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 2xmg_1_A DATA FIRST_RESID 3 DATA SEQUENCE DIIIATKNGK VRGMQLTVFG GTVTAFLGIP YAQPPLGRLR FKKPQSLTKW DATA SEQUENCE SDIWNATKYA NScCQNIDQS FPGFHGSEMW NPNTDLSEDc LYLNVWIPAP DATA SEQUENCE KPKNATVLIW IYGGHFQTGT SSLHVYDGKF LARVERVIVV SMNYRVGALG DATA SEQUENCE FLALPGNPEA PGNMGLFDQQ LALQWVQKNI AAFGGNPKSV TLFGESAGAA DATA SEQUENCE SVSLHLLSPG SHSLFTRAIL QSGSFNAPWA VTSLYEARNR TLNLAKLTGc DATA SEQUENCE SRENETEIIK cLRNKDPQEI LLNEAFVVPY GTPLSVNFGP TVDGDFLTDM DATA SEQUENCE PDILLELGQF KKTQILVGVN KDEGTAFLVY GAPGFSKDNN SIITRKEFQE DATA SEQUENCE GLKIFFPGVS EFGKESILFH YTDWVDDQRP ENYREALGDV VGDYNFIcPA DATA SEQUENCE LEFTKKFSEW GNNAFFYYFE HRSSKLPWPE WMGVMHGYEI EFVFGLPLER DATA SEQUENCE RDQYTKAEEI LSRSIVKRWA NFAKYGNPQE TQNQSTSWPV FKSTEQKYLT DATA SEQUENCE LNTESTRIMT KLRAQQcRFW TSFFPKV 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.309 176.300 0.015 0.000 2.045 3 D CA 0.000 54.001 54.000 0.002 0.000 0.868 3 D CB 0.000 40.805 40.800 0.008 0.000 0.688 4 I N 2.837 123.417 120.570 0.016 0.000 2.595 4 I HA 0.424 4.591 4.170 -0.005 0.000 0.275 4 I C -0.417 175.772 176.117 0.120 0.000 1.092 4 I CA -0.464 60.867 61.300 0.052 0.000 1.145 4 I CB 0.750 38.761 38.000 0.018 0.000 1.276 4 I HN 0.199 nan 8.210 nan 0.000 0.497 5 I N 5.466 126.105 120.570 0.115 0.000 2.359 5 I HA 0.428 4.595 4.170 -0.005 0.000 0.294 5 I C -0.159 176.013 176.117 0.092 0.000 0.987 5 I CA -0.266 61.122 61.300 0.147 0.000 1.225 5 I CB 1.089 39.154 38.000 0.108 0.000 1.366 5 I HN 0.259 nan 8.210 nan 0.000 0.466 6 I N 5.073 125.685 120.570 0.070 0.000 2.493 6 I HA 0.508 4.675 4.170 -0.005 0.000 0.298 6 I C 0.240 176.274 176.117 -0.138 0.000 0.998 6 I CA -0.739 60.445 61.300 -0.193 0.000 1.137 6 I CB 1.807 39.374 38.000 -0.722 0.000 1.310 6 I HN 0.579 nan 8.210 nan 0.000 0.445 7 A N 4.886 127.608 122.820 -0.163 0.000 2.294 7 A HA 0.546 4.863 4.320 -0.005 0.000 0.316 7 A C 0.497 177.988 177.584 -0.154 0.000 1.359 7 A CA -0.407 51.560 52.037 -0.116 0.000 0.956 7 A CB 0.081 19.027 19.000 -0.091 0.000 1.155 7 A HN 0.814 nan 8.150 nan 0.000 0.544 8 T N 0.176 114.665 114.554 -0.109 0.000 2.810 8 T HA 0.292 4.639 4.350 -0.005 0.000 0.277 8 T C 1.090 175.684 174.700 -0.176 0.000 0.973 8 T CA -0.404 61.632 62.100 -0.107 0.000 0.949 8 T CB 0.582 69.482 68.868 0.052 0.000 1.075 8 T HN 0.507 nan 8.240 nan 0.000 0.537 9 K N 0.824 121.111 120.400 -0.189 0.000 2.057 9 K HA -0.111 4.206 4.320 -0.005 0.000 0.207 9 K C 1.944 178.402 176.600 -0.237 0.000 1.049 9 K CA 1.822 57.998 56.287 -0.185 0.000 0.931 9 K CB -0.528 31.876 32.500 -0.160 0.000 0.714 9 K HN 0.645 nan 8.250 nan 0.000 0.440 10 N N -0.183 118.330 118.700 -0.310 0.000 2.463 10 N HA 0.025 4.762 4.740 -0.005 0.000 0.181 10 N C 0.590 175.413 175.510 -1.145 0.000 1.078 10 N CA 0.395 53.121 53.050 -0.540 0.000 0.902 10 N CB 0.794 39.053 38.487 -0.381 0.000 0.970 10 N HN 0.268 nan 8.380 nan 0.000 0.451 11 G N -0.022 108.216 108.800 -0.938 0.000 2.340 11 G HA2 -0.033 3.924 3.960 -0.005 0.000 0.282 11 G HA3 -0.033 3.924 3.960 -0.005 0.000 0.282 11 G C -1.701 173.003 174.900 -0.326 0.000 1.312 11 G CA -1.043 43.559 45.100 -0.829 0.000 0.942 11 G HN -0.030 nan 8.290 nan 0.000 0.495 12 K N -0.174 120.227 120.400 0.001 0.000 2.270 12 K HA 0.540 4.856 4.320 -0.005 0.000 0.276 12 K C 0.160 177.095 176.600 0.559 0.000 1.023 12 K CA -0.289 56.147 56.287 0.248 0.000 0.955 12 K CB 1.823 34.439 32.500 0.194 0.000 0.975 12 K HN 1.131 nan 8.250 nan 0.000 0.471 13 V N -0.020 120.171 119.914 0.462 0.000 2.656 13 V HA 0.529 4.646 4.120 -0.005 0.000 0.307 13 V C -0.719 175.691 176.094 0.527 0.000 1.051 13 V CA -1.130 61.522 62.300 0.587 0.000 0.893 13 V CB 1.714 33.934 31.823 0.660 0.000 0.999 13 V HN 0.825 nan 8.190 nan 0.000 0.426 14 R N 2.814 123.577 120.500 0.438 0.000 2.407 14 R HA 0.772 5.108 4.340 -0.005 0.000 0.303 14 R C 0.285 176.637 176.300 0.086 0.000 0.981 14 R CA 0.218 56.469 56.100 0.252 0.000 0.905 14 R CB 1.634 32.010 30.300 0.127 0.000 1.099 14 R HN 1.149 nan 8.270 nan 0.000 0.459 15 G N 3.106 111.707 108.800 -0.332 0.000 2.828 15 G HA2 0.530 4.487 3.960 -0.005 0.000 0.244 15 G HA3 0.530 4.487 3.960 -0.005 0.000 0.244 15 G C -0.579 174.056 174.900 -0.441 0.000 1.365 15 G CA -0.847 43.751 45.100 -0.836 0.000 1.041 15 G HN 0.648 nan 8.290 nan 0.000 0.560 16 M N -1.305 118.043 119.600 -0.420 0.000 2.619 16 M HA 0.581 5.058 4.480 -0.005 0.000 0.297 16 M C -1.463 174.726 176.300 -0.184 0.000 1.229 16 M CA -1.015 54.144 55.300 -0.236 0.000 0.860 16 M CB 2.391 34.880 32.600 -0.184 0.000 1.741 16 M HN 0.236 nan 8.290 nan 0.000 0.462 17 Q N 2.434 122.168 119.800 -0.111 0.000 2.241 17 Q HA 0.702 5.039 4.340 -0.005 0.000 0.254 17 Q C -1.296 174.673 176.000 -0.052 0.000 0.917 17 Q CA -0.319 55.446 55.803 -0.064 0.000 0.919 17 Q CB 2.302 31.017 28.738 -0.038 0.000 1.237 17 Q HN 0.759 nan 8.270 nan 0.000 0.434 18 L N 1.036 122.240 121.223 -0.033 0.000 2.365 18 L HA 0.454 4.791 4.340 -0.005 0.000 0.273 18 L C 0.110 176.960 176.870 -0.034 0.000 1.000 18 L CA -0.813 54.005 54.840 -0.036 0.000 0.819 18 L CB 1.938 43.976 42.059 -0.035 0.000 1.284 18 L HN 0.394 nan 8.230 nan 0.000 0.418 19 T N 2.420 116.955 114.554 -0.031 0.000 2.814 19 T HA 0.449 4.796 4.350 -0.005 0.000 0.297 19 T C -0.180 174.483 174.700 -0.062 0.000 0.956 19 T CA -0.181 61.904 62.100 -0.025 0.000 1.123 19 T CB 0.886 69.752 68.868 -0.002 0.000 0.902 19 T HN 0.277 nan 8.240 nan 0.000 0.528 20 V N 4.813 124.678 119.914 -0.081 0.000 2.567 20 V HA 0.326 4.443 4.120 -0.005 0.000 0.298 20 V C -0.223 175.815 176.094 -0.094 0.000 1.047 20 V CA -1.138 61.024 62.300 -0.231 0.000 0.880 20 V CB 0.802 32.410 31.823 -0.360 0.000 1.009 20 V HN 1.067 nan 8.190 nan 0.000 0.429 21 F N 3.844 123.854 119.950 0.099 0.000 2.783 21 F HA -0.246 4.277 4.527 -0.006 0.000 0.222 21 F C 1.677 177.510 175.800 0.055 0.000 1.028 21 F CA 0.767 58.813 58.000 0.075 0.000 0.862 21 F CB -1.079 37.969 39.000 0.080 0.000 0.744 21 F HN 1.038 nan 8.300 nan 0.000 0.850 22 G N -0.740 108.176 108.800 0.194 0.000 2.189 22 G HA2 -0.126 3.831 3.960 -0.005 0.000 0.267 22 G HA3 -0.126 3.831 3.960 -0.005 0.000 0.267 22 G C 0.610 175.568 174.900 0.097 0.000 0.975 22 G CA 0.152 45.327 45.100 0.125 0.000 0.644 22 G HN 1.339 nan 8.290 nan 0.000 0.537 23 G N -1.943 106.915 108.800 0.097 0.000 3.252 23 G HA2 0.793 4.750 3.960 -0.005 0.000 0.181 23 G HA3 0.793 4.750 3.960 -0.005 0.000 0.181 23 G C -0.677 174.247 174.900 0.041 0.000 1.187 23 G CA 0.588 45.730 45.100 0.070 0.000 0.886 23 G HN 0.909 nan 8.290 nan 0.000 0.615 24 T N -0.771 113.805 114.554 0.037 0.000 2.982 24 T HA 0.568 4.915 4.350 -0.005 0.000 0.321 24 T C -1.312 173.409 174.700 0.034 0.000 1.229 24 T CA -0.279 61.835 62.100 0.024 0.000 1.044 24 T CB 2.051 70.936 68.868 0.030 0.000 1.184 24 T HN 0.449 nan 8.240 nan 0.000 0.477 25 V N 1.993 121.925 119.914 0.029 0.000 2.735 25 V HA 0.611 4.728 4.120 -0.005 0.000 0.310 25 V C -0.117 176.026 176.094 0.081 0.000 1.061 25 V CA -0.812 61.533 62.300 0.075 0.000 0.913 25 V CB 2.404 34.275 31.823 0.080 0.000 1.005 25 V HN 1.035 nan 8.190 nan 0.000 0.428 26 T N 3.652 118.281 114.554 0.126 0.000 2.767 26 T HA 0.708 5.055 4.350 -0.005 0.000 0.288 26 T C -0.041 174.710 174.700 0.085 0.000 0.963 26 T CA -0.224 61.919 62.100 0.072 0.000 1.019 26 T CB 1.390 70.342 68.868 0.140 0.000 0.923 26 T HN 0.955 nan 8.240 nan 0.000 0.468 27 A N 3.014 125.752 122.820 -0.138 0.000 2.342 27 A HA 0.807 5.124 4.320 -0.005 0.000 0.323 27 A C -1.107 176.215 177.584 -0.436 0.000 1.125 27 A CA -0.714 51.162 52.037 -0.269 0.000 0.785 27 A CB 0.559 19.342 19.000 -0.362 0.000 1.221 27 A HN 0.729 nan 8.150 nan 0.000 0.463 28 F N 2.406 122.217 119.950 -0.231 0.000 2.434 28 F HA 0.475 4.998 4.527 -0.005 0.000 0.355 28 F C -0.268 175.373 175.800 -0.265 0.000 1.115 28 F CA -0.382 57.554 58.000 -0.106 0.000 1.010 28 F CB 1.463 40.525 39.000 0.103 0.000 1.234 28 F HN 0.333 nan 8.300 nan 0.000 0.439 29 L N 2.744 123.877 121.223 -0.149 0.000 2.296 29 L HA 0.697 5.033 4.340 -0.005 0.000 0.286 29 L C 0.719 177.581 176.870 -0.013 0.000 1.023 29 L CA -0.959 53.733 54.840 -0.247 0.000 0.812 29 L CB 1.604 43.336 42.059 -0.544 0.000 1.223 29 L HN 0.848 nan 8.230 nan 0.000 0.421 30 G N 3.720 112.562 108.800 0.070 0.000 2.326 30 G HA2 -0.225 3.732 3.960 -0.005 0.000 0.286 30 G HA3 -0.225 3.732 3.960 -0.005 0.000 0.286 30 G C -0.235 174.895 174.900 0.383 0.000 1.096 30 G CA -0.474 44.749 45.100 0.205 0.000 1.003 30 G HN 0.510 nan 8.290 nan 0.000 0.503 31 I N 1.600 122.272 120.570 0.171 0.000 2.441 31 I HA 0.263 4.430 4.170 -0.005 0.000 0.287 31 I C -1.345 174.689 176.117 -0.139 0.000 1.049 31 I CA -2.259 58.995 61.300 -0.077 0.000 1.381 31 I CB 1.069 38.975 38.000 -0.158 0.000 1.409 31 I HN 0.025 nan 8.210 nan 0.000 0.523 32 P HA 0.009 nan 4.420 nan 0.000 0.275 32 P C -0.733 176.354 177.300 -0.355 0.000 1.227 32 P CA 0.209 62.931 63.100 -0.630 0.000 0.781 32 P CB 0.436 31.653 31.700 -0.805 0.000 0.906 33 Y N 1.139 121.190 120.300 -0.415 0.000 2.527 33 Y HA 0.740 5.287 4.550 -0.005 0.000 0.247 33 Y C -0.151 175.692 175.900 -0.096 0.000 1.138 33 Y CA -0.615 57.344 58.100 -0.236 0.000 1.228 33 Y CB 0.272 38.537 38.460 -0.324 0.000 1.252 33 Y HN 0.491 nan 8.280 nan 0.000 0.531 34 A N 0.323 122.865 122.820 -0.464 0.000 2.602 34 A HA 0.536 4.852 4.320 -0.005 0.000 0.290 34 A C -1.426 176.006 177.584 -0.254 0.000 1.114 34 A CA -1.069 50.799 52.037 -0.282 0.000 0.683 34 A CB 0.905 19.716 19.000 -0.315 0.000 1.281 34 A HN 0.147 nan 8.150 nan 0.000 0.416 35 Q N 1.095 120.810 119.800 -0.142 0.000 2.263 35 Q HA 0.308 4.645 4.340 -0.005 0.000 0.289 35 Q C -2.273 173.637 176.000 -0.151 0.000 1.061 35 Q CA -0.425 55.310 55.803 -0.113 0.000 0.927 35 Q CB 0.074 28.773 28.738 -0.065 0.000 1.154 35 Q HN 0.421 nan 8.270 nan 0.000 0.378 36 P HA -0.008 nan 4.420 nan 0.000 0.264 36 P C -2.462 174.781 177.300 -0.096 0.000 1.183 36 P CA -0.908 62.116 63.100 -0.127 0.000 0.763 36 P CB 0.237 31.901 31.700 -0.060 0.000 0.807 37 P HA 0.181 nan 4.420 nan 0.000 0.209 37 P C -0.748 176.492 177.300 -0.100 0.000 1.843 37 P CA 0.193 63.236 63.100 -0.095 0.000 0.985 37 P CB 0.023 31.664 31.700 -0.098 0.000 1.904 38 L N -0.289 120.886 121.223 -0.080 0.000 2.358 38 L HA 0.648 4.985 4.340 -0.005 0.000 0.268 38 L C 1.696 178.521 176.870 -0.075 0.000 1.032 38 L CA -0.492 54.301 54.840 -0.079 0.000 0.805 38 L CB 0.482 42.511 42.059 -0.050 0.000 1.253 38 L HN 0.290 nan 8.230 nan 0.000 0.452 39 G N 0.621 109.375 108.800 -0.075 0.000 2.690 39 G HA2 -0.423 3.534 3.960 -0.005 0.000 0.334 39 G HA3 -0.423 3.534 3.960 -0.005 0.000 0.334 39 G C 1.082 175.949 174.900 -0.054 0.000 1.250 39 G CA 1.028 46.094 45.100 -0.057 0.000 0.994 39 G HN 0.821 nan 8.290 nan 0.000 0.549 40 R N 0.299 120.780 120.500 -0.031 0.000 2.226 40 R HA 0.002 4.339 4.340 -0.005 