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 1eak_1_D DATA FIRST_RESID 32 DATA SEQUENCE SPIIKFPGDV APKTDKELAV QYLNTFYGcP KEScNLFVLK DTLKKMQKFF DATA SEQUENCE GLPQTGDLDQ NTIETMRKPR CGNPDVANYN FFPRKPKWDK NQITYRIIGY DATA SEQUENCE TPDLDPETVD DAFARAFQVW SDVTPLRFSR IHDGEADIMI NFGRWEHGDG DATA SEQUENCE YPFDGKDGLL AHAFAPGTGV GGDSHFDDDE LWTLGEGQVV RVKYGNADGE DATA SEQUENCE YcKFPFLFNG KEYNScTDTG RSDGFLWcST TYNFEKDGKY GFcPHEALFT DATA SEQUENCE MGGNAEGQPc KFPFRFQGTS YDScTTEGRT DGYRWcGTTE DYDRDKKYGF DATA SEQUENCE cPETAMSTVG GNSEGAPcVF PFTFLGNKYE ScTSAGRSDG KMWcATTANY DATA SEQUENCE DDDRKWGFcP DQGYSLFLVA AHQFGHAMGL EHSQDPGALM APIYTYTKNF DATA SEQUENCE RLSQDDIKGI QELYGASPD 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 32 S HA 0.000 nan 4.470 nan 0.000 0.327 32 S C 0.000 174.660 174.600 0.100 0.000 1.055 32 S CA 0.000 58.267 58.200 0.112 0.000 1.107 32 S CB 0.000 63.252 63.200 0.086 0.000 0.593 33 P HA 0.456 nan 4.420 nan 0.000 0.271 33 P C -0.156 177.188 177.300 0.075 0.000 1.220 33 P CA -0.291 62.840 63.100 0.053 0.000 0.768 33 P CB 0.286 31.995 31.700 0.016 0.000 0.848 34 I N 1.902 122.497 120.570 0.042 0.000 2.294 34 I HA 0.312 4.482 4.170 -0.000 0.000 0.295 34 I C 0.426 176.508 176.117 -0.059 0.000 1.098 34 I CA -0.610 60.705 61.300 0.025 0.000 1.277 34 I CB -0.081 37.935 38.000 0.027 0.000 1.434 34 I HN 0.233 nan 8.210 nan 0.000 0.498 35 I N 5.279 125.757 120.570 -0.153 0.000 3.062 35 I HA 0.385 4.555 4.170 -0.000 0.000 0.318 35 I C 0.116 175.928 176.117 -0.508 0.000 1.026 35 I CA -0.543 60.568 61.300 -0.315 0.000 1.096 35 I CB 1.225 39.001 38.000 -0.374 0.000 1.348 35 I HN 0.456 nan 8.210 nan 0.000 0.543 36 K N 3.201 123.324 120.400 -0.462 0.000 2.240 36 K HA 0.409 4.729 4.320 -0.000 0.000 0.271 36 K C -1.684 174.598 176.600 -0.531 0.000 1.018 36 K CA -0.063 55.992 56.287 -0.387 0.000 0.874 36 K CB 0.327 32.724 32.500 -0.170 0.000 1.098 36 K HN 0.271 nan 8.250 nan 0.000 0.458 37 F N 6.281 126.043 119.950 -0.313 0.000 2.411 37 F HA 0.317 4.844 4.527 -0.000 0.000 0.350 37 F C -1.563 174.186 175.800 -0.085 0.000 1.114 37 F CA -2.353 55.365 58.000 -0.470 0.000 1.135 37 F CB 0.956 39.136 39.000 -1.368 0.000 1.120 37 F HN 0.456 nan 8.300 nan 0.000 0.495 38 P HA 0.076 nan 4.420 nan 0.000 0.258 38 P C 0.788 178.350 177.300 0.437 0.000 1.187 38 P CA 1.187 64.467 63.100 0.299 0.000 0.767 38 P CB 0.509 32.356 31.700 0.245 0.000 0.770 39 G N 3.718 112.679 108.800 0.268 0.000 2.604 39 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.205 39 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.205 39 G C -0.248 174.797 174.900 0.242 0.000 1.186 39 G CA 0.047 45.269 45.100 0.203 0.000 0.753 39 G HN 0.679 nan 8.290 nan 0.000 0.526 40 D N 2.225 122.898 120.400 0.455 0.000 2.629 40 D HA 0.283 4.923 4.640 -0.000 0.000 0.228 40 D C 1.053 177.510 176.300 0.262 0.000 1.127 40 D CA 0.456 54.718 54.000 0.436 0.000 0.855 40 D CB 0.519 41.655 40.800 0.560 0.000 1.180 40 D HN 1.347 nan 8.370 nan 0.000 0.484 41 V N -0.683 119.377 119.914 0.243 0.000 2.434 41 V HA 0.382 4.502 4.120 -0.000 0.000 0.281 41 V C 0.912 177.092 176.094 0.143 0.000 1.005 41 V CA -0.824 61.573 62.300 0.163 0.000 1.089 41 V CB -0.876 31.041 31.823 0.156 0.000 0.978 41 V HN 0.744 nan 8.190 nan 0.000 0.474 42 A N 7.562 130.444 122.820 0.103 0.000 2.520 42 A HA 0.520 4.840 4.320 -0.000 0.000 0.245 42 A C -0.980 176.648 177.584 0.073 0.000 1.072 42 A CA -0.873 51.212 52.037 0.080 0.000 0.761 42 A CB -0.537 18.496 19.000 0.055 0.000 1.004 42 A HN 0.936 nan 8.150 nan 0.000 0.499 43 P HA 0.148 nan 4.420 nan 0.000 0.268 43 P C -0.324 177.008 177.300 0.054 0.000 1.205 43 P CA -0.219 62.919 63.100 0.064 0.000 0.771 43 P CB 0.533 32.267 31.700 0.055 0.000 0.858 44 K N 0.938 121.374 120.400 0.060 0.000 2.230 44 K HA 0.178 4.498 4.320 -0.000 0.000 0.253 44 K C 0.703 177.329 176.600 0.044 0.000 1.008 44 K CA -0.007 56.312 56.287 0.053 0.000 0.910 44 K CB 0.169 32.708 32.500 0.065 0.000 0.994 44 K HN 0.411 nan 8.250 nan 0.000 0.495 45 T N 0.575 115.151 114.554 0.036 0.000 2.868 45 T HA 0.001 4.351 4.350 -0.000 0.000 0.292 45 T C 0.941 175.659 174.700 0.030 0.000 1.028 45 T CA -0.404 61.713 62.100 0.028 0.000 1.059 45 T CB 0.557 69.438 68.868 0.021 0.000 0.991 45 T HN 0.369 nan 8.240 nan 0.000 0.531 46 D N 1.229 121.642 120.400 0.021 0.000 2.116 46 D HA -0.094 4.545 4.640 -0.000 0.000 0.193 46 D C 1.992 178.302 176.300 0.017 0.000 0.998 46 D CA 1.556 55.566 54.000 0.016 0.000 0.836 46 D CB 0.067 40.871 40.800 0.007 0.000 0.951 46 D HN 0.543 nan 8.370 nan 0.000 0.449 47 K N 0.311 120.721 120.400 0.016 0.000 2.103 47 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 47 K C 1.874 178.490 176.600 0.026 0.000 1.052 47 K CA 0.880 57.176 56.287 0.016 0.000 0.945 47 K CB 0.123 32.630 32.500 0.011 0.000 0.722 47 K HN 0.078 nan 8.250 nan 0.000 0.443 48 E N 0.555 120.773 120.200 0.030 0.000 2.021 48 E HA -0.257 4.093 4.350 -0.000 0.000 0.200 48 E C 1.914 178.550 176.600 0.060 0.000 1.015 48 E CA 1.680 58.103 56.400 0.038 0.000 0.824 48 E CB -0.236 29.486 29.700 0.038 0.000 0.762 48 E HN 0.207 nan 8.360 nan 0.000 0.454 49 L N 0.975 122.241 121.223 0.072 0.000 2.021 49 L HA -0.283 4.056 4.340 -0.000 0.000 0.215 49 L C 2.161 179.117 176.870 0.143 0.000 1.074 49 L CA 2.442 57.350 54.840 0.113 0.000 0.760 49 L CB -0.804 41.313 42.059 0.097 0.000 0.889 49 L HN 0.152 nan 8.230 nan 0.000 0.433 50 A N -0.984 121.887 122.820 0.086 0.000 1.873 50 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 50 A C 2.214 179.865 177.584 0.112 0.000 1.193 50 A CA 2.707 54.788 52.037 0.073 0.000 0.629 50 A CB -1.331 17.680 19.000 0.018 0.000 0.826 50 A HN 0.385 nan 8.150 nan 0.000 0.447 51 V N -0.400 119.559 119.914 0.075 0.000 2.515 51 V HA -0.237 3.882 4.120 -0.000 0.000 0.250 51 V C 2.664 178.802 176.094 0.074 0.000 1.058 51 V CA 1.892 64.228 62.300 0.059 0.000 1.064 51 V CB -0.880 30.958 31.823 0.026 0.000 0.675 51 V HN 0.502 nan 8.190 nan 0.000 0.461 52 Q N -0.546 119.306 119.800 0.087 0.000 1.993 52 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 52 Q C 2.198 178.226 176.000 0.046 0.000 0.984 52 Q CA 2.122 57.958 55.803 0.055 0.000 0.837 52 Q CB -0.560 28.225 28.738 0.078 0.000 0.902 52 Q HN 0.713 nan 8.270 nan 0.000 0.423 53 Y N 1.179 121.517 120.300 0.065 0.000 2.053 53 Y HA -0.251 4.299 4.550 -0.000 0.000 0.277 53 Y C 2.310 178.353 175.900 0.239 0.000 1.159 53 Y CA 1.747 59.972 58.100 0.210 0.000 1.125 53 Y CB -0.472 38.174 38.460 0.310 0.000 0.969 53 Y HN 0.061 nan 8.280 nan 0.000 0.492 54 L N -0.040 121.479 121.223 0.493 0.000 2.127 54 L HA -0.261 4.079 4.340 -0.000 0.000 0.211 54 L C 2.195 179.218 176.870 0.256 0.000 1.089 54 L CA 1.765 56.878 54.840 0.455 0.000 0.757 54 L CB -0.707 41.470 42.059 0.196 0.000 0.899 54 L HN 0.335 nan 8.230 nan 0.000 0.434 55 N N -0.401 118.348 118.700 0.082 0.000 2.216 55 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 55 N C 1.663 177.093 175.510 -0.133 0.000 1.017 55 N CA 1.832 54.873 53.050 -0.014 0.000 0.861 55 N CB -0.001 38.468 38.487 -0.030 0.000 0.986 55 N HN 0.089 nan 8.380 nan 0.000 0.428 56 T N -0.894 113.459 114.554 -0.335 0.000 2.851 56 T HA 0.046 4.396 4.350 -0.000 0.000 0.262 56 T C 0.831 175.132 174.700 -0.664 0.000 1.043 56 T CA 1.110 62.832 62.100 -0.630 0.000 1.140 56 T CB -0.236 67.967 68.868 -1.109 0.000 0.872 56 T HN 0.223 nan 8.240 nan 0.000 0.446 57 F N -1.331 118.500 119.950 -0.198 0.000 2.717 57 F HA 0.391 4.918 4.527 -0.000 0.000 0.297 57 F C 1.170 176.598 175.800 -0.620 0.000 1.113 57 F CA -0.676 57.062 58.000 -0.436 0.000 1.319 57 F CB -0.057 38.612 39.000 -0.552 0.000 1.097 57 F HN 0.122 nan 8.300 nan 0.000 0.595 58 Y N -0.451 119.894 120.300 0.075 0.000 2.453 58 Y HA 0.449 4.999 4.550 -0.000 0.000 0.247 58 Y C 1.761 177.664 175.900 0.006 0.000 1.124 58 Y CA -0.085 58.043 58.100 0.047 0.000 1.243 58 Y CB 0.583 39.099 38.460 0.093 0.000 1.213 58 Y HN 0.030 nan 8.280 nan 0.000 0.523 59 G N 0.304 109.151 108.800 0.077 0.000 2.149 59 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.235 59 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.235 59 G C 0.004 174.934 174.900 0.049 0.000 1.018 59 G CA -0.079 45.043 45.100 0.036 0.000 0.728 59 G HN 0.337 nan 8.290 nan 0.000 0.508 60 c N 1.438 120.078 118.600 0.066 0.000 2.632 60 c HA 0.514 5.084 4.570 -0.000 0.000 0.415 60 c C -1.331 172.759 174.090 0.000 0.000 1.332 60 c CA -1.567 54.781 56.329 0.032 0.000 1.874 60 c CB 0.133 42.665 42.510 0.037 0.000 2.596 60 c HN 0.417 nan 8.230 nan 0.000 0.590 61 P HA 0.005 nan 4.420 nan 0.000 0.256 61 P C 0.610 177.893 177.300 -0.028 0.000 1.189 61 P CA 0.405 63.490 63.100 -0.025 0.000 0.808 61 P CB 0.213 31.891 31.700 -0.036 0.000 0.793 62 K N 4.259 124.646 120.400 -0.023 0.000 2.127 62 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 62 K C 0.843 177.430 176.600 -0.023 0.000 1.047 62 K CA 1.788 58.062 56.287 -0.022 0.000 0.927 62 K CB -0.559 31.927 32.500 -0.022 0.000 0.716 62 K HN 0.370 nan 8.250 nan 0.000 0.450 63 E N 0.691 120.876 120.200 -0.024 0.000 2.299 63 E HA 0.028 4.378 4.350 -0.000 0.000 0.193 63 E C 0.284 176.867 176.600 -0.030 0.000 0.998 63 E CA 0.469 56.855 56.400 -0.023 0.000 0.851 63 E CB 0.308 29.997 29.700 -0.019 0.000 0.795 63 E HN 0.319 nan 8.360 nan 0.000 0.492 64 S N 0.046 115.719 115.700 -0.044 0.000 2.665 64 S HA 0.110 4.580 4.470 -0.000 0.000 0.235 64 S C 0.283 174.812 174.600 -0.118 0.000 1.084 64 S CA -0.506 57.652 58.200 -0.071 0.000 1.151 64 S CB -0.058 63.105 63.200 -0.062 0.000 1.151 64 S HN 0.170 nan 8.310 nan 0.000 0.461 65 c N 3.808 122.352 118.600 -0.094 0.000 2.492 65 c HA 0.207 4.777 4.570 -0.000 0.000 0.317 65 c C 1.937 175.956 174.090 -0.119 0.000 1.347 65 c CA -0.431 55.834 56.329 -0.107 0.000 1.759 65 c CB -2.125 40.354 42.510 -0.052 0.000 2.127 65 c HN 0.810 nan 8.230 nan 0.000 0.579 66 N N 1.403 120.017 118.700 -0.142 0.000 2.046 66 N HA -0.054 4.685 4.740 -0.000 0.000 0.190 66 N C 0.107 175.543 175.510 -0.124 0.000 1.085 66 N CA 1.198 54.186 53.050 -0.103 0.000 0.876 66 N CB -0.151 38.299 38.487 -0.061 0.000 1.052 66 N HN 0.456 nan 8.380 nan 0.000 0.432 67 L N -1.284 119.830 121.223 -0.182 0.000 2.409 67 L HA 0.292 4.632 4.340 -0.000 0.000 0.262 67 L C -0.493 176.248 176.870 -0.215 0.000 0.992 67 L CA -0.688 54.114 54.840 -0.063 0.000 0.817 67 L CB 1.983 44.113 42.059 0.119 0.000 1.350 67 L HN 0.547 nan 8.230 nan 0.000 0.411 68 F N 0.883 120.835 119.950 0.004 0.000 2.656 68 F HA -0.236 4.291 4.527 -0.000 0.000 0.381 68 F C -0.148 175.657 175.800 0.007 0.000 0.603 68 F CA 0.824 58.827 58.000 0.005 0.000 1.335 68 F CB -1.973 37.030 39.000 0.005 0.000 1.836 68 F HN 0.092 nan 8.300 nan 0.000 0.290 69 V N 0.540 120.183 119.914 -0.452 0.000 3.477 69 V HA 0.251 4.371 4.120 -0.000 0.000 0.297 69 V C 1.445 177.442 176.094 -0.163 0.000 1.433 69 V CA 0.640 62.753 62.300 -0.311 0.000 1.052 69 V CB 0.981 32.540 31.823 -0.441 0.000 0.895 69 V HN 0.536 nan 8.190 nan 0.000 0.438 70 L N -0.405 120.736 121.223 -0.135 0.000 2.575 70 L HA 0.346 4.686 4.340 -0.000 0.000 0.228 70 L C 2.093 178.933 176.870 -0.049 0.000 1.075 70 L CA 1.385 56.177 54.840 -0.080 0.000 0.867 70 L CB -0.142 41.873 42.059 -0.074 0.000 1.097 70 L HN 0.136 nan 8.230 nan 0.000 0.485 71 K N 0.362 120.748 120.400 -0.022 0.000 1.985 71 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 71 K C 1.449 178.045 176.600 -0.007 0.000 1.047 71 K CA 2.389 58.676 56.287 0.000 0.000 0.932 71 K CB -0.242 32.282 32.500 0.041 0.000 0.716 71 K HN 0.426 nan 8.250 nan 0.000 0.439 72 D N -0.006 120.397 120.400 0.005 0.000 2.087 72 D HA -0.169 4.471 4.640 -0.000 0.000 0.192 72 D C 1.871 178.160 176.300 -0.018 0.000 0.993 72 D CA 2.013 56.017 54.000 0.007 0.000 0.828 72 D CB -0.878 39.937 40.800 0.025 0.000 0.968 72 D HN 0.231 nan 8.370 nan 0.000 0.448 73 T N 0.767 115.300 114.554 -0.033 0.000 2.652 73 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 73 T C 1.803 176.390 174.700 -0.189 0.000 1.039 73 T CA 0.782 62.839 62.100 -0.072 0.000 1.153 73 T CB -0.505 68.343 68.868 -0.033 0.000 0.863 73 T HN 0.019 nan 8.240 nan 0.000 0.428 74 L N 2.290 123.428 121.223 -0.141 0.000 2.051 74 L HA -0.209 4.131 4.340 -0.000 0.000 0.214 74 L C 2.255 179.035 176.870 -0.150 0.000 1.076 74 L CA 1.974 56.719 54.840 -0.159 0.000 0.758 74 L CB -0.670 41.338 42.059 -0.085 0.000 0.890 74 L HN 0.395 nan 8.230 nan 0.000 0.433 75 K N -1.275 119.075 120.400 -0.084 0.000 2.116 75 K HA -0.128 4.191 4.320 -0.000 0.000 0.203 75 K C 1.978 178.561 176.600 -0.029 0.000 1.052 75 K CA 1.035 57.300 56.287 -0.038 0.000 0.952 75 K CB -0.486 32.010 32.500 -0.007 0.000 0.729 75 K HN 0.237 nan 8.250 nan 0.000 0.446 76 K N 0.631 121.000 120.400 -0.052 0.000 2.127 76 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 76 K C 2.251 178.868 176.600 0.028 0.000 1.047 76 K CA 1.782 58.074 56.287 0.008 0.000 0.927 76 K CB -0.228 32.288 32.500 0.027 0.000 0.716 76 K HN 0.294 nan 8.250 nan 0.000 0.450 77 M N 1.516 120.950 119.600 -0.276 0.000 2.160 77 M HA -0.169 4.311 4.480 -0.000 0.000 0.264 77 M C 2.087 178.542 176.300 0.259 0.000 1.073 77 M CA 1.720 56.877 55.300 -0.238 0.000 1.142 77 M CB -0.260 31.807 32.600 -0.888 0.000 1.358 77 M HN 0.150 nan 8.290 nan 0.000 0.422 78 Q N 0.100 119.965 119.800 0.108 0.000 2.167 78 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 78 Q C 1.994 178.118 176.000 0.207 0.000 0.970 78 Q CA 1.565 57.472 55.803 0.174 0.000 0.855 78 Q CB -0.666 28.109 28.738 0.062 0.000 0.911 78 Q HN 0.575 nan 8.270 nan 0.000 0.438 79 K N 1.005 121.501 120.400 0.160 0.000 1.991 79 K HA -0.227 4.093 4.320 -0.000 0.000 0.212 79 K C 1.946 178.650 176.600 0.173 0.000 1.049 79 K CA 1.519 57.888 56.287 0.136 0.000 0.932 79 K CB -0.405 32.161 32.500 0.109 0.000 0.717 79 K HN 0.186 nan 8.250 nan 0.000 0.441 80 F N 0.951 120.934 119.950 0.055 0.000 2.087 80 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 80 F C 1.368 177.098 175.800 -0.117 0.000 1.100 80 F CA 1.628 59.602 58.000 -0.044 0.000 1.226 80 F CB -0.421 38.541 39.000 -0.063 0.000 0.983 80 F HN 0.046 nan 8.300 nan 0.000 0.479 81 F N 1.120 121.349 119.950 0.464 0.000 2.725 81 F HA 0.274 4.801 4.527 -0.000 0.000 0.303 81 F C 1.646 177.511 175.800 0.109 0.000 1.167 81 F CA 0.500 58.675 58.000 0.292 0.000 1.403 81 F CB -0.755 38.412 39.000 0.279 0.000 1.077 81 F HN 0.166 nan 8.300 nan 0.000 0.537 82 G N 1.600 110.504 108.800 0.173 0.000 2.338 82 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.296 82 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.296 82 G C -0.221 174.745 174.900 0.111 0.000 1.040 82 G CA -0.079 45.079 45.100 0.097 0.000 1.004 82 G HN 0.352 nan 8.290 nan 0.000 0.509 83 L N 0.303 121.603 121.223 0.128 0.000 2.333 83 L HA 0.501 4.841 4.340 -0.000 0.000 0.269 83 L C -1.745 175.161 176.870 0.059 0.000 1.010 83 L CA -2.652 