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 1cpy_1_A DATA FIRST_RESID 1 DATA SEQUENCE KIKDPKILGI DPNVTQYTGY LDVEDEDKHF FFWTFESRND PAKDPVILWL DATA SEQUENCE NGGPGcSSLT GLFFALGPSS IGPDLKPIGN PYSWNSNATV IFLDQPVNVG DATA SEQUENCE FSYSGSSGVS NTVAAGKDVY NFLELFFDQF PEYVNKGQDF HIAGASYAGH DATA SEQUENCE YIPVFASEIL SHKDRNFNLT SVLIGNGLTD PLTQYNYYEP MAcGEGGEPS DATA SEQUENCE VLPSEEcSAM EDSLERcLGL IEScYDSQSV WScVPATIYc NNAQLAPYQR DATA SEQUENCE TGRNVYDIRK DcEGGNLcYP TLQDIDDYLN QDYVKEAVGA EVDHYEScNF DATA SEQUENCE DINRNFLFAG DWMKPYHTAV TDLLNQDLPI LVYAGDKDFI CNWLGNKAWT DATA SEQUENCE DVLPWKYDEE FASQKVRNWT ASITDEVAGE VKSYKHFTYL RVFNGGHMVP DATA SEQUENCE FDVPENALSM VNEWIHGGFS L 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.734 176.600 0.223 0.000 0.988 1 K CA 0.000 56.409 56.287 0.203 0.000 0.838 1 K CB 0.000 32.582 32.500 0.136 0.000 1.064 2 I N 0.833 121.521 120.570 0.197 0.000 2.472 2 I HA 0.932 5.100 4.170 -0.003 0.000 0.290 2 I C 0.668 176.822 176.117 0.063 0.000 1.016 2 I CA 0.086 61.480 61.300 0.157 0.000 1.348 2 I CB 0.176 38.335 38.000 0.264 0.000 1.417 2 I HN 1.466 nan 8.210 nan 0.000 0.521 3 K N 2.793 123.179 120.400 -0.025 0.000 2.401 3 K HA 0.907 5.225 4.320 -0.003 0.000 0.255 3 K C -0.036 176.500 176.600 -0.107 0.000 1.062 3 K CA 0.173 56.430 56.287 -0.049 0.000 0.999 3 K CB 0.008 32.477 32.500 -0.051 0.000 1.415 3 K HN 2.108 nan 8.250 nan 0.000 0.576 4 D N 0.806 121.136 120.400 -0.116 0.000 2.788 4 D HA 0.524 5.162 4.640 -0.003 0.000 0.247 4 D C -2.074 174.119 176.300 -0.179 0.000 1.236 4 D CA -1.033 52.880 54.000 -0.146 0.000 0.898 4 D CB 1.711 42.477 40.800 -0.056 0.000 1.401 4 D HN 0.297 nan 8.370 nan 0.000 0.549 5 P HA -0.153 nan 4.420 nan 0.000 0.223 5 P C 2.050 179.332 177.300 -0.029 0.000 1.144 5 P CA 1.954 64.896 63.100 -0.263 0.000 0.783 5 P CB -0.049 31.287 31.700 -0.606 0.000 0.771 6 K N 0.760 121.141 120.400 -0.033 0.000 2.037 6 K HA -0.341 3.977 4.320 -0.003 0.000 0.229 6 K C 2.366 179.002 176.600 0.059 0.000 1.040 6 K CA 3.465 59.769 56.287 0.029 0.000 0.981 6 K CB -2.357 30.151 32.500 0.013 0.000 0.749 6 K HN 0.238 nan 8.250 nan 0.000 0.451 7 I N 0.662 121.258 120.570 0.042 0.000 2.300 7 I HA 0.137 4.306 4.170 -0.003 0.000 0.252 7 I C 1.841 178.022 176.117 0.106 0.000 1.119 7 I CA 1.758 63.095 61.300 0.062 0.000 1.384 7 I CB -0.970 37.056 38.000 0.044 0.000 1.062 7 I HN 0.564 nan 8.210 nan 0.000 0.426 8 L N -0.169 121.135 121.223 0.135 0.000 2.476 8 L HA 0.438 4.777 4.340 -0.003 0.000 0.255 8 L C 1.984 179.000 176.870 0.243 0.000 1.218 8 L CA 0.527 55.498 54.840 0.218 0.000 0.819 8 L CB 0.858 43.095 42.059 0.295 0.000 1.119 8 L HN 0.396 nan 8.230 nan 0.000 0.485 9 G N 1.486 110.466 108.800 0.301 0.000 2.736 9 G HA2 -0.147 3.812 3.960 -0.003 0.000 0.214 9 G HA3 -0.147 3.812 3.960 -0.003 0.000 0.214 9 G C 0.822 175.863 174.900 0.235 0.000 1.327 9 G CA 0.784 46.043 45.100 0.265 0.000 0.818 9 G HN 0.530 nan 8.290 nan 0.000 0.611 10 I N 0.866 121.590 120.570 0.255 0.000 3.103 10 I HA -0.263 3.905 4.170 -0.003 0.000 0.198 10 I C 0.646 176.855 176.117 0.154 0.000 1.371 10 I CA 0.412 61.833 61.300 0.202 0.000 0.864 10 I CB -0.863 37.261 38.000 0.207 0.000 1.682 10 I HN 0.363 nan 8.210 nan 0.000 0.998 11 D N 2.280 122.766 120.400 0.144 0.000 2.358 11 D HA 0.233 4.871 4.640 -0.003 0.000 0.258 11 D C -1.780 174.605 176.300 0.142 0.000 1.223 11 D CA -1.185 52.887 54.000 0.120 0.000 0.886 11 D CB 0.715 41.574 40.800 0.098 0.000 1.120 11 D HN 0.163 nan 8.370 nan 0.000 0.482 12 P HA 0.063 nan 4.420 nan 0.000 0.251 12 P C 1.247 178.599 177.300 0.086 0.000 1.289 12 P CA 0.962 64.118 63.100 0.093 0.000 0.676 12 P CB -0.553 31.190 31.700 0.071 0.000 1.294 13 N N -0.392 118.348 118.700 0.067 0.000 2.424 13 N HA -0.301 4.437 4.740 -0.003 0.000 0.206 13 N C 1.606 177.157 175.510 0.068 0.000 0.970 13 N CA 2.468 55.553 53.050 0.059 0.000 0.949 13 N CB -1.943 36.571 38.487 0.046 0.000 0.986 13 N HN 0.317 nan 8.380 nan 0.000 0.491 14 V N -2.220 117.745 119.914 0.085 0.000 2.273 14 V HA 0.452 4.570 4.120 -0.003 0.000 0.206 14 V C 1.647 177.807 176.094 0.110 0.000 0.970 14 V CA 3.632 65.993 62.300 0.102 0.000 1.050 14 V CB -1.156 30.741 31.823 0.124 0.000 0.672 14 V HN 1.915 nan 8.190 nan 0.000 0.471 15 T N -1.526 113.105 114.554 0.128 0.000 3.766 15 T HA 0.634 4.982 4.350 -0.003 0.000 0.185 15 T C -0.407 174.387 174.700 0.156 0.000 0.532 15 T CA 1.076 63.254 62.100 0.129 0.000 0.902 15 T CB -1.931 67.012 68.868 0.125 0.000 1.387 15 T HN 2.211 nan 8.240 nan 0.000 0.509 16 Q N 0.230 120.112 119.800 0.137 0.000 2.257 16 Q HA 0.907 5.246 4.340 -0.003 0.000 0.255 16 Q C -0.132 175.855 176.000 -0.023 0.000 0.920 16 Q CA -0.114 55.762 55.803 0.123 0.000 0.927 16 Q CB 0.654 29.526 28.738 0.222 0.000 1.229 16 Q HN 2.278 nan 8.270 nan 0.000 0.433 17 Y N 0.229 120.513 120.300 -0.028 0.000 2.485 17 Y HA 0.935 5.484 4.550 -0.003 0.000 0.345 17 Y C 0.545 176.228 175.900 -0.361 0.000 0.998 17 Y CA -0.481 57.571 58.100 -0.081 0.000 1.059 17 Y CB 1.944 40.523 38.460 0.198 0.000 1.234 17 Y HN 1.471 nan 8.280 nan 0.000 0.461 18 T N -0.744 113.460 114.554 -0.584 0.000 2.762 18 T HA 0.906 5.254 4.350 -0.003 0.000 0.301 18 T C 0.103 174.145 174.700 -1.096 0.000 1.299 18 T CA -0.043 61.376 62.100 -1.135 0.000 1.005 18 T CB 1.320 69.402 68.868 -1.311 0.000 1.377 18 T HN 2.847 nan 8.240 nan 0.000 0.504 19 G N 0.149 108.044 108.800 -1.508 0.000 2.217 19 G HA2 0.251 4.210 3.960 -0.003 0.000 0.173 19 G HA3 0.251 4.210 3.960 -0.003 0.000 0.173 19 G C -2.075 172.418 174.900 -0.678 0.000 1.324 19 G CA -0.442 44.176 45.100 -0.802 0.000 1.225 19 G HN 1.050 nan 8.290 nan 0.000 0.494 20 Y N -0.897 119.638 120.300 0.391 0.000 2.504 20 Y HA 0.712 5.261 4.550 -0.002 0.000 0.344 20 Y C -0.394 175.809 175.900 0.504 0.000 1.023 20 Y CA -0.809 57.629 58.100 0.563 0.000 1.020 20 Y CB 2.165 40.878 38.460 0.423 0.000 1.282 20 Y HN 0.503 nan 8.280 nan 0.000 0.454 21 L N 3.500 125.116 121.223 0.655 0.000 2.282 21 L HA 0.423 4.762 4.340 -0.003 0.000 0.288 21 L C -0.749 176.372 176.870 0.417 0.000 1.033 21 L CA -0.546 54.540 54.840 0.409 0.000 0.807 21 L CB 0.889 43.081 42.059 0.222 0.000 1.209 21 L HN 0.573 nan 8.230 nan 0.000 0.423 22 D N 1.597 122.152 120.400 0.259 0.000 2.177 22 D HA 0.381 5.019 4.640 -0.003 0.000 0.247 22 D C -0.435 175.913 176.300 0.079 0.000 1.063 22 D CA 0.019 54.100 54.000 0.135 0.000 0.867 22 D CB 2.246 43.131 40.800 0.142 0.000 1.168 22 D HN 0.174 nan 8.370 nan 0.000 0.445 23 V N 2.180 122.075 119.914 -0.032 0.000 2.271 23 V HA 0.351 4.469 4.120 -0.003 0.000 0.259 23 V C 1.206 177.255 176.094 -0.075 0.000 1.030 23 V CA 0.619 62.923 62.300 0.006 0.000 0.957 23 V CB -0.230 31.685 31.823 0.153 0.000 1.186 23 V HN 0.743 nan 8.190 nan 0.000 0.471 24 E N 3.260 123.438 120.200 -0.037 0.000 2.517 24 E HA -0.475 3.873 4.350 -0.003 0.000 0.251 24 E C 1.279 177.870 176.600 -0.016 0.000 0.990 24 E CA 3.175 59.567 56.400 -0.013 0.000 1.133 24 E CB -1.693 28.018 29.700 0.019 0.000 1.088 24 E HN 1.120 nan 8.360 nan 0.000 0.516 25 D N -0.135 120.268 120.400 0.005 0.000 2.127 25 D HA 0.044 4.682 4.640 -0.003 0.000 0.190 25 D C 2.012 178.315 176.300 0.005 0.000 1.000 25 D CA 3.213 57.221 54.000 0.014 0.000 0.839 25 D CB -0.627 40.190 40.800 0.028 0.000 0.955 25 D HN 0.781 nan 8.370 nan 0.000 0.446 26 E N 0.131 120.330 120.200 -0.002 0.000 2.427 26 E HA 0.018 4.367 4.350 -0.003 0.000 0.196 26 E C 0.975 177.539 176.600 -0.062 0.000 1.028 26 E CA 0.920 57.315 56.400 -0.008 0.000 0.864 26 E CB -0.989 28.725 29.700 0.023 0.000 0.813 26 E HN 0.566 nan 8.360 nan 0.000 0.514 27 D N -1.044 119.288 120.400 -0.112 0.000 2.723 27 D HA -0.153 4.485 4.640 -0.003 0.000 0.236 27 D C -0.645 175.407 176.300 -0.414 0.000 1.138 27 D CA 1.151 55.040 54.000 -0.185 0.000 0.676 27 D CB -1.540 39.265 40.800 0.009 0.000 1.069 27 D HN 0.506 nan 8.370 nan 0.000 0.430 28 K N 1.009 121.085 120.400 -0.540 0.000 2.235 28 K HA 0.416 4.735 4.320 -0.003 0.000 0.266 28 K C -0.501 175.442 176.600 -1.096 0.000 0.980 28 K CA -0.661 55.203 56.287 -0.704 0.000 0.849 28 K CB 1.173 33.369 32.500 -0.507 0.000 1.098 28 K HN 0.243 nan 8.250 nan 0.000 0.445 29 H N 4.023 122.622 119.070 -0.785 0.000 2.683 29 H HA 0.189 4.744 4.556 -0.003 0.000 0.270 29 H C -0.489 174.680 175.328 -0.266 0.000 1.201 29 H CA -0.641 55.078 56.048 -0.549 0.000 1.277 29 H CB -0.009 29.116 29.762 -1.060 0.000 1.400 29 H HN 0.347 nan 8.280 nan 0.000 0.504 30 F N 2.337 122.507 119.950 0.367 0.000 2.459 30 F HA 0.131 4.656 4.527 -0.002 0.000 0.346 30 F C 0.432 176.599 175.800 0.611 0.000 1.128 30 F CA -0.159 58.075 58.000 0.390 0.000 1.268 30 F CB 0.327 39.505 39.000 0.296 0.000 1.161 30 F HN 0.352 nan 8.300 nan 0.000 0.583 31 F N 4.366 124.622 119.950 0.510 0.000 2.551 31 F HA 0.698 5.224 4.527 -0.003 0.000 0.316 31 F C -1.429 174.620 175.800 0.416 0.000 1.089 31 F CA -1.429 56.715 58.000 0.239 0.000 0.915 31 F CB 1.336 40.385 39.000 0.081 0.000 1.186 31 F HN 0.287 nan 8.300 nan 0.000 0.456 32 F N 2.520 121.961 119.950 -0.848 0.000 2.685 32 F HA 0.673 5.198 4.527 -0.003 0.000 0.315 32 F C -2.265 173.258 175.800 -0.461 0.000 1.126 32 F CA -2.394 55.434 58.000 -0.287 0.000 0.950 32 F CB 1.035 40.059 39.000 0.040 0.000 1.360 32 F HN 0.648 nan 8.300 nan 0.000 0.469 33 W N 1.534 122.702 121.300 -0.221 0.000 3.036 33 W HA 0.642 5.300 4.660 -0.003 0.000 0.337 33 W C -1.596 175.011 176.519 0.147 0.000 1.055 33 W CA -0.407 56.840 57.345 -0.163 0.000 1.248 33 W CB 2.384 31.886 29.460 0.070 0.000 1.335 33 W HN 0.833 nan 8.180 nan 0.000 0.446 34 T N 2.986 117.834 114.554 0.491 0.000 2.927 34 T HA 0.858 5.207 4.350 -0.003 0.000 0.286 34 T C -0.626 174.363 174.700 0.481 0.000 1.040 34 T CA -0.181 62.197 62.100 0.464 0.000 1.010 34 T CB 1.353 70.419 68.868 0.330 0.000 1.177 34 T HN 0.309 nan 8.240 nan 0.000 0.546 35 F N -0.062 120.085 119.950 0.328 0.000 2.615 35 F HA 0.691 5.217 4.527 -0.003 0.000 0.312 35 F C -0.340 175.554 175.800 0.158 0.000 1.119 35 F CA -1.405 56.764 58.000 0.280 0.000 0.979 35 F CB 0.688 39.874 39.000 0.310 0.000 1.266 35 F HN 0.756 nan 8.300 nan 0.000 0.444 36 E N 1.562 121.858 120.200 0.160 0.000 2.371 36 E HA 0.397 4.746 4.350 -0.003 0.000 0.257 36 E C 0.299 176.962 176.600 0.105 0.000 1.134 36 E CA 0.082 56.560 56.400 0.130 0.000 0.919 36 E CB 1.717 31.523 29.700 0.175 0.000 1.025 36 E HN 0.811 nan 8.360 nan 0.000 0.438 37 S N 0.459 116.214 115.700 0.092 0.000 2.579 37 S HA 0.004 4.472 4.470 -0.003 0.000 0.275 37 S C 1.058 175.707 174.600 0.082 0.000 1.345 37 S CA -0.421 57.830 58.200 0.083 0.000 1.031 37 S CB 0.588 63.840 63.200 0.087 0.000 0.892 37 S HN 0.408 nan 8.310 nan 0.000 0.529 38 R N 2.346 122.888 120.500 0.069 0.000 2.280 38 R HA 0.002 4.341 4.340 -0.003 0.000 0.207 38 R C 1.141 177.469 176.300 0.048 0.000 1.043 38 R CA 0.738 56.873 56.100 0.058 0.000 1.006 38 R CB -0.913 29.413 30.300 0.044 0.000 0.885 38 R HN 0.643 nan 8.270 nan 0.000 0.467 39 N N 0.859 119.588 118.700 0.048 0.000 2.218 39 N HA -0.076 4.662 4.740 -0.003 0.000 0.231 39 N C -0.664 174.875 175.510 0.048 0.000 1.036 39 N CA 0.477 53.548 53.050 0.035 0.000 1.139 39 N CB 0.279 38.777 38.487 0.019 0.000 1.456 39 N HN -0.101 nan 8.380 nan 0.000 0.608 40 D N -0.691 119.744 120.400 0.058 0.000 2.469 40 D HA 0.382 5.021 4.640 -0.003 0.000 0.251 40 D C -2.220 174.141 176.300 0.101 0.000 1.173 40 D CA -2.086 51.956 54.000 0.071 0.000 0.882 40 D CB 1.726 42.558 40.800 0.054 0.000 1.129 40 D HN 0.096 nan 8.370 nan 0.000 0.549 41 P HA -0.079 nan 4.420 nan 0.000 0.223 41 P C 0.810 178.224 177.300 0.191 0.000 1.144 41 P CA 0.691 63.890 63.100 0.165 0.000 0.783 41 P CB 0.293 32.116 31.700 0.205 0.000 0.771 42 A N -0.403 122.504 122.820 0.145 0.000 1.935 42 A HA 0.045 4.364 4.320 -0.003 0.000 0.214 42 A C 2.302 179.959 177.584 0.121 0.000 1.178 42 A CA 1.996 54.111 52.037 0.128 0.000 0.640 42 A CB -1.003 18.049 19.000 0.088 0.000 0.825 42 A HN 0.249 nan 8.150 nan 0.000 0.447 43 K N 0.001 120.469 120.400 0.113 0.000 2.102 43 K HA 0.116 4.434 4.320 -0.003 0.000 0.206 43 K C 0.414 177.107 176.600 0.154 0.000 1.031 43 K CA 0.688 57.045 56.287 0.117 0.000 0.962 43 K CB -0.978 31.577 32.500 0.092 0.000 0.811 43 K HN 0.370 nan 8.250 nan 0.000 0.453 44 D N 2.133 122.635 120.400 0.169 0.000 2.877 44 D HA -0.021 4.618 4.640 -0.003 0.000 0.220 44 D C -2.041 174.351 176.300 0.154 0.000 1.089 44 D CA -0.462 53.657 54.000 0.198 0.000 0.811 44 D CB 0.670 41.572 40.800 0.170 0.000 1.162 44 D HN 0.308 nan 8.370 nan 0.000 0.513 45 P HA 0.043 nan 4.420 nan 0.000 0.280 45 P C -0.248 177.132 177.300 0.132 0.000 1.278 45 P CA -0.398 62.790 63.100 0.146 0.000 0.787 45 P CB 0.609 32.385 31.700 0.126 0.000 1.163 46 V N -0.215 119.844 119.914 0.241 0.000 2.864 46 V HA 0.519 4.637 4.120 -0.003 0.000 0.314 46 V C 0.260 176.585 176.094 0.384 0.000 1.073 46 V CA -0.646 61.803 62.300 0.248 0.000 0.956 46 V CB 1.860 33.852 31.823 0.281 0.000 1.023 46 V HN 0.369 nan 8.190 nan 0.000 0.435 47 I N 3.721 124.447 120.570 0.260 0.000 2.571 47 I HA 0.273 4.441 4.170 -0.003 0.000 0.289 47 I C -1.498 174.739 176.117 0.199 0.000 1.115 47 I CA -0.602 60.833 61.300 0.225 0.000 1.045 47 I CB 2.132 40.179 38.000 0.077 0.000 1.238 47 I HN 0.358 nan 8.210 nan 0.000 0.424 48 L N 7.421 128.816 121.223 0.286 0.000 2.261 48 L HA 0.305 4.644 4.340 -0.003 0.000 0.289 48 L C -0.683 176.281 176.870 0.157 0.000 1.059 48 L CA -0.028 54.919 54.840 0.178 0.000 0.816 48 L CB 0.604 42.800 42.059 0.229 0.000 1.191 48 L HN 0.557 nan 8.230 nan 0.000 0.431 49 W N 8.033 129.271 121.300 -0.104 0.000 2.478 49 W HA 0.502 5.160 4.660 -0.003 0.000 0.318 49 W C -1.957 174.573 176.519 0.019 0.000 1.062 49 W CA -0.884 56.415 57.345 -0.075 0.000 1.210 49 W CB 1.473 30.788 29.460 -0.243 0.000 1.325 49 W HN 0.348 nan 8.180 nan 0.000 0.496 50 L N 6.036 126.638 121.223 -1.035 0.000 2.356 50 L HA 0.314 4.653 4.340 -0.003 0.000 0.277 50 L C 0.030 176.363 176.870 -0.895 0.000 0.996 50 L CA -0.622 53.791 54.840 -0.712 0.000 0.822 50 L CB 2.020 43.900 42.059 -0.299 0.000 1.256 50 L HN 0.494 nan 8.230 nan 0.000 0.413 51 N N 0.208 118.738 118.700 -0.284 0.000 2.478 51 N HA 0.594 5.332 4.740 -0.003 0.000 0.275 51 N C 0.294 175.805 175.510 0.002 0.000 1.221 51 N CA 0.113 53.126 53.050 -0.061 0.000 0.979 51 N CB 1.635 40.245 38.487 0.206 0.000 1.202 51 N HN 0.681 nan 8.380 nan 0.000 0.564 52 G N -1.504 107.302 108.800 0.010 0.000 3.387 52 G HA2 0.566 4.525 3.960 -0.003 0.000 0.195 52 G HA3 0.566 4.525 3.960 -0.003 0.000 0.195 52 G C 0.343 175.191 174.900 -0.088 0.000 1.853 52 G CA 0.339 45.426 45.100 -0.021 0.000 0.879 52 G HN 0.883 nan 8.290 nan 0.000 0.651 53 G N -0.334 108.349 108.800 -0.196 0.000 1.920 53 G HA2 -0.012 3.947 3.960 -0.003 0.000 0.210 53 G HA3 -0.012 3.947 3.960 -0.003 0.000 0.210 53 G C -2.548 172.036 174.900 -0.527 0.000 1.302 53 G CA 0.079 45.012 45.100 -0.278 0.000 1.333 53 G HN 0.777 nan 8.290 nan 0.000 0.452 54 P HA 0.491 nan 4.420 nan 0.000 0.276 54 P C 0.567 177.617 177.300 -0.417 0.000 1.252 54 P CA 1.525 64.138 63.100 -0.812 0.000 0.802 54 P CB 0.780 31.680 31.700 -1.334 0.000 1.035 55 G N -0.715 107.928 108.800 -0.262 0.000 2.203 55 G HA2 -0.159 3.800 3.960 -0.003 0.000 0.231 55 G HA3 -0.159 3.800 3.960 -0.003 0.000 0.231 55 G C -0.239 174.614 174.900 -0.079 0.000 1.058 55 G CA -0.432 44.587 45.100 -0.135 0.000 0.781 55 G HN 0.671 nan 8.290 nan 0.000 0.496 56 c N 0.219 118.792 118.600 -0.046 0.000 2.456 56 c HA 0.818 5.386 4.570 -0.003 0.000 0.325 56 c C 1.109 175.222 174.090 0.038 0.000 1.217 56 c CA -0.126 56.190 56.329 -0.022 0.000 1.687 56 c CB 1.400 43.901 42.510 -0.016 0.000 2.270 56 c HN 0.899 nan 8.230 nan 0.000 0.499 57 S N 1.585 117.308 115.700 0.039 0.000 2.562 57 S HA 0.067 4.535 4.470 -0.003 0.000 0.281 57 S C 1.125 175.851 174.600 0.211 0.000 1.333 57 S CA -0.116 58.170 58.200 0.144 0.000 1.052 57 S CB 0.642 63.974 63.200 0.221 0.000 0.884 57 S HN 0.789 nan 8.310 nan 0.000 0.506 58 S N 4.066 119.938 115.700 0.286 0.000 2.489 58 S HA 0.065 4.534 4.470 -0.003 0.000 0.228 58 S C 1.654 176.446 174.600 0.320 0.000 0.995 58 S CA 0.330 58.769 58.200 0.397 0.000 0.934 58 S CB -0.358 63.140 63.200 0.498 0.000 0.771 58 S HN 0.724 nan 8.310 nan 0.000 0.522 59 L N 1.343 122.685 121.223 0.197 0.000 2.349 59 L HA -0.124 4.215 4.340 -0.003 0.000 0.220 59 L C 2.423 179.305 176.870 0.020 0.000 1.130 59 L CA 0.878 55.713 54.840 -0.009 0.000 0.791 59 L CB -1.142 40.983 42.059 0.110 0.000 0.918 59 L HN 0.272 nan 8.230 nan 0.000 0.444 60 T N -0.284 114.348 114.554 0.129 0.000 2.746 60 T HA -0.137 4.211 4.350 -0.003 0.000 0.267 60 T C 1.871 176.647 174.700 0.128 0.000 1.039 60 T CA 1.529 63.700 62.100 0.119 0.000 1.142 60 T CB -0.423 68.505 68.868 0.100 0.000 0.866 60 T HN 0.584 nan 8.240 nan 0.000 0.444 61 G N 0.882 109.776 108.800 0.157 0.000 2.430 61 G HA2 -0.019 3.939 3.960 -0.003 0.000 0.216 61 G HA3 -0.019 3.939 3.960 -0.003 0.000 0.216 61 G C 1.504 176.266 174.900 -0.231 0.000 1.146 61 G CA 0.173 45.306 45.100 0.056 0.000 0.793 61 G HN 0.455 nan 8.290 nan 0.000 0.537 62 L N -0.649 120.274 121.223 -0.500 0.000 1.989 62 L HA 0.091 4.430 4.340 -0.003 0.000 0.211 62 L C 1.243 177.638 176.870 -0.792 0.000 1.071 62 L CA 1.289 55.467 54.840 -1.103 0.000 0.749 62 L CB -0.149 40.577 42.059 -2.221 0.000 0.890 62 L HN 0.181 nan 8.230 nan 0.000 0.431 63 F N -0.590 119.151 119.950 -0.348 0.000 2.980 63 F HA 0.126 4.652 4.527 -0.002 0.000 0.299 63 F C 0.520 176.310 175.800 -0.017 0.000 1.211 63 F CA -0.129 57.730 58.000 -0.235 0.000 1.328 63 F CB 0.215 39.073 39.000 -0.238 0.000 1.154 63 F HN 0.122 nan 8.300 nan 0.000 0.528 64 F N -1.111 118.777 119.950 -0.104 0.000 2.817 64 F HA 0.362 4.888 4.527 -0.002 0.000 0.419 64 F C 1.067 176.862 175.800 -0.009 0.000 0.901 64 F CA 0.605 58.586 58.000 -0.030 0.000 0.920 64 F CB -0.167 38.798 39.000 -0.059 0.000 1.287 64 F HN -0.126 nan 8.300 nan 0.000 0.562 65 A N 0.233 122.877 122.820 -0.293 0.000 1.895 65 A HA 0.489 4.807 4.320 -0.003 0.000 0.198 65 A C 0.548 177.858 177.584 -0.456 0.000 1.709 65 A CA 0.847 52.640 52.037 -0.407 0.000 1.194 65 A CB 0.000 18.782 19.000 -0.363 0.000 1.260 65 A HN 0.531 nan 8.150 nan 0.000 0.441 66 L N -3.361 117.547 121.223 -0.526 0.000 3.606 66 L HA 0.678 5.017 4.340 -0.003 0.000 0.336 66 L C 0.484 177.164 176.870 -0.317 0.000 1.300 66 L CA 0.056 54.503 54.840 -0.655 0.000 1.050 66 L CB 0.176 41.337 42.059 -1.498 0.000 1.439 66 L HN 0.162 nan 8.230 nan 0.000 0.621 67 G N -0.095 108.545 108.800 -0.267 0.000 2.531 67 G HA2 0.566 4.525 3.960 -0.003 0.000 0.313 67 G HA3 0.566 4.525 3.960 -0.003 0.000 0.313 67 G C -2.085 172.706 174.900 -0.182 0.000 1.238 67 G CA -1.258 43.708 45.100 -0.225 0.000 0.994 67 G HN -0.121 nan 8.290 nan 0.000 0.493 68 P HA 0.091 nan 4.420 nan 0.000 0.215 68 P C 0.968 178.187 177.300 -0.135 0.000 1.157 68 P CA 1.999 65.022 63.100 -0.128 0.000 0.863 68 P CB 0.122 31.744 31.700 -0.129 0.000 0.787 69 S N -1.607 113.963 115.700 -0.218 0.000 2.599 69 S HA 0.656 5.124 4.470 -0.003 0.000 0.294 69 S C 0.007 174.592 174.600 -0.026 0.000 1.094 69 S CA -0.479 57.659 58.200 -0.104 0.000 0.931 69 S CB 1.244 64.424 63.200 -0.034 0.000 1.093 69 S HN -0.049 nan 8.310 nan 0.000 0.488 70 S N 0.293 116.022 115.700 0.047 0.000 2.751 70 S HA 0.881 5.350 4.470 -0.003 0.000 0.310 70 S C -0.868 173.730 174.600 -0.003 0.000 1.128 70 S CA -0.626 57.629 58.200 0.092 0.000 0.931 70 S CB 0.954 64.184 63.200 0.050 0.000 1.177 70 S HN 0.654 nan 8.310 nan 0.000 0.530 71 I N 0.887 121.439 120.570 -0.031 0.000 2.478 71 I HA 0.559 4.728 4.170 -0.003 0.000 0.287 71 I C 0.132 176.247 176.117 -0.002 0.000 1.042 71 I CA -0.556 60.674 61.300 -0.117 0.000 1.067 71 I CB 1.823 39.615 38.000 -0.346 0.000 1.233 71 I HN 0.826 nan 8.210 nan 0.000 0.431 72 G N 5.095 113.906 108.800 0.019 0.000 2.454 72 G HA2 0.523 4.481 3.960 -0.003 0.000 0.329 72 G HA3 0.523 4.481 3.960 -0.003 0.000 0.329 72 G C -1.908 173.029 174.900 0.061 0.000 1.177 72 G CA -1.587 43.542 45.100 0.050 0.000 0.951 72 G HN 0.353 nan 8.290 nan 0.000 0.485 73 P HA -0.256 nan 4.420 nan 0.000 0.224 73 P C 1.071 178.411 177.300 0.066 0.000 1.154 73 P CA 1.902 65.037 63.100 0.059 0.000 0.868 73 P CB 0.110 31.840 31.700 0.051 0.000 0.782 74 D N -1.267 119.176 120.400 0.071 0.000 2.363 74 D HA -0.075 4.563 4.640 -0.003 0.000 0.226 74 D C 0.779 177.155 176.300 0.127 0.000 1.020 74 D CA -0.098 53.950 54.000 0.081 0.000 0.892 74 D CB -0.916 39.926 40.800 0.069 0.000 0.900 74 D HN -0.019 nan 8.370 nan 0.000 0.531 75 L N -0.605 120.707 121.223 0.150 0.000 3.851 75 L HA -0.256 4.082 4.340 -0.003 0.000 0.438 75 L C -0.496 176.654 176.870 0.468 0.000 1.171 75 L CA 1.032 56.037 54.840 0.276 0.000 0.895 75 L CB -1.561 40.629 42.059 0.219 0.000 1.800 75 L HN 0.198 nan 8.230 nan 0.000 0.960 76 K N 0.237 120.810 120.400 0.288 0.000 2.376 76 K HA 0.581 4.899 4.320 -0.003 0.000 0.257 76 K C -2.158 174.509 176.600 0.112 0.000 0.939 76 K CA -1.893 54.564 56.287 0.284 0.000 0.809 76 K CB 1.603 34.211 32.500 0.180 0.000 1.121 76 K HN -0.237 nan 8.250 nan 0.000 0.425 77 P HA 0.021 nan 4.420 nan 0.000 0.271 77 P C -0.468 176.838 177.300 0.010 0.000 1.212 77 P CA 0.170 63.245 63.100 -0.042 0.000 0.788 77 P CB 0.443 32.182 31.700 0.065 0.000 0.865 78 I N -0.444 120.125 120.570 -0.001 0.000 2.667 78 I HA 0.260 4.428 4.170 -0.003 0.000 0.288 78 I C 0.432 176.542 176.117 -0.012 0.000 1.267 78 I CA -0.456 60.846 61.300 0.003 0.000 1.055 78 I CB 1.790 39.791 38.000 0.001 0.000 1.294 78 I HN 0.316 nan 8.210 nan 0.000 0.429 79 G N 3.442 112.234 108.800 -0.013 0.000 2.265 79 G HA2 -0.023 3.936 3.960 -0.003 0.000 0.240 79 G HA3 -0.023 3.936 3.960 -0.003 0.000 0.240 79 G C -0.193 174.676 174.900 -0.053 0.000 1.270 79 G CA 0.039 45.120 45.100 -0.031 0.000 0.901 79 G HN 0.694 nan 8.290 nan 0.000 0.507 80 N N 2.182 120.845 118.700 -0.061 0.000 2.426 80 N HA 0.409 5.148 4.740 -0.003 0.000 0.257 80 N C -1.431 174.008 175.510 -0.119 0.000 1.002 80 N CA -1.930 51.079 53.050 -0.069 0.000 0.942 80 N CB 1.618 40.075 38.487 -0.050 0.000 1.112 80 N HN 0.149 nan 8.380 nan 0.000 0.499 81 P HA 0.086 nan 4.420 nan 0.000 0.256 81 P C -1.033 175.684 177.300 -0.972 0.000 1.335 81 P CA 0.593 63.388 63.100 -0.507 0.000 0.808 81 P CB -0.115 31.246 31.700 -0.565 0.000 1.305 82 Y N -2.852 117.445 120.300 -0.005 0.000 3.075 82 Y HA 0.144 4.692 4.550 -0.003 0.000 0.270 82 Y C 0.869 176.816 175.900 0.078 0.000 1.071 82 Y CA -0.881 57.235 58.100 0.025 0.000 1.269 82 Y CB -0.719 37.753 38.460 0.020 0.000 1.291 82 Y HN -0.172 nan 8.280 nan 0.000 0.613 83 S N -0.181 115.601 115.700 0.135 0.000 2.559 83 S HA -0.122 4.347 4.470 -0.003 0.000 0.282 83 S C 0.928 175.707 174.600 0.298 0.000 1.336 83 S CA 0.156 58.450 58.200 0.157 0.000 1.037 83 S CB 0.490 63.727 63.200 0.061 0.000 0.853 83 S HN 0.445 nan 8.310 nan 0.000 0.523 84 W N 2.468 123.741 121.300 -0.046 0.000 2.519 84 W HA 0.056 4.715 4.660 -0.002 0.000 0.266 84 W C 2.013 178.513 176.519 -0.032 0.000 1.253 84 W CA 0.774 58.084 57.345 -0.058 0.000 1.274 84 W CB -0.733 28.648 29.460 -0.131 0.000 1.114 84 W HN 0.913 nan 8.180 nan 0.000 0.596 85 N N -0.158 118.632 118.700 0.150 0.000 2.314 85 N HA 0.031 4.770 4.740 -0.003 0.000 0.200 85 N C 1.421 176.973 175.510 0.069 0.000 1.135 85 N CA 1.086 54.187 53.050 0.085 0.000 0.835 85 N CB -0.717 37.827 38.487 0.095 0.000 0.989 85 N HN 0.080 nan 8.380 nan 0.000 0.478 86 S N 0.846 116.585 115.700 0.065 0.000 2.407 86 S HA -0.139 4.330 4.470 -0.003 0.000 0.235 86 S C 1.316 175.940 174.600 0.041 0.000 1.036 86 S CA 1.167 59.395 58.200 0.047 0.000 1.013 86 S CB -0.265 62.962 63.200 0.045 0.000 0.820 86 S HN 0.437 nan 8.310 nan 0.000 0.476 87 N N 0.161 118.893 118.700 0.054 0.000 2.595 87 N HA 0.527 5.265 4.740 -0.003 0.000 0.291 87 N C -1.004 174.602 175.510 0.160 0.000 1.706 87 N CA 0.781 53.893 53.050 0.104 0.000 0.867 87 N CB 1.105 39.664 38.487 0.120 0.000 1.414 87 N HN 0.561 nan 8.380 nan 0.000 0.492 88 A N -0.388 122.481 122.820 0.083 0.000 2.601 88 A HA 0.261 4.579 4.320 -0.003 0.000 0.303 88 A C -0.516 177.090 177.584 0.037 0.000 1.004 88 A CA -0.625 51.444 52.037 0.052 0.000 0.742 88 A CB 0.402 19.386 19.000 -0.026 0.000 1.250 88 A HN -0.007 nan 8.150 nan 0.000 0.406 89 T N 0.534 115.100 114.554 0.019 0.000 2.851 89 T HA 0.617 4.965 4.350 -0.003 0.000 0.298 89 T C 0.097 174.779 174.700 -0.031 0.000 0.977 89 T CA 0.630 62.716 62.100 -0.024 0.000 1.126 89 T CB 0.040 68.805 68.868 -0.171 0.000 0.916 89 T HN 2.162 nan 8.240 nan 0.000 0.529 90 V N 5.611 125.518 119.914 -0.012 0.000 2.628 90 V HA 0.814 4.932 4.120 -0.003 0.000 0.306 90 V C -0.270 175.780 176.094 -0.074 0.000 1.045 90 V CA -1.332 60.925 62.300 -0.073 0.000 0.905 90 V CB 1.678 33.412 31.823 -0.149 0.000 0.997 90 V HN 1.004 nan 8.190 nan 0.000 0.436 91 I N 3.535 124.017 120.570 -0.147 0.000 2.433 91 I HA 0.575 4.743 4.170 -0.003 0.000 0.292 91 I C -1.186 174.873 176.117 -0.096 0.000 1.001 91 I CA -0.223 61.042 61.300 -0.058 0.000 1.119 91 I CB 1.872 39.770 38.000 -0.170 0.000 1.289 91 I HN 0.534 nan 8.210 nan 0.000 0.438 92 F N 6.507 126.589 119.950 0.219 0.000 2.366 92 F HA 0.354 4.880 4.527 -0.002 0.000 0.357 92 F C -0.139 175.825 175.800 0.274 0.000 1.107 92 F CA -0.618 57.535 58.000 0.254 0.000 1.208 92 F CB 0.912 40.035 39.000 0.204 0.000 1.464 92 F HN 0.252 nan 8.300 nan 0.000 0.501 93 L N 2.365 123.763 121.223 0.292 0.000 2.417 93 L HA 0.313 4.652 4.340 -0.003 0.000 0.268 93 L C -0.014 177.015 176.870 0.264 0.000 1.158 93 L CA 0.339 55.263 54.840 0.140 0.000 0.819 93 L CB 0.548 42.490 42.059 -0.195 0.000 1.112 93 L HN 0.255 nan 8.230 nan 0.000 0.458 94 D N 3.444 124.048 120.400 0.339 0.000 2.590 94 D HA 0.155 4.793 4.640 -0.003 0.000 0.280 94 D C -0.541 175.921 176.300 0.270 0.000 1.197 94 D CA 0.004 54.218 54.000 0.357 0.000 0.967 94 D CB 0.308 41.403 40.800 0.491 0.000 0.987 94 D HN 0.545 nan 8.370 nan 0.000 0.508 95 Q N 1.821 121.708 119.800 0.144 0.000 2.235 95 Q HA 0.488 4.827 4.340 -0.003 0.000 0.256 95 Q C -2.679 173.351 176.000 0.050 0.000 0.951 95 Q CA -1.631 54.230 55.803 0.098 0.000 0.890 95 Q CB 2.502 31.218 28.738 -0.037 0.000 1.279 95 Q HN 0.005 nan 8.270 nan 0.000 0.444 96 P HA 0.173 nan 4.420 nan 0.000 0.338 96 P C -0.778 176.640 177.300 0.197 0.000 1.308 96 P CA -0.542 62.639 63.100 0.136 0.000 0.753 96 P CB 0.193 31.986 31.700 0.155 0.000 1.579 97 V N 1.370 121.406 119.914 0.203 0.000 2.458 97 V HA 0.102 4.221 4.120 -0.003 0.000 0.287 97 V C 0.714 176.888 176.094 0.133 0.000 1.009 97 V CA 0.417 62.788 62.300 0.119 0.000 1.091 97 V CB -1.425 30.416 31.823 0.030 0.000 0.960 97 V HN 0.621 nan 8.190 nan 0.000 0.476 98 N N 1.530 120.329 118.700 0.165 0.000 3.018 98 N HA -0.125 4.614 4.740 -0.003 0.000 0.209 98 N C -0.321 175.265 175.510 0.127 0.000 0.928 98 N CA 0.450 53.603 53.050 0.171 0.000 1.032 98 N CB -0.767 37.808 38.487 0.146 0.000 1.036 98 N HN 0.519 nan 8.380 nan 0.000 0.552 99 V N 0.877 120.875 119.914 0.139 0.000 2.481 99 V HA 0.636 4.755 4.120 -0.003 0.000 0.286 99 V C 1.824 177.978 176.094 0.100 0.000 1.042 99 V CA 0.584 62.935 62.300 0.084 0.000 0.928 99 V CB 1.046 32.930 31.823 0.103 0.000 0.986 99 V HN 0.539 nan 8.190 nan 0.000 0.462 100 G N 4.169 112.925 108.800 -0.074 0.000 2.699 100 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.347 100 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.347 100 G C 0.500 175.451 174.900 0.085 0.000 1.225 100 G CA 1.469 46.483 45.100 -0.142 0.000 0.973 100 G HN 0.613 nan 8.290 nan 0.000 0.551 101 F N 2.919 123.026 119.950 0.260 0.000 2.789 101 F HA 0.350 4.875 4.527 -0.003 0.000 0.300 101 F C 2.154 178.170 175.800 0.360 0.000 1.132 101 F CA 0.622 58.652 58.000 0.051 0.000 1.404 101 F CB 0.039 38.510 39.000 -0.882 0.000 1.114 101 F HN 0.243 nan 8.300 nan 0.000 0.584 102 S N -0.632 115.415 115.700 0.579 0.000 2.646 102 S HA 0.602 5.070 4.470 -0.003 0.000 0.273 102 S C -0.896 174.056 174.600 0.587 0.000 1.168 102 S CA -0.223 58.374 58.200 0.661 0.000 1.013 102 S CB 1.159 64.634 63.200 0.459 0.000 1.098 102 S HN 0.309 nan 8.310 nan 0.000 0.544 103 Y N -2.588 117.845 120.300 0.221 0.000 2.932 103 Y HA 0.681 5.229 4.550 -0.003 0.000 0.384 103 Y C -0.875 175.118 175.900 0.156 0.000 1.193 103 Y CA -0.892 57.296 58.100 0.146 0.000 1.161 103 Y CB 0.426 38.956 38.460 0.117 0.000 1.500 103 Y HN 0.718 nan 8.280 nan 0.000 0.463 104 S N -1.142 114.646 115.700 0.146 0.000 2.672 104 S HA 0.652 5.121 4.470 -0.003 0.000 0.271 104 S C 0.110 174.854 174.600 0.239 0.000 1.171 104 S CA -0.222 58.056 58.200 0.130 0.000 0.817 104 S CB 1.039 64.244 63.200 0.008 0.000 1.150 104 S HN 1.690 nan 8.310 nan 0.000 0.478 105 G N 0.430 109.332 108.800 0.171 0.000 2.673 105 G HA2 0.352 4.310 3.960 -0.003 0.000 0.208 105 G HA3 0.352 4.310 3.960 -0.003 0.000 0.208 105 G C 0.212 175.172 174.900 0.099 0.000 1.128 105 G CA 0.770 45.953 45.100 0.139 0.000 0.805 105 G HN 1.391 nan 8.290 nan 0.000 0.526 106 S N -0.874 114.876 115.700 0.084 0.000 2.706 106 S HA 0.680 5.149 4.470 -0.003 0.000 0.270 106 S C -0.866 173.768 174.600 0.057 0.000 1.163 106 S CA 0.043 58.283 58.200 0.067 0.000 1.042 106 S CB 1.603 64.837 63.200 0.057 0.000 1.079 106 S HN 0.207 nan 8.310 nan 0.000 0.474 107 S N 2.776 118.513 115.700 0.061 0.000 3.888 107 S HA 0.941 5.410 4.470 -0.003 0.000 0.307 107 S C 0.497 175.135 174.600 0.064 0.000 1.122 107 S CA 0.109 58.343 58.200 0.056 0.000 1.197 107 S CB 0.713 63.942 63.200 0.048 0.000 1.533 107 S HN 1.196 nan 8.310 nan 0.000 0.696 108 G N 0.003 108.847 