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 2wk5_1_D DATA FIRST_RESID 34 DATA SEQUENCE KQLPELIRMK RDGGRLSEAD IRGFVAAVVN GSAQGAQIGA MLMAIRLRGM DATA SEQUENCE DLEETSVLTQ ALAQSGQQXE WPEAWRQQLV DKHSTGGVGD KVSLVLAPAL DATA SEQUENCE AACGCKVPMI SGRGLGHTGG TLDKLESIPG FNVIQSPEQM QVLLDQAGCC DATA SEQUENCE IVGQSEQLVP ADGILYAARD VTATVDSLPL ITASILSKKL VEGLSALVVD DATA SEQUENCE VKFGGAAVFP NQEQARELAK TLVGVGASLG LRVAAALTAM DKPLGRCVGH DATA SEQUENCE ALEVEEALLC MDGAGPPDLR DLVTTLGGAL LWLSGHAGTQ AQGAARVAAA DATA SEQUENCE LDDGSALGRF ERMLAAQGVD PGLARALCXG SPAERRQLLP RAREQEELLA DATA SEQUENCE PADGTVELVR ALPLALVLHE LGAGRSRAGE PLRLGVGAEL LVDVGQRLRR DATA SEQUENCE GTPWLRVHRD GPALSGPQSR ALQEALVLSD RAPFAAPSPF AELVLPP 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 34 K HA 0.000 nan 4.320 nan 0.000 0.191 34 K C 0.000 176.619 176.600 0.032 0.000 0.988 34 K CA 0.000 56.301 56.287 0.024 0.000 0.838 34 K CB 0.000 32.514 32.500 0.024 0.000 1.064 35 Q N 0.788 120.606 119.800 0.031 0.000 2.318 35 Q HA 0.480 4.820 4.340 0.000 0.000 0.222 35 Q C 1.086 177.117 176.000 0.051 0.000 1.003 35 Q CA -0.683 55.142 55.803 0.038 0.000 0.936 35 Q CB 1.156 29.912 28.738 0.030 0.000 1.204 35 Q HN 0.610 nan 8.270 nan 0.000 0.524 36 L N 2.590 123.854 121.223 0.068 0.000 1.994 36 L HA -0.117 4.223 4.340 0.000 0.000 0.208 36 L C -0.991 175.919 176.870 0.067 0.000 1.071 36 L CA 2.102 57.002 54.840 0.100 0.000 0.745 36 L CB -1.122 41.015 42.059 0.130 0.000 0.892 36 L HN 0.576 nan 8.230 nan 0.000 0.431 37 P HA -0.210 nan 4.420 nan 0.000 0.217 37 P C 1.373 178.682 177.300 0.016 0.000 1.151 37 P CA 1.428 64.547 63.100 0.031 0.000 0.849 37 P CB 0.092 31.808 31.700 0.027 0.000 0.787 38 E N -0.879 119.331 120.200 0.017 0.000 2.150 38 E HA -0.095 4.255 4.350 0.000 0.000 0.193 38 E C 1.868 178.467 176.600 -0.003 0.000 0.985 38 E CA 0.807 57.211 56.400 0.007 0.000 0.814 38 E CB -0.961 28.745 29.700 0.011 0.000 0.752 38 E HN 0.147 nan 8.360 nan 0.000 0.466 39 L N -0.063 121.160 121.223 0.001 0.000 2.027 39 L HA -0.133 4.207 4.340 0.000 0.000 0.206 39 L C 2.301 179.130 176.870 -0.069 0.000 1.074 39 L CA 0.963 55.788 54.840 -0.025 0.000 0.745 39 L CB -0.423 41.634 42.059 -0.003 0.000 0.898 39 L HN 0.205 nan 8.230 nan 0.000 0.433 40 I N -0.701 119.831 120.570 -0.064 0.000 2.163 40 I HA -0.338 3.832 4.170 0.000 0.000 0.243 40 I C 2.862 178.944 176.117 -0.058 0.000 1.085 40 I CA 1.241 62.490 61.300 -0.085 0.000 1.347 40 I CB -0.537 37.438 38.000 -0.043 0.000 1.044 40 I HN 0.294 nan 8.210 nan 0.000 0.408 41 R N 1.056 121.537 120.500 -0.032 0.000 2.096 41 R HA -0.203 4.137 4.340 0.000 0.000 0.240 41 R C 2.400 178.683 176.300 -0.028 0.000 1.139 41 R CA 1.841 57.927 56.100 -0.023 0.000 0.952 41 R CB -0.268 30.025 30.300 -0.012 0.000 0.854 41 R HN 0.334 nan 8.270 nan 0.000 0.436 42 M N 0.487 120.069 119.600 -0.030 0.000 2.110 42 M HA -0.268 4.212 4.480 0.000 0.000 0.257 42 M C 2.367 178.645 176.300 -0.037 0.000 1.071 42 M CA 1.795 57.077 55.300 -0.029 0.000 1.096 42 M CB -0.630 31.953 32.600 -0.029 0.000 1.300 42 M HN -0.007 nan 8.290 nan 0.000 0.411 43 K N 0.501 120.868 120.400 -0.056 0.000 2.097 43 K HA -0.145 4.175 4.320 0.000 0.000 0.206 43 K C 1.938 178.511 176.600 -0.045 0.000 1.049 43 K CA 1.373 57.624 56.287 -0.060 0.000 0.933 43 K CB -0.513 31.929 32.500 -0.098 0.000 0.717 43 K HN 0.322 nan 8.250 nan 0.000 0.442 44 R N 0.847 121.322 120.500 -0.042 0.000 2.139 44 R HA -0.140 4.200 4.340 0.000 0.000 0.243 44 R C -0.036 176.252 176.300 -0.021 0.000 1.145 44 R CA 1.879 57.961 56.100 -0.029 0.000 0.976 44 R CB -0.022 30.263 30.300 -0.024 0.000 0.866 44 R HN 0.060 nan 8.270 nan 0.000 0.449 45 D N -0.511 119.877 120.400 -0.020 0.000 2.538 45 D HA 0.158 4.798 4.640 0.000 0.000 0.234 45 D C 0.572 176.863 176.300 -0.015 0.000 1.191 45 D CA 0.661 54.652 54.000 -0.015 0.000 0.828 45 D CB 0.375 41.167 40.800 -0.013 0.000 0.981 45 D HN 0.453 nan 8.370 nan 0.000 0.490 46 G N 0.392 109.182 108.800 -0.017 0.000 2.233 46 G HA2 -0.234 3.727 3.960 0.000 0.000 0.270 46 G HA3 -0.234 3.727 3.960 0.000 0.000 0.270 46 G C 0.798 175.689 174.900 -0.015 0.000 1.011 46 G CA 0.262 45.353 45.100 -0.015 0.000 0.762 46 G HN 0.598 nan 8.290 nan 0.000 0.511 47 G N -1.246 107.543 108.800 -0.018 0.000 2.562 47 G HA2 0.611 4.571 3.960 0.000 0.000 0.275 47 G HA3 0.611 4.571 3.960 0.000 0.000 0.275 47 G C 0.351 175.240 174.900 -0.019 0.000 1.196 47 G CA -0.572 44.519 45.100 -0.016 0.000 0.908 47 G HN 0.501 nan 8.290 nan 0.000 0.524 48 R N -1.390 119.102 120.500 -0.014 0.000 2.527 48 R HA 0.685 5.025 4.340 0.000 0.000 0.243 48 R C -0.221 176.070 176.300 -0.016 0.000 1.206 48 R CA -0.558 55.534 56.100 -0.013 0.000 1.134 48 R CB 0.731 31.028 30.300 -0.005 0.000 1.347 48 R HN 0.329 nan 8.270 nan 0.000 0.580 49 L N -0.435 120.781 121.223 -0.012 0.000 2.327 49 L HA 0.475 4.815 4.340 0.000 0.000 0.258 49 L C -0.319 176.553 176.870 0.004 0.000 1.024 49 L CA -0.761 54.073 54.840 -0.010 0.000 0.825 49 L CB 2.257 44.305 42.059 -0.019 0.000 1.386 49 L HN 0.759 nan 8.230 nan 0.000 0.417 50 S N -1.630 114.076 115.700 0.011 0.000 2.739 50 S HA 0.343 4.813 4.470 0.000 0.000 0.306 50 S C 0.587 175.201 174.600 0.024 0.000 1.115 50 S CA -0.757 57.452 58.200 0.016 0.000 0.985 50 S CB 1.882 65.090 63.200 0.014 0.000 1.133 50 S HN 0.641 nan 8.310 nan 0.000 0.541 51 E N 0.508 120.721 120.200 0.022 0.000 2.136 51 E HA -0.260 4.090 4.350 0.000 0.000 0.202 51 E C 2.063 178.682 176.600 0.031 0.000 1.019 51 E CA 1.857 58.272 56.400 0.025 0.000 0.819 51 E CB -0.506 29.206 29.700 0.020 0.000 0.739 51 E HN 0.754 nan 8.360 nan 0.000 0.458 52 A N 0.960 123.797 122.820 0.029 0.000 1.903 52 A HA -0.116 4.204 4.320 0.000 0.000 0.213 52 A C 1.805 179.415 177.584 0.044 0.000 1.185 52 A CA 1.085 53.141 52.037 0.033 0.000 0.628 52 A CB -0.132 18.884 19.000 0.026 0.000 0.830 52 A HN 0.083 nan 8.150 nan 0.000 0.446 53 D N 0.540 120.964 120.400 0.041 0.000 2.092 53 D HA -0.164 4.476 4.640 0.000 0.000 0.193 53 D C 1.929 178.280 176.300 0.085 0.000 0.994 53 D CA 1.266 55.296 54.000 0.050 0.000 0.828 53 D CB -0.290 40.526 40.800 0.026 0.000 0.963 53 D HN 0.299 nan 8.370 nan 0.000 0.450 54 I N 0.843 121.458 120.570 0.075 0.000 2.127 54 I HA -0.212 3.958 4.170 0.000 0.000 0.241 54 I C 2.126 178.316 176.117 0.122 0.000 1.075 54 I CA 1.159 62.524 61.300 0.108 0.000 1.334 54 I CB -0.918 37.127 38.000 0.076 0.000 1.040 54 I HN 0.013 nan 8.210 nan 0.000 0.405 55 R N 0.412 120.960 120.500 0.079 0.000 2.357 55 R HA -0.033 4.307 4.340 0.000 0.000 0.202 55 R C 1.981 178.317 176.300 0.061 0.000 1.047 55 R CA 0.676 56.812 56.100 0.060 0.000 1.034 55 R CB -0.291 30.033 30.300 0.040 0.000 0.875 55 R HN 0.484 nan 8.270 nan 0.000 0.473 56 G N -0.191 108.664 108.800 0.091 0.000 2.727 56 G HA2 -0.171 3.789 3.960 0.000 0.000 0.203 56 G HA3 -0.171 3.789 3.960 0.000 0.000 0.203 56 G C 0.968 175.939 174.900 0.119 0.000 1.117 56 G CA -0.295 44.857 45.100 0.087 0.000 0.817 56 G HN 0.201 nan 8.290 nan 0.000 0.553 57 F N 1.963 121.921 119.950 0.013 0.000 2.171 57 F HA -0.051 4.476 4.527 0.000 0.000 0.300 57 F C 2.535 178.345 175.800 0.016 0.000 1.090 57 F CA 1.136 59.145 58.000 0.015 0.000 1.293 57 F CB -0.235 38.775 39.000 0.016 0.000 1.013 57 F HN -0.013 nan 8.300 nan 0.000 0.486 58 V N 0.581 120.483 119.914 -0.019 0.000 2.295 58 V HA -0.300 3.820 4.120 0.000 0.000 0.246 58 V C 2.789 178.806 176.094 -0.129 0.000 1.049 58 V CA 1.734 63.968 62.300 -0.111 0.000 1.024 58 V CB -1.659 30.167 31.823 0.005 0.000 0.648 58 V HN 0.472 nan 8.190 nan 0.000 0.447 59 A N 0.373 123.156 122.820 -0.061 0.000 1.869 59 A HA -0.268 4.052 4.320 0.000 0.000 0.218 59 A C 2.446 179.979 177.584 -0.084 0.000 1.203 59 A CA 2.716 54.722 52.037 -0.051 0.000 0.638 59 A CB -1.118 17.872 19.000 -0.017 0.000 0.831 59 A HN 0.640 nan 8.150 nan 0.000 0.450 60 A N -0.967 121.790 122.820 -0.103 0.000 2.024 60 A HA 0.018 4.338 4.320 0.000 0.000 0.220 60 A C 2.215 179.694 177.584 -0.175 0.000 1.164 60 A CA 1.887 53.855 52.037 -0.114 0.000 0.643 60 A CB -0.827 18.120 19.000 -0.089 0.000 0.806 60 A HN 0.441 nan 8.150 nan 0.000 0.451 61 V N -0.579 119.165 119.914 -0.282 0.000 2.283 61 V HA -0.204 3.916 4.120 0.000 0.000 0.243 61 V C 2.561 178.572 176.094 -0.139 0.000 1.039 61 V CA 1.859 63.999 62.300 -0.267 0.000 1.016 61 V CB -0.869 30.736 31.823 -0.363 0.000 0.650 61 V HN 0.371 nan 8.190 nan 0.000 0.449 62 V N 2.180 122.028 119.914 -0.111 0.000 2.255 62 V HA -0.306 3.814 4.120 0.000 0.000 0.247 62 V C 1.955 178.019 176.094 -0.050 0.000 1.051 62 V CA 2.623 64.884 62.300 -0.065 0.000 1.018 62 V CB -1.261 30.532 31.823 -0.050 0.000 0.641 62 V HN 0.940 nan 8.190 nan 0.000 0.445 63 N N -0.064 118.605 118.700 -0.050 0.000 2.398 63 N HA 0.206 4.946 4.740 0.000 0.000 0.188 63 N C 1.298 176.788 175.510 -0.034 0.000 1.122 63 N CA 0.703 53.732 53.050 -0.036 0.000 0.866 63 N CB 0.593 39.063 38.487 -0.029 0.000 0.970 63 N HN 0.500 nan 8.380 nan 0.000 0.462 64 G N 0.448 109.221 108.800 -0.045 0.000 2.162 64 G HA2 -0.395 3.565 3.960 0.000 0.000 0.260 64 G HA3 -0.395 3.565 3.960 0.000 0.000 0.260 64 G C 0.862 175.744 174.900 -0.030 0.000 0.976 64 G CA 0.515 45.594 45.100 -0.035 0.000 0.655 64 G HN 0.441 nan 8.290 nan 0.000 0.533 65 S N -0.119 115.560 115.700 -0.035 0.000 2.368 65 S HA 0.318 4.788 4.470 0.000 0.000 0.225 65 S C 1.756 176.346 174.600 -0.017 0.000 1.030 65 S CA 1.775 59.962 58.200 -0.021 0.000 0.999 65 S CB -0.263 62.925 63.200 -0.020 0.000 0.844 65 S HN 1.872 nan 8.310 nan 0.000 0.459 66 A N 1.710 124.504 122.820 -0.045 0.000 2.362 66 A HA 0.481 4.801 4.320 0.000 0.000 0.276 66 A C -0.015 177.559 177.584 -0.015 0.000 1.153 66 A CA -0.401 51.619 52.037 -0.029 0.000 0.813 66 A CB 0.226 19.153 19.000 -0.122 0.000 1.081 66 A HN 0.669 nan 8.150 nan 0.000 0.507 67 Q N 1.319 121.131 119.800 0.021 0.000 2.306 67 Q HA 0.361 4.701 4.340 0.000 0.000 0.241 67 Q C 1.620 177.642 176.000 0.037 0.000 0.948 67 Q CA 0.276 56.093 55.803 0.023 0.000 0.886 67 Q CB 1.124 29.879 28.738 0.028 0.000 1.227 67 Q HN 0.919 nan 8.270 nan 0.000 0.457 68 G N 1.375 110.193 108.800 0.030 0.000 2.672 68 G HA2 -0.397 3.563 3.960 0.000 0.000 0.218 68 G HA3 -0.397 3.563 3.960 0.000 0.000 0.218 68 G C 1.288 176.223 174.900 0.058 0.000 1.238 68 G CA 1.162 46.287 45.100 0.040 0.000 0.791 68 G HN 0.770 nan 8.290 nan 0.000 0.606 69 A N 0.059 122.908 122.820 0.049 0.000 2.042 69 A HA -0.206 4.114 4.320 0.000 0.000 0.222 69 A C 2.357 179.982 177.584 0.069 0.000 1.167 69 A CA 2.294 54.362 52.037 0.052 0.000 0.649 69 A CB -0.434 18.590 19.000 0.040 0.000 0.809 69 A HN 0.603 nan 8.150 nan 0.000 0.457 70 Q N -0.943 118.910 119.800 0.089 0.000 2.187 70 Q HA 0.042 4.382 4.340 0.000 0.000 0.199 70 Q C 1.970 178.092 176.000 0.205 0.000 0.957 70 Q CA 1.110 56.991 55.803 0.130 0.000 0.857 70 Q CB -0.186 28.641 28.738 0.147 0.000 0.929 70 Q HN 0.760 nan 8.270 nan 0.000 0.453 71 I N 0.427 121.119 120.570 0.204 0.000 2.252 71 I HA -0.158 4.012 4.170 0.000 0.000 0.245 71 I C 2.299 178.531 176.117 0.192 0.000 1.102 71 I CA 1.167 62.633 61.300 0.276 0.000 1.385 71 I CB -0.489 37.601 38.000 0.149 0.000 1.064 71 I HN 0.249 nan 8.210 nan 0.000 0.414 72 G N 0.461 109.330 108.800 0.115 0.000 2.404 72 G HA2 -0.191 3.769 3.960 0.000 0.000 0.215 72 G HA3 -0.191 3.769 3.960 0.000 0.000 0.215 72 G C 1.896 176.832 174.900 0.060 0.000 1.174 72 G CA 0.745 45.891 45.100 0.077 0.000 0.780 72 G HN 0.460 nan 8.290 nan 0.000 0.537 73 A N 0.386 123.241 122.820 0.058 0.000 1.917 73 A HA -0.131 4.189 4.320 0.000 0.000 0.219 73 A C 2.346 179.932 177.584 0.003 0.000 1.182 73 A CA 2.492 54.548 52.037 0.031 0.000 0.633 73 A CB -0.394 18.626 19.000 0.035 0.000 0.819 73 A HN 0.416 nan 8.150 nan 0.000 0.448 74 M N -0.396 119.207 119.600 0.004 0.000 2.098 74 M HA 0.063 4.543 4.480 0.000 0.000 0.262 74 M C 1.836 178.099 176.300 -0.061 0.000 1.072 74 M CA 1.497 56.728 55.300 -0.115 0.000 1.133 74 M CB -0.495 31.914 32.600 -0.319 0.000 1.344 74 M HN 0.337 nan 8.290 nan 0.000 0.414 75 L N -0.463 120.780 121.223 0.033 0.000 2.261 75 L HA -0.209 4.131 4.340 0.000 0.000 0.216 75 L C 2.328 179.210 176.870 0.020 0.000 1.114 75 L CA 0.994 55.860 54.840 0.044 0.000 0.777 75 L CB -0.622 41.484 42.059 0.079 0.000 0.910 75 L HN 0.480 nan 8.230 nan 0.000 0.440 76 M N -0.735 118.872 119.600 0.012 0.000 2.394 76 M HA 0.087 4.567 4.480 0.000 0.000 0.266 76 M C 2.148 178.445 176.300 -0.005 0.000 1.098 76 M CA 1.474 56.779 55.300 0.008 0.000 1.149 76 M CB -0.104 32.502 32.600 0.011 0.000 1.369 76 M HN 0.072 nan 8.290 nan 0.000 0.450 77 A N 0.296 123.102 122.820 -0.023 0.000 1.930 77 A HA -0.035 4.285 4.320 0.000 0.000 0.217 77 A C 2.113 179.678 177.584 -0.032 0.000 1.175 77 A CA 1.632 53.649 52.037 -0.034 0.000 0.627 77 A CB -0.982 17.983 19.000 -0.059 0.000 0.815 77 A HN 0.569 nan 8.150 nan 0.000 0.443 78 I N -1.460 119.089 120.570 -0.035 0.000 2.353 78 I HA -0.160 4.010 4.170 0.000 0.000 0.248 78 I C 2.748 178.867 176.117 0.004 0.000 1.119 78 I CA 0.719 62.006 61.300 -0.021 0.000 1.417 78 I CB -0.285 37.703 38.000 -0.019 0.000 1.078 78 I HN 0.239 nan 8.210 nan 0.000 0.421 79 R N 0.991 121.497 120.500 0.011 0.000 2.066 79 R HA -0.074 4.266 4.340 0.000 0.000 0.232 79 R C 2.190 178.501 176.300 0.018 0.000 1.131 79 R CA 1.429 57.544 56.100 0.025 0.000 0.955 79 R CB -0.390 29.926 30.300 0.027 0.000 0.851 79 R HN 0.358 nan 8.270 nan 0.000 0.432 80 L N -0.042 121.185 121.223 0.007 0.000 2.418 80 L HA 0.006 4.346 4.340 0.000 0.000 0.218 80 L C 1.550 178.419 176.870 -0.002 0.000 1.125 80 L CA 0.777 55.619 54.840 0.003 0.000 0.835 80 L CB 0.084 42.143 42.059 -0.001 0.000 0.953 80 L HN 0.088 nan 8.230 nan 0.000 0.454 81 R N -0.859 119.638 120.500 -0.004 0.000 2.541 81 R HA 0.252 4.592 4.340 0.000 0.000 0.332 81 R C 0.836 177.133 176.300 -0.004 0.000 0.951 81 R CA 0.418 56.514 56.100 -0.007 0.000 1.136 81 R CB 0.851 31.142 30.300 -0.014 0.000 1.449 81 R HN 0.203 nan 8.270 nan 0.000 0.531 82 G N 3.045 111.846 108.800 0.002 0.000 2.681 82 G HA2 -0.307 3.653 3.960 0.000 0.000 0.320 82 G HA3 -0.307 3.653 3.960 0.000 0.000 0.320 82 G C -0.011 174.891 174.900 0.003 0.000 1.339 82 G CA 0.634 45.740 45.100 0.010 0.000 0.916 82 G HN 0.276 nan 8.290 nan 0.000 0.559 83 M N -0.883 118.723 119.600 0.011 0.000 2.622 83 M HA 0.592 5.072 4.480 0.000 0.000 0.276 83 M C -0.959 175.350 176.300 0.014 0.000 1.265 83 M CA -0.876 54.428 55.300 0.008 0.000 0.850 83 M CB 2.118 34.721 32.600 0.006 0.000 1.720 83 M HN 0.672 nan 8.290 nan 0.000 0.465 84 D N 0.969 121.376 120.400 0.012 0.000 2.354 84 D HA 0.300 4.940 4.640 0.000 0.000 0.247 84 D C 0.806 177.118 176.300 0.020 0.000 1.138 84 D CA -0.599 53.409 54.000 0.015 0.000 0.958 84 D CB 0.838 41.645 40.800 0.010 0.000 1.144 84 D HN 0.772 nan 8.370 nan 0.000 0.458 85 L N -0.301 120.935 121.223 0.021 0.000 2.450 85 L HA -0.174 4.166 4.340 0.000 0.000 0.225 85 L C 1.774 178.658 176.870 0.023 0.000 1.145 85 L CA 1.124 55.978 54.840 0.024 0.000 0.801 85 L CB -0.500 41.572 42.059 0.022 0.000 0.924 85 L HN 0.413 nan 8.230 nan 0.000 0.447 86 E N -0.143 120.069 120.200 0.020 0.000 2.094 86 E HA -0.076 4.274 4.350 0.000 0.000 0.193 86 E C 1.899 178.512 176.600 0.022 0.000 0.950 86 E CA 0.427 56.839 56.400 0.019 0.000 0.842 86 E CB -0.246 29.464 29.700 0.015 0.000 0.816 86 E HN 0.454 nan 8.360 nan 0.000 0.465 87 E N 0.910 121.122 120.200 0.020 0.000 2.147 87 E HA -0.187 4.163 4.350 