 G HN 0.871 nan 8.290 nan 0.000 0.539 366 V N 2.686 122.566 119.914 -0.058 0.000 2.348 366 V HA 0.388 4.516 4.120 0.013 0.000 0.270 366 V C 1.187 177.242 176.094 -0.064 0.000 1.037 366 V CA -0.861 61.403 62.300 -0.060 0.000 0.872 366 V CB 1.152 32.946 31.823 -0.047 0.000 1.002 366 V HN 0.349 nan 8.190 nan 0.000 0.464 367 I N 5.268 125.794 120.570 -0.073 0.000 2.906 367 I HA -0.059 4.120 4.170 0.013 0.000 0.301 367 I C 0.907 177.023 176.117 -0.003 0.000 1.221 367 I CA 0.517 61.789 61.300 -0.046 0.000 1.435 367 I CB -0.080 37.890 38.000 -0.049 0.000 1.345 367 I HN 0.536 nan 8.210 nan 0.000 0.558 368 K N 6.778 127.214 120.400 0.059 0.000 2.270 368 K HA 0.141 4.469 4.320 0.013 0.000 0.276 368 K C 0.292 176.974 176.600 0.137 0.000 1.023 368 K CA -0.503 55.838 56.287 0.090 0.000 0.955 368 K CB 0.714 33.264 32.500 0.085 0.000 0.975 368 K HN 0.626 nan 8.250 nan 0.000 0.471 369 E N 1.072 121.267 120.200 -0.009 0.000 2.409 369 E HA 0.079 4.437 4.350 0.013 0.000 0.257 369 E C -0.591 175.850 176.600 -0.265 0.000 1.150 369 E CA -0.724 55.574 56.400 -0.171 0.000 0.942 369 E CB 0.592 30.213 29.700 -0.131 0.000 0.979 369 E HN 0.085 nan 8.360 nan 0.000 0.447 370 V N 1.843 121.381 119.914 -0.626 0.000 2.607 370 V HA 0.206 4.334 4.120 0.013 0.000 0.289 370 V C 0.037 175.938 176.094 -0.323 0.000 1.053 370 V CA -0.289 61.529 62.300 -0.804 0.000 0.996 370 V CB 1.521 32.550 31.823 -1.324 0.000 0.995 370 V HN 0.775 nan 8.190 nan 0.000 0.476 371 T N 5.557 120.015 114.554 -0.160 0.000 2.833 371 T HA 0.478 4.837 4.350 0.013 0.000 0.297 371 T C -0.421 174.256 174.700 -0.038 0.000 1.015 371 T CA -0.273 61.788 62.100 -0.065 0.000 0.963 371 T CB 0.643 69.508 68.868 -0.005 0.000 0.955 371 T HN 0.253 nan 8.240 nan 0.000 0.449 372 I N 4.221 124.771 120.570 -0.034 0.000 2.441 372 I HA 0.234 4.412 4.170 0.013 0.000 0.287 372 I C 0.892 177.014 176.117 0.008 0.000 1.049 372 I CA -0.537 60.759 61.300 -0.007 0.000 1.381 372 I CB 0.266 38.270 38.000 0.006 0.000 1.409 372 I HN 0.538 nan 8.210 nan 0.000 0.523 373 N N 3.673 122.385 118.700 0.019 0.000 2.472 373 N HA 0.410 5.158 4.740 0.013 0.000 0.289 373 N C 0.907 176.433 175.510 0.027 0.000 1.156 373 N CA -0.294 52.770 53.050 0.023 0.000 0.940 373 N CB 1.728 40.232 38.487 0.029 0.000 1.200 373 N HN 0.682 nan 8.380 nan 0.000 0.511 374 A N 1.507 124.341 122.820 0.024 0.000 1.894 374 A HA -0.265 4.063 4.320 0.013 0.000 0.220 374 A C 1.359 178.961 177.584 0.031 0.000 1.237 374 A CA 2.288 54.339 52.037 0.025 0.000 0.660 374 A CB -0.796 18.216 19.000 0.020 0.000 0.835 374 A HN 0.910 nan 8.150 nan 0.000 0.461 375 D N -2.707 117.711 120.400 0.031 0.000 2.358 375 D HA 0.013 4.661 4.640 0.013 0.000 0.241 375 D C 0.632 176.962 176.300 0.050 0.000 1.094 375 D CA 1.220 55.242 54.000 0.036 0.000 0.907 375 D CB -0.330 40.488 40.800 0.029 0.000 0.893 375 D HN 0.395 nan 8.370 nan 0.000 0.528 376 T N -1.563 113.022 114.554 0.052 0.000 7.177 376 T HA -0.165 4.194 4.350 0.013 0.000 0.291 376 T C 0.671 175.399 174.700 0.047 0.000 2.134 376 T CA 1.397 63.534 62.100 0.062 0.000 3.572 376 T CB -1.437 67.487 68.868 0.094 0.000 1.288 376 T HN 0.433 nan 8.240 nan 0.000 0.869 377 T N 1.386 115.977 114.554 0.063 0.000 2.729 377 T HA 0.492 4.850 4.350 0.013 0.000 0.298 377 T C 0.782 175.513 174.700 0.051 0.000 1.013 377 T CA -0.208 61.940 62.100 0.080 0.000 0.957 377 T CB 0.549 69.487 68.868 0.117 0.000 1.130 377 T HN 0.558 nan 8.240 nan 0.000 0.526 378 c N 0.247 118.890 118.600 0.072 0.000 2.454 378 c HA 0.843 5.421 4.570 0.013 0.000 0.336 378 c C 1.170 175.318 174.090 0.096 0.000 1.189 378 c CA -0.733 55.641 56.329 0.074 0.000 1.877 378 c CB 0.846 43.420 42.510 0.108 0.000 2.348 378 c HN 1.054 nan 8.230 nan 0.000 0.508 379 G N 0.333 109.189 108.800 0.094 0.000 2.753 379 G HA2 0.494 4.463 3.960 0.013 0.000 0.285 379 G HA3 0.494 4.463 3.960 0.013 0.000 0.285 379 G C -0.021 174.971 174.900 0.154 0.000 1.344 379 G CA -0.174 44.978 45.100 0.087 0.000 1.050 379 G HN 0.766 nan 8.290 nan 0.000 0.532 380 N N 0.113 118.858 118.700 0.075 0.000 2.741 380 N HA -0.148 4.600 4.740 0.013 0.000 0.251 380 N C 0.034 175.414 175.510 -0.217 0.000 1.112 380 N CA 1.282 54.348 53.050 0.028 0.000 0.750 380 N CB -0.693 37.916 38.487 0.203 0.000 1.119 380 N HN 0.740 nan 8.380 nan 0.000 0.561 381 D N -3.766 116.536 120.400 -0.163 0.000 3.090 381 D HA -0.231 4.417 4.640 0.013 0.000 0.215 381 D C -0.699 175.408 176.300 -0.321 0.000 1.140 381 D CA 1.011 54.863 54.000 -0.247 0.000 0.937 381 D CB -1.430 39.196 40.800 -0.290 0.000 1.108 381 D HN 0.486 nan 8.370 nan 0.000 0.420 382 W N 0.847 122.119 121.300 -0.047 0.000 