0.000 0.246 40 R C 2.400 178.686 176.300 -0.024 0.000 1.161 40 R CA 1.861 57.950 56.100 -0.018 0.000 0.997 40 R CB -0.363 29.930 30.300 -0.011 0.000 0.870 40 R HN 0.552 nan 8.270 nan 0.000 0.465 41 L N 0.133 121.328 121.223 -0.046 0.000 2.607 41 L HA 0.152 4.489 4.340 -0.005 0.000 0.228 41 L C 1.002 177.823 176.870 -0.082 0.000 1.123 41 L CA -0.240 54.570 54.840 -0.050 0.000 0.890 41 L CB -0.016 42.012 42.059 -0.053 0.000 1.103 41 L HN 0.059 nan 8.230 nan 0.000 0.468 42 R N 0.594 121.006 120.500 -0.146 0.000 2.522 42 R HA -0.049 4.287 4.340 -0.005 0.000 0.284 42 R C 0.167 176.316 176.300 -0.251 0.000 1.032 42 R CA 0.263 56.162 56.100 -0.335 0.000 1.049 42 R CB 0.182 30.158 30.300 -0.539 0.000 0.956 42 R HN 0.111 nan 8.270 nan 0.000 0.422 43 F N -0.108 119.815 119.950 -0.045 0.000 2.666 43 F HA -0.344 4.179 4.527 -0.005 0.000 0.458 43 F C 0.354 176.126 175.800 -0.047 0.000 0.561 43 F CA 1.229 59.198 58.000 -0.051 0.000 1.129 43 F CB -1.383 37.588 39.000 -0.049 0.000 1.751 43 F HN 0.586 nan 8.300 nan 0.000 0.275 44 K N 1.334 121.790 120.400 0.094 0.000 2.120 44 K HA 0.376 4.693 4.320 -0.005 0.000 0.245 44 K C 0.620 177.216 176.600 -0.006 0.000 1.024 44 K CA -0.738 55.569 56.287 0.033 0.000 0.906 44 K CB 0.638 33.142 32.500 0.007 0.000 1.051 44 K HN 0.027 nan 8.250 nan 0.000 0.491 45 K N 1.706 122.075 120.400 -0.051 0.000 2.230 45 K HA 0.080 4.396 4.320 -0.005 0.000 0.253 45 K C -2.231 174.331 176.600 -0.062 0.000 1.008 45 K CA -1.250 54.980 56.287 -0.095 0.000 0.910 45 K CB 0.106 32.453 32.500 -0.256 0.000 0.994 45 K HN 0.354 nan 8.250 nan 0.000 0.495 46 P HA 0.049 nan 4.420 nan 0.000 0.281 46 P C -1.184 176.100 177.300 -0.026 0.000 1.252 46 P CA -0.147 62.941 63.100 -0.021 0.000 0.778 46 P CB 0.998 32.720 31.700 0.037 0.000 0.895 47 Q N 1.083 120.860 119.800 -0.038 0.000 2.215 47 Q HA 0.369 4.706 4.340 -0.005 0.000 0.256 47 Q C 0.421 176.413 176.000 -0.014 0.000 0.972 47 Q CA -0.663 55.124 55.803 -0.027 0.000 0.889 47 Q CB 1.195 29.914 28.738 -0.031 0.000 1.281 47 Q HN 0.536 nan 8.270 nan 0.000 0.456 48 S N 0.447 116.151 115.700 0.006 0.000 2.580 48 S HA 0.269 4.736 4.470 -0.005 0.000 0.274 48 S C 0.126 174.742 174.600 0.025 0.000 1.329 48 S CA -0.801 57.417 58.200 0.029 0.000 1.036 48 S CB 0.494 63.717 63.200 0.038 0.000 0.919 48 S HN 0.446 nan 8.310 nan 0.000 0.515 49 L N 3.382 124.634 121.223 0.047 0.000 2.455 49 L HA 0.225 4.561 4.340 -0.005 0.000 0.272 49 L C 1.536 178.452 176.870 0.077 0.000 1.174 49 L CA 0.862 55.737 54.840 0.060 0.000 0.869 49 L CB -0.095 42.029 42.059 0.108 0.000 1.130 49 L HN 1.033 nan 8.230 nan 0.000 0.474 50 T N 3.727 118.330 114.554 0.081 0.000 2.699 50 T HA -0.169 4.178 4.350 -0.005 0.000 0.268 50 T C 0.404 175.171 174.700 0.112 0.000 1.036 50 T CA 1.564 63.714 62.100 0.085 0.000 1.147 50 T CB -0.282 68.633 68.868 0.078 0.000 0.862 50 T HN 0.702 nan 8.240 nan 0.000 0.446 51 K N -0.731 119.788 120.400 0.198 0.000 7.140 51 K HA -0.029 4.288 4.320 -0.005 0.000 0.736 51 K C -1.442 175.317 176.600 0.265 0.000 2.402 51 K CA 0.163 56.548 56.287 0.164 0.000 1.819 51 K CB -1.140 31.363 32.500 0.005 0.000 2.719 51 K HN 0.506 nan 8.250 nan 0.000 0.294 52 W N 2.323 123.655 121.300 0.054 0.000 3.032 52 W HA 0.780 5.436 4.660 -0.005 0.000 0.341 52 W C -0.771 175.793 176.519 0.075 0.000 1.202 52 W CA -0.296 57.095 57.345 0.076 0.000 1.132 52 W CB 1.012 30.544 29.460 0.120 0.000 1.465 52 W HN 0.843 nan 8.180 nan 0.000 0.576 53 S N 1.143 117.046 115.700 0.339 0.000 2.689 53 S HA 0.648 5.115 4.470 -0.005 0.000 0.306 53 S C -0.496 174.356 174.600 0.420 0.000 1.104 53 S CA 0.138 58.484 58.200 0.245 0.000 0.973 53 S CB 1.295 64.579 63.200 0.141 0.000 1.121 53 S HN 1.051 nan 8.310 nan 0.000 0.523 54 D N -0.437 120.139 120.400 0.293 0.000 10.807 54 D HA -0.179 4.458 4.640 -0.005 0.000 0.359 54 D C -0.995 175.551 176.300 0.410 0.000 3.110 54 D CA 0.689 54.855 54.000 0.276 0.000 2.589 54 D CB -0.457 40.466 40.800 0.205 0.000 1.188 54 D HN 0.691 nan 8.370 nan 0.000 0.949 55 I N 1.810 122.554 120.570 0.290 0.000 2.352 55 I HA 0.116 4.283 4.170 -0.005 0.000 0.290 55 I C 0.647 176.940 176.117 0.295 0.000 1.036 55 I CA -0.578 60.922 61.300 0.334 0.000 1.336 55 I CB 0.802 38.928 38.000 0.209 0.000 1.407 55 I HN 0.206 nan 8.210 nan 0.000 0.497 56 W N 7.436 128.842 121.300 0.175 0.000 2.311 56 W HA 0.185 4.842 4.660 -0.005 0.000 0.310 56 W C -0.560 175.991 176.519 0.055 0.000 1.274 56 W CA -0.530 56.789 57.345 -0.043 0.000 1.215 56 W CB 0.615 29.895 29.460 -0.301 0.000 1.227 56 W HN 0.463 nan 8.180 nan 0.000 0.523 57 N N 4.899 123.410 118.700 -0.315 0.000 2.448 57 N HA 0.223 4.960 4.740 -0.005 0.000 0.250 57 N C 0.017 175.422 175.510 -0.175 0.000 1.136 57 N CA 0.124 53.057 53.050 -0.194 0.000 0.953 57 N CB 1.155 39.484 38.487 -0.263 0.000 1.251 57 N HN 0.384 nan 8.380 nan 0.000 0.502 58 A N 1.755 124.696 122.820 0.203 0.000 3.126 58 A HA 0.235 4.552 4.320 -0.005 0.000 0.268 58 A C 1.027 178.620 177.584 0.016 0.000 1.605 58 A CA -0.440 51.769 52.037 0.287 0.000 1.305 58 A CB -0.640 18.672 19.000 0.521 0.000 1.160 58 A HN 0.566 nan 8.150 nan 0.000 0.609 59 T N -2.480 112.021 114.554 -0.087 0.000 3.003 59 T HA 0.259 4.606 4.350 -0.005 0.000 0.261 59 T C 0.443 175.032 174.700 -0.185 0.000 1.003 59 T CA 0.054 62.059 62.100 -0.158 0.000 0.917 59 T CB -0.167 68.613 68.868 -0.147 0.000 1.084 59 T HN 0.672 nan 8.240 nan 0.000 0.522 60 K N 0.080 120.376 120.400 -0.173 0.000 2.482 60 K HA 0.511 4.827 4.320 -0.005 0.000 0.257 60 K C -1.515 174.996 176.600 -0.149 0.000 0.969 60 K CA -1.044 55.140 56.287 -0.171 0.000 0.842 60 K CB 1.129 33.563 32.500 -0.109 0.000 1.359 60 K HN -0.068 nan 8.250 nan 0.000 0.441 61 Y N 0.870 121.131 120.300 -0.065 0.000 2.578 61 Y HA 0.169 4.716 4.550 -0.005 0.000 0.339 61 Y C 0.906 176.743 175.900 -0.105 0.000 1.231 61 Y CA 0.639 58.705 58.100 -0.057 0.000 1.461 61 Y CB 0.678 39.123 38.460 -0.026 0.000 1.323 61 Y HN 0.755 nan 8.280 nan 0.000 0.590 62 A N 2.645 125.496 122.820 0.051 0.000 2.264 62 A HA 0.363 4.680 4.320 -0.005 0.000 0.304 62 A C -0.141 177.379 177.584 -0.106 0.000 1.100 62 A CA -1.034 50.884 52.037 -0.199 0.000 0.839 62 A CB 0.120 18.686 19.000 -0.723 0.000 1.121 62 A HN 0.810 nan 8.150 nan 0.000 0.496 63 N N 1.132 119.746 118.700 -0.144 0.000 1.935 63 N HA -0.054 4.683 4.740 -0.005 0.000 0.304 63 N C 0.040 175.557 175.510 0.012 0.000 1.286 63 N CA 0.716 53.737 53.050 -0.049 0.000 0.798 63 N CB -0.076 38.400 38.487 -0.019 0.000 1.028 63 N HN 0.535 nan 8.380 nan 0.000 0.494 64 S N 1.341 117.039 115.700 -0.004 0.000 2.592 64 S HA 0.233 4.700 4.470 -0.005 0.000 0.271 64 S C 0.445 175.057 174.600 0.019 0.000 1.326 64 S CA -0.767 57.431 58.200 -0.003 0.000 1.024 64 S CB 0.715 63.880 63.200 -0.058 0.000 0.921 64 S HN 0.529 nan 8.310 nan 0.000 0.527 65 c N 2.049 120.667 118.600 0.030 0.000 2.662 65 c HA 0.132 4.699 4.570 -0.005 0.000 0.420 65 c C 1.228 175.328 174.090 0.017 0.000 1.314 65 c CA -1.027 55.323 56.329 0.035 0.000 1.963 65 c CB -1.053 41.488 42.510 0.052 0.000 2.686 65 c HN 0.835 nan 8.230 nan 0.000 0.609 66 C N 4.322 123.633 119.300 0.018 0.000 2.437 66 C HA 0.256 4.713 4.460 -0.005 0.000 0.399 66 C C 0.458 175.465 174.990 0.029 0.000 1.478 66 C CA 0.477 59.505 59.018 0.015 0.000 1.538 66 C CB -2.033 25.711 27.740 0.008 0.000 2.506 66 C HN 0.951 nan 8.230 nan 0.000 0.603 67 Q N 2.777 122.592 119.800 0.025 0.000 2.527 67 Q HA 0.342 4.678 4.340 -0.005 0.000 0.280 67 Q C -1.450 174.568 176.000 0.030 0.000 0.977 67 Q CA -0.845 54.981 55.803 0.038 0.000 0.837 67 Q CB 0.868 29.627 28.738 0.036 0.000 1.454 67 Q HN 0.624 nan 8.270 nan 0.000 0.387 68 N N 1.083 119.804 118.700 0.034 0.000 2.518 68 N HA 0.304 5.040 4.740 -0.005 0.000 0.266 68 N C -0.846 174.678 175.510 0.023 0.000 1.196 68 N CA 0.149 53.211 53.050 0.020 0.000 0.947 68 N CB 0.562 39.052 38.487 0.005 0.000 1.098 68 N HN 0.455 nan 8.380 nan 0.000 0.450 69 I N 0.887 121.471 120.570 0.024 0.000 2.437 69 I HA 0.029 4.196 4.170 -0.005 0.000 0.298 69 I C 0.362 176.512 176.117 0.055 0.000 0.984 69 I CA -0.694 60.630 61.300 0.040 0.000 1.214 69 I CB 1.117 39.138 38.000 0.036 0.000 1.365 69 I HN 0.372 nan 8.210 nan 0.000 0.469 70 D N 5.179 125.634 120.400 0.093 0.000 2.363 70 D HA 0.035 4.672 4.640 -0.005 0.000 0.263 70 D C -0.143 176.240 176.300 0.138 0.000 1.258 70 D CA 0.389 54.474 54.000 0.143 0.000 0.907 70 D CB 0.550 41.490 40.800 0.234 0.000 1.107 70 D HN 0.474 nan 8.370 nan 0.000 0.495 71 Q N 1.922 121.775 119.800 0.088 0.000 2.165 71 Q HA 0.185 4.522 4.340 -0.005 0.000 0.245 71 Q C 0.988 176.973 176.000 -0.024 0.000 0.841 71 Q CA -0.329 55.504 55.803 0.049 0.000 1.078 71 Q CB 0.701 29.453 28.738 0.023 0.000 1.169 71 Q HN 0.304 nan 8.270 nan 0.000 0.475 72 S N 0.150 115.803 115.700 -0.079 0.000 2.436 72 S HA 0.048 4.515 4.470 -0.005 0.000 0.228 72 S C 0.262 174.394 174.600 -0.781 0.000 1.014 72 S CA 0.575 58.493 58.200 -0.470 0.000 0.950 72 S CB 0.089 62.883 63.200 -0.678 0.000 0.784 72 S HN 0.348 nan 8.310 nan 0.000 0.504 73 F N 1.838 121.870 119.950 0.137 0.000 2.597 73 F HA 0.420 4.943 4.527 -0.005 0.000 0.336 73 F C -2.934 172.951 175.800 0.143 0.000 1.432 73 F CA -2.989 55.084 58.000 0.122 0.000 1.120 73 F CB -0.106 39.004 39.000 0.184 0.000 1.253 73 F HN -0.120 nan 8.300 nan 0.000 0.546 74 P HA 0.180 nan 4.420 nan 0.000 0.264 74 P C 1.036 178.430 177.300 0.156 0.000 1.183 74 P CA 1.036 64.222 63.100 0.143 0.000 0.763 74 P CB 0.794 32.540 31.700 0.077 0.000 0.807 75 G N 1.555 110.438 108.800 0.138 0.000 2.175 75 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.244 75 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.244 75 G C -0.295 174.707 174.900 0.171 0.000 0.982 75 G CA -0.408 44.762 45.100 0.117 0.000 0.641 75 G HN 0.541 nan 8.290 nan 0.000 0.527 76 F N 1.467 121.426 119.950 0.014 0.000 2.411 76 F HA 0.731 5.255 4.527 -0.005 0.000 0.352 76 F C 1.138 176.898 175.800 -0.066 0.000 1.123 76 F CA -1.349 56.615 58.000 -0.060 0.000 1.044 76 F CB 1.285 40.217 39.000 -0.112 0.000 1.135 76 F HN 0.097 nan 8.300 nan 0.000 0.461 77 H N 4.007 122.664 119.070 -0.687 0.000 2.387 77 H HA 0.031 4.584 4.556 -0.005 0.000 0.299 77 H C 2.104 176.953 175.328 -0.797 0.000 1.090 77 H CA 1.992 57.679 56.048 -0.601 0.000 1.332 77 H CB -0.214 29.298 29.762 -0.416 0.000 1.386 77 H HN 0.801 nan 8.280 nan 0.000 0.516 78 G N -1.020 106.751 108.800 -1.715 0.000 2.450 78 G HA2 -0.283 3.674 3.960 -0.005 0.000 0.220 78 G HA3 -0.283 3.674 3.960 -0.005 0.000 0.220 78 G C 1.789 176.503 174.900 -0.310 0.000 1.130 78 G CA 1.415 45.694 45.100 -1.368 0.000 0.760 78 G HN 0.597 nan 8.290 nan 0.000 0.557 79 S N -0.758 114.761 115.700 -0.301 0.000 2.527 79 S HA 0.166 4.632 4.470 -0.005 0.000 0.227 79 S C 1.729 176.468 174.600 0.231 0.000 1.059 79 S CA 0.508 58.952 58.200 0.406 0.000 0.919 79 S CB 0.058 63.694 