0.000 0.000 0.199 87 E C 1.957 178.575 176.600 0.030 0.000 1.005 87 E CA 1.907 58.320 56.400 0.022 0.000 0.810 87 E CB -0.205 29.504 29.700 0.015 0.000 0.736 87 E HN 0.205 nan 8.360 nan 0.000 0.460 88 T N 0.221 114.793 114.554 0.031 0.000 2.668 88 T HA -0.187 4.163 4.350 0.000 0.000 0.262 88 T C 2.049 176.771 174.700 0.037 0.000 1.045 88 T CA 1.413 63.535 62.100 0.037 0.000 1.152 88 T CB -0.433 68.458 68.868 0.038 0.000 0.864 88 T HN 0.132 nan 8.240 nan 0.000 0.419 89 S N 0.486 116.205 115.700 0.032 0.000 2.387 89 S HA -0.133 4.337 4.470 0.000 0.000 0.230 89 S C 2.120 176.739 174.600 0.030 0.000 1.035 89 S CA 1.169 59.387 58.200 0.029 0.000 1.014 89 S CB -0.606 62.609 63.200 0.025 0.000 0.836 89 S HN 0.276 nan 8.310 nan 0.000 0.466 90 V N 1.225 121.158 119.914 0.031 0.000 2.358 90 V HA -0.060 4.060 4.120 0.000 0.000 0.246 90 V C 2.377 178.496 176.094 0.042 0.000 1.047 90 V CA 1.687 64.007 62.300 0.033 0.000 1.035 90 V CB -0.554 31.288 31.823 0.032 0.000 0.658 90 V HN 0.478 nan 8.190 nan 0.000 0.452 91 L N 0.534 121.786 121.223 0.048 0.000 2.056 91 L HA -0.133 4.207 4.340 0.000 0.000 0.207 91 L C 2.842 179.746 176.870 0.057 0.000 1.078 91 L CA 2.719 57.597 54.840 0.062 0.000 0.749 91 L CB -0.871 41.231 42.059 0.071 0.000 0.901 91 L HN 0.609 nan 8.230 nan 0.000 0.433 92 T N -3.120 111.463 114.554 0.048 0.000 2.720 92 T HA -0.281 4.069 4.350 0.000 0.000 0.268 92 T C 1.796 176.516 174.700 0.034 0.000 1.037 92 T CA 1.788 63.913 62.100 0.042 0.000 1.144 92 T CB -0.504 68.385 68.868 0.036 0.000 0.864 92 T HN 0.502 nan 8.240 nan 0.000 0.444 93 Q N 1.160 120.979 119.800 0.032 0.000 2.020 93 Q HA 0.076 4.417 4.340 0.000 0.000 0.202 93 Q C 2.921 178.936 176.000 0.026 0.000 0.982 93 Q CA 1.628 57.447 55.803 0.026 0.000 0.838 93 Q CB -0.650 28.103 28.738 0.025 0.000 0.899 93 Q HN 0.730 nan 8.270 nan 0.000 0.423 94 A N 0.846 123.685 122.820 0.033 0.000 1.958 94 A HA -0.217 4.103 4.320 0.000 0.000 0.221 94 A C 2.057 179.658 177.584 0.028 0.000 1.178 94 A CA 1.405 53.462 52.037 0.033 0.000 0.642 94 A CB -0.774 18.255 19.000 0.048 0.000 0.816 94 A HN 0.315 nan 8.150 nan 0.000 0.453 95 L N -1.286 119.958 121.223 0.034 0.000 2.044 95 L HA -0.143 4.197 4.340 0.000 0.000 0.205 95 L C 3.170 180.050 176.870 0.018 0.000 1.075 95 L CA 0.966 55.823 54.840 0.028 0.000 0.747 95 L CB -0.748 41.335 42.059 0.040 0.000 0.903 95 L HN 0.450 nan 8.230 nan 0.000 0.435 96 A N 0.507 123.339 122.820 0.019 0.000 1.873 96 A HA -0.225 4.095 4.320 0.000 0.000 0.218 96 A C 1.432 179.021 177.584 0.009 0.000 1.193 96 A CA 1.475 53.521 52.037 0.014 0.000 0.629 96 A CB -0.808 18.203 19.000 0.017 0.000 0.826 96 A HN 0.630 nan 8.150 nan 0.000 0.447 97 Q N 0.077 119.883 119.800 0.009 0.000 2.678 97 Q HA 0.429 4.769 4.340 0.000 0.000 0.222 97 Q C -0.363 175.637 176.000 0.000 0.000 1.281 97 Q CA 0.394 56.199 55.803 0.004 0.000 0.994 97 Q CB -0.221 28.520 28.738 0.006 0.000 1.452 97 Q HN 0.485 nan 8.270 nan 0.000 0.570 98 S N -0.058 115.639 115.700 -0.004 0.000 2.690 98 S HA 0.512 4.982 4.470 0.000 0.000 0.227 98 S C -0.076 174.517 174.600 -0.013 0.000 0.750 98 S CA -0.201 57.993 58.200 -0.009 0.000 1.015 98 S CB 0.436 63.630 63.200 -0.009 0.000 1.556 98 S HN 0.840 nan 8.310 nan 0.000 0.487 99 G N 0.649 109.441 108.800 -0.015 0.000 2.316 99 G HA2 0.445 4.405 3.960 0.000 0.000 0.296 99 G HA3 0.445 4.405 3.960 0.000 0.000 0.296 99 G C -1.788 173.097 174.900 -0.026 0.000 1.399 99 G CA -0.892 44.197 45.100 -0.019 0.000 0.833 99 G HN 0.247 nan 8.290 nan 0.000 0.565 100 Q N 0.255 120.034 119.800 -0.035 0.000 2.308 100 Q HA 0.313 4.653 4.340 0.000 0.000 0.313 100 Q C 0.484 176.449 176.000 -0.058 0.000 1.075 100 Q CA 0.818 56.589 55.803 -0.053 0.000 0.995 100 Q CB 0.709 29.407 28.738 -0.066 0.000 1.107 100 Q HN 0.540 nan 8.270 nan 0.000 0.380 104 W N 3.681 124.985 121.300 0.007 0.000 2.719 104 W HA 0.648 5.308 4.660 0.000 0.000 0.352 104 W C -2.042 174.376 176.519 -0.169 0.000 1.085 104 W CA -2.198 55.139 57.345 -0.014 0.000 1.187 104 W CB 0.668 30.247 29.460 0.199 0.000 1.417 104 W HN 0.334 nan 8.180 nan 0.000 0.557 105 P HA 0.005 nan 4.420 nan 0.000 0.270 105 P C 0.954 178.121 177.300 -0.222 0.000 1.242 105 P CA 0.209 63.080 63.100 -0.381 0.000 0.768 105 P CB 0.787 31.998 31.700 -0.815 0.000 0.820 106 E N 3.530 123.683 120.200 -0.078 0.000 2.330 106 E HA -0.374 3.976 4.350 0.000 0.000 0.239 106 E C 1.775 178.405 176.600 0.051 0.000 1.097 106 E CA 2.589 58.992 56.400 0.005 0.000 1.031 106 E CB -0.695 29.000 29.700 -0.009 0.000 0.885 106 E HN 0.565 nan 8.360 nan 0.000 0.479 107 A N -0.108 122.719 122.820 0.012 0.000 2.148 107 A HA -0.189 4.131 4.320 0.000 0.000 0.222 107 A C 1.488 179.279 177.584 0.345 0.000 1.161 107 A CA 1.468 53.581 52.037 0.127 0.000 0.662 107 A CB -0.782 18.283 19.000 0.108 0.000 0.799 107 A HN 0.350 nan 8.150 nan 0.000 0.466 108 W N -1.094 120.233 121.300 0.044 0.000 3.211 108 W HA 0.258 4.918 4.660 0.000 0.000 0.292 108 W C 1.782 178.297 176.519 -0.007 0.000 1.268 108 W CA -0.389 56.961 57.345 0.008 0.000 1.702 108 W CB -0.559 28.902 29.460 0.002 0.000 1.092 108 W HN 0.238 nan 8.180 nan 0.000 0.643 109 R N 0.675 121.315 120.500 0.234 0.000 2.154 109 R HA -0.196 4.144 4.340 0.000 0.000 0.248 109 R C 2.000 178.356 176.300 0.093 0.000 1.155 109 R CA 1.555 57.741 56.100 0.144 0.000 0.979 109 R CB -0.331 30.037 30.300 0.115 0.000 0.869 109 R HN 0.050 nan 8.270 nan 0.000 0.452 110 Q N -0.694 119.170 119.800 0.108 0.000 2.391 110 Q HA 0.075 4.415 4.340 0.000 0.000 0.211 110 Q C 1.345 177.420 176.000 0.124 0.000 0.908 110 Q CA 0.750 56.611 55.803 0.097 0.000 0.920 110 Q CB 0.447 29.279 28.738 0.156 0.000 1.056 110 Q HN 0.515 nan 8.270 nan 0.000 0.523 111 Q N 0.188 120.056 119.800 0.113 0.000 2.444 111 Q HA 0.140 4.480 4.340 0.000 0.000 0.206 111 Q C -0.019 175.951 176.000 -0.051 0.000 0.948 111 Q CA 0.089 55.932 55.803 0.067 0.000 0.946 111 Q CB 0.303 29.021 28.738 -0.032 0.000 1.027 111 Q HN 0.216 nan 8.270 nan 0.000 0.513 112 L N 2.273 123.455 121.223 -0.069 0.000 2.282 112 L HA 0.231 4.571 4.340 0.000 0.000 0.287 112 L C -0.076 176.730 176.870 -0.107 0.000 1.075 112 L CA -0.597 54.149 54.840 -0.158 0.000 0.839 112 L CB 0.276 42.209 42.059 -0.210 0.000 1.219 112 L HN -0.074 nan 8.230 nan 0.000 0.434 113 V N -0.676 119.177 119.914 -0.101 0.000 3.119 113 V HA 0.863 4.983 4.120 0.000 0.000 0.311 113 V C -1.189 174.874 176.094 -0.053 0.000 1.259 113 V CA -0.559 61.703 62.300 -0.064 0.000 1.067 113 V CB 2.463 34.258 31.823 -0.047 0.000 1.123 113 V HN 0.589 nan 8.190 nan 0.000 0.463 114 D N -0.697 119.692 120.400 -0.019 0.000 2.983 114 D HA 0.398 5.038 4.640 0.000 0.000 0.269 114 D C -1.679 174.645 176.300 0.041 0.000 1.121 114 D CA -0.193 53.812 54.000 0.009 0.000 0.724 114 D CB 1.782 42.587 40.800 0.009 0.000 1.381 114 D HN 1.200 nan 8.370 nan 0.000 0.442 115 K N 0.703 121.143 120.400 0.068 0.000 2.395 115 K HA 0.825 5.145 4.320 0.000 0.000 0.247 115 K C -1.631 175.067 176.600 0.163 0.000 0.973 115 K CA -0.526 55.817 56.287 0.095 0.000 0.828 115 K CB 1.761 34.300 32.500 0.066 0.000 1.272 115 K HN 0.392 nan 8.250 nan 0.000 0.439 116 H N -0.703 118.382 119.070 0.025 0.000 2.856 116 H HA 0.463 5.019 4.556 0.000 0.000 0.355 116 H C -1.543 173.799 175.328 0.024 0.000 1.079 116 H CA -0.354 55.708 56.048 0.023 0.000 1.240 116 H CB 2.013 31.791 29.762 0.025 0.000 1.701 116 H HN 0.775 nan 8.280 nan 0.000 0.527 117 S N 1.499 117.074 115.700 -0.208 0.000 2.578 117 S HA 0.164 4.634 4.470 0.000 0.000 0.283 117 S C 1.103 175.647 174.600 -0.094 0.000 1.195 117 S CA 0.080 58.212 58.200 -0.113 0.000 1.050 117 S CB 0.723 63.847 63.200 -0.127 0.000 1.012 117 S HN 0.805 nan 8.310 nan 0.000 0.511 118 T N 0.802 115.329 114.554 -0.045 0.000 3.160 118 T HA 0.413 4.763 4.350 0.000 0.000 0.257 118 T C 0.996 175.637 174.700 -0.098 0.000 1.147 118 T CA 0.302 62.368 62.100 -0.056 0.000 1.064 118 T CB -0.848 67.974 68.868 -0.077 0.000 0.949 118 T HN 1.713 nan 8.240 nan 0.000 0.526 119 G N -0.968 107.770 108.800 -0.105 0.000 3.367 119 G HA2 0.437 4.397 3.960 0.000 0.000 0.686 119 G HA3 0.437 4.397 3.960 0.000 0.000 0.686 119 G C -0.267 174.547 174.900 -0.143 0.000 1.146 119 G CA -0.600 44.423 45.100 -0.127 0.000 0.913 119 G HN 0.933 nan 8.290 nan 0.000 0.554 120 G N -1.160 107.558 108.800 -0.137 0.000 2.947 120 G HA2 0.862 4.822 3.960 0.000 0.000 0.293 120 G HA3 0.862 4.822 3.960 0.000 0.000 0.293 120 G C -1.130 173.699 174.900 -0.118 0.000 1.243 120 G CA 0.094 45.117 45.100 -0.128 0.000 0.802 120 G HN 1.505 nan 8.290 nan 0.000 0.560 121 V N 1.030 120.892 119.914 -0.086 0.000 2.334 121 V HA 0.597 4.717 4.120 0.000 0.000 0.281 121 V C 0.969 177.024 176.094 -0.066 0.000 1.016 121 V CA 0.644 62.905 62.300 -0.066 0.000 0.832 121 V CB 0.405 32.210 31.823 -0.030 0.000 0.999 121 V HN 2.113 nan 8.190 nan 0.000 0.439 122 G N 3.949 112.701 108.800 -0.080 0.000 2.225 122 G HA2 -0.210 3.750 3.960 0.000 0.000 0.264 122 G HA3 -0.210 3.750 3.960 0.000 0.000 0.264 122 G C 0.164 175.018 174.900 -0.077 0.000 1.060 122 G CA 0.216 45.267 45.100 -0.082 0.000 0.833 122 G HN 0.772 nan 8.290 nan 0.000 0.498 123 D N 0.853 121.203 120.400 -0.082 0.000 3.008 123 D HA 0.118 4.758 4.640 0.000 0.000 0.242 123 D C 2.106 178.359 176.300 -0.078 0.000 1.222 123 D CA 0.067 54.021 54.000 -0.077 0.000 0.883 123 D CB -0.282 40.468 40.800 -0.083 0.000 1.110 123 D HN 0.694 nan 8.370 nan 0.000 0.455 124 K N -0.844 119.509 120.400 -0.079 0.000 2.640 124 K HA -0.079 4.241 4.320 0.000 0.000 0.193 124 K C 1.553 178.102 176.600 -0.085 0.000 1.036 124 K CA 0.176 56.413 56.287 -0.085 0.000 0.962 124 K CB -0.113 32.334 32.500 -0.088 0.000 0.791 124 K HN 0.061 nan 8.250 nan 0.000 0.491 125 V N 1.702 121.573 119.914 -0.072 0.000 2.231 125 V HA -0.350 3.770 4.120 0.000 0.000 0.250 125 V C 2.256 178.310 176.094 -0.067 0.000 1.058 125 V CA 2.300 64.562 62.300 -0.063 0.000 1.022 125 V CB -0.782 31.015 31.823 -0.043 0.000 0.640 125 V HN 0.434 nan 8.190 nan 0.000 0.445 126 S N 0.362 116.025 115.700 -0.061 0.000 2.381 126 S HA -0.262 4.208 4.470 0.000 0.000 0.230 126 S C 1.850 176.419 174.600 -0.052 0.000 1.052 126 S CA 2.113 60.285 58.200 -0.047 0.000 1.068 126 S CB -0.664 62.507 63.200 -0.049 0.000 0.918 126 S HN 0.523 nan 8.310 nan 0.000 0.448 127 L N 0.706 121.881 121.223 -0.080 0.000 2.263 127 L HA -0.119 4.221 4.340 0.000 0.000 0.216 127 L C 1.846 178.581 176.870 -0.225 0.000 1.111 127 L CA 0.761 55.528 54.840 -0.123 0.000 0.773 127 L CB -0.604 41.363 42.059 -0.154 0.000 0.906 127 L HN 0.252 nan 8.230 nan 0.000 0.439 128 V N -1.871 117.939 119.914 -0.173 0.000 2.996 128 V HA -0.043 4.077 4.120 0.000 0.000 0.235 128 V C 1.973 178.007 176.094 -0.100 0.000 1.205 128 V CA 0.088 62.278 62.300 -0.183 0.000 1.225 128 V CB 0.027 31.751 31.823 -0.165 0.000 0.995 128 V HN 0.196 nan 8.190 nan 0.000 0.484 129 L N 1.410 122.592 121.223 -0.069 0.000 2.043 129 L HA -0.209 4.131 4.340 0.000 0.000 0.212 129 L C 2.445 179.301 176.870 -0.025 0.000 1.075 129 L CA 2.794 57.610 54.840 -0.040 0.000 0.752 129 L CB -0.974 41.069 42.059 -0.026 0.000 0.891 129 L HN 0.373 nan 8.230 nan 0.000 0.432 130 A N 0.850 123.660 122.820 -0.016 0.000 1.834 130 A HA -0.157 4.163 4.320 0.000 0.000 0.216 130 A C 0.026 177.618 177.584 0.013 0.000 1.203 130 A CA 1.843 53.884 52.037 0.007 0.000 0.621 130 A CB -2.054 16.968 19.000 0.037 0.000 0.841 130 A HN 0.386 nan 8.150 nan 0.000 0.446 131 P HA -0.139 nan 4.420 nan 0.000 0.216 131 P C 1.718 179.027 177.300 0.015 0.000 1.150 131 P CA 2.009 65.146 63.100 0.061 0.000 0.843 131 P CB -0.152 31.625 31.700 0.129 0.000 0.787 132 A N -0.208 122.603 122.820 -0.014 0.000 1.851 132 A HA -0.210 4.110 4.320 0.000 0.000 0.216 132 A C 2.228 179.803 177.584 -0.015 0.000 1.195 132 A CA 1.664 53.689 52.037 -0.020 0.000 0.622 132 A CB -1.755 17.225 19.000 -0.033 0.000 0.831 132 A HN 0.109 nan 8.150 nan 0.000 0.444 133 L N -0.897 120.317 121.223 -0.014 0.000 2.189 133 L HA -0.264 4.076 4.340 0.000 0.000 0.214 133 L C 2.950 179.804 176.870 -0.028 0.000 1.097 133 L CA 0.990 55.822 54.840 -0.013 0.000 0.764 133 L CB -0.451 41.602 42.059 -0.010 0.000 0.900 133 L HN 0.521 nan 8.230 nan 0.000 0.436 134 A N -0.478 122.322 122.820 -0.033 0.000 1.970 134 A HA 0.009 4.329 4.320 0.000 0.000 0.216 134 A C 2.400 179.955 177.584 -0.048 0.000 1.170 134 A CA 1.221 53.225 52.037 -0.056 0.000 0.645 134 A CB -0.378 18.595 19.000 -0.046 0.000 0.816 134 A HN 0.378 nan 8.150 nan 0.000 0.447 135 A N -1.753 121.050 122.820 -0.027 0.000 2.167 135 A HA 0.029 4.349 4.320 0.000 0.000 0.214 135 A C 1.695 179.262 177.584 -0.029 0.000 1.151 135 A CA 1.199 53.222 52.037 -0.023 0.000 0.735 135 A CB -0.779 18.214 19.000 -0.010 0.000 0.802 135 A HN 0.529 nan 8.150 nan 0.000 0.467 136 C N -1.232 118.050 119.300 -0.030 0.000 2.754 136 C HA 0.475 4.935 4.460 0.000 0.000 0.276 136 C C 1.931 176.889 174.990 -0.053 0.000 1.264 136 C CA 0.254 59.255 59.018 -0.028 0.000 1.700 136 C CB -0.999 26.738 27.740 -0.006 0.000 1.885 136 C HN 0.977 nan 8.230 nan 0.000 0.607 137 G N -0.237 108.522 108.800 -0.069 0.000 2.175 137 G HA2 -0.227 3.733 3.960 0.000 0.000 0.244 137 G HA3 -0.227 3.733 3.960 0.000 0.000 0.244 137 G C 0.017 174.850 174.900 -0.111 0.000 0.982 137 G CA 0.111 45.150 45.100 -0.102 0.000 0.641 137 G HN 0.499 nan 8.290 nan 0.000 0.527 138 C N 0.916 120.170 119.300 -0.077 0.000 2.330 138 C HA 0.680 5.140 4.460 0.000 0.000 0.344 138 C C 0.552 175.453 174.990 -0.149 0.000 1.273 138 C CA -0.939 58.039 59.018 -0.067 0.000 1.879 138 C CB 1.160 28.900 27.740 -0.001 0.000 2.376 138 C HN 0.384 nan 8.230 nan 0.000 0.534 139 K N 2.173 122.436 120.400 -0.229 0.000 2.285 139 K HA 0.462 4.783 4.320 0.000 0.000 0.286 139 K C -0.687 175.741 176.600 -0.287 0.000 1.072 139 K CA 0.030 56.104 56.287 -0.355 0.000 0.913 139 K CB 0.524 32.673 32.500 -0.586 0.000 1.067 139 K HN 0.504 nan 8.250 nan 0.000 0.479 140 V N 5.679 125.457 119.914 -0.227 0.000 2.284 140 V HA 0.324 4.444 4.120 0.000 0.000 0.274 140 V C -2.132 173.879 176.094 -0.138 0.000 1.023 140 V CA -1.591 60.615 62.300 -0.157 0.000 0.808 140 V CB 1.212 32.990 31.823 -0.074 0.000 1.035 140 V HN 0.670 nan 8.190 nan 0.000 0.445 141 P HA 0.240 nan 4.420 nan 0.000 0.214 141 P C -0.120 177.191 177.300 0.019 0.000 1.849 141 P CA -0.351 62.699 63.100 -0.083 0.000 1.022 141 P CB 0.596 32.166 31.700 -0.216 0.000 1.912 142 M N 3.339 122.962 119.600 0.038 0.000 2.251 142 M HA 0.212 4.692 4.480 0.000 0.000 0.346 142 M C -0.784 175.575 176.300 0.098 0.000 1.499 142 M CA 0.119 55.464 55.300 0.075 0.000 1.128 142 M CB -0.167 32.483 32.600 0.084 0.000 1.809 142 M HN 0.051 nan 8.290 nan 0.000 0.464 143 I N 5.613 126.237 120.570 0.090 0.000 2.312 143 I HA 0.375 4.545 4.170 0.000 0.000 0.290 143 I C -0.410 175.769 176.117 0.104 0.000 1.008 143 I CA -0.412 60.933 61.300 0.076 0.000 1.226 143 I CB 1.166 39.192 38.000 0.043 0.000 1.371 143 I HN 0.732 nan 8.210 nan 0.000 0.468 144 S N 3.389 119.151 115.700 0.104 0.000 2.540 144 S HA 0.747 5.217 4.470 0.000 0.000 0.275 144 S C -0.053 174.527 174.600 -0.033 0.000 1.123 144 S CA -0.874 57.422 58.200 0.161 0.000 0.907 144 S CB 1.662 64.947 63.200 0.142 0.000 1.081 144 S HN 0.717 nan 8.310 nan 0.000 0.476 145 G N 1.496 110.189 108.800 -0.179 0.000 2.529 145 G HA2 0.466 4.427 3.960 0.000 0.000 0.277 145 G HA3 0.466 4.427 3.960 0.000 0.000 0.277 145 G C 0.041 174.865 174.900 -0.127 0.000 1.383 