2.342 382 W HA 0.359 5.027 4.660 0.013 0.000 0.310 382 W C 1.723 178.210 176.519 -0.052 0.000 1.128 382 W CA -0.914 56.417 57.345 -0.024 0.000 1.322 382 W CB 0.644 30.037 29.460 -0.111 0.000 1.251 382 W HN -0.259 nan 8.180 nan 0.000 0.439 383 V N 2.259 122.176 119.914 0.005 0.000 2.392 383 V HA -0.314 3.814 4.120 0.013 0.000 0.249 383 V C 1.346 177.364 176.094 -0.128 0.000 1.059 383 V CA 0.612 62.784 62.300 -0.213 0.000 1.051 383 V CB -1.156 30.206 31.823 -0.767 0.000 0.658 383 V HN 0.830 nan 8.190 nan 0.000 0.455 384 c N 1.242 119.846 118.600 0.007 0.000 3.349 384 c HA -0.160 4.418 4.570 0.013 0.000 0.275 384 c C 1.642 175.407 174.090 -0.543 0.000 1.322 384 c CA 0.629 56.904 56.329 -0.091 0.000 2.261 384 c CB -2.378 40.088 42.510 -0.073 0.000 1.446 384 c HN 0.689 nan 8.230 nan 0.000 0.533 385 E N 0.282 120.088 120.200 -0.657 0.000 2.204 385 E HA -0.139 4.219 4.350 0.013 0.000 0.194 385 E C 1.957 178.259 176.600 -0.498 0.000 0.989 385 E CA 1.432 57.125 56.400 -1.178 0.000 0.824 385 E CB -0.153 29.072 29.700 -0.792 0.000 0.756 385 E HN 0.968 nan 8.360 nan 0.000 0.477 386 H N 0.021 118.951 119.070 -0.233 0.000 2.545 386 H HA 0.096 4.660 4.556 0.013 0.000 0.282 386 H C 1.175 176.562 175.328 0.099 0.000 1.020 386 H CA 0.810 56.872 56.048 0.022 0.000 1.243 386 H CB 0.017 29.743 29.762 -0.061 0.000 1.377 386 H HN 0.106 nan 8.280 nan 0.000 0.581 387 R N -0.610 119.575 120.500 -0.524 0.000 2.290 387 R HA 0.045 4.393 4.340 0.013 0.000 0.197 387 R C -0.157 176.262 176.300 0.198 0.000 0.913 387 R CA -0.401 55.529 56.100 -0.282 0.000 1.040 387 R CB 0.242 30.208 30.300 -0.558 0.000 0.992 387 R HN 0.113 nan 8.270 nan 0.000 0.500 388 W N 2.293 123.618 121.300 0.042 0.000 2.251 388 W HA 0.147 4.815 4.660 0.013 0.000 0.327 388 W C 1.594 178.199 176.519 0.143 0.000 1.361 388 W CA -1.118 56.282 57.345 0.092 0.000 1.234 388 W CB 0.003 29.531 29.460 0.113 0.000 1.212 388 W HN 0.051 nan 8.180 nan 0.000 0.557 389 R N 1.739 122.438 120.500 0.332 0.000 2.113 389 R HA -0.271 4.077 4.340 0.013 0.000 0.244 389 R C 1.411 177.860 176.300 0.250 0.000 1.142 389 R CA 2.448 58.697 56.100 0.247 0.000 0.953 389 R CB 0.072 30.463 30.300 0.151 0.000 0.860 389 R HN 0.469 nan 8.270 nan 0.000 0.438 390 E N 0.150 120.498 120.200 0.246 0.000 2.153 390 E HA -0.153 4.205 4.350 0.013 0.000 0.194 390 E C 1.887 178.658 176.600 0.285 0.000 0.988 390 E CA 1.433 57.974 56.400 0.235 0.000 0.811 390 E CB -0.046 29.808 29.700 0.257 0.000 0.746 390 E HN 0.438 nan 8.360 nan 0.000 0.466 391 I N 0.087 120.858 120.570 0.335 0.000 2.339 391 I HA -0.099 4.079 4.170 0.013 0.000 0.245 391 I C 2.467 178.747 176.117 0.272 0.000 1.096 391 I CA 0.756 62.225 61.300 0.282 0.000 1.408 391 I CB -0.869 37.303 38.000 0.288 0.000 1.092 391 I HN 0.092 nan 8.210 nan 0.000 0.423 392 R N 1.843 122.548 120.500 0.341 0.000 2.122 392 R HA -0.239 4.109 4.340 0.013 0.000 0.236 392 R C 1.979 178.444 176.300 0.274 0.000 1.129 392 R CA 2.524 58.843 56.100 0.365 0.000 0.925 392 R CB -0.334 30.206 30.300 0.401 0.000 0.850 392 R HN 0.345 nan 8.270 nan 0.000 0.431 393 N N -0.228 118.655 118.700 0.305 0.000 2.289 393 N HA -0.107 4.641 4.740 0.013 0.000 0.184 393 N C 1.504 177.249 175.510 0.393 0.000 1.016 393 N CA 1.146 54.451 53.050 0.426 0.000 0.872 393 N CB -0.068 38.660 38.487 0.402 0.000 0.973 393 N HN 0.261 nan 8.380 nan 0.000 0.433 394 M N -0.455 119.295 119.600 0.250 0.000 2.447 394 M HA 0.083 4.571 4.480 0.013 0.000 0.264 394 M C 1.606 177.986 176.300 0.134 0.000 1.095 394 M CA 0.413 55.816 55.300 0.171 0.000 1.125 394 M CB -0.350 32.301 32.600 0.085 0.000 1.389 394 M HN -0.062 nan 8.290 nan 0.000 0.459 395 V N -1.250 118.708 119.914 0.073 0.000 2.453 395 V HA -0.225 3.903 4.120 0.013 0.000 0.247 395 V C 1.965 178.047 176.094 -0.020 0.000 1.048 395 V CA 1.497 63.740 62.300 -0.094 0.000 1.049 395 V CB -0.582 30.985 31.823 -0.426 0.000 0.672 395 V HN 0.625 nan 8.190 nan 0.000 0.457 396 W N -0.022 121.197 121.300 -0.134 0.000 2.518 396 W HA -0.100 4.569 4.660 0.015 0.000 0.273 396 W C 2.092 178.533 176.519 -0.129 0.000 1.247 396 W CA 0.670 57.948 57.345 -0.112 0.000 1.288 396 W CB -0.398 29.035 29.460 -0.045 0.000 1.107 396 W HN 0.342 nan 8.180 nan 0.000 0.586 397 F N 1.796 121.555 119.950 -0.319 0.000 2.113 397 F HA -0.082 4.453 4.527 0.012 0.000 0.297 397 F C 2.637 178.161 175.800 -0.460 0.000 1.103 397 F CA 2.504 60.128 58.000 -0.626 0.000 1.248 397 F CB -0.836 37.968 39.000 -0.327 0.000 0.999 397 F HN -0.148 nan 8.300 nan 0.000 0.475 398 R N 0.282 120.844 120.500 0.103 0.000 2.193 398 R HA -0.156 4.192 4.340 0.013 0.000 0.229 398 R C 1.690 177.906 