108.800 0.073 0.000 3.009 108 G HA2 0.470 4.428 3.960 -0.003 0.000 0.193 108 G HA3 0.470 4.428 3.960 -0.003 0.000 0.193 108 G C 0.221 175.187 174.900 0.112 0.000 1.636 108 G CA 0.805 45.951 45.100 0.076 0.000 0.832 108 G HN 1.952 nan 8.290 nan 0.000 0.795 109 V N 0.074 120.060 119.914 0.119 0.000 5.957 109 V HA -0.167 3.951 4.120 -0.003 0.000 0.225 109 V C 0.409 176.605 176.094 0.171 0.000 0.661 109 V CA 1.195 63.609 62.300 0.190 0.000 0.571 109 V CB -2.685 29.308 31.823 0.283 0.000 0.361 109 V HN 1.671 nan 8.190 nan 0.000 0.495 110 S N 0.284 115.948 115.700 -0.061 0.000 2.575 110 S HA 0.539 5.008 4.470 -0.003 0.000 0.237 110 S C 0.251 174.357 174.600 -0.824 0.000 0.975 110 S CA 0.263 58.320 58.200 -0.238 0.000 0.960 110 S CB -0.131 63.018 63.200 -0.086 0.000 0.822 110 S HN 2.405 nan 8.310 nan 0.000 0.472 111 N N -1.571 116.492 118.700 -1.063 0.000 3.533 111 N HA 0.194 4.933 4.740 -0.003 0.000 0.229 111 N C 0.089 175.574 175.510 -0.041 0.000 1.418 111 N CA -0.253 52.259 53.050 -0.898 0.000 0.880 111 N CB 0.150 38.469 38.487 -0.279 0.000 1.415 111 N HN -0.234 nan 8.380 nan 0.000 0.491 112 T N -0.077 114.669 114.554 0.320 0.000 2.770 112 T HA -0.026 4.323 4.350 -0.003 0.000 0.263 112 T C 1.533 176.452 174.700 0.365 0.000 1.039 112 T CA 1.483 63.883 62.100 0.500 0.000 1.142 112 T CB -0.261 68.753 68.868 0.243 0.000 0.868 112 T HN 0.352 nan 8.240 nan 0.000 0.435 113 V N 1.646 121.711 119.914 0.253 0.000 2.370 113 V HA -0.232 3.886 4.120 -0.003 0.000 0.252 113 V C 2.639 178.822 176.094 0.149 0.000 1.068 113 V CA 1.958 64.379 62.300 0.201 0.000 1.061 113 V CB -0.854 31.072 31.823 0.171 0.000 0.656 113 V HN 0.544 nan 8.190 nan 0.000 0.455 114 A N -1.095 121.811 122.820 0.143 0.000 2.081 114 A HA 0.282 4.601 4.320 -0.003 0.000 0.214 114 A C 2.302 179.936 177.584 0.083 0.000 1.158 114 A CA 1.193 53.289 52.037 0.098 0.000 0.724 114 A CB -0.341 18.710 19.000 0.085 0.000 0.826 114 A HN 0.526 nan 8.150 nan 0.000 0.463 115 A N -0.019 122.904 122.820 0.171 0.000 1.930 115 A HA 0.178 4.496 4.320 -0.003 0.000 0.217 115 A C 2.345 179.677 177.584 -0.420 0.000 1.175 115 A CA 1.719 53.796 52.037 0.066 0.000 0.627 115 A CB -1.306 17.882 19.000 0.313 0.000 0.815 115 A HN 0.650 nan 8.150 nan 0.000 0.443 116 G N 0.313 108.729 108.800 -0.640 0.000 2.553 116 G HA2 -0.324 3.635 3.960 -0.003 0.000 0.218 116 G HA3 -0.324 3.635 3.960 -0.003 0.000 0.218 116 G C 1.623 176.235 174.900 -0.480 0.000 1.195 116 G CA 1.261 45.704 45.100 -1.096 0.000 0.779 116 G HN 0.592 nan 8.290 nan 0.000 0.577 117 K N 0.346 120.632 120.400 -0.190 0.000 2.127 117 K HA -0.134 4.184 4.320 -0.003 0.000 0.208 117 K C 1.887 178.451 176.600 -0.059 0.000 1.047 117 K CA 1.526 57.775 56.287 -0.064 0.000 0.927 117 K CB -0.159 32.348 32.500 0.012 0.000 0.716 117 K HN 0.226 nan 8.250 nan 0.000 0.450 118 D N 0.069 120.406 120.400 -0.104 0.000 2.347 118 D HA -0.031 4.608 4.640 -0.003 0.000 0.213 118 D C 1.759 177.850 176.300 -0.349 0.000 0.985 118 D CA 0.352 54.300 54.000 -0.086 0.000 0.879 118 D CB 0.173 41.090 40.800 0.195 0.000 0.919 118 D HN -0.059 nan 8.370 nan 0.000 0.526 119 V N 0.378 120.041 119.914 -0.419 0.000 2.346 119 V HA -0.221 3.898 4.120 -0.003 0.000 0.244 119 V C 2.076 178.066 176.094 -0.174 0.000 1.037 119 V CA 1.009 63.039 62.300 -0.451 0.000 1.029 119 V CB -0.527 30.939 31.823 -0.596 0.000 0.663 119 V HN 0.162 nan 8.190 nan 0.000 0.454 120 Y N 1.961 122.129 120.300 -0.220 0.000 2.315 120 Y HA -0.242 4.306 4.550 -0.003 0.000 0.288 120 Y C 2.206 178.079 175.900 -0.045 0.000 1.154 120 Y CA 1.832 59.883 58.100 -0.081 0.000 1.229 120 Y CB -0.225 38.137 38.460 -0.163 0.000 0.980 120 Y HN 0.363 nan 8.280 nan 0.000 0.540 121 N N -0.595 118.120 118.700 0.026 0.000 2.354 121 N HA -0.128 4.610 4.740 -0.003 0.000 0.179 121 N C 1.488 176.941 175.510 -0.095 0.000 1.021 121 N CA 1.261 54.295 53.050 -0.026 0.000 0.887 121 N CB -0.691 37.837 38.487 0.067 0.000 0.974 121 N HN 0.541 nan 8.380 nan 0.000 0.437 122 F N 1.053 120.759 119.950 -0.407 0.000 2.219 122 F HA 0.199 4.724 4.527 -0.003 0.000 0.294 122 F C 1.782 177.334 175.800 -0.412 0.000 1.086 122 F CA 0.566 58.312 58.000 -0.423 0.000 1.330 122 F CB -0.463 38.121 39.000 -0.694 0.000 1.047 122 F HN -0.123 nan 8.300 nan 0.000 0.495 123 L N 0.654 121.731 121.223 -0.243 0.000 2.042 123 L HA -0.219 4.120 4.340 -0.003 0.000 0.210 123 L C 2.680 179.108 176.870 -0.737 0.000 1.076 123 L CA 2.052 56.461 54.840 -0.719 0.000 0.749 123 L CB -0.775 40.899 42.059 -0.641 0.000 0.893 123 L HN 0.326 nan 8.230 nan 0.000 0.432 124 E N 0.461 120.472 120.200 -0.314 0.000 2.077 124 E HA -0.210 4.138 4.350 -0.003 0.000 0.193 124 E C 2.214 178.727 176.600 -0.145 0.000 0.989 124 E CA 1.023 57.382 56.400 -0.068 0.000 0.800 124 E CB 0.029 29.546 29.700 -0.306 0.000 0.746 124 E HN 0.442 nan 8.360 nan 0.000 0.452 125 L N -0.038 121.029 121.223 -0.259 0.000 1.908 125 L HA -0.223 4.115 4.340 -0.003 0.000 0.227 125 L C 2.569 179.264 176.870 -0.292 0.000 1.087 125 L CA 1.852 56.547 54.840 -0.241 0.000 0.797 125 L CB -1.235 40.657 42.059 -0.279 0.000 0.893 125 L HN 0.181 nan 8.230 nan 0.000 0.432 126 F N 0.488 119.976 119.950 -0.769 0.000 2.071 126 F HA -0.378 4.147 4.527 -0.003 0.000 0.291 126 F C 2.200 177.752 175.800 -0.412 0.000 1.070 126 F CA 1.920 59.435 58.000 -0.809 0.000 1.262 126 F CB -0.617 37.492 39.000 -1.485 0.000 0.983 126 F HN -0.037 nan 8.300 nan 0.000 0.493 127 F N 0.801 120.689 119.950 -0.103 0.000 2.365 127 F HA -0.081 4.445 4.527 -0.002 0.000 0.300 127 F C 2.194 177.911 175.800 -0.139 0.000 1.090 127 F CA 1.452 59.388 58.000 -0.107 0.000 1.408 127 F CB -1.263 37.659 39.000 -0.130 0.000 1.060 127 F HN 0.081 nan 8.300 nan 0.000 0.534 128 D N -0.638 119.781 120.400 0.032 0.000 2.084 128 D HA -0.138 4.501 4.640 -0.003 0.000 0.196 128 D C 2.198 178.430 176.300 -0.113 0.000 0.985 128 D CA 1.106 55.090 54.000 -0.027 0.000 0.826 128 D CB -0.044 40.725 40.800 -0.050 0.000 0.978 128 D HN 0.136 nan 8.370 nan 0.000 0.456 129 Q N -0.757 118.949 119.800 -0.156 0.000 2.364 129 Q HA -0.050 4.289 4.340 -0.003 0.000 0.207 129 Q C 0.128 175.684 176.000 -0.740 0.000 0.970 129 Q CA 0.733 56.346 55.803 -0.316 0.000 0.888 129 Q CB 0.222 28.846 28.738 -0.189 0.000 0.951 129 Q HN 0.388 nan 8.270 nan 0.000 0.469 130 F N 0.268 119.946 119.950 -0.454 0.000 2.619 130 F HA 0.283 4.808 4.527 -0.003 0.000 0.382 130 F C -1.818 173.691 175.800 -0.484 0.000 1.466 130 F CA -2.345 55.329 58.000 -0.545 0.000 1.137 130 F CB 1.006 39.593 39.000 -0.687 0.000 1.205 130 F HN -0.090 nan 8.300 nan 0.000 0.525 131 P HA -0.118 nan 4.420 nan 0.000 0.242 131 P C 0.248 177.410 177.300 -0.230 0.000 1.198 131 P CA 1.040 64.046 63.100 -0.157 0.000 0.756 131 P CB -0.050 31.572 31.700 -0.129 0.000 0.911 132 E N -1.929 118.013 120.200 -0.431 0.000 2.476 132 E HA -0.015 4.333 4.350 -0.003 0.000 0.191 132 E C 0.452 176.737 176.600 -0.525 0.000 1.064 132 E CA 0.357 56.480 56.400 -0.462 0.000 0.866 132 E CB -0.396 28.948 29.700 -0.593 0.000 0.952 132 E HN 0.371 nan 8.360 nan 0.000 0.492 133 Y N -1.125 119.208 120.300 0.054 0.000 2.481 133 Y HA 0.090 4.639 4.550 -0.003 0.000 0.258 133 Y C 1.522 177.369 175.900 -0.089 0.000 1.103 133 Y CA -0.300 57.832 58.100 0.054 0.000 1.287 133 Y CB 0.122 38.722 38.460 0.235 0.000 1.108 133 Y HN -0.057 nan 8.280 nan 0.000 0.529 134 V N 0.041 119.914 119.914 -0.068 0.000 3.114 134 V HA -0.045 4.074 4.120 -0.003 0.000 0.202 134 V C 1.741 177.814 176.094 -0.036 0.000 1.211 134 V CA 0.650 62.882 62.300 -0.113 0.000 1.339 134 V CB -1.104 30.572 31.823 -0.244 0.000 1.128 134 V HN 0.265 nan 8.190 nan 0.000 0.502 135 N N 1.604 120.277 118.700 -0.044 0.000 1.527 135 N HA -0.387 4.351 4.740 -0.003 0.000 0.117 135 N C 1.109 176.619 175.510 -0.000 0.000 0.416 135 N CA 2.458 55.494 53.050 -0.023 0.000 0.788 135 N CB -1.336 37.132 38.487 -0.031 0.000 0.654 135 N HN 0.418 nan 8.380 nan 0.000 1.399 136 K N 0.777 121.183 120.400 0.011 0.000 2.444 136 K HA 0.012 4.331 4.320 -0.003 0.000 0.200 136 K C 1.207 177.835 176.600 0.046 0.000 1.045 136 K CA 1.147 57.454 56.287 0.033 0.000 0.934 136 K CB -1.248 31.285 32.500 0.054 0.000 0.756 136 K HN 0.797 nan 8.250 nan 0.000 0.477 137 G N 1.836 110.661 108.800 0.041 0.000 2.401 137 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.283 137 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.283 137 G C -0.757 174.193 174.900 0.084 0.000 1.117 137 G CA -0.133 44.998 45.100 0.052 0.000 1.051 137 G HN 0.385 nan 8.290 nan 0.000 0.510 138 Q N 0.624 120.480 119.800 0.095 0.000 2.349 138 Q HA 0.356 4.695 4.340 -0.003 0.000 0.254 138 Q C -0.242 175.868 176.000 0.184 0.000 0.980 138 Q CA -0.801 55.089 55.803 0.144 0.000 0.924 138 Q CB 0.976 29.817 28.738 0.170 0.000 1.209 138 Q HN 0.398 nan 8.270 nan 0.000 0.445 139 D N 2.237 122.768 120.400 0.218 0.000 2.662 139 D HA -0.111 4.528 4.640 -0.003 0.000 0.233 139 D C -1.015 175.562 176.300 0.462 0.000 1.129 139 D CA 0.791 54.964 54.000 0.287 0.000 0.851 139 D CB 0.169 41.188 40.800 0.364 0.000 1.152 139 D HN 0.255 nan 8.370 nan 0.000 0.507 140 F N 4.257 124.352 119.950 0.242 0.000 2.427 140 F HA 0.356 4.881 4.527 -0.003 0.000 0.346 140 F C -0.246 175.788 175.800 0.391 0.000 1.120 140 F CA -0.831 57.368 58.000 0.333 0.000 1.033 140 F CB 0.687 39.860 39.000 0.289 0.000 1.126 140 F HN 0.371 nan 8.300 nan 0.000 0.462 141 H N 5.475 124.359 119.070 -0.309 0.000 2.894 141 H HA 0.675 5.229 4.556 -0.003 0.000 0.368 141 H C -1.071 173.890 175.328 -0.611 0.000 1.181 141 H CA -1.357 54.425 56.048 -0.444 0.000 1.146 141 H CB 2.771 32.538 29.762 0.008 0.000 1.839 141 H HN 0.433 nan 8.280 nan 0.000 0.557 142 I N 0.854 121.287 120.570 -0.230 0.000 2.646 142 I HA 0.650 4.819 4.170 -0.003 0.000 0.299 142 I C -0.424 175.709 176.117 0.028 0.000 1.036 142 I CA -0.657 60.589 61.300 -0.089 0.000 1.074 142 I CB 2.088 40.046 38.000 -0.069 0.000 1.258 142 I HN 0.710 nan 8.210 nan 0.000 0.430 143 A N 3.080 125.934 122.820 0.057 0.000 2.594 143 A HA 1.023 5.341 4.320 -0.003 0.000 0.291 143 A C -0.603 176.790 177.584 -0.319 0.000 1.105 143 A CA -0.257 51.809 52.037 0.047 0.000 0.694 143 A CB 1.903 21.091 19.000 0.314 0.000 1.291 143 A HN 1.002 nan 8.150 nan 0.000 0.410 144 G N -1.652 106.866 108.800 -0.470 0.000 2.342 144 G HA2 0.797 4.755 3.960 -0.003 0.000 0.297 144 G HA3 0.797 4.755 3.960 -0.003 0.000 0.297 144 G C -0.959 173.592 174.900 -0.582 0.000 1.313 144 G CA 0.423 44.945 45.100 -0.963 0.000 0.830 144 G HN 2.166 nan 8.290 nan 0.000 0.506 145 A N -1.113 121.391 122.820 -0.528 0.000 2.566 145 A HA 1.068 5.387 4.320 -0.003 0.000 0.292 145 A C 0.897 178.336 177.584 -0.243 0.000 1.112 145 A CA 0.826 52.657 52.037 -0.344 0.000 0.707 145 A CB 0.932 19.772 19.000 -0.266 0.000 1.302 145 A HN 2.851 nan 8.150 nan 0.000 0.409 146 S N -0.148 115.432 115.700 -0.200 0.000 4.150 146 S HA -0.432 4.036 4.470 -0.003 0.000 0.575 146 S C 1.123 175.597 174.600 -0.209 0.000 1.878 146 S CA 2.103 60.258 58.200 -0.074 0.000 4.245 146 S CB -1.716 61.570 63.200 0.143 0.000 0.231 146 S HN 1.962 nan 8.310 nan 0.000 0.469 147 Y N 3.087 123.147 120.300 -0.399 0.000 2.333 147 Y HA 0.251 4.799 4.550 -0.002 0.000 0.290 147 Y C 2.940 178.366 175.900 -0.790 0.000 1.144 147 Y CA 1.833 59.518 58.100 -0.692 0.000 1.228 147 Y CB -0.990 36.964 38.460 -0.843 0.000 0.985 147 Y HN 0.784 nan 8.280 nan 0.000 0.542 148 A N -0.588 121.954 122.820 -0.464 0.000 2.225 148 A HA -0.057 4.261 4.320 -0.003 0.000 0.215 148 A C 2.291 179.643 177.584 -0.387 0.000 1.164 148 A CA 1.280 53.102 52.037 -0.359 0.000 0.710 148 A CB -1.289 17.593 19.000 -0.197 0.000 0.780 148 A HN 0.490 nan 8.150 nan 0.000 0.473 149 G N -2.580 105.980 108.800 -0.400 0.000 2.920 149 G HA2 0.155 4.113 3.960 -0.003 0.000 0.208 149 G HA3 0.155 4.113 3.960 -0.003 0.000 0.208 149 G C 1.062 175.758 174.900 -0.341 0.000 1.159 149 G CA 0.612 45.529 45.100 -0.306 0.000 0.784 149 G HN 0.630 nan 8.290 nan 0.000 0.535 150 H N -1.600 117.043 119.070 -0.712 0.000 2.393 150 H HA 0.218 4.773 4.556 -0.003 0.000 0.301 150 H C 1.922 176.805 175.328 -0.742 0.000 1.019 150 H CA 0.166 55.751 56.048 -0.772 0.000 1.311 150 H CB -0.038 29.040 29.762 -1.139 0.000 1.475 150 H HN 0.166 nan 8.280 nan 0.000 0.572 151 Y N 1.031 120.945 120.300 -0.643 0.000 2.030 151 Y HA -0.225 4.324 4.550 -0.003 0.000 0.274 151 Y C 2.569 177.770 175.900 -1.165 0.000 1.153 151 Y CA 1.186 58.564 58.100 -1.204 0.000 1.115 151 Y CB -1.147 36.502 38.460 -1.352 0.000 0.969 151 Y HN 0.128 nan 8.280 nan 0.000 0.488 152 I N -0.007 120.259 120.570 -0.507 0.000 2.074 152 I HA -0.342 3.826 4.170 -0.003 0.000 0.238 152 I C -0.419 175.603 176.117 -0.158 0.000 1.037 152 I CA 2.121 63.252 61.300 -0.281 0.000 1.301 152 I CB -1.719 36.166 38.000 -0.192 0.000 1.016 152 I HN 0.198 nan 8.210 nan 0.000 0.400 153 P HA -0.091 nan 4.420 nan 0.000 0.215 153 P C 2.029 179.317 177.300 -0.021 0.000 1.157 153 P CA 1.241 64.294 63.100 -0.077 0.000 0.863 153 P CB -0.072 31.573 31.700 -0.091 0.000 0.787 154 V N -0.740 119.134 119.914 -0.066 0.000 2.332 154 V HA -0.255 3.864 4.120 -0.003 0.000 0.248 154 V C 2.347 178.609 176.094 0.281 0.000 1.055 154 V CA 1.828 64.164 62.300 0.060 0.000 1.038 154 V CB -1.519 30.271 31.823 -0.054 0.000 0.651 154 V HN -0.046 nan 8.190 nan 0.000 0.450 155 F N 0.863 120.805 119.950 -0.013 0.000 2.171 155 F HA -0.099 4.426 4.527 -0.003 0.000 0.300 155 F C 2.460 178.285 175.800 0.041 0.000 1.090 155 F CA 0.796 58.805 58.000 0.015 0.000 1.293 155 F CB -1.606 37.400 39.000 0.009 0.000 1.013 155 F HN 0.143 nan 8.300 nan 0.000 0.486 156 A N -0.485 122.481 122.820 0.245 0.000 1.858 156 A HA -0.197 4.122 4.320 -0.003 0.000 0.216 156 A C 2.555 180.197 177.584 0.097 0.000 1.190 156 A CA 2.108 54.230 52.037 0.141 0.000 0.617 156 A CB -1.266 17.777 19.000 0.071 0.000 0.827 156 A HN 0.296 nan 8.150 nan 0.000 0.443 157 S N -0.806 114.940 115.700 0.076 0.000 2.359 157 S HA -0.243 4.225 4.470 -0.003 0.000 0.223 157 S C 2.014 176.636 174.600 0.036 0.000 1.039 157 S CA 1.897 60.122 58.200 0.042 0.000 1.042 157 S CB -0.387 62.837 63.200 0.040 0.000 0.915 157 S HN 0.676 nan 8.310 nan 0.000 0.439 158 E N 1.357 121.585 120.200 0.048 0.000 2.055 158 E HA -0.198 4.150 4.350 -0.003 0.000 0.209 158 E C 1.889 178.439 176.600 -0.084 0.000 1.036 158 E CA 1.866 58.262 56.400 -0.006 0.000 0.849 158 E CB -0.547 29.145 29.700 -0.012 0.000 0.767 158 E HN 0.577 nan 8.360 nan 0.000 0.461 159 I N -0.034 120.543 120.570 0.012 0.000 2.226 159 I HA -0.228 3.941 4.170 -0.003 0.000 0.245 159 I C 1.645 177.766 176.117 0.007 0.000 1.100 159 I CA 1.522 62.840 61.300 0.030 0.000 1.374 159 I CB -0.369 37.833 38.000 0.337 0.000 1.057 159 I HN 0.148 nan 8.210 nan 0.000 0.413 160 L N 0.979 122.227 121.223 0.043 0.000 2.749 160 L HA -0.072 