145 G CA -0.740 44.042 45.100 -0.531 0.000 1.050 145 G HN 0.796 nan 8.290 nan 0.000 0.526 146 R N -1.478 119.048 120.500 0.044 0.000 2.917 146 R HA 0.479 4.819 4.340 0.000 0.000 0.220 146 R C 0.794 177.270 176.300 0.293 0.000 1.485 146 R CA -0.371 55.837 56.100 0.181 0.000 1.037 146 R CB -0.042 30.355 30.300 0.161 0.000 1.929 146 R HN 0.595 nan 8.270 nan 0.000 0.526 147 G N 0.937 109.860 108.800 0.206 0.000 2.265 147 G HA2 0.198 4.158 3.960 0.000 0.000 0.240 147 G HA3 0.198 4.158 3.960 0.000 0.000 0.240 147 G C -0.879 174.097 174.900 0.127 0.000 1.270 147 G CA 0.006 45.202 45.100 0.159 0.000 0.901 147 G HN 0.150 nan 8.290 nan 0.000 0.507 148 L N 3.487 124.722 121.223 0.020 0.000 2.417 148 L HA 0.590 4.930 4.340 0.000 0.000 0.259 148 L C 0.906 177.706 176.870 -0.118 0.000 1.023 148 L CA 1.144 55.893 54.840 -0.151 0.000 0.901 148 L CB 0.658 42.555 42.059 -0.271 0.000 1.227 148 L HN 1.243 nan 8.230 nan 0.000 0.454 149 G N 3.127 111.892 108.800 -0.060 0.000 3.487 149 G HA2 -0.321 3.639 3.960 0.000 0.000 0.295 149 G HA3 -0.321 3.639 3.960 0.000 0.000 0.295 149 G C 0.514 175.433 174.900 0.031 0.000 1.454 149 G CA 0.445 45.545 45.100 -0.001 0.000 1.039 149 G HN 1.173 nan 8.290 nan 0.000 0.624 150 H N 1.117 120.133 119.070 -0.091 0.000 2.865 150 H HA 0.479 5.035 4.556 0.000 0.000 0.247 150 H C 0.575 175.880 175.328 -0.040 0.000 1.181 150 H CA 1.165 57.152 56.048 -0.101 0.000 0.975 150 H CB -0.576 29.102 29.762 -0.140 0.000 1.899 150 H HN 0.977 nan 8.280 nan 0.000 0.651 151 T N -1.824 112.556 114.554 -0.289 0.000 2.948 151 T HA 0.657 5.007 4.350 0.000 0.000 0.285 151 T C 0.797 175.451 174.700 -0.076 0.000 1.019 151 T CA -0.387 61.575 62.100 -0.229 0.000 1.013 151 T CB 2.282 71.003 68.868 -0.245 0.000 1.117 151 T HN 0.331 nan 8.240 nan 0.000 0.533 152 G N -1.143 107.620 108.800 -0.062 0.000 2.528 152 G HA2 0.568 4.528 3.960 0.000 0.000 0.289 152 G HA3 0.568 4.528 3.960 0.000 0.000 0.289 152 G C -0.065 174.848 174.900 0.023 0.000 1.192 152 G CA -0.750 44.343 45.100 -0.013 0.000 0.921 152 G HN 1.053 nan 8.290 nan 0.000 0.512 153 G N -1.151 107.698 108.800 0.080 0.000 2.557 153 G HA2 0.435 4.395 3.960 0.000 0.000 0.310 153 G HA3 0.435 4.395 3.960 0.000 0.000 0.310 153 G C 0.971 175.900 174.900 0.048 0.000 1.328 153 G CA 0.558 45.709 45.100 0.084 0.000 0.945 153 G HN 0.931 nan 8.290 nan 0.000 0.494 154 T N 1.464 116.017 114.554 -0.002 0.000 2.802 154 T HA -0.195 4.155 4.350 0.000 0.000 0.269 154 T C 2.101 176.785 174.700 -0.027 0.000 1.062 154 T CA 1.108 63.191 62.100 -0.028 0.000 1.133 154 T CB -0.250 68.590 68.868 -0.047 0.000 0.852 154 T HN 0.275 nan 8.240 nan 0.000 0.485 155 L N 0.829 122.050 121.223 -0.003 0.000 2.027 155 L HA -0.041 4.300 4.340 0.000 0.000 0.206 155 L C 2.756 179.622 176.870 -0.006 0.000 1.074 155 L CA 1.772 56.606 54.840 -0.009 0.000 0.745 155 L CB -0.577 41.492 42.059 0.017 0.000 0.898 155 L HN 0.274 nan 8.230 nan 0.000 0.433 156 D N -0.013 120.413 120.400 0.044 0.000 2.218 156 D HA -0.144 4.496 4.640 0.000 0.000 0.204 156 D C 2.079 178.442 176.300 0.105 0.000 0.976 156 D CA 0.794 54.816 54.000 0.035 0.000 0.853 156 D CB -0.001 40.827 40.800 0.047 0.000 0.939 156 D HN 0.270 nan 8.370 nan 0.000 0.481 157 K N 0.914 121.394 120.400 0.133 0.000 1.985 157 K HA -0.048 4.272 4.320 0.000 0.000 0.210 157 K C 2.480 179.066 176.600 -0.023 0.000 1.047 157 K CA 0.375 56.723 56.287 0.102 0.000 0.932 157 K CB -0.800 31.705 32.500 0.008 0.000 0.716 157 K HN 0.244 nan 8.250 nan 0.000 0.439 158 L N 1.077 122.203 121.223 -0.161 0.000 2.127 158 L HA -0.174 4.166 4.340 0.000 0.000 0.211 158 L C 2.217 178.950 176.870 -0.229 0.000 1.089 158 L CA 1.042 55.645 54.840 -0.395 0.000 0.757 158 L CB -0.421 41.072 42.059 -0.944 0.000 0.899 158 L HN 0.177 nan 8.230 nan 0.000 0.434 159 E N -0.337 119.809 120.200 -0.090 0.000 2.455 159 E HA -0.148 4.202 4.350 0.000 0.000 0.202 159 E C 2.126 178.730 176.600 0.006 0.000 1.045 159 E CA 0.660 57.060 56.400 0.001 0.000 0.872 159 E CB 0.082 29.777 29.700 -0.007 0.000 0.792 159 E HN 0.310 nan 8.360 nan 0.000 0.542 160 S N -0.027 115.672 115.700 -0.003 0.000 2.338 160 S HA -0.043 4.427 4.470 0.000 0.000 0.218 160 S C 0.649 175.266 174.600 0.028 0.000 1.032 160 S CA 0.354 58.565 58.200 0.018 0.000 0.999 160 S CB -0.023 63.199 63.200 0.037 0.000 0.905 160 S HN 0.228 nan 8.310 nan 0.000 0.439 161 I N 4.560 125.149 120.570 0.032 0.000 2.907 161 I HA 0.044 4.214 4.170 0.000 0.000 0.285 161 I C -2.312 173.857 176.117 0.086 0.000 1.189 161 I CA -2.281 59.056 61.300 0.061 0.000 1.376 161 I CB -1.199 36.850 38.000 0.082 0.000 1.420 161 I HN 0.102 nan 8.210 nan 0.000 0.544 162 P HA 0.146 nan 4.420 nan 0.000 0.266 162 P C 0.854 178.188 177.300 0.056 0.000 1.215 162 P CA 0.675 63.806 63.100 0.050 0.000 0.763 162 P CB 1.288 33.004 31.700 0.026 0.000 0.806 163 G N 3.656 112.493 108.800 0.063 0.000 2.491 163 G HA2 -0.245 3.715 3.960 0.000 0.000 0.203 163 G HA3 -0.245 3.715 3.960 0.000 0.000 0.203 163 G C -0.066 174.860 174.900 0.042 0.000 1.052 163 G CA -0.468 44.652 45.100 0.034 0.000 0.675 163 G HN 0.491 nan 8.290 nan 0.000 0.504 164 F N 2.976 122.908 119.950 -0.030 0.000 2.635 164 F HA 0.430 4.957 4.527 0.000 0.000 0.379 164 F C 0.459 176.250 175.800 -0.015 0.000 1.094 164 F CA 0.616 58.598 58.000 -0.029 0.000 1.300 164 F CB 0.547 39.532 39.000 -0.024 0.000 1.035 164 F HN 0.222 nan 8.300 nan 0.000 0.581 165 N N 4.774 123.314 118.700 -0.267 0.000 2.448 165 N HA 0.197 4.937 4.740 0.000 0.000 0.279 165 N C 0.310 175.819 175.510 -0.002 0.000 1.025 165 N CA -0.329 52.684 53.050 -0.061 0.000 0.898 165 N CB 1.728 40.137 38.487 -0.130 0.000 1.303 165 N HN 0.524 nan 8.380 nan 0.000 0.495 166 V N 1.420 121.462 119.914 0.213 0.000 3.306 166 V HA 0.286 4.406 4.120 0.000 0.000 0.264 166 V C 0.432 176.590 176.094 0.107 0.000 1.149 166 V CA 0.687 63.130 62.300 0.238 0.000 1.143 166 V CB -0.590 31.358 31.823 0.208 0.000 0.767 166 V HN 0.408 nan 8.190 nan 0.000 0.476 167 I N 2.630 123.233 120.570 0.054 0.000 2.297 167 I HA 0.582 4.752 4.170 0.000 0.000 0.291 167 I C -0.083 176.040 176.117 0.009 0.000 1.033 167 I CA -0.035 61.283 61.300 0.030 0.000 1.253 167 I CB 0.972 38.984 38.000 0.020 0.000 1.396 167 I HN 0.183 nan 8.210 nan 0.000 0.476 168 Q N 3.818 123.629 119.800 0.019 0.000 2.397 168 Q HA 0.584 4.924 4.340 0.000 0.000 0.275 168 Q C -0.549 175.463 176.000 0.021 0.000 1.090 168 Q CA -0.759 55.051 55.803 0.012 0.000 0.809 168 Q CB 2.567 31.316 28.738 0.018 0.000 1.362 168 Q HN 0.719 nan 8.270 nan 0.000 0.431 169 S N -0.124 115.583 115.700 0.011 0.000 2.616 169 S HA 0.393 4.863 4.470 0.000 0.000 0.277 169 S C -1.998 172.604 174.600 0.003 0.000 1.234 169 S CA -1.184 57.017 58.200 0.002 0.000 1.028 169 S CB 1.337 64.531 63.200 -0.010 0.000 0.988 169 S HN 0.269 nan 8.310 nan 0.000 0.522 170 P HA -0.132 nan 4.420 nan 0.000 0.222 170 P C 0.517 177.763 177.300 -0.090 0.000 1.139 170 P CA 1.299 64.345 63.100 -0.090 0.000 0.790 170 P CB 0.104 31.725 31.700 -0.131 0.000 0.757 171 E N -1.150 119.028 120.200 -0.037 0.000 2.083 171 E HA -0.016 4.334 4.350 0.000 0.000 0.193 171 E C 2.018 178.641 176.600 0.039 0.000 0.950 171 E CA 0.710 57.101 56.400 -0.014 0.000 0.849 171 E CB -0.971 28.717 29.700 -0.020 0.000 0.827 171 E HN 0.221 nan 8.360 nan 0.000 0.465 172 Q N -0.057 119.762 119.800 0.031 0.000 2.325 172 Q HA -0.138 4.202 4.340 0.000 0.000 0.211 172 Q C 1.854 177.906 176.000 0.086 0.000 0.988 172 Q CA 1.136 56.965 55.803 0.043 0.000 0.887 172 Q CB -0.191 28.555 28.738 0.014 0.000 0.915 172 Q HN 0.287 nan 8.270 nan 0.000 0.440 173 M N -0.178 119.497 119.600 0.126 0.000 2.558 173 M HA -0.121 4.360 4.480 0.000 0.000 0.255 173 M C 2.119 178.646 176.300 0.377 0.000 1.113 173 M CA 0.809 56.245 55.300 0.228 0.000 1.097 173 M CB 0.151 32.923 32.600 0.287 0.000 1.426 173 M HN 0.229 nan 8.290 nan 0.000 0.488 174 Q N 0.101 120.099 119.800 0.329 0.000 2.163 174 Q HA -0.091 4.249 4.340 0.000 0.000 0.198 174 Q C 1.637 177.888 176.000 0.419 0.000 0.954 174 Q CA 1.183 57.276 55.803 0.484 0.000 0.851 174 Q CB 0.206 29.107 28.738 0.272 0.000 0.928 174 Q HN 0.318 nan 8.270 nan 0.000 0.459 175 V N 1.191 121.245 119.914 0.234 0.000 2.427 175 V HA -0.240 3.880 4.120 0.000 0.000 0.248 175 V C 2.299 178.470 176.094 0.128 0.000 1.051 175 V CA 1.058 63.458 62.300 0.167 0.000 1.048 175 V CB -0.510 31.368 31.823 0.091 0.000 0.666 175 V HN 0.308 nan 8.190 nan 0.000 0.456 176 L N -0.413 120.873 121.223 0.105 0.000 2.042 176 L HA -0.160 4.180 4.340 0.000 0.000 0.210 176 L C 2.165 179.031 176.870 -0.006 0.000 1.076 176 L CA 1.871 56.736 54.840 0.042 0.000 0.749 176 L CB -0.832 41.254 42.059 0.044 0.000 0.893 176 L HN 0.260 nan 8.230 nan 0.000 0.432 177 L N -1.135 120.076 121.223 -0.019 0.000 2.552 177 L HA -0.095 4.245 4.340 0.000 0.000 0.227 177 L C 1.330 178.001 176.870 -0.331 0.000 1.146 177 L CA 0.730 55.389 54.840 -0.303 0.000 0.858 177 L CB -0.398 41.286 42.059 -0.626 0.000 0.969 177 L HN 0.334 nan 8.230 nan 0.000 0.451 178 D N -0.802 119.606 120.400 0.014 0.000 2.440 178 D HA -0.010 4.630 4.640 0.000 0.000 0.216 178 D C 1.349 177.684 176.300 0.059 0.000 1.150 178 D CA 0.251 54.330 54.000 0.131 0.000 0.832 178 D CB 0.957 41.963 40.800 0.344 0.000 0.992 178 D HN 0.224 nan 8.370 nan 0.000 0.502 179 Q N -1.109 118.696 119.800 0.007 0.000 2.237 179 Q HA 0.313 4.653 4.340 0.000 0.000 0.254 179 Q C 0.896 176.882 176.000 -0.023 0.000 0.771 179 Q CA 0.440 56.244 55.803 0.002 0.000 0.958 179 Q CB 0.854 29.599 28.738 0.011 0.000 1.202 179 Q HN 0.075 nan 8.270 nan 0.000 0.492 180 A N -1.535 121.259 122.820 -0.044 0.000 2.140 180 A HA 0.609 4.929 4.320 0.000 0.000 0.199 180 A C 1.448 178.987 177.584 -0.074 0.000 1.416 180 A CA 0.802 52.813 52.037 -0.043 0.000 1.018 180 A CB 0.301 19.285 19.000 -0.027 0.000 1.117 180 A HN 0.567 nan 8.150 nan 0.000 0.480 181 G N -1.124 107.592 108.800 -0.139 0.000 2.225 181 G HA2 -0.262 3.698 3.960 0.000 0.000 0.254 181 G HA3 -0.262 3.698 3.960 0.000 0.000 0.254 181 G C 0.557 175.346 174.900 -0.185 0.000 0.988 181 G CA 0.632 45.604 45.100 -0.214 0.000 0.625 181 G HN 2.025 nan 8.290 nan 0.000 0.527 182 C N -1.109 118.129 119.300 -0.102 0.000 3.239 182 C HA 0.913 5.373 4.460 0.000 0.000 0.317 182 C C 0.156 175.147 174.990 0.002 0.000 1.310 182 C CA -0.796 58.188 59.018 -0.057 0.000 1.371 182 C CB 1.361 29.096 27.740 -0.008 0.000 1.714 182 C HN 1.907 nan 8.230 nan 0.000 0.473 183 C N 0.874 120.194 119.300 0.033 0.000 3.171 183 C HA 0.820 5.280 4.460 0.000 0.000 0.336 183 C C -1.172 173.896 174.990 0.131 0.000 1.198 183 C CA -0.605 58.468 59.018 0.092 0.000 1.319 183 C CB 0.227 28.013 27.740 0.077 0.000 1.682 183 C HN 1.055 nan 8.230 nan 0.000 0.497 184 I N 3.580 124.280 120.570 0.216 0.000 2.448 184 I HA 0.573 4.743 4.170 0.000 0.000 0.281 184 I C 0.148 176.412 176.117 0.244 0.000 1.027 184 I CA -0.302 61.121 61.300 0.204 0.000 1.111 184 I CB 1.497 39.603 38.000 0.177 0.000 1.236 184 I HN 0.862 nan 8.210 nan 0.000 0.452 185 V N 2.811 122.822 119.914 0.163 0.000 3.181 185 V HA 1.026 5.146 4.120 0.000 0.000 0.314 185 V C -0.007 176.143 176.094 0.093 0.000 1.173 185 V CA -0.534 61.850 62.300 0.141 0.000 1.052 185 V CB 1.749 33.639 31.823 0.112 0.000 1.123 185 V HN 0.616 nan 8.190 nan 0.000 0.454 186 G N -0.267 108.573 108.800 0.067 0.000 2.569 186 G HA2 0.599 4.559 3.960 0.000 0.000 0.300 186 G HA3 0.599 4.559 3.960 0.000 0.000 0.300 186 G C -1.274 173.629 174.900 0.005 0.000 1.269 186 G CA -0.996 44.115 45.100 0.019 0.000 0.959 186 G HN 0.871 nan 8.290 nan 0.000 0.478 187 Q N 0.464 120.247 119.800 -0.029 0.000 2.263 187 Q HA 0.344 4.684 4.340 0.000 0.000 0.289 187 Q C 0.805 176.802 176.000 -0.005 0.000 1.061 187 Q CA 0.104 55.895 55.803 -0.021 0.000 0.927 187 Q CB 0.711 29.425 28.738 -0.040 0.000 1.154 187 Q HN 0.618 nan 8.270 nan 0.000 0.378 188 S N 0.657 116.358 115.700 0.002 0.000 2.713 188 S HA 0.285 4.755 4.470 0.000 0.000 0.296 188 S C 0.729 175.328 174.600 -0.002 0.000 1.114 188 S CA -0.801 57.401 58.200 0.003 0.000 0.997 188 S CB 0.952 64.156 63.200 0.006 0.000 1.249 188 S HN 0.748 nan 8.310 nan 0.000 0.534 189 E N -0.224 119.974 120.200 -0.003 0.000 2.347 189 E HA -0.078 4.272 4.350 0.000 0.000 0.196 189 E C 1.794 178.388 176.600 -0.010 0.000 1.008 189 E CA 0.681 57.077 56.400 -0.007 0.000 0.852 189 E CB -0.067 29.629 29.700 -0.007 0.000 0.783 189 E HN 0.654 nan 8.360 nan 0.000 0.505 190 Q N -0.452 119.342 119.800 -0.010 0.000 2.287 190 Q HA 0.156 4.496 4.340 0.000 0.000 0.201 190 Q C 0.272 176.264 176.000 -0.013 0.000 0.946 190 Q CA 0.255 56.049 55.803 -0.015 0.000 0.868 190 Q CB 0.474 29.202 28.738 -0.017 0.000 0.967 190 Q HN 0.182 nan 8.270 nan 0.000 0.516 191 L N 2.576 123.797 121.223 -0.005 0.000 2.283 191 L HA 0.132 4.472 4.340 0.000 0.000 0.287 191 L C 0.359 177.228 176.870 -0.002 0.000 1.073 191 L CA -0.622 54.219 54.840 0.001 0.000 0.822 191 L CB 1.104 43.172 42.059 0.015 0.000 1.186 191 L HN 0.123 nan 8.230 nan 0.000 0.436 192 V N 1.959 121.871 119.914 -0.002 0.000 5.176 192 V HA -0.239 3.881 4.120 0.000 0.000 0.252 192 V C -1.532 174.560 176.094 -0.003 0.000 0.665 192 V CA 0.298 62.597 62.300 -0.002 0.000 0.654 192 V CB -1.915 29.909 31.823 0.001 0.000 0.440 192 V HN 0.724 nan 8.190 nan 0.000 0.806 193 P HA -0.312 nan 4.420 nan 0.000 0.222 193 P C 2.001 179.298 177.300 -0.005 0.000 1.157 193 P CA 3.305 66.400 63.100 -0.008 0.000 0.905 193 P CB -0.029 31.662 31.700 -0.014 0.000 0.792 194 A N -0.272 122.542 122.820 -0.010 0.000 1.837 194 A HA -0.331 3.989 4.320 0.000 0.000 0.216 194 A C 2.250 179.846 177.584 0.020 0.000 1.210 194 A CA 2.673 54.703 52.037 -0.012 0.000 0.632 194 A CB -1.801 17.190 19.000 -0.015 0.000 0.843 194 A HN 0.255 nan 8.150 nan 0.000 0.448 195 D N -1.076 119.346 120.400 0.036 0.000 2.157 195 D HA -0.138 4.502 4.640 0.000 0.000 0.191 195 D C 1.918 178.276 176.300 0.095 0.000 1.004 195 D CA 2.482 56.525 54.000 0.072 0.000 0.854 195 D CB -0.621 40.211 40.800 0.053 0.000 0.936 195 D HN 0.372 nan 8.370 nan 0.000 0.446 196 G N 0.354 109.178 108.800 0.040 0.000 2.513 196 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 196 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 196 G C 1.552 176.509 174.900 0.095 0.000 1.160 196 G CA 1.178 46.299 45.100 0.035 0.000 0.767 196 G HN 0.343 nan 8.290 nan 0.000 0.571 197 I N 0.668 121.278 120.570 0.065 0.000 2.252 197 I HA -0.012 4.158 4.170 0.000 0.000 0.245 197 I C 2.834 179.003 176.117 0.088 0.000 1.102 197 I CA 0.642 61.978 61.300 0.060 0.000 1.385 197 I CB -1.239 36.769 38.000 0.014 0.000 1.064 197 I HN 0.164 nan 8.210 nan 0.000 0.414 198 L N -0.676 120.606 121.223 0.099 0.000 2.093 198 L HA -0.242 4.098 4.340 0.000 0.000 0.208 198 L C 2.722 179.681 176.870 0.148 0.000 1.085 198 L CA 1.284 56.194 54.840 0.117 0.000 0.755 198 L CB -0.773 41.360 42.059 0.123 0.000 0.904 198 L HN 0.144 nan 8.230 nan 0.000 0.435 199 Y N 0.749 121.076 120.300 0.044 0.000 2.181 199 Y HA -0.253 4.297 4.550 0.000 0.000 0.288 199 Y C 2.484 178.411 175.900 0.045 0.000 1.146 199 Y CA 1.314 59.441 58.100 0.046 0.000 1.164 199 Y CB -0.170 38.319 38.460 0.047 0.000 0.982 199 Y HN 0.108 nan 8.280 nan 0.000 0.515 200 A N -0.235 122.739 122.820 0.258 0.000 2.121 200 A HA 0.009 4.329 4.320 0.000 0.000 0.218 200 A C 2.223 179.854 177.584 0.078 0.000 1.154 200 A CA 1.474 53.609 52.037 0.165 0.000 0.679 200 A CB -1.111 17.971 19.000 0.137 0.000 