176.300 -0.141 0.000 1.110 398 R CA 1.464 57.581 56.100 0.029 0.000 0.988 398 R CB -0.372 29.943 30.300 0.024 0.000 0.871 398 R HN 0.294 nan 8.270 nan 0.000 0.458 399 N N -0.088 118.498 118.700 -0.188 0.000 2.207 399 N HA -0.093 4.655 4.740 0.013 0.000 0.182 399 N C 1.687 177.056 175.510 -0.235 0.000 1.020 399 N CA 1.137 54.094 53.050 -0.154 0.000 0.858 399 N CB -0.175 38.283 38.487 -0.047 0.000 0.991 399 N HN 0.003 nan 8.380 nan 0.000 0.427 400 V N 0.828 120.469 119.914 -0.455 0.000 2.427 400 V HA -0.109 4.019 4.120 0.013 0.000 0.248 400 V C 1.895 177.757 176.094 -0.387 0.000 1.051 400 V CA 1.116 63.130 62.300 -0.476 0.000 1.048 400 V CB -0.319 31.022 31.823 -0.804 0.000 0.666 400 V HN 0.104 nan 8.190 nan 0.000 0.456 401 V N -0.733 118.909 119.914 -0.453 0.000 3.623 401 V HA 0.102 4.231 4.120 0.013 0.000 0.271 401 V C 0.794 176.794 176.094 -0.156 0.000 1.248 401 V CA -0.036 62.077 62.300 -0.312 0.000 1.156 401 V CB -0.745 30.858 31.823 -0.365 0.000 0.870 401 V HN 0.501 nan 8.190 nan 0.000 0.453 402 D N 2.118 122.434 120.400 -0.140 0.000 2.660 402 D HA 0.265 4.913 4.640 0.013 0.000 0.253 402 D C 1.352 177.626 176.300 -0.043 0.000 1.256 402 D CA 1.773 55.729 54.000 -0.072 0.000 0.914 402 D CB -0.192 40.572 40.800 -0.061 0.000 1.137 402 D HN 0.447 nan 8.370 nan 0.000 0.542 403 G N 3.243 112.032 108.800 -0.019 0.000 2.238 403 G HA2 -0.221 3.747 3.960 0.013 0.000 0.217 403 G HA3 -0.221 3.747 3.960 0.013 0.000 0.217 403 G C 0.224 175.128 174.900 0.008 0.000 0.996 403 G CA -0.233 44.866 45.100 -0.003 0.000 0.632 403 G HN 0.549 nan 8.290 nan 0.000 0.503 404 Q N 1.602 121.403 119.800 0.001 0.000 2.340 404 Q HA 0.431 4.779 4.340 0.013 0.000 0.249 404 Q C -2.082 173.955 176.000 0.061 0.000 0.957 404 Q CA -1.359 54.455 55.803 0.019 0.000 0.882 404 Q CB 1.278 30.013 28.738 -0.004 0.000 1.235 404 Q HN 0.407 nan 8.270 nan 0.000 0.439 405 P HA 0.107 nan 4.420 nan 0.000 0.277 405 P C -0.583 176.831 177.300 0.190 0.000 1.240 405 P CA -0.463 62.715 63.100 0.130 0.000 0.798 405 P CB 0.452 32.220 31.700 0.113 0.000 0.979 406 F N 1.953 121.953 119.950 0.084 0.000 2.538 406 F HA 0.401 4.934 4.527 0.010 0.000 0.371 406 F C -0.283 175.633 175.800 0.192 0.000 1.087 406 F CA 0.484 58.570 58.000 0.143 0.000 1.250 406 F CB 0.093 39.114 39.000 0.034 0.000 1.110 406 F HN 0.591 nan 8.300 nan 0.000 0.570 407 A N 4.257 126.915 122.820 -0.270 0.000 2.597 407 A HA 0.448 4.776 4.320 0.013 0.000 0.292 407 A C -0.286 177.268 177.584 -0.050 0.000 1.057 407 A CA -0.474 51.498 52.037 -0.107 0.000 0.674 407 A CB 0.633 19.658 19.000 0.040 0.000 1.278 407 A HN 0.949 nan 8.150 nan 0.000 0.416 408 N N -0.205 118.540 118.700 0.076 0.000 2.783 408 N HA -0.138 4.610 4.740 0.013 0.000 0.247 408 N C -0.210 175.475 175.510 0.292 0.000 1.089 408 N CA 1.084 54.243 53.050 0.182 0.000 0.690 408 N CB -0.845 37.746 38.487 0.173 0.000 0.991 408 N HN 0.823 nan 8.380 nan 0.000 0.552 409 W N 1.013 122.373 121.300 0.099 0.000 2.158 409 W HA 0.329 4.997 4.660 0.013 0.000 0.339 409 W C -0.090 176.636 176.519 0.344 0.000 1.294 409 W CA 0.047 57.525 57.345 0.221 0.000 1.231 409 W CB 0.350 29.959 29.460 0.248 0.000 1.143 409 W HN 0.312 nan 8.180 nan 0.000 0.571 410 W N 7.055 127.975 121.300 -0.632 0.000 3.118 410 W HA 0.403 5.070 4.660 0.012 0.000 0.328 410 W C -1.845 174.281 176.519 -0.655 0.000 1.239 410 W CA -0.674 56.450 57.345 -0.369 0.000 1.176 410 W CB 1.150 30.537 29.460 -0.122 0.000 1.433 410 W HN 0.475 nan 8.180 nan 0.000 0.562 411 D N 1.835 121.300 120.400 -1.559 0.000 2.747 411 D HA 0.117 4.765 4.640 0.013 0.000 0.218 411 D C -0.335 175.191 176.300 -1.291 0.000 1.230 411 D CA -0.599 52.551 54.000 -1.417 0.000 0.774 411 D CB 0.700 41.273 40.800 -0.377 0.000 1.667 411 D HN 0.345 nan 8.370 nan 0.000 0.499 412 N N 1.840 119.926 118.700 -1.025 0.000 2.515 412 N HA 0.139 4.887 4.740 0.013 0.000 0.191 412 N C 1.524 176.950 175.510 -0.141 0.000 1.182 412 N CA 0.644 53.469 53.050 -0.375 0.000 0.879 412 N CB -0.125 38.352 38.487 -0.018 0.000 0.984 412 N HN 1.196 nan 8.380 nan 0.000 0.453 413 G N -1.997 106.713 108.800 -0.149 0.000 2.162 413 G HA2 -0.315 3.653 3.960 0.013 0.000 0.260 413 G HA3 -0.315 3.653 3.960 0.013 0.000 0.260 413 G C 0.435 175.337 174.900 0.002 0.000 0.976 413 G CA 0.670 45.758 45.100 -0.021 0.000 0.655 413 G HN 0.619 nan 8.290 nan 0.000 0.533 414 S N -1.151 114.536 115.700 -0.022 0.000 3.465 414 S HA 0.421 4.899 4.470 0.013 0.000 0.179 414 S C 0.940 175.469 174.600 -0.118 0.000 0.922 414 S CA 0.519 58.709 58.200 -0.015 0.000 1.168 414 S CB 0.378 63.664 63.200 0.144 0.000 1.229 414 S HN 0.243 nan 8.310 nan 0.000 