4.266 4.340 -0.003 0.000 0.245 160 L C 2.323 179.210 176.870 0.029 0.000 1.156 160 L CA 0.129 54.987 54.840 0.030 0.000 0.890 160 L CB -0.638 41.433 42.059 0.019 0.000 1.036 160 L HN 0.275 nan 8.230 nan 0.000 0.441 161 S N -1.875 113.865 115.700 0.068 0.000 2.404 161 S HA 0.010 4.478 4.470 -0.003 0.000 0.223 161 S C 0.585 175.208 174.600 0.038 0.000 1.040 161 S CA 0.130 58.369 58.200 0.065 0.000 0.957 161 S CB 0.027 63.252 63.200 0.041 0.000 0.826 161 S HN 0.422 nan 8.310 nan 0.000 0.491 162 H N 1.549 120.493 119.070 -0.211 0.000 2.646 162 H HA 0.342 4.897 4.556 -0.003 0.000 0.325 162 H C 0.971 176.259 175.328 -0.068 0.000 1.075 162 H CA -0.092 55.873 56.048 -0.138 0.000 1.421 162 H CB 0.657 30.346 29.762 -0.121 0.000 1.461 162 H HN 0.026 nan 8.280 nan 0.000 0.525 163 K N 1.687 122.115 120.400 0.046 0.000 2.334 163 K HA -0.044 4.275 4.320 -0.003 0.000 0.195 163 K C 0.895 177.522 176.600 0.044 0.000 1.045 163 K CA 0.249 56.550 56.287 0.023 0.000 1.004 163 K CB 0.469 32.964 32.500 -0.007 0.000 0.837 163 K HN 0.538 nan 8.250 nan 0.000 0.510 164 D N 2.212 122.661 120.400 0.081 0.000 2.271 164 D HA -0.134 4.504 4.640 -0.003 0.000 0.207 164 D C 0.395 176.766 176.300 0.119 0.000 0.983 164 D CA 0.529 54.596 54.000 0.111 0.000 0.878 164 D CB -0.059 40.855 40.800 0.191 0.000 0.920 164 D HN 0.226 nan 8.370 nan 0.000 0.479 165 R N 1.230 121.802 120.500 0.119 0.000 2.478 165 R HA -0.129 4.210 4.340 -0.003 0.000 0.281 165 R C 0.798 177.065 176.300 -0.055 0.000 0.939 165 R CA 0.597 56.691 56.100 -0.010 0.000 1.120 165 R CB -0.067 30.133 30.300 -0.166 0.000 0.885 165 R HN 0.030 nan 8.270 nan 0.000 0.415 166 N N 2.999 121.655 118.700 -0.074 0.000 2.398 166 N HA -0.017 4.721 4.740 -0.003 0.000 0.188 166 N C -0.769 174.886 175.510 0.243 0.000 1.122 166 N CA 0.003 53.115 53.050 0.103 0.000 0.866 166 N CB -0.012 38.592 38.487 0.196 0.000 0.970 166 N HN 0.611 nan 8.380 nan 0.000 0.462 167 F N -2.246 117.735 119.950 0.052 0.000 2.817 167 F HA 0.522 5.048 4.527 -0.003 0.000 0.317 167 F C -1.456 174.391 175.800 0.078 0.000 1.168 167 F CA -1.390 56.597 58.000 -0.022 0.000 0.911 167 F CB 0.446 39.375 39.000 -0.119 0.000 1.337 167 F HN -0.343 nan 8.300 nan 0.000 0.464 168 N N 1.132 119.984 118.700 0.253 0.000 2.314 168 N HA 0.565 5.304 4.740 -0.003 0.000 0.304 168 N C -1.960 173.821 175.510 0.451 0.000 1.073 168 N CA -0.500 52.685 53.050 0.225 0.000 0.822 168 N CB 2.658 41.216 38.487 0.119 0.000 1.280 168 N HN 0.817 nan 8.380 nan 0.000 0.489 169 L N 1.671 123.092 121.223 0.329 0.000 2.289 169 L HA 0.442 4.781 4.340 -0.003 0.000 0.285 169 L C 0.991 177.852 176.870 -0.016 0.000 1.049 169 L CA 0.144 55.119 54.840 0.225 0.000 0.804 169 L CB 1.160 43.316 42.059 0.162 0.000 1.195 169 L HN 0.602 nan 8.230 nan 0.000 0.428 170 T N 0.307 114.754 114.554 -0.179 0.000 3.015 170 T HA 0.294 4.642 4.350 -0.003 0.000 0.250 170 T C 0.424 174.834 174.700 -0.483 0.000 1.057 170 T CA 0.447 62.332 62.100 -0.358 0.000 1.066 170 T CB -0.120 68.504 68.868 -0.408 0.000 0.959 170 T HN 0.732 nan 8.240 nan 0.000 0.488 171 S N 0.437 115.910 115.700 -0.380 0.000 2.656 171 S HA 0.607 5.075 4.470 -0.003 0.000 0.265 171 S C -1.868 172.777 174.600 0.074 0.000 1.132 171 S CA -0.438 57.724 58.200 -0.065 0.000 0.819 171 S CB 1.382 64.723 63.200 0.235 0.000 1.119 171 S HN 0.847 nan 8.310 nan 0.000 0.476 172 V N -0.793 119.232 119.914 0.185 0.000 2.888 172 V HA 0.884 5.002 4.120 -0.003 0.000 0.309 172 V C -1.830 174.273 176.094 0.015 0.000 1.114 172 V CA -0.931 61.428 62.300 0.098 0.000 0.940 172 V CB 1.197 33.037 31.823 0.028 0.000 1.021 172 V HN 0.979 nan 8.190 nan 0.000 0.426 173 L N 5.122 126.355 121.223 0.016 0.000 2.325 173 L HA 0.681 5.020 4.340 -0.003 0.000 0.281 173 L C -0.545 176.347 176.870 0.036 0.000 1.004 173 L CA -0.233 54.608 54.840 0.003 0.000 0.823 173 L CB 1.746 43.850 42.059 0.076 0.000 1.236 173 L HN 0.614 nan 8.230 nan 0.000 0.415 174 I N 2.264 122.804 120.570 -0.050 0.000 2.382 174 I HA 0.623 4.792 4.170 -0.003 0.000 0.286 174 I C 0.347 176.091 176.117 -0.622 0.000 1.002 174 I CA -0.000 61.172 61.300 -0.213 0.000 1.135 174 I CB 1.707 39.639 38.000 -0.112 0.000 1.288 174 I HN 0.685 nan 8.210 nan 0.000 0.448 175 G N 3.105 111.380 108.800 -0.875 0.000 2.420 175 G HA2 0.334 4.292 3.960 -0.003 0.000 0.331 175 G HA3 0.334 4.292 3.960 -0.003 0.000 0.331 175 G C -0.257 174.276 174.900 -0.611 0.000 1.168 175 G CA -0.704 43.544 45.100 -1.420 0.000 0.936 175 G HN 0.706 nan 8.290 nan 0.000 0.479 176 N N -0.916 117.524 118.700 -0.432 0.000 2.702 176 N HA -0.146 4.593 4.740 -0.003 0.000 0.261 176 N C 0.544 175.938 175.510 -0.194 0.000 0.965 176 N CA 1.119 54.017 53.050 -0.253 0.000 0.795 176 N CB -0.551 37.770 38.487 -0.277 0.000 0.909 176 N HN 0.875 nan 8.380 nan 0.000 0.546 177 G N -0.756 107.956 108.800 -0.146 0.000 2.434 177 G HA2 0.643 4.601 3.960 -0.003 0.000 0.330 177 G HA3 0.643 4.601 3.960 -0.003 0.000 0.330 177 G C -0.803 174.043 174.900 -0.089 0.000 1.155 177 G CA -0.697 44.323 45.100 -0.133 0.000 0.917 177 G HN 0.212 nan 8.290 nan 0.000 0.493 178 L N 1.221 122.352 121.223 -0.153 0.000 2.276 178 L HA 0.608 4.947 4.340 -0.003 0.000 0.286 178 L C 0.748 177.506 176.870 -0.187 0.000 1.024 178 L CA -0.016 54.739 54.840 -0.141 0.000 0.826 178 L CB 1.604 43.547 42.059 -0.193 0.000 1.211 178 L HN 0.569 nan 8.230 nan 0.000 0.422 179 T N 1.455 115.793 114.554 -0.360 0.000 3.176 179 T HA 0.134 4.482 4.350 -0.003 0.000 0.259 179 T C -0.317 173.949 174.700 -0.722 0.000 0.978 179 T CA 0.411 62.136 62.100 -0.625 0.000 1.050 179 T CB 0.274 68.615 68.868 -0.879 0.000 1.136 179 T HN 0.577 nan 8.240 nan 0.000 0.465 180 D N 3.064 122.949 120.400 -0.858 0.000 2.517 180 D HA 0.279 4.917 4.640 -0.003 0.000 0.301 180 D C -1.582 174.574 176.300 -0.240 0.000 1.202 180 D CA -2.143 51.449 54.000 -0.680 0.000 0.910 180 D CB 1.242 41.468 40.800 -0.957 0.000 1.021 180 D HN -0.012 nan 8.370 nan 0.000 0.499 181 P HA -0.252 nan 4.420 nan 0.000 0.218 181 P C 1.658 179.043 177.300 0.141 0.000 1.152 181 P CA 0.681 63.904 63.100 0.206 0.000 0.857 181 P CB 0.302 32.110 31.700 0.180 0.000 0.787 182 L N -0.667 120.516 121.223 -0.066 0.000 2.042 182 L HA -0.109 4.229 4.340 -0.003 0.000 0.210 182 L C 2.170 179.048 176.870 0.014 0.000 1.076 182 L CA 2.359 57.105 54.840 -0.158 0.000 0.749 182 L CB -1.424 40.465 42.059 -0.283 0.000 0.893 182 L HN -0.070 nan 8.230 nan 0.000 0.432 183 T N -1.024 113.564 114.554 0.056 0.000 2.901 183 T HA -0.074 4.275 4.350 -0.003 0.000 0.252 183 T C 1.739 176.572 174.700 0.223 0.000 1.035 183 T CA 1.090 63.272 62.100 0.137 0.000 1.142 183 T CB -0.065 68.891 68.868 0.147 0.000 0.869 183 T HN 0.470 nan 8.240 nan 0.000 0.442 184 Q N 0.323 120.223 119.800 0.166 0.000 2.096 184 Q HA -0.164 4.175 4.340 -0.003 0.000 0.204 184 Q C 1.871 177.888 176.000 0.029 0.000 0.982 184 Q CA 1.534 57.405 55.803 0.115 0.000 0.850 184 Q CB -0.670 28.057 28.738 -0.017 0.000 0.901 184 Q HN 0.530 nan 8.270 nan 0.000 0.422 185 Y N 2.540 122.836 120.300 -0.006 0.000 2.332 185 Y HA -0.247 4.301 4.550 -0.003 0.000 0.283 185 Y C 1.830 177.732 175.900 0.003 0.000 1.186 185 Y CA 1.725 59.864 58.100 0.064 0.000 1.266 185 Y CB -0.385 38.164 38.460 0.149 0.000 0.973 185 Y HN 0.371 nan 8.280 nan 0.000 0.548 186 N N -2.092 116.583 118.700 -0.042 0.000 2.412 186 N HA -0.104 4.635 4.740 -0.003 0.000 0.184 186 N C 0.451 175.657 175.510 -0.506 0.000 1.101 186 N CA 0.358 53.259 53.050 -0.249 0.000 0.881 186 N CB -0.367 37.892 38.487 -0.380 0.000 0.969 186 N HN 0.382 nan 8.380 nan 0.000 0.459 187 Y N 0.049 120.200 120.300 -0.249 0.000 2.553 187 Y HA 0.054 4.602 4.550 -0.002 0.000 0.303 187 Y C 1.257 176.939 175.900 -0.363 0.000 1.194 187 Y CA 0.099 58.003 58.100 -0.327 0.000 1.305 187 Y CB -0.379 37.853 38.460 -0.380 0.000 1.045 187 Y HN 0.015 nan 8.280 nan 0.000 0.514 188 Y N 0.114 120.377 120.300 -0.062 0.000 2.130 188 Y HA -0.189 4.359 4.550 -0.002 0.000 0.287 188 Y C 2.550 178.544 175.900 0.157 0.000 1.124 188 Y CA 1.376 59.462 58.100 -0.023 0.000 1.118 188 Y CB -0.555 37.872 38.460 -0.056 0.000 0.994 188 Y HN 0.083 nan 8.280 nan 0.000 0.497 189 E N 0.245 120.602 120.200 0.263 0.000 2.038 189 E HA -0.187 4.161 4.350 -0.003 0.000 0.195 189 E C -0.681 176.019 176.600 0.166 0.000 1.000 189 E CA 1.623 58.144 56.400 0.200 0.000 0.803 189 E CB -1.412 28.358 29.700 0.116 0.000 0.750 189 E HN 0.227 nan 8.360 nan 0.000 0.448 190 P HA -0.151 nan 4.420 nan 0.000 0.215 190 P C 1.706 179.105 177.300 0.165 0.000 1.157 190 P CA 1.774 64.942 63.100 0.112 0.000 0.874 190 P CB -0.327 31.427 31.700 0.091 0.000 0.790 191 M N -0.388 119.321 119.600 0.183 0.000 2.213 191 M HA -0.053 4.426 4.480 -0.003 0.000 0.263 191 M C 1.680 178.168 176.300 0.313 0.000 1.062 191 M CA 1.814 57.259 55.300 0.242 0.000 1.105 191 M CB -1.093 31.641 32.600 0.224 0.000 1.385 191 M HN -0.140 nan 8.290 nan 0.000 0.417 192 A N -1.874 121.146 122.820 0.335 0.000 2.267 192 A HA 0.142 4.460 4.320 -0.003 0.000 0.213 192 A C 1.155 178.845 177.584 0.176 0.000 1.192 192 A CA 0.437 52.630 52.037 0.260 0.000 0.851 192 A CB -0.563 18.570 19.000 0.221 0.000 0.881 192 A HN 0.596 nan 8.150 nan 0.000 0.494 193 c N -0.052 118.645 118.600 0.162 0.000 2.422 193 c HA 0.575 5.143 4.570 -0.003 0.000 0.301 193 c C 1.543 175.699 174.090 0.110 0.000 1.444 193 c CA -0.385 56.013 56.329 0.116 0.000 1.771 193 c CB -1.281 41.286 42.510 0.095 0.000 2.834 193 c HN 1.015 nan 8.230 nan 0.000 0.545 194 G N 1.853 110.728 108.800 0.125 0.000 2.176 194 G HA2 -0.218 3.741 3.960 -0.003 0.000 0.252 194 G HA3 -0.218 3.741 3.960 -0.003 0.000 0.252 194 G C 0.148 175.126 174.900 0.129 0.000 1.024 194 G CA 0.368 45.538 45.100 0.118 0.000 0.755 194 G HN 0.751 nan 8.290 nan 0.000 0.507 195 E N -0.749 119.545 120.200 0.157 0.000 2.624 195 E HA 0.390 4.739 4.350 -0.003 0.000 0.210 195 E C 1.447 178.192 176.600 0.242 0.000 0.997 195 E CA 0.298 56.801 56.400 0.172 0.000 0.999 195 E CB 1.036 30.825 29.700 0.149 0.000 1.040 195 E HN 0.559 nan 8.360 nan 0.000 0.469 196 G N 0.345 109.323 108.800 0.296 0.000 4.165 196 G HA2 0.439 4.398 3.960 -0.003 0.000 0.287 196 G HA3 0.439 4.398 3.960 -0.003 0.000 0.287 196 G C 0.561 175.740 174.900 0.465 0.000 1.019 196 G CA 0.195 45.596 45.100 0.502 0.000 0.806 196 G HN 0.358 nan 8.290 nan 0.000 0.447 197 G N 0.421 109.376 108.800 0.259 0.000 1.676 197 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.199 197 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.199 197 G C -0.080 174.888 174.900 0.114 0.000 1.990 197 G CA -0.197 44.981 45.100 0.131 0.000 1.393 197 G HN 0.382 nan 8.290 nan 0.000 0.449 198 E N 3.059 123.337 120.200 0.131 0.000 2.442 198 E HA 0.451 4.799 4.350 -0.003 0.000 0.260 198 E C -1.859 174.814 176.600 0.121 0.000 1.148 198 E CA -0.156 56.313 56.400 0.116 0.000 0.976 198 E CB 0.607 30.378 29.700 0.120 0.000 0.967 198 E HN 0.371 nan 8.360 nan 0.000 0.454 199 P HA 0.102 nan 4.420 nan 0.000 0.285 199 P C -0.986 176.366 177.300 0.086 0.000 1.280 199 P CA -0.666 62.485 63.100 0.086 0.000 0.862 199 P CB 1.335 33.071 31.700 0.060 0.000 1.153 200 S N 0.239 115.986 115.700 0.079 0.000 2.931 200 S HA -0.040 4.429 4.470 -0.003 0.000 0.342 200 S C 1.070 175.698 174.600 0.047 0.000 1.220 200 S CA 0.002 58.245 58.200 0.071 0.000 1.045 200 S CB -0.710 62.525 63.200 0.058 0.000 0.758 200 S HN 0.350 nan 8.310 nan 0.000 0.508 201 V N 3.644 123.585 119.914 0.045 0.000 3.578 201 V HA 0.560 4.678 4.120 -0.003 0.000 0.290 201 V C -0.047 176.020 176.094 -0.044 0.000 1.376 201 V CA -0.013 62.281 62.300 -0.011 0.000 1.083 201 V CB -0.234 31.555 31.823 -0.057 0.000 0.911 201 V HN 0.617 nan 8.190 nan 0.000 0.433 202 L N 1.388 122.606 121.223 -0.008 0.000 2.401 202 L HA 0.770 5.109 4.340 -0.003 0.000 0.266 202 L C -2.549 174.319 176.870 -0.003 0.000 0.991 202 L CA -1.727 53.100 54.840 -0.021 0.000 0.818 202 L CB 2.567 44.626 42.059 0.001 0.000 1.321 202 L HN -0.033 nan 8.230 nan 0.000 0.413 203 P HA 0.230 nan 4.420 nan 0.000 0.270 203 P C 0.221 177.526 177.300 0.008 0.000 1.223 203 P CA 0.030 63.128 63.100 -0.003 0.000 0.785 203 P CB 0.598 32.292 31.700 -0.009 0.000 0.923 204 S N 0.569 116.276 115.700 0.012 0.000 2.442 204 S HA -0.202 4.267 4.470 -0.003 0.000 0.236 204 S C 1.759 176.370 174.600 0.018 0.000 1.007 204 S CA 1.336 59.547 58.200 0.019 0.000 0.965 204 S CB -0.807 62.405 63.200 0.020 0.000 0.773 204 S HN 0.581 nan 8.310 nan 0.000 0.504 205 E N 0.110 120.317 120.200 0.011 0.000 2.107 205 E HA -0.101 4.248 4.350 -0.003 0.000 0.191 205 E C 1.847 178.454 176.600 0.011 0.000 0.982 205 E CA 0.543 56.949 56.400 0.010 0.000 0.809 205 E CB 0.051 29.753 29.700 0.003 0.000 0.756 205 E HN 0.675 nan 8.360 nan 0.000 0.459 206 E N -0.013 120.192 120.200 0.008 0.000 2.047 206 E HA -0.165 4.183 4.350 -0.003 0.000 0.191 206 E C 2.305 178.922 176.600 0.028 0.000 0.987 206 E CA 0.959 57.365 56.400 0.011 0.000 0.799 206 E CB -0.091 29.609 29.700 -0.001 0.000 0.752 206 E HN 0.360 nan 8.360 nan 0.000 0.449 207 c N 0.367 118.987 118.600 0.034 0.000 2.398 207 c HA -0.140 4.428 4.570 -0.003 0.000 0.276 207 c C 3.038 177.154 174.090 0.044 0.000 1.222 207 c CA 0.920 57.278 56.329 0.048 0.000 1.746 207 c CB -1.054 41.487 42.510 0.052 0.000 2.039 207 c HN 0.386 nan 8.230 nan 0.000 0.470 208 S N 0.045 115.765 115.700 0.034 0.000 2.399 208 S HA -0.064 4.405 4.470 -0.003 0.000 0.231 208 S C 2.061 176.681 174.600 0.034 0.000 1.022 208 S CA 1.161 59.380 58.200 0.032 0.000 0.983 208 S CB -0.315 62.900 63.200 0.025 0.000 0.803 208 S HN 0.646 nan 8.310 nan 0.000 0.480 209 A N 1.526 124.364 122.820 0.031 0.000 1.908 209 A HA -0.124 4.194 4.320 -0.003 0.000 0.218 209 A C 2.135 179.743 177.584 0.041 0.000 1.181 209 A CA 1.704 53.758 52.037 0.029 0.000 0.627 209 A CB -0.623 18.387 19.000 0.018 0.000 0.818 209 A HN 0.602 nan 8.150 nan 0.000 0.445 210 M N -0.994 118.638 119.600 0.052 0.000 2.080 210 M HA -0.206 4.273 4.480 -0.003 0.000 0.260 210 M C 2.042 178.386 176.300 0.073 0.000 1.068 210 M CA 1.947 57.291 55.300 0.073 0.000 1.109 210 M CB -0.670 31.990 32.600 0.100 0.000 1.342 210 M HN 0.456 nan 8.290 nan 0.000 0.405 211 E N 0.478 120.713 120.200 0.058 0.000 2.160 211 E HA -0.194 4.155 4.350 -0.003 0.000 0.195 211 E C 1.591 178.220 176.600 0.049 0.000 0.991 211 E CA 1.072 57.500 56.400 0.047 0.000 0.810 211 E CB -0.053 29.667 29.700 0.034 0.000 0.742 211 E HN 0.474 nan 8.360 nan 0.000 0.466 212 D N 0.099 120.530 120.400 0.052 0.000 2.091 212 D HA -0.111 4.528 4.640 -0.003 0.000 0.199 212 D C 2.234 178.583 176.300 0.082 0.000 0.980 212 D CA 1.437 55.470 54.000 0.055 0.000 0.831 212 D CB -0.487 40.341 40.800 0.047 0.000 0.987 212 D HN 0.166 nan 8.370 nan 0.000 0.460 213 S N 0.745 116.507 115.700 0.104 0.000 2.462 213 S HA -0.144 4.325 4.470 -0.003 0.000 0.243 213 S C 1.919 176.643 174.600 0.205 0.000 1.003 213 S CA 0.867 59.172 58.200 0.174 0.000 0.970 213 S CB -0.477 62.783 63.200 0.100 0.000 0.762 213 S HN 0.121 nan 8.310 nan 0.000 0.510 214 L N 0.806 122.105 121.223 0.128 0.000 1.988 214 L HA -0.029 4.309 4.340 -0.003 0.000 0.207 214 L C 2.225 179.137 176.870 0.071 0.000 1.071 214 L CA 2.325 57.233 54.840 0.112 0.000 0.744 214 L CB -0.649 41.462 42.059 0.087 0.000 0.893 214 L HN 0.504 nan 8.230 nan 0.000 0.433 215 E N -0.215 120.008 120.200 0.037 0.000 2.068 215 E HA -0.401 3.947 4.350 -0.003 0.000 0.207 215 E C 2.394 178.974 176.600 -0.033 0.000 1.032 215 E CA 2.111 58.512 56.400 0.001 0.000 0.839 215 E CB -0.256 29.444 29.700 -0.000 0.000 0.758 215 E HN 0.429 nan 8.360 nan 0.000 0.457 216 R N 0.143 120.616 120.500 -0.045 0.000 2.159 216 R HA -0.164 4.174 4.340 -0.003 0.000 0.237 216 R C 2.537 178.683 176.300 -0.256 0.000 1.131 216 R CA 1.695 57.687 56.100 -0.180 0.000 0.982 216 R CB -0.680 29.462 30.300 -0.264 0.000 0.868 216 R HN 0.428 nan 8.270 nan 0.000 0.453 217 c N -0.700 117.878 118.600 -0.037 0.000 2.504 217 c HA 0.224 4.792 4.570 -0.003 0.000 0.279 217 c C 2.185 176.229 174.090 -0.077 0.000 1.358 217 c CA -0.239 56.094 56.329 0.006 0.000 1.747 217 c CB -0.785 41.911 42.510 0.311 0.000 2.037 217 c HN 0.588 nan 8.230 nan 0.000 0.503 218 L N 1.723 122.911 121.223 -0.058 0.000 2.141 218 L HA 0.134 4.472 4.340 -0.003 0.000 0.209 218 L C 2.920 179.708 176.870 -0.137 0.000 1.094 218 L CA 1.607 56.387 54.840 -0.100 0.000 0.763 218 L CB -1.149 40.875 42.059 -0.057 0.000 0.908 218 L HN 0.531 nan 8.230 nan 0.000 0.437 219 G N -0.013 108.714 108.800 -0.122 0.000 2.448 219 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.218 219 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.218 219 G C 1.669 176.487 174.900 -0.137 0.000 1.135 219 G CA 0.179 45.209 45.100 -0.116 0.000 0.784 219 G HN 0.191 nan 8.290 nan 0.000 0.543 220 L N -0.123 121.000 121.223 -0.167 0.000 2.056 220 L HA 0.013 4.352 4.340 -0.003 0.000 0.207 220 L C 2.810 179.572 176.870 -0.180 0.000 1.078 220 L CA 0.664 55.408 54.840 -0.160 0.000 0.749 220 L CB -0.256 41.694 42.059 -0.181 0.000 0.901 220 L HN 0.211 nan 8.230 nan 0.000 0.433 221 I N -0.117 120.303 120.570 -0.251 0.000 2.127 221 I HA -0.352 3.817 4.170 -0.003 0.000 0.241 221 I C 2.438 178.266 176.117 -0.482 0.000 1.075 221 I CA 1.467 62.517 61.300 -0.416 0.000 1.334 221 I CB -0.261 37.410 38.000 -0.548 0.000 1.040 221 I HN 0.245 nan 8.210 nan 0.000 0.405 222 E N 0.146 120.149 120.200 -0.330 0.000 2.086 222 E HA -0.279 4.069 4.350 -0.003 0.000 0.200 222 E C 2.333 178.895 176.600 -0.064 0.000 1.012 222 E CA 1.947 58.251 56.400 -0.159 0.000 0.812 222 E CB -0.101 29.551 29.700 -0.080 0.000 0.743 222 E HN 0.282 nan 8.360 nan 0.000 0.453 223 S N -0.697 114.959 115.700 -0.072 0.000 2.382 223 S HA -0.186 4.283 4.470 -0.003 0.000 0.228 223 S C 2.093 176.693 174.600 0.001 0.000 1.027 223 S CA 1.046 59.232 58.200 -0.023 0.000 0.991 223 S CB -0.379 62.806 63.200 -0.024 0.000 0.823 223 S HN 0.573 nan 8.310 nan 0.000 0.469 224 c N 0.833 119.415 118.600 -0.030 0.000 2.432 224 c HA -0.078 4.490 4.570 -0.003 0.000 0.277 224 c C 2.324 176.487 174.090 0.122 0.000 1.249 224 c CA 0.712 57.050 56.329 0.016 0.000 1.725 224 c CB -1.788 40.709 42.510 -0.022 0.000 2.028 224 c HN 0.648 nan 8.230 nan 0.000 0.477 225 Y N 2.404 122.672 120.300 -0.052 0.000 2.165 225 Y HA -0.111 4.438 4.550 -0.003 0.000 0.286 225 Y C 2.274 178.145 175.900 -0.049 0.000 1.155 225 Y CA 2.287 60.354 58.100 -0.055 0.000 1.164 225 Y CB -1.107 37.336 38.460 -0.029 0.000 0.978 225 Y HN 0.667 nan 8.280 nan 0.000 0.513 226 D N -2.058 118.434 120.400 0.154 0.000 2.289 226 D HA -0.061 4.578 4.640 -0.003 0.000 0.207 226 D C 1.788 178.109 176.300 0.035 0.000 0.966 226 D CA 1.074 55.115 54.000 0.068 0.000 0.868 226 D CB -0.546 40.285 40.800 0.053 0.000 0.943 226 D HN 0.240 nan 8.370 nan 0.000 0.514 227 S N -0.982 114.742 115.700 0.040 0.000 2.514 227 S HA 0.005 4.473 4.470 -0.003 0.000 0.223 227 S C 1.039 175.647 174.600 0.014 0.000 1.046 227 S CA -0.058 58.158 58.200 0.027 0.000 0.914 227 S CB -0.327 62.896 63.200 0.039 0.000 0.807 227 S HN 0.165 nan 8.310 nan 0.000 0.497 228 Q N 1.029 120.838 119.800 0.016 0.000 2.480 228 Q HA -0.166 4.172 4.340 -0.003 0.000 0.265 228 Q C -0.018 175.971 176.000 -0.018 0.000 1.072 228 Q CA 0.783 56.581 55.803 -0.007 0.000 1.018 228 Q CB -2.304 26.412 28.738 -0.037 0.000 1.433 228 Q HN 0.660 nan 8.270 nan 0.000 0.513 229 S N -1.105 114.590 115.700 -0.010 0.000 2.617 229 S HA 0.426 4.894 4.470 -0.003 0.000 0.283 229 S C 1.351 175.877 174.600 -0.123 0.000 1.189 229 S CA -0.305 57.862 58.200 -0.054 0.000 1.036 229 S CB 1.789 64.995 63.200 0.010 0.000 1.014 229 S HN 0.150 nan 8.310 nan 0.000 0.522 230 V N 3.005 122.738 119.914 -0.302 0.000 2.380 230 V HA -0.195 3.923 4.120 -0.003 0.000 0.251 230 V C 1.750 177.624 176.094 -0.366 0.000 1.063 230 V CA 2.041 64.079 62.300 -0.437 0.000 1.055 230 V CB -1.098 30.259 31.823 -0.777 0.000 0.657 230 V HN 0.952 nan 8.190 nan 0.000 0.455 231 W N -0.002 121.307 121.300 0.015 0.000 2.611 231 W HA 0.091 4.750 4.660 -0.002 0.000 0.251 231 W C 2.429 178.947 176.519 -0.001 0.000 1.265 231 W CA 0.672 58.020 57.345 0.005 0.000 1.295 231 W CB -0.202 29.256 29.460 -0.003 0.000 1.129 231 W HN 0.355 nan 8.180 nan 0.000 0.630 232 S N -1.831 113.952 115.700 0.137 0.000 2.670 232 S HA 0.034 4.502 4.470 -0.003 0.000 0.241 232 S C 1.377 175.996 174.600 0.031 0.000 1.077 232 S CA 0.624 58.870 58.200 0.075 0.000 0.899 232 S CB -0.590 62.639 63.200 0.049 0.000 0.835 232 S HN 0.136 nan 8.310 nan 0.000 0.481 233 c N 0.885 119.497 118.600 0.019 0.000 2.466 233 c HA 0.062 4.631 4.570 -0.003 0.000 0.278 233 c C 2.583 176.686 174.090 0.021 0.000 1.288 233 c CA 0.747 57.085 56.329 0.016 0.000 1.722 233 c CB -0.810 41.718 42.510 0.029 0.000 2.017 233 c HN 0.498 nan 8.230 nan 0.000 0.488 234 V N 2.116 122.045 119.914 0.025 0.000 2.295 234 V HA -0.126 3.993 4.120 -0.003 0.000 0.246 234 V C -0.214 175.904 176.094 0.040 0.000 1.049 234 V CA 2.233 64.559 62.300 0.042 0.000 1.024 234 V CB -1.740 30.134 31.823 0.085 0.000 0.648 234 V HN 0.347 nan 8.190 nan 0.000 0.447 235 P HA -0.088 nan 4.420 nan 0.000 0.220 235 P C 1.625 178.954 177.300 0.049 0.000 1.148 235 P CA 1.786 64.927 63.100 0.068 0.000 0.803 235 P CB -0.128 31.618 31.700 0.076 0.000 0.782 236 A N -0.459 122.364 122.820 0.004 0.000 1.908 236 A HA -0.184 4.135 4.320 -0.003 0.000 0.218 236 A C 2.214 179.770 177.584 -0.047 0.000 1.181 236 A CA 2.416 54.433 52.037 -0.034 0.000 0.627 236 A CB -1.842 17.110 19.000 -0.079 0.000 0.818 236 A HN 0.161 nan 8.150 nan 0.000 0.445 237 T N 0.515 115.021 114.554 -0.079 0.000 2.545 237 T HA -0.156 4.192 4.350 -0.003 0.000 0.261 237 T C 1.831 176.422 174.700 -0.181 0.000 1.097 237 T CA 1.670 63.654 62.100 -0.193 0.000 1.189 237 T CB -0.541 68.136 68.868 -0.318 0.000 0.863 237 T HN 0.393 nan 8.240 nan 0.000 0.405 238 I N -0.037 120.448 120.570 -0.141 0.000 2.145 238 I HA -0.276 3.892 4.170 -0.003 0.000 0.244 238 I C 2.276 178.358 176.117 -0.057 0.000 1.075 238 I CA 1.841 63.077 61.300 -0.106 0.000 1.332 238 I CB -0.468 37.512 38.000 -0.033 0.000 1.033 238 I HN 0.248 nan 8.210 nan 0.000 0.410 239 Y N 0.932 121.189 120.300 -0.072 0.000 2.081 239 Y HA -0.372 4.176 4.550 -0.003 0.000 0.280 239 Y C 2.736 178.612 175.900 -0.039 0.000 1.163 239 Y CA 1.991 60.063 58.100 -0.047 0.000 1.135 239 Y CB -0.500 37.933 38.460 -0.045 0.000 0.970 239 Y HN 0.236 nan 8.280 nan 0.000 0.498 240 c N 0.263 118.928 118.600 0.110 0.000 2.453 240 c HA -0.150 4.418 4.570 -0.003 0.000 0.277 240 c C 2.432 176.572 174.090 0.083 0.000 1.262 240 c CA 1.421 57.807 56.329 0.095 0.000 1.718 240 c CB -1.544 40.938 42.510 -0.047 0.000 2.031 240 c HN 0.620 nan 8.230 nan 0.000 0.480 241 N N 0.750 119.466 118.700 0.027 0.000 2.364 241 N HA -0.139 4.600 4.740 -0.003 0.000 0.183 241 N C 1.712 177.184 175.510 -0.063 0.000 1.022 241 N CA 0.512 53.566 53.050 0.007 0.000 0.883 241 N CB -0.225 38.197 38.487 -0.109 0.000 0.965 241 N HN 0.625 nan 8.380 nan 0.000 0.438 242 N N 1.309 119.937 118.700 -0.122 0.000 2.124 242 N HA -0.070 4.668 4.740 -0.003 0.000 0.189 242 N C 1.754 177.164 175.510 -0.166 0.000 1.050 242 N CA 0.967 53.917 53.050 -0.166 0.000 0.848 242 N CB -0.046 38.297 38.487 -0.241 0.000 1.027 242 N HN 0.084 nan 8.380 nan 0.000 0.435 243 A N 0.102 122.771 122.820 -0.251 0.000 2.076 243 A HA -0.172 4.147 4.320 -0.003 0.000 0.220 243 A C 1.995 179.554 177.584 -0.041 0.000 1.160 243 A CA 1.514 53.445 52.037 -0.176 0.000 0.653 243 A CB -0.262 18.637 19.000 -0.168 0.000 0.801 243 A HN 0.499 nan 8.150 nan 0.000 0.455 244 Q N -1.841 117.946 119.800 -0.021 0.000 2.534 244 Q HA 0.364 4.703 4.340 -0.003 0.000 0.252 244 Q C 1.807 177.773 176.000 -0.057 0.000 0.850 244 Q CA 0.238 56.042 55.803 0.002 0.000 0.974 244 Q CB 0.133 28.899 28.738 0.047 0.000 1.205 244 Q HN 0.546 nan 8.270 nan 0.000 0.593 245 L N -0.117 121.052 121.223 -0.089 0.000 2.095 245 L HA 0.104 4.442 4.340 -0.003 0.000 0.204 245 L C 2.307 179.230 176.870 0.088 0.000 1.080 245 L CA 0.889 55.709 54.840 -0.033 0.000 0.759 245 L CB -0.598 41.419 42.059 -0.069 0.000 0.914 245 L HN 0.225 nan 8.230 nan 0.000 0.439 246 A N 1.173 124.004 122.820 0.020 0.000 1.881 246 A HA -0.205 4.114 4.320 -0.003 0.000 0.219 246 A C -0.001 177.591 177.584 0.012 0.000 1.215 246 A CA 2.357 54.398 52.037 0.006 0.000 0.648 246 A CB -2.061 16.918 19.000 -0.034 0.000 0.832 246 A HN 0.273 nan 8.150 nan 0.000 0.455 247 P HA -0.167 nan 4.420 nan 0.000 0.216 247 P C 1.479 178.746 177.300 -0.055 0.000 1.150 247 P CA 1.365 64.456 63.100 -0.015 0.000 0.837 247 P CB -0.213 31.486 31.700 -0.000 0.000 0.786 248 Y N 0.922 121.125 120.300 -0.162 0.000 2.128 248 Y HA -0.241 4.307 4.550 -0.002 0.000 0.284 248 Y C 2.357 178.124 175.900 -0.222 0.000 1.154 248 Y CA 1.774 59.685 58.100 -0.314 0.000 1.149 248 Y CB -0.841 37.199 38.460 -0.700 0.000 0.976 248 Y HN -0.042 nan 8.280 nan 0.000 0.505 249 Q N -0.068 119.713 119.800 -0.030 0.000 2.170 249 Q HA -0.209 4.130 4.340 -0.003 0.000 0.203 249 Q C 2.190 178.109 176.000 -0.134 0.000 0.976 249 Q CA 1.700 57.465 55.803 -0.063 0.000 0.858 249 Q CB -0.122 28.620 28.738 0.007 0.000 0.907 249 Q HN 0.612 nan 8.270 nan 0.000 0.433 250 R N 0.155 120.580 120.500 -0.125 0.000 2.091 250 R HA -0.126 4.212 4.340 -0.003 0.000 0.238 250 R C 2.484 178.684 176.300 -0.166 0.000 1.136 250 R CA 1.847 57.874 56.100 -0.121 0.000 0.959 250 R CB -1.455 28.792 30.300 -0.089 0.000 0.856 250 R HN 0.301 nan 8.270 nan 0.000 0.437 251 T N -1.098 113.306 114.554 -0.250 0.000 2.778 251 T HA -0.074 4.275 4.350 -0.003 0.000 0.269 251 T C 1.366 175.911 174.700 -0.258 0.000 1.050 251 T CA 1.048 62.983 62.100 -0.275 0.000 1.137 251 T CB -0.672 67.949 68.868 -0.411 0.000 0.860 251 T HN 0.600 nan 8.240 nan 0.000 0.468 252 G N 1.357 109.986 108.800 -0.285 0.000 2.422 252 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.290 252 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.290 252 G C -0.322 174.426 174.900 -0.253 0.000 1.059 252 G CA -0.025 44.944 45.100 -0.219 0.000 1.242 252 G HN 0.841 nan 8.290 nan 0.000 0.520 253 R N 0.054 120.337 120.500 -0.362 0.000 2.670 253 R HA 0.598 4.937 4.340 -0.003 0.000 0.289 253 R C 0.212 176.441 176.300 -0.118 0.000 0.965 253 R CA -1.469 54.467 56.100 -0.273 0.000 0.899 253 R CB 0.688 30.698 30.300 -0.482 0.000 1.173 253 R HN 0.305 nan 8.270 nan 0.000 0.456 254 N N 2.204 120.878 118.700 -0.044 0.000 2.412 254 N HA -0.063 4.676 4.740 -0.003 0.000 0.258 254 N C 0.479 176.056 175.510 0.113 0.000 1.236 254 N CA 0.374 53.386 53.050 -0.063 0.000 0.882 254 N CB 0.861 39.275 38.487 -0.122 0.000 1.066 254 N HN 0.435 nan 8.380 nan 0.000 0.465 255 V N 4.037 123.918 119.914 -0.056 0.000 2.913 255 V HA -0.160 3.959 4.120 -0.003 0.000 0.260 255 V C 0.598 176.717 176.094 0.042 0.000 1.098 255 V CA 1.309 63.624 62.300 0.025 0.000 1.121 255 V CB -0.924 30.767 31.823 -0.219 0.000 0.714 255 V HN 0.668 nan 8.190 nan 0.000 0.487 256 Y N -0.985 119.418 120.300 0.172 0.000 2.457 256 Y HA 0.359 4.907 4.550 -0.003 0.000 0.263 256 Y C 0.620 176.697 175.900 0.296 0.000 1.164 256 Y CA -0.749 57.487 58.100 0.226 0.000 1.274 256 Y CB 0.285 38.916 38.460 0.286 0.000 1.097 256 Y HN 0.221 nan 8.280 nan 0.000 0.523 257 D N -0.475 120.154 120.400 0.381 0.000 2.192 257 D HA 0.036 4.675 4.640 -0.003 0.000 0.200 257 D C 0.415 176.880 176.300 0.275 0.000 1.281 257 D CA -0.044 54.156 54.000 0.332 0.000 0.895 257 D CB 0.141 41.148 40.800 0.345 0.000 1.643 257 D HN 0.179 nan 8.370 nan 0.000 0.510 258 I N 3.139 123.890 120.570 0.302 0.000 2.530 258 I HA -0.227 3.941 4.170 -0.003 0.000 0.257 258 I C 2.008 178.238 176.117 0.188 0.000 1.179 258 I CA 1.021 62.504 61.300 0.305 0.000 1.440 258 I CB 0.257 38.453 38.000 0.326 0.000 1.087 258 I HN 0.293 nan 8.210 nan 0.000 0.440 259 R N 0.501 121.101 120.500 0.168 0.000 2.062 259 R HA -0.096 4.242 4.340 -0.003 0.000 0.231 259 R C 0.992 177.348 176.300 0.092 0.000 1.136 259 R CA 0.942 57.114 56.100 0.121 0.000 0.948 259 R CB -0.396 29.979 30.300 0.125 0.000 0.845 259 R HN 0.128 nan 8.270 nan 0.000 0.430 260 K N 1.506 121.970 120.400 0.106 0.000 2.118 260 K HA 0.033 4.352 4.320 -0.003 0.000 0.264 260 K C -0.614 176.002 176.600 0.026 0.000 1.000 260 K CA -0.318 56.013 56.287 0.074 0.000 0.929 260 K CB 0.767 33.326 32.500 0.098 0.000 1.021 260 K HN 0.089 nan 8.250 nan 0.000 0.463 261 D N 0.297 120.692 120.400 -0.008 0.000 2.440 261 D HA 0.454 5.092 4.640 -0.003 0.000 0.258 261 D C -0.623 175.629 176.300 -0.080 0.000 1.092 261 D CA -0.712 53.258 54.000 -0.050 0.000 1.016 261 D CB 1.276 42.043 40.800 -0.055 0.000 1.141 261 D HN 0.560 nan 8.370 nan 0.000 0.552 262 c N -0.428 118.111 118.600 -0.102 0.000 3.050 262 c HA 0.497 5.066 4.570 -0.003 0.000 0.416 262 c C -0.919 173.105 174.090 -0.109 0.000 0.994 262 c CA -0.616 55.647 56.329 -0.110 0.000 1.222 262 c CB 0.060 42.480 42.510 -0.148 0.000 1.612 262 c HN 0.703 nan 8.230 nan 0.000 0.550 263 E N 2.174 122.321 120.200 -0.088 0.000 2.283 263 E HA 0.561 4.910 4.350 -0.003 0.000 0.267 263 E C 0.908 177.463 176.600 -0.074 0.000 1.045 263 E CA 0.137 56.486 56.400 -0.084 0.000 0.884 263 E CB 1.472 31.133 29.700 -0.065 0.000 1.106 263 E HN 1.107 nan 8.360 nan 0.000 0.408 264 G N 0.910 109.667 108.800 -0.072 0.000 2.138 264 G HA2 0.241 4.200 3.960 -0.003 0.000 0.244 264 G HA3 0.241 4.200 3.960 -0.003 0.000 0.244 264 G C 0.769 175.642 174.900 -0.045 0.000 1.166 264 G CA 0.365 45.430 45.100 -0.058 0.000 0.902 264 G HN 0.777 nan 8.290 nan 0.000 0.460 265 G N 2.870 111.646 108.800 -0.040 0.000 4.257 265 G HA2 -0.291 3.668 3.960 -0.003 0.000 