0.795 200 A HN 0.563 nan 8.150 nan 0.000 0.458 201 A N -0.077 122.782 122.820 0.065 0.000 1.859 201 A HA 0.057 4.377 4.320 0.000 0.000 0.212 201 A C 2.086 179.679 177.584 0.014 0.000 1.238 201 A CA 0.906 52.971 52.037 0.046 0.000 0.613 201 A CB -0.484 18.554 19.000 0.063 0.000 0.904 201 A HN 0.429 nan 8.150 nan 0.000 0.457 202 R N 0.020 120.517 120.500 -0.006 0.000 2.165 202 R HA -0.257 4.083 4.340 0.000 0.000 0.254 202 R C 1.911 178.170 176.300 -0.068 0.000 1.153 202 R CA 1.825 57.901 56.100 -0.040 0.000 0.971 202 R CB -0.652 29.599 30.300 -0.082 0.000 0.878 202 R HN 0.706 nan 8.270 nan 0.000 0.449 203 D N 0.526 120.860 120.400 -0.110 0.000 2.212 203 D HA -0.161 4.479 4.640 0.000 0.000 0.197 203 D C 1.204 177.495 176.300 -0.016 0.000 1.004 203 D CA 1.997 55.944 54.000 -0.089 0.000 0.864 203 D CB -0.106 40.658 40.800 -0.060 0.000 1.027 203 D HN 0.118 nan 8.370 nan 0.000 0.455 204 V N -1.625 118.298 119.914 0.015 0.000 3.351 204 V HA 0.324 4.444 4.120 0.000 0.000 0.364 204 V C 0.820 176.931 176.094 0.028 0.000 1.219 204 V CA 0.786 63.107 62.300 0.035 0.000 1.382 204 V CB -0.167 31.686 31.823 0.050 0.000 1.203 204 V HN 0.192 nan 8.190 nan 0.000 0.448 205 T N -0.159 114.406 114.554 0.017 0.000 2.992 205 T HA 0.554 4.904 4.350 0.000 0.000 0.255 205 T C 1.095 175.805 174.700 0.016 0.000 0.938 205 T CA 0.732 62.844 62.100 0.020 0.000 0.895 205 T CB 0.462 69.344 68.868 0.024 0.000 1.221 205 T HN 1.494 nan 8.240 nan 0.000 0.512 206 A N 1.418 124.245 122.820 0.011 0.000 3.194 206 A HA -0.129 4.191 4.320 0.000 0.000 0.235 206 A C 0.835 178.431 177.584 0.021 0.000 1.339 206 A CA 1.188 53.234 52.037 0.015 0.000 0.930 206 A CB -2.664 16.344 19.000 0.014 0.000 1.101 206 A HN 0.758 nan 8.150 nan 0.000 0.713 207 T N -3.312 111.250 114.554 0.014 0.000 3.448 207 T HA 0.532 4.882 4.350 0.000 0.000 0.271 207 T C 0.814 175.517 174.700 0.006 0.000 1.002 207 T CA 0.356 62.468 62.100 0.020 0.000 0.995 207 T CB 0.368 69.250 68.868 0.024 0.000 1.153 207 T HN 0.665 nan 8.240 nan 0.000 0.510 208 V N 1.411 121.324 119.914 -0.002 0.000 2.949 208 V HA 0.065 4.185 4.120 0.000 0.000 0.245 208 V C 1.511 177.596 176.094 -0.016 0.000 1.086 208 V CA 0.963 63.238 62.300 -0.042 0.000 1.097 208 V CB -0.031 31.755 31.823 -0.061 0.000 0.762 208 V HN 0.722 nan 8.190 nan 0.000 0.470 209 D N 0.145 120.581 120.400 0.060 0.000 3.038 209 D HA 0.074 4.714 4.640 0.000 0.000 0.243 209 D C 0.276 176.728 176.300 0.253 0.000 1.245 209 D CA 0.228 54.331 54.000 0.172 0.000 0.871 209 D CB 0.491 41.484 40.800 0.322 0.000 1.089 209 D HN 0.222 nan 8.370 nan 0.000 0.464 210 S N 0.540 116.328 115.700 0.146 0.000 2.474 210 S HA 0.253 4.724 4.470 0.000 0.000 0.321 210 S C 1.020 175.716 174.600 0.159 0.000 1.080 210 S CA -0.873 57.419 58.200 0.154 0.000 1.106 210 S CB 0.914 64.165 63.200 0.086 0.000 0.984 210 S HN 0.379 nan 8.310 nan 0.000 0.464 211 L N 7.469 128.833 121.223 0.236 0.000 1.965 211 L HA -0.066 4.274 4.340 0.000 0.000 0.226 211 L C -0.592 176.344 176.870 0.109 0.000 1.083 211 L CA 2.061 57.024 54.840 0.205 0.000 0.790 211 L CB -0.891 41.287 42.059 0.198 0.000 0.898 211 L HN 0.538 nan 8.230 nan 0.000 0.439 212 P HA -0.248 nan 4.420 nan 0.000 0.214 212 P C 2.067 179.405 177.300 0.063 0.000 1.163 212 P CA 1.869 65.009 63.100 0.066 0.000 0.889 212 P CB -0.232 31.501 31.700 0.055 0.000 0.790 213 L N -1.355 119.906 121.223 0.063 0.000 2.349 213 L HA -0.124 4.216 4.340 0.000 0.000 0.220 213 L C 2.636 179.538 176.870 0.054 0.000 1.130 213 L CA 1.052 55.928 54.840 0.061 0.000 0.791 213 L CB -0.384 41.707 42.059 0.054 0.000 0.918 213 L HN -0.061 nan 8.230 nan 0.000 0.444 214 I N -1.880 118.715 120.570 0.041 0.000 2.628 214 I HA -0.155 4.015 4.170 0.000 0.000 0.255 214 I C 2.315 178.458 176.117 0.044 0.000 1.119 214 I CA 0.635 61.949 61.300 0.022 0.000 1.448 214 I CB -0.180 37.793 38.000 -0.046 0.000 1.133 214 I HN 0.087 nan 8.210 nan 0.000 0.438 215 T N 1.220 115.803 114.554 0.049 0.000 2.720 215 T HA -0.187 4.163 4.350 0.000 0.000 0.268 215 T C 1.994 176.723 174.700 0.049 0.000 1.037 215 T CA 1.684 63.814 62.100 0.051 0.000 1.144 215 T CB -0.240 68.661 68.868 0.054 0.000 0.864 215 T HN 0.443 nan 8.240 nan 0.000 0.444 216 A N 0.737 123.590 122.820 0.055 0.000 1.929 216 A HA -0.006 4.314 4.320 0.000 0.000 0.216 216 A C 2.544 180.166 177.584 0.064 0.000 1.176 216 A CA 1.812 53.883 52.037 0.057 0.000 0.628 216 A CB -0.962 18.077 19.000 0.065 0.000 0.816 216 A HN 0.442 nan 8.150 nan 0.000 0.444 217 S N -0.507 115.246 115.700 0.088 0.000 2.383 217 S HA -0.125 4.345 4.470 0.000 0.000 0.229 217 S C 1.767 176.413 174.600 0.078 0.000 1.030 217 S CA 1.557 59.835 58.200 0.130 0.000 1.002 217 S CB -0.489 62.837 63.200 0.211 0.000 0.829 217 S HN 0.479 nan 8.310 nan 0.000 0.467 218 I N 0.676 121.277 120.570 0.051 0.000 2.558 218 I HA -0.030 4.140 4.170 0.000 0.000 0.229 218 I C 2.185 178.260 176.117 -0.070 0.000 1.060 218 I CA 0.596 61.874 61.300 -0.037 0.000 1.396 218 I CB -0.666 37.358 38.000 0.041 0.000 1.207 218 I HN 0.208 nan 8.210 nan 0.000 0.423 219 L N 1.143 122.355 121.223 -0.019 0.000 2.113 219 L HA -0.346 3.994 4.340 0.000 0.000 0.221 219 L C 2.804 179.666 176.870 -0.014 0.000 1.084 219 L CA 2.055 56.888 54.840 -0.011 0.000 0.787 219 L CB -1.141 40.926 42.059 0.013 0.000 0.893 219 L HN 0.516 nan 8.230 nan 0.000 0.440 220 S N -0.134 115.563 115.700 -0.006 0.000 2.344 220 S HA -0.240 4.230 4.470 0.000 0.000 0.217 220 S C 1.893 176.484 174.600 -0.016 0.000 1.033 220 S CA 1.168 59.369 58.200 0.001 0.000 1.017 220 S CB -0.482 62.728 63.200 0.016 0.000 0.941 220 S HN 0.345 nan 8.310 nan 0.000 0.430 221 K N 0.972 121.345 120.400 -0.044 0.000 2.218 221 K HA -0.033 4.287 4.320 0.000 0.000 0.205 221 K C 2.069 178.634 176.600 -0.059 0.000 1.046 221 K CA 1.206 57.456 56.287 -0.061 0.000 0.933 221 K CB -0.080 32.348 32.500 -0.120 0.000 0.728 221 K HN 0.286 nan 8.250 nan 0.000 0.454 222 K N 0.391 120.741 120.400 -0.084 0.000 2.361 222 K HA 0.033 4.353 4.320 0.000 0.000 0.196 222 K C 1.850 178.452 176.600 0.003 0.000 1.039 222 K CA 0.448 56.702 56.287 -0.055 0.000 1.001 222 K CB 0.191 32.639 32.500 -0.086 0.000 0.795 222 K HN 0.183 nan 8.250 nan 0.000 0.495 223 L N 0.492 121.721 121.223 0.010 0.000 2.375 223 L HA -0.027 4.313 4.340 0.000 0.000 0.215 223 L C 1.762 178.665 176.870 0.055 0.000 1.108 223 L CA 0.246 55.105 54.840 0.031 0.000 0.830 223 L CB 0.216 42.289 42.059 0.023 0.000 0.959 223 L HN -0.182 nan 8.230 nan 0.000 0.457 224 V N -0.595 119.351 119.914 0.054 0.000 3.217 224 V HA -0.133 3.988 4.120 0.000 0.000 0.264 224 V C 1.928 178.114 176.094 0.153 0.000 1.135 224 V CA 1.083 63.427 62.300 0.073 0.000 1.142 224 V CB -0.260 31.592 31.823 0.048 0.000 0.754 224 V HN 0.441 nan 8.190 nan 0.000 0.484 225 E N 0.524 120.825 120.200 0.167 0.000 2.371 225 E HA 0.108 4.458 4.350 0.000 0.000 0.194 225 E C 1.660 178.464 176.600 0.341 0.000 1.012 225 E CA 0.520 57.085 56.400 0.274 0.000 0.860 225 E CB -0.002 29.778 29.700 0.133 0.000 0.811 225 E HN 0.600 nan 8.360 nan 0.000 0.502 226 G N 2.276 111.211 108.800 0.225 0.000 2.323 226 G HA2 -0.289 3.671 3.960 0.000 0.000 0.292 226 G HA3 -0.289 3.671 3.960 0.000 0.000 0.292 226 G C 0.092 175.069 174.900 0.128 0.000 1.040 226 G CA 0.142 45.366 45.100 0.207 0.000 0.942 226 G HN 0.115 nan 8.290 nan 0.000 0.506 227 L N -0.061 121.198 121.223 0.060 0.000 2.436 227 L HA 0.448 4.788 4.340 0.000 0.000 0.265 227 L C 1.792 178.662 176.870 -0.001 0.000 1.168 227 L CA 0.111 54.952 54.840 0.001 0.000 0.815 227 L CB 1.332 43.381 42.059 -0.017 0.000 1.109 227 L HN 0.353 nan 8.230 nan 0.000 0.462 228 S N -0.165 115.520 115.700 -0.025 0.000 2.556 228 S HA 0.446 4.916 4.470 0.000 0.000 0.216 228 S C 0.333 174.894 174.600 -0.065 0.000 0.970 228 S CA 0.076 58.255 58.200 -0.036 0.000 0.912 228 S CB 0.377 63.553 63.200 -0.040 0.000 0.790 228 S HN 0.685 nan 8.310 nan 0.000 0.504 229 A N 1.429 124.214 122.820 -0.059 0.000 2.480 229 A HA 0.642 4.962 4.320 0.000 0.000 0.289 229 A C -1.199 176.366 177.584 -0.031 0.000 1.044 229 A CA -0.572 51.426 52.037 -0.064 0.000 0.761 229 A CB 1.234 20.173 19.000 -0.102 0.000 1.289 229 A HN 0.363 nan 8.150 nan 0.000 0.401 230 L N 2.937 124.153 121.223 -0.012 0.000 2.341 230 L HA 0.928 5.268 4.340 0.000 0.000 0.267 230 L C -1.494 175.398 176.870 0.036 0.000 1.009 230 L CA -0.655 54.193 54.840 0.014 0.000 0.819 230 L CB 2.062 44.130 42.059 0.015 0.000 1.323 230 L HN 0.556 nan 8.230 nan 0.000 0.425 231 V N 4.021 123.971 119.914 0.060 0.000 2.655 231 V HA 0.382 4.502 4.120 0.000 0.000 0.301 231 V C -0.464 175.690 176.094 0.099 0.000 1.082 231 V CA -0.718 61.633 62.300 0.085 0.000 0.899 231 V CB 2.108 33.988 31.823 0.094 0.000 1.014 231 V HN 0.489 nan 8.190 nan 0.000 0.429 232 V N 2.574 122.549 119.914 0.103 0.000 2.394 232 V HA 0.403 4.523 4.120 0.000 0.000 0.282 232 V C -0.060 176.095 176.094 0.102 0.000 1.031 232 V CA -0.448 61.918 62.300 0.110 0.000 0.881 232 V CB 1.792 33.675 31.823 0.100 0.000 0.982 232 V HN 0.895 nan 8.190 nan 0.000 0.451 233 D N 4.375 124.827 120.400 0.087 0.000 2.435 233 D HA 0.146 4.786 4.640 0.000 0.000 0.230 233 D C -0.229 176.100 176.300 0.048 0.000 1.215 233 D CA -0.014 54.031 54.000 0.074 0.000 0.947 233 D CB 1.005 41.834 40.800 0.047 0.000 1.048 233 D HN 0.290 nan 8.370 nan 0.000 0.512 234 V N 5.925 125.879 119.914 0.066 0.000 2.356 234 V HA 0.097 4.217 4.120 0.000 0.000 0.258 234 V C 0.744 176.893 176.094 0.090 0.000 1.065 234 V CA -0.614 61.728 62.300 0.069 0.000 0.935 234 V CB 0.391 32.271 31.823 0.095 0.000 1.061 234 V HN 0.259 nan 8.190 nan 0.000 0.484 235 K N 5.432 125.850 120.400 0.029 0.000 2.270 235 K HA 0.486 4.806 4.320 0.000 0.000 0.276 235 K C -0.528 176.129 176.600 0.095 0.000 1.023 235 K CA -0.051 56.223 56.287 -0.022 0.000 0.955 235 K CB 1.124 33.577 32.500 -0.079 0.000 0.975 235 K HN 0.610 nan 8.250 nan 0.000 0.471 236 F N -2.002 117.960 119.950 0.020 0.000 2.574 236 F HA 0.714 5.241 4.527 0.000 0.000 0.313 236 F C 0.008 175.831 175.800 0.038 0.000 1.130 236 F CA -0.650 57.379 58.000 0.048 0.000 0.936 236 F CB 1.874 40.897 39.000 0.039 0.000 1.219 236 F HN 0.716 nan 8.300 nan 0.000 0.445 237 G N 1.602 110.499 108.800 0.161 0.000 2.340 237 G HA2 0.369 4.329 3.960 0.000 0.000 0.282 237 G HA3 0.369 4.329 3.960 0.000 0.000 0.282 237 G C 0.382 175.330 174.900 0.080 0.000 1.312 237 G CA -0.168 44.981 45.100 0.081 0.000 0.942 237 G HN 1.341 nan 8.290 nan 0.000 0.495 238 G N 0.032 108.864 108.800 0.054 0.000 2.529 238 G HA2 0.173 4.133 3.960 0.000 0.000 0.219 238 G HA3 0.173 4.133 3.960 0.000 0.000 0.219 238 G C 1.931 176.885 174.900 0.090 0.000 1.177 238 G CA 3.180 48.318 45.100 0.063 0.000 0.773 238 G HN 1.883 nan 8.290 nan 0.000 0.573 239 A N 0.130 122.995 122.820 0.076 0.000 2.132 239 A HA 0.705 5.025 4.320 0.000 0.000 0.213 239 A C 1.636 179.272 177.584 0.087 0.000 1.154 239 A CA 1.017 53.127 52.037 0.123 0.000 0.753 239 A CB -0.270 18.763 19.000 0.055 0.000 0.826 239 A HN 0.938 nan 8.150 nan 0.000 0.469 240 A N -0.035 122.811 122.820 0.042 0.000 2.511 240 A HA 0.378 4.698 4.320 0.000 0.000 0.242 240 A C 1.437 179.078 177.584 0.096 0.000 1.069 240 A CA 0.114 52.165 52.037 0.023 0.000 0.763 240 A CB 0.099 19.120 19.000 0.036 0.000 1.001 240 A HN 0.527 nan 8.150 nan 0.000 0.498 241 V N 2.352 122.271 119.914 0.009 0.000 2.428 241 V HA -0.231 3.889 4.120 0.000 0.000 0.255 241 V C 0.772 177.059 176.094 0.322 0.000 1.080 241 V CA 1.642 63.969 62.300 0.045 0.000 1.083 241 V CB -0.958 30.734 31.823 -0.219 0.000 0.665 241 V HN 0.691 nan 8.190 nan 0.000 0.461 242 F N -0.500 119.491 119.950 0.069 0.000 2.451 242 F HA 0.304 4.831 4.527 0.000 0.000 0.367 242 F C -1.763 174.099 175.800 0.103 0.000 1.100 242 F CA -1.926 56.120 58.000 0.076 0.000 1.171 242 F CB 1.793 40.835 39.000 0.071 0.000 1.405 242 F HN 0.107 nan 8.300 nan 0.000 0.482 243 P HA -0.154 nan 4.420 nan 0.000 0.219 243 P C 0.048 177.455 177.300 0.177 0.000 1.150 243 P CA 0.998 64.217 63.100 0.197 0.000 0.814 243 P CB 0.138 31.919 31.700 0.134 0.000 0.787 244 N N 0.789 119.550 118.700 0.102 0.000 2.411 244 N HA -0.094 4.646 4.740 0.000 0.000 0.265 244 N C 1.660 177.191 175.510 0.034 0.000 1.266 244 N CA -0.378 52.690 53.050 0.030 0.000 0.889 244 N CB 0.498 38.949 38.487 -0.061 0.000 1.069 244 N HN 0.010 nan 8.380 nan 0.000 0.476 245 Q N 3.434 123.228 119.800 -0.010 0.000 2.118 245 Q HA -0.261 4.079 4.340 0.000 0.000 0.211 245 Q C 0.465 176.367 176.000 -0.164 0.000 0.998 245 Q CA 1.807 57.530 55.803 -0.133 0.000 0.872 245 Q CB -0.334 28.322 28.738 -0.136 0.000 0.925 245 Q HN 0.707 nan 8.270 nan 0.000 0.414 246 E N 0.845 120.983 120.200 -0.103 0.000 2.140 246 E HA -0.074 4.276 4.350 0.000 0.000 0.191 246 E C 2.040 178.608 176.600 -0.054 0.000 0.973 246 E CA 0.748 57.096 56.400 -0.087 0.000 0.829 246 E CB -0.287 29.368 29.700 -0.074 0.000 0.781 246 E HN 0.618 nan 8.360 nan 0.000 0.466 247 Q N 0.518 120.277 119.800 -0.069 0.000 2.308 247 Q HA -0.144 4.196 4.340 0.000 0.000 0.209 247 Q C 1.664 177.712 176.000 0.079 0.000 0.985 247 Q CA 1.472 57.206 55.803 -0.115 0.000 0.881 247 Q CB 0.045 28.600 28.738 -0.306 0.000 0.917 247 Q HN 0.212 nan 8.270 nan 0.000 0.443 248 A N 0.111 123.023 122.820 0.153 0.000 1.956 248 A HA -0.013 4.307 4.320 0.000 0.000 0.212 248 A C 1.966 179.631 177.584 0.135 0.000 1.188 248 A CA 0.587 52.785 52.037 0.268 0.000 0.675 248 A CB -0.279 18.888 19.000 0.280 0.000 0.845 248 A HN 0.323 nan 8.150 nan 0.000 0.455 249 R N 0.094 120.611 120.500 0.028 0.000 2.070 249 R HA -0.149 4.191 4.340 0.000 0.000 0.232 249 R C 1.952 178.271 176.300 0.031 0.000 1.138 249 R CA 1.786 57.883 56.100 -0.005 0.000 0.936 249 R CB -0.219 30.043 30.300 -0.063 0.000 0.839 249 R HN 0.404 nan 8.270 nan 0.000 0.429 250 E N 1.122 121.339 120.200 0.029 0.000 2.097 250 E HA -0.244 4.106 4.350 0.000 0.000 0.196 250 E C 1.929 178.574 176.600 0.075 0.000 1.000 250 E CA 0.858 57.280 56.400 0.037 0.000 0.804 250 E CB -0.575 29.135 29.700 0.017 0.000 0.740 250 E HN 0.352 nan 8.360 nan 0.000 0.454 251 L N 0.612 121.914 121.223 0.133 0.000 2.191 251 L HA -0.070 4.270 4.340 0.000 0.000 0.212 251 L C 2.020 178.956 176.870 0.111 0.000 1.103 251 L CA 1.779 56.722 54.840 0.171 0.000 0.769 251 L CB -0.842 41.404 42.059 0.311 0.000 0.908 251 L HN 0.027 nan 8.230 nan 0.000 0.438 252 A N 0.444 123.320 122.820 0.094 0.000 1.873 252 A HA -0.204 4.116 4.320 0.000 0.000 0.215 252 A C 2.213 179.833 177.584 0.059 0.000 1.186 252 A CA 1.490 53.571 52.037 0.072 0.000 0.616 252 A CB -0.371 18.666 19.000 0.063 0.000 0.823 252 A HN 0.466 nan 8.150 nan 0.000 0.442 253 K N -0.510 119.920 120.400 0.050 0.000 2.281 253 K HA -0.087 4.233 4.320 0.000 0.000 0.203 253 K C 1.840 178.465 176.600 0.043 0.000 1.046 253 K CA 1.623 57.934 56.287 0.041 0.000 0.938 253 K CB -0.282 32.236 32.500 0.031 0.000 0.737 253 K HN 0.494 nan 8.250 nan 0.000 0.458 254 T N 1.443 116.028 114.554 0.052 0.000 2.851 254 T HA 0.010 4.360 4.350 0.000 0.000 0.262 254 T C 1.751 176.480 174.700 0.048 0.000 1.043 254 T CA 0.688 62.819 62.100 0.051 0.000 1.140 254 T CB -0.041 68.865 68.868 0.063 0.000 0.872 254 T HN 0.101 nan 8.240 nan 0.000 0.446 255 L N 0.887 122.142 121.223 0.053 0.000 2.275 255 L HA -0.037 4.303 4.340 0.000 0.000 0.215 255 L C 2.363 179.258 176.870 0.043 0.000 1.119 255 L CA 0.628 55.498 54.840 0.049 0.000 0.790 255 L CB -0.372 41.720 42.059 0.055 0.000 0.919 255 L HN 