0.867 415 N N 1.334 119.962 118.700 -0.120 0.000 2.365 415 N HA 0.304 5.052 4.740 0.013 0.000 0.257 415 N C -1.331 174.100 175.510 -0.132 0.000 1.287 415 N CA 0.115 53.058 53.050 -0.178 0.000 0.882 415 N CB 1.157 39.507 38.487 -0.228 0.000 1.250 415 N HN 0.427 nan 8.380 nan 0.000 0.507 416 Q N 1.277 121.028 119.800 -0.081 0.000 2.325 416 Q HA 0.520 4.868 4.340 0.013 0.000 0.270 416 Q C -0.767 175.212 176.000 -0.035 0.000 1.020 416 Q CA -0.678 55.145 55.803 0.033 0.000 0.785 416 Q CB 2.942 31.783 28.738 0.172 0.000 1.259 416 Q HN 0.076 nan 8.270 nan 0.000 0.452 417 V N -1.225 118.744 119.914 0.092 0.000 3.147 417 V HA 1.045 5.173 4.120 0.013 0.000 0.306 417 V C -1.725 174.445 176.094 0.127 0.000 1.209 417 V CA -0.700 61.552 62.300 -0.080 0.000 1.023 417 V CB 1.934 33.492 31.823 -0.442 0.000 1.059 417 V HN 0.813 nan 8.190 nan 0.000 0.435 418 A N 2.612 125.416 122.820 -0.028 0.000 2.587 418 A HA 1.095 5.423 4.320 0.013 0.000 0.293 418 A C -1.152 176.344 177.584 -0.146 0.000 1.087 418 A CA -0.203 51.704 52.037 -0.217 0.000 0.692 418 A CB 1.943 20.678 19.000 -0.441 0.000 1.291 418 A HN 2.514 nan 8.150 nan 0.000 0.407 419 F N -1.468 118.159 119.950 -0.538 0.000 2.725 419 F HA 0.708 5.243 4.527 0.013 0.000 0.311 419 F C -0.193 175.449 175.800 -0.264 0.000 1.121 419 F CA -0.153 57.709 58.000 -0.230 0.000 0.978 419 F CB 0.464 39.449 39.000 -0.025 0.000 1.274 419 F HN 1.148 nan 8.300 nan 0.000 0.440 420 G N 1.248 110.029 108.800 -0.031 0.000 2.932 420 G HA2 0.772 4.740 3.960 0.013 0.000 0.283 420 G HA3 0.772 4.740 3.960 0.013 0.000 0.283 420 G C -1.516 173.414 174.900 0.050 0.000 1.336 420 G CA -1.424 43.692 45.100 0.027 0.000 1.056 420 G HN 0.703 nan 8.290 nan 0.000 0.522 421 R N 0.066 120.602 120.500 0.061 0.000 2.521 421 R HA 0.495 4.843 4.340 0.013 0.000 0.295 421 R C 0.473 176.791 176.300 0.029 0.000 1.183 421 R CA 0.173 56.321 56.100 0.080 0.000 0.957 421 R CB 0.980 31.338 30.300 0.098 0.000 1.171 421 R HN 1.359 nan 8.270 nan 0.000 0.494 422 G N 3.314 112.138 108.800 0.038 0.000 2.575 422 G HA2 -0.413 3.555 3.960 0.013 0.000 0.267 422 G HA3 -0.413 3.555 3.960 0.013 0.000 0.267 422 G C 0.088 174.987 174.900 -0.001 0.000 1.264 422 G CA 0.360 45.470 45.100 0.017 0.000 0.935 422 G HN 0.863 nan 8.290 nan 0.000 0.568 423 N N -0.250 118.442 118.700 -0.014 0.000 2.376 423 N HA 0.359 5.107 4.740 0.013 0.000 0.249 423 N C 1.243 176.736 175.510 -0.028 0.000 1.140 423 N CA -0.309 52.728 53.050 -0.022 0.000 0.870 423 N CB 0.353 38.832 38.487 -0.014 0.000 1.124 423 N HN 0.480 nan 8.380 nan 0.000 0.505 424 R N -0.233 120.236 120.500 -0.051 0.000 2.419 424 R HA 0.289 4.637 4.340 0.013 0.000 0.235 424 R C 0.213 176.429 176.300 -0.139 0.000 0.899 424 R CA 0.159 56.208 56.100 -0.086 0.000 1.048 424 R CB 1.471 31.694 30.300 -0.128 0.000 1.182 424 R HN 0.280 nan 8.270 nan 0.000 0.544 425 G N 0.852 109.585 108.800 -0.111 0.000 2.702 425 G HA2 0.481 4.449 3.960 0.013 0.000 0.296 425 G HA3 0.481 4.449 3.960 0.013 0.000 0.296 425 G C -2.137 172.846 174.900 0.138 0.000 1.463 425 G CA -0.433 44.611 45.100 -0.094 0.000 0.890 425 G HN -0.010 nan 8.290 nan 0.000 0.534 426 F N 1.091 121.039 119.950 -0.003 0.000 2.581 426 F HA 0.818 5.352 4.527 0.012 0.000 0.311 426 F C -0.959 174.716 175.800 -0.208 0.000 1.113 426 F CA -1.273 56.632 58.000 -0.159 0.000 0.935 426 F CB 2.120 41.006 39.000 -0.191 0.000 1.232 426 F HN 0.478 nan 8.300 nan 0.000 0.445 427 I N 5.892 125.836 120.570 -1.043 0.000 2.569 427 I HA 0.693 4.871 4.170 0.013 0.000 0.290 427 I C -1.737 173.721 176.117 -1.099 0.000 1.088 427 I CA -0.648 60.093 61.300 -0.932 0.000 1.047 427 I CB 1.721 39.243 38.000 -0.795 0.000 1.237 427 I HN 0.357 nan 8.210 nan 0.000 0.421 428 V N 7.041 126.396 119.914 -0.933 0.000 2.680 428 V HA 0.573 4.701 4.120 0.013 0.000 0.309 428 V C -0.955 174.765 176.094 -0.622 0.000 1.052 428 V CA -0.595 61.288 62.300 -0.696 0.000 0.908 428 V CB 1.875 33.277 31.823 -0.702 0.000 1.001 428 V HN 0.491 nan 8.190 nan 0.000 0.431 429 F N 1.863 121.778 119.950 -0.058 0.000 2.565 429 F HA 0.560 5.095 4.527 0.012 0.000 0.313 429 F C 0.019 175.820 175.800 0.001 0.000 1.091 429 F CA -0.671 57.331 58.000 0.002 0.000 0.915 429 F CB 2.078 41.045 39.000 -0.055 0.000 1.208 429 F HN 0.477 nan 8.300 nan 0.000 0.453 430 N N 1.669 120.475 118.700 0.178 0.000 2.682 430 N HA 0.176 4.924 4.740 0.013 0.000 0.252 430 N C -0.692 174.813 175.510 -0.008 0.000 1.081 430 N CA -0.208 52.881 53.050 0.065 0.000 0.844 430 N CB 0.338 38.851 38.487 0.043 0.000 1.167 430 N HN 0.540 nan 8.380 nan 0.000 0.523 431 N N 1.543 120.199 118.700 -0.073 0.000 2.251 431 N