63.200 0.728 0.000 0.805 79 S HN 0.415 nan 8.310 nan 0.000 0.500 80 E N 2.095 122.292 120.200 -0.005 0.000 2.347 80 E HA -0.049 4.297 4.350 -0.005 0.000 0.196 80 E C 1.992 178.499 176.600 -0.154 0.000 1.008 80 E CA 1.190 57.580 56.400 -0.018 0.000 0.852 80 E CB -0.447 29.250 29.700 -0.006 0.000 0.783 80 E HN 0.827 nan 8.360 nan 0.000 0.505 81 M N -1.639 117.712 119.600 -0.415 0.000 2.446 81 M HA -0.097 4.379 4.480 -0.005 0.000 0.263 81 M C 0.964 176.828 176.300 -0.726 0.000 1.066 81 M CA 1.441 56.336 55.300 -0.676 0.000 1.087 81 M CB -0.435 31.518 32.600 -1.078 0.000 1.406 81 M HN 0.048 nan 8.290 nan 0.000 0.459 82 W N 0.856 122.069 121.300 -0.145 0.000 3.107 82 W HA 0.284 4.940 4.660 -0.005 0.000 0.293 82 W C 0.267 176.726 176.519 -0.101 0.000 1.239 82 W CA -0.858 56.408 57.345 -0.131 0.000 1.653 82 W CB -0.124 29.294 29.460 -0.070 0.000 1.068 82 W HN 0.082 nan 8.180 nan 0.000 0.615 83 N N 1.992 120.740 118.700 0.079 0.000 2.525 83 N HA 0.135 4.871 4.740 -0.005 0.000 0.271 83 N C -2.323 173.158 175.510 -0.049 0.000 1.194 83 N CA -1.231 51.838 53.050 0.031 0.000 0.964 83 N CB -0.046 38.461 38.487 0.034 0.000 1.126 83 N HN -0.299 nan 8.380 nan 0.000 0.452 84 P HA 0.050 nan 4.420 nan 0.000 0.267 84 P C 0.187 177.430 177.300 -0.095 0.000 1.201 84 P CA 0.098 63.142 63.100 -0.094 0.000 0.775 84 P CB 0.384 32.042 31.700 -0.070 0.000 0.854 85 N N -0.976 117.651 118.700 -0.121 0.000 2.387 85 N HA 0.084 4.821 4.740 -0.005 0.000 0.259 85 N C -0.932 174.521 175.510 -0.096 0.000 1.369 85 N CA -0.345 52.639 53.050 -0.111 0.000 0.867 85 N CB -0.130 38.270 38.487 -0.144 0.000 1.341 85 N HN 0.388 nan 8.380 nan 0.000 0.495 86 T N -3.261 111.243 114.554 -0.083 0.000 2.903 86 T HA 0.434 4.780 4.350 -0.005 0.000 0.299 86 T C -0.806 173.867 174.700 -0.045 0.000 1.093 86 T CA -0.628 61.440 62.100 -0.054 0.000 1.002 86 T CB 1.556 70.398 68.868 -0.045 0.000 1.127 86 T HN -0.070 nan 8.240 nan 0.000 0.488 87 D N 0.980 121.358 120.400 -0.037 0.000 2.622 87 D HA 0.182 4.819 4.640 -0.005 0.000 0.227 87 D C -0.086 176.200 176.300 -0.024 0.000 1.159 87 D CA 0.848 54.830 54.000 -0.029 0.000 0.865 87 D CB 0.217 41.000 40.800 -0.029 0.000 1.207 87 D HN 0.439 nan 8.370 nan 0.000 0.492 88 L N 1.412 122.625 121.223 -0.016 0.000 2.343 88 L HA 0.625 4.961 4.340 -0.005 0.000 0.275 88 L C 0.273 177.142 176.870 -0.002 0.000 1.056 88 L CA -0.519 54.317 54.840 -0.008 0.000 0.804 88 L CB 1.475 43.531 42.059 -0.006 0.000 1.203 88 L HN 0.383 nan 8.230 nan 0.000 0.440 89 S N 0.372 116.077 115.700 0.008 0.000 2.586 89 S HA 0.167 4.634 4.470 -0.005 0.000 0.277 89 S C 0.117 174.726 174.600 0.015 0.000 1.131 89 S CA -0.673 57.533 58.200 0.010 0.000 0.848 89 S CB 1.479 64.689 63.200 0.017 0.000 1.091 89 S HN 0.764 nan 8.310 nan 0.000 0.453 90 E N 0.840 121.039 120.200 -0.002 0.000 2.204 90 E HA -0.092 4.255 4.350 -0.005 0.000 0.194 90 E C -0.236 176.367 176.600 0.005 0.000 0.989 90 E CA 0.715 57.105 56.400 -0.017 0.000 0.824 90 E CB -0.003 29.665 29.700 -0.054 0.000 0.756 90 E HN 0.571 nan 8.360 nan 0.000 0.477 91 D N 0.401 120.824 120.400 0.038 0.000 2.416 91 D HA -0.010 4.627 4.640 -0.005 0.000 0.240 91 D C -0.004 176.422 176.300 0.211 0.000 1.250 91 D CA -0.171 53.887 54.000 0.097 0.000 0.967 91 D CB 0.082 40.951 40.800 0.116 0.000 1.059 91 D HN 0.159 nan 8.370 nan 0.000 0.512 92 c N 2.789 121.500 118.600 0.186 0.000 3.935 92 c HA 0.349 4.916 4.570 -0.005 0.000 0.301 92 c C 0.438 174.664 174.090 0.228 0.000 1.874 92 c CA -0.676 55.823 56.329 0.284 0.000 1.723 92 c CB -1.258 41.343 42.510 0.152 0.000 3.192 92 c HN 0.426 nan 8.230 nan 0.000 0.577 93 L N 2.530 123.660 121.223 -0.155 0.000 2.404 93 L HA 0.434 4.771 4.340 -0.005 0.000 0.277 93 L C -0.900 175.465 176.870 -0.841 0.000 1.184 93 L CA 0.504 55.035 54.840 -0.515 0.000 1.013 93 L CB -0.576 41.024 42.059 -0.765 0.000 1.318 93 L HN 0.376 nan 8.230 nan 0.000 0.435 94 Y N 2.265 122.602 120.300 0.061 0.000 2.581 94 Y HA 0.645 5.192 4.550 -0.005 0.000 0.345 94 Y C -0.172 175.896 175.900 0.281 0.000 1.036 94 Y CA -1.180 57.008 58.100 0.148 0.000 1.042 94 Y CB 2.118 40.634 38.460 0.094 0.000 1.289 94 Y HN 0.219 nan 8.280 nan 0.000 0.471 95 L N -0.206 121.149 121.223 0.220 0.000 2.303 95 L HA 0.764 5.101 4.340 -0.005 0.000 0.256 95 L C -1.326 175.507 176.870 -0.061 0.000 1.034 95 L CA -1.291 53.550 54.840 0.001 0.000 0.832 95 L CB 1.672 43.550 42.059 -0.302 0.000 1.403 95 L HN 0.473 nan 8.230 nan 0.000 0.419 96 N N 0.052 118.711 118.700 -0.069 0.000 2.238 96 N HA 0.732 5.469 4.740 -0.005 0.000 0.302 96 N C -1.466 173.910 175.510 -0.222 0.000 1.072 96 N CA -0.407 52.517 53.050 -0.210 0.000 0.792 96 N CB 2.878 41.179 38.487 -0.310 0.000 1.425 96 N HN 0.530 nan 8.380 nan 0.000 0.478 97 V N 0.968 120.711 119.914 -0.283 0.000 2.588 97 V HA 0.500 4.617 4.120 -0.005 0.000 0.304 97 V C -0.782 175.291 176.094 -0.036 0.000 1.042 97 V CA -0.833 61.417 62.300 -0.083 0.000 0.877 97 V CB 2.427 34.148 31.823 -0.169 0.000 0.996 97 V HN 0.565 nan 8.190 nan 0.000 0.425 98 W N 5.501 126.906 121.300 0.175 0.000 2.532 98 W HA 0.723 5.380 4.660 -0.005 0.000 0.321 98 W C -0.408 176.218 176.519 0.179 0.000 1.037 98 W CA -0.532 56.914 57.345 0.168 0.000 1.220 98 W CB 2.118 31.637 29.460 0.099 0.000 1.361 98 W HN 0.648 nan 8.180 nan 0.000 0.468 99 I N 1.528 122.340 120.570 0.403 0.000 2.603 99 I HA 0.645 4.812 4.170 -0.005 0.000 0.300 99 I C -2.590 173.672 176.117 0.242 0.000 1.017 99 I CA -3.088 58.401 61.300 0.315 0.000 1.098 99 I CB 1.993 40.199 38.000 0.345 0.000 1.279 99 I HN -0.053 nan 8.210 nan 0.000 0.437 100 P HA 0.279 nan 4.420 nan 0.000 0.272 100 P C -1.123 176.256 177.300 0.133 0.000 1.240 100 P CA -0.277 62.907 63.100 0.140 0.000 0.791 100 P CB 0.759 32.529 31.700 0.117 0.000 0.978 101 A N 1.730 124.613 122.820 0.104 0.000 2.359 101 A HA 0.645 4.962 4.320 -0.005 0.000 0.303 101 A C -2.450 175.178 177.584 0.074 0.000 1.066 101 A CA -1.397 50.693 52.037 0.089 0.000 0.730 101 A CB 0.260 19.307 19.000 0.078 0.000 1.211 101 A HN 0.406 nan 8.150 nan 0.000 0.439 102 P HA 0.101 nan 4.420 nan 0.000 0.269 102 P C -0.336 177.013 177.300 0.082 0.000 1.209 102 P CA -0.325 62.816 63.100 0.069 0.000 0.776 102 P CB 0.564 32.298 31.700 0.056 0.000 0.876 103 K N 3.662 124.115 120.400 0.089 0.000 2.504 103 K HA 0.020 4.336 4.320 -0.005 0.000 0.278 103 K C -1.698 174.955 176.600 0.087 0.000 1.025 103 K CA -0.875 55.474 56.287 0.103 0.000 1.093 103 K CB -0.179 32.378 32.500 0.096 0.000 0.873 103 K HN 0.358 nan 8.250 nan 0.000 0.483 104 P HA 0.065 nan 4.420 nan 0.000 0.274 104 P C -0.252 177.089 177.300 0.068 0.000 1.256 104 P CA -0.367 62.781 63.100 0.080 0.000 0.795 104 P CB 0.895 32.649 31.700 0.090 0.000 1.038 105 K N 0.170 120.604 120.400 0.056 0.000 2.121 105 K HA 0.045 4.362 4.320 -0.005 0.000 0.203 105 K C 0.595 177.221 176.600 0.043 0.000 1.041 105 K CA 1.043 57.357 56.287 0.045 0.000 0.969 105 K CB -0.072 32.451 32.500 0.038 0.000 0.799 105 K HN 0.380 nan 8.250 nan 0.000 0.456 106 N N 0.018 118.745 118.700 0.044 0.000 2.635 106 N HA 0.166 4.903 4.740 -0.005 0.000 0.252 106 N C -1.674 173.857 175.510 0.035 0.000 1.589 106 N CA -0.043 53.029 53.050 0.037 0.000 0.828 106 N CB 0.720 39.224 38.487 0.029 0.000 1.403 106 N HN 0.061 nan 8.380 nan 0.000 0.518 107 A N 0.061 122.908 122.820 0.045 0.000 2.322 107 A HA 0.582 4.898 4.320 -0.005 0.000 0.269 107 A C 0.502 178.099 177.584 0.022 0.000 1.094 107 A CA 0.011 52.071 52.037 0.038 0.000 0.807 107 A CB 0.198 19.234 19.000 0.061 0.000 1.047 107 A HN 0.297 nan 8.150 nan 0.000 0.487 108 T N 1.012 115.561 114.554 -0.009 0.000 2.918 108 T HA 0.423 4.770 4.350 -0.005 0.000 0.302 108 T C -0.041 174.664 174.700 0.008 0.000 1.045 108 T CA 0.023 62.105 62.100 -0.029 0.000 1.114 108 T CB 0.557 69.362 68.868 -0.103 0.000 0.965 108 T HN 0.455 nan 8.240 nan 0.000 0.540 109 V N 4.032 123.960 119.914 0.023 0.000 2.487 109 V HA 0.403 4.520 4.120 -0.005 0.000 0.298 109 V C -0.679 175.459 176.094 0.073 0.000 1.028 109 V CA -0.958 61.383 62.300 0.068 0.000 0.860 109 V CB 1.492 33.368 31.823 0.089 0.000 0.991 109 V HN 0.547 nan 8.190 nan 0.000 0.427 110 L N 5.948 127.231 121.223 0.098 0.000 2.272 110 L HA 0.555 4.892 4.340 -0.005 0.000 0.289 110 L C -0.167 176.942 176.870 0.399 0.000 1.032 110 L CA -0.037 54.884 54.840 0.136 0.000 0.810 110 L CB 1.302 43.296 42.059 -0.108 0.000 1.205 110 L HN 0.466 nan 8.230 nan 0.000 0.422 111 I N 2.919 123.759 120.570 0.450 0.000 2.330 111 I HA 0.184 4.351 4.170 -0.005 0.000 0.289 111 I C -0.468 175.910 176.117 0.436 0.000 1.001 111 I CA -0.598 60.935 61.300 0.390 0.000 1.193 111 I CB 1.182 39.281 38.000 0.165 0.000 1.345 111 I HN 0.646 nan 8.210 nan 0.000 0.461 112 W N 8.386 129.742 121.300 0.094 0.000 2.315 112 W HA 0.522 5.178 4.660 -0.006 0.000 0.316 112 W C -1.351 175.031 176.519 -0.228 0.000 1.211 112 W CA -0.546 56.586 57.345 -0.355 0.000 1.201 112 W CB 1.174 30.501 29.460 -0.221 0.000 1.184 112 W HN 0.365 nan 8.180 nan 0.000 0.544 113 I N 8.879 128.818 120.570 -1.052 0.000 2.420 113 I HA 0.067 4.233 4.170 -0.005 0.000 0.282 113 I C -0.307 175.064 176.117 -1.243 0.000 1.019 113 I CA -1.101 59.648 61.300 -0.918 0.000 1.130 113 I CB 0.655 38.282 38.000 -0.622 0.000 1.262 113 I HN 0.283 nan 8.210 nan 0.000 0.454 114 Y N 4.451 124.296 120.300 -0.758 0.000 2.550 114 Y HA 0.615 5.162 4.550 -0.005 0.000 0.343 114 Y C 0.839 176.589 175.900 -0.250 0.000 1.245 114 Y CA -0.747 57.028 58.100 -0.543 0.000 1.462 114 Y CB -0.121 38.283 38.460 -0.093 0.000 1.340 114 Y HN 0.527 nan 8.280 nan 0.000 0.604 115 G N -0.573 108.238 108.800 0.020 0.000 2.531 115 G HA2 0.481 4.437 3.960 -0.005 0.000 0.281 115 G HA3 0.481 4.437 3.960 -0.005 0.000 0.281 115 G C 0.350 175.277 174.900 0.044 0.000 1.382 115 G CA -0.875 44.186 45.100 -0.064 0.000 1.045 115 G HN 1.734 nan 8.290 nan 0.000 0.533 116 G N -1.846 106.842 108.800 -0.187 0.000 2.207 116 G HA2 -0.021 3.936 3.960 -0.005 0.000 0.193 116 G HA3 -0.021 3.936 3.960 -0.005 0.000 0.193 116 G C 0.321 175.242 174.900 0.036 0.000 1.050 116 G CA 0.360 45.401 45.100 -0.098 0.000 0.780 116 G HN 1.617 nan 8.290 nan 0.000 0.504 117 H N -1.717 117.240 119.070 -0.188 0.000 2.684 117 H HA -0.303 4.250 4.556 -0.005 0.000 0.309 117 H C 1.312 176.658 175.328 0.030 0.000 1.102 117 H CA 1.015 56.957 56.048 -0.177 0.000 1.147 117 H CB -1.944 27.743 29.762 -0.126 0.000 1.391 117 H HN 1.223 nan 8.280 nan 0.000 0.398 118 F N -1.375 118.656 119.950 0.136 0.000 2.987 118 F HA -0.315 4.209 4.527 -0.006 0.000 0.309 118 F C 1.417 177.316 175.800 0.164 0.000 0.724 118 F CA 1.815 59.874 58.000 0.097 0.000 1.079 118 F CB -1.263 37.589 39.000 -0.246 0.000 1.432 118 F HN 0.402 nan 8.300 nan 0.000 0.351 119 Q N -0.712 119.270 119.800 0.303 0.000 2.214 119 Q HA 0.308 4.645 4.340 -0.005 0.000 0.229 119 Q C 0.962 177.074 176.000 0.186 0.000 0.835 119 Q