0.173 nan 8.230 nan 0.000 0.443 256 V N -0.808 119.132 119.914 0.043 0.000 2.492 256 V HA 0.017 4.137 4.120 0.000 0.000 0.241 256 V C 2.458 178.570 176.094 0.031 0.000 1.041 256 V CA 1.470 63.793 62.300 0.038 0.000 1.057 256 V CB -0.700 31.149 31.823 0.042 0.000 0.711 256 V HN 0.457 nan 8.190 nan 0.000 0.468 257 G N 0.575 109.394 108.800 0.031 0.000 2.604 257 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 257 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 257 G C 1.688 176.602 174.900 0.024 0.000 1.265 257 G CA 1.431 46.547 45.100 0.026 0.000 0.804 257 G HN 0.278 nan 8.290 nan 0.000 0.579 258 V N 1.959 121.890 119.914 0.027 0.000 2.313 258 V HA -0.225 3.895 4.120 0.000 0.000 0.253 258 V C 3.136 179.245 176.094 0.024 0.000 1.070 258 V CA 2.305 64.620 62.300 0.026 0.000 1.057 258 V CB -1.348 30.493 31.823 0.030 0.000 0.653 258 V HN 0.513 nan 8.190 nan 0.000 0.450 259 G N -0.614 108.201 108.800 0.025 0.000 2.446 259 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 259 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 259 G C 1.746 176.656 174.900 0.017 0.000 1.168 259 G CA 1.134 46.247 45.100 0.021 0.000 0.771 259 G HN 0.671 nan 8.290 nan 0.000 0.551 260 A N 1.197 124.027 122.820 0.016 0.000 1.930 260 A HA 0.005 4.325 4.320 0.000 0.000 0.217 260 A C 2.718 180.309 177.584 0.012 0.000 1.175 260 A CA 2.418 54.462 52.037 0.011 0.000 0.627 260 A CB -0.719 18.288 19.000 0.010 0.000 0.815 260 A HN 0.791 nan 8.150 nan 0.000 0.443 261 S N -0.284 115.425 115.700 0.014 0.000 2.442 261 S HA -0.000 4.470 4.470 0.000 0.000 0.236 261 S C 1.444 176.053 174.600 0.015 0.000 1.007 261 S CA 1.265 59.474 58.200 0.014 0.000 0.965 261 S CB -0.482 62.728 63.200 0.016 0.000 0.773 261 S HN 0.435 nan 8.310 nan 0.000 0.504 262 L N 0.736 121.969 121.223 0.016 0.000 2.592 262 L HA 0.359 4.699 4.340 0.000 0.000 0.227 262 L C 1.835 178.715 176.870 0.016 0.000 1.127 262 L CA 0.349 55.200 54.840 0.017 0.000 0.884 262 L CB -0.275 41.796 42.059 0.019 0.000 1.065 262 L HN 0.610 nan 8.230 nan 0.000 0.457 263 G N 0.171 108.979 108.800 0.013 0.000 2.175 263 G HA2 -0.256 3.704 3.960 0.000 0.000 0.244 263 G HA3 -0.256 3.704 3.960 0.000 0.000 0.244 263 G C 0.207 175.112 174.900 0.009 0.000 0.982 263 G CA -0.368 44.739 45.100 0.011 0.000 0.641 263 G HN 0.178 nan 8.290 nan 0.000 0.527 264 L N 1.134 122.363 121.223 0.010 0.000 2.349 264 L HA 0.410 4.750 4.340 0.000 0.000 0.275 264 L C 1.001 177.870 176.870 -0.001 0.000 1.115 264 L CA -0.688 54.156 54.840 0.007 0.000 0.820 264 L CB 0.756 42.821 42.059 0.010 0.000 1.135 264 L HN 0.059 nan 8.230 nan 0.000 0.445 265 R N 3.535 124.028 120.500 -0.012 0.000 3.266 265 R HA 0.237 4.577 4.340 0.000 0.000 0.224 265 R C -0.799 175.491 176.300 -0.016 0.000 1.525 265 R CA -0.301 55.785 56.100 -0.024 0.000 1.364 265 R CB 0.170 30.439 30.300 -0.051 0.000 1.276 265 R HN 0.335 nan 8.270 nan 0.000 0.660 266 V N 1.358 121.273 119.914 0.003 0.000 2.785 266 V HA 0.551 4.671 4.120 0.000 0.000 0.300 266 V C 0.429 176.542 176.094 0.032 0.000 1.062 266 V CA -0.621 61.690 62.300 0.020 0.000 1.029 266 V CB 1.650 33.489 31.823 0.028 0.000 1.024 266 V HN 0.634 nan 8.190 nan 0.000 0.477 267 A N 2.812 125.664 122.820 0.053 0.000 2.455 267 A HA 0.895 5.215 4.320 0.000 0.000 0.300 267 A C -0.526 177.115 177.584 0.096 0.000 1.040 267 A CA -0.289 51.797 52.037 0.082 0.000 0.697 267 A CB 1.696 20.759 19.000 0.105 0.000 1.265 267 A HN 1.386 nan 8.150 nan 0.000 0.407 268 A N 1.176 124.056 122.820 0.100 0.000 2.318 268 A HA 0.860 5.180 4.320 0.000 0.000 0.317 268 A C -0.081 177.568 177.584 0.109 0.000 1.159 268 A CA 0.099 52.194 52.037 0.098 0.000 0.799 268 A CB 1.018 20.064 19.000 0.077 0.000 1.194 268 A HN 2.337 nan 8.150 nan 0.000 0.479 269 A N 2.858 125.752 122.820 0.123 0.000 2.343 269 A HA 0.723 5.043 4.320 0.000 0.000 0.316 269 A C -0.473 177.130 177.584 0.031 0.000 1.104 269 A CA -0.491 51.611 52.037 0.108 0.000 0.768 269 A CB 0.639 19.828 19.000 0.315 0.000 1.213 269 A HN 0.830 nan 8.150 nan 0.000 0.456 270 L N 1.446 122.625 121.223 -0.073 0.000 2.421 270 L HA 0.758 5.098 4.340 0.000 0.000 0.263 270 L C 0.251 177.105 176.870 -0.027 0.000 1.122 270 L CA -0.405 54.483 54.840 0.080 0.000 0.804 270 L CB 1.564 43.719 42.059 0.160 0.000 1.150 270 L HN 0.853 nan 8.230 nan 0.000 0.457 271 T N -1.483 113.082 114.554 0.019 0.000 3.435 271 T HA 0.517 4.867 4.350 0.000 0.000 0.344 271 T C -0.568 173.746 174.700 -0.642 0.000 1.211 271 T CA -0.792 61.181 62.100 -0.210 0.000 1.104 271 T CB 1.318 70.152 68.868 -0.056 0.000 1.196 271 T HN 0.733 nan 8.240 nan 0.000 0.471 272 A N 3.384 125.774 122.820 -0.717 0.000 2.526 272 A HA 0.503 4.823 4.320 0.000 0.000 0.267 272 A C 0.581 177.929 177.584 -0.394 0.000 1.095 272 A CA -0.232 51.350 52.037 -0.759 0.000 0.775 272 A CB -0.398 18.382 19.000 -0.366 0.000 1.036 272 A HN 0.928 nan 8.150 nan 0.000 0.510 273 M N 2.786 122.162 119.600 -0.373 0.000 3.076 273 M HA 0.214 4.694 4.480 0.000 0.000 0.296 273 M C 0.121 176.357 176.300 -0.106 0.000 1.185 273 M CA -0.130 55.060 55.300 -0.183 0.000 0.932 273 M CB -0.180 32.329 32.600 -0.151 0.000 1.288 273 M HN 0.740 nan 8.290 nan 0.000 0.536 274 D N 0.851 121.193 120.400 -0.096 0.000 2.137 274 D HA -0.024 4.616 4.640 0.000 0.000 0.202 274 D C 0.541 176.838 176.300 -0.006 0.000 0.970 274 D CA 0.874 54.857 54.000 -0.028 0.000 0.837 274 D CB 0.389 41.183 40.800 -0.010 0.000 0.981 274 D HN 0.500 nan 8.370 nan 0.000 0.475 275 K N 0.987 121.378 120.400 -0.015 0.000 2.281 275 K HA 0.531 4.851 4.320 0.000 0.000 0.242 275 K C -3.019 173.573 176.600 -0.013 0.000 0.971 275 K CA -1.805 54.484 56.287 0.004 0.000 0.834 275 K CB 2.245 34.751 32.500 0.011 0.000 1.181 275 K HN -0.351 nan 8.250 nan 0.000 0.435 276 P HA -0.059 nan 4.420 nan 0.000 0.270 276 P C -0.810 176.472 177.300 -0.029 0.000 1.223 276 P CA -0.332 62.757 63.100 -0.019 0.000 0.785 276 P CB 0.424 32.118 31.700 -0.010 0.000 0.923 277 L N 2.451 123.649 121.223 -0.041 0.000 2.358 277 L HA 0.429 4.769 4.340 0.000 0.000 0.274 277 L C 0.734 177.580 176.870 -0.040 0.000 1.136 277 L CA 0.562 55.377 54.840 -0.042 0.000 0.970 277 L CB -1.317 40.712 42.059 -0.050 0.000 1.314 277 L HN 0.744 nan 8.230 nan 0.000 0.427 278 G N 3.797 112.577 108.800 -0.033 0.000 2.395 278 G HA2 -0.180 3.780 3.960 0.000 0.000 0.201 278 G HA3 -0.180 3.780 3.960 0.000 0.000 0.201 278 G C 0.206 175.090 174.900 -0.026 0.000 1.206 278 G CA -0.182 44.898 45.100 -0.033 0.000 1.210 278 G HN 0.529 nan 8.290 nan 0.000 0.557 279 R N -1.495 118.989 120.500 -0.027 0.000 2.576 279 R HA 0.332 4.672 4.340 0.000 0.000 0.237 279 R C -0.064 176.220 176.300 -0.028 0.000 0.917 279 R CA 0.507 56.594 56.100 -0.022 0.000 1.002 279 R CB 0.943 31.232 30.300 -0.018 0.000 1.428 279 R HN 0.450 nan 8.270 nan 0.000 0.603 280 C N 1.980 121.262 119.300 -0.030 0.000 2.281 280 C HA 0.579 5.039 4.460 0.000 0.000 0.325 280 C C -0.045 174.918 174.990 -0.046 0.000 1.282 280 C CA -0.657 58.344 59.018 -0.028 0.000 1.640 280 C CB 1.151 28.879 27.740 -0.020 0.000 2.288 280 C HN 0.029 nan 8.230 nan 0.000 0.507 281 V N 4.269 124.154 119.914 -0.048 0.000 2.443 281 V HA 0.913 5.033 4.120 0.000 0.000 0.293 281 V C 0.588 176.632 176.094 -0.084 0.000 1.021 281 V CA 0.639 62.895 62.300 -0.074 0.000 0.848 281 V CB 1.045 32.833 31.823 -0.058 0.000 0.998 281 V HN 1.214 nan 8.190 nan 0.000 0.424 282 G N 3.236 111.935 108.800 -0.168 0.000 2.609 282 G HA2 0.223 4.183 3.960 0.000 0.000 0.082 282 G HA3 0.223 4.183 3.960 0.000 0.000 0.082 282 G C -0.086 174.508 174.900 -0.511 0.000 1.075 282 G CA 0.025 44.998 45.100 -0.212 0.000 1.172 282 G HN 0.483 nan 8.290 nan 0.000 0.532 283 H N -1.034 118.036 119.070 -0.000 0.000 1.985 283 H HA 0.381 4.937 4.556 0.000 0.000 0.159 283 H C 2.709 178.026 175.328 -0.019 0.000 1.010 283 H CA 0.873 56.914 56.048 -0.012 0.000 1.075 283 H CB 0.030 29.787 29.762 -0.009 0.000 0.963 283 H HN 0.559 nan 8.280 nan 0.000 0.330 284 A N 2.131 125.018 122.820 0.111 0.000 1.908 284 A HA -0.102 4.219 4.320 0.000 0.000 0.218 284 A C 2.465 180.053 177.584 0.006 0.000 1.181 284 A CA 1.510 53.571 52.037 0.039 0.000 0.627 284 A CB -1.060 17.945 19.000 0.009 0.000 0.818 284 A HN 0.255 nan 8.150 nan 0.000 0.445 285 L N -0.603 120.618 121.223 -0.005 0.000 2.012 285 L HA -0.219 4.121 4.340 0.000 0.000 0.210 285 L C 2.590 179.444 176.870 -0.028 0.000 1.073 285 L CA 1.613 56.443 54.840 -0.016 0.000 0.748 285 L CB -1.041 41.025 42.059 0.012 0.000 0.891 285 L HN 0.378 nan 8.230 nan 0.000 0.431 286 E N 0.421 120.593 120.200 -0.047 0.000 2.097 286 E HA -0.203 4.147 4.350 0.000 0.000 0.196 286 E C 2.371 178.938 176.600 -0.055 0.000 1.000 286 E CA 1.587 57.948 56.400 -0.066 0.000 0.804 286 E CB -0.444 29.198 29.700 -0.098 0.000 0.740 286 E HN 0.377 nan 8.360 nan 0.000 0.454 287 V N 1.949 121.844 119.914 -0.031 0.000 2.233 287 V HA -0.282 3.838 4.120 0.000 0.000 0.247 287 V C 2.269 178.347 176.094 -0.027 0.000 1.050 287 V CA 2.120 64.409 62.300 -0.017 0.000 1.010 287 V CB -0.709 31.134 31.823 0.034 0.000 0.637 287 V HN 0.259 nan 8.190 nan 0.000 0.444 288 E N 0.074 120.266 120.200 -0.013 0.000 2.068 288 E HA -0.365 3.985 4.350 0.000 0.000 0.207 288 E C 2.248 178.828 176.600 -0.035 0.000 1.032 288 E CA 1.980 58.371 56.400 -0.015 0.000 0.839 288 E CB -0.304 29.387 29.700 -0.016 0.000 0.758 288 E HN 0.737 nan 8.360 nan 0.000 0.457 289 E N 0.419 120.594 120.200 -0.042 0.000 2.204 289 E HA -0.174 4.176 4.350 0.000 0.000 0.195 289 E C 1.964 178.518 176.600 -0.076 0.000 0.990 289 E CA 0.863 57.232 56.400 -0.051 0.000 0.821 289 E CB -0.012 29.660 29.700 -0.047 0.000 0.750 289 E HN 0.268 nan 8.360 nan 0.000 0.477 290 A N 0.648 123.409 122.820 -0.099 0.000 1.897 290 A HA -0.090 4.230 4.320 0.000 0.000 0.215 290 A C 2.117 179.587 177.584 -0.190 0.000 1.181 290 A CA 0.745 52.689 52.037 -0.155 0.000 0.620 290 A CB -0.495 18.389 19.000 -0.193 0.000 0.821 290 A HN 0.294 nan 8.150 nan 0.000 0.443 291 L N -1.075 120.056 121.223 -0.153 0.000 2.017 291 L HA -0.178 4.162 4.340 0.000 0.000 0.208 291 L C 2.502 179.322 176.870 -0.083 0.000 1.073 291 L CA 1.141 55.908 54.840 -0.123 0.000 0.745 291 L CB -0.420 41.625 42.059 -0.023 0.000 0.894 291 L HN 0.423 nan 8.230 nan 0.000 0.432 292 L N -0.693 120.493 121.223 -0.061 0.000 2.127 292 L HA -0.283 4.057 4.340 0.000 0.000 0.211 292 L C 2.593 179.429 176.870 -0.055 0.000 1.089 292 L CA 1.582 56.395 54.840 -0.046 0.000 0.757 292 L CB -0.630 41.407 42.059 -0.037 0.000 0.899 292 L HN 0.391 nan 8.230 nan 0.000 0.434 293 C N -0.375 118.879 119.300 -0.076 0.000 2.442 293 C HA -0.211 4.249 4.460 0.000 0.000 0.279 293 C C 2.794 177.737 174.990 -0.078 0.000 1.237 293 C CA 1.261 60.233 59.018 -0.077 0.000 1.722 293 C CB -0.688 26.996 27.740 -0.094 0.000 2.056 293 C HN 0.617 nan 8.230 nan 0.000 0.469 294 M N 0.125 119.661 119.600 -0.107 0.000 2.267 294 M HA -0.096 4.384 4.480 0.000 0.000 0.263 294 M C 0.936 177.204 176.300 -0.054 0.000 1.063 294 M CA 1.286 56.529 55.300 -0.095 0.000 1.090 294 M CB -0.615 31.897 32.600 -0.147 0.000 1.392 294 M HN 0.355 nan 8.290 nan 0.000 0.422 295 D N 0.453 120.824 120.400 -0.048 0.000 3.008 295 D HA 0.146 4.786 4.640 0.000 0.000 0.242 295 D C 1.220 177.505 176.300 -0.024 0.000 1.222 295 D CA 0.817 54.802 54.000 -0.025 0.000 0.883 295 D CB -0.269 40.519 40.800 -0.020 0.000 1.110 295 D HN 0.510 nan 8.370 nan 0.000 0.455 296 G N 0.412 109.196 108.800 -0.026 0.000 2.640 296 G HA2 -0.185 3.776 3.960 0.000 0.000 0.226 296 G HA3 -0.185 3.776 3.960 0.000 0.000 0.226 296 G C 0.427 175.310 174.900 -0.028 0.000 1.222 296 G CA 0.151 45.237 45.100 -0.023 0.000 0.729 296 G HN 1.108 nan 8.290 nan 0.000 0.516 297 A N -1.609 121.193 122.820 -0.030 0.000 2.581 297 A HA 0.875 5.195 4.320 0.000 0.000 0.294 297 A C 0.132 177.696 177.584 -0.034 0.000 1.035 297 A CA 0.894 52.911 52.037 -0.032 0.000 0.684 297 A CB 0.493 19.477 19.000 -0.026 0.000 1.282 297 A HN 2.147 nan 8.150 nan 0.000 0.417 298 G N -0.218 108.560 108.800 -0.036 0.000 3.039 298 G HA2 0.774 4.734 3.960 0.000 0.000 0.202 298 G HA3 0.774 4.734 3.960 0.000 0.000 0.202 298 G C -3.083 171.797 174.900 -0.033 0.000 1.151 298 G CA -0.829 44.249 45.100 -0.036 0.000 0.836 298 G HN 0.641 nan 8.290 nan 0.000 0.598 299 P HA 0.270 nan 4.420 nan 0.000 0.268 299 P C -2.004 175.276 177.300 -0.033 0.000 1.205 299 P CA -0.887 62.194 63.100 -0.032 0.000 0.771 299 P CB 1.113 32.793 31.700 -0.033 0.000 0.858 300 P HA -0.181 nan 4.420 nan 0.000 0.221 300 P C 0.914 178.199 177.300 -0.026 0.000 1.145 300 P CA 1.233 64.316 63.100 -0.028 0.000 0.795 300 P CB 0.105 31.789 31.700 -0.026 0.000 0.775 301 D N -0.601 119.784 120.400 -0.026 0.000 2.120 301 D HA -0.158 4.482 4.640 0.000 0.000 0.191 301 D C 2.049 178.334 176.300 -0.025 0.000 0.994 301 D CA 1.151 55.138 54.000 -0.022 0.000 0.838 301 D CB -0.921 39.864 40.800 -0.025 0.000 0.976 301 D HN 0.065 nan 8.370 nan 0.000 0.447 302 L N 0.365 121.567 121.223 -0.035 0.000 1.976 302 L HA -0.277 4.063 4.340 0.000 0.000 0.223 302 L C 2.760 179.605 176.870 -0.043 0.000 1.081 302 L CA 1.830 56.644 54.840 -0.043 0.000 0.784 302 L CB -0.499 41.528 42.059 -0.054 0.000 0.896 302 L HN 0.070 nan 8.230 nan 0.000 0.438 303 R N 0.036 120.509 120.500 -0.045 0.000 2.094 303 R HA -0.255 4.085 4.340 0.000 0.000 0.239 303 R C 2.141 178.412 176.300 -0.049 0.000 1.137 303 R CA 2.209 58.281 56.100 -0.047 0.000 0.943 303 R CB -0.513 29.761 30.300 -0.044 0.000 0.850 303 R HN 0.381 nan 8.270 nan 0.000 0.433 304 D N -0.091 120.284 120.400 -0.041 0.000 2.311 304 D HA -0.164 4.476 4.640 0.000 0.000 0.212 304 D C 1.414 177.681 176.300 -0.055 0.000 0.972 304 D CA 0.772 54.744 54.000 -0.046 0.000 0.887 304 D CB 0.213 41.001 40.800 -0.020 0.000 0.915 304 D HN 0.271 nan 8.370 nan 0.000 0.497 305 L N -0.280 120.922 121.223 -0.035 0.000 2.500 305 L HA 0.032 4.372 4.340 0.000 0.000 0.219 305 L C 2.320 179.167 176.870 -0.038 0.000 1.057 305 L CA 0.326 55.155 54.840 -0.018 0.000 0.854 305 L CB -0.323 41.745 42.059 0.014 0.000 1.078 305 L HN -0.096 nan 8.230 nan 0.000 0.480 306 V N 0.468 120.355 119.914 -0.045 0.000 2.221 306 V HA -0.274 3.846 4.120 0.000 0.000 0.242 306 V C 2.796 178.857 176.094 -0.054 0.000 1.041 306 V CA 2.440 64.711 62.300 -0.047 0.000 0.995 306 V CB -0.902 30.888 31.823 -0.054 0.000 0.635 306 V HN 0.580 nan 8.190 nan 0.000 0.448 307 T N -2.235 112.282 114.554 -0.061 0.000 2.665 307 T HA -0.301 4.050 4.350 0.000 0.000 0.268 307 T C 1.795 176.439 174.700 -0.093 0.000 1.035 307 T CA 2.459 64.520 62.100 -0.065 0.000 1.151 307 T CB -1.072 67.757 68.868 -0.065 0.000 0.862 307 T HN 0.445 nan 8.240 nan 0.000 0.438 308 T N 2.367 116.835 114.554 -0.144 0.000 2.580 308 T HA -0.004 4.346 4.350 0.000 0.000 0.265 308 T C 1.964 176.546 174.700 -0.197 0.000 1.063 308 T CA 1.724 63.678 62.100 -0.243 0.000 1.170 308 T CB -0.676 67.925 68.868 -0.444 0.000 0.863 308 T HN 0.296 nan 8.240 nan 0.000 0.418 309 L N 0.463 121.603 121.223 -0.139 0.000 1.989 309 L HA -0.061 4.279 4.340 0.000 0.000 0.211 309 L C 3.064 179.934 176.870 -0.001 0.000 1.071 309 L CA 1.579 56.398 54.840 -0.035 0.000 0.749 309 L CB -1.098 40.972 42.059 0.018 0.000 0.890 309 L HN 0.407 nan 8.230 nan 0.000 0.431 310 G N -0.617 108.176 108.800 -0.012 0.000 2.469 310 G HA2 -0.239 3.721 3.960 0.000 0.000 0.220 310 G HA3 -0.239 3.721 3.960 0.000 0.000 0.220 310 G C 1.526 176.439 174.900 0.023 0.000 1.136 310 G CA 0.883 45.985 