52.242 54.840 0.089 0.000 0.818 83 L CB 2.248 44.364 42.059 0.096 0.000 1.306 83 L HN -0.070 nan 8.230 nan 0.000 0.430 84 P HA -0.049 nan 4.420 nan 0.000 0.257 84 P C -0.979 176.335 177.300 0.024 0.000 1.189 84 P CA 0.069 63.184 63.100 0.026 0.000 0.780 84 P CB 0.157 31.866 31.700 0.016 0.000 0.772 85 Q N 1.850 121.666 119.800 0.027 0.000 3.034 85 Q HA -0.015 4.324 4.340 -0.000 0.000 0.249 85 Q C 1.515 177.523 176.000 0.012 0.000 1.282 85 Q CA 0.176 55.992 55.803 0.022 0.000 0.918 85 Q CB -0.693 28.060 28.738 0.026 0.000 1.772 85 Q HN 0.557 nan 8.270 nan 0.000 0.498 86 T N -2.772 111.787 114.554 0.007 0.000 2.788 86 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 86 T C 1.562 176.264 174.700 0.003 0.000 1.044 86 T CA 0.955 63.058 62.100 0.004 0.000 1.139 86 T CB -0.165 68.703 68.868 0.000 0.000 0.867 86 T HN 0.685 nan 8.240 nan 0.000 0.454 87 G N 1.199 109.997 108.800 -0.004 0.000 2.132 87 G HA2 -0.127 3.832 3.960 -0.000 0.000 0.234 87 G HA3 -0.127 3.832 3.960 -0.000 0.000 0.234 87 G C -0.603 174.293 174.900 -0.006 0.000 0.989 87 G CA 0.082 45.179 45.100 -0.005 0.000 0.676 87 G HN 0.739 nan 8.290 nan 0.000 0.522 88 D N -0.990 119.404 120.400 -0.010 0.000 2.601 88 D HA 0.486 5.126 4.640 -0.000 0.000 0.230 88 D C 0.591 176.878 176.300 -0.021 0.000 1.106 88 D CA -0.784 53.210 54.000 -0.010 0.000 0.873 88 D CB 1.080 41.878 40.800 -0.003 0.000 1.515 88 D HN -0.018 nan 8.370 nan 0.000 0.468 89 L N 2.212 123.422 121.223 -0.021 0.000 2.650 89 L HA 0.102 4.442 4.340 -0.000 0.000 0.239 89 L C -0.282 176.571 176.870 -0.028 0.000 1.412 89 L CA -0.166 54.655 54.840 -0.031 0.000 1.219 89 L CB -1.613 40.431 42.059 -0.025 0.000 1.534 89 L HN 0.444 nan 8.230 nan 0.000 0.430 90 D N -1.501 118.882 120.400 -0.027 0.000 2.400 90 D HA -0.074 4.566 4.640 -0.000 0.000 0.238 90 D C 1.140 177.422 176.300 -0.029 0.000 1.157 90 D CA -0.488 53.499 54.000 -0.022 0.000 0.889 90 D CB 0.751 41.541 40.800 -0.016 0.000 1.199 90 D HN 0.066 nan 8.370 nan 0.000 0.436 91 Q N 1.351 121.138 119.800 -0.022 0.000 2.242 91 Q HA -0.271 4.069 4.340 -0.000 0.000 0.211 91 Q C 1.356 177.336 176.000 -0.033 0.000 0.992 91 Q CA 1.650 57.439 55.803 -0.023 0.000 0.889 91 Q CB -0.718 28.012 28.738 -0.015 0.000 0.913 91 Q HN 0.678 nan 8.270 nan 0.000 0.422 92 N N -0.532 118.149 118.700 -0.033 0.000 2.109 92 N HA -0.097 4.643 4.740 -0.000 0.000 0.188 92 N C 1.709 177.176 175.510 -0.071 0.000 1.034 92 N CA 1.434 54.460 53.050 -0.040 0.000 0.846 92 N CB 0.088 38.561 38.487 -0.023 0.000 1.010 92 N HN 0.164 nan 8.380 nan 0.000 0.425 93 T N 2.098 116.606 114.554 -0.076 0.000 2.635 93 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 93 T C 1.884 176.482 174.700 -0.171 0.000 1.040 93 T CA 0.953 62.978 62.100 -0.126 0.000 1.156 93 T CB -0.219 68.584 68.868 -0.109 0.000 0.863 93 T HN 0.154 nan 8.240 nan 0.000 0.430 94 I N 1.549 122.048 120.570 -0.118 0.000 2.118 94 I HA -0.172 3.998 4.170 -0.000 0.000 0.241 94 I C 2.585 178.641 176.117 -0.101 0.000 1.070 94 I CA 1.419 62.657 61.300 -0.103 0.000 1.327 94 I CB -1.472 36.495 38.000 -0.055 0.000 1.034 94 I HN 0.425 nan 8.210 nan 0.000 0.405 95 E N 0.688 120.840 120.200 -0.081 0.000 2.130 95 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 95 E C 2.058 178.599 176.600 -0.098 0.000 0.998 95 E CA 2.252 58.612 56.400 -0.067 0.000 0.806 95 E CB 0.093 29.763 29.700 -0.050 0.000 0.738 95 E HN 0.466 nan 8.360 nan 0.000 0.459 96 T N 0.754 115.210 114.554 -0.163 0.000 2.737 96 T HA -0.094 4.256 4.350 -0.000 0.000 0.265 96 T C 1.870 176.400 174.700 -0.283 0.000 1.038 96 T CA 1.361 63.306 62.100 -0.258 0.000 1.144 96 T CB -0.153 68.476 68.868 -0.398 0.000 0.866 96 T HN 0.208 nan 8.240 nan 0.000 0.434 97 M N 0.635 120.014 119.600 -0.368 0.000 2.267 97 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 97 M C 2.072 178.423 176.300 0.086 0.000 1.063 97 M CA 1.462 56.519 55.300 -0.405 0.000 1.090 97 M CB -0.226 32.080 32.600 -0.491 0.000 1.392 97 M HN 0.099 nan 8.290 nan 0.000 0.422 98 R N -0.444 120.069 120.500 0.021 0.000 2.313 98 R HA 0.057 4.397 4.340 -0.000 0.000 0.199 98 R C 0.118 176.456 176.300 0.064 0.000 0.958 98 R CA 0.216 56.355 56.100 0.065 0.000 1.047 98 R CB -0.019 30.297 30.300 0.026 0.000 0.955 98 R HN 0.040 nan 8.270 nan 0.000 0.481 99 K N 1.761 122.191 120.400 0.049 0.000 2.276 99 K HA 0.140 4.460 4.320 -0.000 0.000 0.283 99 K C -2.455 174.182 176.600 0.062 0.000 1.044 99 K CA -2.174 54.140 56.287 0.046 0.000 0.944 99 K CB 0.689 33.197 32.500 0.012 0.000 1.012 99 K HN -0.225 nan 8.250 nan 0.000 0.472 100 P HA -0.095 nan 4.420 nan 0.000 0.256 100 P C -0.764 176.540 177.300 0.005 0.000 1.173 100 P CA 0.409 63.529 63.100 0.033 0.000 0.768 100 P CB 0.435 32.247 31.700 0.186 0.000 0.758 101 R N 3.195 123.635 120.500 -0.099 0.000 3.361 101 R HA 0.782 5.122 4.340 -0.000 0.000 0.188 101 R C -0.709 175.451 176.300 -0.235 0.000 1.441 101 R CA -0.718 55.300 56.100 -0.137 0.000 0.810 101 R CB 0.009 30.195 30.300 -0.190 0.000 1.658 101 R HN 0.418 nan 8.270 nan 0.000 0.483 102 C N -0.355 118.791 119.300 -0.258 0.000 2.562 102 C HA 0.705 5.165 4.460 -0.000 0.000 0.332 102 C C 1.578 176.537 174.990 -0.051 0.000 1.201 102 C CA 0.021 58.907 59.018 -0.220 0.000 1.803 102 C CB 1.161 28.726 27.740 -0.290 0.000 2.328 102 C HN 0.906 nan 8.230 nan 0.000 0.500 103 G N 2.580 111.413 108.800 0.054 0.000 2.650 103 G HA2 0.043 4.003 3.960 -0.000 0.000 0.214 103 G HA3 0.043 4.003 3.960 -0.000 0.000 0.214 103 G C 0.366 175.366 174.900 0.165 0.000 1.136 103 G CA 0.118 45.364 45.100 0.244 0.000 0.789 103 G HN 0.795 nan 8.290 nan 0.000 0.536 104 N N 1.538 120.251 118.700 0.022 0.000 2.518 104 N HA 0.284 5.024 4.740 -0.000 0.000 0.266 104 N C -2.170 173.206 175.510 -0.222 0.000 1.196 104 N CA -0.972 51.951 53.050 -0.211 0.000 0.947 104 N CB 1.344 39.618 38.487 -0.355 0.000 1.098 104 N HN 0.085 nan 8.380 nan 0.000 0.450 105 P HA 0.129 nan 4.420 nan 0.000 0.275 105 P C -0.554 176.390 177.300 -0.593 0.000 1.266 105 P CA -0.039 62.876 63.100 -0.308 0.000 0.793 105 P CB 0.897 32.419 31.700 -0.297 0.000 1.074 106 D N -1.455 118.587 120.400 -0.595 0.000 2.449 106 D HA 0.075 4.715 4.640 -0.000 0.000 0.210 106 D C 0.495 176.558 176.300 -0.396 0.000 1.094 106 D CA 0.369 53.958 54.000 -0.684 0.000 0.846 106 D CB 0.231 40.364 40.800 -1.111 0.000 1.003 106 D HN 0.195 nan 8.370 nan 0.000 0.504 107 V N -1.195 118.534 119.914 -0.308 0.000 2.837 107 V HA 0.814 4.934 4.120 -0.000 0.000 0.310 107 V C 0.113 176.142 176.094 -0.108 0.000 1.059 107 V CA -1.350 60.878 62.300 -0.120 0.000 1.004 107 V CB 1.509 33.309 31.823 -0.039 0.000 1.045 107 V HN -0.002 nan 8.190 nan 0.000 0.465 108 A N 2.023 124.812 122.820 -0.052 0.000 2.347 108 A HA 0.446 4.766 4.320 -0.000 0.000 0.287 108 A C 0.341 177.910 177.584 -0.025 0.000 1.199 108 A CA -0.351 51.654 52.037 -0.054 0.000 0.851 108 A CB -0.890 18.081 19.000 -0.047 0.000 1.118 108 A HN 0.906 nan 8.150 nan 0.000 0.525 109 N N 1.936 120.615 118.700 -0.035 0.000 3.167 109 N HA 0.190 4.930 4.740 -0.000 0.000 0.318 109 N C -0.833 174.752 175.510 0.126 0.000 1.268 109 N CA 0.651 53.706 53.050 0.010 0.000 1.197 109 N CB -0.985 37.474 38.487 -0.045 0.000 1.464 109 N HN 0.617 nan 8.380 nan 0.000 0.555 110 Y N -0.186 120.093 120.300 -0.035 0.000 2.788 110 Y HA -0.313 4.237 4.550 -0.000 0.000 0.050 110 Y C -0.661 175.239 175.900 -0.001 0.000 1.997 110 Y CA -0.653 57.444 58.100 -0.005 0.000 1.194 110 Y CB -1.543 36.924 38.460 0.011 0.000 1.860 110 Y HN 0.453 nan 8.280 nan 0.000 0.294 111 N N 7.010 125.559 118.700 -0.251 0.000 2.429 111 N HA -0.018 4.722 4.740 -0.000 0.000 0.298 111 N C 0.507 175.826 175.510 -0.319 0.000 1.256 111 N CA 0.273 53.166 53.050 -0.261 0.000 1.090 111 N CB 0.063 38.405 38.487 -0.242 0.000 1.477 111 N HN 0.386 nan 8.380 nan 0.000 0.491 112 F N 2.827 122.611 119.950 -0.277 0.000 2.023 112 F HA 0.167 4.694 4.527 -0.000 0.000 0.234 112 F C 0.779 176.464 175.800 -0.191 0.000 0.954 112 F CA -1.058 56.870 58.000 -0.121 0.000 1.180 112 F CB -0.060 38.979 39.000 0.064 0.000 1.932 112 F HN 0.276 nan 8.300 nan 0.000 0.556 113 F N -0.749 118.715 119.950 -0.810 0.000 2.321 113 F HA -0.017 4.510 4.527 -0.000 0.000 0.355 113 F C -2.255 173.420 175.800 -0.209 0.000 0.888 113 F CA -1.722 55.998 58.000 -0.466 0.000 1.127 113 F CB -1.938 36.912 39.000 -0.251 0.000 0.867 113 F HN 0.135 nan 8.300 nan 0.000 0.589 114 P HA 0.015 nan 4.420 nan 0.000 0.271 114 P C -0.253 177.020 177.300 -0.045 0.000 1.601 114 P CA 0.663 63.720 63.100 -0.072 0.000 0.856 114 P CB -0.051 31.622 31.700 -0.045 0.000 1.820 115 R N 0.309 120.756 120.500 -0.088 0.000 3.151 115 R HA 0.654 4.993 4.340 -0.000 0.000 0.231 115 R C -0.296 175.927 176.300 -0.128 0.000 1.511 115 R CA -0.968 55.096 56.100 -0.060 0.000 1.047 115 R CB 0.830 31.165 30.300 0.059 0.000 1.565 115 R HN -0.127 nan 8.270 nan 0.000 0.513 116 K N 0.801 121.143 120.400 -0.096 0.000 2.656 116 K HA 0.333 4.653 4.320 -0.000 0.000 0.253 116 K C -2.729 173.816 176.600 -0.092 0.000 1.002 116 K CA -1.215 55.007 56.287 -0.108 0.000 0.880 116 K CB 1.631 34.074 32.500 -0.095 0.000 1.232 116 K HN 0.262 nan 8.250 nan 0.000 0.456 117 P HA 0.050 nan 4.420 nan 0.000 0.269 117 P C -0.977 176.237 177.300 -0.143 0.000 1.217 117 P CA -0.380 62.669 63.100 -0.084 0.000 0.783 117 P CB 0.532 32.166 31.700 -0.110 0.000 0.898 118 K N 0.212 120.523 120.400 -0.149 0.000 2.607 118 K HA 0.280 4.600 4.320 -0.000 0.000 0.287 118 K C -1.608 174.951 176.600 -0.068 0.000 0.996 118 K CA -0.927 55.274 56.287 -0.144 0.000 0.876 118 K CB 0.623 33.039 32.500 -0.139 0.000 1.496 118 K HN 0.296 nan 8.250 nan 0.000 0.415 119 W N 2.065 123.537 121.300 0.285 0.000 2.261 119 W HA 0.242 4.901 4.660 -0.000 0.000 0.323 119 W C 0.678 177.319 176.519 0.204 0.000 1.243 119 W CA -0.381 57.095 57.345 0.219 0.000 1.210 119 W CB 0.796 30.366 29.460 0.183 0.000 1.149 119 W HN 0.531 nan 8.180 nan 0.000 0.562 120 D N 1.967 122.601 120.400 0.390 0.000 2.339 120 D HA 0.001 4.641 4.640 -0.000 0.000 0.217 120 D C 0.333 176.751 176.300 0.197 0.000 1.050 120 D CA 0.573 54.718 54.000 0.242 0.000 0.856 120 D CB 0.456 41.357 40.800 0.169 0.000 0.922 120 D HN 0.378 nan 8.370 nan 0.000 0.518 121 K N 0.262 120.789 120.400 0.212 0.000 2.209 121 K HA 0.261 4.581 4.320 -0.000 0.000 0.238 121 K C 0.726 177.356 176.600 0.050 0.000 1.028 121 K CA -0.535 55.802 56.287 0.084 0.000 0.935 121 K CB 0.980 33.476 32.500 -0.007 0.000 1.162 121 K HN -0.253 nan 8.250 nan 0.000 0.485 122 N N -0.222 118.451 118.700 -0.045 0.000 2.382 122 N HA -0.059 4.681 4.740 -0.000 0.000 0.200 122 N C -0.972 174.395 175.510 -0.238 0.000 1.122 122 N CA 0.077 53.060 53.050 -0.112 0.000 0.870 122 N CB 0.714 39.161 38.487 -0.067 0.000 1.176 122 N HN 0.439 nan 8.380 nan 0.000 0.474 123 Q N 1.569 121.244 119.800 -0.208 0.000 2.347 123 Q HA 0.301 4.641 4.340 -0.000 0.000 0.262 123 Q C -0.712 175.115 176.000 -0.288 0.000 0.980 123 Q CA -0.363 55.289 55.803 -0.252 0.000 0.867 123 Q CB 1.803 30.444 28.738 -0.162 0.000 1.242 123 Q HN 0.103 nan 8.270 nan 0.000 0.453 124 I N 1.945 122.295 120.570 -0.367 0.000 2.750 124 I HA 0.494 4.664 4.170 -0.000 0.000 0.308 124 I C 0.309 176.317 176.117 -0.181 0.000 1.016 124 I CA -0.707 60.388 61.300 -0.342 0.000 1.098 124 I CB 1.763 39.543 38.000 -0.368 0.000 1.279 124 I HN 0.666 nan 8.210 nan 0.000 0.454 125 T N 1.518 115.957 114.554 -0.192 0.000 2.841 125 T HA 0.691 5.041 4.350 -0.000 0.000 0.283 125 T C -0.831 173.815 174.700 -0.089 0.000 1.000 125 T CA -0.665 61.349 62.100 -0.142 0.000 0.977 125 T CB 1.531 70.310 68.868 -0.148 0.000 0.979 125 T HN 0.524 nan 8.240 nan 0.000 0.446 126 Y N 0.359 120.515 120.300 -0.239 0.000 2.499 126 Y HA 0.849 5.399 4.550 -0.000 0.000 0.347 126 Y C -0.613 175.191 175.900 -0.160 0.000 0.987 126 Y CA -1.532 56.441 58.100 -0.211 0.000 1.044 126 Y CB 1.783 40.025 38.460 -0.363 0.000 1.245 126 Y HN 0.685 nan 8.280 nan 0.000 0.461 127 R N 4.719 125.201 120.500 -0.030 0.000 2.502 127 R HA 0.422 4.762 4.340 -0.000 0.000 0.298 127 R C -1.735 174.539 176.300 -0.044 0.000 1.018 127 R CA -0.830 55.197 56.100 -0.123 0.000 0.899 127 R CB 1.209 31.456 30.300 -0.087 0.000 1.181 127 R HN 1.033 nan 8.270 nan 0.000 0.444 128 I N 6.426 126.936 120.570 -0.100 0.000 2.471 128 I HA 0.032 4.202 4.170 -0.000 0.000 0.294 128 I C 1.560 177.582 176.117 -0.159 0.000 1.123 128 I CA 0.296 61.493 61.300 -0.171 0.000 1.336 128 I CB 0.582 38.445 38.000 -0.228 0.000 1.430 128 I HN 0.593 nan 8.210 nan 0.000 0.533 129 I N 4.698 125.221 120.570 -0.078 0.000 3.427 129 I HA 0.182 4.351 4.170 -0.000 0.000 0.288 129 I C 1.208 177.323 176.117 -0.003 0.000 1.249 129 I CA 0.272 61.572 61.300 0.001 0.000 1.421 129 I CB 0.270 38.307 38.000 0.062 0.000 1.086 129 I HN 0.677 nan 8.210 nan 0.000 0.448 130 G N -1.497 107.256 108.800 -0.078 0.000 2.721 130 G HA2 0.542 4.502 3.960 -0.000 0.000 0.296 130 G HA3 0.542 4.502 3.960 -0.000 0.000 0.296 130 G C -1.943 172.747 174.900 -0.351 0.000 1.383 130 G CA -0.271 44.789 45.100 -0.067 0.000 0.788 130 G HN -0.155 nan 8.290 nan 0.000 0.500 131 Y N -1.711 118.386 120.300 -0.338 0.000 2.715 131 Y HA 0.728 5.277 4.550 -0.000 0.000 0.331 131 Y C 0.198 175.402 175.900 -1.159 0.000 1.197 131 Y CA -0.581 57.065 58.100 -0.758 0.000 1.079 131 Y CB 2.408 40.603 38.460 -0.442 0.000 1.298 131 Y HN 0.646 nan 8.280 nan 0.000 0.477 132 T N 1.413 115.394 114.554 -0.956 0.000 2.829 132 T HA 0.398 4.748 4.350 -0.000 0.000 0.280 132 T C -2.427 172.162 174.700 -0.185 0.000 0.999 132 T CA -2.446 59.326 62.100 -0.547 0.000 0.983 132 T CB 1.351 69.946 68.868 -0.455 0.000 0.968 132 T HN 0.286 nan 8.240 nan 0.000 0.446 133 P HA 0.078 nan 4.420 nan 0.000 0.234 133 P C 0.639 177.936 177.300 -0.004 0.000 1.167 133 P CA 0.479 63.558 63.100 -0.036 0.000 0.763 133 P CB 0.220 31.912 31.700 -0.013 0.000 0.835 134 D N -0.873 119.549 120.400 0.036 0.000 2.234 134 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 134 D C 0.841 177.191 176.300 0.083 0.000 0.962 134 D CA 0.879 54.928 54.000 0.082 0.000 0.855 134 D CB 0.198 41.101 40.800 0.172 0.000 0.951 134 D HN 0.228 nan 8.370 nan 0.000 0.500 135 L N 0.712 121.969 121.223 0.057 0.000 2.341 135 L HA 0.285 4.625 4.340 -0.000 0.000 0.267 135 L C -0.402 176.477 176.870 0.015 0.000 1.009 135 L CA -1.297 53.583 54.840 0.067 0.000 0.819 135 L CB 2.126 44.226 42.059 0.068 0.000 1.323 135 L HN -0.164 nan 8.230 nan 0.000 0.425 136 D N 0.197 120.623 120.400 0.042 0.000 2.313 136 D HA 0.240 4.880 4.640 -0.000 0.000 0.247 136 D C -2.167 174.088 176.300 -0.076 0.000 1.094 136 D CA -1.452 52.534 54.000 -0.024 0.000 0.925 136 D CB 0.899 41.706 40.800 0.012 0.000 1.188 136 D HN 0.130 nan 8.370 nan 0.000 0.430 137 P HA -0.262 nan 4.420 nan 0.000 0.217 137 P C 0.964 178.284 177.300 0.034 0.000 1.162 137 P CA 1.583 64.455 63.100 -0.381 0.000 0.901 137 P CB 0.037 31.535 