CA 1.194 57.141 55.803 0.240 0.000 0.953 119 Q CB 1.220 30.049 28.738 0.151 0.000 1.131 119 Q HN 0.579 nan 8.270 nan 0.000 0.501 120 T N -3.457 111.211 114.554 0.190 0.000 2.711 120 T HA 0.767 5.114 4.350 -0.005 0.000 0.302 120 T C -0.086 174.657 174.700 0.072 0.000 1.373 120 T CA -0.396 61.772 62.100 0.113 0.000 1.000 120 T CB 2.129 71.068 68.868 0.119 0.000 1.483 120 T HN 0.283 nan 8.240 nan 0.000 0.499 121 G N -0.870 107.879 108.800 -0.084 0.000 2.406 121 G HA2 0.445 4.402 3.960 -0.005 0.000 0.680 121 G HA3 0.445 4.402 3.960 -0.005 0.000 0.680 121 G C -0.670 173.678 174.900 -0.920 0.000 1.338 121 G CA 0.026 44.906 45.100 -0.366 0.000 0.941 121 G HN 1.668 nan 8.290 nan 0.000 0.633 122 T N -1.621 112.194 114.554 -1.232 0.000 2.893 122 T HA 0.632 4.979 4.350 -0.005 0.000 0.337 122 T C 1.325 175.776 174.700 -0.416 0.000 1.587 122 T CA 0.963 62.525 62.100 -0.897 0.000 1.066 122 T CB 1.087 69.751 68.868 -0.339 0.000 1.414 122 T HN 2.094 nan 8.240 nan 0.000 0.488 123 S N 1.073 116.800 115.700 0.044 0.000 2.527 123 S HA 0.020 4.487 4.470 -0.005 0.000 0.222 123 S C 1.686 176.428 174.600 0.237 0.000 0.985 123 S CA 0.979 59.431 58.200 0.419 0.000 0.921 123 S CB -0.287 63.224 63.200 0.519 0.000 0.772 123 S HN 0.850 nan 8.310 nan 0.000 0.529 124 S N 1.213 116.841 115.700 -0.120 0.000 2.671 124 S HA 0.354 4.821 4.470 -0.005 0.000 0.220 124 S C 0.426 174.682 174.600 -0.574 0.000 0.951 124 S CA -0.618 57.143 58.200 -0.732 0.000 0.932 124 S CB -0.749 61.844 63.200 -1.011 0.000 0.777 124 S HN 0.476 nan 8.310 nan 0.000 0.508 125 L N 1.548 122.586 121.223 -0.309 0.000 2.439 125 L HA 0.238 4.575 4.340 -0.005 0.000 0.269 125 L C 2.089 178.739 176.870 -0.367 0.000 1.179 125 L CA -0.471 54.114 54.840 -0.425 0.000 0.828 125 L CB 0.215 41.834 42.059 -0.734 0.000 1.106 125 L HN 0.234 nan 8.230 nan 0.000 0.467 126 H N 2.490 121.318 119.070 -0.404 0.000 2.353 126 H HA -0.160 4.393 4.556 -0.005 0.000 0.298 126 H C 1.597 176.701 175.328 -0.373 0.000 1.103 126 H CA 2.252 58.125 56.048 -0.291 0.000 1.293 126 H CB 0.020 29.648 29.762 -0.223 0.000 1.372 126 H HN 0.427 nan 8.280 nan 0.000 0.501 127 V N -1.703 117.810 119.914 -0.669 0.000 3.510 127 V HA -0.034 4.083 4.120 -0.005 0.000 0.270 127 V C 0.647 176.188 176.094 -0.923 0.000 1.201 127 V CA 0.767 62.620 62.300 -0.745 0.000 1.166 127 V CB -1.091 30.316 31.823 -0.694 0.000 0.825 127 V HN 0.254 nan 8.190 nan 0.000 0.484 128 Y N -0.146 119.597 120.300 -0.929 0.000 2.636 128 Y HA 0.465 5.012 4.550 -0.005 0.000 0.260 128 Y C 0.731 176.004 175.900 -1.044 0.000 1.177 128 Y CA -1.952 55.243 58.100 -1.509 0.000 1.209 128 Y CB -0.418 37.604 38.460 -0.731 0.000 1.166 128 Y HN 0.262 nan 8.280 nan 0.000 0.531 129 D N 0.511 120.582 120.400 -0.549 0.000 2.338 129 D HA 0.124 4.761 4.640 -0.005 0.000 0.255 129 D C 1.413 177.298 176.300 -0.691 0.000 1.237 129 D CA 0.269 54.023 54.000 -0.411 0.000 0.883 129 D CB 1.411 42.118 40.800 -0.155 0.000 1.087 129 D HN 0.440 nan 8.370 nan 0.000 0.485 130 G N 3.820 111.679 108.800 -1.567 0.000 2.848 130 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.208 130 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.208 130 G C 1.382 175.606 174.900 -1.127 0.000 1.152 130 G CA 0.392 44.767 45.100 -1.208 0.000 0.789 130 G HN 0.613 nan 8.290 nan 0.000 0.531 131 K N -0.259 119.315 120.400 -1.378 0.000 2.147 131 K HA -0.052 4.265 4.320 -0.005 0.000 0.205 131 K C 1.680 177.930 176.600 -0.583 0.000 1.049 131 K CA 0.965 56.745 56.287 -0.844 0.000 0.936 131 K CB -0.443 31.648 32.500 -0.682 0.000 0.722 131 K HN 0.269 nan 8.250 nan 0.000 0.446 132 F N 1.687 121.494 119.950 -0.238 0.000 2.234 132 F HA 0.075 4.599 4.527 -0.006 0.000 0.296 132 F C 2.166 177.936 175.800 -0.050 0.000 1.089 132 F CA 0.509 58.428 58.000 -0.135 0.000 1.343 132 F CB -0.533 38.437 39.000 -0.051 0.000 1.040 132 F HN -0.144 nan 8.300 nan 0.000 0.498 133 L N -0.384 120.876 121.223 0.061 0.000 2.141 133 L HA -0.159 4.178 4.340 -0.005 0.000 0.209 133 L C 2.635 179.522 176.870 0.029 0.000 1.094 133 L CA 1.063 55.915 54.840 0.021 0.000 0.763 133 L CB -0.766 41.261 42.059 -0.054 0.000 0.908 133 L HN 0.165 nan 8.230 nan 0.000 0.437 134 A N 0.038 122.864 122.820 0.009 0.000 1.872 134 A HA -0.225 4.091 4.320 -0.005 0.000 0.214 134 A C 2.306 179.931 177.584 0.070 0.000 1.187 134 A CA 1.593 53.667 52.037 0.062 0.000 0.614 134 A CB -0.455 18.607 19.000 0.104 0.000 0.826 134 A HN 0.288 nan 8.150 nan 0.000 0.442 135 R N -0.149 120.380 120.500 0.049 0.000 2.096 135 R HA -0.116 4.221 4.340 -0.005 0.000 0.240 135 R C 1.748 178.127 176.300 0.133 0.000 1.139 135 R CA 2.491 58.642 56.100 0.084 0.000 0.952 135 R CB -0.950 29.384 30.300 0.056 0.000 0.854 135 R HN 0.261 nan 8.270 nan 0.000 0.436 136 V N 0.176 120.183 119.914 0.155 0.000 2.500 136 V HA 0.010 4.127 4.120 -0.005 0.000 0.243 136 V C 1.444 177.599 176.094 0.100 0.000 1.039 136 V CA 1.614 64.009 62.300 0.158 0.000 1.053 136 V CB -0.213 31.725 31.823 0.191 0.000 0.695 136 V HN 0.300 nan 8.190 nan 0.000 0.463 137 E N -0.223 120.025 120.200 0.079 0.000 2.526 137 E HA 0.175 4.522 4.350 -0.005 0.000 0.208 137 E C 0.135 176.768 176.600 0.055 0.000 0.997 137 E CA -0.215 56.220 56.400 0.058 0.000 0.961 137 E CB 0.366 30.088 29.700 0.037 0.000 1.030 137 E HN 0.449 nan 8.360 nan 0.000 0.483 138 R N 0.016 120.556 120.500 0.067 0.000 3.502 138 R HA -0.145 4.192 4.340 -0.005 0.000 0.266 138 R C 0.537 176.873 176.300 0.059 0.000 1.077 138 R CA 0.776 56.918 56.100 0.070 0.000 0.718 138 R CB -3.026 27.316 30.300 0.070 0.000 1.120 138 R HN 0.105 nan 8.270 nan 0.000 0.457 139 V N -2.422 117.522 119.914 0.051 0.000 2.837 139 V HA 0.669 4.786 4.120 -0.005 0.000 0.310 139 V C 1.042 177.194 176.094 0.096 0.000 1.059 139 V CA -1.124 61.204 62.300 0.047 0.000 1.004 139 V CB 2.105 33.934 31.823 0.009 0.000 1.045 139 V HN 0.147 nan 8.190 nan 0.000 0.465 140 I N 2.181 122.819 120.570 0.114 0.000 2.365 140 I HA 0.464 4.631 4.170 -0.005 0.000 0.291 140 I C -0.396 175.843 176.117 0.204 0.000 1.004 140 I CA -0.369 61.035 61.300 0.174 0.000 1.311 140 I CB 1.745 39.839 38.000 0.158 0.000 1.401 140 I HN 0.479 nan 8.210 nan 0.000 0.491 141 V N 7.140 127.239 119.914 0.308 0.000 2.459 141 V HA 0.502 4.619 4.120 -0.005 0.000 0.295 141 V C -0.188 176.208 176.094 0.503 0.000 1.029 141 V CA -0.672 61.861 62.300 0.389 0.000 0.874 141 V CB 1.887 33.928 31.823 0.363 0.000 0.985 141 V HN 0.376 nan 8.190 nan 0.000 0.438 142 V N 3.546 123.721 119.914 0.434 0.000 2.735 142 V HA 0.826 4.942 4.120 -0.005 0.000 0.310 142 V C -0.185 176.151 176.094 0.403 0.000 1.061 142 V CA -0.351 62.155 62.300 0.343 0.000 0.913 142 V CB 2.340 34.277 31.823 0.189 0.000 1.005 142 V HN 1.050 nan 8.190 nan 0.000 0.428 143 S N 4.799 120.715 115.700 0.361 0.000 2.546 143 S HA 0.873 5.340 4.470 -0.005 0.000 0.274 143 S C -0.904 173.824 174.600 0.213 0.000 1.121 143 S CA -0.837 57.574 58.200 0.353 0.000 0.887 143 S CB 2.301 65.841 63.200 0.568 0.000 1.094 143 S HN 0.888 nan 8.310 nan 0.000 0.474 144 M N 1.280 120.975 119.600 0.160 0.000 2.662 144 M HA 0.648 5.125 4.480 -0.005 0.000 0.310 144 M C -1.760 174.749 176.300 0.348 0.000 1.204 144 M CA -0.554 54.830 55.300 0.140 0.000 0.891 144 M CB 1.229 33.748 32.600 -0.135 0.000 1.732 144 M HN 0.566 nan 8.290 nan 0.000 0.467 145 N N 2.604 121.568 118.700 0.441 0.000 2.479 145 N HA 0.562 5.298 4.740 -0.005 0.000 0.285 145 N C -1.385 174.398 175.510 0.455 0.000 1.075 145 N CA 0.065 53.402 53.050 0.479 0.000 0.967 145 N CB 0.715 39.427 38.487 0.376 0.000 1.137 145 N HN 0.739 nan 8.380 nan 0.000 0.472 146 Y N -1.542 118.944 120.300 0.309 0.000 2.545 146 Y HA 0.577 5.124 4.550 -0.005 0.000 0.348 146 Y C -0.059 175.978 175.900 0.228 0.000 1.002 146 Y CA -1.365 56.858 58.100 0.205 0.000 1.039 146 Y CB 0.957 39.465 38.460 0.081 0.000 1.271 146 Y HN 0.189 nan 8.280 nan 0.000 0.467 147 R N 1.840 122.496 120.500 0.260 0.000 2.537 147 R HA 0.494 4.831 4.340 -0.005 0.000 0.280 147 R C -0.408 176.066 176.300 0.289 0.000 1.058 147 R CA -0.238 55.960 56.100 0.163 0.000 1.057 147 R CB 0.877 31.224 30.300 0.077 0.000 0.973 147 R HN 0.716 nan 8.270 nan 0.000 0.438 148 V N -0.110 119.959 119.914 0.258 0.000 3.113 148 V HA 0.898 5.015 4.120 -0.005 0.000 0.316 148 V C 0.720 177.037 176.094 0.372 0.000 1.125 148 V CA -0.111 62.443 62.300 0.423 0.000 1.026 148 V CB 1.262 33.249 31.823 0.274 0.000 1.080 148 V HN 0.970 nan 8.190 nan 0.000 0.444 149 G N 1.004 110.066 108.800 0.437 0.000 2.564 149 G HA2 0.018 3.975 3.960 -0.005 0.000 0.273 149 G HA3 0.018 3.975 3.960 -0.005 0.000 0.273 149 G C 0.973 176.025 174.900 0.254 0.000 1.242 149 G CA 0.955 46.269 45.100 0.356 0.000 0.951 149 G HN 2.181 nan 8.290 nan 0.000 0.564 150 A N -0.986 121.775 122.820 -0.099 0.000 1.929 150 A HA 0.294 4.611 4.320 -0.005 0.000 0.216 150 A C 2.674 180.250 177.584 -0.014 0.000 1.176 150 A CA 2.097 53.804 52.037 -0.550 0.000 0.628 150 A CB -0.366 18.067 19.000 -0.945 0.000 0.816 150 A HN 1.042 nan 8.150 nan 0.000 0.444 151 L N -0.903 120.373 121.223 0.088 0.000 2.261 151 L HA -0.146 4.191 4.340 -0.005 0.000 0.216 151 L C 2.417 179.342 176.870 0.092 0.000 1.114 151 L CA 1.080 55.970 54.840 0.083 0.000 0.777 151 L CB -0.329 41.710 42.059 -0.033 0.000 0.910 151 L HN 0.516 nan 8.230 nan 0.000 0.440 152 G N -2.268 106.598 108.800 0.110 0.000 2.850 152 G HA2 0.046 4.002 3.960 -0.005 0.000 0.211 152 G HA3 0.046 4.002 3.960 -0.005 0.000 0.211 152 G C 0.860 175.552 174.900 -0.346 0.000 1.124 152 G CA -0.056 45.010 45.100 -0.057 0.000 0.769 152 G HN 0.295 nan 8.290 nan 0.000 0.535 153 F N -0.540 119.470 119.950 0.101 0.000 2.915 153 F HA 0.430 4.954 4.527 -0.005 0.000 0.347 153 F C 0.459 176.318 175.800 0.098 0.000 1.104 153 F CA -0.861 57.195 58.000 0.094 0.000 1.126 153 F CB 0.529 39.596 39.000 0.113 0.000 1.145 153 F HN -0.091 nan 8.300 nan 0.000 0.541 154 L N 2.138 123.404 121.223 0.072 0.000 2.559 154 L HA 0.386 4.722 4.340 -0.005 0.000 0.282 154 L C 0.064 176.938 176.870 0.008 0.000 1.232 154 L CA 0.398 55.194 54.840 -0.074 0.000 0.885 154 L CB 0.351 42.164 42.059 -0.410 0.000 1.131 154 L HN 0.141 nan 8.230 nan 0.000 0.498 155 A N 5.477 128.330 122.820 0.056 0.000 2.455 155 A HA 0.732 5.048 4.320 -0.005 0.000 0.300 155 A C -1.427 176.167 177.584 0.017 0.000 1.040 155 A CA -0.500 51.562 52.037 0.043 0.000 0.697 155 A CB 1.417 20.471 19.000 0.091 0.000 1.265 155 A HN 0.614 nan 8.150 nan 0.000 0.407 156 L N 3.524 124.746 121.223 -0.001 0.000 2.457 156 L HA 0.411 4.748 4.340 -0.005 0.000 0.259 156 L C -2.548 174.328 176.870 0.011 0.000 1.377 156 L CA -1.290 53.548 54.840 -0.004 0.000 0.887 156 L CB 1.557 43.595 42.059 -0.035 0.000 1.085 156 L HN 0.472 nan 8.230 nan 0.000 0.509 157 P HA 0.407 nan 4.420 nan 0.000 0.269 157 P C 0.838 178.155 177.300 0.029 0.000 1.215 157 P CA 0.993 64.115 63.100 0.036 0.000 0.780 157 P