45.100 0.005 0.000 0.759 310 G HN 0.527 nan 8.290 nan 0.000 0.562 311 G N 0.984 109.786 108.800 0.003 0.000 2.404 311 G HA2 0.089 4.049 3.960 0.000 0.000 0.215 311 G HA3 0.089 4.049 3.960 0.000 0.000 0.215 311 G C 2.079 177.039 174.900 0.100 0.000 1.174 311 G CA 1.403 46.519 45.100 0.027 0.000 0.780 311 G HN 0.641 nan 8.290 nan 0.000 0.537 312 A N 0.283 123.152 122.820 0.081 0.000 1.978 312 A HA 0.054 4.374 4.320 0.000 0.000 0.220 312 A C 2.373 180.117 177.584 0.266 0.000 1.170 312 A CA 1.292 53.460 52.037 0.219 0.000 0.636 312 A CB -0.364 18.720 19.000 0.141 0.000 0.810 312 A HN 0.378 nan 8.150 nan 0.000 0.448 313 L N -0.933 120.371 121.223 0.136 0.000 2.109 313 L HA -0.052 4.288 4.340 0.000 0.000 0.207 313 L C 2.443 179.346 176.870 0.055 0.000 1.086 313 L CA 0.841 55.728 54.840 0.078 0.000 0.760 313 L CB -0.200 41.886 42.059 0.046 0.000 0.910 313 L HN 0.406 nan 8.230 nan 0.000 0.437 314 L N -1.679 119.602 121.223 0.096 0.000 2.141 314 L HA -0.244 4.096 4.340 0.000 0.000 0.209 314 L C 2.312 179.253 176.870 0.118 0.000 1.094 314 L CA 1.256 56.161 54.840 0.108 0.000 0.763 314 L CB -0.506 41.630 42.059 0.129 0.000 0.908 314 L HN 0.489 nan 8.230 nan 0.000 0.437 315 W N 0.379 121.667 121.300 -0.019 0.000 2.409 315 W HA -0.170 4.490 4.660 0.000 0.000 0.299 315 W C 2.180 178.672 176.519 -0.045 0.000 1.203 315 W CA 1.026 58.359 57.345 -0.021 0.000 1.298 315 W CB -0.194 29.257 29.460 -0.015 0.000 1.127 315 W HN -0.070 nan 8.180 nan 0.000 0.528 316 L N 1.215 122.286 121.223 -0.254 0.000 2.156 316 L HA -0.136 4.204 4.340 0.000 0.000 0.208 316 L C 2.553 179.196 176.870 -0.380 0.000 1.095 316 L CA 1.913 56.451 54.840 -0.503 0.000 0.770 316 L CB -0.924 41.001 42.059 -0.223 0.000 0.914 316 L HN 0.214 nan 8.230 nan 0.000 0.439 317 S N -0.902 114.612 115.700 -0.310 0.000 2.515 317 S HA -0.004 4.466 4.470 0.000 0.000 0.231 317 S C 1.392 175.644 174.600 -0.578 0.000 0.987 317 S CA 0.637 58.587 58.200 -0.416 0.000 0.936 317 S CB 0.009 62.931 63.200 -0.464 0.000 0.766 317 S HN 0.600 nan 8.310 nan 0.000 0.528 318 G N 0.601 109.131 108.800 -0.451 0.000 2.130 318 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 318 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 318 G C 0.077 174.916 174.900 -0.103 0.000 0.999 318 G CA 0.265 45.186 45.100 -0.298 0.000 0.686 318 G HN 0.731 nan 8.290 nan 0.000 0.515 319 H N -0.305 118.751 119.070 -0.023 0.000 2.592 319 H HA 0.624 5.180 4.556 0.000 0.000 0.279 319 H C 1.007 176.362 175.328 0.045 0.000 1.089 319 H CA 0.363 56.416 56.048 0.009 0.000 1.150 319 H CB 0.901 30.665 29.762 0.002 0.000 1.575 319 H HN 0.784 nan 8.280 nan 0.000 0.547 320 A N -0.293 122.636 122.820 0.182 0.000 2.594 320 A HA 0.550 4.870 4.320 0.000 0.000 0.295 320 A C 0.910 178.650 177.584 0.261 0.000 1.071 320 A CA -0.194 51.962 52.037 0.200 0.000 0.685 320 A CB 0.965 20.100 19.000 0.225 0.000 1.285 320 A HN 0.258 nan 8.150 nan 0.000 0.405 321 G N -0.526 108.403 108.800 0.215 0.000 2.437 321 G HA2 0.360 4.320 3.960 0.000 0.000 0.212 321 G HA3 0.360 4.320 3.960 0.000 0.000 0.212 321 G C 0.749 175.812 174.900 0.272 0.000 1.174 321 G CA 1.366 46.602 45.100 0.228 0.000 0.811 321 G HN 1.041 nan 8.290 nan 0.000 0.537 322 T N -0.467 114.158 114.554 0.118 0.000 2.925 322 T HA 0.341 4.691 4.350 0.000 0.000 0.285 322 T C 1.282 175.889 174.700 -0.154 0.000 1.021 322 T CA -0.358 61.696 62.100 -0.076 0.000 1.042 322 T CB 1.699 70.524 68.868 -0.072 0.000 1.037 322 T HN 0.239 nan 8.240 nan 0.000 0.481 323 Q N 2.152 121.672 119.800 -0.467 0.000 2.084 323 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 323 Q C 2.503 178.416 176.000 -0.145 0.000 0.978 323 Q CA 1.553 57.145 55.803 -0.352 0.000 0.844 323 Q CB -0.389 28.042 28.738 -0.512 0.000 0.898 323 Q HN 0.849 nan 8.270 nan 0.000 0.426 324 A N 1.442 124.171 122.820 -0.152 0.000 1.917 324 A HA -0.319 4.001 4.320 0.000 0.000 0.219 324 A C 2.064 179.620 177.584 -0.045 0.000 1.182 324 A CA 1.898 53.879 52.037 -0.094 0.000 0.633 324 A CB -0.730 18.217 19.000 -0.088 0.000 0.819 324 A HN 0.453 nan 8.150 nan 0.000 0.448 325 Q N -0.735 119.054 119.800 -0.020 0.000 2.096 325 Q HA -0.137 4.203 4.340 0.000 0.000 0.204 325 Q C 2.071 178.086 176.000 0.025 0.000 0.982 325 Q CA 1.806 57.616 55.803 0.012 0.000 0.850 325 Q CB -0.533 28.230 28.738 0.041 0.000 0.901 325 Q HN 0.596 nan 8.270 nan 0.000 0.422 326 G N 0.323 109.150 108.800 0.045 0.000 2.433 326 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 326 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 326 G C 1.497 176.406 174.900 0.015 0.000 1.186 326 G CA 0.946 46.078 45.100 0.054 0.000 0.779 326 G HN 0.511 nan 8.290 nan 0.000 0.543 327 A N 1.154 123.966 122.820 -0.012 0.000 1.986 327 A HA 0.113 4.433 4.320 0.000 0.000 0.220 327 A C 2.782 180.348 177.584 -0.030 0.000 1.171 327 A CA 2.496 54.511 52.037 -0.037 0.000 0.640 327 A CB -0.761 18.197 19.000 -0.069 0.000 0.811 327 A HN 0.856 nan 8.150 nan 0.000 0.451 328 A N -0.257 122.550 122.820 -0.022 0.000 1.858 328 A HA -0.164 4.156 4.320 0.000 0.000 0.216 328 A C 2.226 179.802 177.584 -0.013 0.000 1.190 328 A CA 1.447 53.473 52.037 -0.018 0.000 0.617 328 A CB -0.469 18.523 19.000 -0.013 0.000 0.827 328 A HN 0.531 nan 8.150 nan 0.000 0.443 329 R N -0.502 119.995 120.500 -0.004 0.000 2.237 329 R HA -0.021 4.319 4.340 0.000 0.000 0.219 329 R C 1.692 177.987 176.300 -0.008 0.000 1.080 329 R CA 1.151 57.249 56.100 -0.003 0.000 0.995 329 R CB -0.339 29.965 30.300 0.006 0.000 0.875 329 R HN 0.437 nan 8.270 nan 0.000 0.462 330 V N 0.386 120.294 119.914 -0.011 0.000 3.041 330 V HA -0.071 4.049 4.120 0.000 0.000 0.260 330 V C 2.211 178.290 176.094 -0.025 0.000 1.105 330 V CA 1.530 63.819 62.300 -0.018 0.000 1.125 330 V CB -0.068 31.742 31.823 -0.022 0.000 0.730 330 V HN 0.296 nan 8.190 nan 0.000 0.479 331 A N 0.204 123.010 122.820 -0.025 0.000 1.903 331 A HA 0.164 4.484 4.320 0.000 0.000 0.213 331 A C 2.421 179.992 177.584 -0.022 0.000 1.185 331 A CA 1.380 53.401 52.037 -0.027 0.000 0.628 331 A CB -0.584 18.400 19.000 -0.027 0.000 0.830 331 A HN 0.476 nan 8.150 nan 0.000 0.446 332 A N 0.428 123.237 122.820 -0.018 0.000 1.859 332 A HA 0.046 4.366 4.320 0.000 0.000 0.217 332 A C 2.476 180.051 177.584 -0.015 0.000 1.198 332 A CA 2.424 54.452 52.037 -0.015 0.000 0.629 332 A CB -1.230 17.763 19.000 -0.012 0.000 0.830 332 A HN 1.184 nan 8.150 nan 0.000 0.446 333 A N -0.953 121.858 122.820 -0.015 0.000 2.131 333 A HA 0.045 4.365 4.320 0.000 0.000 0.220 333 A C 2.016 179.588 177.584 -0.019 0.000 1.158 333 A CA 1.392 53.420 52.037 -0.015 0.000 0.665 333 A CB -0.513 18.478 19.000 -0.015 0.000 0.795 333 A HN 0.502 nan 8.150 nan 0.000 0.460 334 L N -1.106 120.102 121.223 -0.025 0.000 2.375 334 L HA -0.014 4.326 4.340 0.000 0.000 0.215 334 L C 1.399 178.253 176.870 -0.026 0.000 1.108 334 L CA 0.738 55.559 54.840 -0.032 0.000 0.830 334 L CB -0.175 41.861 42.059 -0.038 0.000 0.959 334 L HN 0.363 nan 8.230 nan 0.000 0.457 335 D N -0.330 120.058 120.400 -0.020 0.000 2.490 335 D HA -0.095 4.545 4.640 0.000 0.000 0.244 335 D C 1.202 177.495 176.300 -0.011 0.000 0.979 335 D CA 0.870 54.860 54.000 -0.016 0.000 0.924 335 D CB -0.128 40.662 40.800 -0.015 0.000 1.075 335 D HN 0.344 nan 8.370 nan 0.000 0.488 336 D N 0.466 120.861 120.400 -0.009 0.000 2.378 336 D HA 0.075 4.715 4.640 0.000 0.000 0.227 336 D C 1.489 177.788 176.300 -0.001 0.000 1.012 336 D CA 0.814 54.811 54.000 -0.005 0.000 0.905 336 D CB -0.332 40.464 40.800 -0.005 0.000 0.895 336 D HN 0.266 nan 8.370 nan 0.000 0.532 337 G N -0.599 108.200 108.800 -0.002 0.000 2.143 337 G HA2 -0.350 3.610 3.960 0.000 0.000 0.248 337 G HA3 -0.350 3.610 3.960 0.000 0.000 0.248 337 G C 1.176 176.084 174.900 0.012 0.000 0.991 337 G CA 0.543 45.647 45.100 0.006 0.000 0.689 337 G HN 0.353 nan 8.290 nan 0.000 0.522 338 S N 0.044 115.747 115.700 0.006 0.000 2.348 338 S HA 0.221 4.692 4.470 0.000 0.000 0.219 338 S C 2.842 177.452 174.600 0.017 0.000 1.033 338 S CA 1.711 59.916 58.200 0.009 0.000 0.974 338 S CB -0.375 62.825 63.200 -0.001 0.000 0.868 338 S HN 1.403 nan 8.310 nan 0.000 0.459 339 A N 2.432 125.256 122.820 0.006 0.000 1.865 339 A HA -0.068 4.252 4.320 0.000 0.000 0.217 339 A C 2.070 179.677 177.584 0.038 0.000 1.191 339 A CA 1.378 53.418 52.037 0.005 0.000 0.623 339 A CB -1.015 17.968 19.000 -0.029 0.000 0.826 339 A HN 0.454 nan 8.150 nan 0.000 0.444 340 L N -0.256 120.983 121.223 0.026 0.000 2.189 340 L HA -0.158 4.182 4.340 0.000 0.000 0.214 340 L C 2.059 179.015 176.870 0.144 0.000 1.097 340 L CA 2.360 57.243 54.840 0.071 0.000 0.764 340 L CB -1.325 40.757 42.059 0.038 0.000 0.900 340 L HN 0.418 nan 8.230 nan 0.000 0.436 341 G N -0.666 108.190 108.800 0.093 0.000 2.408 341 G HA2 -0.231 3.729 3.960 0.000 0.000 0.213 341 G HA3 -0.231 3.729 3.960 0.000 0.000 0.213 341 G C 1.562 176.514 174.900 0.087 0.000 1.177 341 G CA 0.238 45.386 45.100 0.079 0.000 0.802 341 G HN 0.238 nan 8.290 nan 0.000 0.533 342 R N -0.228 120.323 120.500 0.084 0.000 2.127 342 R HA -0.004 4.336 4.340 0.000 0.000 0.238 342 R C 2.039 178.417 176.300 0.130 0.000 1.134 342 R CA 0.601 56.745 56.100 0.073 0.000 0.975 342 R CB -0.899 29.432 30.300 0.052 0.000 0.865 342 R HN 0.373 nan 8.270 nan 0.000 0.447 343 F N 1.289 121.242 119.950 0.006 0.000 2.069 343 F HA -0.188 4.339 4.527 0.000 0.000 0.298 343 F C 2.135 177.957 175.800 0.038 0.000 1.113 343 F CA 2.012 60.026 58.000 0.024 0.000 1.214 343 F CB -0.493 38.517 39.000 0.016 0.000 0.978 343 F HN 0.151 nan 8.300 nan 0.000 0.474 344 E N -0.011 120.176 120.200 -0.022 0.000 2.153 344 E HA -0.232 4.118 4.350 0.000 0.000 0.194 344 E C 2.285 178.819 176.600 -0.110 0.000 0.988 344 E CA 1.106 57.430 56.400 -0.127 0.000 0.811 344 E CB -0.092 29.593 29.700 -0.025 0.000 0.746 344 E HN 0.446 nan 8.360 nan 0.000 0.466 345 R N -0.177 120.293 120.500 -0.050 0.000 2.189 345 R HA -0.073 4.267 4.340 0.000 0.000 0.223 345 R C 2.348 178.611 176.300 -0.062 0.000 1.092 345 R CA 1.280 57.354 56.100 -0.043 0.000 0.989 345 R CB -0.196 30.094 30.300 -0.016 0.000 0.876 345 R HN 0.326 nan 8.270 nan 0.000 0.457 346 M N 0.401 119.957 119.600 -0.074 0.000 2.325 346 M HA -0.012 4.468 4.480 0.000 0.000 0.265 346 M C 1.888 178.116 176.300 -0.119 0.000 1.094 346 M CA 1.187 56.451 55.300 -0.059 0.000 1.161 346 M CB 0.213 32.833 32.600 0.033 0.000 1.358 346 M HN 0.118 nan 8.290 nan 0.000 0.446 347 L N 0.492 121.597 121.223 -0.198 0.000 2.043 347 L HA -0.200 4.140 4.340 0.000 0.000 0.212 347 L C 2.525 179.296 176.870 -0.165 0.000 1.075 347 L CA 1.599 56.342 54.840 -0.162 0.000 0.752 347 L CB -0.743 41.143 42.059 -0.289 0.000 0.891 347 L HN 0.430 nan 8.230 nan 0.000 0.432 348 A N -1.037 121.697 122.820 -0.143 0.000 2.132 348 A HA 0.173 4.493 4.320 0.000 0.000 0.213 348 A C 2.392 179.900 177.584 -0.126 0.000 1.154 348 A CA 0.910 52.877 52.037 -0.117 0.000 0.753 348 A CB -0.282 18.670 19.000 -0.081 0.000 0.826 348 A HN 0.365 nan 8.150 nan 0.000 0.469 349 A N 0.171 122.910 122.820 -0.135 0.000 1.930 349 A HA -0.106 4.214 4.320 0.000 0.000 0.217 349 A C 1.527 179.011 177.584 -0.165 0.000 1.175 349 A CA 1.290 53.257 52.037 -0.117 0.000 0.627 349 A CB -0.316 18.631 19.000 -0.088 0.000 0.815 349 A HN 0.634 nan 8.150 nan 0.000 0.443 350 Q N -0.597 119.029 119.800 -0.291 0.000 2.553 350 Q HA 0.459 4.799 4.340 0.000 0.000 0.395 350 Q C 0.186 175.933 176.000 -0.421 0.000 0.971 350 Q CA -0.197 55.371 55.803 -0.392 0.000 1.090 350 Q CB -0.019 28.351 28.738 -0.614 0.000 1.328 350 Q HN 0.670 nan 8.270 nan 0.000 0.413 351 G N 0.663 109.318 108.800 -0.242 0.000 2.460 351 G HA2 -0.171 3.789 3.960 0.000 0.000 0.259 351 G HA3 -0.171 3.789 3.960 0.000 0.000 0.259 351 G C -0.443 174.382 174.900 -0.126 0.000 0.959 351 G CA -0.197 44.809 45.100 -0.157 0.000 1.330 351 G HN 0.343 nan 8.290 nan 0.000 0.451 352 V N 2.890 122.747 119.914 -0.094 0.000 2.610 352 V HA 0.342 4.462 4.120 0.000 0.000 0.298 352 V C 0.296 176.366 176.094 -0.041 0.000 1.067 352 V CA -1.029 61.244 62.300 -0.045 0.000 0.894 352 V CB 1.792 33.601 31.823 -0.023 0.000 1.015 352 V HN 0.834 nan 8.190 nan 0.000 0.432 353 D N 6.290 126.674 120.400 -0.026 0.000 2.908 353 D HA -0.066 4.574 4.640 0.000 0.000 0.215 353 D C -1.470 174.813 176.300 -0.028 0.000 1.095 353 D CA -0.263 53.723 54.000 -0.025 0.000 0.812 353 D CB 1.668 42.459 40.800 -0.015 0.000 1.180 353 D HN 0.263 nan 8.370 nan 0.000 0.512 354 P HA -0.030 nan 4.420 nan 0.000 0.218 354 P C 1.199 178.487 177.300 -0.021 0.000 1.149 354 P CA 1.572 64.655 63.100 -0.028 0.000 0.817 354 P CB 0.078 31.764 31.700 -0.024 0.000 0.785 355 G N 0.172 108.963 108.800 -0.015 0.000 2.394 355 G HA2 -0.182 3.778 3.960 0.000 0.000 0.214 355 G HA3 -0.182 3.778 3.960 0.000 0.000 0.214 355 G C 1.409 176.304 174.900 -0.008 0.000 1.176 355 G CA 0.107 45.201 45.100 -0.010 0.000 0.786 355 G HN 0.191 nan 8.290 nan 0.000 0.533 356 L N 1.227 122.445 121.223 -0.008 0.000 2.127 356 L HA -0.005 4.335 4.340 0.000 0.000 0.211 356 L C 2.879 179.746 176.870 -0.005 0.000 1.089 356 L CA 2.278 57.116 54.840 -0.004 0.000 0.757 356 L CB -0.956 41.102 42.059 -0.002 0.000 0.899 356 L HN 0.300 nan 8.230 nan 0.000 0.434 357 A N 0.069 122.878 122.820 -0.019 0.000 1.854 357 A HA -0.228 4.092 4.320 0.000 0.000 0.214 357 A C 2.313 179.888 177.584 -0.015 0.000 1.192 357 A CA 1.401 53.417 52.037 -0.034 0.000 0.611 357 A CB -0.543 18.418 19.000 -0.064 0.000 0.832 357 A HN 0.419 nan 8.150 nan 0.000 0.442 358 R N 0.572 121.065 120.500 -0.011 0.000 2.083 358 R HA -0.080 4.260 4.340 0.000 0.000 0.237 358 R C 2.088 178.395 176.300 0.011 0.000 1.137 358 R CA 2.298 58.399 56.100 0.001 0.000 0.951 358 R CB -1.120 29.178 30.300 -0.002 0.000 0.851 358 R HN 0.383 nan 8.270 nan 0.000 0.434 359 A N 0.287 123.112 122.820 0.009 0.000 1.898 359 A HA -0.082 4.238 4.320 0.000 0.000 0.216 359 A C 2.134 179.731 177.584 0.022 0.000 1.181 359 A CA 1.448 53.493 52.037 0.012 0.000 0.620 359 A CB -0.683 18.322 19.000 0.008 0.000 0.819 359 A HN 0.366 nan 8.150 nan 0.000 0.442 360 L N -0.207 121.032 121.223 0.026 0.000 2.056 360 L HA -0.044 4.296 4.340 0.000 0.000 0.207 360 L C 1.333 178.247 176.870 0.073 0.000 1.078 360 L CA 1.064 55.931 54.840 0.046 0.000 0.749 360 L CB -0.560 41.528 42.059 0.048 0.000 0.901 360 L HN 0.474 nan 8.230 nan 0.000 0.433 364 S N 1.151 116.857 115.700 0.010 0.000 2.775 364 S HA 0.335 4.805 4.470 0.000 0.000 0.250 364 S C -1.565 173.038 174.600 0.006 0.000 1.391 364 S CA 0.740 58.944 58.200 0.006 0.000 0.972 364 S CB 0.951 64.153 63.200 0.003 0.000 0.963 364 S HN 0.293 nan 8.310 nan 0.000 0.570 365 P HA 0.360 nan 4.420 nan 0.000 0.203 365 P C 1.870 179.168 177.300 -0.003 0.000 1.106 365 P CA 1.416 64.515 63.100 -0.001 0.000 0.918 365 P CB -0.510 31.187 31.700 -0.004 0.000 0.754 366 A N 0.755 123.573 122.820 -0.004 0.000 1.935 366 A HA -0.366 3.954 4.320 0.000 0.000 0.224 366 A C 2.317 179.897 177.584 -0.007 0.000 1.324 366 A CA 2.921 54.955 52.037 -0.006 0.000 0.686 366 A CB -1.848 17.150 19.000 -0.004 0.000 0.837 366 A HN 0.231 nan 8.150 nan 0.000 0.481 367 E N -0.553 119.645 120.200 -0.003 0.000 2.130 367 E HA -0.232 4.118 4.350 0.000 0.000 0.196 367 E C 1.972 178.571 176.600 -0.002 0.000 0.998 367 E CA 1.790 58.190 56.400 -0.001 0.000 0.806 367 E CB -0.230 29.472 29.700 0.003 0.000 0.738 367 E HN 0.525 nan 8.360 nan 0.000 0.459 368 R N 0.291 120.791 120.500 -0.000 0.000 2.122 368 R HA -0.036 4.304 