0.270 265 G HA3 -0.291 3.668 3.960 -0.003 0.000 0.270 265 G C 0.737 175.621 174.900 -0.027 0.000 1.717 265 G CA 0.133 45.215 45.100 -0.031 0.000 1.170 265 G HN 0.914 nan 8.290 nan 0.000 0.642 266 N N 0.917 119.602 118.700 -0.025 0.000 2.146 266 N HA 0.130 4.868 4.740 -0.003 0.000 0.215 266 N C 0.693 176.191 175.510 -0.020 0.000 1.313 266 N CA 0.684 53.724 53.050 -0.018 0.000 0.877 266 N CB 0.125 38.603 38.487 -0.015 0.000 1.076 266 N HN 0.475 nan 8.380 nan 0.000 0.437 267 L N 0.585 121.805 121.223 -0.006 0.000 2.514 267 L HA -0.081 4.257 4.340 -0.003 0.000 0.280 267 L C 1.286 178.132 176.870 -0.040 0.000 1.223 267 L CA -0.461 54.378 54.840 -0.001 0.000 0.864 267 L CB 0.265 42.344 42.059 0.034 0.000 1.118 267 L HN 0.648 nan 8.230 nan 0.000 0.494 268 c N 1.864 120.424 118.600 -0.067 0.000 2.673 268 c HA 0.149 4.718 4.570 -0.003 0.000 0.264 268 c C -0.027 173.779 174.090 -0.473 0.000 1.304 268 c CA -0.119 56.082 56.329 -0.214 0.000 1.727 268 c CB -0.979 41.411 42.510 -0.200 0.000 1.932 268 c HN 0.591 nan 8.230 nan 0.000 0.563 269 Y N -0.082 120.271 120.300 0.087 0.000 2.274 269 Y HA 0.281 4.829 4.550 -0.003 0.000 0.323 269 Y C -2.177 173.742 175.900 0.032 0.000 1.171 269 Y CA -1.999 56.151 58.100 0.082 0.000 1.163 269 Y CB 0.795 39.258 38.460 0.006 0.000 1.183 269 Y HN -0.072 nan 8.280 nan 0.000 0.424 270 P HA -0.070 nan 4.420 nan 0.000 0.217 270 P C 1.492 178.856 177.300 0.107 0.000 1.154 270 P CA 1.461 64.632 63.100 0.119 0.000 0.841 270 P CB 0.370 32.131 31.700 0.103 0.000 0.788 271 T N 1.001 115.654 114.554 0.164 0.000 2.792 271 T HA -0.157 4.191 4.350 -0.003 0.000 0.268 271 T C 1.669 176.402 174.700 0.054 0.000 1.059 271 T CA 1.275 63.462 62.100 0.145 0.000 1.136 271 T CB -0.951 68.076 68.868 0.266 0.000 0.846 271 T HN 0.095 nan 8.240 nan 0.000 0.489 272 L N 0.696 121.897 121.223 -0.037 0.000 2.046 272 L HA -0.127 4.211 4.340 -0.003 0.000 0.208 272 L C 2.736 179.574 176.870 -0.054 0.000 1.077 272 L CA 1.307 56.058 54.840 -0.148 0.000 0.747 272 L CB -0.853 41.054 42.059 -0.254 0.000 0.896 272 L HN 0.150 nan 8.230 nan 0.000 0.432 273 Q N 0.982 120.775 119.800 -0.012 0.000 2.135 273 Q HA -0.232 4.106 4.340 -0.003 0.000 0.204 273 Q C 1.732 177.740 176.000 0.013 0.000 0.981 273 Q CA 2.174 57.980 55.803 0.006 0.000 0.856 273 Q CB -0.368 28.381 28.738 0.019 0.000 0.902 273 Q HN 0.628 nan 8.270 nan 0.000 0.425 274 D N -0.476 119.936 120.400 0.019 0.000 2.117 274 D HA -0.144 4.494 4.640 -0.003 0.000 0.197 274 D C 1.963 178.260 176.300 -0.006 0.000 0.987 274 D CA 1.595 55.608 54.000 0.021 0.000 0.829 274 D CB -0.539 40.284 40.800 0.038 0.000 0.961 274 D HN 0.299 nan 8.370 nan 0.000 0.460 275 I N 1.543 122.091 120.570 -0.038 0.000 2.163 275 I HA -0.227 3.941 4.170 -0.003 0.000 0.243 275 I C 2.247 178.334 176.117 -0.050 0.000 1.085 275 I CA 1.390 62.631 61.300 -0.098 0.000 1.347 275 I CB -1.211 36.736 38.000 -0.088 0.000 1.044 275 I HN -0.017 nan 8.210 nan 0.000 0.408 276 D N -0.012 120.402 120.400 0.023 0.000 2.309 276 D HA -0.154 4.485 4.640 -0.003 0.000 0.212 276 D C 1.688 178.028 176.300 0.068 0.000 0.968 276 D CA 0.954 55.020 54.000 0.109 0.000 0.882 276 D CB -0.229 40.629 40.800 0.095 0.000 0.918 276 D HN 0.468 nan 8.370 nan 0.000 0.503 277 D N -0.825 119.591 120.400 0.027 0.000 2.087 277 D HA -0.168 4.470 4.640 -0.003 0.000 0.201 277 D C 1.703 178.007 176.300 0.006 0.000 0.980 277 D CA 0.668 54.680 54.000 0.020 0.000 0.849 277 D CB -0.883 39.934 40.800 0.028 0.000 1.001 277 D HN 0.240 nan 8.370 nan 0.000 0.452 278 Y N 0.889 121.091 120.300 -0.163 0.000 2.348 278 Y HA -0.220 4.329 4.550 -0.002 0.000 0.285 278 Y C 1.851 177.575 175.900 -0.292 0.000 1.173 278 Y CA 1.022 58.975 58.100 -0.246 0.000 1.263 278 Y CB -0.039 38.212 38.460 -0.349 0.000 0.974 278 Y HN -0.083 nan 8.280 nan 0.000 0.547 279 L N -0.227 120.955 121.223 -0.068 0.000 2.209 279 L HA -0.093 4.245 4.340 -0.003 0.000 0.207 279 L C 2.049 178.915 176.870 -0.006 0.000 1.094 279 L CA 1.207 55.992 54.840 -0.091 0.000 0.790 279 L CB -0.916 40.907 42.059 -0.393 0.000 0.932 279 L HN 0.247 nan 8.230 nan 0.000 0.447 280 N N -0.149 118.536 118.700 -0.024 0.000 2.415 280 N HA -0.030 4.709 4.740 -0.003 0.000 0.176 280 N C 0.952 176.419 175.510 -0.072 0.000 1.042 280 N CA 0.485 53.522 53.050 -0.022 0.000 0.902 280 N CB 0.182 38.625 38.487 -0.074 0.000 0.986 280 N HN 0.485 nan 8.380 nan 0.000 0.447 281 Q N 1.263 120.986 119.800 -0.129 0.000 2.414 281 Q HA -0.036 4.303 4.340 -0.003 0.000 0.288 281 Q C 0.591 176.529 176.000 -0.105 0.000 1.086 281 Q CA 0.590 56.321 55.803 -0.119 0.000 0.943 281 Q CB -0.085 28.541 28.738 -0.186 0.000 1.282 281 Q HN 0.239 nan 8.270 nan 0.000 0.438 282 D N -0.210 120.200 120.400 0.016 0.000 2.117 282 D HA -0.120 4.518 4.640 -0.003 0.000 0.197 282 D C 1.740 178.077 176.300 0.062 0.000 0.987 282 D CA 2.268 56.288 54.000 0.034 0.000 0.829 282 D CB -0.259 40.562 40.800 0.035 0.000 0.961 282 D HN 0.886 nan 8.370 nan 0.000 0.460 283 Y N 0.406 120.648 120.300 -0.097 0.000 2.070 283 Y HA -0.095 4.453 4.550 -0.003 0.000 0.279 283 Y C 2.606 178.454 175.900 -0.087 0.000 1.134 283 Y CA 0.902 58.950 58.100 -0.086 0.000 1.113 283 Y CB -1.353 37.052 38.460 -0.092 0.000 0.981 283 Y HN -0.026 nan 8.280 nan 0.000 0.487 284 V N 1.922 121.350 119.914 -0.810 0.000 2.233 284 V HA -0.385 3.733 4.120 -0.003 0.000 0.252 284 V C 2.397 178.362 176.094 -0.215 0.000 1.063 284 V CA 3.783 65.727 62.300 -0.593 0.000 1.032 284 V CB -0.962 30.311 31.823 -0.918 0.000 0.645 284 V HN 0.489 nan 8.190 nan 0.000 0.446 285 K N -0.905 119.388 120.400 -0.178 0.000 2.218 285 K HA -0.206 4.112 4.320 -0.003 0.000 0.205 285 K C 2.184 178.711 176.600 -0.122 0.000 1.046 285 K CA 1.556 57.768 56.287 -0.124 0.000 0.933 285 K CB -0.061 32.401 32.500 -0.063 0.000 0.728 285 K HN 0.721 nan 8.250 nan 0.000 0.454 286 E N 0.459 120.616 120.200 -0.072 0.000 2.028 286 E HA -0.099 4.249 4.350 -0.003 0.000 0.191 286 E C 1.968 178.551 176.600 -0.028 0.000 0.988 286 E CA 1.180 57.561 56.400 -0.032 0.000 0.799 286 E CB -0.412 29.292 29.700 0.007 0.000 0.755 286 E HN 0.258 nan 8.360 nan 0.000 0.447 287 A N 0.824 123.630 122.820 -0.024 0.000 1.940 287 A HA -0.158 4.160 4.320 -0.003 0.000 0.219 287 A C 2.503 180.044 177.584 -0.071 0.000 1.176 287 A CA 1.786 53.809 52.037 -0.023 0.000 0.631 287 A CB -0.638 18.367 19.000 0.007 0.000 0.814 287 A HN 0.156 nan 8.150 nan 0.000 0.446 288 V N -0.662 119.200 119.914 -0.087 0.000 2.667 288 V HA 0.128 4.246 4.120 -0.003 0.000 0.252 288 V C 1.822 177.872 176.094 -0.073 0.000 1.065 288 V CA 0.792 63.015 62.300 -0.129 0.000 1.083 288 V CB -1.867 29.898 31.823 -0.096 0.000 0.692 288 V HN 1.178 nan 8.190 nan 0.000 0.468 289 G N 0.886 109.665 108.800 -0.034 0.000 2.350 289 G HA2 -0.104 3.855 3.960 -0.003 0.000 0.298 289 G HA3 -0.104 3.855 3.960 -0.003 0.000 0.298 289 G C 0.099 175.108 174.900 0.182 0.000 1.037 289 G CA 0.203 45.328 45.100 0.042 0.000 1.074 289 G HN 1.122 nan 8.290 nan 0.000 0.511 290 A N -0.378 122.501 122.820 0.099 0.000 2.289 290 A HA 0.803 5.121 4.320 -0.003 0.000 0.298 290 A C 0.958 178.623 177.584 0.135 0.000 1.208 290 A CA 1.047 53.243 52.037 0.265 0.000 0.845 290 A CB 0.580 19.304 19.000 -0.460 0.000 1.125 290 A HN 1.670 nan 8.150 nan 0.000 0.517 291 E N 2.163 122.429 120.200 0.110 0.000 2.438 291 E HA 0.358 4.707 4.350 -0.003 0.000 0.192 291 E C 0.187 176.606 176.600 -0.302 0.000 1.110 291 E CA 0.486 56.779 56.400 -0.177 0.000 0.893 291 E CB -0.409 29.090 29.700 -0.335 0.000 0.990 291 E HN 0.564 nan 8.360 nan 0.000 0.490 292 V N 0.175 120.028 119.914 -0.101 0.000 2.966 292 V HA 0.280 4.399 4.120 -0.003 0.000 0.317 292 V C 0.278 176.391 176.094 0.031 0.000 1.070 292 V CA -0.382 61.886 62.300 -0.054 0.000 1.008 292 V CB 2.034 33.978 31.823 0.201 0.000 1.070 292 V HN 0.397 nan 8.190 nan 0.000 0.457 293 D N -0.052 120.379 120.400 0.052 0.000 2.388 293 D HA 0.139 4.777 4.640 -0.003 0.000 0.208 293 D C -0.086 176.309 176.300 0.159 0.000 1.035 293 D CA 0.684 54.729 54.000 0.075 0.000 0.875 293 D CB 0.263 41.086 40.800 0.038 0.000 0.984 293 D HN 0.448 nan 8.370 nan 0.000 0.508 294 H N -0.144 118.984 119.070 0.097 0.000 3.096 294 H HA 0.110 4.664 4.556 -0.003 0.000 0.335 294 H C -1.797 173.600 175.328 0.114 0.000 0.990 294 H CA -0.691 55.413 56.048 0.094 0.000 1.393 294 H CB 0.055 29.838 29.762 0.035 0.000 1.742 294 H HN -0.123 nan 8.280 nan 0.000 0.501 295 Y N 4.766 125.220 120.300 0.256 0.000 2.383 295 Y HA 0.336 4.885 4.550 -0.003 0.000 0.344 295 Y C -0.320 175.619 175.900 0.064 0.000 0.986 295 Y CA -0.186 57.921 58.100 0.011 0.000 1.175 295 Y CB 0.576 38.742 38.460 -0.490 0.000 1.152 295 Y HN 0.542 nan 8.280 nan 0.000 0.511 296 E N 3.320 123.160 120.200 -0.599 0.000 2.202 296 E HA 0.211 4.559 4.350 -0.003 0.000 0.272 296 E C 0.251 176.287 176.600 -0.940 0.000 0.951 296 E CA -0.424 55.640 56.400 -0.559 0.000 0.813 296 E CB 2.077 31.581 29.700 -0.328 0.000 1.151 296 E HN 0.804 nan 8.360 nan 0.000 0.398 297 S N 0.540 115.925 115.700 -0.525 0.000 2.345 297 S HA -0.066 4.402 4.470 -0.003 0.000 0.220 297 S C 0.609 175.053 174.600 -0.261 0.000 1.031 297 S CA 0.647 58.615 58.200 -0.385 0.000 0.996 297 S CB 0.169 63.279 63.200 -0.151 0.000 0.882 297 S HN 0.546 nan 8.310 nan 0.000 0.445 298 c N 2.320 120.818 118.600 -0.171 0.000 2.455 298 c HA 0.580 5.148 4.570 -0.003 0.000 0.320 298 c C 0.067 174.111 174.090 -0.076 0.000 1.226 298 c CA -1.522 54.746 56.329 -0.100 0.000 1.569 298 c CB 0.695 43.174 42.510 -0.052 0.000 2.200 298 c HN 0.470 nan 8.230 nan 0.000 0.491 299 N N 1.313 119.985 118.700 -0.047 0.000 2.558 299 N HA 0.157 4.896 4.740 -0.003 0.000 0.233 299 N C 0.543 176.094 175.510 0.068 0.000 1.038 299 N CA -0.703 52.348 53.050 0.002 0.000 0.934 299 N CB -0.155 38.336 38.487 0.008 0.000 1.175 299 N HN 0.589 nan 8.380 nan 0.000 0.512 300 F N 3.132 123.051 119.950 -0.052 0.000 2.076 300 F HA -0.416 4.110 4.527 -0.003 0.000 0.294 300 F C 1.455 177.253 175.800 -0.004 0.000 1.078 300 F CA 2.214 60.194 58.000 -0.032 0.000 1.247 300 F CB 0.022 39.006 39.000 -0.028 0.000 0.984 300 F HN 0.517 nan 8.300 nan 0.000 0.491 301 D N -0.020 120.453 120.400 0.121 0.000 2.078 301 D HA -0.185 4.454 4.640 -0.003 0.000 0.193 301 D C 2.658 178.967 176.300 0.016 0.000 0.990 301 D CA 2.120 56.149 54.000 0.049 0.000 0.827 301 D CB -0.966 39.899 40.800 0.109 0.000 0.975 301 D HN 0.286 nan 8.370 nan 0.000 0.451 302 I N 1.936 122.543 120.570 0.062 0.000 2.113 302 I HA -0.275 3.894 4.170 -0.003 0.000 0.242 302 I C 2.459 178.640 176.117 0.107 0.000 1.064 302 I CA 1.250 62.627 61.300 0.128 0.000 1.320 302 I CB -1.342 36.721 38.000 0.105 0.000 1.028 302 I HN 0.275 nan 8.210 nan 0.000 0.406 303 N N 0.883 119.546 118.700 -0.062 0.000 2.037 303 N HA -0.337 4.401 4.740 -0.003 0.000 0.196 303 N C 2.205 177.615 175.510 -0.168 0.000 1.034 303 N CA 2.551 55.516 53.050 -0.141 0.000 0.861 303 N CB -0.381 37.982 38.487 -0.206 0.000 1.039 303 N HN 0.646 nan 8.380 nan 0.000 0.427 304 R N 0.728 121.048 120.500 -0.299 0.000 2.083 304 R HA -0.108 4.231 4.340 -0.003 0.000 0.237 304 R C 1.654 177.839 176.300 -0.191 0.000 1.137 304 R CA 2.066 57.927 56.100 -0.399 0.000 0.951 304 R CB -0.383 29.692 30.300 -0.374 0.000 0.851 304 R HN 0.329 nan 8.270 nan 0.000 0.434 305 N N 0.140 118.860 118.700 0.034 0.000 2.223 305 N HA -0.161 4.577 4.740 -0.003 0.000 0.185 305 N C 1.591 177.160 175.510 0.097 0.000 1.016 305 N CA 1.280 54.399 53.050 0.115 0.000 0.863 305 N CB -0.561 37.997 38.487 0.119 0.000 0.983 305 N HN 0.184 nan 8.380 nan 0.000 0.429 306 F N 1.269 121.199 119.950 -0.033 0.000 2.051 306 F HA -0.081 4.444 4.527 -0.003 0.000 0.296 306 F C 2.263 178.074 175.800 0.019 0.000 1.122 306 F CA 0.617 58.637 58.000 0.033 0.000 1.201 306 F CB -0.840 38.173 39.000 0.023 0.000 0.978 306 F HN -0.029 nan 8.300 nan 0.000 0.472 307 L N -0.595 120.665 121.223 0.062 0.000 2.051 307 L HA -0.258 4.081 4.340 -0.003 0.000 0.214 307 L C 1.771 178.490 176.870 -0.252 0.000 1.076 307 L CA 1.904 56.610 54.840 -0.224 0.000 0.758 307 L CB -1.162 40.505 42.059 -0.654 0.000 0.890 307 L HN 0.031 nan 8.230 nan 0.000 0.433 308 F N -0.460 119.478 119.950 -0.019 0.000 2.802 308 F HA 0.211 4.737 4.527 -0.002 0.000 0.300 308 F C 2.039 177.793 175.800 -0.078 0.000 1.168 308 F CA 0.369 58.337 58.000 -0.054 0.000 1.433 308 F CB -1.113 37.853 39.000 -0.057 0.000 1.115 308 F HN 0.238 nan 8.300 nan 0.000 0.582 309 A N -1.279 121.590 122.820 0.082 0.000 2.431 309 A HA 0.573 4.892 4.320 -0.003 0.000 0.239 309 A C 1.947 179.533 177.584 0.004 0.000 1.230 309 A CA 0.598 52.632 52.037 -0.005 0.000 0.928 309 A CB -0.310 18.637 19.000 -0.087 0.000 1.006 309 A HN 0.463 nan 8.150 nan 0.000 0.520 310 G N -0.306 108.527 108.800 0.055 0.000 2.254 310 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.225 310 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.225 310 G C 0.850 175.871 174.900 0.202 0.000 1.003 310 G CA 0.721 45.867 45.100 0.076 0.000 0.622 310 G HN 0.347 nan 8.290 nan 0.000 0.507 311 D N -0.275 120.287 120.400 0.271 0.000 2.633 311 D HA -0.253 4.385 4.640 -0.003 0.000 0.206 311 D C 1.796 178.506 176.300 0.683 0.000 1.055 311 D CA 2.140 56.436 54.000 0.494 0.000 0.903 311 D CB -0.338 40.809 40.800 0.580 0.000 1.115 311 D HN 0.491 nan 8.370 nan 0.000 0.479 312 W N -0.032 121.529 121.300 0.436 0.000 2.285 312 W HA -0.224 4.434 4.660 -0.002 0.000 0.290 312 W C 1.730 178.535 176.519 0.478 0.000 1.217 312 W CA 0.831 58.453 57.345 0.462 0.000 1.207 312 W CB -0.067 29.541 29.460 0.247 0.000 1.136 312 W HN 0.154 nan 8.180 nan 0.000 0.546 313 M N 0.239 120.187 119.600 0.580 0.000 2.333 313 M HA 0.110 4.589 4.480 -0.003 0.000 0.257 313 M C 0.287 176.718 176.300 0.218 0.000 1.078 313 M CA 0.300 55.789 55.300 0.314 0.000 1.005 313 M CB -0.417 32.274 32.600 0.152 0.000 1.444 313 M HN -0.321 nan 8.290 nan 0.000 0.496 314 K N 1.787 122.258 120.400 0.117 0.000 2.185 314 K HA 0.277 4.596 4.320 -0.003 0.000 0.271 314 K C -2.242 174.108 176.600 -0.418 0.000 1.013 314 K CA -1.442 54.742 56.287 -0.171 0.000 0.943 314 K CB 0.282 32.553 32.500 -0.383 0.000 0.998 314 K HN -0.055 nan 8.250 nan 0.000 0.468 315 P HA 0.087 nan 4.420 nan 0.000 0.238 315 P C -0.543 176.432 177.300 -0.541 0.000 1.794 315 P CA -0.161 62.555 63.100 -0.639 0.000 1.088 315 P CB -0.217 30.856 31.700 -1.045 0.000 1.923 316 Y N 0.626 120.767 120.300 -0.265 0.000 2.516 316 Y HA -0.116 4.433 4.550 -0.003 0.000 0.291 316 Y C 2.530 178.227 175.900 -0.338 0.000 1.131 316 Y CA 0.904 58.810 58.100 -0.322 0.000 1.281 316 Y CB -1.279 36.946 38.460 -0.391 0.000 1.013 316 Y HN 0.506 nan 8.280 nan 0.000 0.554 317 H N -2.245 116.591 119.070 -0.390 0.000 2.518 317 H HA -0.129 4.425 4.556 -0.003 0.000 0.292 317 H C 1.994 177.161 175.328 -0.267 0.000 