CB 1.219 32.946 31.700 0.045 0.000 0.898 158 G N 1.945 110.764 108.800 0.032 0.000 4.677 158 G HA2 -0.271 3.686 3.960 -0.005 0.000 0.215 158 G HA3 -0.271 3.686 3.960 -0.005 0.000 0.215 158 G C 0.479 175.389 174.900 0.018 0.000 1.506 158 G CA -0.013 45.101 45.100 0.024 0.000 1.016 158 G HN 0.752 nan 8.290 nan 0.000 0.653 159 N N 3.552 122.260 118.700 0.012 0.000 2.347 159 N HA 0.153 4.890 4.740 -0.005 0.000 0.278 159 N C -0.856 174.658 175.510 0.006 0.000 1.367 159 N CA -0.095 52.959 53.050 0.006 0.000 0.898 159 N CB 1.227 39.714 38.487 -0.001 0.000 1.203 159 N HN 0.285 nan 8.380 nan 0.000 0.491 160 P HA -0.044 nan 4.420 nan 0.000 0.230 160 P C 0.592 177.895 177.300 0.006 0.000 1.158 160 P CA 0.725 63.824 63.100 -0.003 0.000 0.769 160 P CB 0.456 32.148 31.700 -0.013 0.000 0.807 161 E N 0.298 120.506 120.200 0.013 0.000 2.204 161 E HA -0.003 4.344 4.350 -0.005 0.000 0.194 161 E C 0.901 177.532 176.600 0.051 0.000 0.989 161 E CA 0.850 57.270 56.400 0.033 0.000 0.824 161 E CB -0.165 29.551 29.700 0.028 0.000 0.756 161 E HN 0.224 nan 8.360 nan 0.000 0.477 162 A N 1.118 123.945 122.820 0.011 0.000 2.969 162 A HA 0.302 4.618 4.320 -0.005 0.000 0.303 162 A C -2.331 175.251 177.584 -0.003 0.000 1.198 162 A CA -0.846 51.184 52.037 -0.011 0.000 0.819 162 A CB 0.889 19.792 19.000 -0.161 0.000 1.385 162 A HN -0.124 nan 8.150 nan 0.000 0.479 163 P HA 0.305 nan 4.420 nan 0.000 0.257 163 P C 0.777 178.121 177.300 0.074 0.000 1.241 163 P CA 1.214 64.341 63.100 0.046 0.000 0.816 163 P CB 0.569 32.299 31.700 0.050 0.000 1.150 164 G N 0.966 109.807 108.800 0.069 0.000 2.662 164 G HA2 -0.145 3.812 3.960 -0.005 0.000 0.686 164 G HA3 -0.145 3.812 3.960 -0.005 0.000 0.686 164 G C -0.143 174.795 174.900 0.064 0.000 1.271 164 G CA -0.307 44.841 45.100 0.081 0.000 0.816 164 G HN 0.058 nan 8.290 nan 0.000 0.608 165 N N -1.489 117.194 118.700 -0.028 0.000 2.828 165 N HA -0.236 4.500 4.740 -0.005 0.000 0.248 165 N C 1.711 177.029 175.510 -0.321 0.000 1.044 165 N CA 2.135 55.046 53.050 -0.231 0.000 0.851 165 N CB -1.201 37.159 38.487 -0.213 0.000 1.136 165 N HN 0.763 nan 8.380 nan 0.000 0.572 166 M N -0.385 119.081 119.600 -0.223 0.000 2.089 166 M HA -0.087 4.389 4.480 -0.005 0.000 0.257 166 M C 2.409 178.594 176.300 -0.192 0.000 1.071 166 M CA 2.397 57.646 55.300 -0.085 0.000 1.096 166 M CB -0.795 31.760 32.600 -0.075 0.000 1.330 166 M HN 0.337 nan 8.290 nan 0.000 0.403 167 G N -0.518 107.954 108.800 -0.548 0.000 2.432 167 G HA2 -0.108 3.849 3.960 -0.005 0.000 0.219 167 G HA3 -0.108 3.849 3.960 -0.005 0.000 0.219 167 G C 1.588 176.353 174.900 -0.225 0.000 1.135 167 G CA 0.610 45.560 45.100 -0.250 0.000 0.767 167 G HN 0.412 nan 8.290 nan 0.000 0.550 168 L N -0.909 120.028 121.223 -0.476 0.000 2.093 168 L HA 0.063 4.400 4.340 -0.005 0.000 0.208 168 L C 2.617 179.214 176.870 -0.455 0.000 1.085 168 L CA 0.721 55.173 54.840 -0.647 0.000 0.755 168 L CB -0.342 40.902 42.059 -1.358 0.000 0.904 168 L HN 0.178 nan 8.230 nan 0.000 0.435 169 F N 0.162 119.969 119.950 -0.238 0.000 2.186 169 F HA -0.200 4.324 4.527 -0.005 0.000 0.299 169 F C 2.313 178.159 175.800 0.076 0.000 1.090 169 F CA 0.818 58.822 58.000 0.008 0.000 1.307 169 F CB -0.241 38.767 39.000 0.013 0.000 1.019 169 F HN 0.122 nan 8.300 nan 0.000 0.489 170 D N 0.320 120.859 120.400 0.233 0.000 2.106 170 D HA -0.229 4.408 4.640 -0.005 0.000 0.191 170 D C 2.122 178.573 176.300 0.251 0.000 0.997 170 D CA 1.509 55.687 54.000 0.296 0.000 0.834 170 D CB -0.687 40.293 40.800 0.300 0.000 0.956 170 D HN 0.382 nan 8.370 nan 0.000 0.448 171 Q N 0.245 120.103 119.800 0.096 0.000 2.061 171 Q HA -0.230 4.107 4.340 -0.005 0.000 0.204 171 Q C 2.292 178.313 176.000 0.036 0.000 0.984 171 Q CA 1.527 57.322 55.803 -0.013 0.000 0.846 171 Q CB -0.231 28.475 28.738 -0.054 0.000 0.902 171 Q HN 0.395 nan 8.270 nan 0.000 0.421 172 Q N 0.520 120.449 119.800 0.214 0.000 2.096 172 Q HA -0.209 4.128 4.340 -0.005 0.000 0.204 172 Q C 2.060 178.177 176.000 0.194 0.000 0.982 172 Q CA 1.170 57.136 55.803 0.271 0.000 0.850 172 Q CB -0.090 28.929 28.738 0.468 0.000 0.901 172 Q HN 0.329 nan 8.270 nan 0.000 0.422 173 L N 0.419 121.782 121.223 0.234 0.000 2.141 173 L HA -0.033 4.304 4.340 -0.005 0.000 0.209 173 L C 2.132 179.088 176.870 0.145 0.000 1.094 173 L CA 1.926 56.907 54.840 0.235 0.000 0.763 173 L CB -0.691 41.554 42.059 0.310 0.000 0.908 173 L HN 0.287 nan 8.230 nan 0.000 0.437 174 A N -0.452 122.306 122.820 -0.103 0.000 1.898 174 A HA -0.142 4.175 4.320 -0.005 0.000 0.216 174 A C 2.185 179.734 177.584 -0.058 0.000 1.181 174 A CA 1.802 53.616 52.037 -0.373 0.000 0.620 174 A CB -0.801 17.749 19.000 -0.750 0.000 0.819 174 A HN 0.489 nan 8.150 nan 0.000 0.442 175 L N -1.034 120.168 121.223 -0.035 0.000 2.042 175 L HA -0.269 4.068 4.340 -0.005 0.000 0.210 175 L C 2.813 179.744 176.870 0.101 0.000 1.076 175 L CA 1.860 56.715 54.840 0.026 0.000 0.749 175 L CB -0.797 41.251 42.059 -0.018 0.000 0.893 175 L HN 0.487 nan 8.230 nan 0.000 0.432 176 Q N 0.027 119.900 119.800 0.121 0.000 2.045 176 Q HA -0.288 4.049 4.340 -0.005 0.000 0.206 176 Q C 2.047 178.131 176.000 0.140 0.000 0.991 176 Q CA 2.424 58.305 55.803 0.130 0.000 0.851 176 Q CB -0.552 28.278 28.738 0.153 0.000 0.911 176 Q HN 0.496 nan 8.270 nan 0.000 0.418 177 W N -0.715 120.586 121.300 0.002 0.000 2.321 177 W HA -0.225 4.432 4.660 -0.006 0.000 0.306 177 W C 1.812 178.318 176.519 -0.021 0.000 1.217 177 W CA 1.815 59.158 57.345 -0.002 0.000 1.257 177 W CB -0.264 29.186 29.460 -0.017 0.000 1.145 177 W HN 0.052 nan 8.180 nan 0.000 0.509 178 V N 0.719 120.801 119.914 0.281 0.000 2.307 178 V HA -0.329 3.788 4.120 -0.005 0.000 0.245 178 V C 2.576 178.655 176.094 -0.025 0.000 1.045 178 V CA 2.030 64.419 62.300 0.148 0.000 1.024 178 V CB -1.067 30.872 31.823 0.193 0.000 0.651 178 V HN 0.160 nan 8.190 nan 0.000 0.449 179 Q N 0.373 120.180 119.800 0.012 0.000 2.062 179 Q HA -0.283 4.053 4.340 -0.005 0.000 0.209 179 Q C 2.245 178.195 176.000 -0.082 0.000 0.996 179 Q CA 2.007 57.801 55.803 -0.014 0.000 0.859 179 Q CB -0.425 28.325 28.738 0.021 0.000 0.920 179 Q HN 0.611 nan 8.270 nan 0.000 0.415 180 K N -0.367 119.948 120.400 -0.142 0.000 2.228 180 K HA 0.028 4.345 4.320 -0.005 0.000 0.202 180 K C 1.515 177.938 176.600 -0.296 0.000 1.051 180 K CA 0.665 56.836 56.287 -0.193 0.000 0.960 180 K CB 0.242 32.628 32.500 -0.189 0.000 0.743 180 K HN 0.163 nan 8.250 nan 0.000 0.458 181 N N 0.006 118.413 118.700 -0.489 0.000 2.257 181 N HA 0.029 4.765 4.740 -0.005 0.000 0.200 181 N C 1.303 176.627 175.510 -0.309 0.000 1.163 181 N CA 0.218 52.907 53.050 -0.601 0.000 0.891 181 N CB 0.488 38.109 38.487 -1.444 0.000 1.067 181 N HN -0.006 nan 8.380 nan 0.000 0.497 182 I N 2.090 122.519 120.570 -0.235 0.000 2.756 182 I HA -0.062 4.105 4.170 -0.005 0.000 0.262 182 I C 2.098 178.266 176.117 0.086 0.000 1.225 182 I CA 0.391 61.673 61.300 -0.030 0.000 1.472 182 I CB -0.119 37.872 38.000 -0.015 0.000 1.094 182 I HN 0.026 nan 8.210 nan 0.000 0.454 183 A N 0.192 123.024 122.820 0.019 0.000 1.933 183 A HA -0.104 4.213 4.320 -0.005 0.000 0.218 183 A C 2.509 180.114 177.584 0.035 0.000 1.175 183 A CA 1.507 53.557 52.037 0.023 0.000 0.628 183 A CB -0.988 18.003 19.000 -0.015 0.000 0.814 183 A HN 0.436 nan 8.150 nan 0.000 0.444 184 A N -1.078 121.755 122.820 0.022 0.000 1.972 184 A HA 0.008 4.325 4.320 -0.005 0.000 0.219 184 A C 1.545 179.047 177.584 -0.136 0.000 1.169 184 A CA 1.331 53.316 52.037 -0.087 0.000 0.635 184 A CB -0.671 18.211 19.000 -0.197 0.000 0.810 184 A HN 0.486 nan 8.150 nan 0.000 0.446 185 F N -0.807 119.097 119.950 -0.077 0.000 2.732 185 F HA 0.382 4.905 4.527 -0.005 0.000 0.303 185 F C 1.806 177.616 175.800 0.016 0.000 1.110 185 F CA 0.347 58.323 58.000 -0.040 0.000 1.355 185 F CB -0.130 38.836 39.000 -0.057 0.000 1.081 185 F HN 0.347 nan 8.300 nan 0.000 0.565 186 G N -0.196 108.698 108.800 0.157 0.000 2.176 186 G HA2 -0.165 3.792 3.960 -0.005 0.000 0.232 186 G HA3 -0.165 3.792 3.960 -0.005 0.000 0.232 186 G C 0.621 175.584 174.900 0.105 0.000 0.986 186 G CA -0.290 44.879 45.100 0.116 0.000 0.643 186 G HN 0.747 nan 8.290 nan 0.000 0.522 187 G N -0.466 108.402 108.800 0.114 0.000 2.425 187 G HA2 0.485 4.442 3.960 -0.005 0.000 0.302 187 G HA3 0.485 4.442 3.960 -0.005 0.000 0.302 187 G C -0.322 174.609 174.900 0.051 0.000 1.159 187 G CA -0.199 44.951 45.100 0.083 0.000 0.865 187 G HN 0.343 nan 8.290 nan 0.000 0.515 188 N N 1.722 120.445 118.700 0.038 0.000 2.469 188 N HA 0.257 4.994 4.740 -0.005 0.000 0.239 188 N C -1.264 174.259 175.510 0.021 0.000 1.053 188 N CA -2.406 50.658 53.050 0.023 0.000 0.937 188 N CB 1.870 40.365 38.487 0.014 0.000 1.163 188 N HN 0.103 nan 8.380 nan 0.000 0.509 189 P HA -0.074 nan 4.420 nan 0.000 0.228 189 P C 0.234 177.546 177.300 0.021 0.000 1.151 189 P CA 0.988 64.098 63.100 0.017 0.000 0.770 189 P CB 0.412 32.112 31.700 -0.000 0.000 0.786 190 K N -0.667 119.740 120.400 0.011 0.000 2.404 190 K HA 0.148 4.464 4.320 -0.005 0.000 0.194 190 K C 0.572 177.172 176.600 -0.001 0.000 1.023 190 K CA 0.134 56.423 56.287 0.004 0.000 1.094 190 K CB 0.252 32.751 32.500 -0.002 0.000 0.841 190 K HN -0.088 nan 8.250 nan 0.000 0.523 191 S N 1.019 116.721 115.700 0.004 0.000 2.389 191 S HA 0.300 4.767 4.470 -0.005 0.000 0.201 191 S C -1.279 173.327 174.600 0.011 0.000 1.422 191 S CA -0.610 57.582 58.200 -0.013 0.000 1.216 191 S CB 0.489 63.667 63.200 -0.037 0.000 1.130 191 S HN -0.120 nan 8.310 nan 0.000 0.465 192 V N 3.741 123.684 119.914 0.048 0.000 2.531 192 V HA 0.585 4.702 4.120 -0.005 0.000 0.301 192 V C -0.157 176.018 176.094 0.135 0.000 1.034 192 V CA -0.552 61.806 62.300 0.096 0.000 0.865 192 V CB 2.168 34.073 31.823 0.137 0.000 0.995 192 V HN 0.709 nan 8.190 nan 0.000 0.424 193 T N 6.088 120.711 114.554 0.115 0.000 2.792 193 T HA 0.625 4.972 4.350 -0.005 0.000 0.280 193 T C -0.313 174.499 174.700 0.187 0.000 0.990 193 T CA -0.371 61.819 62.100 0.150 0.000 0.960 193 T CB 1.056 69.970 68.868 0.077 0.000 0.939 193 T HN 0.355 nan 8.240 nan 0.000 0.439 194 L N 4.712 126.026 121.223 0.151 0.000 2.350 194 L HA 0.691 5.028 4.340 -0.005 0.000 0.275 194 L C -0.469 176.575 176.870 0.289 0.000 1.099 194 L CA -0.790 54.106 54.840 0.093 0.000 0.808 194 L CB 0.368 42.258 42.059 -0.281 0.000 1.149 194 L HN 0.632 nan 8.230 nan 0.000 0.442 195 F N 0.411 120.384 119.950 0.039 0.000 2.619 195 F HA 0.953 5.477 4.527 -0.005 0.000 0.308 195 F C -0.357 175.427 175.800 -0.028 0.000 1.097 195 F CA -1.551 56.510 58.000 0.101 0.000 0.953 195 F CB 1.530 40.695 39.000 0.274 0.000 1.287 195 F HN 0.471 nan 8.300 nan 0.000 0.446 196 G N 1.113 109.755 108.800 -0.263 0.000 2.601 196 G HA2 0.489 4.446 3.960 -0.005 0.000 0.291 196 G HA3 0.489 4.446 3.960 -0.005 0.000 0.291 196 G C -2.560 172.082 174.900 -0.431 0.000 1.456 196 G CA -0.793 43.775 45.100 -0.887 0.000 0.804 