31.700 -0.336 0.000 0.793 138 E N -0.948 119.289 120.200 0.061 0.000 2.049 138 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 138 E C 1.968 178.656 176.600 0.147 0.000 1.007 138 E CA 1.900 58.372 56.400 0.120 0.000 0.809 138 E CB -1.170 28.573 29.700 0.072 0.000 0.749 138 E HN 0.301 nan 8.360 nan 0.000 0.450 139 T N 1.575 116.209 114.554 0.132 0.000 2.665 139 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 139 T C 2.234 176.999 174.700 0.109 0.000 1.035 139 T CA 1.571 63.764 62.100 0.155 0.000 1.151 139 T CB -0.451 68.541 68.868 0.206 0.000 0.862 139 T HN -0.017 nan 8.240 nan 0.000 0.438 140 V N 2.272 122.256 119.914 0.117 0.000 2.332 140 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 140 V C 2.383 178.560 176.094 0.137 0.000 1.055 140 V CA 1.806 64.142 62.300 0.061 0.000 1.038 140 V CB -0.648 31.355 31.823 0.299 0.000 0.651 140 V HN 0.449 nan 8.190 nan 0.000 0.450 141 D N -0.053 120.549 120.400 0.337 0.000 2.097 141 D HA -0.176 4.463 4.640 -0.000 0.000 0.197 141 D C 1.965 178.461 176.300 0.327 0.000 0.984 141 D CA 1.785 56.031 54.000 0.410 0.000 0.826 141 D CB -0.342 40.682 40.800 0.374 0.000 0.973 141 D HN 0.546 nan 8.370 nan 0.000 0.460 142 D N 0.693 121.226 120.400 0.222 0.000 2.097 142 D HA -0.100 4.540 4.640 -0.000 0.000 0.195 142 D C 1.979 178.374 176.300 0.158 0.000 0.989 142 D CA 1.739 55.848 54.000 0.182 0.000 0.827 142 D CB -0.106 40.775 40.800 0.135 0.000 0.966 142 D HN 0.066 nan 8.370 nan 0.000 0.456 143 A N -0.242 122.630 122.820 0.087 0.000 1.873 143 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 143 A C 2.149 179.833 177.584 0.166 0.000 1.193 143 A CA 1.609 53.680 52.037 0.057 0.000 0.629 143 A CB -1.345 17.587 19.000 -0.113 0.000 0.826 143 A HN 0.347 nan 8.150 nan 0.000 0.447 144 F N 0.092 120.164 119.950 0.204 0.000 2.216 144 F HA -0.066 4.461 4.527 -0.000 0.000 0.300 144 F C 2.717 178.615 175.800 0.163 0.000 1.085 144 F CA 0.406 58.524 58.000 0.196 0.000 1.326 144 F CB -0.893 38.212 39.000 0.174 0.000 1.027 144 F HN 0.286 nan 8.300 nan 0.000 0.497 145 A N 0.640 123.692 122.820 0.387 0.000 1.832 145 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 145 A C 2.388 180.149 177.584 0.295 0.000 1.200 145 A CA 1.487 53.725 52.037 0.334 0.000 0.610 145 A CB -0.723 18.452 19.000 0.291 0.000 0.842 145 A HN 0.287 nan 8.150 nan 0.000 0.444 146 R N -0.199 120.441 120.500 0.234 0.000 2.127 146 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 146 R C 2.373 178.914 176.300 0.401 0.000 1.134 146 R CA 1.178 57.390 56.100 0.186 0.000 0.975 146 R CB -0.620 29.639 30.300 -0.068 0.000 0.865 146 R HN 0.520 nan 8.270 nan 0.000 0.447 147 A N 1.154 124.282 122.820 0.515 0.000 1.883 147 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 147 A C 1.891 179.625 177.584 0.250 0.000 1.186 147 A CA 1.327 53.662 52.037 0.496 0.000 0.624 147 A CB -0.611 18.696 19.000 0.512 0.000 0.822 147 A HN 0.211 nan 8.150 nan 0.000 0.444 148 F N -0.036 119.968 119.950 0.091 0.000 2.234 148 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 148 F C 2.633 178.571 175.800 0.229 0.000 1.087 148 F CA 1.484 59.407 58.000 -0.128 0.000 1.340 148 F CB -0.508 38.123 39.000 -0.615 0.000 1.031 148 F HN 0.304 nan 8.300 nan 0.000 0.500 149 Q N -0.097 119.937 119.800 0.389 0.000 2.045 149 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 149 Q C 2.220 178.379 176.000 0.265 0.000 0.991 149 Q CA 2.066 58.063 55.803 0.323 0.000 0.851 149 Q CB -0.546 28.333 28.738 0.234 0.000 0.911 149 Q HN 0.213 nan 8.270 nan 0.000 0.418 150 V N -0.512 119.505 119.914 0.171 0.000 3.099 150 V HA -0.247 3.873 4.120 -0.000 0.000 0.269 150 V C 1.083 177.067 176.094 -0.183 0.000 1.150 150 V CA 1.455 63.747 62.300 -0.012 0.000 1.165 150 V CB -0.749 31.050 31.823 -0.040 0.000 0.756 150 V HN 0.443 nan 8.190 nan 0.000 0.527 151 W N -0.140 121.354 121.300 0.323 0.000 2.630 151 W HA -0.016 4.644 4.660 -0.000 0.000 0.275 151 W C 2.672 179.360 176.519 0.283 0.000 1.192 151 W CA 0.701 58.243 57.345 0.328 0.000 1.410 151 W CB -0.068 29.649 29.460 0.430 0.000 1.075 151 W HN 0.265 nan 8.180 nan 0.000 0.581 152 S N -1.168 114.834 115.700 0.502 0.000 2.503 152 S HA -0.056 4.414 4.470 -0.000 0.000 0.215 152 S C 1.085 175.801 174.600 0.194 0.000 1.003 152 S CA 0.607 58.972 58.200 0.275 0.000 0.910 152 S CB -0.320 62.974 63.200 0.155 0.000 0.790 152 S HN -0.035 nan 8.310 nan 0.000 0.514 153 D N 2.201 122.717 120.400 0.194 0.000 2.292 153 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 153 D C 1.868 178.232 176.300 0.107 0.000 0.994 153 D CA 1.612 55.690 54.000 0.128 0.000 0.897 153 D CB -0.168 40.696 40.800 0.106 0.000 0.907 153 D HN 0.602 nan 8.370 nan 0.000 0.467 154 V N -3.468 116.527 119.914 0.135 0.000 3.635 154 V HA 0.237 4.357 4.120 -0.000 0.000 0.266 154 V C 0.815 176.994 176.094 0.141 0.000 1.316 154 V CA 0.566 62.940 62.300 0.123 0.000 1.060 154 V CB 0.191 32.094 31.823 0.135 0.000 0.820 154 V HN 0.096 nan 8.190 nan 0.000 0.447 155 T N -3.004 111.649 114.554 0.165 0.000 2.940 155 T HA 0.627 4.977 4.350 -0.000 0.000 0.288 155 T C -1.933 172.808 174.700 0.068 0.000 1.033 155 T CA -1.672 60.517 62.100 0.148 0.000 1.033 155 T CB 1.902 70.882 68.868 0.186 0.000 1.079 155 T HN 0.017 nan 8.240 nan 0.000 0.496 156 P HA 0.036 nan 4.420 nan 0.000 0.214 156 P C 0.555 177.804 177.300 -0.086 0.000 1.162 156 P CA 0.425 63.525 63.100 -0.000 0.000 0.879 156 P CB -0.505 31.210 31.700 0.025 0.000 0.786 157 L N -0.657 120.456 121.223 -0.184 0.000 2.593 157 L HA 0.086 4.426 4.340 -0.000 0.000 0.287 157 L C 0.174 176.783 176.870 -0.434 0.000 1.243 157 L CA 0.303 54.925 54.840 -0.363 0.000 0.890 157 L CB -0.704 41.004 42.059 -0.585 0.000 1.134 157 L HN -0.053 nan 8.230 nan 0.000 0.502 158 R N 2.294 122.512 120.500 -0.469 0.000 2.778 158 R HA 0.826 5.166 4.340 -0.000 0.000 0.277 158 R C -1.259 174.674 176.300 -0.612 0.000 0.977 158 R CA -0.605 55.239 56.100 -0.428 0.000 0.950 158 R CB 0.879 31.071 30.300 -0.180 0.000 1.165 158 R HN 0.464 nan 8.270 nan 0.000 0.474 159 F N -0.058 119.827 119.950 -0.109 0.000 2.480 159 F HA 0.598 5.125 4.527 -0.000 0.000 0.329 159 F C -0.050 175.677 175.800 -0.122 0.000 1.091 159 F CA -0.612 57.260 58.000 -0.212 0.000 0.972 159 F CB 2.429 41.143 39.000 -0.476 0.000 1.150 159 F HN 0.437 nan 8.300 nan 0.000 0.467 160 S N 1.903 117.620 115.700 0.028 0.000 2.672 160 S HA 0.389 4.859 4.470 -0.000 0.000 0.291 160 S C -0.641 173.765 174.600 -0.324 0.000 1.145 160 S CA -0.883 57.267 58.200 -0.084 0.000 1.013 160 S CB 1.603 64.751 63.200 -0.087 0.000 1.017 160 S HN 0.618 nan 8.310 nan 0.000 0.487 161 R N 3.806 123.992 120.500 -0.524 0.000 2.316 161 R HA 0.405 4.745 4.340 -0.000 0.000 0.314 161 R C -0.236 175.833 176.300 -0.385 0.000 1.069 161 R CA -0.230 55.333 56.100 -0.896 0.000 0.959 161 R CB -0.070 29.707 30.300 -0.871 0.000 0.987 161 R HN 0.768 nan 8.270 nan 0.000 0.446 162 I N 1.344 121.693 120.570 -0.369 0.000 2.493 162 I HA 0.351 4.520 4.170 -0.000 0.000 0.298 162 I C -0.617 175.416 176.117 -0.141 0.000 0.998 162 I CA -0.937 60.301 61.300 -0.102 0.000 1.137 162 I CB 2.047 39.993 38.000 -0.091 0.000 1.310 162 I HN 0.695 nan 8.210 nan 0.000 0.445 163 H N 2.044 121.075 119.070 -0.064 0.000 2.652 163 H HA 0.420 4.976 4.556 -0.000 0.000 0.274 163 H C -0.791 174.540 175.328 0.005 0.000 1.021 163 H CA -0.171 55.869 56.048 -0.014 0.000 1.187 163 H CB 0.204 29.973 29.762 0.012 0.000 1.505 163 H HN 0.586 nan 8.280 nan 0.000 0.530 164 D N -0.686 119.773 120.400 0.100 0.000 2.581 164 D HA 0.440 5.080 4.640 -0.000 0.000 0.232 164 D C 0.779 177.098 176.300 0.031 0.000 1.143 164 D CA 0.296 54.334 54.000 0.063 0.000 0.881 164 D CB 2.888 43.721 40.800 0.055 0.000 1.500 164 D HN 0.352 nan 8.370 nan 0.000 0.458 165 G N 0.881 109.699 108.800 0.029 0.000 2.645 165 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.239 165 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.239 165 G C -0.360 174.548 174.900 0.014 0.000 1.331 165 G CA -0.478 44.633 45.100 0.019 0.000 0.890 165 G HN 0.510 nan 8.290 nan 0.000 0.572 166 E N 0.377 120.583 120.200 0.009 0.000 2.216 166 E HA 0.600 4.949 4.350 -0.000 0.000 0.279 166 E C 0.610 177.206 176.600 -0.007 0.000 0.997 166 E CA 0.200 56.606 56.400 0.010 0.000 0.817 166 E CB 1.554 31.265 29.700 0.018 0.000 1.096 166 E HN 0.977 nan 8.360 nan 0.000 0.393 167 A N 2.992 125.809 122.820 -0.006 0.000 2.269 167 A HA 0.267 4.587 4.320 -0.000 0.000 0.327 167 A C 0.658 178.229 177.584 -0.021 0.000 1.112 167 A CA -0.455 51.563 52.037 -0.031 0.000 0.865 167 A CB 0.633 19.613 19.000 -0.034 0.000 1.227 167 A HN 0.633 nan 8.150 nan 0.000 0.498 168 D N -0.259 120.087 120.400 -0.090 0.000 2.123 168 D HA -0.008 4.631 4.640 -0.000 0.000 0.200 168 D C 0.107 176.421 176.300 0.024 0.000 0.976 168 D CA 1.621 55.523 54.000 -0.163 0.000 0.831 168 D CB 0.096 40.559 40.800 -0.563 0.000 0.974 168 D HN 0.450 nan 8.370 nan 0.000 0.469 169 I N 2.144 122.749 120.570 0.059 0.000 2.405 169 I HA 0.106 4.276 4.170 -0.000 0.000 0.280 169 I C -0.280 175.952 176.117 0.192 0.000 1.027 169 I CA -0.408 61.018 61.300 0.210 0.000 1.161 169 I CB 1.246 39.421 38.000 0.292 0.000 1.300 169 I HN -0.291 nan 8.210 nan 0.000 0.463 170 M N 6.991 126.693 119.600 0.170 0.000 2.120 170 M HA 0.431 4.911 4.480 -0.000 0.000 0.354 170 M C -0.266 176.155 176.300 0.202 0.000 1.287 170 M CA -0.120 55.272 55.300 0.153 0.000 1.103 170 M CB 0.835 33.519 32.600 0.139 0.000 1.623 170 M HN 0.376 nan 8.290 nan 0.000 0.471 171 I N 3.484 124.141 120.570 0.145 0.000 2.359 171 I HA 0.382 4.552 4.170 -0.000 0.000 0.294 171 I C 0.101 176.296 176.117 0.130 0.000 0.987 171 I CA -0.239 61.120 61.300 0.098 0.000 1.225 171 I CB 1.224 39.080 38.000 -0.241 0.000 1.366 171 I HN 0.743 nan 8.210 nan 0.000 0.466 172 N N 4.088 122.965 118.700 0.296 0.000 2.823 172 N HA 0.521 5.261 4.740 -0.000 0.000 0.251 172 N C -1.805 173.927 175.510 0.370 0.000 1.392 172 N CA -0.589 52.659 53.050 0.330 0.000 0.864 172 N CB 1.908 40.550 38.487 0.258 0.000 1.481 172 N HN 0.176 nan 8.380 nan 0.000 0.508 173 F N 0.272 120.283 119.950 0.101 0.000 2.508 173 F HA 0.744 5.271 4.527 -0.000 0.000 0.325 173 F C 0.875 176.720 175.800 0.076 0.000 1.090 173 F CA -0.311 57.744 58.000 0.091 0.000 0.945 173 F CB 2.077 41.064 39.000 -0.021 0.000 1.156 173 F HN 0.470 nan 8.300 nan 0.000 0.463 174 G N 1.890 110.816 108.800 0.210 0.000 2.698 174 G HA2 0.635 4.594 3.960 -0.000 0.000 0.293 174 G HA3 0.635 4.594 3.960 -0.000 0.000 0.293 174 G C -1.997 172.916 174.900 0.020 0.000 1.437 174 G CA -1.208 43.924 45.100 0.052 0.000 0.852 174 G HN 0.677 nan 8.290 nan 0.000 0.499 175 R N -0.336 120.170 120.500 0.008 0.000 2.599 175 R HA 0.643 4.982 4.340 -0.000 0.000 0.295 175 R C 0.214 176.564 176.300 0.083 0.000 0.963 175 R CA -0.746 55.337 56.100 -0.028 0.000 0.883 175 R CB 1.378 31.700 30.300 0.037 0.000 1.171 175 R HN 0.759 nan 8.270 nan 0.000 0.450 176 W N 0.300 121.689 121.300 0.149 0.000 2.411 176 W HA -0.375 4.284 4.660 -0.000 0.000 0.302 176 W C 0.531 177.136 176.519 0.144 0.000 1.498 176 W CA 1.362 58.789 57.345 0.136 0.000 1.464 176 W CB -0.988 28.526 29.460 0.091 0.000 0.900 176 W HN 0.504 nan 8.180 nan 0.000 0.501 177 E N 1.989 122.427 120.200 0.397 0.000 2.257 177 E HA 0.044 4.394 4.350 -0.000 0.000 0.278 177 E C 0.694 177.477 176.600 0.305 0.000 1.049 177 E CA 0.261 56.831 56.400 0.284 0.000 0.876 177 E CB 0.201 29.997 29.700 0.159 0.000 1.035 177 E HN 0.369 nan 8.360 nan 0.000 0.419 178 H N 2.509 121.577 119.070 -0.004 0.000 2.622 178 H HA 0.302 4.858 4.556 -0.000 0.000 0.269 178 H C 0.892 176.205 175.328 -0.025 0.000 0.977 178 H CA -0.239 55.798 56.048 -0.019 0.000 1.179 178 H CB 0.147 29.854 29.762 -0.092 0.000 1.458 178 H HN 0.528 nan 8.280 nan 0.000 0.531 179 G N 2.243 111.052 108.800 0.015 0.000 2.851 179 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.272 179 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.272 179 G C -0.159 174.672 174.900 -0.115 0.000 1.100 179 G CA 0.299 45.376 45.100 -0.039 0.000 1.197 179 G HN 0.613 nan 8.290 nan 0.000 0.561 180 D N -1.622 118.670 120.400 -0.181 0.000 2.184 180 D HA 0.262 4.902 4.640 -0.000 0.000 0.508 180 D C 1.646 177.768 176.300 -0.296 0.000 0.947 180 D CA 1.451 55.335 54.000 -0.194 0.000 1.032 180 D CB -0.550 40.118 40.800 -0.221 0.000 1.460 180 D HN 1.849 nan 8.370 nan 0.000 0.467 181 G N 0.034 108.629 108.800 -0.341 0.000 2.194 181 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.236 181 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.236 181 G C -0.549 173.978 174.900 -0.621 0.000 0.987 181 G CA 0.260 45.056 45.100 -0.506 0.000 0.635 181 G HN 0.306 nan 8.290 nan 0.000 0.520 182 Y N 1.182 121.406 120.300 -0.126 0.000 2.426 182 Y HA 0.536 5.086 4.550 -0.000 0.000 0.325 182 Y C -2.290 173.606 175.900 -0.006 0.000 0.989 182 Y CA -2.767 55.279 58.100 -0.090 0.000 1.284 182 Y CB 1.735 40.082 38.460 -0.188 0.000 1.104 182 Y HN -0.016 nan 8.280 nan 0.000 0.481 183 P HA 0.130 nan 4.420 nan 0.000 0.272 183 P C -0.571 176.830 177.300 0.168 0.000 1.240 183 P CA 0.005 63.237 63.100 0.220 0.000 0.791 183 P CB 0.859 32.716 31.700 0.261 0.000 0.978 184 F N 0.606 120.629 119.950 0.120 0.000 2.518 184 F HA 0.270 4.797 4.527 -0.000 0.000 0.338 184 F C 1.330 176.830 175.800 -0.499 0.000 1.065 184 F CA -0.565 57.289 58.000 -0.243 0.000 1.012 184 F CB 0.416 39.122 39.000 -0.489 0.000 1.297 184 F HN 0.310 nan 8.300 nan 0.000 0.489 185 D N -1.382 118.610 120.400 -0.679 0.000 2.469 185 D HA 0.372 5.012 4.640 -0.000 0.000 0.213 185 D C 0.834 175.798 176.300 -2.227 0.000 1.135 185 D CA 0.463 53.834 54.000 -1.049 0.000 0.834 185 D CB 0.223 41.028 40.800 0.007 0.000 1.009 185 D HN 0.772 nan 8.370 nan 0.000 0.507 186 G N 0.851 108.486 108.800 -1.940 0.000 2.660 186 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 186 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 186 G C -0.563 174.178 174.900 -0.264 0.000 1.345 186 G CA -0.542 44.171 45.100 -0.645 0.000 0.877 186 G HN 0.424 nan 8.290 nan 0.000 0.549 187 K N 1.423 121.797 120.400 -0.044 0.000 2.466 187 K HA 0.363 4.683 4.320 -0.000 0.000 0.278 187 K C 0.838 177.392 176.600 -0.077 0.000 1.048 187 K CA 1.418 57.662 56.287 -0.071 0.000 1.088 187 K CB -0.183 32.315 32.500 -0.003 0.000 0.884 187 K HN 0.790 nan 8.250 nan 0.000 0.478 188 D N 1.699 122.011 120.400 -0.147 0.000 4.160 188 D HA -0.207 4.433 4.640 -0.000 0.000 0.291 188 D C 0.648 176.847 176.300 -0.169 0.000 2.226 188 D CA 1.505 55.423 54.000 -0.137 0.000 1.157 188 D CB -1.041 39.746 40.800 -0.021 0.000 1.020 188 D HN 0.884 nan 8.370 nan 0.000 1.219 189 G N -0.855 107.881 108.800 -0.108 0.000 2.528 189 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.262 189 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.262 189 G C 0.057 174.858 174.900 -0.165 0.000 1.200 189 G CA 0.100 