HA 0.120 4.868 4.740 0.013 0.000 0.217 431 N C -0.787 174.571 175.510 -0.255 0.000 1.124 431 N CA -0.064 52.899 53.050 -0.145 0.000 0.843 431 N CB 0.279 38.660 38.487 -0.178 0.000 1.024 431 N HN 0.495 nan 8.380 nan 0.000 0.501 432 D N -0.561 119.619 120.400 -0.366 0.000 2.432 432 D HA 0.127 4.775 4.640 0.013 0.000 0.258 432 D C -0.141 175.702 176.300 -0.761 0.000 1.146 432 D CA -0.156 53.407 54.000 -0.728 0.000 1.015 432 D CB 0.931 41.086 40.800 -1.075 0.000 1.107 432 D HN 0.074 nan 8.370 nan 0.000 0.529 433 D N 0.141 119.899 120.400 -1.070 0.000 2.336 433 D HA 0.134 4.782 4.640 0.013 0.000 0.228 433 D C -0.098 176.130 176.300 -0.120 0.000 1.120 433 D CA -0.031 53.698 54.000 -0.452 0.000 0.839 433 D CB 0.028 40.720 40.800 -0.180 0.000 0.932 433 D HN 0.319 nan 8.370 nan 0.000 0.509 434 W N 0.393 121.713 121.300 0.034 0.000 2.967 434 W HA 0.428 5.096 4.660 0.012 0.000 0.342 434 W C 0.288 176.836 176.519 0.048 0.000 1.162 434 W CA -1.255 56.113 57.345 0.038 0.000 1.085 434 W CB -0.060 29.424 29.460 0.040 0.000 1.460 434 W HN -0.359 nan 8.180 nan 0.000 0.584 435 Q N 1.729 121.703 119.800 0.291 0.000 2.382 435 Q HA 0.392 4.740 4.340 0.013 0.000 0.229 435 Q C -1.462 174.675 176.000 0.228 0.000 1.006 435 Q CA -0.365 55.546 55.803 0.180 0.000 0.916 435 Q CB 1.800 30.624 28.738 0.144 0.000 1.235 435 Q HN 0.839 nan 8.270 nan 0.000 0.512 436 L N 1.715 123.034 121.223 0.160 0.000 2.346 436 L HA 0.581 4.929 4.340 0.013 0.000 0.276 436 L C -1.394 175.558 176.870 0.137 0.000 1.006 436 L CA -0.064 54.886 54.840 0.183 0.000 0.817 436 L CB 2.011 44.159 42.059 0.149 0.000 1.272 436 L HN 0.921 nan 8.230 nan 0.000 0.421 437 S N 2.596 118.375 115.700 0.132 0.000 2.561 437 S HA 0.765 5.243 4.470 0.013 0.000 0.292 437 S C -1.083 173.555 174.600 0.063 0.000 1.107 437 S CA 0.006 58.258 58.200 0.087 0.000 0.969 437 S CB 0.727 63.976 63.200 0.081 0.000 1.150 437 S HN 1.268 nan 8.310 nan 0.000 0.451 438 S N 1.300 117.013 115.700 0.021 0.000 2.688 438 S HA 0.578 5.056 4.470 0.013 0.000 0.269 438 S C -0.974 173.604 174.600 -0.036 0.000 1.060 438 S CA -0.919 57.273 58.200 -0.013 0.000 0.844 438 S CB 0.893 64.072 63.200 -0.035 0.000 1.095 438 S HN 0.837 nan 8.310 nan 0.000 0.466 439 T N 2.211 116.738 114.554 -0.046 0.000 2.743 439 T HA 0.566 4.924 4.350 0.013 0.000 0.293 439 T C -0.479 174.173 174.700 -0.081 0.000 0.945 439 T CA -0.365 61.708 62.100 -0.045 0.000 1.030 439 T CB -0.091 68.752 68.868 -0.043 0.000 0.912 439 T HN 0.458 nan 8.240 nan 0.000 0.483 440 L N 3.024 124.234 121.223 -0.023 0.000 2.342 440 L HA 0.480 4.828 4.340 0.013 0.000 0.271 440 L C 0.135 176.936 176.870 -0.115 0.000 1.008 440 L CA -1.171 53.607 54.840 -0.103 0.000 0.818 440 L CB 2.012 43.994 42.059 -0.129 0.000 1.296 440 L HN 0.472 nan 8.230 nan 0.000 0.427 441 Q N 0.983 120.699 119.800 -0.140 0.000 2.344 441 Q HA 0.135 4.483 4.340 0.013 0.000 0.253 441 Q C 0.294 176.031 176.000 -0.439 0.000 1.050 441 Q CA 0.288 55.981 55.803 -0.183 0.000 0.912 441 Q CB 1.154 29.851 28.738 -0.069 0.000 1.258 441 Q HN 0.654 nan 8.270 nan 0.000 0.443 442 T N 2.526 116.710 114.554 -0.617 0.000 2.770 442 T HA 0.142 4.500 4.350 0.013 0.000 0.258 442 T C 1.075 175.433 174.700 -0.569 0.000 1.039 442 T CA 1.008 62.453 62.100 -1.092 0.000 1.143 442 T CB -0.298 68.119 68.868 -0.752 0.000 0.866 442 T HN 0.904 nan 8.240 nan 0.000 0.428 443 G N 0.728 109.345 108.800 -0.305 0.000 2.176 443 G HA2 -0.185 3.783 3.960 0.013 0.000 0.232 443 G HA3 -0.185 3.783 3.960 0.013 0.000 0.232 443 G C 0.001 174.825 174.900 -0.127 0.000 0.986 443 G CA -0.239 44.767 45.100 -0.157 0.000 0.643 443 G HN 0.482 nan 8.290 nan 0.000 0.522 444 L N 1.399 122.512 121.223 -0.182 0.000 2.309 444 L HA 0.478 4.826 4.340 0.013 0.000 0.282 444 L C -1.804 175.044 176.870 -0.036 0.000 1.036 444 L CA -2.348 52.418 54.840 -0.124 0.000 0.806 444 L CB 1.385 43.269 42.059 -0.291 0.000 1.220 444 L HN -0.159 nan 8.230 nan 0.000 0.429 445 P HA -0.050 nan 4.420 nan 0.000 0.263 445 P C 0.108 177.483 177.300 0.125 0.000 1.175 445 P CA -0.021 63.120 63.100 0.068 0.000 0.761 445 P CB 0.327 32.070 31.700 0.072 0.000 0.794 446 G N 1.938 110.779 108.800 0.067 0.000 2.474 446 G HA2 0.403 4.371 3.960 0.013 0.000 0.233 446 G HA3 0.403 4.371 3.960 0.013 0.000 0.233 446 G C 0.407 175.380 174.900 0.121 0.000 1.278 446 G CA 0.555 45.704 45.100 0.081 0.000 0.861 446 G HN 0.816 nan 8.290 nan 0.000 0.567 447 G N -0.556 108.335 108.800 0.153 0.000 2.351 447 G HA2 0.469 4.437 3.960 0.013 0.000 0.279 447 G HA3 0.469 4.437 3.960 0.013 0.000 0.279 447 G C -0.839 174.103 174.900 0.071 0.000 1.297 447 G CA -0.110 45.028 45.100 