196 G HN 0.877 nan 8.290 nan 0.000 0.499 197 E N 0.417 120.328 120.200 -0.483 0.000 2.238 197 E HA 0.642 4.988 4.350 -0.005 0.000 0.267 197 E C 0.661 177.182 176.600 -0.132 0.000 0.887 197 E CA 0.230 56.571 56.400 -0.099 0.000 0.769 197 E CB 2.176 31.957 29.700 0.135 0.000 1.187 197 E HN 0.773 nan 8.360 nan 0.000 0.416 198 S N 2.380 118.068 115.700 -0.019 0.000 4.114 198 S HA -0.391 4.076 4.470 -0.005 0.000 0.618 198 S C 1.429 176.044 174.600 0.025 0.000 1.937 198 S CA 1.940 60.170 58.200 0.051 0.000 4.228 198 S CB -1.577 61.569 63.200 -0.090 0.000 0.216 198 S HN 0.908 nan 8.310 nan 0.000 0.528 199 A N 1.061 123.737 122.820 -0.239 0.000 1.972 199 A HA 0.165 4.482 4.320 -0.005 0.000 0.219 199 A C 2.493 179.823 177.584 -0.423 0.000 1.169 199 A CA 2.429 54.162 52.037 -0.507 0.000 0.635 199 A CB -1.581 16.685 19.000 -1.224 0.000 0.810 199 A HN 1.575 nan 8.150 nan 0.000 0.446 200 G N -0.313 108.278 108.800 -0.348 0.000 2.446 200 G HA2 -0.061 3.896 3.960 -0.005 0.000 0.217 200 G HA3 -0.061 3.896 3.960 -0.005 0.000 0.217 200 G C 1.743 176.469 174.900 -0.290 0.000 1.168 200 G CA 1.523 46.383 45.100 -0.400 0.000 0.771 200 G HN 0.807 nan 8.290 nan 0.000 0.551 201 A N 1.069 123.778 122.820 -0.185 0.000 1.898 201 A HA 0.321 4.637 4.320 -0.005 0.000 0.216 201 A C 2.823 180.356 177.584 -0.086 0.000 1.181 201 A CA 2.152 54.119 52.037 -0.117 0.000 0.620 201 A CB -0.768 18.200 19.000 -0.055 0.000 0.819 201 A HN 0.813 nan 8.150 nan 0.000 0.442 202 A N -0.340 122.485 122.820 0.008 0.000 1.933 202 A HA -0.083 4.234 4.320 -0.005 0.000 0.218 202 A C 2.439 180.091 177.584 0.113 0.000 1.175 202 A CA 2.118 54.195 52.037 0.067 0.000 0.628 202 A CB -0.851 18.272 19.000 0.206 0.000 0.814 202 A HN 0.461 nan 8.150 nan 0.000 0.444 203 S N -0.326 115.422 115.700 0.080 0.000 2.348 203 S HA -0.148 4.319 4.470 -0.005 0.000 0.221 203 S C 1.916 176.548 174.600 0.053 0.000 1.033 203 S CA 1.474 59.702 58.200 0.047 0.000 1.010 203 S CB -0.656 62.504 63.200 -0.067 0.000 0.891 203 S HN 0.351 nan 8.310 nan 0.000 0.442 204 V N 2.762 122.676 119.914 0.001 0.000 2.282 204 V HA -0.227 3.889 4.120 -0.005 0.000 0.249 204 V C 2.762 178.891 176.094 0.058 0.000 1.057 204 V CA 2.083 64.382 62.300 -0.002 0.000 1.032 204 V CB -1.291 30.471 31.823 -0.102 0.000 0.645 204 V HN 0.725 nan 8.190 nan 0.000 0.447 205 S N -0.008 115.706 115.700 0.022 0.000 2.400 205 S HA -0.171 4.295 4.470 -0.005 0.000 0.232 205 S C 1.917 176.697 174.600 0.300 0.000 1.025 205 S CA 1.700 59.968 58.200 0.114 0.000 0.993 205 S CB -0.652 62.470 63.200 -0.130 0.000 0.808 205 S HN 0.534 nan 8.310 nan 0.000 0.478 206 L N 0.531 121.873 121.223 0.199 0.000 2.240 206 L HA 0.016 4.352 4.340 -0.005 0.000 0.211 206 L C 2.806 179.733 176.870 0.095 0.000 1.106 206 L CA 1.022 55.939 54.840 0.129 0.000 0.793 206 L CB -0.615 41.521 42.059 0.128 0.000 0.927 206 L HN 0.380 nan 8.230 nan 0.000 0.446 207 H N 0.047 119.247 119.070 0.217 0.000 2.456 207 H HA -0.081 4.471 4.556 -0.006 0.000 0.296 207 H C 2.249 177.826 175.328 0.415 0.000 1.079 207 H CA 1.183 57.352 56.048 0.203 0.000 1.322 207 H CB 0.064 29.832 29.762 0.009 0.000 1.388 207 H HN 0.353 nan 8.280 nan 0.000 0.538 208 L N 0.275 121.828 121.223 0.550 0.000 2.291 208 L HA -0.102 4.234 4.340 -0.005 0.000 0.214 208 L C 2.063 179.253 176.870 0.533 0.000 1.120 208 L CA 0.520 55.737 54.840 0.629 0.000 0.799 208 L CB -0.085 42.330 42.059 0.594 0.000 0.925 208 L HN 0.184 nan 8.230 nan 0.000 0.446 209 L N -2.038 119.368 121.223 0.306 0.000 2.513 209 L HA 0.093 4.430 4.340 -0.005 0.000 0.222 209 L C 1.188 178.035 176.870 -0.037 0.000 1.096 209 L CA -0.049 54.892 54.840 0.168 0.000 0.857 209 L CB 0.126 42.158 42.059 -0.045 0.000 1.026 209 L HN -0.009 nan 8.230 nan 0.000 0.469 210 S N 1.119 116.689 115.700 -0.217 0.000 2.465 210 S HA 0.194 4.660 4.470 -0.005 0.000 0.279 210 S C -1.236 172.958 174.600 -0.678 0.000 1.201 210 S CA -1.490 56.356 58.200 -0.591 0.000 1.053 210 S CB 0.998 63.497 63.200 -1.167 0.000 0.953 210 S HN -0.004 nan 8.310 nan 0.000 0.488 211 P HA -0.016 nan 4.420 nan 0.000 0.218 211 P C 1.375 178.422 177.300 -0.421 0.000 1.149 211 P CA 0.968 63.636 63.100 -0.719 0.000 0.817 211 P CB -0.189 31.299 31.700 -0.353 0.000 0.785 212 G N -0.491 108.151 108.800 -0.263 0.000 2.625 212 G HA2 -0.109 3.848 3.960 -0.005 0.000 0.214 212 G HA3 -0.109 3.848 3.960 -0.005 0.000 0.214 212 G C 1.379 176.285 174.900 0.011 0.000 1.132 212 G CA 0.392 45.446 45.100 -0.075 0.000 0.782 212 G HN 0.271 nan 8.290 nan 0.000 0.538 213 S N -0.533 115.164 115.700 -0.004 0.000 2.512 213 S HA 0.121 4.588 4.470 -0.005 0.000 0.216 213 S C 1.772 176.558 174.600 0.309 0.000 1.006 213 S CA -0.394 57.957 58.200 0.252 0.000 0.915 213 S CB -0.055 63.423 63.200 0.463 0.000 0.824 213 S HN 0.396 nan 8.310 nan 0.000 0.497 214 H N 2.373 121.470 119.070 0.046 0.000 2.394 214 H HA -0.057 4.496 4.556 -0.005 0.000 0.297 214 H C 2.282 177.515 175.328 -0.159 0.000 1.113 214 H CA 1.508 57.500 56.048 -0.093 0.000 1.277 214 H CB -0.490 29.228 29.762 -0.073 0.000 1.370 214 H HN 0.505 nan 8.280 nan 0.000 0.506 215 S N -0.218 115.524 115.700 0.070 0.000 2.597 215 S HA 0.145 4.611 4.470 -0.005 0.000 0.224 215 S C 1.297 175.923 174.600 0.043 0.000 0.955 215 S CA -0.285 57.925 58.200 0.017 0.000 0.933 215 S CB -0.251 62.965 63.200 0.027 0.000 0.788 215 S HN 0.278 nan 8.310 nan 0.000 0.488 216 L N 1.017 122.311 121.223 0.119 0.000 2.640 216 L HA 0.499 4.836 4.340 -0.005 0.000 0.230 216 L C -0.112 176.945 176.870 0.311 0.000 1.123 216 L CA -0.304 54.654 54.840 0.197 0.000 0.900 216 L CB -0.176 42.018 42.059 0.226 0.000 1.146 216 L HN 0.576 nan 8.230 nan 0.000 0.484 217 F N -4.763 115.215 119.950 0.046 0.000 2.807 217 F HA 0.440 4.963 4.527 -0.005 0.000 0.316 217 F C 0.256 176.081 175.800 0.042 0.000 1.162 217 F CA -0.875 57.149 58.000 0.041 0.000 0.910 217 F CB 0.692 39.719 39.000 0.044 0.000 1.314 217 F HN -0.336 nan 8.300 nan 0.000 0.454 218 T N -0.503 114.137 114.554 0.142 0.000 3.044 218 T HA 0.399 4.746 4.350 -0.005 0.000 0.237 218 T C 0.438 175.172 174.700 0.057 0.000 1.001 218 T CA 0.386 62.486 62.100 -0.000 0.000 1.160 218 T CB 0.095 68.961 68.868 -0.003 0.000 0.889 218 T HN 0.512 nan 8.240 nan 0.000 0.442 219 R N -0.290 120.348 120.500 0.230 0.000 2.817 219 R HA 0.783 5.120 4.340 -0.005 0.000 0.268 219 R C -1.827 174.729 176.300 0.427 0.000 1.027 219 R CA -0.780 55.465 56.100 0.241 0.000 0.928 219 R CB 2.129 32.384 30.300 -0.075 0.000 1.228 219 R HN 0.284 nan 8.270 nan 0.000 0.469 220 A N 1.512 124.593 122.820 0.435 0.000 2.455 220 A HA 0.662 4.979 4.320 -0.005 0.000 0.300 220 A C -1.137 176.555 177.584 0.179 0.000 1.040 220 A CA -0.606 51.606 52.037 0.292 0.000 0.697 220 A CB 1.127 20.264 19.000 0.228 0.000 1.265 220 A HN 0.568 nan 8.150 nan 0.000 0.407 221 I N 2.339 122.965 120.570 0.093 0.000 2.382 221 I HA 0.307 4.474 4.170 -0.005 0.000 0.286 221 I C -1.307 174.822 176.117 0.020 0.000 1.002 221 I CA -0.585 60.682 61.300 -0.056 0.000 1.135 221 I CB 1.698 39.663 38.000 -0.058 0.000 1.288 221 I HN 0.397 nan 8.210 nan 0.000 0.448 222 L N 7.028 128.214 121.223 -0.060 0.000 2.283 222 L HA 0.362 4.699 4.340 -0.005 0.000 0.281 222 L C -0.140 176.732 176.870 0.004 0.000 1.033 222 L CA -0.193 54.605 54.840 -0.070 0.000 0.848 222 L CB 0.948 42.879 42.059 -0.214 0.000 1.226 222 L HN 0.504 nan 8.230 nan 0.000 0.429 223 Q N 1.880 121.751 119.800 0.118 0.000 2.349 223 Q HA 0.375 4.711 4.340 -0.005 0.000 0.254 223 Q C 0.262 176.318 176.000 0.093 0.000 0.980 223 Q CA -0.407 55.510 55.803 0.190 0.000 0.924 223 Q CB 0.815 29.751 28.738 0.330 0.000 1.209 223 Q HN 0.589 nan 8.270 nan 0.000 0.445 224 S N 1.419 117.159 115.700 0.067 0.000 3.524 224 S HA -0.141 4.325 4.470 -0.005 0.000 0.377 224 S C 0.006 174.770 174.600 0.273 0.000 0.949 224 S CA 0.491 58.763 58.200 0.121 0.000 1.264 224 S CB -1.188 62.025 63.200 0.021 0.000 0.918 224 S HN 1.004 nan 8.310 nan 0.000 0.517 225 G N -0.343 108.585 108.800 0.214 0.000 2.473 225 G HA2 0.604 4.561 3.960 -0.005 0.000 0.298 225 G HA3 0.604 4.561 3.960 -0.005 0.000 0.298 225 G C -0.988 173.881 174.900 -0.051 0.000 1.575 225 G CA 0.149 45.419 45.100 0.283 0.000 0.846 225 G HN 1.362 nan 8.290 nan 0.000 0.585 226 S N -0.327 115.243 115.700 -0.218 0.000 2.565 226 S HA 0.535 5.002 4.470 -0.005 0.000 0.274 226 S C 0.529 174.826 174.600 -0.505 0.000 1.144 226 S CA -0.227 57.679 58.200 -0.490 0.000 0.849 226 S CB 0.826 63.591 63.200 -0.725 0.000 1.103 226 S HN 1.913 nan 8.310 nan 0.000 0.455 227 F N 1.511 121.277 119.950 -0.307 0.000 2.451 227 F HA 0.067 4.590 4.527 -0.006 0.000 0.299 227 F C 1.531 177.195 175.800 -0.227 0.000 1.101 227 F CA 1.060 58.934 58.000 -0.210 0.000 1.436 227 F CB -0.498 38.456 39.000 -0.076 0.000 1.074 227 F HN 0.616 nan 8.300 nan 0.000 0.553 228 N N 1.466 119.778 118.700 -0.647 0.000 2.449 228 N HA 0.136 4.873 4.740 -0.005 0.000 0.191 228 N C 0.398 175.672 175.510 -0.393 0.000 1.161 228 N CA 0.492 53.347 53.050 -0.324 0.000 0.863 228 N CB -0.585 37.711 38.487 -0.319 0.000 0.980 228 N HN 0.383 nan 8.380 nan 0.000 0.458 229 A N 1.641 124.074 122.820 -0.645 0.000 2.386 229 A HA 0.352 4.669 4.320 -0.005 0.000 0.248 229 A C -1.169 175.866 177.584 -0.915 0.000 1.082 229 A CA -1.033 50.439 52.037 -0.943 0.000 0.789 229 A CB 0.385 18.459 19.000 -1.544 0.000 1.025 229 A HN 0.046 nan 8.150 nan 0.000 0.490 230 P HA -0.087 nan 4.420 nan 0.000 0.223 230 P C 1.031 178.132 177.300 -0.332 0.000 1.151 230 P CA 1.153 63.961 63.100 -0.486 0.000 0.787 230 P CB -0.018 31.350 31.700 -0.553 0.000 0.788 231 W N -1.703 119.448 121.300 -0.248 0.000 3.290 231 W HA 0.548 5.206 4.660 -0.005 0.000 0.287 231 W C 1.059 177.546 176.519 -0.053 0.000 1.288 231 W CA 0.323 57.576 57.345 -0.155 0.000 1.725 231 W CB -1.118 28.217 29.460 -0.209 0.000 1.103 231 W HN -0.116 nan 8.180 nan 0.000 0.670 232 A N 1.310 123.950 122.820 -0.300 0.000 1.943 232 A HA 0.245 4.562 4.320 -0.005 0.000 0.213 232 A C 0.857 178.411 177.584 -0.050 0.000 1.181 232 A CA 0.855 52.836 52.037 -0.092 0.000 0.653 232 A CB -0.469 18.299 19.000 -0.386 0.000 0.833 232 A HN -0.003 nan 8.150 nan 0.000 0.451 233 V N 1.129 120.999 119.914 -0.074 0.000 2.495 233 V HA 0.353 4.469 4.120 -0.005 0.000 0.298 233 V C -0.379 175.688 176.094 -0.046 0.000 1.031 233 V CA -0.623 61.635 62.300 -0.071 0.000 0.871 233 V CB 1.642 33.446 31.823 -0.033 0.000 0.988 233 V HN 0.294 nan 8.190 nan 0.000 0.432 234 T N 3.227 117.746 114.554 -0.057 0.000 2.817 234 T HA 0.279 4.626 4.350 -0.005 0.000 0.293 234 T C 0.456 175.161 174.700 0.009 0.000 0.964 234 T CA -0.222 61.864 62.100 -0.024 0.000 1.085 234 T CB 1.002 69.847 68.868 -0.038 0.000 0.921 234 T HN 0.898 nan 8.240 nan 0.000 0.502 235 S N 3.272 118.994 115.700 0.036 0.000 2.562 235 S HA 0.115 4.582 4.470 -0.005 0.000 0.281 235 S C 1.424 176.071 174.600 0.079 0.000 1.333 