1.068 317 H CA 1.287 57.077 56.048 -0.430 0.000 1.275 317 H CB -0.664 28.774 29.762 -0.540 0.000 1.375 317 H HN 0.275 nan 8.280 nan 0.000 0.563 318 T N -1.268 112.770 114.554 -0.860 0.000 2.708 318 T HA -0.151 4.198 4.350 -0.003 0.000 0.266 318 T C 2.425 176.960 174.700 -0.275 0.000 1.037 318 T CA 1.035 62.784 62.100 -0.585 0.000 1.146 318 T CB -0.775 67.771 68.868 -0.537 0.000 0.865 318 T HN 0.554 nan 8.240 nan 0.000 0.435 319 A N 1.369 124.077 122.820 -0.188 0.000 1.927 319 A HA -0.078 4.240 4.320 -0.003 0.000 0.220 319 A C 2.678 180.204 177.584 -0.097 0.000 1.185 319 A CA 2.029 54.004 52.037 -0.103 0.000 0.639 319 A CB -1.469 17.503 19.000 -0.047 0.000 0.820 319 A HN 0.440 nan 8.150 nan 0.000 0.451 320 V N -0.140 119.711 119.914 -0.105 0.000 2.370 320 V HA -0.297 3.821 4.120 -0.003 0.000 0.252 320 V C 2.735 178.748 176.094 -0.135 0.000 1.068 320 V CA 2.576 64.822 62.300 -0.091 0.000 1.061 320 V CB -1.213 30.603 31.823 -0.012 0.000 0.656 320 V HN 0.694 nan 8.190 nan 0.000 0.455 321 T N -0.635 113.853 114.554 -0.110 0.000 2.777 321 T HA -0.172 4.176 4.350 -0.003 0.000 0.266 321 T C 1.610 176.291 174.700 -0.032 0.000 1.040 321 T CA 1.588 63.657 62.100 -0.051 0.000 1.141 321 T CB -0.348 68.498 68.868 -0.036 0.000 0.868 321 T HN 0.578 nan 8.240 nan 0.000 0.444 322 D N 1.409 121.775 120.400 -0.056 0.000 2.117 322 D HA -0.025 4.613 4.640 -0.003 0.000 0.197 322 D C 2.248 178.524 176.300 -0.040 0.000 0.987 322 D CA 0.769 54.744 54.000 -0.042 0.000 0.829 322 D CB -0.317 40.455 40.800 -0.046 0.000 0.961 322 D HN 0.312 nan 8.370 nan 0.000 0.460 323 L N 0.652 121.841 121.223 -0.056 0.000 1.971 323 L HA -0.204 4.135 4.340 -0.003 0.000 0.215 323 L C 2.796 179.612 176.870 -0.089 0.000 1.072 323 L CA 0.991 55.791 54.840 -0.067 0.000 0.758 323 L CB -0.638 41.382 42.059 -0.066 0.000 0.889 323 L HN 0.020 nan 8.230 nan 0.000 0.433 324 L N -0.048 121.109 121.223 -0.109 0.000 2.043 324 L HA -0.268 4.070 4.340 -0.003 0.000 0.212 324 L C 2.297 179.255 176.870 0.147 0.000 1.075 324 L CA 1.272 56.070 54.840 -0.071 0.000 0.752 324 L CB -0.660 41.237 42.059 -0.269 0.000 0.891 324 L HN 0.426 nan 8.230 nan 0.000 0.432 325 N N -0.027 118.731 118.700 0.097 0.000 2.459 325 N HA -0.123 4.615 4.740 -0.003 0.000 0.181 325 N C 0.700 176.224 175.510 0.024 0.000 1.046 325 N CA 0.789 53.881 53.050 0.070 0.000 0.904 325 N CB -0.057 38.442 38.487 0.019 0.000 0.964 325 N HN 0.585 nan 8.380 nan 0.000 0.444 326 Q N 0.948 120.741 119.800 -0.012 0.000 2.341 326 Q HA 0.148 4.486 4.340 -0.003 0.000 0.325 326 Q C -0.916 175.058 176.000 -0.043 0.000 0.920 326 Q CA -0.373 55.418 55.803 -0.021 0.000 1.065 326 Q CB 0.055 28.776 28.738 -0.028 0.000 1.218 326 Q HN -0.004 nan 8.270 nan 0.000 0.434 327 D N 1.086 121.462 120.400 -0.041 0.000 2.701 327 D HA -0.207 4.431 4.640 -0.003 0.000 0.235 327 D C -0.756 175.350 176.300 -0.324 0.000 1.155 327 D CA 0.847 54.770 54.000 -0.130 0.000 0.649 327 D CB -1.060 39.802 40.800 0.104 0.000 1.050 327 D HN 0.460 nan 8.370 nan 0.000 0.425 328 L N 0.771 121.771 121.223 -0.372 0.000 2.272 328 L HA 0.294 4.632 4.340 -0.003 0.000 0.284 328 L C -1.896 174.809 176.870 -0.275 0.000 1.045 328 L CA -1.747 52.934 54.840 -0.265 0.000 0.842 328 L CB 0.964 42.938 42.059 -0.142 0.000 1.224 328 L HN -0.221 nan 8.230 nan 0.000 0.430 329 P HA 0.025 nan 4.420 nan 0.000 0.264 329 P C -0.825 176.716 177.300 0.401 0.000 1.183 329 P CA 0.515 63.706 63.100 0.152 0.000 0.763 329 P CB 0.852 32.543 31.700 -0.016 0.000 0.807 330 I N 3.068 123.991 120.570 0.588 0.000 2.569 330 I HA 0.359 4.527 4.170 -0.003 0.000 0.290 330 I C -0.359 175.821 176.117 0.106 0.000 1.088 330 I CA -1.058 60.471 61.300 0.381 0.000 1.047 330 I CB 2.372 40.549 38.000 0.294 0.000 1.237 330 I HN 0.214 nan 8.210 nan 0.000 0.421 331 L N 7.696 128.683 121.223 -0.393 0.000 2.343 331 L HA 0.619 4.957 4.340 -0.003 0.000 0.278 331 L C -1.351 175.378 176.870 -0.235 0.000 0.996 331 L CA -0.397 54.065 54.840 -0.629 0.000 0.831 331 L CB 1.632 42.809 42.059 -1.469 0.000 1.232 331 L HN 0.316 nan 8.230 nan 0.000 0.413 332 V N 6.377 126.192 119.914 -0.165 0.000 2.311 332 V HA 0.419 4.538 4.120 -0.003 0.000 0.275 332 V C -0.758 175.326 176.094 -0.016 0.000 1.022 332 V CA -0.396 61.873 62.300 -0.053 0.000 0.830 332 V CB 0.518 32.298 31.823 -0.072 0.000 1.012 332 V HN 0.709 nan 8.190 nan 0.000 0.452 333 Y N 2.819 122.992 120.300 -0.211 0.000 2.536 333 Y HA 0.960 5.509 4.550 -0.002 0.000 0.347 333 Y C -0.314 175.504 175.900 -0.137 0.000 1.000 333 Y CA -1.364 56.557 58.100 -0.299 0.000 1.051 333 Y CB 2.057 40.336 38.460 -0.301 0.000 1.259 333 Y HN 0.598 nan 8.280 nan 0.000 0.468 334 A N 1.547 124.409 122.820 0.071 0.000 2.427 334 A HA 0.693 5.011 4.320 -0.003 0.000 0.298 334 A C -0.222 177.453 177.584 0.152 0.000 1.036 334 A CA -0.533 51.569 52.037 0.107 0.000 0.701 334 A CB 0.851 19.996 19.000 0.242 0.000 1.250 334 A HN 1.455 nan 8.150 nan 0.000 0.412 335 G N 1.334 110.229 108.800 0.159 0.000 2.343 335 G HA2 0.372 4.330 3.960 -0.003 0.000 0.254 335 G HA3 0.372 4.330 3.960 -0.003 0.000 0.254 335 G C 0.203 175.210 174.900 0.179 0.000 1.277 335 G CA 0.285 45.477 45.100 0.153 0.000 0.909 335 G HN 0.821 nan 8.290 nan 0.000 0.502 336 D N 1.611 122.062 120.400 0.084 0.000 2.390 336 D HA -0.053 4.585 4.640 -0.003 0.000 0.235 336 D C 1.145 177.561 176.300 0.194 0.000 1.040 336 D CA 0.532 54.534 54.000 0.003 0.000 0.923 336 D CB 0.360 40.894 40.800 -0.443 0.000 0.886 336 D HN 0.405 nan 8.370 nan 0.000 0.532 337 K N -0.184 120.353 120.400 0.228 0.000 2.387 337 K HA 0.105 4.424 4.320 -0.003 0.000 0.203 337 K C -0.070 176.716 176.600 0.309 0.000 1.030 337 K CA -0.397 56.040 56.287 0.250 0.000 1.099 337 K CB 0.879 33.506 32.500 0.212 0.000 0.863 337 K HN 0.095 nan 8.250 nan 0.000 0.529 338 D N 0.132 120.732 120.400 0.334 0.000 2.210 338 D HA 0.091 4.730 4.640 -0.003 0.000 0.249 338 D C 0.288 176.784 176.300 0.327 0.000 1.062 338 D CA -0.581 53.639 54.000 0.366 0.000 0.891 338 D CB 0.883 41.910 40.800 0.379 0.000 1.186 338 D HN -0.075 nan 8.370 nan 0.000 0.432 339 F N 3.515 123.528 119.950 0.106 0.000 2.274 339 F HA 0.170 4.696 4.527 -0.003 0.000 0.288 339 F C 1.918 177.761 175.800 0.073 0.000 1.069 339 F CA 0.269 58.237 58.000 -0.054 0.000 1.343 339 F CB -0.419 38.270 39.000 -0.519 0.000 1.089 339 F HN 0.461 nan 8.300 nan 0.000 0.517 340 I N 0.182 120.690 120.570 -0.103 0.000 2.185 340 I HA -0.349 3.820 4.170 -0.003 0.000 0.246 340 I C 0.587 176.705 176.117 0.002 0.000 1.088 340 I CA 1.701 62.955 61.300 -0.076 0.000 1.347 340 I CB -0.110 37.934 38.000 0.073 0.000 1.041 340 I HN 0.308 nan 8.210 nan 0.000 0.415 341 C N 1.128 120.482 119.300 0.090 0.000 2.955 341 C HA 0.316 4.774 4.460 -0.003 0.000 0.229 341 C C 0.188 175.190 174.990 0.021 0.000 1.842 341 C CA -1.233 57.808 59.018 0.039 0.000 1.539 341 C CB -2.226 25.567 27.740 0.088 0.000 2.869 341 C HN 0.397 nan 8.230 nan 0.000 0.503 342 N N 2.212 120.881 118.700 -0.051 0.000 1.946 342 N HA -0.157 4.581 4.740 -0.003 0.000 0.299 342 N C 1.228 176.727 175.510 -0.017 0.000 1.227 342 N CA 0.892 53.931 53.050 -0.020 0.000 0.812 342 N CB 0.496 38.832 38.487 -0.253 0.000 1.038 342 N HN 0.846 nan 8.380 nan 0.000 0.485 343 W N 3.291 124.621 121.300 0.049 0.000 2.678 343 W HA 0.009 4.667 4.660 -0.003 0.000 0.256 343 W C 0.791 177.323 176.519 0.021 0.000 1.280 343 W CA 0.169 57.577 57.345 0.106 0.000 1.345 343 W CB -0.939 28.608 29.460 0.145 0.000 1.118 343 W HN 0.523 nan 8.180 nan 0.000 0.629 344 L N 1.631 121.940 121.223 -1.524 0.000 1.994 344 L HA -0.089 4.249 4.340 -0.003 0.000 0.208 344 L C 2.906 179.159 176.870 -1.028 0.000 1.071 344 L CA 2.066 56.047 54.840 -1.432 0.000 0.745 344 L CB -1.449 40.100 42.059 -0.850 0.000 0.892 344 L HN 0.106 nan 8.230 nan 0.000 0.431 345 G N -0.154 108.240 108.800 -0.676 0.000 2.511 345 G HA2 -0.278 3.681 3.960 -0.003 0.000 0.216 345 G HA3 -0.278 3.681 3.960 -0.003 0.000 0.216 345 G C 1.279 175.966 174.900 -0.355 0.000 1.218 345 G CA 0.818 45.622 45.100 -0.493 0.000 0.788 345 G HN 0.380 nan 8.290 nan 0.000 0.560 346 N N 0.540 119.122 118.700 -0.196 0.000 2.348 346 N HA -0.114 4.625 4.740 -0.003 0.000 0.185 346 N C 2.046 177.124 175.510 -0.720 0.000 1.019 346 N CA 1.127 54.086 53.050 -0.152 0.000 0.880 346 N CB -0.083 38.448 38.487 0.072 0.000 0.965 346 N HN 0.427 nan 8.380 nan 0.000 0.437 347 K N 1.453 121.349 120.400 -0.840 0.000 2.001 347 K HA -0.032 4.286 4.320 -0.003 0.000 0.208 347 K C 2.090 178.165 176.600 -0.875 0.000 1.048 347 K CA 1.263 56.764 56.287 -1.309 0.000 0.932 347 K CB -0.088 31.957 32.500 -0.757 0.000 0.715 347 K HN 0.030 nan 8.250 nan 0.000 0.437 348 A N 1.779 124.201 122.820 -0.664 0.000 1.972 348 A HA -0.142 4.176 4.320 -0.003 0.000 0.219 348 A C 2.075 179.530 177.584 -0.215 0.000 1.169 348 A CA 1.327 53.110 52.037 -0.423 0.000 0.635 348 A CB -1.050 17.648 19.000 -0.503 0.000 0.810 348 A HN 0.798 nan 8.150 nan 0.000 0.446 349 W N -0.515 120.630 121.300 -0.257 0.000 2.379 349 W HA -0.110 4.549 4.660 -0.002 0.000 0.307 349 W C 1.585 178.037 176.519 -0.112 0.000 1.200 349 W CA 1.479 58.738 57.345 -0.143 0.000 1.297 349 W CB -1.293 28.090 29.460 -0.127 0.000 1.140 349 W HN 0.219 nan 8.180 nan 0.000 0.507 350 T N 1.957 115.901 114.554 -1.017 0.000 2.652 350 T HA -0.232 4.116 4.350 -0.003 0.000 0.267 350 T C 1.061 175.550 174.700 -0.352 0.000 1.039 350 T CA 2.477 64.040 62.100 -0.896 0.000 1.153 350 T CB -0.640 67.559 68.868 -1.114 0.000 0.863 350 T HN 0.007 nan 8.240 nan 0.000 0.428 351 D N 0.480 120.738 120.400 -0.238 0.000 2.389 351 D HA -0.061 4.577 4.640 -0.003 0.000 0.221 351 D C 1.474 177.818 176.300 0.074 0.000 0.974 351 D CA 0.683 54.704 54.000 0.036 0.000 0.923 351 D CB -0.010 40.799 40.800 0.016 0.000 0.892 351 D HN 0.487 nan 8.370 nan 0.000 0.518 352 V N -2.471 117.468 119.914 0.043 0.000 3.276 352 V HA 0.310 4.429 4.120 -0.003 0.000 0.319 352 V C 0.364 176.536 176.094 0.130 0.000 1.476 352 V CA -0.716 61.646 62.300 0.103 0.000 1.097 352 V CB -0.370 31.517 31.823 0.107 0.000 0.988 352 V HN -0.101 nan 8.190 nan 0.000 0.473 353 L N 2.417 123.706 121.223 0.110 0.000 2.476 353 L HA 0.642 4.981 4.340 -0.003 0.000 0.264 353 L C -2.520 174.441 176.870 0.152 0.000 1.224 353 L CA -0.635 54.291 54.840 0.145 0.000 0.821 353 L CB 0.467 42.542 42.059 0.027 0.000 1.101 353 L HN 0.086 nan 8.230 nan 0.000 0.488 354 P HA 0.439 nan 4.420 nan 0.000 0.298 354 P C -1.760 175.703 177.300 0.271 0.000 1.334 354 P CA -0.306 62.897 63.100 0.171 0.000 0.942 354 P CB 1.296 33.037 31.700 0.068 0.000 1.162 355 W N 2.592 123.813 121.300 -0.132 0.000 3.073 355 W HA 0.125 4.783 4.660 -0.003 0.000 0.347 355 W C 0.257 176.687 176.519 -0.149 0.000 1.059 355 W CA -0.693 56.560 57.345 -0.153 0.000 1.075 355 W CB -0.103 29.231 29.460 -0.210 0.000 1.467 355 W HN 0.338 nan 8.180 nan 0.000 0.555 356 K N 0.574 120.624 120.400 -0.585 0.000 2.074 356 K HA -0.239 4.079 4.320 -0.003 0.000 0.209 356 K C 0.994 176.992 176.600 -1.003 0.000 1.048 356 K CA 2.102 57.905 56.287 -0.805 0.000 0.926 356 K CB -0.623 31.366 32.500 -0.852 0.000 0.713 356 K HN 0.410 nan 8.250 nan 0.000 0.444 357 Y N 2.017 121.340 120.300 -1.629 0.000 2.471 357 Y HA 0.048 4.597 4.550 -0.002 0.000 0.286 357 Y C 1.551 176.846 175.900 -1.009 0.000 1.188 357 Y CA -0.991 56.281 58.100 -1.379 0.000 1.286 357 Y CB -0.744 36.958 38.460 -1.263 0.000 1.072 357 Y HN 0.129 nan 8.280 nan 0.000 0.517 358 D N 1.550 121.376 120.400 -0.956 0.000 2.866 358 D HA -0.413 4.226 4.640 -0.003 0.000 0.362 358 D C 2.258 178.519 176.300 -0.064 0.000 1.109 358 D CA 2.856 56.690 54.000 -0.275 0.000 1.179 358 D CB -0.296 40.351 40.800 -0.254 0.000 1.317 358 D HN 0.416 nan 8.370 nan 0.000 0.500 359 E N 0.527 120.665 120.200 -0.105 0.000 2.114 359 E HA -0.281 4.068 4.350 -0.003 0.000 0.199 359 E C 1.977 178.528 176.600 -0.082 0.000 1.008 359 E CA 2.356 58.722 56.400 -0.057 0.000 0.810 359 E CB -0.884 28.786 29.700 -0.050 0.000 0.739 359 E HN 0.601 nan 8.360 nan 0.000 0.456 360 E N -0.283 119.789 120.200 -0.214 0.000 2.007 360 E HA -0.086 4.262 4.350 -0.003 0.000 0.203 360 E C 1.804 178.258 176.600 -0.244 0.000 1.020 360 E CA 1.170 57.331 56.400 -0.398 0.000 0.845 360 E CB -0.965 28.181 29.700 -0.923 0.000 0.779 360 E HN 0.544 nan 8.360 nan 0.000 0.466 361 F N 1.054 120.856 119.950 -0.246 0.000 2.106 361 F HA -0.338 4.188 4.527 -0.002 0.000 0.299 361 F C 2.108 177.980 175.800 0.120 0.000 1.082 361 F CA 1.935 60.025 58.000 0.149 0.000 1.244 361 F CB -0.427 38.898 39.000 0.542 0.000 0.997 361 F HN 0.073 nan 8.300 nan 0.000 0.486 362 A N -1.514 121.491 122.820 0.308 0.000 2.168 362 A HA -0.061 4.258 4.320 -0.003 0.000 0.215 362 A C 2.197 179.822 177.584 0.069 0.000 1.152 362 A CA 1.385 53.539 52.037 0.194 0.000 0.716 362 A CB -0.918 18.175 19.000 0.155 0.000 0.794 362 A HN 0.475 nan 8.150 nan 0.000 0.465 363 S N -1.355 114.358 115.700 0.022 0.000 2.470 363 S HA 0.194 4.662 4.470 -0.003 0.000 0.222 363 S C 1.375 175.967 174.600 -0.013 0.000 1.024 363 S CA 1.073 59.272 58.200 -0.000 0.000 0.931 363 S CB -0.752 62.441 63.200 -0.010 0.000 0.791 363 S HN 0.930 nan 8.310 nan 0.000 0.513 364 Q N 0.732 120.503 119.800 -0.048 0.000 2.624 364 Q HA 0.484 4.822 4.340 -0.003 0.000 0.256 364 Q C 0.035 175.997 176.000 -0.063 0.000 1.119 364 Q CA 0.709 56.477 55.803 -0.058 0.000 0.995 364 Q CB -0.771 27.897 28.738 -0.116 0.000 1.318 364 Q HN 1.096 nan 8.270 nan 0.000 0.534 365 K N 0.252 120.625 120.400 -0.044 0.000 2.316 365 K HA 0.675 4.993 4.320 -0.003 0.000 0.251 365 K C -0.377 176.208 176.600 -0.025 0.000 0.934 365 K CA -0.209 56.064 56.287 -0.023 0.000 0.802 365 K CB 1.367 33.868 32.500 0.001 0.000 1.171 365 K HN 1.089 nan 8.250 nan 0.000 0.426 366 V N 3.104 123.016 119.914 -0.003 0.000 2.673 366 V HA 0.295 4.413 4.120 -0.003 0.000 0.303 366 V C 0.607 176.706 176.094 0.010 0.000 1.046 366 V CA 0.218 62.524 62.300 0.009 0.000 1.126 366 V CB 0.264 32.116 31.823 0.047 0.000 0.934 366 V HN 0.984 nan 8.190 nan 0.000 0.487 367 R N 3.268 123.767 120.500 -0.001 0.000 2.564 367 R HA 0.477 4.815 4.340 -0.003 0.000 0.284 367 R C -0.803 175.504 176.300 0.012 0.000 1.031 367 R CA -0.910 55.197 56.100 0.012 0.000 0.904 367 R CB 1.075 31.384 30.300 0.015 0.000 1.199 367 R HN 0.642 nan 8.270 nan 0.000 0.443 368 N N 2.777 121.493 118.700 0.027 0.000 2.454 368 N HA -0.067 4.671 4.740 -0.003 0.000 0.260 368 N C -1.099 174.453 175.510 0.070 0.000 1.218 368 N CA -0.176 52.892 53.050 0.030 0.000 0.904 368 N CB 0.528 39.057 38.487 0.070 0.000 1.065 368 N HN 0.743 nan 8.380 nan 0.000 0.462 369 W N 2.314 123.520 121.300 -0.155 0.000 2.475 369 W HA 0.411 5.069 4.660 -0.003 0.000 0.317 369 W C -0.991 175.457 176.519 -0.118 0.000 1.046 369 W CA -0.588 56.674 57.345 -0.138 0.000 1.215 369 W CB 1.298 30.648 