0.063 0.000 0.886 447 G HN 0.958 nan 8.290 nan 0.000 0.493 448 T N 1.101 115.586 114.554 -0.116 0.000 2.809 448 T HA 0.642 5.000 4.350 0.013 0.000 0.296 448 T C -1.291 173.255 174.700 -0.256 0.000 1.015 448 T CA -0.064 61.916 62.100 -0.200 0.000 0.954 448 T CB 0.819 69.538 68.868 -0.248 0.000 0.950 448 T HN 0.394 nan 8.240 nan 0.000 0.450 449 Y N 0.530 120.677 120.300 -0.255 0.000 2.457 449 Y HA 0.506 5.064 4.550 0.014 0.000 0.333 449 Y C 0.565 176.351 175.900 -0.189 0.000 1.119 449 Y CA -1.398 56.588 58.100 -0.190 0.000 1.143 449 Y CB 0.992 39.366 38.460 -0.143 0.000 1.230 449 Y HN 0.569 nan 8.280 nan 0.000 0.469 450 c N 2.487 121.086 118.600 -0.001 0.000 2.330 450 c HA 0.234 4.812 4.570 0.013 0.000 0.344 450 c C 0.510 174.607 174.090 0.011 0.000 1.273 450 c CA -1.212 55.102 56.329 -0.025 0.000 1.879 450 c CB -0.329 42.164 42.510 -0.028 0.000 2.376 450 c HN 0.829 nan 8.230 nan 0.000 0.534 451 N N 1.537 120.234 118.700 -0.005 0.000 2.470 451 N HA 0.145 4.893 4.740 0.013 0.000 0.268 451 N C 0.847 176.361 175.510 0.006 0.000 1.136 451 N CA -0.264 52.782 53.050 -0.007 0.000 0.961 451 N CB 1.007 39.467 38.487 -0.045 0.000 1.067 451 N HN 0.654 nan 8.380 nan 0.000 0.468 452 V N 2.100 122.042 119.914 0.047 0.000 3.623 452 V HA 0.085 4.213 4.120 0.013 0.000 0.271 452 V C 1.422 177.538 176.094 0.037 0.000 1.248 452 V CA 0.392 62.759 62.300 0.113 0.000 1.156 452 V CB -0.438 31.555 31.823 0.284 0.000 0.870 452 V HN 0.596 nan 8.190 nan 0.000 0.453 453 I N 1.500 122.005 120.570 -0.108 0.000 3.081 453 I HA 0.040 4.218 4.170 0.013 0.000 0.274 453 I C 2.436 178.458 176.117 -0.159 0.000 1.178 453 I CA 1.609 62.774 61.300 -0.224 0.000 1.460 453 I CB 0.215 37.814 38.000 -0.668 0.000 1.137 453 I HN 0.419 nan 8.210 nan 0.000 0.443 454 S N -0.738 114.882 115.700 -0.134 0.000 2.575 454 S HA 0.527 5.005 4.470 0.013 0.000 0.215 454 S C 0.819 175.396 174.600 -0.039 0.000 0.966 454 S CA 0.343 58.491 58.200 -0.087 0.000 0.911 454 S CB -0.131 63.018 63.200 -0.085 0.000 0.780 454 S HN 0.410 nan 8.310 nan 0.000 0.514 455 G N -0.252 108.538 108.800 -0.017 0.000 2.336 455 G HA2 0.346 4.314 3.960 0.013 0.000 0.286 455 G HA3 0.346 4.314 3.960 0.013 0.000 0.286 455 G C -2.419 172.505 174.900 0.040 0.000 1.269 455 G CA -0.632 44.473 45.100 0.010 0.000 0.873 455 G HN 0.218 nan 8.290 nan 0.000 0.494 456 D N -0.237 120.185 120.400 0.038 0.000 2.477 456 D HA 0.400 5.048 4.640 0.013 0.000 0.234 456 D C -0.844 175.476 176.300 0.034 0.000 1.048 456 D CA -0.573 53.461 54.000 0.057 0.000 0.959 456 D CB 2.610 43.433 40.800 0.039 0.000 1.408 456 D HN 0.381 nan 8.370 nan 0.000 0.496 457 K N 1.524 121.953 120.400 0.048 0.000 2.264 457 K HA 0.391 4.719 4.320 0.013 0.000 0.277 457 K C -1.438 175.164 176.600 0.003 0.000 1.067 457 K CA -0.384 55.915 56.287 0.019 0.000 0.900 457 K CB 0.670 33.190 32.500 0.034 0.000 1.124 457 K HN 0.121 nan 8.250 nan 0.000 0.469 458 V N 4.426 124.334 119.914 -0.010 0.000 2.444 458 V HA 0.399 4.527 4.120 0.013 0.000 0.294 458 V C 0.844 176.926 176.094 -0.019 0.000 1.022 458 V CA 0.180 62.470 62.300 -0.017 0.000 0.850 458 V CB 0.742 32.557 31.823 -0.014 0.000 0.992 458 V HN 1.170 nan 8.190 nan 0.000 0.426 459 G N 5.447 114.234 108.800 -0.022 0.000 2.565 459 G HA2 -0.278 3.690 3.960 0.013 0.000 0.295 459 G HA3 -0.278 3.690 3.960 0.013 0.000 0.295 459 G C 0.342 175.226 174.900 -0.026 0.000 1.165 459 G CA 0.575 45.661 45.100 -0.022 0.000 0.977 459 G HN 0.678 nan 8.290 nan 0.000 0.546 460 N N 1.668 120.352 118.700 -0.027 0.000 2.401 460 N HA 0.502 5.250 4.740 0.013 0.000 0.264 460 N C -0.490 174.998 175.510 -0.037 0.000 1.238 460 N CA 0.630 53.658 53.050 -0.035 0.000 0.889 460 N CB 1.134 39.601 38.487 -0.032 0.000 1.196 460 N HN 0.473 nan 8.380 nan 0.000 0.511 461 S N -0.163 115.517 115.700 -0.034 0.000 2.565 461 S HA 0.506 4.984 4.470 0.013 0.000 0.269 461 S C -0.758 173.824 174.600 -0.030 0.000 1.153 461 S CA -0.547 57.633 58.200 -0.033 0.000 0.835 461 S CB 1.461 64.647 63.200 -0.022 0.000 1.122 461 S HN 0.258 nan 8.310 nan 0.000 0.462 462 c N 1.360 119.941 118.600 -0.033 0.000 2.397 462 c HA 0.665 5.243 4.570 0.013 0.000 0.343 462 c C 1.944 176.024 174.090 -0.017 0.000 1.188 462 c CA -0.582 55.732 56.329 -0.025 0.000 1.992 462 c CB 0.570 43.058 42.510 -0.035 0.000 2.358 462 c HN 1.031 nan 8.230 nan 0.000 0.518 463 T N -1.700 112.849 114.554 -0.009 0.000 3.107 463 T HA 0.397 4.755 4.350 0.013 0.000 0.249 463 T C 0.700 175.394 174.700 -0.010 0.000 1.096 463 T CA 0.553 62.649 62.100 -0.006 0.000 1.012 463 T CB -0.038 68.830 68.868 -0.000 0.000 0.977 463 T HN 1.022 nan 8.240 nan 0.000 0.527 464 