45.159 45.100 -0.068 0.000 0.951 189 G HN 0.811 nan 8.290 nan 0.000 0.566 190 L N 1.326 122.484 121.223 -0.108 0.000 2.601 190 L HA 0.123 4.463 4.340 -0.000 0.000 0.277 190 L C 1.798 178.425 176.870 -0.404 0.000 1.219 190 L CA 0.071 54.827 54.840 -0.142 0.000 0.915 190 L CB 0.122 42.201 42.059 0.033 0.000 1.160 190 L HN 0.495 nan 8.230 nan 0.000 0.494 191 L N 3.171 124.105 121.223 -0.481 0.000 2.408 191 L HA 0.305 4.645 4.340 -0.000 0.000 0.215 191 L C 0.882 177.371 176.870 -0.635 0.000 1.081 191 L CA 0.457 54.904 54.840 -0.655 0.000 0.840 191 L CB 0.142 41.764 42.059 -0.729 0.000 1.002 191 L HN 0.871 nan 8.230 nan 0.000 0.468 192 A N -1.290 121.197 122.820 -0.554 0.000 2.809 192 A HA 0.629 4.948 4.320 -0.000 0.000 0.310 192 A C -1.457 176.041 177.584 -0.144 0.000 1.138 192 A CA -0.517 51.210 52.037 -0.516 0.000 0.610 192 A CB 0.965 19.588 19.000 -0.628 0.000 1.432 192 A HN 0.292 nan 8.150 nan 0.000 0.597 193 H N -2.400 116.619 119.070 -0.085 0.000 2.887 193 H HA 0.787 5.343 4.556 -0.000 0.000 0.290 193 H C -0.632 174.523 175.328 -0.288 0.000 1.429 193 H CA -0.600 55.325 56.048 -0.204 0.000 1.137 193 H CB 1.017 30.678 29.762 -0.168 0.000 1.824 193 H HN 1.932 nan 8.280 nan 0.000 0.520 194 A N 0.612 123.311 122.820 -0.201 0.000 2.606 194 A HA 0.603 4.923 4.320 -0.000 0.000 0.293 194 A C -2.047 175.381 177.584 -0.260 0.000 1.082 194 A CA -0.740 51.230 52.037 -0.112 0.000 0.685 194 A CB 1.596 20.593 19.000 -0.006 0.000 1.284 194 A HN 0.337 nan 8.150 nan 0.000 0.408 195 F N 0.779 120.637 119.950 -0.153 0.000 2.432 195 F HA 0.668 5.195 4.527 -0.000 0.000 0.329 195 F C 1.096 176.847 175.800 -0.082 0.000 1.076 195 F CA 0.030 57.943 58.000 -0.145 0.000 1.018 195 F CB 1.615 40.542 39.000 -0.122 0.000 1.201 195 F HN 0.784 nan 8.300 nan 0.000 0.489 196 A N 2.640 125.480 122.820 0.034 0.000 2.425 196 A HA 0.448 4.767 4.320 -0.000 0.000 0.242 196 A C -2.447 175.024 177.584 -0.188 0.000 1.077 196 A CA -1.338 50.658 52.037 -0.068 0.000 0.781 196 A CB -0.647 18.297 19.000 -0.093 0.000 1.020 196 A HN 0.463 nan 8.150 nan 0.000 0.494 197 P HA 0.374 nan 4.420 nan 0.000 0.264 197 P C 0.450 177.317 177.300 -0.721 0.000 1.183 197 P CA 1.259 63.538 63.100 -1.369 0.000 0.763 197 P CB 0.636 31.081 31.700 -2.092 0.000 0.807 198 G N 0.789 109.312 108.800 -0.462 0.000 2.324 198 G HA2 0.370 4.330 3.960 -0.000 0.000 0.293 198 G HA3 0.370 4.330 3.960 -0.000 0.000 0.293 198 G C -0.640 174.356 174.900 0.159 0.000 1.297 198 G CA -0.295 44.785 45.100 -0.034 0.000 0.853 198 G HN 0.602 nan 8.290 nan 0.000 0.535 199 T N -1.433 113.197 114.554 0.127 0.000 2.748 199 T HA 0.596 4.946 4.350 -0.000 0.000 0.304 199 T C 1.688 176.435 174.700 0.079 0.000 1.041 199 T CA 1.247 63.418 62.100 0.118 0.000 1.033 199 T CB 0.894 69.812 68.868 0.083 0.000 0.995 199 T HN 2.729 nan 8.240 nan 0.000 0.536 200 G N 0.382 109.215 108.800 0.055 0.000 2.596 200 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.304 200 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.304 200 G C 1.031 175.920 174.900 -0.019 0.000 1.189 200 G CA 1.784 46.889 45.100 0.007 0.000 0.986 200 G HN 2.021 nan 8.290 nan 0.000 0.548 201 V N 0.551 120.389 119.914 -0.127 0.000 3.380 201 V HA 0.484 4.604 4.120 -0.000 0.000 0.268 201 V C 1.877 177.865 176.094 -0.177 0.000 1.168 201 V CA 1.201 63.332 62.300 -0.280 0.000 1.156 201 V CB -1.040 30.346 31.823 -0.727 0.000 0.785 201 V HN 2.066 nan 8.190 nan 0.000 0.487 202 G N 0.749 109.554 108.800 0.008 0.000 2.097 202 G HA2 0.368 4.328 3.960 -0.000 0.000 0.256 202 G HA3 0.368 4.328 3.960 -0.000 0.000 0.256 202 G C 1.208 176.293 174.900 0.309 0.000 1.082 202 G CA 0.519 45.697 45.100 0.129 0.000 0.956 202 G HN 1.614 nan 8.290 nan 0.000 0.420 203 G N 2.406 111.398 108.800 0.321 0.000 2.234 203 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.235 203 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.235 203 G C 0.258 175.373 174.900 0.358 0.000 0.997 203 G CA 0.202 45.612 45.100 0.515 0.000 0.623 203 G HN 0.779 nan 8.290 nan 0.000 0.514 204 D N 1.589 122.108 120.400 0.199 0.000 2.458 204 D HA 0.466 5.106 4.640 -0.000 0.000 0.243 204 D C 0.259 176.582 176.300 0.038 0.000 1.146 204 D CA 0.842 54.879 54.000 0.060 0.000 0.877 204 D CB 1.188 41.882 40.800 -0.178 0.000 1.176 204 D HN 0.246 nan 8.370 nan 0.000 0.461 205 S N 1.981 117.723 115.700 0.069 0.000 2.498 205 S HA 0.356 4.826 4.470 -0.000 0.000 0.317 205 S C -0.472 174.221 174.600 0.155 0.000 1.090 205 S CA -0.736 57.480 58.200 0.027 0.000 1.089 205 S CB 0.934 64.186 63.200 0.087 0.000 0.997 205 S HN 0.359 nan 8.310 nan 0.000 0.470 206 H N 1.422 120.596 119.070 0.173 0.000 2.489 206 H HA 0.509 5.065 4.556 -0.000 0.000 0.343 206 H C -1.290 174.036 175.328 -0.004 0.000 1.086 206 H CA -0.846 55.392 56.048 0.317 0.000 1.198 206 H CB 1.147 31.284 29.762 0.625 0.000 1.490 206 H HN 0.423 nan 8.280 nan 0.000 0.504 207 F N 1.016 120.883 119.950 -0.139 0.000 2.482 207 F HA 0.115 4.642 4.527 -0.000 0.000 0.331 207 F C 0.458 175.956 175.800 -0.502 0.000 1.115 207 F CA -1.229 56.448 58.000 -0.539 0.000 0.955 207 F CB 1.046 39.309 39.000 -1.228 0.000 1.136 207 F HN 0.502 nan 8.300 nan 0.000 0.452 208 D N 2.194 122.155 120.400 -0.732 0.000 2.382 208 D HA -0.070 4.570 4.640 -0.000 0.000 0.259 208 D C 0.508 176.803 176.300 -0.008 0.000 1.224 208 D CA 0.486 53.986 54.000 -0.834 0.000 0.894 208 D CB 0.720 40.641 40.800 -1.466 0.000 1.127 208 D HN 0.677 nan 8.370 nan 0.000 0.487 209 D N 2.296 122.757 120.400 0.100 0.000 2.363 209 D HA -0.059 4.581 4.640 -0.000 0.000 0.226 209 D C 0.442 176.845 176.300 0.172 0.000 1.020 209 D CA 0.326 54.503 54.000 0.295 0.000 0.892 209 D CB 0.357 41.297 40.800 0.233 0.000 0.900 209 D HN 0.288 nan 8.370 nan 0.000 0.531 210 D N -0.021 120.379 120.400 -0.000 0.000 2.349 210 D HA 0.019 4.659 4.640 -0.000 0.000 0.214 210 D C 0.301 176.551 176.300 -0.084 0.000 1.063 210 D CA 0.237 54.208 54.000 -0.048 0.000 0.847 210 D CB 0.396 41.103 40.800 -0.154 0.000 0.933 210 D HN 0.265 nan 8.370 nan 0.000 0.513 211 E N 0.403 120.530 120.200 -0.121 0.000 2.292 211 E HA 0.233 4.583 4.350 -0.000 0.000 0.258 211 E C -0.113 176.317 176.600 -0.283 0.000 1.115 211 E CA -0.883 55.306 56.400 -0.352 0.000 0.929 211 E CB 1.372 30.524 29.700 -0.913 0.000 1.161 211 E HN -0.046 nan 8.360 nan 0.000 0.453 212 L N 1.857 122.883 121.223 -0.328 0.000 2.288 212 L HA 0.268 4.607 4.340 -0.000 0.000 0.283 212 L C -1.290 175.434 176.870 -0.244 0.000 1.072 212 L CA -0.232 54.494 54.840 -0.190 0.000 0.862 212 L CB -0.061 41.904 42.059 -0.156 0.000 1.245 212 L HN 0.319 nan 8.230 nan 0.000 0.432 213 W N 5.215 126.534 121.300 0.033 0.000 2.388 213 W HA 0.510 5.170 4.660 -0.000 0.000 0.308 213 W C 0.725 177.241 176.519 -0.005 0.000 1.263 213 W CA -0.111 57.255 57.345 0.034 0.000 1.286 213 W CB 1.047 30.561 29.460 0.090 0.000 1.294 213 W HN 0.647 nan 8.180 nan 0.000 0.493 214 T N -0.722 113.919 114.554 0.145 0.000 2.693 214 T HA 0.506 4.856 4.350 -0.000 0.000 0.278 214 T C 0.012 174.734 174.700 0.038 0.000 0.994 214 T CA -0.922 61.204 62.100 0.044 0.000 1.033 214 T CB 0.931 69.762 68.868 -0.062 0.000 1.342 214 T HN 0.266 nan 8.240 nan 0.000 0.538 215 L N 0.715 121.914 121.223 -0.040 0.000 2.685 215 L HA 0.498 4.838 4.340 -0.000 0.000 0.233 215 L C 1.773 178.577 176.870 -0.110 0.000 1.173 215 L CA 0.458 55.287 54.840 -0.018 0.000 0.961 215 L CB -0.508 41.521 42.059 -0.050 0.000 1.217 215 L HN 1.203 nan 8.230 nan 0.000 0.478 216 G N -0.855 107.755 108.800 -0.316 0.000 2.799 216 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.200 216 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.200 216 G C 0.263 174.651 174.900 -0.853 0.000 1.206 216 G CA -0.465 44.035 45.100 -1.001 0.000 0.827 216 G HN 0.292 nan 8.290 nan 0.000 0.511 217 E N 1.454 121.400 120.200 -0.424 0.000 2.359 217 E HA 0.485 4.834 4.350 -0.000 0.000 0.255 217 E C 1.359 177.888 176.600 -0.118 0.000 1.191 217 E CA -0.324 55.978 56.400 -0.164 0.000 0.952 217 E CB 0.091 29.790 29.700 -0.002 0.000 1.152 217 E HN 0.798 nan 8.360 nan 0.000 0.496 218 G N 0.260 109.035 108.800 -0.041 0.000 3.552 218 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.717 218 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.717 218 G C 0.100 175.010 174.900 0.016 0.000 1.292 218 G CA 0.016 45.111 45.100 -0.009 0.000 1.240 218 G HN 0.508 nan 8.290 nan 0.000 0.768 219 Q N -1.541 118.280 119.800 0.036 0.000 2.349 219 Q HA 0.220 4.560 4.340 -0.000 0.000 0.287 219 Q C -0.348 175.772 176.000 0.200 0.000 1.044 219 Q CA -0.034 55.810 55.803 0.068 0.000 0.918 219 Q CB 0.477 29.212 28.738 -0.006 0.000 1.242 219 Q HN 0.233 nan 8.270 nan 0.000 0.405 220 V N 4.651 124.644 119.914 0.132 0.000 2.347 220 V HA 0.316 4.436 4.120 -0.000 0.000 0.280 220 V C -0.431 175.787 176.094 0.207 0.000 1.021 220 V CA -0.614 61.754 62.300 0.112 0.000 0.847 220 V CB 1.527 33.336 31.823 -0.023 0.000 0.990 220 V HN 0.521 nan 8.190 nan 0.000 0.444 221 V N 5.303 125.376 119.914 0.265 0.000 2.357 221 V HA 0.419 4.539 4.120 -0.000 0.000 0.281 221 V C 0.149 176.378 176.094 0.224 0.000 1.015 221 V CA -0.762 61.682 62.300 0.242 0.000 0.827 221 V CB 1.439 33.419 31.823 0.262 0.000 1.018 221 V HN 0.888 nan 8.190 nan 0.000 0.432 222 R N 4.065 124.688 120.500 0.205 0.000 2.288 222 R HA 0.457 4.797 4.340 -0.000 0.000 0.330 222 R C -0.326 175.971 176.300 -0.005 0.000 1.069 222 R CA -0.131 55.980 56.100 0.019 0.000 0.941 222 R CB 0.704 30.948 30.300 -0.095 0.000 0.998 222 R HN 0.544 nan 8.270 nan 0.000 0.452 223 V N 4.113 124.003 119.914 -0.041 0.000 3.287 223 V HA 0.052 4.172 4.120 -0.000 0.000 0.306 223 V C 0.197 176.254 176.094 -0.062 0.000 1.103 223 V CA 0.336 62.620 62.300 -0.028 0.000 1.159 223 V CB 1.095 32.870 31.823 -0.081 0.000 1.036 223 V HN 0.645 nan 8.190 nan 0.000 0.487 224 K N 2.254 122.620 120.400 -0.056 0.000 2.507 224 K HA 0.590 4.910 4.320 -0.000 0.000 0.252 224 K C -1.032 175.462 176.600 -0.176 0.000 0.943 224 K CA -0.459 55.680 56.287 -0.248 0.000 0.808 224 K CB 0.743 33.020 32.500 -0.372 0.000 1.142 224 K HN 0.521 nan 8.250 nan 0.000 0.426 225 Y N 0.363 120.633 120.300 -0.051 0.000 2.926 225 Y HA -0.131 4.419 4.550 -0.000 0.000 0.464 225 Y C 1.160 177.003 175.900 -0.094 0.000 1.226 225 Y CA 0.920 58.988 58.100 -0.053 0.000 2.406 225 Y CB -1.757 36.672 38.460 -0.053 0.000 1.271 225 Y HN 0.933 nan 8.280 nan 0.000 0.634 226 G N -0.283 108.576 108.800 0.098 0.000 2.593 226 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.237 226 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.237 226 G C 0.584 175.285 174.900 -0.332 0.000 1.312 226 G CA 0.565 45.493 45.100 -0.286 0.000 0.896 226 G HN 1.042 nan 8.290 nan 0.000 0.574 227 N N 0.386 118.713 118.700 -0.623 0.000 2.142 227 N HA 0.175 4.914 4.740 -0.000 0.000 0.186 227 N C 1.357 176.790 175.510 -0.128 0.000 1.023 227 N CA 1.167 54.112 53.050 -0.175 0.000 0.852 227 N CB -0.084 38.453 38.487 0.083 0.000 0.998 227 N HN 1.074 nan 8.380 nan 0.000 0.424 228 A N 0.998 123.703 122.820 -0.192 0.000 3.258 228 A HA 0.174 4.494 4.320 -0.000 0.000 0.318 228 A C -1.056 176.458 177.584 -0.118 0.000 0.990 228 A CA -0.570 51.402 52.037 -0.108 0.000 0.885 228 A CB 0.133 19.090 19.000 -0.071 0.000 1.090 228 A HN 0.222 nan 8.150 nan 0.000 0.479 229 D N 0.486 120.830 120.400 -0.093 0.000 2.472 229 D HA 0.355 4.995 4.640 -0.000 0.000 0.237 229 D C 1.517 177.760 176.300 -0.095 0.000 1.141 229 D CA 2.257 56.209 54.000 -0.079 0.000 0.875 229 D CB 0.414 41.206 40.800 -0.014 0.000 1.192 229 D HN 0.965 nan 8.370 nan 0.000 0.450 230 G N 2.467 111.191 108.800 -0.127 0.000 2.268 230 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.240 230 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.240 230 G C 0.087 174.839 174.900 -0.248 0.000 1.010 230 G CA 0.092 45.093 45.100 -0.165 0.000 0.618 230 G HN 0.584 nan 8.290 nan 0.000 0.516 231 E N 0.689 120.777 120.200 -0.186 0.000 2.313 231 E HA 0.493 4.843 4.350 -0.000 0.000 0.276 231 E C 0.168 176.671 176.600 -0.163 0.000 1.031 231 E CA -0.570 55.724 56.400 -0.176 0.000 0.857 231 E CB 0.467 30.116 29.700 -0.084 0.000 1.040 231 E HN 0.395 nan 8.360 nan 0.000 0.408 232 Y N 0.268 120.540 120.300 -0.047 0.000 2.385 232 Y HA -0.033 4.517 4.550 -0.000 0.000 0.346 232 Y C 1.124 176.939 175.900 -0.142 0.000 1.270 232 Y CA -0.265 57.797 58.100 -0.064 0.000 1.472 232 Y CB 0.424 38.862 38.460 -0.037 0.000 1.354 232 Y HN 0.381 nan 8.280 nan 0.000 0.611 233 c N 1.694 120.271 118.600 -0.039 0.000 2.595 233 c HA 0.344 4.913 4.570 -0.000 0.000 0.384 233 c C 0.314 174.123 174.090 -0.468 0.000 1.289 233 c CA -0.803 55.283 56.329 -0.406 0.000 2.372 233 c CB 0.302 42.336 42.510 -0.795 0.000 2.593 233 c HN 0.565 nan 8.230 nan 0.000 0.639 234 K N 1.343 121.445 120.400 -0.495 0.000 2.293 234 K HA 0.598 4.918 4.320 -0.000 0.000 0.267 234 K C -1.542 174.956 176.600 -0.170 0.000 1.010 234 K CA -0.038 56.120 56.287 -0.214 0.000 0.875 234 K CB 0.101 32.602 32.500 0.002 0.000 1.106 234 K HN 0.411 nan 8.250 nan 0.000 0.450 235 F N 5.397 125.456 119.950 0.182 0.000 2.477 235 F HA 0.449 4.976 4.527 -0.000 0.000 0.335 235 F C -1.774 174.094 175.800 0.115 0.000 1.130 235 F CA -2.414 55.677 58.000 0.151 0.000 0.948 235 F CB 1.433 40.491 39.000 0.097 0.000 1.154 235 F HN 0.460 nan 8.300 nan 0.000 0.439 236 P HA 0.507 nan 4.420 nan 0.000 0.281 236 P C -1.222 176.160 177.300 0.137 0.000 1.264 236 P CA -0.329 62.905 63.100 0.222 0.000 0.824 236 P CB 1.541 33.277 31.700 0.061 0.000 1.092 237 F N -0.958 118.946 119.950 -0.077 0.000 2.588 237 F HA 0.673 5.200 4.527 -0.000 0.000 0.314 237 F C -1.558 174.013 175.800 -0.383 0.000 1.069 237 F CA -1.595 56.210 58.000 -0.325 0.000 0.931 237 F CB 1.074 40.016 39.000 -0.097 0.000 1.260 237 F HN 0.133 nan 8.300 nan 0.000 0.465 238 L N 3.581 124.600 121.223 -0.340 0.000 2.307 238 L HA 0.601 4.941 4.340 -0.000 0.000 0.284 238 L C -1.700 175.449 176.870 0.465 0.000 1.023 238 L CA -0.824 53.979 54.840 -0.061 0.000 0.810 238 L CB 1.476 43.486 42.059 -0.081 0.000 1.231 238 L HN 0.792 nan 8.230 nan 0.000 0.423 239 F N 5.483 125.642 119.950 0.349 0.000 2.579 239 F HA 0.407 4.934 4.527 -0.000 0.000 0.325 239 F C 0.169 176.184 175.800 0.359 0.000 1.162 239 F CA -0.801 57.488 58.000 0.481 0.000 0.946 239 F CB 0.800 40.162 39.000 0.603 0.000 1.211 239 F HN 0.574 nan 8.300 nan 0.000 0.447 240 N N 4.411 122.927 118.700 -0.307 0.000 2.725 240 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 240 N C 0.542 176.000 175.510 -0.085 0.000 1.031 240 N CA 1.432 54.295 53.050 -0.311 0.000 0.720 240 N CB -1.070 37.065 38.487 -0.586 0.000 0.930 240 N HN 1.514 nan 8.380 nan 0.000 0.543 241 G N -0.264 108.534 108.800 -0.004 0.000 2.351 241 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.297 241 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.297 241 G C -0.227 174.659 174.900 -0.025 0.000 1.054 241 G CA 1.043 46.144 45.100 0.002 0.000 1.123 241 G HN 0.756 nan 8.290 nan 0.000 0.512 242 K N -0.749 119.628 120.400 -0.040 0.000 2.625 242 K HA 0.402 4.722 4.320 -0.000 0.000 0.284 242 K C -1.074 175.361 176.600 -0.275 0.000 0.984 242 K CA -0.819 55.358 56.287 -0.184 0.000 0.865 242 K CB 1.372 33.723 32.500 -0.248 0.000 1.468 242 K HN 0.192 nan 8.250 nan 0.000 0.407 243 E N 1.482 121.433 120.200 -0.415 0.000 2.191 243 E HA 0.304 4.654 4.350 -0.000 0.000 0.274 243 E C -1.532 174.623 176.600 -0.741 0.000 0.948 243 E CA -0.754 55.377 56.400 -0.449 0.000 0.802 243 E CB 1.379 30.932 29.700 -0.245 0.000 1.137 243 E HN 0.308 nan 8.360 nan 0.000 0.397 244 Y N 1.699 121.610 120.300 -0.648 0.000 2.328 244 Y HA 0.226 4.775 4.550 -0.000 0.000 0.333 244 Y C 0.790 176.402 175.900 -0.479 0.000 0.958 244 Y CA -0.630 57.049 58.100 -0.702 0.000 1.167 244 Y CB 1.181 38.894 38.460 -1.245 0.000 1.151 244 Y HN 0.480 nan 8.280 nan 0.000 0.470 245 N N 1.400 120.005 118.700 -0.158 0.000 2.280 245 N HA 0.033 4.773 4.740 -0.000 0.000 0.192 245 N C -0.470 174.664 175.510 -0.627 0.000 1.109 245 N CA 0.253 53.203 53.050 -0.166 0.000 0.855 245 N CB 0.593 38.985 38.487 -0.157 0.000 0.974 245 N HN 0.581 nan 8.380 nan 0.000 0.482 246 S N -1.234 114.131 115.700 -0.558 0.000 2.578 246 S HA 0.213 4.683 4.470 -0.000 0.000 0.272 246 S C -0.475 174.101 174.600 -0.039 0.000 1.145 246 S CA -0.831 56.845 58.200 -0.873 0.000 0.835 246 S CB 0.436 63.319 63.200 -0.528 0.000 1.104 246 S HN 0.110 nan 8.310 nan 0.000 0.458 247 c N 2.334 121.030 118.600 0.159 0.000 2.431 247 c HA 0.489 5.059 4.570 -0.000 0.000 0.397 247 c C 1.158 175.219 174.090 -0.049 0.000 1.436 247 c CA 0.721 57.126 56.329 0.127 0.000 1.596 247 c CB -0.976 41.614 42.510 0.134 0.000 2.550 247 c HN 0.923 nan 8.230 nan 0.000 0.596 248 T N 0.981 115.371 114.554 -0.274 0.000 2.909 248 T HA 0.387 4.736 4.350 -0.000 0.000 0.299 248 T C 0.462 175.013 174.700 -0.249 0.000 1.073 248 T CA -0.474 61.459 62.100 -0.279 0.000 0.999 248 T CB 1.237 69.816 68.868 -0.481 0.000 1.098 248 T HN 0.785 nan 8.240 nan 0.000 0.477 249 D N 2.104 122.513 120.400 0.014 0.000 2.339 249 D HA 0.056 4.696 4.640 -0.000 0.000 0.217 249 D C 0.839 177.279 176.300 0.232 0.000 1.050 249 D CA -0.016 54.107 54.000 0.206 0.000 0.856 249 D CB -0.301 40.630 40.800 0.219 0.000 0.922 249 D HN 0.448 nan 8.370 nan 0.000 0.518 250 T N -0.640 113.983 114.554 0.114 0.000 2.908 250 T HA 0.338 4.687 4.350 -0.000 0.000 0.301 250 T C 1.396 176.260 174.700 0.273 0.000 1.019 250 T CA 1.555 63.756 62.100 0.169 0.000 1.152 250 T CB 0.069 68.992 68.868 0.092 0.000 0.966 250 T HN 0.546 nan 8.240 nan 0.000 0.540 251 G N 4.489 113.447 108.800 0.264 0.000 2.195 251 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.246 251 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.246 251 G C 0.254 175.241 174.900 0.146 0.000 0.984 251 G CA -0.109 45.133 45.100 0.238 0.000 0.633 251 G HN 0.770 nan 8.290 nan 0.000 0.525 252 R N 0.311 120.922 120.500 0.184 0.000 2.598 252 R HA 0.714 5.053 4.340 -0.000 0.000 0.279 252 R C 0.741 177.133 176.300 0.154 0.000 0.984 252 R CA 0.004 56.205 56.100 0.169 0.000 0.999 252 R CB 1.417 31.885 30.300 0.279 0.000 1.114 252 R HN 0.106 nan 8.270 nan 0.000 0.493 253 S N 0.099 115.871 115.700 0.119 0.000 2.505 253 S HA -0.039 4.431 4.470 -0.000 0.000 0.216 253 S C 0.806 175.472 174.600 0.110 0.000 1.018 253 S CA 0.194 58.455 58.200 0.102 0.000 0.911 253 S CB 0.305 63.546 63.200 0.068 0.000 0.818 253 S HN 0.638 nan 8.310 nan 0.000 0.497 254 D N 0.018 120.493 120.400 0.125 0.000 2.346 254 D HA 0.150 4.790 4.640 -0.000 0.000 0.206 254 D C 1.303 177.776 176.300 0.287 0.000 1.001 254 D CA 0.954 55.043 54.000 0.149 0.000 0.871 254 D CB -0.166 40.645 40.800 0.019 0.000 0.943 254 D HN 0.461 nan 8.370 nan 0.000 0.518 255 G N 0.599 109.585 108.800 0.309 0.000 2.132 255 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.234 255 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.234 255 G C -0.208 174.936 174.900 0.408 0.000 0.989 255 G CA -0.342 44.942 45.100 0.308 0.000 0.676 255 G HN 0.214 nan 8.290 nan 0.000 0.522 256 F N 0.376 120.466 119.950 0.234 0.000 2.389 256 F HA 0.613 5.140 4.527 -0.000 0.000 0.337 256 F C 1.232 177.295 175.800 0.439 0.000 1.112 256 F CA -0.912 57.276 58.000 0.315 0.000 1.192 256 F CB 0.867 40.023 39.000 0.259 0.000 1.185 256 F HN -0.015 nan 8.300 nan 0.000 0.552 257 L N 4.488 126.007 121.223 0.493 0.000 2.292 257 L HA 0.300 4.639 4.340 -0.000 0.000 0.284 257 L C -0.455 176.710 176.870 0.492 0.000 1.065 257 L CA -0.479 54.587 54.840 0.377 0.000 0.806 257 L CB 0.474 42.670 42.059 0.228 0.000 1.175 257 L HN 0.633 nan 8.230 nan 0.000 0.431 258 W N 3.639 125.006 121.300 0.112 0.000 3.029 258 W HA 0.708 5.368 4.660 -0.000 0.000 0.339 258 W C -1.330 175.084 176.519 -0.174 0.000 1.198 258 W CA -1.456 55.810 57.345 -0.131 0.000 1.148 258 W CB 1.242 30.423 29.460 -0.465 0.000 1.451 258 W HN 0.702 nan 8.180 nan 0.000 0.564 259 c N 0.150 118.615 118.600 -0.225 0.000 3.170 259 c HA 0.674 5.244 4.570 -0.000 0.000 0.319 259 c C 0.276 173.951 174.090 -0.693 0.000 1.260 259 c CA -0.645 55.212 56.329 -0.786 0.000 1.374 259 c CB 1.156 43.431 42.510 -0.392 0.000 1.739 259 c HN 0.877 nan 8.230 nan 0.000 0.479 260 S N 0.538 115.347 115.700 -1.486 0.000 2.584 260 S HA 0.394 4.864 4.470 -0.000 0.000 0.270 260 S C 1.095 175.490 174.600 -0.342 0.000 1.346 260 S CA 0.423 58.240 58.200 -0.638 0.000 1.018 260 S CB 0.593 63.455 63.200 -0.564 0.000 0.899 260 S HN 0.913 nan 8.310 nan 0.000 0.542 261 T N 2.052 116.565 114.554 -0.069 0.000 3.060 261 T HA 0.208 4.558 4.350 -0.000 0.000 0.249 261 T C 0.258 174.974 174.700 0.027 0.000 1.079 261 T CA 0.544 62.620 62.100 -0.041 0.000 1.013 261 T CB -0.038 68.833 68.868 0.005 0.000 0.975 261 T HN 0.839 nan 8.240 nan 0.000 0.518 262 T N -1.819 112.788 114.554 0.088 0.000 2.883 262 T HA 0.435 4.784 4.350 -0.000 0.000 0.301 262 T C 0.335 175.190 174.700 0.258 0.000 1.158 262 T CA -0.880 61.320 62.100 0.167 0.000 1.007 262 T CB 1.496 70.469 68.868 0.176 0.000 1.186 262 T HN -0.076 nan 8.240 nan 0.000 0.499 263 Y N 1.856 122.273 120.300 0.194 0.000 2.114 263 Y HA -0.050 4.500 4.550 -0.000 0.000 0.282 263 Y C 0.941 177.023 175.900 0.304 0.000 1.165 263 Y CA 1.663 59.913 58.100 0.250 0.000 1.148 263 Y CB -0.024 38.540 38.460 0.173 0.000 0.972 263 Y HN 0.596 nan 8.280 nan 0.000 0.504 264 N N 0.658 119.650 118.700 0.485 0.000 2.462 264 N HA 0.005 4.745 4.740 -0.000 0.000 0.242 264 N C 0.198 175.928 175.510 0.367 0.000 1.010 264 N CA -0.086 53.211 53.050 0.411 0.000 0.939 264 N CB 0.618 39.295 38.487 0.316 0.000 1.127 264 N HN 0.260 nan 8.380 nan 0.000 0.509 265 F N 3.203 123.308 119.950 0.260 0.000 2.293 265 F HA 0.045 4.572 4.527 -0.000 0.000 0.297 265 F C 1.684 177.588 175.800 0.173 0.000 1.089 265 F CA 1.191 59.335 58.000 0.240 0.000 1.377 265 F CB 0.411 39.648 39.000 0.394 0.000 1.051 265 F HN 0.436 nan 8.300 nan 0.000 0.511 266 E N 0.312 120.561 120.200 0.082 0.000 2.072 266 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 266 E C 2.118 178.680 176.600 -0.063 0.000 0.985 266 E CA 1.390 57.749 56.400 -0.068 0.000 0.801 266 E CB -0.142 29.572 29.700 0.023 0.000 0.750 266 E HN 0.317 nan 8.360 nan 0.000 0.452 267 K N 0.261 120.679 120.400 0.030 0.000 2.062 267 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 267 K C 0.480 177.090 176.600 0.017 0.000 1.051 267 K CA 0.764 57.070 56.287 0.032 0.000 0.941 267 K CB 0.175 32.720 32.500 0.076 0.000 0.719 267 K HN 0.123 nan 8.250 nan 0.000 0.440 268 D N -1.994 118.433 120.400 0.044 0.000 2.478 268 D HA 0.129 4.769 4.640 -0.000 0.000 0.263 268 D C 0.768 177.055 176.300 -0.022 0.000 1.153 268 D CA -0.043 53.984 54.000 0.044 0.000 1.038 268 D CB 1.768 42.633 40.800 0.109 0.000 1.120 268 D HN 0.190 nan 8.370 nan 0.000 0.564 269 G N -0.454 108.357 108.800 0.017 0.000 2.720 269 G HA2 -0.039 3.920 3.960 -0.000 0.000 0.204 269 G HA3 -0.039 3.920 3.960 -0.000 0.000 0.204 269 G C 0.160 175.174 174.900 0.191 0.000 1.113 269 G CA -0.204 44.899 45.100 0.004 0.000 0.805 269 G HN 0.331 nan 8.290 nan 0.000 0.536 270 K N 0.902 121.413 120.400 0.184 0.000 2.484 270 K HA 0.307 4.627 4.320 -0.000 0.000 0.280 270 K C -0.528 176.258 176.600 0.310 0.000 1.013 270 K CA 0.093 56.499 56.287 0.198 0.000 1.029 270 K CB 0.443 32.993 32.500 0.083 0.000 0.902 270 K HN 0.510 nan 8.250 nan 0.000 0.481 271 Y N -0.783 119.552 120.300 0.059 0.000 2.974 271 Y HA 0.744 5.293 4.550 -0.000 0.000 0.310 271 Y C -0.423 175.420 175.900 -0.094 0.000 1.551 271 Y CA -0.785 57.291 58.100 -0.039 0.000 1.084 271 Y CB 0.989 39.375 38.460 -0.123 0.000 1.446 271 Y HN 0.798 nan 8.280 nan 0.000 0.472 272 G N -0.404 108.058 108.800 -0.563 0.000 2.322 272 G HA2 0.443 4.403 3.960 -0.000 0.000 0.295 272 G HA3 0.443 4.403 3.960 -0.000 0.000 0.295 272 G C -2.552 172.168 174.900 -0.301 0.000 1.369 272 G CA -1.156 43.588 45.100 -0.593 0.000 0.821 272 G HN 0.519 nan 8.290 nan 0.000 0.536 273 F N 0.155 120.126 119.950 0.035 0.000 2.421 273 F HA 0.543 5.070 4.527 -0.000 0.000 0.337 273 F C 0.857 176.757 175.800 0.168 0.000 1.105 273 F CA -0.499 57.612 58.000 0.185 0.000 1.049 273 F CB 1.702 40.821 39.000 0.198 0.000 1.139 273 F HN 0.447 nan 8.300 nan 0.000 0.479 274 c N 4.265 123.126 118.600 0.434 0.000 2.388 274 c HA 0.413 4.983 4.570 -0.000 0.000 0.362 274 c C -2.120 172.234 174.090 0.441 0.000 1.266 274 c CA -1.502 55.025 56.329 0.329 0.000 2.028 274 c CB 0.433 43.085 42.510 0.236 0.000 2.440 274 c HN 0.486 nan 8.230 nan 0.000 0.547 275 P HA 0.166 nan 4.420 nan 0.000 0.268 275 P C -0.537 176.749 177.300 -0.023 0.000 1.204 275 P CA 0.780 63.977 63.100 0.163 0.000 0.768 275 P CB 0.241 32.002 31.700 0.100 0.000 0.842 276 H N 1.099 119.863 119.070 -0.510 0.000 3.174 276 H HA 0.089 4.645 4.556 -0.000 0.000 0.307 276 H C 0.359 175.435 175.328 -0.420 0.000 1.116 276 H CA -0.411 55.438 56.048 -0.331 0.000 1.489 276 H CB 0.500 30.161 29.762 -0.170 0.000 2.104 276 H HN 0.281 nan 8.280 nan 0.000 0.414 277 E N 3.061 123.243 120.200 -0.029 0.000 2.219 277 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 277 E C 1.928 178.387 176.600 -0.236 0.000 0.998 277 E CA 1.588 57.915 56.400 -0.122 0.000 0.818 277 E CB 0.111 29.898 29.700 0.146 0.000 0.741 277 E HN 0.591 nan 8.360 nan 0.000 0.477 278 A N 0.311 122.836 122.820 -0.493 0.000 1.972 278 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 278 A C 2.025 179.374 177.584 -0.393 0.000 1.169 278 A CA 1.177 52.923 52.037 -0.485 0.000 0.635 278 A CB -0.328 18.172 19.000 -0.833 0.000 0.810 278 A HN 0.213 nan 8.150 nan 0.000 0.446 279 L N -2.555 118.396 121.223 -0.453 0.000 2.269 279 L HA 0.333 4.673 4.340 -0.000 0.000 0.200 279 L C 0.481 177.256 176.870 -0.160 0.000 1.069 279 L CA 0.273 54.858 54.840 -0.425 0.000 0.804 279 L CB -0.041 41.644 42.059 -0.622 0.000 0.987 279 L HN 0.546 nan 8.230 nan 0.000 0.468 280 F N -3.261 116.583 119.950 -0.176 0.000 2.678 280 F HA 0.644 5.171 4.527 -0.000 0.000 0.308 280 F C -0.614 175.176 175.800 -0.017 0.000 1.118 280 F CA -0.947 57.031 58.000 -0.038 0.000 0.959 280 F CB 1.206 40.244 39.000 0.063 0.000 1.305 280 F HN -0.335 nan 8.300 nan 0.000 0.443 281 T N 1.449 116.087 114.554 0.140 0.000 2.922 281 T HA 0.723 5.073 4.350 -0.000 0.000 0.281 281 T C -0.889 173.970 174.700 0.265 0.000 1.005 281 T CA -0.547 61.580 62.100 0.044 0.000 0.982 281 T CB 1.296 70.152 68.868 -0.020 0.000 1.158 281 T HN 0.784 nan 8.240 nan 0.000 0.566 282 M N 0.541 120.260 119.600 0.199 0.000 2.724 282 M HA 0.627 5.107 4.480 -0.000 0.000 0.310 282 M C 0.774 177.196 176.300 0.203 0.000 1.217 282 M CA 0.692 56.128 55.300 0.228 0.000 0.894 282 M CB 1.261 33.982 32.600 0.202 0.000 1.719 282 M HN 1.022 nan 8.290 nan 0.000 0.479 283 G N 1.321 110.205 108.800 0.140 0.000 2.564 283 G HA2 0.150 4.110 3.960 -0.000 0.000 0.309 283 G HA3 0.150 4.110 3.960 -0.000 0.000 0.309 283 G C 0.444 175.355 174.900 0.018 0.000 1.320 283 G CA 0.075 45.237 45.100 0.104 0.000 0.941 283 G HN 2.013 nan 8.290 nan 0.000 0.543 284 G N -1.739 107.029 108.800 -0.053 0.000 2.907 284 G HA2 0.080 4.040 3.960 -0.000 0.000 0.242 284 G HA3 0.080 4.040 3.960 -0.000 0.000 0.242 284 G C 0.525 175.164 174.900 -0.434 0.000 1.448 284 G CA 0.902 45.616 45.100 -0.644 0.000 0.911 284 G HN 2.464 nan 8.290 nan 0.000 0.553 285 N N -0.480 117.911 118.700 -0.514 0.000 2.383 285 N HA 0.423 5.163 4.740 -0.000 0.000 0.192 285 N C 1.830 177.256 175.510 -0.139 0.000 1.141 285 N CA 1.472 54.410 53.050 -0.187 0.000 0.851 285 N CB 0.368 38.831 38.487 -0.041 0.000 0.976 285 N HN 1.136 nan 8.380 nan 0.000 0.465 286 A N 0.592 123.297 122.820 -0.192 0.000 2.123 286 A HA 0.042 4.361 4.320 -0.000 0.000 0.214 286 A C 0.564 178.118 177.584 -0.050 0.000 1.152 286 A CA 0.089 52.065 52.037 -0.101 0.000 0.728 286 A CB -0.553 18.377 19.000 -0.116 0.000 0.814 286 A HN 0.391 nan 8.150 nan 0.000 0.464 287 E N -2.453 117.719 120.200 -0.046 0.000 2.297 287 E HA -0.217 4.133 4.350 -0.000 0.000 0.228 287 E C 0.785 177.400 176.600 0.025 0.000 1.213 287 E CA 0.509 56.903 56.400 -0.009 0.000 0.712 287 E CB -1.828 27.860 29.700 -0.019 0.000 1.202 287 E HN 1.452 nan 8.360 nan 0.000 0.376 288 G N -0.835 108.001 108.800 0.060 0.000 2.176 288 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.232 288 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.232 288 G C 0.130 175.121 174.900 0.153 0.000 0.986 288 G CA 0.046 45.236 45.100 0.149 0.000 0.643 288 G HN 0.207 nan 8.290 nan 0.000 0.522 289 Q N 0.909 120.750 119.800 0.069 0.000 2.364 289 Q HA 0.325 4.665 4.340 -0.000 0.000 0.267 289 Q C -2.154 173.853 176.000 0.011 0.000 0.999 289 Q CA -1.227 54.602 55.803 0.043 0.000 0.886 289 Q CB 0.647 29.385 28.738 -0.001 0.000 1.243 289 Q HN 0.274 nan 8.270 nan 0.000 0.415 290 P HA 0.043 nan 4.420 nan 0.000 0.269 290 P C -0.353 176.827 177.300 -0.199 0.000 1.215 290 P CA -0.244 62.795 63.100 -0.101 0.000 0.780 290 P CB 0.517 32.160 31.700 -0.094 0.000 0.898 291 c N 1.724 120.124 118.600 -0.333 0.000 2.745 291 c HA 0.208 4.778 4.570 -0.000 0.000 0.387 291 c C 0.930 174.656 174.090 -0.607 0.000 1.312 291 c CA 0.293 56.278 56.329 -0.573 0.000 2.204 291 c CB -1.000 40.927 42.510 -0.971 0.000 2.686 291 c HN 0.426 nan 8.230 nan 0.000 0.705 292 K N 1.039 121.113 120.400 -0.543 0.000 2.389 292 K HA 0.544 4.864 4.320 -0.000 0.000 0.261 292 K C -1.486 175.006 176.600 -0.180 0.000 1.014 292 K CA -0.071 56.053 56.287 -0.271 0.000 0.920 292 K CB -0.135 32.329 32.500 -0.060 0.000 1.149 292 K HN 0.408 nan 8.250 nan 0.000 0.444 293 F N 5.134 125.158 119.950 0.124 0.000 2.436 293 F HA 0.487 5.014 4.527 -0.000 0.000 0.340 293 F C -1.582 174.254 175.800 0.060 0.000 1.113 293 F CA -2.347 55.720 58.000 0.111 0.000 1.022 293 F CB 1.110 40.148 39.000 0.064 0.000 1.128 293 F HN 0.451 nan 