235 S CA -0.814 57.427 58.200 0.068 0.000 1.052 235 S CB 0.324 63.589 63.200 0.108 0.000 0.884 235 S HN 0.579 nan 8.310 nan 0.000 0.506 236 L N 2.745 124.019 121.223 0.085 0.000 2.089 236 L HA -0.114 4.223 4.340 -0.005 0.000 0.213 236 L C 2.117 179.060 176.870 0.122 0.000 1.079 236 L CA 2.043 56.936 54.840 0.088 0.000 0.758 236 L CB -1.014 41.096 42.059 0.084 0.000 0.891 236 L HN 0.934 nan 8.230 nan 0.000 0.433 237 Y N 0.544 120.849 120.300 0.008 0.000 2.089 237 Y HA -0.268 4.279 4.550 -0.005 0.000 0.282 237 Y C 2.475 178.375 175.900 -0.000 0.000 1.139 237 Y CA 2.264 60.367 58.100 0.005 0.000 1.123 237 Y CB -0.351 38.112 38.460 0.006 0.000 0.980 237 Y HN 0.312 nan 8.280 nan 0.000 0.493 238 E N -0.479 119.679 120.200 -0.070 0.000 2.274 238 E HA -0.065 4.282 4.350 -0.005 0.000 0.194 238 E C 2.207 178.731 176.600 -0.127 0.000 0.996 238 E CA 0.618 56.910 56.400 -0.180 0.000 0.840 238 E CB -0.197 29.456 29.700 -0.079 0.000 0.772 238 E HN 0.542 nan 8.360 nan 0.000 0.491 239 A N 1.245 124.036 122.820 -0.048 0.000 1.969 239 A HA -0.133 4.184 4.320 -0.005 0.000 0.218 239 A C 2.016 179.599 177.584 -0.001 0.000 1.169 239 A CA 0.841 52.874 52.037 -0.007 0.000 0.635 239 A CB -0.128 18.900 19.000 0.047 0.000 0.810 239 A HN 0.025 nan 8.150 nan 0.000 0.445 240 R N -0.396 120.086 120.500 -0.030 0.000 2.062 240 R HA -0.119 4.218 4.340 -0.005 0.000 0.231 240 R C 1.913 178.167 176.300 -0.075 0.000 1.136 240 R CA 1.596 57.675 56.100 -0.036 0.000 0.948 240 R CB -0.799 29.484 30.300 -0.028 0.000 0.845 240 R HN 0.578 nan 8.270 nan 0.000 0.430 241 N N 0.687 119.288 118.700 -0.166 0.000 2.258 241 N HA -0.148 4.589 4.740 -0.005 0.000 0.187 241 N C 1.649 177.096 175.510 -0.106 0.000 1.012 241 N CA 1.301 54.244 53.050 -0.178 0.000 0.870 241 N CB 0.084 38.399 38.487 -0.287 0.000 0.977 241 N HN 0.186 nan 8.380 nan 0.000 0.434 242 R N -1.583 118.867 120.500 -0.083 0.000 2.105 242 R HA 0.133 4.470 4.340 -0.005 0.000 0.214 242 R C 1.914 178.287 176.300 0.120 0.000 1.091 242 R CA 1.217 57.289 56.100 -0.047 0.000 1.007 242 R CB -0.427 29.748 30.300 -0.208 0.000 0.912 242 R HN 0.137 nan 8.270 nan 0.000 0.450 243 T N 2.151 116.793 114.554 0.146 0.000 2.699 243 T HA -0.130 4.217 4.350 -0.005 0.000 0.268 243 T C 1.849 176.577 174.700 0.047 0.000 1.036 243 T CA 1.249 63.416 62.100 0.112 0.000 1.147 243 T CB -0.149 68.743 68.868 0.039 0.000 0.862 243 T HN 0.113 nan 8.240 nan 0.000 0.446 244 L N 0.733 121.965 121.223 0.015 0.000 2.109 244 L HA -0.042 4.295 4.340 -0.005 0.000 0.207 244 L C 2.573 179.447 176.870 0.007 0.000 1.086 244 L CA 0.844 55.683 54.840 -0.001 0.000 0.760 244 L CB -0.612 41.435 42.059 -0.020 0.000 0.910 244 L HN 0.184 nan 8.230 nan 0.000 0.437 245 N N 0.421 119.126 118.700 0.008 0.000 2.149 245 N HA -0.192 4.545 4.740 -0.005 0.000 0.188 245 N C 1.785 177.330 175.510 0.058 0.000 1.019 245 N CA 1.135 54.195 53.050 0.016 0.000 0.857 245 N CB -0.332 38.153 38.487 -0.004 0.000 0.997 245 N HN 0.139 nan 8.380 nan 0.000 0.426 246 L N 0.987 122.275 121.223 0.108 0.000 2.046 246 L HA -0.034 4.303 4.340 -0.005 0.000 0.208 246 L C 2.096 179.010 176.870 0.072 0.000 1.077 246 L CA 1.462 56.382 54.840 0.132 0.000 0.747 246 L CB -0.864 41.313 42.059 0.197 0.000 0.896 246 L HN 0.129 nan 8.230 nan 0.000 0.432 247 A N -0.743 122.101 122.820 0.041 0.000 1.877 247 A HA -0.279 4.038 4.320 -0.005 0.000 0.216 247 A C 2.443 180.039 177.584 0.020 0.000 1.186 247 A CA 2.018 54.068 52.037 0.021 0.000 0.620 247 A CB -0.626 18.376 19.000 0.003 0.000 0.822 247 A HN 0.465 nan 8.150 nan 0.000 0.443 248 K N -0.432 119.976 120.400 0.014 0.000 2.032 248 K HA -0.118 4.199 4.320 -0.005 0.000 0.209 248 K C 1.917 178.520 176.600 0.005 0.000 1.048 248 K CA 1.634 57.923 56.287 0.004 0.000 0.927 248 K CB -0.325 32.171 32.500 -0.007 0.000 0.712 248 K HN 0.463 nan 8.250 nan 0.000 0.441 249 L N 0.503 121.736 121.223 0.017 0.000 2.093 249 L HA -0.135 4.201 4.340 -0.005 0.000 0.208 249 L C 2.328 179.216 176.870 0.030 0.000 1.085 249 L CA 1.728 56.578 54.840 0.015 0.000 0.755 249 L CB -0.473 41.612 42.059 0.044 0.000 0.904 249 L HN 0.427 nan 8.230 nan 0.000 0.435 250 T N -3.497 111.084 114.554 0.045 0.000 3.148 250 T HA 0.174 4.521 4.350 -0.005 0.000 0.253 250 T C 1.341 176.060 174.700 0.031 0.000 1.134 250 T CA 0.355 62.483 62.100 0.046 0.000 1.051 250 T CB 0.097 69.000 68.868 0.059 0.000 0.959 250 T HN 0.463 nan 8.240 nan 0.000 0.525 251 G N -0.005 108.807 108.800 0.020 0.000 2.176 251 G HA2 -0.264 3.693 3.960 -0.005 0.000 0.252 251 G HA3 -0.264 3.693 3.960 -0.005 0.000 0.252 251 G C 0.618 175.527 174.900 0.016 0.000 1.024 251 G CA -0.040 45.068 45.100 0.013 0.000 0.755 251 G HN 0.597 nan 8.290 nan 0.000 0.507 252 c N 0.742 119.353 118.600 0.018 0.000 2.855 252 c HA 0.469 5.036 4.570 -0.005 0.000 0.279 252 c C 1.813 175.909 174.090 0.010 0.000 1.270 252 c CA 0.345 56.685 56.329 0.018 0.000 1.702 252 c CB -0.824 41.700 42.510 0.024 0.000 1.949 252 c HN 0.633 nan 8.230 nan 0.000 0.618 253 S N 2.065 117.768 115.700 0.006 0.000 2.589 253 S HA 0.134 4.601 4.470 -0.005 0.000 0.306 253 S C 0.583 175.184 174.600 0.002 0.000 1.221 253 S CA 0.596 58.797 58.200 0.002 0.000 1.159 253 S CB -0.067 63.132 63.200 -0.001 0.000 0.990 253 S HN 0.453 nan 8.310 nan 0.000 0.514 254 R N 2.035 122.535 120.500 0.000 0.000 2.917 254 R HA 0.490 4.827 4.340 -0.005 0.000 0.220 254 R C 1.459 177.759 176.300 -0.000 0.000 1.485 254 R CA -0.762 55.339 56.100 0.001 0.000 1.037 254 R CB 0.167 30.468 30.300 0.002 0.000 1.929 254 R HN 0.610 nan 8.270 nan 0.000 0.526 255 E N -0.571 119.629 120.200 0.001 0.000 2.629 255 E HA 0.082 4.429 4.350 -0.005 0.000 0.197 255 E C -0.080 176.520 176.600 0.001 0.000 0.955 255 E CA -0.338 56.062 56.400 0.001 0.000 1.191 255 E CB -0.383 29.318 29.700 0.002 0.000 1.175 255 E HN 0.295 nan 8.360 nan 0.000 0.501 256 N N 2.432 121.133 118.700 0.001 0.000 2.452 256 N HA -0.047 4.689 4.740 -0.005 0.000 0.266 256 N C 0.615 176.124 175.510 -0.001 0.000 1.175 256 N CA 0.330 53.381 53.050 0.001 0.000 0.945 256 N CB 1.268 39.756 38.487 0.003 0.000 1.063 256 N HN 0.162 nan 8.380 nan 0.000 0.472 257 E N 1.792 121.991 120.200 -0.002 0.000 2.171 257 E HA -0.161 4.186 4.350 -0.005 0.000 0.197 257 E C 0.668 177.262 176.600 -0.010 0.000 0.997 257 E CA 1.526 57.921 56.400 -0.008 0.000 0.810 257 E CB 0.219 29.914 29.700 -0.007 0.000 0.738 257 E HN 0.689 nan 8.360 nan 0.000 0.467 258 T N 0.986 115.538 114.554 -0.003 0.000 3.035 258 T HA -0.064 4.282 4.350 -0.005 0.000 0.268 258 T C 1.297 176.000 174.700 0.005 0.000 1.109 258 T CA 0.602 62.702 62.100 0.001 0.000 1.119 258 T CB 0.018 68.889 68.868 0.005 0.000 0.900 258 T HN 0.178 nan 8.240 nan 0.000 0.503 259 E N 1.040 121.243 120.200 0.004 0.000 2.216 259 E HA 0.058 4.405 4.350 -0.005 0.000 0.192 259 E C 2.129 178.734 176.600 0.007 0.000 0.988 259 E CA 0.558 56.963 56.400 0.008 0.000 0.834 259 E CB -0.137 29.567 29.700 0.007 0.000 0.772 259 E HN 0.532 nan 8.360 nan 0.000 0.479 260 I N 1.253 121.821 120.570 -0.003 0.000 2.252 260 I HA -0.225 3.941 4.170 -0.005 0.000 0.245 260 I C 2.275 178.386 176.117 -0.011 0.000 1.102 260 I CA 0.740 62.035 61.300 -0.009 0.000 1.385 260 I CB -0.247 37.738 38.000 -0.026 0.000 1.064 260 I HN 0.048 nan 8.210 nan 0.000 0.414 261 I N 0.715 121.273 120.570 -0.020 0.000 2.286 261 I HA -0.229 3.938 4.170 -0.005 0.000 0.248 261 I C 2.483 178.647 176.117 0.078 0.000 1.115 261 I CA 1.415 62.709 61.300 -0.010 0.000 1.392 261 I CB -1.228 36.758 38.000 -0.024 0.000 1.065 261 I HN 0.255 nan 8.210 nan 0.000 0.418 262 K N 0.442 120.875 120.400 0.054 0.000 2.057 262 K HA -0.170 4.146 4.320 -0.005 0.000 0.206 262 K C 2.376 179.013 176.600 0.060 0.000 1.050 262 K CA 1.123 57.445 56.287 0.059 0.000 0.935 262 K CB -0.547 31.974 32.500 0.036 0.000 0.715 262 K HN 0.375 nan 8.250 nan 0.000 0.439 263 c N 1.204 119.833 118.600 0.049 0.000 2.413 263 c HA -0.101 4.466 4.570 -0.005 0.000 0.277 263 c C 2.696 176.829 174.090 0.072 0.000 1.228 263 c CA 0.760 57.117 56.329 0.047 0.000 1.731 263 c CB -1.069 41.461 42.510 0.033 0.000 2.042 263 c HN 0.467 nan 8.230 nan 0.000 0.468 264 L N 0.319 121.602 121.223 0.101 0.000 2.187 264 L HA -0.141 4.195 4.340 -0.005 0.000 0.213 264 L C 2.885 179.889 176.870 0.224 0.000 1.100 264 L CA 1.452 56.399 54.840 0.178 0.000 0.765 264 L CB -0.642 41.538 42.059 0.202 0.000 0.904 264 L HN 0.415 nan 8.230 nan 0.000 0.437 265 R N -0.303 120.304 120.500 0.179 0.000 2.276 265 R HA -0.037 4.299 4.340 -0.005 0.000 0.203 265 R C 1.454 177.770 176.300 0.027 0.000 1.017 265 R CA 0.536 56.683 56.100 0.078 0.000 1.010 265 R CB -0.156 30.183 30.300 0.066 0.000 0.900 265 R HN 0.468 nan 8.270 nan 0.000 0.469 266 N N 0.470 119.194 118.700 0.041 0.000 2.395 266 N HA -0.031 4.706 4.740 -0.005 0.000 0.175 266 N C 0.003 175.526 175.510 0.021 0.000 1.029 266 N CA 0.638 53.702 53.050 0.023 0.000 0.897 266 N CB 0.176 38.677 38.487 0.024 0.000 0.991 266 N HN -0.101 nan 8.380 nan 0.000 0.441 267 K N 2.617 123.039 120.400 0.036 0.000 2.451 267 K HA 0.007 4.324 4.320 -0.005 0.000 0.280 267 K C -0.073 176.539 176.600 0.019 0.000 1.020 267 K CA -0.055 56.253 56.287 0.036 0.000 1.008 267 K CB -0.004 32.531 32.500 0.058 0.000 0.917 267 K HN 0.329 nan 8.250 nan 0.000 0.478 268 D N 2.290 122.699 120.400 0.015 0.000 2.362 268 D HA 0.075 4.712 4.640 -0.005 0.000 0.242 268 D C -1.804 174.501 176.300 0.007 0.000 1.132 268 D CA -1.478 52.524 54.000 0.004 0.000 0.907 268 D CB 0.471 41.274 40.800 0.005 0.000 1.195 268 D HN 0.116 nan 8.370 nan 0.000 0.429 269 P HA -0.171 nan 4.420 nan 0.000 0.221 269 P C 1.290 178.599 177.300 0.016 0.000 1.145 269 P CA 0.952 64.050 63.100 -0.004 0.000 0.795 269 P CB 0.120 31.808 31.700 -0.019 0.000 0.775 270 Q N 0.245 120.056 119.800 0.019 0.000 2.084 270 Q HA -0.168 4.168 4.340 -0.005 0.000 0.202 270 Q C 1.992 178.018 176.000 0.043 0.000 0.978 270 Q CA 1.504 57.324 55.803 0.028 0.000 0.844 270 Q CB -0.653 28.099 28.738 0.024 0.000 0.898 270 Q HN 0.471 nan 8.270 nan 0.000 0.426 271 E N -0.212 120.015 120.200 0.045 0.000 2.160 271 E HA -0.151 4.196 4.350 -0.005 0.000 0.195 271 E C 2.004 178.651 176.600 0.079 0.000 0.991 271 E CA 0.777 57.214 56.400 0.061 0.000 0.810 271 E CB -0.089 29.643 29.700 0.054 0.000 0.742 271 E HN 0.357 nan 8.360 nan 0.000 0.466 272 I N 0.615 121.228 120.570 0.072 0.000 2.584 272 I HA -0.185 3.982 4.170 -0.005 0.000 0.255 272 I C 2.152 178.322 176.117 0.089 0.000 1.145 272 I CA 0.541 61.893 61.300 0.086 0.000 1.462 272 I CB 0.075 38.124 38.000 0.082 0.000 1.102 272 I HN 0.055 nan 8.210 nan 0.000 0.433 273 L N -0.483 120.781 121.223 0.068 0.000 2.109 273 L HA -0.180 4.157 4.340 -0.005 0.000 0.207 273 L C 2.338 179.241 176.870 0.056 0.000 1.086 273 L CA 0.703 55.580 54.840 0.061 0.000 0.760 273 L CB -0.409 41.674 42.059 0.041 0.000 0.910 273 L HN 0.201 nan 8.230 nan 0.000 