G N 0.767 109.558 108.800 -0.015 0.000 3.243 464 G HA2 0.654 4.622 3.960 0.013 0.000 0.248 464 G HA3 0.654 4.622 3.960 0.013 0.000 0.248 464 G C -0.869 174.014 174.900 -0.028 0.000 1.267 464 G CA -1.342 43.745 45.100 -0.022 0.000 0.906 464 G HN 0.351 nan 8.290 nan 0.000 0.592 465 I N 0.812 121.361 120.570 -0.035 0.000 2.815 465 I HA 0.117 4.295 4.170 0.013 0.000 0.291 465 I C 0.611 176.690 176.117 -0.063 0.000 1.209 465 I CA 0.732 62.009 61.300 -0.039 0.000 1.431 465 I CB 0.654 38.633 38.000 -0.036 0.000 1.351 465 I HN 0.154 nan 8.210 nan 0.000 0.585 466 K N 4.191 124.535 120.400 -0.094 0.000 2.203 466 K HA 0.733 5.061 4.320 0.013 0.000 0.251 466 K C -1.419 175.003 176.600 -0.297 0.000 0.944 466 K CA -0.739 55.423 56.287 -0.207 0.000 0.829 466 K CB 2.122 34.461 32.500 -0.267 0.000 1.125 466 K HN 0.263 nan 8.250 nan 0.000 0.430 467 V N 3.429 123.118 119.914 -0.374 0.000 2.577 467 V HA 0.272 4.400 4.120 0.013 0.000 0.303 467 V C -1.454 174.377 176.094 -0.438 0.000 1.042 467 V CA -0.929 61.155 62.300 -0.361 0.000 0.872 467 V CB 1.208 32.889 31.823 -0.237 0.000 0.998 467 V HN 0.618 nan 8.190 nan 0.000 0.423 468 Y N 3.533 123.751 120.300 -0.136 0.000 2.477 468 Y HA 0.461 5.019 4.550 0.013 0.000 0.349 468 Y C 0.294 176.106 175.900 -0.146 0.000 0.977 468 Y CA -0.718 57.324 58.100 -0.096 0.000 1.214 468 Y CB 1.176 39.577 38.460 -0.098 0.000 1.124 468 Y HN 0.369 nan 8.280 nan 0.000 0.521 469 V N 3.749 123.674 119.914 0.018 0.000 2.385 469 V HA 0.152 4.280 4.120 0.013 0.000 0.269 469 V C 0.535 176.629 176.094 -0.001 0.000 1.043 469 V CA -0.642 61.624 62.300 -0.056 0.000 0.906 469 V CB 0.986 32.769 31.823 -0.066 0.000 0.995 469 V HN 0.878 nan 8.190 nan 0.000 0.467 470 S N 3.939 119.616 115.700 -0.038 0.000 2.587 470 S HA 0.002 4.480 4.470 0.013 0.000 0.260 470 S C 1.878 176.467 174.600 -0.017 0.000 1.353 470 S CA 0.483 58.670 58.200 -0.022 0.000 0.995 470 S CB 1.002 64.178 63.200 -0.041 0.000 0.912 470 S HN 1.085 nan 8.310 nan 0.000 0.568 471 S N 0.802 116.495 115.700 -0.012 0.000 2.442 471 S HA -0.146 4.332 4.470 0.013 0.000 0.236 471 S C 1.447 176.035 174.600 -0.020 0.000 1.007 471 S CA 1.730 59.924 58.200 -0.009 0.000 0.965 471 S CB -0.778 62.416 63.200 -0.009 0.000 0.773 471 S HN 0.773 nan 8.310 nan 0.000 0.504 472 D N 0.893 121.275 120.400 -0.029 0.000 2.097 472 D HA 0.011 4.660 4.640 0.013 0.000 0.195 472 D C 1.683 177.951 176.300 -0.054 0.000 0.989 472 D CA 1.860 55.838 54.000 -0.037 0.000 0.827 472 D CB -0.459 40.315 40.800 -0.042 0.000 0.966 472 D HN 0.683 nan 8.370 nan 0.000 0.456 473 G N -0.938 107.817 108.800 -0.075 0.000 2.192 473 G HA2 -0.198 3.770 3.960 0.013 0.000 0.193 473 G HA3 -0.198 3.770 3.960 0.013 0.000 0.193 473 G C 0.527 175.328 174.900 -0.164 0.000 0.999 473 G CA 0.458 45.487 45.100 -0.118 0.000 0.659 473 G HN 0.472 nan 8.290 nan 0.000 0.503 474 T N 0.965 115.447 114.554 -0.120 0.000 2.832 474 T HA 0.715 5.073 4.350 0.013 0.000 0.296 474 T C 0.312 174.930 174.700 -0.136 0.000 0.968 474 T CA 1.123 63.153 62.100 -0.118 0.000 1.107 474 T CB 0.857 69.680 68.868 -0.076 0.000 0.916 474 T HN 1.548 nan 8.240 nan 0.000 0.517 475 A N 4.175 126.904 122.820 -0.151 0.000 2.515 475 A HA 0.681 5.009 4.320 0.013 0.000 0.296 475 A C -0.854 176.532 177.584 -0.330 0.000 1.094 475 A CA -0.777 51.080 52.037 -0.301 0.000 0.718 475 A CB 1.691 20.353 19.000 -0.564 0.000 1.307 475 A HN 0.721 nan 8.150 nan 0.000 0.408 476 Q N 0.458 120.015 119.800 -0.406 0.000 2.368 476 Q HA 0.583 4.931 4.340 0.013 0.000 0.256 476 Q C -1.901 173.859 176.000 -0.400 0.000 0.980 476 Q CA 0.026 55.672 55.803 -0.261 0.000 0.887 476 Q CB 0.543 29.196 28.738 -0.142 0.000 1.221 476 Q HN 0.534 nan 8.270 nan 0.000 0.458 477 F N 1.146 121.051 119.950 -0.074 0.000 2.426 477 F HA 0.403 4.938 4.527 0.013 0.000 0.348 477 F C 0.240 176.010 175.800 -0.051 0.000 1.124 477 F CA -0.659 57.302 58.000 -0.065 0.000 1.008 477 F CB 2.119 41.066 39.000 -0.088 0.000 1.139 477 F HN 0.278 nan 8.300 nan 0.000 0.452 478 S N 5.246 121.019 115.700 0.122 0.000 2.707 478 S HA 0.757 5.235 4.470 0.013 0.000 0.312 478 S C -0.869 173.776 174.600 0.074 0.000 1.116 478 S CA -0.369 57.881 58.200 0.083 0.000 1.078 478 S CB 0.094 63.323 63.200 0.049 0.000 0.997 478 S HN 0.508 nan 8.310 nan 0.000 0.477 479 I N 3.164 123.778 120.570 0.074 0.000 2.569 479 I HA 0.479 4.657 4.170 0.013 0.000 0.296 479 I C 0.046 176.196 176.117 0.056 0.000 1.028 479 I CA -0.649 60.683 61.300 0.054 0.000 1.082 479 I CB 2.318 40.346 38.000 0.047 0.000 1.264 479 I HN 0.558 nan 8.210 nan 0.000 0.429 480 S N 3.405 119.130 115.700 0.042 0.000 2.593 480 S HA 0.275 