8.300 nan 0.000 0.466 294 P HA 0.425 nan 4.420 nan 0.000 0.282 294 P C -1.301 176.143 177.300 0.240 0.000 1.259 294 P CA -0.410 62.827 63.100 0.229 0.000 0.826 294 P CB 1.338 33.072 31.700 0.057 0.000 1.064 295 F N -0.849 119.246 119.950 0.242 0.000 2.482 295 F HA 0.697 5.224 4.527 -0.000 0.000 0.331 295 F C 0.081 176.052 175.800 0.286 0.000 1.115 295 F CA -1.795 56.327 58.000 0.203 0.000 0.955 295 F CB 1.270 40.355 39.000 0.141 0.000 1.136 295 F HN 0.104 nan 8.300 nan 0.000 0.452 296 R N 4.034 124.764 120.500 0.384 0.000 2.296 296 R HA 0.375 4.715 4.340 -0.000 0.000 0.323 296 R C -1.858 174.805 176.300 0.605 0.000 1.067 296 R CA -0.189 56.118 56.100 0.346 0.000 0.946 296 R CB 0.008 30.448 30.300 0.234 0.000 0.991 296 R HN 0.705 nan 8.270 nan 0.000 0.448 297 F N 5.976 126.200 119.950 0.457 0.000 2.532 297 F HA 0.333 4.860 4.527 -0.000 0.000 0.365 297 F C -0.094 175.940 175.800 0.390 0.000 1.112 297 F CA -0.554 57.760 58.000 0.523 0.000 1.082 297 F CB 0.179 39.528 39.000 0.581 0.000 1.319 297 F HN 0.908 nan 8.300 nan 0.000 0.457 298 Q N 2.421 122.219 119.800 -0.004 0.000 1.113 298 Q HA -0.245 4.095 4.340 -0.000 0.000 0.352 298 Q C 1.640 177.602 176.000 -0.063 0.000 1.021 298 Q CA 2.105 57.822 55.803 -0.144 0.000 0.584 298 Q CB -1.199 27.302 28.738 -0.395 0.000 4.825 298 Q HN 0.947 nan 8.270 nan 0.000 0.491 299 G N -0.951 107.794 108.800 -0.092 0.000 2.783 299 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.225 299 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.225 299 G C 0.417 175.276 174.900 -0.068 0.000 1.191 299 G CA 1.799 46.861 45.100 -0.065 0.000 0.774 299 G HN 0.549 nan 8.290 nan 0.000 0.632 300 T N -0.510 113.988 114.554 -0.094 0.000 2.918 300 T HA 0.522 4.872 4.350 -0.000 0.000 0.283 300 T C -0.225 174.345 174.700 -0.218 0.000 1.001 300 T CA -0.267 61.689 62.100 -0.241 0.000 1.041 300 T CB 1.781 70.334 68.868 -0.524 0.000 1.028 300 T HN 0.106 nan 8.240 nan 0.000 0.511 301 S N 1.183 116.693 115.700 -0.316 0.000 2.474 301 S HA 0.487 4.957 4.470 -0.000 0.000 0.321 301 S C -1.271 173.066 174.600 -0.437 0.000 1.080 301 S CA -0.663 57.405 58.200 -0.220 0.000 1.106 301 S CB -0.138 62.989 63.200 -0.121 0.000 0.984 301 S HN 0.479 nan 8.310 nan 0.000 0.464 302 Y N 2.390 122.375 120.300 -0.524 0.000 2.313 302 Y HA 0.267 4.817 4.550 -0.000 0.000 0.332 302 Y C 1.038 176.663 175.900 -0.458 0.000 1.071 302 Y CA -0.738 56.981 58.100 -0.636 0.000 1.169 302 Y CB 0.928 38.735 38.460 -1.089 0.000 1.192 302 Y HN 0.604 nan 8.280 nan 0.000 0.487 303 D N 0.778 121.062 120.400 -0.194 0.000 2.424 303 D HA 0.178 4.818 4.640 -0.000 0.000 0.220 303 D C -0.651 175.228 176.300 -0.701 0.000 1.150 303 D CA 0.082 53.944 54.000 -0.230 0.000 0.831 303 D CB 0.237 40.920 40.800 -0.196 0.000 0.981 303 D HN 0.458 nan 8.370 nan 0.000 0.500 304 S N -2.134 113.215 115.700 -0.585 0.000 2.615 304 S HA 0.332 4.801 4.470 -0.000 0.000 0.268 304 S C -0.444 174.181 174.600 0.042 0.000 1.146 304 S CA -1.027 56.718 58.200 -0.757 0.000 0.818 304 S CB 0.261 63.231 63.200 -0.383 0.000 1.111 304 S HN 0.051 nan 8.310 nan 0.000 0.465 305 c N 1.525 120.208 118.600 0.138 0.000 2.702 305 c HA 0.731 5.301 4.570 -0.000 0.000 0.411 305 c C 1.197 175.249 174.090 -0.063 0.000 1.286 305 c CA 0.386 56.769 56.329 0.090 0.000 1.979 305 c CB 0.183 42.739 42.510 0.075 0.000 2.728 305 c HN 0.981 nan 8.230 nan 0.000 0.652 306 T N -0.799 113.586 114.554 -0.281 0.000 2.754 306 T HA 0.549 4.899 4.350 -0.000 0.000 0.296 306 T C 0.460 175.034 174.700 -0.210 0.000 1.205 306 T CA 0.219 62.188 62.100 -0.217 0.000 1.009 306 T CB 1.452 70.179 68.868 -0.234 0.000 1.368 306 T HN 0.783 nan 8.240 nan 0.000 0.509 307 T N -0.739 113.840 114.554 0.041 0.000 3.182 307 T HA 0.356 4.706 4.350 -0.000 0.000 0.277 307 T C 0.265 175.184 174.700 0.365 0.000 1.013 307 T CA -0.271 61.995 62.100 0.276 0.000 0.900 307 T CB 0.150 69.169 68.868 0.251 0.000 1.098 307 T HN 0.472 nan 8.240 nan 0.000 0.543 308 E N 1.535 121.908 120.200 0.289 0.000 2.442 308 E HA 0.398 4.747 4.350 -0.000 0.000 0.262 308 E C 1.559 178.455 176.600 0.494 0.000 1.004 308 E CA 1.509 58.142 56.400 0.388 0.000 0.928 308 E CB -0.226 29.724 29.700 0.417 0.000 0.937 308 E HN 0.504 nan 8.360 nan 0.000 0.446 309 G N 4.007 113.028 108.800 0.368 0.000 2.212 309 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.266 309 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.266 309 G C 0.261 175.256 174.900 0.158 0.000 0.978 309 G CA 0.633 45.892 45.100 0.266 0.000 0.632 309 G HN 0.514 nan 8.290 nan 0.000 0.537 310 R N -0.473 120.152 120.500 0.208 0.000 2.643 310 R HA 0.633 4.973 4.340 -0.000 0.000 0.272 310 R C 1.380 177.795 176.300 0.191 0.000 0.995 310 R CA 0.111 56.321 56.100 0.182 0.000 1.032 310 R CB 1.119 31.582 30.300 0.271 0.000 1.126 310 R HN 0.331 nan 8.270 nan 0.000 0.505 311 T N -3.837 110.824 114.554 0.177 0.000 2.959 311 T HA -0.031 4.318 4.350 -0.000 0.000 0.254 311 T C 0.730 175.547 174.700 0.196 0.000 1.003 311 T CA 0.047 62.244 62.100 0.162 0.000 0.950 311 T CB 0.046 68.989 68.868 0.124 0.000 1.090 311 T HN 0.638 nan 8.240 nan 0.000 0.503 312 D N 1.843 122.406 120.400 0.272 0.000 2.324 312 D HA 0.258 4.898 4.640 -0.000 0.000 0.235 312 D C 1.544 178.075 176.300 0.385 0.000 1.095 312 D CA 0.271 54.507 54.000 0.393 0.000 0.871 312 D CB -1.026 40.102 40.800 0.546 0.000 0.906 312 D HN 0.521 nan 8.370 nan 0.000 0.522 313 G N 0.122 109.088 108.800 0.277 0.000 2.390 313 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.299 313 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.299 313 G C -0.685 174.322 174.900 0.178 0.000 1.002 313 G CA 0.060 45.286 45.100 0.209 0.000 0.979 313 G HN 0.451 nan 8.290 nan 0.000 0.513 314 Y N -0.052 120.418 120.300 0.283 0.000 2.385 314 Y HA 0.473 5.023 4.550 -0.000 0.000 0.341 314 Y C 1.334 177.464 175.900 0.384 0.000 0.965 314 Y CA -0.968 57.297 58.100 0.274 0.000 1.180 314 Y CB 0.882 39.471 38.460 0.215 0.000 1.139 314 Y HN 0.244 nan 8.280 nan 0.000 0.502 315 R N 4.098 124.807 120.500 0.348 0.000 2.697 315 R HA 0.022 4.362 4.340 -0.000 0.000 0.265 315 R C -0.494 176.061 176.300 0.425 0.000 1.009 315 R CA 0.528 56.793 56.100 0.275 0.000 1.099 315 R CB 0.467 30.846 30.300 0.133 0.000 0.965 315 R HN 0.814 nan 8.270 nan 0.000 0.428 316 W N 0.918 122.236 121.300 0.029 0.000 2.959 316 W HA 0.531 5.191 4.660 -0.000 0.000 0.358 316 W C -1.605 174.774 176.519 -0.233 0.000 1.228 316 W CA -1.269 55.941 57.345 -0.225 0.000 1.183 316 W CB 0.376 29.480 29.460 -0.594 0.000 1.467 316 W HN 0.832 nan 8.180 nan 0.000 0.578 317 c N -0.147 118.291 118.600 -0.269 0.000 3.312 317 c HA 0.845 5.415 4.570 -0.000 0.000 0.332 317 c C 0.284 173.837 174.090 -0.894 0.000 1.340 317 c CA 0.025 55.833 56.329 -0.868 0.000 1.265 317 c CB 1.263 43.572 42.510 -0.336 0.000 1.563 317 c HN 1.220 nan 8.230 nan 0.000 0.471 318 G N 0.497 108.109 108.800 -1.979 0.000 2.476 318 G HA2 0.521 4.481 3.960 -0.000 0.000 0.269 318 G HA3 0.521 4.481 3.960 -0.000 0.000 0.269 318 G C 0.420 175.046 174.900 -0.457 0.000 1.195 318 G CA 0.217 44.771 45.100 -0.909 0.000 0.843 318 G HN 1.108 nan 8.290 nan 0.000 0.545 319 T N -0.224 114.242 114.554 -0.147 0.000 3.054 319 T HA 0.257 4.607 4.350 -0.000 0.000 0.255 319 T C 0.786 175.459 174.700 -0.045 0.000 1.035 319 T CA 0.541 62.570 62.100 -0.118 0.000 0.941 319 T CB -0.055 68.769 68.868 -0.074 0.000 1.026 319 T HN 0.839 nan 8.240 nan 0.000 0.533 320 T N -1.148 113.420 114.554 0.023 0.000 2.841 320 T HA 0.386 4.736 4.350 -0.000 0.000 0.296 320 T C 0.568 175.353 174.700 0.142 0.000 1.166 320 T CA -0.984 61.154 62.100 0.064 0.000 1.007 320 T CB 1.926 70.833 68.868 0.066 0.000 1.253 320 T HN -0.027 nan 8.240 nan 0.000 0.511 321 E N 0.261 120.540 120.200 0.132 0.000 2.219 321 E HA -0.126 4.223 4.350 -0.000 0.000 0.198 321 E C 0.081 176.818 176.600 0.229 0.000 0.998 321 E CA 1.055 57.558 56.400 0.172 0.000 0.818 321 E CB 0.056 29.826 29.700 0.115 0.000 0.741 321 E HN 0.581 nan 8.360 nan 0.000 0.477 322 D N -0.977 119.548 120.400 0.208 0.000 2.469 322 D HA 0.008 4.648 4.640 -0.000 0.000 0.251 322 D C -0.298 176.159 176.300 0.261 0.000 1.173 322 D CA -0.628 53.512 54.000 0.233 0.000 0.882 322 D CB 0.766 41.650 40.800 0.140 0.000 1.129 322 D HN -0.075 nan 8.370 nan 0.000 0.549 323 Y N 3.966 124.437 120.300 0.285 0.000 2.263 323 Y HA -0.091 4.459 4.550 -0.000 0.000 0.292 323 Y C 1.372 177.385 175.900 0.188 0.000 1.130 323 Y CA 1.542 59.773 58.100 0.218 0.000 1.179 323 Y CB 0.295 38.923 38.460 0.280 0.000 0.998 323 Y HN 0.352 nan 8.280 nan 0.000 0.532 324 D N 0.051 120.480 120.400 0.048 0.000 2.144 324 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 324 D C 2.196 178.431 176.300 -0.108 0.000 0.984 324 D CA 1.231 55.195 54.000 -0.061 0.000 0.834 324 D CB -0.240 40.651 40.800 0.151 0.000 0.955 324 D HN 0.372 nan 8.370 nan 0.000 0.465 325 R N 0.702 121.182 120.500 -0.033 0.000 2.062 325 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 325 R C -0.117 176.145 176.300 -0.062 0.000 1.136 325 R CA 1.279 57.364 56.100 -0.026 0.000 0.948 325 R CB 0.261 30.571 30.300 0.018 0.000 0.845 325 R HN 0.158 nan 8.270 nan 0.000 0.430 326 D N 0.698 121.055 120.400 -0.071 0.000 2.438 326 D HA 0.095 4.735 4.640 -0.000 0.000 0.257 326 D C -0.928 175.292 176.300 -0.133 0.000 1.148 326 D CA -0.394 53.565 54.000 -0.069 0.000 0.902 326 D CB 1.458 42.250 40.800 -0.014 0.000 1.062 326 D HN -0.082 nan 8.370 nan 0.000 0.518 327 K N 1.127 121.378 120.400 -0.248 0.000 2.972 327 K HA -0.021 4.299 4.320 -0.000 0.000 0.257 327 K C -0.001 176.620 176.600 0.035 0.000 1.118 327 K CA 0.199 56.203 56.287 -0.471 0.000 1.142 327 K CB -0.317 31.926 32.500 -0.429 0.000 1.252 327 K HN 0.005 nan 8.250 nan 0.000 0.266 328 K N 1.797 122.291 120.400 0.155 0.000 2.253 328 K HA 0.220 4.540 4.320 -0.000 0.000 0.277 328 K C -1.006 175.800 176.600 0.343 0.000 1.053 328 K CA -0.708 55.709 56.287 0.217 0.000 0.892 328 K CB 0.342 32.893 32.500 0.086 0.000 1.102 328 K HN 0.234 nan 8.250 nan 0.000 0.469 329 Y N -0.052 120.269 120.300 0.035 0.000 2.715 329 Y HA 0.878 5.428 4.550 -0.000 0.000 0.331 329 Y C -0.140 175.660 175.900 -0.166 0.000 1.197 329 Y CA -1.456 56.569 58.100 -0.125 0.000 1.079 329 Y CB 0.965 39.219 38.460 -0.342 0.000 1.298 329 Y HN 0.502 nan 8.280 nan 0.000 0.477 330 G N -0.229 108.357 108.800 -0.357 0.000 2.550 330 G HA2 0.545 4.505 3.960 -0.000 0.000 0.293 330 G HA3 0.545 4.505 3.960 -0.000 0.000 0.293 330 G C -2.489 172.217 174.900 -0.323 0.000 1.402 330 G CA -1.067 43.807 45.100 -0.376 0.000 0.784 330 G HN 0.524 nan 8.290 nan 0.000 0.482 331 F N -0.680 119.288 119.950 0.031 0.000 2.523 331 F HA 0.574 5.101 4.527 -0.000 0.000 0.329 331 F C 0.335 176.167 175.800 0.054 0.000 1.061 331 F CA -0.614 57.452 58.000 0.109 0.000 0.967 331 F CB 2.428 41.488 39.000 0.100 0.000 1.218 331 F HN 0.502 nan 8.300 nan 0.000 0.480 332 c N 2.402 121.165 118.600 0.272 0.000 2.521 332 c HA 0.314 4.884 4.570 -0.000 0.000 0.291 332 c C -1.792 172.368 174.090 0.117 0.000 1.074 332 c CA -1.179 55.222 56.329 0.120 0.000 1.495 332 c CB 0.117 42.677 42.510 0.082 0.000 1.862 332 c HN 0.569 nan 8.230 nan 0.000 0.418 333 P HA 0.028 nan 4.420 nan 0.000 0.224 333 P C 0.260 177.545 177.300 -0.025 0.000 1.157 333 P CA 1.286 64.405 63.100 0.032 0.000 0.799 333 P CB 0.583 32.308 31.700 0.041 0.000 0.809 334 E N -2.126 118.069 120.200 -0.008 0.000 2.401 334 E HA 0.337 4.687 4.350 -0.000 0.000 0.280 334 E C -1.499 175.091 176.600 -0.017 0.000 1.039 334 E CA -0.577 55.817 56.400 -0.009 0.000 0.814 334 E CB 1.219 30.929 29.700 0.016 0.000 1.275 334 E HN -0.351 nan 8.360 nan 0.000 0.448 335 T N 1.546 116.084 114.554 -0.026 0.000 2.906 335 T HA 0.506 4.856 4.350 -0.000 0.000 0.302 335 T C -0.558 174.078 174.700 -0.107 0.000 1.002 335 T CA -0.339 61.710 62.100 -0.086 0.000 0.988 335 T CB 1.221 70.033 68.868 -0.094 0.000 0.972 335 T HN 0.565 nan 8.240 nan 0.000 0.447 336 A N 5.740 128.485 122.820 -0.125 0.000 2.505 336 A HA 0.389 4.709 4.320 -0.000 0.000 0.271 336 A C 0.680 178.164 177.584 -0.166 0.000 1.112 336 A CA -0.043 51.949 52.037 -0.075 0.000 0.781 336 A CB -0.208 18.788 19.000 -0.006 0.000 1.059 336 A HN 0.728 nan 8.150 nan 0.000 0.508 337 M N 2.927 122.467 119.600 -0.100 0.000 2.211 337 M HA 0.165 4.645 4.480 -0.000 0.000 0.356 337 M C 0.816 177.050 176.300 -0.110 0.000 1.216 337 M CA 0.259 55.493 55.300 -0.111 0.000 1.134 337 M CB 1.196 33.753 32.600 -0.072 0.000 1.564 337 M HN 0.816 nan 8.290 nan 0.000 0.463 338 S N 1.233 116.872 115.700 -0.103 0.000 2.694 338 S HA 0.125 4.594 4.470 -0.000 0.000 0.225 338 S C 0.623 175.180 174.600 -0.072 0.000 1.012 338 S CA 0.201 58.351 58.200 -0.083 0.000 0.896 338 S CB 0.561 63.726 63.200 -0.058 0.000 0.838 338 S HN 0.743 nan 8.310 nan 0.000 0.604 339 T N 1.946 116.459 114.554 -0.069 0.000 2.912 339 T HA 0.709 5.059 4.350 -0.000 0.000 0.288 339 T C -1.268 173.399 174.700 -0.055 0.000 1.030 339 T CA -0.380 61.682 62.100 -0.063 0.000 1.020 339 T CB 1.653 70.461 68.868 -0.100 0.000 1.056 339 T HN -0.030 nan 8.240 nan 0.000 0.480 340 V N 2.310 122.218 119.914 -0.010 0.000 2.656 340 V HA 0.802 4.922 4.120 -0.000 0.000 0.307 340 V C 0.811 176.933 176.094 0.047 0.000 1.051 340 V CA -0.049 62.266 62.300 0.025 0.000 0.893 340 V CB 1.100 32.966 31.823 0.072 0.000 0.999 340 V HN 1.298 nan 8.190 nan 0.000 0.426 341 G N 2.936 111.733 108.800 -0.005 0.000 2.633 341 G HA2 0.309 4.269 3.960 -0.000 0.000 0.263 341 G HA3 0.309 4.269 3.960 -0.000 0.000 0.263 341 G C 0.702 175.290 174.900 -0.521 0.000 1.310 341 G CA 0.131 45.192 45.100 -0.064 0.000 0.914 341 G HN 2.564 nan 8.290 nan 0.000 0.569 342 G N -1.523 106.715 108.800 -0.937 0.000 2.499 342 G HA2 0.123 4.083 3.960 -0.000 0.000 0.232 342 G HA3 0.123 4.083 3.960 -0.000 0.000 0.232 342 G C 0.648 174.843 174.900 -1.175 0.000 1.251 342 G CA 1.355 45.122 45.100 -2.221 0.000 0.917 342 G HN 2.432 nan 8.290 nan 0.000 0.580 343 N N -1.715 116.289 118.700 -1.161 0.000 2.557 343 N HA 0.142 4.882 4.740 -0.000 0.000 0.217 343 N C 1.882 177.163 175.510 -0.382 0.000 1.062 343 N CA 1.495 54.219 53.050 -0.543 0.000 0.863 343 N CB -0.497 37.770 38.487 -0.367 0.000 1.390 343 N HN 0.636 nan 8.380 nan 0.000 0.445 344 S N 0.488 115.948 115.700 -0.399 0.000 2.478 344 S HA -0.213 4.257 4.470 -0.000 0.000 0.256 344 S C -0.171 174.317 174.600 -0.187 0.000 1.003 344 S CA 1.251 59.304 58.200 -0.245 0.000 0.976 344 S CB -0.687 62.379 63.200 -0.224 0.000 0.751 344 S HN 0.546 nan 8.310 nan 0.000 0.513 345 E N -1.468 118.606 120.200 -0.209 0.000 2.340 345 E HA -0.201 4.149 4.350 -0.000 0.000 0.240 345 E C 0.764 177.297 176.600 -0.110 0.000 1.154 345 E CA 0.144 56.458 56.400 -0.143 0.000 0.717 345 E CB -1.731 27.904 29.700 -0.107 0.000 1.250 345 E HN 0.650 nan 8.360 nan 0.000 0.386 346 G N -1.541 107.183 108.800 -0.128 0.000 2.241 346 