4.340 0.000 0.000 0.236 368 R C 1.896 178.188 176.300 -0.012 0.000 1.129 368 R CA 1.941 58.042 56.100 0.001 0.000 0.925 368 R CB -0.535 29.765 30.300 0.000 0.000 0.850 368 R HN 0.108 nan 8.270 nan 0.000 0.431 369 R N 0.626 121.111 120.500 -0.026 0.000 2.416 369 R HA -0.100 4.240 4.340 0.000 0.000 0.207 369 R C 0.955 177.233 176.300 -0.037 0.000 1.220 369 R CA 0.413 56.486 56.100 -0.046 0.000 1.194 369 R CB 0.001 30.265 30.300 -0.060 0.000 0.892 369 R HN 0.311 nan 8.270 nan 0.000 0.481 370 Q N -1.405 118.382 119.800 -0.021 0.000 2.631 370 Q HA 0.093 4.433 4.340 0.000 0.000 0.220 370 Q C 1.593 177.587 176.000 -0.011 0.000 0.819 370 Q CA 0.433 56.227 55.803 -0.016 0.000 0.914 370 Q CB -0.072 28.660 28.738 -0.010 0.000 1.248 370 Q HN 0.180 nan 8.270 nan 0.000 0.629 371 L N 0.881 122.101 121.223 -0.004 0.000 2.291 371 L HA 0.023 4.363 4.340 0.000 0.000 0.214 371 L C 1.074 177.946 176.870 0.003 0.000 1.120 371 L CA 1.003 55.844 54.840 0.002 0.000 0.799 371 L CB -0.447 41.617 42.059 0.009 0.000 0.925 371 L HN -0.013 nan 8.230 nan 0.000 0.446 372 L N -0.329 120.893 121.223 -0.001 0.000 2.360 372 L HA 0.356 4.696 4.340 0.000 0.000 0.271 372 L C -2.077 174.785 176.870 -0.013 0.000 1.057 372 L CA -2.028 52.811 54.840 -0.001 0.000 0.803 372 L CB 0.592 42.651 42.059 -0.000 0.000 1.207 372 L HN -0.222 nan 8.230 nan 0.000 0.445 373 P HA 0.152 nan 4.420 nan 0.000 0.276 373 P C -1.339 175.941 177.300 -0.033 0.000 1.264 373 P CA -0.229 62.861 63.100 -0.016 0.000 0.769 373 P CB 0.365 32.060 31.700 -0.008 0.000 0.840 374 R N 2.533 123.003 120.500 -0.050 0.000 2.664 374 R HA 0.843 5.183 4.340 0.000 0.000 0.286 374 R C -0.204 176.061 176.300 -0.058 0.000 0.967 374 R CA -1.154 54.892 56.100 -0.091 0.000 0.933 374 R CB 1.144 31.366 30.300 -0.130 0.000 1.146 374 R HN 0.281 nan 8.270 nan 0.000 0.468 375 A N 1.815 124.603 122.820 -0.053 0.000 2.455 375 A HA 0.013 4.333 4.320 0.000 0.000 0.244 375 A C 1.193 178.781 177.584 0.008 0.000 1.099 375 A CA 0.036 52.076 52.037 0.005 0.000 0.786 375 A CB 0.147 19.188 19.000 0.068 0.000 1.051 375 A HN 1.026 nan 8.150 nan 0.000 0.508 376 R N -0.539 119.971 120.500 0.017 0.000 2.066 376 R HA -0.057 4.283 4.340 0.000 0.000 0.232 376 R C 0.539 176.851 176.300 0.021 0.000 1.131 376 R CA 1.922 58.030 56.100 0.013 0.000 0.955 376 R CB 0.019 30.326 30.300 0.011 0.000 0.851 376 R HN 0.848 nan 8.270 nan 0.000 0.432 377 E N -1.078 119.142 120.200 0.034 0.000 2.446 377 E HA 0.235 4.585 4.350 0.000 0.000 0.276 377 E C -1.685 174.951 176.600 0.060 0.000 0.969 377 E CA -0.697 55.725 56.400 0.036 0.000 0.800 377 E CB 1.982 31.694 29.700 0.019 0.000 1.341 377 E HN 0.133 nan 8.360 nan 0.000 0.460 378 Q N 0.660 120.489 119.800 0.047 0.000 2.433 378 Q HA 0.522 4.862 4.340 0.000 0.000 0.279 378 Q C -1.116 174.866 176.000 -0.030 0.000 1.105 378 Q CA -0.857 54.963 55.803 0.028 0.000 0.815 378 Q CB 2.647 31.434 28.738 0.081 0.000 1.403 378 Q HN 0.362 nan 8.270 nan 0.000 0.435 379 E N 0.584 120.730 120.200 -0.089 0.000 2.416 379 E HA 0.362 4.712 4.350 0.000 0.000 0.273 379 E C -1.363 175.153 176.600 -0.140 0.000 0.935 379 E CA -0.600 55.745 56.400 -0.091 0.000 0.784 379 E CB 2.226 31.876 29.700 -0.083 0.000 1.301 379 E HN 0.423 nan 8.360 nan 0.000 0.454 380 E N 2.065 122.196 120.200 -0.116 0.000 2.460 380 E HA 0.206 4.556 4.350 0.000 0.000 0.249 380 E C -0.832 175.692 176.600 -0.128 0.000 0.962 380 E CA -0.498 55.814 56.400 -0.147 0.000 0.787 380 E CB 1.038 30.681 29.700 -0.094 0.000 1.341 380 E HN 0.141 nan 8.360 nan 0.000 0.407 381 L N 3.302 124.389 121.223 -0.227 0.000 2.540 381 L HA 0.127 4.467 4.340 0.000 0.000 0.276 381 L C 0.144 177.068 176.870 0.089 0.000 1.212 381 L CA 0.780 55.562 54.840 -0.096 0.000 0.893 381 L CB -0.369 41.555 42.059 -0.225 0.000 1.138 381 L HN 0.542 nan 8.230 nan 0.000 0.491 382 L N 2.876 124.245 121.223 0.244 0.000 2.307 382 L HA 0.435 4.775 4.340 0.000 0.000 0.282 382 L C 0.722 177.797 176.870 0.341 0.000 1.051 382 L CA -0.775 54.229 54.840 0.272 0.000 0.804 382 L CB 1.455 43.592 42.059 0.130 0.000 1.197 382 L HN 0.718 nan 8.230 nan 0.000 0.431 383 A N 5.479 128.469 122.820 0.283 0.000 2.553 383 A HA 0.123 4.443 4.320 0.000 0.000 0.258 383 A C -1.215 176.362 177.584 -0.011 0.000 1.069 383 A CA -0.769 51.289 52.037 0.036 0.000 0.767 383 A CB -0.364 18.653 19.000 0.028 0.000 0.997 383 A HN 0.647 nan 8.150 nan 0.000 0.512 384 P HA -0.047 nan 4.420 nan 0.000 0.216 384 P C 0.514 177.787 177.300 -0.044 0.000 1.150 384 P CA 2.215 65.284 63.100 -0.052 0.000 0.837 384 P CB 0.209 31.856 31.700 -0.088 0.000 0.786 385 A N -1.222 121.560 122.820 -0.064 0.000 2.557 385 A HA 0.476 4.796 4.320 0.000 0.000 0.292 385 A C -1.564 175.994 177.584 -0.043 0.000 1.139 385 A CA -0.647 51.364 52.037 -0.043 0.000 0.665 385 A CB 0.144 19.119 19.000 -0.042 0.000 1.285 385 A HN -0.137 nan 8.150 nan 0.000 0.433 386 D N -0.598 119.786 120.400 -0.027 0.000 2.339 386 D HA 0.541 5.181 4.640 0.000 0.000 0.245 386 D C 0.464 176.749 176.300 -0.024 0.000 1.115 386 D CA 1.823 55.811 54.000 -0.020 0.000 0.917 386 D CB 1.164 41.959 40.800 -0.010 0.000 1.192 386 D HN 1.205 nan 8.370 nan 0.000 0.428 387 G N -0.158 108.632 108.800 -0.018 0.000 2.352 387 G HA2 0.269 4.229 3.960 0.000 0.000 0.302 387 G HA3 0.269 4.229 3.960 0.000 0.000 0.302 387 G C -1.042 173.858 174.900 -0.001 0.000 1.370 387 G CA -0.947 44.146 45.100 -0.012 0.000 0.918 387 G HN 0.374 nan 8.290 nan 0.000 0.610 388 T N 0.335 114.905 114.554 0.026 0.000 2.882 388 T HA 0.466 4.816 4.350 0.000 0.000 0.287 388 T C 0.579 175.306 174.700 0.045 0.000 0.992 388 T CA -0.307 61.828 62.100 0.058 0.000 1.076 388 T CB 1.678 70.635 68.868 0.150 0.000 0.961 388 T HN 0.737 nan 8.240 nan 0.000 0.490 389 V N 4.455 124.376 119.914 0.010 0.000 2.341 389 V HA 0.054 4.174 4.120 0.000 0.000 0.248 389 V C 1.584 177.703 176.094 0.041 0.000 1.107 389 V CA 0.102 62.394 62.300 -0.013 0.000 1.069 389 V CB -0.035 31.765 31.823 -0.037 0.000 1.177 389 V HN 0.865 nan 8.190 nan 0.000 0.492 390 E N 3.249 123.515 120.200 0.109 0.000 2.274 390 E HA 0.071 4.421 4.350 0.000 0.000 0.194 390 E C 0.259 176.958 176.600 0.164 0.000 0.996 390 E CA 0.581 57.124 56.400 0.239 0.000 0.840 390 E CB 0.487 30.275 29.700 0.146 0.000 0.772 390 E HN 0.688 nan 8.360 nan 0.000 0.491 391 L N -2.322 118.939 121.223 0.063 0.000 3.028 391 L HA 0.150 4.490 4.340 0.000 0.000 0.244 391 L C -1.994 174.887 176.870 0.018 0.000 0.986 391 L CA -0.525 54.341 54.840 0.043 0.000 1.031 391 L CB 1.125 43.218 42.059 0.057 0.000 1.502 391 L HN -0.360 nan 8.230 nan 0.000 0.414 392 V N 2.609 122.547 119.914 0.040 0.000 2.444 392 V HA 0.524 4.644 4.120 0.000 0.000 0.294 392 V C -0.063 176.073 176.094 0.071 0.000 1.022 392 V CA -0.482 61.861 62.300 0.072 0.000 0.850 392 V CB 1.541 33.455 31.823 0.152 0.000 0.992 392 V HN 0.723 nan 8.190 nan 0.000 0.426 393 R N 3.071 123.612 120.500 0.068 0.000 2.404 393 R HA 0.372 4.712 4.340 0.000 0.000 0.315 393 R C 1.180 177.523 176.300 0.071 0.000 1.032 393 R CA 0.728 56.863 56.100 0.059 0.000 0.992 393 R CB 0.923 31.254 30.300 0.051 0.000 0.959 393 R HN 0.911 nan 8.270 nan 0.000 0.428 394 A N 4.891 127.743 122.820 0.054 0.000 1.898 394 A HA -0.122 4.198 4.320 0.000 0.000 0.214 394 A C 1.709 179.332 177.584 0.065 0.000 1.183 394 A CA 0.807 52.875 52.037 0.051 0.000 0.622 394 A CB -0.477 18.540 19.000 0.029 0.000 0.824 394 A HN 0.763 nan 8.150 nan 0.000 0.444 395 L N 0.597 121.860 121.223 0.067 0.000 1.971 395 L HA -0.110 4.230 4.340 0.000 0.000 0.215 395 L C -0.690 176.211 176.870 0.051 0.000 1.072 395 L CA 2.642 57.525 54.840 0.071 0.000 0.758 395 L CB -1.156 40.926 42.059 0.038 0.000 0.889 395 L HN 0.168 nan 8.230 nan 0.000 0.433 396 P HA -0.207 nan 4.420 nan 0.000 0.212 396 P C 1.910 179.246 177.300 0.061 0.000 1.178 396 P CA 1.520 64.650 63.100 0.049 0.000 0.915 396 P CB -0.239 31.499 31.700 0.063 0.000 0.788 397 L N -0.364 120.902 121.223 0.072 0.000 2.021 397 L HA -0.255 4.085 4.340 0.000 0.000 0.215 397 L C 2.171 179.071 176.870 0.050 0.000 1.074 397 L CA 2.502 57.377 54.840 0.058 0.000 0.760 397 L CB -1.594 40.499 42.059 0.058 0.000 0.889 397 L HN -0.083 nan 8.230 nan 0.000 0.433 398 A N -0.541 122.317 122.820 0.064 0.000 1.858 398 A HA -0.162 4.158 4.320 0.000 0.000 0.216 398 A C 2.268 179.911 177.584 0.097 0.000 1.190 398 A CA 1.948 54.035 52.037 0.084 0.000 0.617 398 A CB -0.981 18.094 19.000 0.125 0.000 0.827 398 A HN 0.512 nan 8.150 nan 0.000 0.443 399 L N -0.429 120.836 121.223 0.070 0.000 1.978 399 L HA -0.257 4.083 4.340 0.000 0.000 0.218 399 L C 2.619 179.547 176.870 0.097 0.000 1.075 399 L CA 1.846 56.718 54.840 0.054 0.000 0.767 399 L CB -0.865 41.198 42.059 0.008 0.000 0.890 399 L HN 0.291 nan 8.230 nan 0.000 0.434 400 V N -0.434 119.524 119.914 0.072 0.000 2.220 400 V HA -0.330 3.790 4.120 0.000 0.000 0.246 400 V C 2.429 178.570 176.094 0.078 0.000 1.049 400 V CA 1.721 64.061 62.300 0.065 0.000 1.003 400 V CB -0.577 31.269 31.823 0.039 0.000 0.634 400 V HN 0.268 nan 8.190 nan 0.000 0.444 401 L N -0.049 121.214 121.223 0.067 0.000 2.123 401 L HA -0.303 4.037 4.340 0.000 0.000 0.217 401 L C 2.442 179.372 176.870 0.100 0.000 1.081 401 L CA 2.586 57.465 54.840 0.065 0.000 0.772 401 L CB -1.168 40.924 42.059 0.055 0.000 0.890 401 L HN 0.612 nan 8.230 nan 0.000 0.437 402 H N -0.720 118.376 119.070 0.044 0.000 2.353 402 H HA -0.143 4.413 4.556 0.000 0.000 0.300 402 H C 2.145 177.499 175.328 0.043 0.000 1.090 402 H CA 2.076 58.157 56.048 0.055 0.000 1.327 402 H CB 0.140 29.938 29.762 0.060 0.000 1.383 402 H HN 0.488 nan 8.280 nan 0.000 0.508 403 E N 0.098 120.336 120.200 0.064 0.000 2.106 403 E HA -0.106 4.244 4.350 0.000 0.000 0.192 403 E C 1.880 178.455 176.600 -0.041 0.000 0.984 403 E CA 0.931 57.329 56.400 -0.003 0.000 0.806 403 E CB 0.014 29.744 29.700 0.049 0.000 0.750 403 E HN 0.523 nan 8.360 nan 0.000 0.458 404 L N -0.113 121.103 121.223 -0.012 0.000 2.633 404 L HA 0.006 4.346 4.340 0.000 0.000 0.235 404 L C 1.252 178.108 176.870 -0.023 0.000 1.163 404 L CA 0.609 55.443 54.840 -0.009 0.000 0.859 404 L CB -0.417 41.647 42.059 0.009 0.000 0.973 404 L HN 0.332 nan 8.230 nan 0.000 0.451 405 G N -0.584 108.175 108.800 -0.068 0.000 2.134 405 G HA2 -0.234 3.726 3.960 0.000 0.000 0.209 405 G HA3 -0.234 3.726 3.960 0.000 0.000 0.209 405 G C 0.625 175.507 174.900 -0.030 0.000 0.993 405 G CA 0.097 45.152 45.100 -0.074 0.000 0.669 405 G HN 0.420 nan 8.290 nan 0.000 0.519 406 A N -0.463 122.366 122.820 0.016 0.000 2.345 406 A HA 0.735 5.055 4.320 0.000 0.000 0.225 406 A C 1.272 178.992 177.584 0.226 0.000 1.243 406 A CA 1.404 53.541 52.037 0.166 0.000 0.875 406 A CB 0.137 19.230 19.000 0.156 0.000 0.929 406 A HN 1.919 nan 8.150 nan 0.000 0.502 407 G N -0.392 108.436 108.800 0.047 0.000 2.682 407 G HA2 0.557 4.517 3.960 0.000 0.000 0.290 407 G HA3 0.557 4.517 3.960 0.000 0.000 0.290 407 G C -0.973 173.902 174.900 -0.040 0.000 1.425 407 G CA -1.021 44.188 45.100 0.182 0.000 0.807 407 G HN 0.407 nan 8.290 nan 0.000 0.482 408 R N -1.047 119.571 120.500 0.197 0.000 2.604 408 R HA 0.803 5.143 4.340 0.000 0.000 0.287 408 R C 0.526 176.959 176.300 0.221 0.000 0.970 408 R CA -0.159 56.011 56.100 0.116 0.000 0.946 408 R CB 1.783 32.138 30.300 0.091 0.000 1.127 408 R HN 0.634 nan 8.270 nan 0.000 0.473 409 S N 0.917 116.685 115.700 0.114 0.000 2.731 409 S HA 0.205 4.675 4.470 0.000 0.000 0.244 409 S C 1.164 175.811 174.600 0.079 0.000 1.084 409 S CA 0.216 58.496 58.200 0.133 0.000 0.877 409 S CB 0.162 63.424 63.200 0.103 0.000 0.798 409 S HN 0.705 nan 8.310 nan 0.000 0.496 410 R N 1.300 121.832 120.500 0.053 0.000 2.407 410 R HA 0.858 5.198 4.340 0.000 0.000 0.303 410 R C 0.184 176.510 176.300 0.044 0.000 0.981 410 R CA -0.282 55.843 56.100 0.041 0.000 0.905 410 R CB -0.286 30.030 30.300 0.027 0.000 1.099 410 R HN 1.101 nan 8.270 nan 0.000 0.459 411 A N 0.734 123.581 122.820 0.045 0.000 2.548 411 A HA 0.467 4.787 4.320 0.000 0.000 0.247 411 A C 1.717 179.326 177.584 0.042 0.000 1.067 411 A CA 0.896 52.963 52.037 0.050 0.000 0.757 411 A CB -0.539 18.491 19.000 0.050 0.000 0.996 411 A HN 2.594 nan 8.150 nan 0.000 0.504 412 G N 1.473 110.300 108.800 0.046 0.000 2.155 412 G HA2 -0.291 3.669 3.960 0.000 0.000 0.257 412 G HA3 -0.291 3.669 3.960 0.000 0.000 0.257 412 G C 0.216 175.128 174.900 0.021 0.000 0.983 412 G CA 0.713 45.835 45.100 0.036 0.000 0.676 412 G HN 1.456 nan 8.290 nan 0.000 0.528 413 E N 0.983 121.194 120.200 0.019 0.000 2.408 413 E HA 0.473 4.823 4.350 0.000 0.000 0.259 413 E C -1.278 175.317 176.600 -0.009 0.000 1.110 413 E CA -1.113 55.290 56.400 0.005 0.000 0.929 413 E CB 0.556 30.258 29.700 0.004 0.000 0.971 413 E HN 0.204 nan 8.360 nan 0.000 0.438 414 P HA 0.062 nan 4.420 nan 0.000 0.282 414 P C -1.060 176.209 177.300 -0.052 0.000 1.273 414 P CA -0.122 62.959 63.100 -0.032 0.000 0.809 414 P CB 0.246 31.929 31.700 -0.028 0.000 1.246 415 L N -1.602 119.578 121.223 -0.071 0.000 3.055 415 L HA 0.153 4.493 4.340 0.000 0.000 0.261 415 L C -0.630 176.175 176.870 -0.108 0.000 0.939 415 L CA -0.109 54.667 54.840 -0.106 0.000 1.091 415 L CB 1.031 42.989 42.059 -0.170 0.000 1.690 415 L HN 0.200 nan 8.230 nan 0.000 0.520 416 R N 5.701 126.162 120.500 -0.066 0.000 2.606 416 R HA 0.177 4.517 4.340 0.000 0.000 0.276 416 R C 0.807 177.097 176.300 -0.017 0.000 1.416 416 R CA -0.229 55.851 56.100 -0.033 0.000 1.064 416 R CB -0.188 30.108 30.300 -0.007 0.000 1.117 416 R HN 0.640 nan 8.270 nan 0.000 0.543 417 L N 1.128 122.316 121.223 -0.057 0.000 2.189 417 L HA -0.164 4.176 4.340 0.000 0.000 0.214 417 L C 2.373 179.288 176.870 0.074 0.000 1.097 417 L CA 1.552 56.382 54.840 -0.016 0.000 0.764 417 L CB -0.627 41.410 42.059 -0.037 0.000 0.900 417 L HN 0.717 nan 8.230 nan 0.000 0.436 418 G N -0.023 108.797 108.800 0.033 0.000 2.408 418 G HA2 -0.062 3.898 3.960 0.000 0.000 0.217 418 G HA3 -0.062 3.898 3.960 0.000 0.000 0.217 418 G C 0.861 175.798 174.900 0.062 0.000 1.150 418 G CA 0.002 45.116 45.100 0.023 0.000 0.776 418 G HN 0.105 nan 8.290 nan 0.000 0.542 419 V N 0.619 120.584 119.914 0.086 0.000 3.178 419 V HA 0.525 4.645 4.120 0.000 0.000 0.306 419 V C 0.997 177.170 176.094 0.132 0.000 1.107 419 V CA 0.907 63.272 62.300 0.108 0.000 1.195 419 V CB 0.677 32.547 31.823 0.078 0.000 0.993 419 V HN 0.770 nan 8.190 nan 0.000 0.493 420 G N 1.284 110.153 108.800 0.115 0.000 2.343 420 G HA2 0.655 4.615 3.960 0.000 0.000 0.289 420 G HA3 0.655 4.615 3.960 0.000 0.000 0.289 420 G C -1.303 173.617 174.900 0.033 0.000 1.295 420 G CA 0.026 45.174 45.100 0.079 0.000 0.869 420 G HN 1.373 nan 8.290 nan 0.000 0.522 421 A N -0.708 122.106 122.820 -0.010 0.000 2.539 421 A HA 0.878 5.198 4.320 0.000 0.000 0.296 421 A C -0.916 176.611 177.584 -0.095 0.000 1.073 421 A CA -0.457 51.510 52.037 -0.116 0.000 0.700 421 A CB 1.864 20.784 19.000 -0.132 0.000 1.296 421 A HN 0.629 nan 8.150 nan 0.000 0.405 422 E N 0.909 121.005 120.200 -0.172 0.000 2.210 422 E HA 0.444 4.794 4.350 0.000 0.000 0.266 422 E C -1.401 175.112 176.600 -0.145 0.000 0.883 422 E CA -0.523 55.812 56.400 -0.108 0.000 0.761 422 E CB 2.086 31.745 29.700 -0.067 0.000 1.156 422 E HN 0.547 nan 8.360 nan 0.000 0.412 423 L N 5.180 126.354 121.223 -0.082 0.000 2.282 423 L HA 0.202 4.542 4.340 0.000 0.000 0.287 423 L C 1.327 178.185 176.870 -0.019 0.000 1.075 423 L CA -0.168 54.641 54.840 -0.052 0.000 0.839 423 L CB 0.449 42.510 42.059 0.003 0.000 