29.460 -0.184 0.000 1.335 369 W HN 0.346 nan 8.180 nan 0.000 0.471 370 T N 5.129 119.352 114.554 -0.553 0.000 2.875 370 T HA 0.598 4.946 4.350 -0.003 0.000 0.284 370 T C -0.017 173.978 174.700 -1.174 0.000 0.995 370 T CA -0.333 61.362 62.100 -0.674 0.000 1.060 370 T CB 1.221 69.868 68.868 -0.369 0.000 0.967 370 T HN 0.579 nan 8.240 nan 0.000 0.476 371 A N 2.133 124.358 122.820 -0.992 0.000 2.366 371 A HA 0.636 4.954 4.320 -0.003 0.000 0.272 371 A C 1.763 179.061 177.584 -0.478 0.000 1.135 371 A CA 0.046 51.522 52.037 -0.935 0.000 0.804 371 A CB -0.495 18.105 19.000 -0.666 0.000 1.064 371 A HN 1.108 nan 8.150 nan 0.000 0.499 372 S N 2.306 117.775 115.700 -0.384 0.000 2.407 372 S HA -0.277 4.192 4.470 -0.003 0.000 0.244 372 S C 1.666 176.176 174.600 -0.150 0.000 1.077 372 S CA 2.448 60.529 58.200 -0.199 0.000 1.159 372 S CB -0.825 62.311 63.200 -0.107 0.000 1.045 372 S HN 0.711 nan 8.310 nan 0.000 0.438 373 I N 0.752 121.244 120.570 -0.129 0.000 2.201 373 I HA -0.106 4.063 4.170 -0.003 0.000 0.233 373 I C 2.866 178.930 176.117 -0.089 0.000 1.067 373 I CA 1.670 62.922 61.300 -0.080 0.000 1.354 373 I CB -0.545 37.430 38.000 -0.042 0.000 1.108 373 I HN 0.512 nan 8.210 nan 0.000 0.411 374 T N -2.327 112.160 114.554 -0.111 0.000 3.163 374 T HA -0.114 4.235 4.350 -0.003 0.000 0.260 374 T C 0.853 175.485 174.700 -0.114 0.000 1.156 374 T CA 0.885 62.925 62.100 -0.099 0.000 1.072 374 T CB -0.645 68.161 68.868 -0.103 0.000 0.937 374 T HN 0.461 nan 8.240 nan 0.000 0.528 375 D N 0.287 120.596 120.400 -0.152 0.000 2.811 375 D HA -0.152 4.486 4.640 -0.003 0.000 0.231 375 D C -0.305 175.914 176.300 -0.135 0.000 1.157 375 D CA 0.900 54.812 54.000 -0.147 0.000 0.716 375 D CB -0.856 39.884 40.800 -0.100 0.000 1.077 375 D HN 0.722 nan 8.370 nan 0.000 0.428 376 E N -0.726 119.380 120.200 -0.157 0.000 2.312 376 E HA 0.409 4.757 4.350 -0.003 0.000 0.267 376 E C -0.126 176.396 176.600 -0.131 0.000 0.894 376 E CA -0.976 55.359 56.400 -0.107 0.000 0.773 376 E CB 2.125 31.788 29.700 -0.062 0.000 1.241 376 E HN 0.124 nan 8.360 nan 0.000 0.432 377 V N 0.825 120.713 119.914 -0.043 0.000 2.720 377 V HA 0.179 4.297 4.120 -0.003 0.000 0.307 377 V C 0.239 176.389 176.094 0.093 0.000 1.071 377 V CA 1.464 63.775 62.300 0.018 0.000 1.199 377 V CB 0.862 32.770 31.823 0.142 0.000 0.900 377 V HN 0.800 nan 8.190 nan 0.000 0.494 378 A N 3.334 126.194 122.820 0.067 0.000 2.427 378 A HA 0.836 5.154 4.320 -0.003 0.000 0.225 378 A C 0.982 178.684 177.584 0.196 0.000 1.257 378 A CA 0.612 52.772 52.037 0.205 0.000 0.985 378 A CB 0.219 19.231 19.000 0.020 0.000 1.136 378 A HN 2.005 nan 8.150 nan 0.000 0.538 379 G N -0.872 107.793 108.800 -0.226 0.000 2.450 379 G HA2 0.495 4.454 3.960 -0.003 0.000 0.273 379 G HA3 0.495 4.454 3.960 -0.003 0.000 0.273 379 G C -1.800 172.539 174.900 -0.936 0.000 1.221 379 G CA -0.296 44.281 45.100 -0.872 0.000 0.900 379 G HN 0.087 nan 8.290 nan 0.000 0.483 380 E N -0.113 119.703 120.200 -0.640 0.000 2.294 380 E HA 0.464 4.812 4.350 -0.003 0.000 0.272 380 E C -0.361 176.074 176.600 -0.274 0.000 0.896 380 E CA -0.699 55.463 56.400 -0.397 0.000 0.802 380 E CB 2.458 31.963 29.700 -0.326 0.000 1.267 380 E HN 0.700 nan 8.360 nan 0.000 0.406 381 V N 0.993 120.806 119.914 -0.167 0.000 2.834 381 V HA 0.585 4.704 4.120 -0.003 0.000 0.301 381 V C -0.091 175.962 176.094 -0.068 0.000 1.066 381 V CA -0.338 61.880 62.300 -0.137 0.000 1.052 381 V CB 1.263 33.002 31.823 -0.140 0.000 1.021 381 V HN 0.541 nan 8.190 nan 0.000 0.480 382 K N 2.357 122.710 120.400 -0.078 0.000 2.761 382 K HA 0.412 4.731 4.320 -0.003 0.000 0.257 382 K C -1.245 175.246 176.600 -0.182 0.000 1.053 382 K CA 0.013 56.204 56.287 -0.160 0.000 1.035 382 K CB 1.783 34.195 32.500 -0.147 0.000 1.267 382 K HN 0.873 nan 8.250 nan 0.000 0.505 383 S N 2.650 118.265 115.700 -0.141 0.000 2.473 383 S HA 0.629 5.098 4.470 -0.003 0.000 0.307 383 S C -1.744 172.914 174.600 0.097 0.000 1.094 383 S CA -0.430 57.769 58.200 -0.001 0.000 1.070 383 S CB 0.611 63.828 63.200 0.027 0.000 1.019 383 S HN 0.489 nan 8.310 nan 0.000 0.480 384 Y N 5.208 125.612 120.300 0.174 0.000 2.287 384 Y HA 0.294 4.842 4.550 -0.002 0.000 0.321 384 Y C 0.210 176.306 175.900 0.327 0.000 1.173 384 Y CA -0.517 57.736 58.100 0.256 0.000 1.124 384 Y CB 0.396 39.083 38.460 0.377 0.000 1.201 384 Y HN 0.851 nan 8.280 nan 0.000 0.421 385 K N 1.560 121.788 120.400 -0.288 0.000 1.779 385 K HA -0.323 3.995 4.320 -0.003 0.000 0.128 385 K C 0.221 176.837 176.600 0.027 0.000 1.288 385 K CA 2.062 58.205 56.287 -0.241 0.000 0.398 385 K CB -1.108 31.186 32.500 -0.342 0.000 0.609 385 K HN 1.037 nan 8.250 nan 0.000 0.874 386 H N 0.277 119.563 119.070 0.360 0.000 2.568 386 H HA 0.553 5.107 4.556 -0.002 0.000 0.302 386 H C -0.398 175.175 175.328 0.408 0.000 1.065 386 H CA -0.470 55.761 56.048 0.306 0.000 1.140 386 H CB -0.474 29.414 29.762 0.209 0.000 1.474 386 H HN 0.273 nan 8.280 nan 0.000 0.545 387 F N 1.471 121.671 119.950 0.418 0.000 2.536 387 F HA 0.594 5.120 4.527 -0.003 0.000 0.322 387 F C -1.101 174.969 175.800 0.449 0.000 1.144 387 F CA -0.812 57.328 58.000 0.233 0.000 0.924 387 F CB 1.913 40.723 39.000 -0.317 0.000 1.181 387 F HN 0.053 nan 8.300 nan 0.000 0.438 388 T N 5.620 120.060 114.554 -0.190 0.000 2.952 388 T HA 0.284 4.632 4.350 -0.003 0.000 0.305 388 T C -2.111 172.434 174.700 -0.259 0.000 1.064 388 T CA -0.507 61.553 62.100 -0.066 0.000 1.008 388 T CB 1.345 70.295 68.868 0.136 0.000 1.078 388 T HN 0.420 nan 8.240 nan 0.000 0.459 389 Y N 3.636 123.792 120.300 -0.239 0.000 2.338 389 Y HA 0.684 5.233 4.550 -0.003 0.000 0.328 389 Y C -1.490 174.300 175.900 -0.183 0.000 0.965 389 Y CA -1.544 56.406 58.100 -0.250 0.000 1.208 389 Y CB 0.786 39.138 38.460 -0.181 0.000 1.132 389 Y HN 0.549 nan 8.280 nan 0.000 0.469 390 L N 7.705 128.358 121.223 -0.950 0.000 2.262 390 L HA 0.508 4.846 4.340 -0.003 0.000 0.288 390 L C -0.393 175.900 176.870 -0.961 0.000 1.035 390 L CA -0.514 53.810 54.840 -0.860 0.000 0.820 390 L CB 0.674 42.305 42.059 -0.712 0.000 1.204 390 L HN 0.731 nan 8.230 nan 0.000 0.424 391 R N 4.861 124.923 120.500 -0.730 0.000 2.216 391 R HA 0.395 4.733 4.340 -0.003 0.000 0.332 391 R C -1.460 174.594 176.300 -0.411 0.000 1.056 391 R CA -0.501 55.356 56.100 -0.404 0.000 0.901 391 R CB 0.846 31.012 30.300 -0.224 0.000 1.039 391 R HN 0.534 nan 8.270 nan 0.000 0.456 392 V N 6.936 126.703 119.914 -0.246 0.000 2.385 392 V HA 0.184 4.303 4.120 -0.003 0.000 0.269 392 V C -0.099 176.000 176.094 0.007 0.000 1.043 392 V CA -0.338 61.869 62.300 -0.156 0.000 0.906 392 V CB 0.422 32.217 31.823 -0.046 0.000 0.995 392 V HN 0.582 nan 8.190 nan 0.000 0.467 393 F N 5.344 125.263 119.950 -0.053 0.000 2.471 393 F HA 0.277 4.803 4.527 -0.003 0.000 0.353 393 F C 1.444 177.230 175.800 -0.023 0.000 1.113 393 F CA -0.504 57.454 58.000 -0.069 0.000 1.262 393 F CB 0.001 38.980 39.000 -0.035 0.000 1.146 393 F HN 0.670 nan 8.300 nan 0.000 0.578 394 N N -0.002 118.791 118.700 0.155 0.000 2.725 394 N HA -0.170 4.568 4.740 -0.003 0.000 0.249 394 N C 0.030 175.610 175.510 0.117 0.000 1.103 394 N CA 0.923 54.032 53.050 0.099 0.000 0.707 394 N CB -1.469 37.057 38.487 0.064 0.000 1.043 394 N HN 0.795 nan 8.380 nan 0.000 0.553 395 G N -0.956 107.921 108.800 0.129 0.000 2.332 395 G HA2 0.636 4.595 3.960 -0.003 0.000 0.310 395 G HA3 0.636 4.595 3.960 -0.003 0.000 0.310 395 G C 0.545 175.560 174.900 0.191 0.000 1.123 395 G CA 0.218 45.406 45.100 0.148 0.000 0.873 395 G HN 0.339 nan 8.290 nan 0.000 0.460 396 G N 0.119 109.056 108.800 0.227 0.000 2.932 396 G HA2 0.373 4.332 3.960 -0.003 0.000 0.283 396 G HA3 0.373 4.332 3.960 -0.003 0.000 0.283 396 G C 0.617 175.685 174.900 0.279 0.000 1.336 396 G CA -0.477 44.800 45.100 0.294 0.000 1.056 396 G HN 0.682 nan 8.290 nan 0.000 0.522 397 H N -0.820 118.396 119.070 0.242 0.000 2.450 397 H HA -0.113 4.441 4.556 -0.002 0.000 0.291 397 H C 0.763 176.118 175.328 0.045 0.000 1.128 397 H CA 1.777 57.906 56.048 0.134 0.000 1.203 397 H CB 0.085 29.892 29.762 0.075 0.000 1.356 397 H HN 0.042 nan 8.280 nan 0.000 0.503 398 M N -0.262 119.362 119.600 0.041 0.000 1.999 398 M HA 0.083 4.561 4.480 -0.003 0.000 0.299 398 M C 0.848 177.176 176.300 0.047 0.000 0.900 398 M CA -0.282 55.001 55.300 -0.028 0.000 0.904 398 M CB 1.463 34.006 32.600 -0.095 0.000 1.477 398 M HN -0.012 nan 8.290 nan 0.000 0.403 399 V N 4.249 124.216 119.914 0.089 0.000 2.332 399 V HA -0.142 3.977 4.120 -0.003 0.000 0.248 399 V C -0.767 175.366 176.094 0.065 0.000 1.055 399 V CA 2.142 64.518 62.300 0.127 0.000 1.038 399 V CB -0.998 30.950 31.823 0.208 0.000 0.651 399 V HN 0.544 nan 8.190 nan 0.000 0.450 400 P HA -0.068 nan 4.420 nan 0.000 0.252 400 P C 0.734 177.952 177.300 -0.137 0.000 1.265 400 P CA 0.912 63.934 63.100 -0.129 0.000 0.775 400 P CB -0.141 31.289 31.700 -0.450 0.000 1.128 401 F N 0.115 119.894 119.950 -0.287 0.000 2.577 401 F HA 0.159 4.684 4.527 -0.003 0.000 0.276 401 F C 1.492 177.143 175.800 -0.247 0.000 1.032 401 F CA 0.320 58.080 58.000 -0.399 0.000 1.297 401 F CB -0.168 38.372 39.000 -0.767 0.000 1.061 401 F HN -0.277 nan 8.300 nan 0.000 0.680 402 D N 1.397 121.860 120.400 0.106 0.000 2.075 402 D HA -0.063 4.576 4.640 -0.003 0.000 0.196 402 D C 0.651 176.878 176.300 -0.122 0.000 0.985 402 D CA 2.115 56.099 54.000 -0.026 0.000 0.834 402 D CB -0.392 40.526 40.800 0.197 0.000 0.987 402 D HN 0.252 nan 8.370 nan 0.000 0.452 403 V N -0.771 119.111 119.914 -0.055 0.000 2.235 403 V HA 0.232 4.351 4.120 -0.003 0.000 0.266 403 V C -2.253 173.770 176.094 -0.118 0.000 1.055 403 V CA -1.519 60.726 62.300 -0.092 0.000 0.844 403 V CB 1.411 33.214 31.823 -0.033 0.000 1.097 403 V HN -0.164 nan 8.190 nan 0.000 0.453 404 P HA -0.093 nan 4.420 nan 0.000 0.219 404 P C 1.419 178.537 177.300 -0.303 0.000 1.150 404 P CA 1.345 64.341 63.100 -0.173 0.000 0.814 404 P CB 0.397 32.036 31.700 -0.102 0.000 0.787 405 E N 0.556 120.363 120.200 -0.656 0.000 2.017 405 E HA -0.209 4.140 4.350 -0.003 0.000 0.193 405 E C 1.681 178.158 176.600 -0.204 0.000 0.997 405 E CA 1.281 57.286 56.400 -0.660 0.000 0.804 405 E CB -1.449 27.863 29.700 -0.647 0.000 0.757 405 E HN 0.243 nan 8.360 nan 0.000 0.448 406 N N 1.934 120.556 118.700 -0.131 0.000 2.061 406 N HA -0.167 4.572 4.740 -0.003 0.000 0.193 406 N C 1.916 177.499 175.510 0.123 0.000 1.030 406 N CA 1.930 54.996 53.050 0.026 0.000 0.856 406 N CB -0.703 37.828 38.487 0.073 0.000 1.023 406 N HN 0.330 nan 8.380 nan 0.000 0.424 407 A N 0.896 123.778 122.820 0.104 0.000 1.869 407 A HA -0.178 4.140 4.320 -0.003 0.000 0.218 407 A C 2.140 179.811 177.584 0.146 0.000 1.203 407 A CA 1.571 53.725 52.037 0.195 0.000 0.638 407 A CB -1.072 18.139 19.000 0.352 0.000 0.831 407 A HN 0.271 nan 8.150 nan 0.000 0.450 408 L N -0.039 121.282 121.223 0.164 0.000 2.083 408 L HA -0.080 4.258 4.340 -0.003 0.000 0.209 408 L C 2.564 179.415 176.870 -0.032 0.000 1.083 408 L CA 2.357 57.193 54.840 -0.007 0.000 0.752 408 L CB -0.940 41.173 42.059 0.091 0.000 0.899 408 L HN 0.348 nan 8.230 nan 0.000 0.433 409 S N -0.745 114.976 115.700 0.035 0.000 2.353 409 S HA -0.256 4.212 4.470 -0.003 0.000 0.222 409 S C 1.954 176.654 174.600 0.167 0.000 1.035 409 S CA 1.871 60.105 58.200 0.058 0.000 1.025 409 S CB -0.380 62.831 63.200 0.019 0.000 0.902 409 S HN 0.570 nan 8.310 nan 0.000 0.440 410 M N 1.180 120.929 119.600 0.249 0.000 2.086 410 M HA -0.127 4.352 4.480 -0.003 0.000 0.261 410 M C 1.947 178.193 176.300 -0.089 0.000 1.067 410 M CA 1.528 56.892 55.300 0.108 0.000 1.116 410 M CB -0.397 32.064 32.600 -0.230 0.000 1.348 410 M HN 0.174 nan 8.290 nan 0.000 0.407 411 V N 1.460 121.225 119.914 -0.249 0.000 2.220 411 V HA -0.366 3.752 4.120 -0.003 0.000 0.242 411 V C 1.957 177.901 176.094 -0.250 0.000 1.041 411 V CA 2.559 64.585 62.300 -0.457 0.000 0.990 411 V CB -1.154 30.023 31.823 -1.076 0.000 0.634 411 V HN 0.595 nan 8.190 nan 0.000 0.452 412 N N -0.195 118.382 118.700 -0.204 0.000 2.037 412 N HA -0.290 4.449 4.740 -0.003 0.000 0.196 412 N C 1.857 177.373 175.510 0.010 0.000 1.034 412 N CA 1.705 54.720 53.050 -0.059 0.000 0.861 412 N CB -0.216 38.279 38.487 0.014 0.000 1.039 412 N HN 0.731 nan 8.380 nan 0.000 0.427 413 E N 0.179 120.396 120.200 0.028 0.000 2.396 413 E HA -0.216 4.133 4.350 -0.003 0.000 0.200 413 E C 1.680 178.281 176.600 0.003 0.000 1.023 413 E CA 0.718 57.140 56.400 0.037 0.000 0.857 413 E CB -0.169 29.593 29.700 0.102 0.000 0.775 413 E HN 0.565 nan 8.360 nan 0.000 0.525 414 W N 1.059 122.251 121.300 -0.180 0.000 2.783 414 W HA -0.063 4.596 4.660 -0.002 0.000 0.287 414 W C 2.009 178.318 176.519 -0.349 0.000 1.085 414 W CA 0.892 58.102 57.345 -0.224 0.000 1.646 414 W CB -0.598 28.770 29.460 -0.154 0.000 1.135 414 W HN 0.031 nan 8.180 nan 0.000 0.548 415 I N 1.939 122.490 120.570 -0.031 0.000 2.143 415 I HA -0.359 3.809 4.170 -0.003 0.000 0.245 415 I C 2.364 178.152 176.117 -0.549 0.000 1.068 415 I CA 2.387 63.510 61.300 -0.295 0.000 1.326 415 I CB -2.137 35.579 38.000 -0.474 0.000 1.028 415 I HN 0.249 nan 8.210 nan 0.000 0.412 416 H N 0.114 119.023 119.070 -0.268 0.000 2.422 416 H HA 0.249 4.803 4.556 -0.003 0.000 0.303 416 H C 2.462 177.597 175.328 -0.323 0.000 1.033 416 H CA 0.927 56.823 56.048 -0.253 0.000 1.335 416 H CB -0.538 29.141 29.762 -0.137 0.000 1.458 416 H HN 0.506 nan 8.280 nan 0.000 0.556 417 G N 0.656 109.343 108.800 -0.188 0.000 3.229 417 G HA2 0.167 4.125 3.960 -0.003 0.000 0.214 417 G HA3 0.167 4.125 3.960 -0.003 0.000 0.214 417 G C 0.969 175.683 174.900 -0.310 0.000 1.256 417 G CA 0.511 45.499 45.100 -0.188 0.000 1.042 417 G HN 0.626 nan 8.290 nan 0.000 0.497 418 G N -0.357 108.120 108.800 -0.538 0.000 2.182 418 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.248 418 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.248 418 G C 0.493 175.113 174.900 -0.467 0.000 1.042 418 G CA -0.131 44.689 45.100 -0.465 0.000 0.775 418 G HN 1.069 nan 8.290 nan 0.000 0.501 419 F N -1.374 118.199 119.950 -0.629 0.000 3.091 419 F HA -0.199 4.326 4.527 -0.003 0.000 0.288 419 F C 1.056 176.470 175.800 -0.643 0.000 0.907 419 F CA 1.388 58.680 58.000 -1.181 0.000 1.028 419 F CB -2.267 36.144 39.000 -0.983 0.000 1.022 419 F HN 1.295 nan 8.300 nan 0.000 0.665 420 S N -1.255 114.299 115.700 -0.243 0.000 2.588 420 S HA 0.926 5.394 4.470 -0.003 0.000 0.275 420 S C -0.588 174.057 174.600 0.074 0.000 1.130 420 S CA -1.220 56.978 58.200 -0.003 0.000 0.855 420 S CB 2.833 66.023 63.200 -0.017 0.000 1.116 420 S HN 0.249 nan 8.310 nan 0.000 0.472 421 L N 0.000 121.291 121.223 0.114 0.000 2.949 421 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 421 L CA 0.000 54.911 54.840 0.119 0.000 0.813 421 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 421 L HN 0.000 nan 8.230 nan 0.000 0.502