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 346 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 346 G C 0.520 175.374 174.900 -0.078 0.000 0.998 346 G CA 0.054 45.099 45.100 -0.092 0.000 0.621 346 G HN 1.144 nan 8.290 nan 0.000 0.519 347 A N 1.598 124.369 122.820 -0.082 0.000 2.561 347 A HA 0.549 4.869 4.320 -0.000 0.000 0.234 347 A C -1.273 176.268 177.584 -0.072 0.000 1.055 347 A CA 0.307 52.308 52.037 -0.059 0.000 0.756 347 A CB -0.000 18.962 19.000 -0.063 0.000 0.986 347 A HN 0.296 nan 8.150 nan 0.000 0.505 348 P HA 0.269 nan 4.420 nan 0.000 0.274 348 P C -0.471 176.765 177.300 -0.106 0.000 1.231 348 P CA -0.539 62.528 63.100 -0.055 0.000 0.790 348 P CB 0.257 31.950 31.700 -0.011 0.000 0.951 349 c N 1.222 119.719 118.600 -0.172 0.000 2.689 349 c HA 0.271 4.840 4.570 -0.000 0.000 0.409 349 c C 0.793 174.670 174.090 -0.355 0.000 1.293 349 c CA -0.557 55.546 56.329 -0.376 0.000 2.136 349 c CB -0.294 41.785 42.510 -0.720 0.000 2.719 349 c HN 0.302 nan 8.230 nan 0.000 0.644 350 V N 2.672 122.378 119.914 -0.347 0.000 2.370 350 V HA 0.479 4.599 4.120 -0.000 0.000 0.279 350 V C -0.544 175.468 176.094 -0.137 0.000 1.029 350 V CA 0.065 62.287 62.300 -0.130 0.000 0.870 350 V CB 0.675 32.507 31.823 0.015 0.000 0.984 350 V HN 0.677 nan 8.190 nan 0.000 0.451 351 F N 6.501 126.562 119.950 0.185 0.000 2.529 351 F HA 0.653 5.180 4.527 -0.000 0.000 0.320 351 F C -1.694 174.172 175.800 0.110 0.000 1.118 351 F CA -2.507 55.586 58.000 0.154 0.000 0.915 351 F CB 1.906 40.963 39.000 0.095 0.000 1.161 351 F HN 0.358 nan 8.300 nan 0.000 0.445 352 P HA 0.439 nan 4.420 nan 0.000 0.277 352 P C -1.221 176.277 177.300 0.329 0.000 1.271 352 P CA -0.231 63.054 63.100 0.309 0.000 0.795 352 P CB 1.128 32.896 31.700 0.114 0.000 1.101 353 F N -3.000 117.113 119.950 0.272 0.000 2.591 353 F HA 0.562 5.089 4.527 -0.000 0.000 0.309 353 F C -1.068 174.927 175.800 0.326 0.000 1.098 353 F CA -0.960 57.180 58.000 0.234 0.000 0.937 353 F CB 0.752 39.844 39.000 0.154 0.000 1.250 353 F HN 0.019 nan 8.300 nan 0.000 0.447 354 T N 4.707 119.619 114.554 0.596 0.000 2.738 354 T HA 0.346 4.696 4.350 -0.000 0.000 0.298 354 T C -1.149 174.034 174.700 0.806 0.000 0.962 354 T CA -0.044 62.355 62.100 0.499 0.000 0.972 354 T CB 0.088 69.135 68.868 0.298 0.000 0.928 354 T HN 0.524 nan 8.240 nan 0.000 0.474 355 F N 5.544 125.940 119.950 0.743 0.000 2.391 355 F HA 0.421 4.948 4.527 -0.000 0.000 0.359 355 F C 0.003 176.118 175.800 0.524 0.000 1.122 355 F CA -2.237 56.234 58.000 0.785 0.000 1.120 355 F CB 0.281 39.832 39.000 0.918 0.000 1.142 355 F HN 0.264 nan 8.300 nan 0.000 0.483 356 L N 7.023 128.273 121.223 0.045 0.000 3.009 356 L HA 0.064 4.404 4.340 -0.000 0.000 0.302 356 L C 1.046 177.753 176.870 -0.273 0.000 1.060 356 L CA 1.681 56.441 54.840 -0.134 0.000 0.941 356 L CB -0.655 41.340 42.059 -0.106 0.000 1.406 356 L HN 1.019 nan 8.230 nan 0.000 0.473 357 G N 2.697 111.451 108.800 -0.078 0.000 3.031 357 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.198 357 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.198 357 G C 0.151 175.036 174.900 -0.025 0.000 1.242 357 G CA 0.071 45.139 45.100 -0.054 0.000 0.878 357 G HN 0.734 nan 8.290 nan 0.000 0.493 358 N N -0.127 118.570 118.700 -0.006 0.000 3.039 358 N HA 0.415 5.155 4.740 -0.000 0.000 0.257 358 N C -1.256 174.114 175.510 -0.232 0.000 1.497 358 N CA -0.627 52.336 53.050 -0.144 0.000 0.861 358 N CB 1.588 39.906 38.487 -0.282 0.000 1.479 358 N HN 0.650 nan 8.380 nan 0.000 0.547 359 K N 0.095 120.281 120.400 -0.357 0.000 2.143 359 K HA 0.413 4.733 4.320 -0.000 0.000 0.272 359 K C -1.584 174.613 176.600 -0.672 0.000 1.001 359 K CA -0.251 55.840 56.287 -0.327 0.000 0.915 359 K CB 0.721 33.121 32.500 -0.167 0.000 1.047 359 K HN 0.513 nan 8.250 nan 0.000 0.458 360 Y N 1.168 121.231 120.300 -0.395 0.000 2.373 360 Y HA 0.150 4.700 4.550 -0.000 0.000 0.336 360 Y C 0.345 176.034 175.900 -0.352 0.000 0.979 360 Y CA -0.822 56.957 58.100 -0.535 0.000 1.080 360 Y CB 2.301 40.116 38.460 -1.075 0.000 1.190 360 Y HN 0.822 nan 8.280 nan 0.000 0.446 361 E N 1.112 121.220 120.200 -0.154 0.000 2.415 361 E HA 0.090 4.440 4.350 -0.000 0.000 0.197 361 E C 0.153 176.266 176.600 -0.811 0.000 1.007 361 E CA 0.355 56.602 56.400 -0.255 0.000 0.890 361 E CB 0.524 30.087 29.700 -0.228 0.000 0.891 361 E HN 0.524 nan 8.360 nan 0.000 0.496 362 S N -1.928 113.414 115.700 -0.597 0.000 2.740 362 S HA 0.469 4.939 4.470 -0.000 0.000 0.300 362 S C -0.287 174.212 174.600 -0.168 0.000 1.147 362 S CA -0.929 56.833 58.200 -0.730 0.000 0.871 362 S CB 0.800 63.748 63.200 -0.419 0.000 1.173 362 S HN 0.068 nan 8.310 nan 0.000 0.510 363 c N 1.953 120.522 118.600 -0.050 0.000 2.637 363 c HA 0.726 5.296 4.570 -0.000 0.000 0.418 363 c C 1.096 175.062 174.090 -0.207 0.000 1.319 363 c CA 0.006 56.322 56.329 -0.022 0.000 1.949 363 c CB -0.326 42.186 42.510 0.004 0.000 2.639 363 c HN 0.930 nan 8.230 nan 0.000 0.594 364 T N 0.004 114.290 114.554 -0.447 0.000 2.907 364 T HA 0.515 4.865 4.350 -0.000 0.000 0.290 364 T C 0.506 174.935 174.700 -0.452 0.000 1.066 364 T CA -0.116 61.713 62.100 -0.451 0.000 1.012 364 T CB 1.531 70.011 68.868 -0.646 0.000 1.184 364 T HN 0.786 nan 8.240 nan 0.000 0.522 365 S N 0.732 116.335 115.700 -0.161 0.000 2.593 365 S HA 0.491 4.961 4.470 -0.000 0.000 0.236 365 S C 0.790 175.496 174.600 0.177 0.000 0.991 365 S CA -0.036 58.200 58.200 0.060 0.000 0.963 365 S CB -0.286 62.950 63.200 0.059 0.000 0.865 365 S HN 1.060 nan 8.310 nan 0.000 0.488 366 A N 1.044 123.927 122.820 0.106 0.000 2.505 366 A HA 0.551 4.871 4.320 -0.000 0.000 0.271 366 A C 1.449 179.284 177.584 0.419 0.000 1.112 366 A CA 0.339 52.534 52.037 0.263 0.000 0.781 366 A CB -1.194 17.956 19.000 0.251 0.000 1.059 366 A HN 1.651 nan 8.150 nan 0.000 0.508 367 G N 2.621 111.687 108.800 0.443 0.000 2.192 367 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.193 367 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.193 367 G C 0.072 175.147 174.900 0.293 0.000 0.999 367 G CA -0.041 45.307 45.100 0.413 0.000 0.659 367 G HN 0.922 nan 8.290 nan 0.000 0.503 368 R N 0.072 120.726 120.500 0.256 0.000 2.621 368 R HA 0.693 5.033 4.340 -0.000 0.000 0.292 368 R C 0.569 176.937 176.300 0.112 0.000 0.969 368 R CA -0.114 56.091 56.100 0.176 0.000 0.887 368 R CB 1.848 32.243 30.300 0.157 0.000 1.180 368 R HN 0.062 nan 8.270 nan 0.000 0.450 369 S N 0.803 116.549 115.700 0.077 0.000 2.458 369 S HA -0.099 4.371 4.470 -0.000 0.000 0.223 369 S C 1.072 175.697 174.600 0.042 0.000 1.019 369 S CA 1.110 59.342 58.200 0.054 0.000 0.937 369 S CB 0.090 63.314 63.200 0.039 0.000 0.788 369 S HN 0.737 nan 8.310 nan 0.000 0.511 370 D N 0.792 121.217 120.400 0.042 0.000 2.371 370 D HA 0.112 4.752 4.640 -0.000 0.000 0.221 370 D C 1.202 177.510 176.300 0.013 0.000 0.986 370 D CA 0.845 54.858 54.000 0.022 0.000 0.899 370 D CB -1.106 39.703 40.800 0.015 0.000 0.902 370 D HN 0.404 nan 8.370 nan 0.000 0.530 371 G N 0.335 109.153 108.800 0.031 0.000 2.272 371 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.280 371 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.280 371 G C -0.137 174.769 174.900 0.010 0.000 1.067 371 G CA 0.107 45.223 45.100 0.026 0.000 0.902 371 G HN 0.460 nan 8.290 nan 0.000 0.500 372 K N -0.434 119.982 120.400 0.026 0.000 2.110 372 K HA 0.602 4.922 4.320 -0.000 0.000 0.263 372 K C 0.616 177.279 176.600 0.104 0.000 0.975 372 K CA -0.915 55.371 56.287 -0.001 0.000 0.895 372 K CB 0.659 33.088 32.500 -0.120 0.000 1.060 372 K HN 0.091 nan 8.250 nan 0.000 0.448 373 M N 3.720 123.369 119.600 0.081 0.000 2.108 373 M HA 0.260 4.740 4.480 -0.000 0.000 0.354 373 M C -0.547 175.903 176.300 0.250 0.000 1.229 373 M CA -0.306 55.043 55.300 0.081 0.000 1.081 373 M CB 0.029 32.635 32.600 0.009 0.000 1.606 373 M HN 0.659 nan 8.290 nan 0.000 0.467 374 W N 3.772 125.059 121.300 -0.022 0.000 2.967 374 W HA 0.797 5.457 4.660 -0.000 0.000 0.342 374 W C -1.412 175.018 176.519 -0.149 0.000 1.162 374 W CA -1.252 56.042 57.345 -0.085 0.000 1.085 374 W CB 0.964 30.177 29.460 -0.411 0.000 1.460 374 W HN 0.848 nan 8.180 nan 0.000 0.584 375 c N -0.321 118.214 118.600 -0.109 0.000 3.284 375 c HA 0.805 5.375 4.570 -0.000 0.000 0.338 375 c C -0.118 173.684 174.090 -0.480 0.000 1.237 375 c CA -0.702 55.298 56.329 -0.548 0.000 1.276 375 c CB 0.874 43.266 42.510 -0.197 0.000 1.601 375 c HN 1.095 nan 8.230 nan 0.000 0.494 376 A N 1.542 123.626 122.820 -1.227 0.000 2.363 376 A HA 0.634 4.953 4.320 -0.000 0.000 0.270 376 A C 1.191 178.583 177.584 -0.320 0.000 1.121 376 A CA 0.460 52.176 52.037 -0.536 0.000 0.800 376 A CB 0.428 19.061 19.000 -0.613 0.000 1.052 376 A HN 1.902 nan 8.150 nan 0.000 0.493 377 T N -0.615 113.867 114.554 -0.120 0.000 3.067 377 T HA 0.112 4.462 4.350 -0.000 0.000 0.257 377 T C 0.862 175.536 174.700 -0.043 0.000 1.105 377 T CA 1.108 63.144 62.100 -0.106 0.000 1.104 377 T CB -0.227 68.590 68.868 -0.086 0.000 0.925 377 T HN 0.690 nan 8.240 nan 0.000 0.498 378 T N -0.238 114.320 114.554 0.006 0.000 2.952 378 T HA 0.678 5.028 4.350 -0.000 0.000 0.286 378 T C 1.439 176.209 174.700 0.116 0.000 1.024 378 T CA -0.196 61.938 62.100 0.056 0.000 1.029 378 T CB 1.231 70.139 68.868 0.066 0.000 1.094 378 T HN 0.140 nan 8.240 nan 0.000 0.515 379 A N 2.662 125.565 122.820 0.138 0.000 2.014 379 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 379 A C 1.199 178.946 177.584 0.272 0.000 1.163 379 A CA 0.842 52.998 52.037 0.198 0.000 0.652 379 A CB -0.356 18.735 19.000 0.152 0.000 0.808 379 A HN 0.802 nan 8.150 nan 0.000 0.449 380 N N -1.076 117.766 118.700 0.236 0.000 2.623 380 N HA 0.234 4.973 4.740 -0.000 0.000 0.256 380 N C -0.211 175.477 175.510 0.296 0.000 1.045 380 N CA -0.348 52.868 53.050 0.278 0.000 0.863 380 N CB 0.766 39.362 38.487 0.182 0.000 1.182 380 N HN 0.316 nan 8.380 nan 0.000 0.523 381 Y N 3.304 123.799 120.300 0.324 0.000 2.256 381 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 381 Y C 1.499 177.554 175.900 0.257 0.000 1.155 381 Y CA 1.762 60.047 58.100 0.308 0.000 1.203 381 Y CB 0.298 39.049 38.460 0.484 0.000 0.980 381 Y HN 0.537 nan 8.280 nan 0.000 0.530 382 D N 0.049 120.633 120.400 0.308 0.000 2.097 382 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 382 D C 1.677 177.989 176.300 0.021 0.000 0.984 382 D CA 1.632 55.721 54.000 0.148 0.000 0.826 382 D CB -0.306 40.596 40.800 0.170 0.000 0.973 382 D HN 0.456 nan 8.370 nan 0.000 0.460 383 D N 1.065 121.495 120.400 0.051 0.000 2.097 383 D HA -0.062 4.578 4.640 -0.000 0.000 0.195 383 D C 0.148 176.431 176.300 -0.029 0.000 0.989 383 D CA 1.040 55.052 54.000 0.019 0.000 0.827 383 D CB 0.041 40.869 40.800 0.046 0.000 0.966 383 D HN 0.322 nan 8.370 nan 0.000 0.456 384 D N 0.305 120.676 120.400 -0.048 0.000 2.502 384 D HA 0.226 4.866 4.640 -0.000 0.000 0.249 384 D C -0.009 176.156 176.300 -0.226 0.000 1.092 384 D CA -0.410 53.538 54.000 -0.086 0.000 0.839 384 D CB 1.524 42.310 40.800 -0.023 0.000 1.264 384 D HN -0.087 nan 8.370 nan 0.000 0.511 385 R N 1.593 121.941 120.500 -0.254 0.000 4.792 385 R HA 0.125 4.465 4.340 -0.000 0.000 0.205 385 R C 0.010 176.288 176.300 -0.036 0.000 1.875 385 R CA 0.094 55.966 56.100 -0.380 0.000 1.588 385 R CB 0.053 30.232 30.300 -0.201 0.000 1.401 385 R HN 0.094 nan 8.270 nan 0.000 0.834 386 K N 2.105 122.528 120.400 0.039 0.000 2.358 386 K HA 0.319 4.639 4.320 -0.000 0.000 0.260 386 K C -0.714 176.053 176.600 0.278 0.000 0.956 386 K CA -0.597 55.753 56.287 0.105 0.000 0.834 386 K CB 1.495 33.996 32.500 0.002 0.000 1.102 386 K HN 0.230 nan 8.250 nan 0.000 0.431 387 W N 0.862 122.151 121.300 -0.018 0.000 3.003 387 W HA 0.757 5.417 4.660 -0.000 0.000 0.362 387 W C -1.009 175.388 176.519 -0.204 0.000 1.213 387 W CA -1.094 56.191 57.345 -0.100 0.000 1.157 387 W CB 0.717 30.050 29.460 -0.211 0.000 1.493 387 W HN 0.656 nan 8.180 nan 0.000 0.589 388 G N -0.179 108.586 108.800 -0.058 0.000 2.645 388 G HA2 0.624 4.584 3.960 -0.000 0.000 0.292 388 G HA3 0.624 4.584 3.960 -0.000 0.000 0.292 388 G C -2.649 172.234 174.900 -0.027 0.000 1.415 388 G CA -1.008 43.878 45.100 -0.357 0.000 0.785 388 G HN 0.214 nan 8.290 nan 0.000 0.483 389 F N 1.081 121.094 119.950 0.104 0.000 2.404 389 F HA 0.370 4.897 4.527 -0.000 0.000 0.358 389 F C 1.045 176.863 175.800 0.029 0.000 1.120 389 F CA -1.101 56.978 58.000 0.131 0.000 1.144 389 F CB 0.748 39.810 39.000 0.103 0.000 1.133 389 F HN 0.305 nan 8.300 nan 0.000 0.495 390 c N 6.047 124.775 118.600 0.214 0.000 2.638 390 c HA 0.136 4.706 4.570 -0.000 0.000 0.410 390 c C -1.745 172.369 174.090 0.039 0.000 1.404 390 c CA -1.239 55.137 56.329 0.079 0.000 1.651 390 c CB -1.000 41.543 42.510 0.056 0.000 2.495 390 c HN 0.507 nan 8.230 nan 0.000 0.606 391 P HA 0.024 nan 4.420 nan 0.000 0.261 391 P C 0.237 177.489 177.300 -0.079 0.000 1.173 391 P CA 0.692 63.760 63.100 -0.055 0.000 0.760 391 P CB 0.505 32.148 31.700 -0.095 0.000 0.783 392 D N 3.175 123.516 120.400 -0.099 0.000 2.358 392 D HA 0.009 4.648 4.640 -0.000 0.000 0.287 392 D C 0.929 177.140 176.300 -0.148 0.000 1.181 392 D CA 0.191 54.118 54.000 -0.122 0.000 1.103 392 D CB 0.110 40.818 40.800 -0.154 0.000 1.168 392 D HN 0.179 nan 8.370 nan 0.000 0.552 393 Q N -0.457 119.227 119.800 -0.192 0.000 2.212 393 Q HA 0.187 4.526 4.340 -0.000 0.000 0.199 393 Q C 1.125 176.942 176.000 -0.304 0.000 0.950 393 Q CA 1.008 56.680 55.803 -0.218 0.000 0.863 393 Q CB -0.542 28.062 28.738 -0.222 0.000 0.944 393 Q HN 0.764 nan 8.270 nan 0.000 0.465 394 G N 0.467 109.013 108.800 -0.423 0.000 2.804 394 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.230 394 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.230 394 G C -0.988 173.457 174.900 -0.759 0.000 1.386 394 G CA -0.229 44.557 45.100 -0.525 0.000 0.875 394 G HN 0.195 nan 8.290 nan 0.000 0.557 395 Y N -0.418 119.570 120.300 -0.521 0.000 2.457 395 Y HA 0.641 5.191 4.550 -0.000 0.000 0.333 395 Y C 0.991 176.760 175.900 -0.218 0.000 1.119 395 Y CA -0.215 57.554 58.100 -0.552 0.000 1.143 395 Y CB 2.055 39.878 38.460 -1.062 0.000 1.230 395 Y HN 0.687 nan 8.280 nan 0.000 0.469 396 S N 2.666 118.439 115.700 0.121 0.000 2.430 396 S HA 0.056 4.526 4.470 -0.000 0.000 0.282 396 S C 1.035 175.821 174.600 0.311 0.000 1.186 396 S CA -0.606 57.719 58.200 0.208 0.000 1.060 396 S CB -0.068 63.301 63.200 0.283 0.000 0.966 396 S HN 0.696 nan 8.310 nan 0.000 0.501 397 L N 7.332 128.761 121.223 0.342 0.000 2.042 397 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 397 L C 1.693 178.621 176.870 0.098 0.000 1.076 397 L CA 1.964 56.929 54.840 0.209 0.000 0.749 397 L CB -1.388 40.636 42.059 -0.058 0.000 0.893 397 L HN 0.852 nan 8.230 nan 0.000 0.432 398 F N -0.051 119.906 119.950 0.011 0.000 2.025 398 F HA -0.275 4.252 4.527 -0.000 0.000 0.297 398 F C 2.153 177.963 175.800 0.016 0.000 1.132 398 F CA 2.146 60.154 58.000 