1.219 423 L HN 0.596 nan 8.230 nan 0.000 0.434 424 L N 3.517 124.726 121.223 -0.023 0.000 2.046 424 L HA -0.090 4.251 4.340 0.000 0.000 0.208 424 L C 1.193 178.090 176.870 0.045 0.000 1.077 424 L CA 0.903 55.749 54.840 0.009 0.000 0.747 424 L CB -0.547 41.517 42.059 0.009 0.000 0.896 424 L HN 0.508 nan 8.230 nan 0.000 0.432 425 V N -2.983 116.988 119.914 0.095 0.000 3.561 425 V HA 0.463 4.583 4.120 0.000 0.000 0.290 425 V C -0.831 175.290 176.094 0.044 0.000 1.052 425 V CA -0.756 61.589 62.300 0.076 0.000 0.973 425 V CB 1.427 33.316 31.823 0.110 0.000 1.243 425 V HN -0.009 nan 8.190 nan 0.000 0.432 426 D N -1.256 119.150 120.400 0.009 0.000 2.857 426 D HA 0.518 5.158 4.640 0.000 0.000 0.227 426 D C -0.976 175.280 176.300 -0.073 0.000 1.192 426 D CA -0.277 53.706 54.000 -0.028 0.000 0.857 426 D CB 2.205 42.976 40.800 -0.047 0.000 1.645 426 D HN 0.590 nan 8.370 nan 0.000 0.482 427 V N 2.518 122.379 119.914 -0.089 0.000 2.458 427 V HA 0.431 4.551 4.120 0.000 0.000 0.287 427 V C 1.544 177.418 176.094 -0.366 0.000 1.009 427 V CA 1.748 63.955 62.300 -0.156 0.000 1.091 427 V CB 0.408 32.169 31.823 -0.103 0.000 0.960 427 V HN 0.965 nan 8.190 nan 0.000 0.476 428 G N 3.658 112.148 108.800 -0.517 0.000 2.380 428 G HA2 -0.125 3.835 3.960 0.000 0.000 0.197 428 G HA3 -0.125 3.835 3.960 0.000 0.000 0.197 428 G C 0.104 174.761 174.900 -0.406 0.000 1.001 428 G CA 0.081 44.593 45.100 -0.980 0.000 0.668 428 G HN 0.792 nan 8.290 nan 0.000 0.483 429 Q N 0.237 119.919 119.800 -0.197 0.000 2.204 429 Q HA 0.785 5.125 4.340 0.000 0.000 0.254 429 Q C -0.025 175.959 176.000 -0.027 0.000 0.981 429 Q CA -0.968 54.788 55.803 -0.078 0.000 0.897 429 Q CB 1.759 30.462 28.738 -0.060 0.000 1.273 429 Q HN 0.339 nan 8.270 nan 0.000 0.464 430 R N 1.063 121.563 120.500 -0.001 0.000 2.536 430 R HA 0.610 4.950 4.340 0.000 0.000 0.279 430 R C -0.840 175.462 176.300 0.003 0.000 1.001 430 R CA -0.563 55.542 56.100 0.007 0.000 1.027 430 R CB 0.804 31.114 30.300 0.017 0.000 1.096 430 R HN 0.785 nan 8.270 nan 0.000 0.502 431 L N -0.052 121.171 121.223 0.000 0.000 2.371 431 L HA 0.695 5.035 4.340 0.000 0.000 0.262 431 L C -1.011 175.861 176.870 0.002 0.000 1.006 431 L CA -1.327 53.516 54.840 0.006 0.000 0.818 431 L CB 2.279 44.346 42.059 0.013 0.000 1.354 431 L HN 0.530 nan 8.230 nan 0.000 0.415 432 R N 1.349 121.855 120.500 0.010 0.000 2.346 432 R HA 0.392 4.732 4.340 0.000 0.000 0.311 432 R C -0.427 175.879 176.300 0.010 0.000 0.983 432 R CA -0.857 55.248 56.100 0.007 0.000 0.880 432 R CB 1.714 32.021 30.300 0.010 0.000 1.100 432 R HN 0.652 nan 8.270 nan 0.000 0.453 433 R N 1.591 122.092 120.500 0.002 0.000 2.560 433 R HA -0.212 4.128 4.340 0.000 0.000 0.296 433 R C 0.540 176.852 176.300 0.020 0.000 0.873 433 R CA 1.843 57.945 56.100 0.004 0.000 1.140 433 R CB -0.225 30.074 30.300 -0.001 0.000 0.875 433 R HN 0.967 nan 8.270 nan 0.000 0.419 434 G N 2.273 111.094 108.800 0.035 0.000 2.397 434 G HA2 -0.321 3.639 3.960 0.000 0.000 0.211 434 G HA3 -0.321 3.639 3.960 0.000 0.000 0.211 434 G C 0.079 175.018 174.900 0.065 0.000 1.077 434 G CA 0.082 45.210 45.100 0.047 0.000 0.649 434 G HN 0.971 nan 8.290 nan 0.000 0.511 435 T N 2.030 116.620 114.554 0.061 0.000 2.866 435 T HA 0.442 4.792 4.350 0.000 0.000 0.293 435 T C -2.245 172.526 174.700 0.118 0.000 1.005 435 T CA -0.235 61.907 62.100 0.070 0.000 1.162 435 T CB 1.007 69.910 68.868 0.059 0.000 0.968 435 T HN 0.290 nan 8.240 nan 0.000 0.530 436 P HA 0.021 nan 4.420 nan 0.000 0.263 436 P C 0.686 178.076 177.300 0.150 0.000 1.195 436 P CA -0.332 62.825 63.100 0.094 0.000 0.762 436 P CB 0.188 31.898 31.700 0.018 0.000 0.799 437 W N 4.598 125.886 121.300 -0.020 0.000 2.893 437 W HA 0.323 4.983 4.660 0.000 0.000 0.253 437 W C -1.096 175.405 176.519 -0.029 0.000 1.171 437 W CA 0.189 57.521 57.345 -0.022 0.000 1.480 437 W CB -0.306 29.143 29.460 -0.018 0.000 0.963 437 W HN 0.130 nan 8.180 nan 0.000 0.637 438 L N 2.399 123.009 121.223 -1.020 0.000 2.381 438 L HA 0.575 4.915 4.340 0.000 0.000 0.274 438 L C -0.512 176.002 176.870 -0.593 0.000 0.988 438 L CA -0.881 53.371 54.840 -0.980 0.000 0.824 438 L CB 1.788 42.808 42.059 -1.731 0.000 1.263 438 L HN -0.097 nan 8.230 nan 0.000 0.410 439 R N 3.429 123.680 120.500 -0.415 0.000 2.407 439 R HA 0.834 5.174 4.340 0.000 0.000 0.303 439 R C -1.796 174.224 176.300 -0.466 0.000 0.981 439 R CA -0.418 55.461 56.100 -0.369 0.000 0.905 439 R CB 1.607 31.733 30.300 -0.289 0.000 1.099 439 R HN 0.485 nan 8.270 nan 0.000 0.459 440 V N 4.879 124.516 119.914 -0.461 0.000 2.588 440 V HA 0.356 4.476 4.120 0.000 0.000 0.304 440 V C -0.822 175.020 176.094 -0.419 0.000 1.042 440 V CA -0.907 61.141 62.300 -0.422 0.000 0.877 440 V CB 1.824 33.505 31.823 -0.236 0.000 0.996 440 V HN 0.792 nan 8.190 nan 0.000 0.425 441 H N 5.408 124.448 119.070 -0.049 0.000 2.641 441 H HA 0.534 5.090 4.556 0.000 0.000 0.295 441 H C 0.073 175.389 175.328 -0.020 0.000 1.070 441 H CA -0.388 55.642 56.048 -0.031 0.000 1.257 441 H CB 1.092 30.840 29.762 -0.024 0.000 1.393 441 H HN 0.720 nan 8.280 nan 0.000 0.464 442 R N 1.143 121.687 120.500 0.074 0.000 2.892 442 R HA 0.415 4.755 4.340 0.000 0.000 0.265 442 R C -0.841 175.479 176.300 0.034 0.000 1.025 442 R CA -0.765 55.358 56.100 0.039 0.000 0.982 442 R CB 1.416 31.721 30.300 0.009 0.000 1.185 442 R HN 0.136 nan 8.270 nan 0.000 0.484 443 D N 0.110 120.522 120.400 0.021 0.000 2.422 443 D HA 0.131 4.771 4.640 0.000 0.000 0.218 443 D C 0.816 177.120 176.300 0.007 0.000 1.047 443 D CA 0.704 54.712 54.000 0.013 0.000 0.885 443 D CB 0.406 41.210 40.800 0.007 0.000 1.035 443 D HN 0.668 nan 8.370 nan 0.000 0.502 444 G N 1.416 110.218 108.800 0.005 0.000 2.537 444 G HA2 0.417 4.377 3.960 0.000 0.000 0.297 444 G HA3 0.417 4.377 3.960 0.000 0.000 0.297 444 G C -2.180 172.721 174.900 0.002 0.000 1.310 444 G CA -0.847 44.255 45.100 0.002 0.000 1.027 444 G HN -0.093 nan 8.290 nan 0.000 0.505 445 P HA 0.179 nan 4.420 nan 0.000 0.276 445 P C 0.006 177.305 177.300 -0.001 0.000 1.264 445 P CA 0.064 63.165 63.100 0.001 0.000 0.815 445 P CB 0.231 31.932 31.700 0.002 0.000 1.121 446 A N 0.269 123.088 122.820 -0.001 0.000 2.477 446 A HA 0.210 4.530 4.320 0.000 0.000 0.246 446 A C 0.776 178.359 177.584 -0.002 0.000 1.078 446 A CA -0.409 51.626 52.037 -0.004 0.000 0.770 446 A CB -0.916 18.082 19.000 -0.002 0.000 1.011 446 A HN 0.478 nan 8.150 nan 0.000 0.494 447 L N 2.638 123.857 121.223 -0.006 0.000 2.653 447 L HA -0.040 4.301 4.340 0.000 0.000 0.288 447 L C 1.433 178.307 176.870 0.005 0.000 1.243 447 L CA 0.149 54.987 54.840 -0.002 0.000 0.906 447 L CB -0.280 41.775 42.059 -0.006 0.000 1.154 447 L HN 0.990 nan 8.230 nan 0.000 0.498 448 S N 2.216 117.921 115.700 0.009 0.000 2.626 448 S HA 0.196 4.666 4.470 0.000 0.000 0.257 448 S C 1.335 175.944 174.600 0.015 0.000 1.288 448 S CA -0.327 57.880 58.200 0.011 0.000 0.980 448 S CB 1.155 64.362 63.200 0.012 0.000 0.975 448 S HN 0.753 nan 8.310 nan 0.000 0.577 449 G N 1.158 109.967 108.800 0.015 0.000 2.514 449 G HA2 -0.121 3.839 3.960 0.000 0.000 0.217 449 G HA3 -0.121 3.839 3.960 0.000 0.000 0.217 449 G C -1.037 173.876 174.900 0.021 0.000 1.198 449 G CA 1.057 46.167 45.100 0.018 0.000 0.780 449 G HN 0.648 nan 8.290 nan 0.000 0.565 450 P HA -0.058 nan 4.420 nan 0.000 0.215 450 P C 1.972 179.289 177.300 0.028 0.000 1.157 450 P CA 1.392 64.505 63.100 0.023 0.000 0.868 450 P CB -0.082 31.630 31.700 0.019 0.000 0.788 451 Q N -0.625 119.190 119.800 0.026 0.000 2.077 451 Q HA -0.161 4.179 4.340 0.000 0.000 0.206 451 Q C 2.217 178.238 176.000 0.035 0.000 0.989 451 Q CA 2.250 58.070 55.803 0.028 0.000 0.853 451 Q CB -0.543 28.207 28.738 0.020 0.000 0.907 451 Q HN 0.247 nan 8.270 nan 0.000 0.418 452 S N 0.175 115.895 115.700 0.035 0.000 2.355 452 S HA -0.148 4.322 4.470 0.000 0.000 0.222 452 S C 1.726 176.367 174.600 0.069 0.000 1.031 452 S CA 1.042 59.271 58.200 0.048 0.000 0.993 452 S CB -0.248 62.976 63.200 0.040 0.000 0.859 452 S HN 0.215 nan 8.310 nan 0.000 0.453 453 R N 1.922 122.453 120.500 0.052 0.000 2.122 453 R HA -0.148 4.192 4.340 0.000 0.000 0.236 453 R C 2.439 178.776 176.300 0.061 0.000 1.129 453 R CA 1.908 58.037 56.100 0.049 0.000 0.925 453 R CB -1.084 29.236 30.300 0.034 0.000 0.850 453 R HN 0.403 nan 8.270 nan 0.000 0.431 454 A N 0.022 122.876 122.820 0.056 0.000 1.986 454 A HA -0.161 4.159 4.320 0.000 0.000 0.220 454 A C 2.266 179.909 177.584 0.097 0.000 1.171 454 A CA 1.629 53.703 52.037 0.061 0.000 0.640 454 A CB -0.632 18.397 19.000 0.048 0.000 0.811 454 A HN 0.350 nan 8.150 nan 0.000 0.451 455 L N -1.092 120.205 121.223 0.123 0.000 2.044 455 L HA -0.180 4.160 4.340 0.000 0.000 0.205 455 L C 2.860 179.944 176.870 0.356 0.000 1.075 455 L CA 1.047 56.011 54.840 0.207 0.000 0.747 455 L CB -0.531 41.611 42.059 0.139 0.000 0.903 455 L HN 0.354 nan 8.230 nan 0.000 0.435 456 Q N -0.016 119.945 119.800 0.269 0.000 2.135 456 Q HA -0.281 4.059 4.340 0.000 0.000 0.204 456 Q C 1.973 178.001 176.000 0.046 0.000 0.981 456 Q CA 1.493 57.417 55.803 0.202 0.000 0.856 456 Q CB -0.288 28.523 28.738 0.121 0.000 0.902 456 Q HN 0.550 nan 8.270 nan 0.000 0.425 457 E N 0.067 120.302 120.200 0.058 0.000 2.268 457 E HA -0.111 4.239 4.350 0.000 0.000 0.195 457 E C 1.737 178.342 176.600 0.007 0.000 0.995 457 E CA 0.676 57.085 56.400 0.015 0.000 0.836 457 E CB 0.109 29.825 29.700 0.027 0.000 0.763 457 E HN 0.321 nan 8.360 nan 0.000 0.491 458 A N 1.091 123.954 122.820 0.073 0.000 1.898 458 A HA -0.062 4.258 4.320 0.000 0.000 0.216 458 A C 1.373 178.935 177.584 -0.036 0.000 1.181 458 A CA 0.333 52.426 52.037 0.095 0.000 0.620 458 A CB -0.358 18.799 19.000 0.262 0.000 0.819 458 A HN 0.346 nan 8.150 nan 0.000 0.442 459 L N 1.686 122.718 121.223 -0.317 0.000 2.477 459 L HA 0.225 4.565 4.340 0.000 0.000 0.272 459 L C -1.174 175.500 176.870 -0.326 0.000 1.157 459 L CA -0.088 54.374 54.840 -0.630 0.000 0.889 459 L CB 0.825 41.992 42.059 -1.487 0.000 1.158 459 L HN 0.095 nan 8.230 nan 0.000 0.473 460 V N 7.213 127.010 119.914 -0.195 0.000 2.350 460 V HA 0.365 4.485 4.120 0.000 0.000 0.285 460 V C 0.293 176.332 176.094 -0.091 0.000 1.014 460 V CA -0.428 61.804 62.300 -0.113 0.000 0.831 460 V CB 1.637 33.430 31.823 -0.049 0.000 1.000 460 V HN 0.613 nan 8.190 nan 0.000 0.433 461 L N 4.314 125.479 121.223 -0.098 0.000 2.358 461 L HA 0.833 5.173 4.340 0.000 0.000 0.268 461 L C 0.564 177.415 176.870 -0.031 0.000 1.032 461 L CA -0.038 54.761 54.840 -0.068 0.000 0.805 461 L CB 2.140 44.141 42.059 -0.097 0.000 1.253 461 L HN 0.856 nan 8.230 nan 0.000 0.452 462 S N -1.221 114.473 115.700 -0.010 0.000 3.636 462 S HA 0.271 4.741 4.470 0.000 0.000 0.304 462 S C -0.853 173.751 174.600 0.006 0.000 1.165 462 S CA -0.184 58.014 58.200 -0.003 0.000 1.244 462 S CB 1.214 64.415 63.200 0.002 0.000 1.621 462 S HN 0.744 nan 8.310 nan 0.000 0.537 463 D N -1.039 119.365 120.400 0.007 0.000 2.480 463 D HA 0.170 4.810 4.640 0.000 0.000 0.276 463 D C 0.373 176.679 176.300 0.010 0.000 1.294 463 D CA -0.495 53.511 54.000 0.011 0.000 0.829 463 D CB 0.221 41.019 40.800 -0.003 0.000 1.242 463 D HN 0.369 nan 8.370 nan 0.000 0.513 464 R N 1.454 121.947 120.500 -0.011 0.000 2.651 464 R HA 0.142 4.482 4.340 0.000 0.000 0.269 464 R C 0.628 176.935 176.300 0.012 0.000 0.979 464 R CA 0.665 56.727 56.100 -0.063 0.000 1.096 464 R CB 0.391 30.559 30.300 -0.221 0.000 0.927 464 R HN 0.215 nan 8.270 nan 0.000 0.430 465 A N 4.386 127.206 122.820 0.001 0.000 2.409 465 A HA 0.259 4.579 4.320 0.000 0.000 0.246 465 A C -2.107 175.596 177.584 0.199 0.000 1.099 465 A CA -0.975 51.101 52.037 0.065 0.000 0.789 465 A CB -0.229 18.796 19.000 0.042 0.000 1.053 465 A HN 0.490 nan 8.150 nan 0.000 0.503 466 P HA 0.456 nan 4.420 nan 0.000 0.282 466 P C -1.014 176.479 177.300 0.322 0.000 1.262 466 P CA 0.156 63.419 63.100 0.271 0.000 0.773 466 P CB 0.356 32.116 31.700 0.099 0.000 0.879 467 F N 0.316 120.266 119.950 -0.000 0.000 2.640 467 F HA 0.840 5.367 4.527 0.000 0.000 0.324 467 F C -0.661 175.141 175.800 0.004 0.000 1.077 467 F CA -2.644 55.357 58.000 0.002 0.000 0.965 467 F CB 0.539 39.540 39.000 0.002 0.000 1.351 467 F HN 0.242 nan 8.300 nan 0.000 0.487 468 A N 1.645 124.496 122.820 0.051 0.000 2.506 468 A HA 0.670 4.990 4.320 0.000 0.000 0.320 468 A C 0.439 178.012 177.584 -0.020 0.000 1.424 468 A CA -0.268 51.744 52.037 -0.041 0.000 1.044 468 A CB -1.162 17.845 19.000 0.011 0.000 1.140 468 A HN 1.527 nan 8.150 nan 0.000 0.538 469 A N 5.226 127.952 122.820 -0.157 0.000 2.608 469 A HA 0.321 4.641 4.320 0.000 0.000 0.246 469 A C -1.124 176.483 177.584 0.040 0.000 0.998 469 A CA -0.067 51.934 52.037 -0.058 0.000 0.796 469 A CB -0.568 18.370 19.000 -0.103 0.000 0.895 469 A HN 0.745 nan 8.150 nan 0.000 0.508 470 P HA 0.123 nan 4.420 nan 0.000 0.272 470 P C 0.167 177.509 177.300 0.069 0.000 1.240 470 P CA -0.310 62.843 63.100 0.089 0.000 0.791 470 P CB 0.563 32.328 31.700 0.107 0.000 0.978 471 S N 1.475 117.222 115.700 0.079 0.000 2.549 471 S HA 0.087 4.557 4.470 0.000 0.000 0.286 471 S C -1.005 173.656 174.600 0.102 0.000 1.314 471 S CA -1.069 57.185 58.200 0.090 0.000 1.062 471 S CB -0.330 62.944 63.200 0.123 0.000 0.865 471 S HN 0.349 nan 8.310 nan 0.000 0.498 472 P HA 0.009 nan 4.420 nan 0.000 0.237 472 P C 0.186 177.533 177.300 0.078 0.000 1.178 472 P CA 0.251 63.374 63.100 0.040 0.000 0.766 472 P CB -0.087 31.617 31.700 0.007 0.000 0.876 473 F N 1.061 121.016 119.950 0.009 0.000 2.456 473 F HA 0.407 4.934 4.527 0.000 0.000 0.358 473 F C 1.063 176.921 175.800 0.097 0.000 1.095 473 F CA -0.543 57.481 58.000 0.039 0.000 1.216 473 F CB 0.981 39.997 39.000 0.026 0.000 1.125 473 F HN -0.046 nan 8.300 nan 0.000 0.549 474 A N 4.706 127.207 122.820 -0.531 0.000 3.750 474 A HA 0.366 4.686 4.320 0.000 0.000 0.188 474 A C -0.288 177.003 177.584 -0.487 0.000 1.870 474 A CA 0.171 52.061 52.037 -0.245 0.000 1.748 474 A CB -0.315 18.794 19.000 0.183 0.000 1.266 474 A HN 0.781 nan 8.150 nan 0.000 0.382 475 E N -0.960 119.020 120.200 -0.367 0.000 2.221 475 E HA 0.600 4.950 4.350 0.000 0.000 0.268 475 E C -1.101 175.388 176.600 -0.185 0.000 0.933 475 E CA -0.749 55.524 56.400 -0.211 0.000 0.809 475 E CB 1.496 31.136 29.700 -0.101 0.000 1.190 475 E HN 0.435 nan 8.360 nan 0.000 0.406 476 L N 2.378 123.619 121.223 0.030 0.000 2.325 476 L HA 0.568 4.908 4.340 0.000 0.000 0.278 476 L C -1.451 175.477 176.870 0.097 0.000 1.023 476 L CA -0.797 54.125 54.840 0.136 0.000 0.811 476 L CB 1.899 44.134 42.059 0.292 0.000 1.249 476 L HN 0.585 nan 8.230 nan 0.000 0.431 477 V N 6.148 126.119 119.914 0.096 0.000 2.487 477 V HA 0.495 4.615 4.120 0.000 0.000 0.298 477 V C -0.053 176.104 176.094 0.104 0.000 1.028 477 V CA -0.497 61.851 62.300 0.080 0.000 0.860 477 V CB 1.560 33.414 31.823 0.052 0.000 0.991 477 V HN 0.681 nan 8.190 nan 0.000 0.427 478 L N 6.104 127.391 121.223 0.108 0.000 2.332 478 L HA 0.648 4.988 4.340 0.000 0.000 0.269 478 L C -1.679 175.235 176.870 0.073 0.000 1.016 478 L CA -1.727 53.181 54.840 0.114 0.000 0.809 478 L CB 1.672 43.831 42.059 0.165 0.000 1.280 478 L HN 0.471 nan 8.230 nan 0.000 0.447 479 P HA 0.581 nan 4.420 nan 0.000 0.280 479 P C -2.352 174.966 177.300 0.031 0.000 1.278 479 P CA -0.219 62.901 63.100 0.033 0.000 0.787 479 P CB -0.206 31.502 31.700 0.014 0.000 1.163 480 P HA 0.000 nan 4.420 nan 0.000 0.216 480 P CA 0.000 nan 63.100 nan 0.000 0.800 480 P CB 0.000 nan 31.700 nan 0.000 0.726