4.753 4.470 0.013 0.000 0.297 480 S C 0.747 175.363 174.600 0.027 0.000 1.112 480 S CA -0.837 57.389 58.200 0.043 0.000 1.043 480 S CB 1.055 64.279 63.200 0.040 0.000 1.054 480 S HN 0.718 nan 8.310 nan 0.000 0.516 481 N N 2.531 121.241 118.700 0.016 0.000 2.575 481 N HA -0.001 4.747 4.740 0.013 0.000 0.192 481 N C 0.612 176.124 175.510 0.003 0.000 1.200 481 N CA 0.218 53.261 53.050 -0.012 0.000 0.897 481 N CB -0.160 38.298 38.487 -0.048 0.000 0.990 481 N HN 0.363 nan 8.380 nan 0.000 0.449 482 S N -0.341 115.369 115.700 0.016 0.000 2.524 482 S HA 0.316 4.794 4.470 0.013 0.000 0.215 482 S C 0.818 175.427 174.600 0.015 0.000 0.986 482 S CA -0.339 57.871 58.200 0.016 0.000 0.911 482 S CB 0.117 63.330 63.200 0.021 0.000 0.805 482 S HN 0.620 nan 8.310 nan 0.000 0.501 483 A N 1.644 124.475 122.820 0.018 0.000 2.603 483 A HA -0.035 4.293 4.320 0.013 0.000 0.235 483 A C 1.245 178.840 177.584 0.018 0.000 1.035 483 A CA 0.199 52.246 52.037 0.016 0.000 0.755 483 A CB 0.049 19.062 19.000 0.022 0.000 0.954 483 A HN 0.448 nan 8.150 nan 0.000 0.511 484 Q N 0.150 119.953 119.800 0.005 0.000 2.226 484 Q HA -0.117 4.231 4.340 0.013 0.000 0.204 484 Q C -0.556 175.461 176.000 0.028 0.000 0.975 484 Q CA 1.377 57.183 55.803 0.004 0.000 0.866 484 Q CB 0.157 28.886 28.738 -0.015 0.000 0.915 484 Q HN 0.809 nan 8.270 nan 0.000 0.440 485 D N -0.005 120.413 120.400 0.030 0.000 2.386 485 D HA 0.136 4.784 4.640 0.013 0.000 0.247 485 D C -2.421 173.949 176.300 0.117 0.000 1.336 485 D CA -1.325 52.736 54.000 0.101 0.000 0.976 485 D CB 1.705 42.478 40.800 -0.044 0.000 1.257 485 D HN 0.068 nan 8.370 nan 0.000 0.570 486 P HA 0.026 nan 4.420 nan 0.000 0.301 486 P C -0.629 176.842 177.300 0.286 0.000 1.560 486 P CA 0.084 63.297 63.100 0.189 0.000 0.784 486 P CB -0.953 30.831 31.700 0.139 0.000 1.715 487 F N -1.955 117.930 119.950 -0.107 0.000 2.650 487 F HA 0.574 5.108 4.527 0.013 0.000 0.310 487 F C -1.679 173.951 175.800 -0.283 0.000 1.112 487 F CA -2.137 55.684 58.000 -0.299 0.000 0.986 487 F CB 0.523 39.200 39.000 -0.538 0.000 1.285 487 F HN -0.329 nan 8.300 nan 0.000 0.440 488 I N 3.213 123.574 120.570 -0.349 0.000 2.404 488 I HA 0.795 4.974 4.170 0.013 0.000 0.293 488 I C -0.313 175.613 176.117 -0.318 0.000 0.992 488 I CA -0.971 60.148 61.300 -0.302 0.000 1.149 488 I CB 1.840 39.804 38.000 -0.059 0.000 1.315 488 I HN 1.004 nan 8.210 nan 0.000 0.446 489 A N 7.058 129.731 122.820 -0.245 0.000 2.374 489 A HA 0.939 5.267 4.320 0.013 0.000 0.317 489 A C -1.031 176.610 177.584 0.095 0.000 1.094 489 A CA -0.461 51.489 52.037 -0.145 0.000 0.765 489 A CB 1.535 20.392 19.000 -0.237 0.000 1.268 489 A HN 0.666 nan 8.150 nan 0.000 0.438 490 I N 0.154 120.886 120.570 0.269 0.000 3.093 490 I HA 0.648 4.826 4.170 0.013 0.000 0.308 490 I C -0.808 175.486 176.117 0.294 0.000 1.303 490 I CA -0.236 61.201 61.300 0.228 0.000 0.975 490 I CB 2.633 40.694 38.000 0.101 0.000 1.286 490 I HN 1.161 nan 8.210 nan 0.000 0.459 491 H N 2.017 121.142 119.070 0.092 0.000 2.876 491 H HA 0.579 5.143 4.556 0.013 0.000 0.284 491 H C 0.088 175.480 175.328 0.107 0.000 1.445 491 H CA -0.276 55.748 56.048 -0.041 0.000 1.141 491 H CB 0.360 29.877 29.762 -0.408 0.000 1.816 491 H HN 0.491 nan 8.280 nan 0.000 0.511 492 A N 0.198 123.103 122.820 0.141 0.000 1.903 492 A HA -0.236 4.092 4.320 0.013 0.000 0.219 492 A C 1.493 179.055 177.584 -0.037 0.000 1.191 492 A CA 2.155 54.234 52.037 0.070 0.000 0.638 492 A CB -0.966 18.045 19.000 0.018 0.000 0.823 492 A HN 0.761 nan 8.150 nan 0.000 0.451 493 E N -0.338 119.844 120.200 -0.030 0.000 2.445 493 E HA 0.031 4.389 4.350 0.013 0.000 0.189 493 E C 1.082 177.626 176.600 -0.095 0.000 1.069 493 E CA 0.524 56.917 56.400 -0.011 0.000 0.871 493 E CB -0.028 29.787 29.700 0.191 0.000 0.991 493 E HN 0.720 nan 8.360 nan 0.000 0.481 494 S N 0.282 115.751 115.700 -0.386 0.000 2.701 494 S HA 0.059 4.537 4.470 0.013 0.000 0.242 494 S C 0.405 174.865 174.600 -0.232 0.000 1.025 494 S CA -0.614 57.429 58.200 -0.262 0.000 1.016 494 S CB 0.071 63.019 63.200 -0.421 0.000 0.977 494 S HN 0.063 nan 8.310 nan 0.000 0.546 495 K N 2.372 122.556 120.400 -0.361 0.000 2.297 495 K HA 0.434 4.762 4.320 0.013 0.000 0.286 495 K C -0.100 176.257 176.600 -0.406 0.000 1.053 495 K CA -0.696 55.170 56.287 -0.702 0.000 0.940 495 K CB 0.540 32.351 32.500 -1.148 0.000 1.019 495 K HN 0.293 nan 8.250 nan 0.000 0.475 496 L N 0.000 121.011 121.223 -0.354 0.000 2.949 496 L HA 0.000 4.348 4.340 0.013 0.000 0.249 496 L CA 0.000 54.713 54.840 -0.212 0.000 0.813 496 L CB 0.000 41.959 42.059 -0.167 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502