0.012 0.000 1.191 398 F CB -0.816 38.205 39.000 0.034 0.000 0.963 398 F HN 0.073 nan 8.300 nan 0.000 0.481 399 L N -0.180 120.830 121.223 -0.356 0.000 1.990 399 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 399 L C 2.401 179.135 176.870 -0.226 0.000 1.072 399 L CA 1.609 56.157 54.840 -0.487 0.000 0.755 399 L CB -1.171 40.858 42.059 -0.049 0.000 0.889 399 L HN 0.124 nan 8.230 nan 0.000 0.432 400 V N -0.001 119.921 119.914 0.014 0.000 2.295 400 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 400 V C 2.783 178.841 176.094 -0.060 0.000 1.049 400 V CA 1.771 64.079 62.300 0.014 0.000 1.024 400 V CB -1.135 30.770 31.823 0.137 0.000 0.648 400 V HN 0.473 nan 8.190 nan 0.000 0.447 401 A N 0.429 123.266 122.820 0.028 0.000 1.851 401 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 401 A C 2.512 179.828 177.584 -0.447 0.000 1.195 401 A CA 2.565 54.512 52.037 -0.150 0.000 0.622 401 A CB -1.172 17.875 19.000 0.078 0.000 0.831 401 A HN 0.628 nan 8.150 nan 0.000 0.444 402 A N -0.805 121.904 122.820 -0.186 0.000 1.909 402 A HA -0.350 3.970 4.320 -0.000 0.000 0.221 402 A C 2.041 179.774 177.584 0.249 0.000 1.223 402 A CA 2.613 54.623 52.037 -0.045 0.000 0.658 402 A CB -1.254 17.331 19.000 -0.691 0.000 0.831 402 A HN 0.870 nan 8.150 nan 0.000 0.462 403 H N -1.145 117.884 119.070 -0.068 0.000 2.253 403 H HA -0.162 4.394 4.556 -0.000 0.000 0.296 403 H C 2.403 177.728 175.328 -0.005 0.000 1.074 403 H CA 1.854 57.918 56.048 0.027 0.000 1.263 403 H CB -0.035 29.677 29.762 -0.084 0.000 1.363 403 H HN 0.424 nan 8.280 nan 0.000 0.489 404 Q N 0.008 119.860 119.800 0.088 0.000 2.096 404 Q HA -0.188 4.152 4.340 -0.000 0.000 0.208 404 Q C 2.302 178.296 176.000 -0.011 0.000 0.993 404 Q CA 1.529 57.302 55.803 -0.049 0.000 0.862 404 Q CB -0.702 27.713 28.738 -0.538 0.000 0.915 404 Q HN 0.492 nan 8.270 nan 0.000 0.416 405 F N 0.416 120.370 119.950 0.006 0.000 2.126 405 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 405 F C 2.499 178.094 175.800 -0.343 0.000 1.096 405 F CA 1.060 58.973 58.000 -0.145 0.000 1.255 405 F CB -1.433 37.371 39.000 -0.326 0.000 0.997 405 F HN 0.179 nan 8.300 nan 0.000 0.479 406 G N -0.733 107.862 108.800 -0.340 0.000 2.513 406 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 406 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 406 G C 1.689 176.338 174.900 -0.418 0.000 1.160 406 G CA 1.291 45.826 45.100 -0.942 0.000 0.767 406 G HN 0.361 nan 8.290 nan 0.000 0.571 407 H N 0.719 119.704 119.070 -0.142 0.000 2.353 407 H HA 0.007 4.562 4.556 -0.000 0.000 0.300 407 H C 2.921 178.227 175.328 -0.035 0.000 1.090 407 H CA 1.230 57.240 56.048 -0.063 0.000 1.327 407 H CB -0.427 29.331 29.762 -0.006 0.000 1.383 407 H HN 0.385 nan 8.280 nan 0.000 0.508 408 A N 0.534 123.461 122.820 0.179 0.000 2.178 408 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 408 A C 2.107 179.874 177.584 0.305 0.000 1.157 408 A CA 1.211 53.419 52.037 0.284 0.000 0.689 408 A CB -0.212 19.053 19.000 0.442 0.000 0.787 408 A HN 0.207 nan 8.150 nan 0.000 0.465 409 M N -2.721 116.961 119.600 0.136 0.000 2.461 409 M HA 0.242 4.722 4.480 -0.000 0.000 0.255 409 M C 1.459 177.783 176.300 0.040 0.000 1.137 409 M CA 1.086 56.510 55.300 0.207 0.000 1.086 409 M CB -0.289 32.420 32.600 0.181 0.000 1.356 409 M HN 0.691 nan 8.290 nan 0.000 0.487 410 G N 0.479 109.240 108.800 -0.064 0.000 2.370 410 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.174 410 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.174 410 G C -0.025 174.820 174.900 -0.093 0.000 1.002 410 G CA -0.615 44.425 45.100 -0.100 0.000 0.730 410 G HN 0.288 nan 8.290 nan 0.000 0.497 411 L N 1.568 122.708 121.223 -0.139 0.000 2.367 411 L HA 0.466 4.806 4.340 -0.000 0.000 0.275 411 L C 0.744 177.513 176.870 -0.169 0.000 1.129 411 L CA 0.053 54.788 54.840 -0.174 0.000 0.839 411 L CB 0.735 42.625 42.059 -0.281 0.000 1.133 411 L HN 0.234 nan 8.230 nan 0.000 0.453 412 E N 1.237 121.401 120.200 -0.060 0.000 2.284 412 E HA 0.317 4.667 4.350 -0.000 0.000 0.255 412 E C -0.582 176.108 176.600 0.150 0.000 1.052 412 E CA -0.859 55.591 56.400 0.084 0.000 0.904 412 E CB 0.931 30.667 29.700 0.060 0.000 1.217 412 E HN 0.516 nan 8.360 nan 0.000 0.438 413 H N 0.078 119.207 119.070 0.099 0.000 2.815 413 H HA 0.082 4.638 4.556 -0.000 0.000 0.350 413 H C -0.134 175.281 175.328 0.145 0.000 1.080 413 H CA -0.192 55.945 56.048 0.149 0.000 1.433 413 H CB 1.025 30.913 29.762 0.211 0.000 1.432 413 H HN 0.152 nan 8.280 nan 0.000 0.592 414 S N 1.843 117.658 115.700 0.193 0.000 2.462 414 S HA 0.039 4.509 4.470 -0.000 0.000 0.294 414 S C 0.977 175.523 174.600 -0.091 0.000 1.144 414 S CA -0.889 57.333 58.200 0.036 0.000 1.088 414 S CB 1.417 64.621 63.200 0.006 0.000 1.009 414 S HN 0.668 nan 8.310 nan 0.000 0.484 415 Q N 1.768 121.348 119.800 -0.367 0.000 2.224 415 Q HA -0.060 4.280 4.340 -0.000 0.000 0.203 415 Q C 0.081 175.923 176.000 -0.263 0.000 0.970 415 Q CA 0.576 55.995 55.803 -0.640 0.000 0.865 415 Q CB -0.259 28.029 28.738 -0.749 0.000 0.922 415 Q HN 0.728 nan 8.270 nan 0.000 0.445 416 D N 1.446 121.760 120.400 -0.145 0.000 2.412 416 D HA -0.013 4.627 4.640 -0.000 0.000 0.257 416 D C -1.837 174.455 176.300 -0.012 0.000 1.217 416 D CA -1.608 52.353 54.000 -0.064 0.000 0.897 416 D CB 1.313 42.089 40.800 -0.040 0.000 1.132 416 D HN -0.086 nan 8.370 nan 0.000 0.493 417 P HA -0.056 nan 4.420 nan 0.000 0.215 417 P C 1.331 178.665 177.300 0.055 0.000 1.157 417 P CA 1.291 64.427 63.100 0.060 0.000 0.863 417 P CB 0.076 31.813 31.700 0.062 0.000 0.787 418 G N 0.074 108.894 108.800 0.034 0.000 2.432 418 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.219 418 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.219 418 G C 0.632 175.570 174.900 0.062 0.000 1.135 418 G CA 0.493 45.615 45.100 0.037 0.000 0.767 418 G HN 0.482 nan 8.290 nan 0.000 0.550 419 A N 0.321 123.171 122.820 0.050 0.000 2.580 419 A HA 0.217 4.537 4.320 -0.000 0.000 0.244 419 A C 1.598 179.245 177.584 0.105 0.000 1.045 419 A CA 0.186 52.260 52.037 0.063 0.000 0.761 419 A CB 0.117 19.137 19.000 0.034 0.000 0.962 419 A HN 0.646 nan 8.150 nan 0.000 0.512 420 L N 3.056 124.377 121.223 0.165 0.000 2.137 420 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 420 L C 1.768 178.657 176.870 0.032 0.000 1.085 420 L CA 1.995 56.939 54.840 0.172 0.000 0.760 420 L CB -0.298 41.908 42.059 0.245 0.000 0.893 420 L HN 0.712 nan 8.230 nan 0.000 0.434 421 M N 0.203 119.759 119.600 -0.073 0.000 2.639 421 M HA 0.252 4.731 4.480 -0.000 0.000 0.220 421 M C 0.785 177.086 176.300 0.001 0.000 1.155 421 M CA 0.180 55.283 55.300 -0.328 0.000 1.003 421 M CB -1.825 30.610 32.600 -0.275 0.000 1.725 421 M HN 0.334 nan 8.290 nan 0.000 0.489 422 A N 1.276 124.166 122.820 0.117 0.000 2.425 422 A HA 0.343 4.663 4.320 -0.000 0.000 0.249 422 A C -1.362 176.290 177.584 0.113 0.000 1.084 422 A CA -0.965 51.158 52.037 0.143 0.000 0.781 422 A CB -0.091 18.990 19.000 0.136 0.000 1.019 422 A HN 0.187 nan 8.150 nan 0.000 0.490 423 P HA -0.108 nan 4.420 nan 0.000 0.213 423 P C 0.371 177.680 177.300 0.015 0.000 1.170 423 P CA 0.836 63.912 63.100 -0.040 0.000 0.898 423 P CB -0.122 31.733 31.700 0.258 0.000 0.787 424 I N -1.018 119.661 120.570 0.181 0.000 2.692 424 I HA -0.064 4.106 4.170 -0.000 0.000 0.284 424 I C 0.655 176.844 176.117 0.120 0.000 1.159 424 I CA -0.503 60.871 61.300 0.124 0.000 1.423 424 I CB -0.688 37.395 38.000 0.138 0.000 1.380 424 I HN -0.007 nan 8.210 nan 0.000 0.580 425 Y N 5.255 125.552 120.300 -0.004 0.000 2.319 425 Y HA 0.296 4.846 4.550 -0.000 0.000 0.328 425 Y C -0.142 175.801 175.900 0.072 0.000 1.133 425 Y CA 0.046 58.161 58.100 0.025 0.000 1.265 425 Y CB 0.928 39.419 38.460 0.051 0.000 1.218 425 Y HN 0.554 nan 8.280 nan 0.000 0.508 426 T N 7.138 121.315 114.554 -0.629 0.000 3.011 426 T HA 0.108 4.458 4.350 -0.000 0.000 0.303 426 T C -1.926 172.413 174.700 -0.601 0.000 0.997 426 T CA -0.475 61.319 62.100 -0.510 0.000 1.007 426 T CB 0.183 68.945 68.868 -0.176 0.000 1.017 426 T HN 0.461 nan 8.240 nan 0.000 0.443 427 Y N 4.288 124.223 120.300 -0.609 0.000 2.584 427 Y HA 0.361 4.911 4.550 -0.000 0.000 0.351 427 Y C 0.252 176.081 175.900 -0.118 0.000 1.030 427 Y CA -0.880 57.026 58.100 -0.323 0.000 1.332 427 Y CB -0.159 38.207 38.460 -0.157 0.000 1.148 427 Y HN 0.541 nan 8.280 nan 0.000 0.528 428 T N 6.599 121.002 114.554 -0.252 0.000 2.727 428 T HA 0.157 4.507 4.350 -0.000 0.000 0.298 428 T C 1.246 175.644 174.700 -0.503 0.000 0.942 428 T CA -0.955 60.981 62.100 -0.275 0.000 0.997 428 T CB 1.153 70.060 68.868 0.065 0.000 0.917 428 T HN 0.498 nan 8.240 nan 0.000 0.487 429 K N 2.337 122.333 120.400 -0.673 0.000 2.127 429 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 429 K C 0.395 176.934 176.600 -0.103 0.000 1.047 429 K CA 1.248 57.236 56.287 -0.499 0.000 0.927 429 K CB 0.034 32.375 32.500 -0.266 0.000 0.716 429 K HN 0.561 nan 8.250 nan 0.000 0.450 430 N N -0.279 118.402 118.700 -0.032 0.000 2.519 430 N HA 0.046 4.786 4.740 -0.000 0.000 0.286 430 N C -1.426 174.171 175.510 0.146 0.000 1.079 430 N CA -0.396 52.697 53.050 0.072 0.000 0.878 430 N CB 0.881 39.380 38.487 0.020 0.000 1.375 430 N HN -0.151 nan 8.380 nan 0.000 0.514 431 F N 3.278 123.295 119.950 0.112 0.000 2.506 431 F HA 0.288 4.815 4.527 -0.000 0.000 0.351 431 F C 0.508 176.348 175.800 0.067 0.000 1.136 431 F CA -0.042 58.033 58.000 0.125 0.000 1.298 431 F CB 0.577 39.762 39.000 0.308 0.000 1.145 431 F HN 0.316 nan 8.300 nan 0.000 0.593 432 R N 7.440 127.373 120.500 -0.945 0.000 2.518 432 R HA 0.272 4.612 4.340 -0.000 0.000 0.296 432 R C -2.167 173.442 176.300 -1.152 0.000 1.080 432 R CA -0.902 54.725 56.100 -0.788 0.000 0.922 432 R CB 1.029 31.115 30.300 -0.356 0.000 1.184 432 R HN 0.731 nan 8.270 nan 0.000 0.445 433 L N 4.087 124.746 121.223 -0.941 0.000 2.597 433 L HA 0.107 4.447 4.340 -0.000 0.000 0.271 433 L C 0.255 176.956 176.870 -0.282 0.000 1.157 433 L CA 0.880 55.374 54.840 -0.575 0.000 0.928 433 L CB 0.493 42.385 42.059 -0.279 0.000 1.216 433 L HN 0.732 nan 8.230 nan 0.000 0.481 434 S N 3.459 119.051 115.700 -0.179 0.000 2.558 434 S HA -0.047 4.423 4.470 -0.000 0.000 0.291 434 S C 1.110 175.685 174.600 -0.041 0.000 1.306 434 S CA 0.356 58.507 58.200 -0.082 0.000 1.056 434 S CB 0.771 63.963 63.200 -0.015 0.000 0.836 434 S HN 0.829 nan 8.310 nan 0.000 0.504 435 Q N 2.697 122.476 119.800 -0.035 0.000 2.077 435 Q HA -0.175 4.164 4.340 -0.000 0.000 0.206 435 Q C 1.550 177.555 176.000 0.010 0.000 0.989 435 Q CA 2.755 58.550 55.803 -0.013 0.000 0.853 435 Q CB -0.705 28.023 28.738 -0.016 0.000 0.907 435 Q HN 0.985 nan 8.270 nan 0.000 0.418 436 D N -0.588 119.816 120.400 0.007 0.000 2.158 436 D HA -0.194 4.446 4.640 -0.000 0.000 0.197 436 D C 1.047 177.374 176.300 0.045 0.000 0.995 436 D CA 1.702 55.711 54.000 0.016 0.000 0.846 436 D CB -0.139 40.664 40.800 0.004 0.000 0.941 436 D HN 0.382 nan 8.370 nan 0.000 0.456 437 D N -0.283 120.158 120.400 0.067 0.000 2.091 437 D HA -0.076 4.564 4.640 -0.000 0.000 0.199 437 D C 2.401 178.805 176.300 0.174 0.000 0.980 437 D CA 0.548 54.632 54.000 0.140 0.000 0.831 437 D CB -0.315 40.583 40.800 0.162 0.000 0.987 437 D HN 0.359 nan 8.370 nan 0.000 0.460 438 I N 1.485 122.126 120.570 0.117 0.000 2.151 438 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 438 I C 2.335 178.525 176.117 0.121 0.000 1.080 438 I CA 1.328 62.703 61.300 0.126 0.000 1.339 438 I CB -0.287 37.752 38.000 0.065 0.000 1.039 438 I HN -0.026 nan 8.210 nan 0.000 0.409 439 K N 0.837 121.285 120.400 0.080 0.000 2.032 439 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 439 K C 2.226 178.866 176.600 0.066 0.000 1.048 439 K CA 1.601 57.924 56.287 0.060 0.000 0.927 439 K CB -0.641 31.879 32.500 0.034 0.000 0.712 439 K HN 0.490 nan 8.250 nan 0.000 0.441 440 G N 1.983 110.830 108.800 0.078 0.000 2.511 440 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 440 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 440 G C 1.552 176.498 174.900 0.077 0.000 1.218 440 G CA 0.873 46.011 45.100 0.063 0.000 0.788 440 G HN 0.273 nan 8.290 nan 0.000 0.560 441 I N 0.262 120.937 120.570 0.175 0.000 2.286 441 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 441 I C 2.853 179.102 176.117 0.220 0.000 1.115 441 I CA 1.344 62.784 61.300 0.233 0.000 1.392 441 I CB -0.058 38.206 38.000 0.440 0.000 1.065 441 I HN 0.243 nan 8.210 nan 0.000 0.418 442 Q N -0.097 119.817 119.800 0.190 0.000 2.291 442 Q HA -0.254 4.086 4.340 -0.000 0.000 0.205 442 Q C 1.921 177.963 176.000 0.071 0.000 0.970 442 Q CA 1.431 57.328 55.803 0.156 0.000 0.876 442 Q CB -0.176 28.640 28.738 0.129 0.000 0.935 442 Q HN 0.624 nan 8.270 nan 0.000 0.455 443 E N 0.691 120.906 120.200 0.026 0.000 2.347 443 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 443 E C 1.598 178.142 176.600 -0.094 0.000 1.008 443 E CA 0.376 56.764 56.400 -0.021 0.000 0.852 443 E CB 0.200 29.887 29.700 -0.022 0.000 0.783 443 E HN 0.335 nan 8.360 nan 0.000 0.505 444 L N -0.788 120.321 121.223 -0.189 0.000 2.253 444 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 444 L C 1.272 177.771 176.870 -0.618 0.000 1.078 444 L CA 0.450 55.000 54.840 -0.483 0.000 0.805 444 L CB 0.037 41.653 42.059 -0.739 0.000 0.963 444 L HN 0.186 nan 8.230 nan 0.000 0.459 445 Y N -0.852 119.490 120.300 0.070 0.000 2.886 445 Y HA 0.554 5.104 4.550 -0.000 0.000 0.244 445 Y C 1.152 177.090 175.900 0.065 0.000 1.017 445 Y CA 0.163 58.307 58.100 0.074 0.000 1.389 445 Y CB -0.201 38.316 38.460 0.094 0.000 1.477 445 Y HN 0.026 nan 8.280 nan 0.000 0.466 446 G N -0.020 108.925 108.800 0.241 0.000 2.354 446 G HA2 0.351 4.311 3.960 -0.000 0.000 0.582 446 G HA3 0.351 4.311 3.960 -0.000 0.000 0.582 446 G C -1.090 173.898 174.900 0.146 0.000 1.316 446 G CA -0.817 44.373 45.100 0.150 0.000 0.995 446 G HN 0.556 nan 8.290 nan 0.000 0.573 447 A N -0.112 122.770 122.820 0.104 0.000 2.483 447 A HA 0.652 4.972 4.320 -0.000 0.000 0.238 447 A C 1.248 178.881 177.584 0.082 0.000 1.070 447 A CA 1.078 53.169 52.037 0.089 0.000 0.770 447 A CB -0.074 18.965 19.000 0.065 0.000 1.008 447 A HN 2.375 nan 8.150 nan 0.000 0.497 448 S N 1.802 117.548 115.700 0.077 0.000 2.548 448 S HA 0.431 4.901 4.470 -0.000 0.000 0.277 448 S C -2.648 171.981 174.600 0.048 0.000 1.315 448 S CA -1.172 57.066 58.200 0.063 0.000 1.050 448 S CB 0.356 63.597 63.200 0.068 0.000 0.918 448 S HN 0.462 nan 8.310 nan 0.000 0.497 449 P HA 0.307 nan 4.420 nan 0.000 0.263 449 P C -0.882 176.435 177.300 0.029 0.000 1.345 449 P CA 0.363 63.481 63.100 0.031 0.000 1.119 449 P CB -0.057 31.658 31.700 0.024 0.000 1.363 450 D N 0.000 120.416 120.400 0.027 0.000 6.856 450 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 450 D CA 0.000 54.016 54.000 0.026 0.000 0.868 450 D CB 0.000 40.818 40.800 0.029 0.000 0.688 450 D HN 0.000 nan 8.370 nan 0.000 0.683