0.437 274 L N -0.047 121.217 121.223 0.068 0.000 2.131 274 L HA -0.178 4.158 4.340 -0.005 0.000 0.210 274 L C 1.891 178.846 176.870 0.141 0.000 1.092 274 L CA 1.872 56.759 54.840 0.078 0.000 0.759 274 L CB -0.800 41.319 42.059 0.102 0.000 0.903 274 L HN 0.315 nan 8.230 nan 0.000 0.435 275 N N -1.676 117.145 118.700 0.201 0.000 2.432 275 N HA -0.059 4.677 4.740 -0.005 0.000 0.174 275 N C 1.470 177.152 175.510 0.287 0.000 1.037 275 N CA 0.228 53.490 53.050 0.354 0.000 0.892 275 N CB 0.058 38.712 38.487 0.277 0.000 1.049 275 N HN 0.236 nan 8.380 nan 0.000 0.442 276 E N 1.153 121.483 120.200 0.217 0.000 2.245 276 E HA -0.356 3.990 4.350 -0.005 0.000 0.217 276 E C 1.929 178.600 176.600 0.117 0.000 1.069 276 E CA 1.486 58.052 56.400 0.277 0.000 0.877 276 E CB -0.195 29.656 29.700 0.251 0.000 0.757 276 E HN 0.453 nan 8.360 nan 0.000 0.464 277 A N 0.780 123.536 122.820 -0.108 0.000 1.917 277 A HA -0.184 4.133 4.320 -0.005 0.000 0.219 277 A C 1.428 178.842 177.584 -0.283 0.000 1.182 277 A CA 1.644 53.471 52.037 -0.350 0.000 0.633 277 A CB -0.654 17.912 19.000 -0.723 0.000 0.819 277 A HN 0.413 nan 8.150 nan 0.000 0.448 278 F N -1.028 118.932 119.950 0.017 0.000 2.739 278 F HA 0.445 4.968 4.527 -0.005 0.000 0.345 278 F C 0.906 176.694 175.800 -0.019 0.000 1.373 278 F CA -0.444 57.551 58.000 -0.007 0.000 1.160 278 F CB 0.037 39.036 39.000 -0.003 0.000 1.137 278 F HN -0.009 nan 8.300 nan 0.000 0.524 279 V N -2.143 117.875 119.914 0.173 0.000 3.406 279 V HA 0.164 4.281 4.120 -0.005 0.000 0.263 279 V C 0.462 176.532 176.094 -0.039 0.000 1.172 279 V CA 0.070 62.405 62.300 0.058 0.000 1.140 279 V CB -0.141 31.702 31.823 0.033 0.000 0.784 279 V HN 0.196 nan 8.190 nan 0.000 0.467 280 V N 2.974 122.863 119.914 -0.041 0.000 2.509 280 V HA 0.356 4.473 4.120 -0.005 0.000 0.284 280 V C -0.610 175.452 176.094 -0.053 0.000 1.047 280 V CA -0.773 61.481 62.300 -0.076 0.000 0.952 280 V CB 1.230 33.016 31.823 -0.062 0.000 0.988 280 V HN 0.326 nan 8.190 nan 0.000 0.469 281 P HA 0.021 nan 4.420 nan 0.000 0.227 281 P C -0.199 177.050 177.300 -0.085 0.000 1.161 281 P CA 0.832 63.832 63.100 -0.166 0.000 0.788 281 P CB 0.106 31.622 31.700 -0.308 0.000 0.822 282 Y N -1.654 118.651 120.300 0.007 0.000 2.445 282 Y HA 0.765 5.312 4.550 -0.005 0.000 0.332 282 Y C 0.119 176.004 175.900 -0.026 0.000 1.037 282 Y CA -1.782 56.318 58.100 -0.001 0.000 1.296 282 Y CB 0.758 39.223 38.460 0.008 0.000 1.099 282 Y HN -0.194 nan 8.280 nan 0.000 0.496 283 G N 1.604 110.482 108.800 0.129 0.000 2.448 283 G HA2 0.505 4.462 3.960 -0.005 0.000 0.285 283 G HA3 0.505 4.462 3.960 -0.005 0.000 0.285 283 G C -0.344 174.531 174.900 -0.043 0.000 1.176 283 G CA -0.365 44.755 45.100 0.032 0.000 0.852 283 G HN 0.733 nan 8.290 nan 0.000 0.530 284 T N -1.111 113.383 114.554 -0.100 0.000 2.940 284 T HA 0.555 4.902 4.350 -0.005 0.000 0.288 284 T C -1.915 172.667 174.700 -0.198 0.000 1.045 284 T CA -1.712 60.254 62.100 -0.223 0.000 1.018 284 T CB 2.329 71.026 68.868 -0.284 0.000 1.151 284 T HN 0.120 nan 8.240 nan 0.000 0.529 285 P HA 0.075 nan 4.420 nan 0.000 0.223 285 P C 0.980 178.280 177.300 -0.000 0.000 1.144 285 P CA 0.674 63.737 63.100 -0.062 0.000 0.783 285 P CB -0.031 31.721 31.700 0.087 0.000 0.771 286 L N -2.008 119.165 121.223 -0.083 0.000 2.607 286 L HA 0.127 4.464 4.340 -0.005 0.000 0.228 286 L C 0.841 177.639 176.870 -0.120 0.000 1.123 286 L CA 0.081 54.824 54.840 -0.163 0.000 0.890 286 L CB -0.222 41.665 42.059 -0.286 0.000 1.103 286 L HN -0.215 nan 8.230 nan 0.000 0.468 287 S N -0.194 115.438 115.700 -0.112 0.000 2.552 287 S HA 0.105 4.572 4.470 -0.005 0.000 0.289 287 S C 0.073 174.637 174.600 -0.060 0.000 1.304 287 S CA -0.108 58.046 58.200 -0.077 0.000 1.063 287 S CB 0.655 63.802 63.200 -0.088 0.000 0.848 287 S HN -0.050 nan 8.310 nan 0.000 0.499 288 V N 6.083 125.998 119.914 0.001 0.000 2.266 288 V HA 0.179 4.296 4.120 -0.005 0.000 0.271 288 V C 0.786 176.852 176.094 -0.047 0.000 1.032 288 V CA -0.627 61.699 62.300 0.043 0.000 0.806 288 V CB 0.593 32.516 31.823 0.167 0.000 1.052 288 V HN 0.864 nan 8.190 nan 0.000 0.449 289 N N 3.086 121.731 118.700 -0.091 0.000 2.069 289 N HA -0.059 4.677 4.740 -0.005 0.000 0.191 289 N C -0.294 174.869 175.510 -0.579 0.000 1.031 289 N CA 1.506 54.376 53.050 -0.299 0.000 0.852 289 N CB 0.040 38.401 38.487 -0.209 0.000 1.018 289 N HN 0.517 nan 8.380 nan 0.000 0.423 290 F N -0.364 119.602 119.950 0.026 0.000 2.577 290 F HA 0.543 5.066 4.527 -0.005 0.000 0.344 290 F C 0.541 176.277 175.800 -0.106 0.000 1.145 290 F CA -0.833 57.189 58.000 0.037 0.000 0.996 290 F CB 1.776 40.860 39.000 0.139 0.000 1.248 290 F HN -0.127 nan 8.300 nan 0.000 0.447 291 G N 2.313 111.060 108.800 -0.089 0.000 3.022 291 G HA2 0.684 4.641 3.960 -0.005 0.000 0.284 291 G HA3 0.684 4.641 3.960 -0.005 0.000 0.284 291 G C -3.207 171.442 174.900 -0.417 0.000 1.375 291 G CA -2.119 42.594 45.100 -0.644 0.000 0.902 291 G HN 0.126 nan 8.290 nan 0.000 0.538 292 P HA 0.207 nan 4.420 nan 0.000 0.266 292 P C 0.023 177.273 177.300 -0.084 0.000 1.193 292 P CA 0.396 63.364 63.100 -0.219 0.000 0.770 292 P CB 0.738 32.234 31.700 -0.339 0.000 0.836 293 T N -2.052 112.503 114.554 0.003 0.000 2.883 293 T HA 0.392 4.738 4.350 -0.005 0.000 0.296 293 T C -0.456 174.260 174.700 0.027 0.000 1.117 293 T CA -0.890 61.221 62.100 0.018 0.000 1.006 293 T CB 0.584 69.483 68.868 0.052 0.000 1.191 293 T HN -0.027 nan 8.240 nan 0.000 0.508 294 V N 3.447 123.377 119.914 0.027 0.000 2.341 294 V HA 0.130 4.247 4.120 -0.005 0.000 0.248 294 V C 1.208 177.333 176.094 0.052 0.000 1.107 294 V CA 0.046 62.364 62.300 0.031 0.000 1.069 294 V CB -0.729 31.105 31.823 0.017 0.000 1.177 294 V HN 1.038 nan 8.190 nan 0.000 0.492 295 D N 3.158 123.604 120.400 0.075 0.000 2.323 295 D HA 0.039 4.676 4.640 -0.005 0.000 0.209 295 D C 1.629 177.982 176.300 0.088 0.000 0.973 295 D CA 0.875 54.933 54.000 0.097 0.000 0.874 295 D CB 0.149 41.038 40.800 0.148 0.000 0.930 295 D HN 0.723 nan 8.370 nan 0.000 0.521 296 G N 0.574 109.417 108.800 0.071 0.000 2.168 296 G HA2 -0.337 3.620 3.960 -0.005 0.000 0.263 296 G HA3 -0.337 3.620 3.960 -0.005 0.000 0.263 296 G C 0.559 175.507 174.900 0.080 0.000 0.977 296 G CA 0.811 45.945 45.100 0.057 0.000 0.659 296 G HN 0.535 nan 8.290 nan 0.000 0.533 297 D N -1.479 119.006 120.400 0.142 0.000 3.137 297 D HA 0.219 4.856 4.640 -0.005 0.000 0.236 297 D C 1.810 178.251 176.300 0.235 0.000 1.557 297 D CA 0.389 54.518 54.000 0.215 0.000 1.305 297 D CB -0.478 40.516 40.800 0.323 0.000 1.065 297 D HN 0.108 nan 8.370 nan 0.000 0.290 298 F N 0.651 120.665 119.950 0.107 0.000 2.095 298 F HA 0.055 4.579 4.527 -0.005 0.000 0.298 298 F C 0.571 176.285 175.800 -0.143 0.000 1.104 298 F CA 0.943 58.831 58.000 -0.186 0.000 1.232 298 F CB 0.282 38.938 39.000 -0.572 0.000 0.987 298 F HN -0.001 nan 8.300 nan 0.000 0.475 299 L N 0.434 121.710 121.223 0.088 0.000 2.343 299 L HA 0.253 4.589 4.340 -0.005 0.000 0.278 299 L C 0.969 177.835 176.870 -0.007 0.000 0.996 299 L CA -0.001 54.839 54.840 -0.001 0.000 0.831 299 L CB 1.219 43.316 42.059 0.063 0.000 1.232 299 L HN 0.191 nan 8.230 nan 0.000 0.413 300 T N -0.616 113.910 114.554 -0.046 0.000 3.065 300 T HA 0.239 4.586 4.350 -0.005 0.000 0.252 300 T C 0.406 175.092 174.700 -0.022 0.000 1.099 300 T CA 0.144 62.228 62.100 -0.028 0.000 1.063 300 T CB 0.144 68.987 68.868 -0.043 0.000 0.948 300 T HN 0.461 nan 8.240 nan 0.000 0.506 301 D N -0.396 119.984 120.400 -0.033 0.000 2.639 301 D HA 0.318 4.955 4.640 -0.005 0.000 0.271 301 D C -1.027 175.254 176.300 -0.032 0.000 1.254 301 D CA -0.827 53.158 54.000 -0.024 0.000 0.810 301 D CB 1.586 42.371 40.800 -0.023 0.000 1.351 301 D HN 0.093 nan 8.370 nan 0.000 0.427 302 M N 2.406 121.997 119.600 -0.015 0.000 2.327 302 M HA 0.117 4.593 4.480 -0.005 0.000 0.353 302 M C -1.364 174.918 176.300 -0.029 0.000 1.539 302 M CA -0.948 54.345 55.300 -0.012 0.000 1.039 302 M CB 0.535 33.144 32.600 0.015 0.000 1.967 302 M HN 0.189 nan 8.290 nan 0.000 0.459 303 P HA -0.196 nan 4.420 nan 0.000 0.220 303 P C 0.596 177.930 177.300 0.057 0.000 1.148 303 P CA 1.323 64.286 63.100 -0.228 0.000 0.803 303 P CB -0.275 31.016 31.700 -0.681 0.000 0.782 304 D N 0.729 121.238 120.400 0.181 0.000 2.133 304 D HA -0.187 4.450 4.640 -0.005 0.000 0.195 304 D C 2.006 178.409 176.300 0.172 0.000 0.997 304 D CA 1.135 55.275 54.000 0.233 0.000 0.840 304 D CB -0.953 39.943 40.800 0.159 0.000 0.947 304 D HN 0.252 nan 8.370 nan 0.000 0.452 305 I N 0.608 121.240 120.570 0.102 0.000 2.202 305 I HA -0.208 3.959 4.170 -0.005 0.000 0.242 305 I C 2.799 178.964 176.117 0.079 0.000 1.091 305 I CA 0.660 62.008 61.300 0.079 0.000 1.368 305 I CB -0.354 37.672 38.000 0.043 0.000 1.058 305 I HN -0.054 nan 8.210 nan 0.000 0.410 306 L N 0.192 121.450 121.223 0.058 0.000 2.017 306 L HA -0.230 4.107 4.340 -0.005 0.000 0.208 306 L C 2.655 179.622 176.870 0.161 0.000 1.073 306 L CA 0.998 55.869 54.840 0.052 0.000 0.745 306 L CB -0.640 41.423 42.059 0.007 0.000 0.894 306 L HN 0.259 nan 8.230 nan 0.000 0.432 307 L N 0.586 121.969 121.223 0.268 0.000 1.970 307 L HA -0.255 4.082 4.340 -0.005 0.000 0.212 307 L C 2.544 179.603 176.870 0.316 0.000 1.071 307 L CA 2.101 57.158 54.840 0.362 0.000 0.751 307 L CB -0.632 41.689 42.059 0.436 0.000 0.889 307 L HN 0.252 nan 8.230 nan 0.000 0.432 308 E N -0.450 119.898 120.200 0.248 0.000 2.118 308 E HA -0.192 4.155 4.350 -0.005 0.000 0.195 308 E C 1.681 178.461 176.600 0.301 0.000 0.992 308 E CA 1.619 58.172 56.400 0.254 0.000 0.804 308 E CB -0.282 29.526 29.700 0.180 0.000 0.741 308 E HN 0.592 nan 8.360 nan 0.000 0.458 309 L N -0.900 120.418 121.223 0.159 0.000 2.741 309 L HA 0.352 4.689 4.340 -0.005 0.000 0.237 309 L C 1.006 177.666 176.870 -0.352 0.000 1.178 309 L CA 0.087 54.975 54.840 0.080 0.000 0.973 309 L CB 0.124 42.202 42.059 0.033 0.000 1.255 309 L HN 0.363 nan 8.230 nan 0.000 0.498 310 G N 0.504 108.917 108.800 -0.646 0.000 2.221 310 G HA2 -0.253 3.704 3.960 -0.005 0.000 0.265 310 G HA3 -0.253 3.704 3.960 -0.005 0.000 0.265 310 G C 0.267 174.266 174.900 -1.500 0.000 1.041 310 G CA -0.103 43.825 45.100 -1.955 0.000 0.807 310 G HN 0.381 nan 8.290 nan 0.000 0.502 311 Q N -0.393 118.980 119.800 -0.711 0.000 2.963 311 Q HA 0.524 4.861 4.340 -0.005 0.000 0.262 311 Q C 0.126 176.013 176.000 -0.188 0.000 1.318 311 Q CA 0.097 55.639 55.803 -0.434 0.000 1.089 311 Q CB -0.332 28.294 28.738 -0.186 0.000 1.424 311 Q HN 0.773 nan 8.270 nan 0.000 0.560 312 F N -2.157 117.672 119.950 -0.200 0.000 2.664 312 F HA 0.526 5.049 4.527 -0.007 0.000 0.317 312 F C -0.080 175.601 175.800 -0.199 0.000 1.108 312 F CA -1.769 56.198 58.000 -0.055 0.000 0.957 312 F CB 1.025 40.075 39.000 0.083 0.000 1.365 312 F HN -0.176 nan 8.300 nan 0.000 0.475 313 K N 1.812 122.204 120.400 -0.013 0.000 2.412 313 K HA 0.109 4.426 4.320 -0.005 0.000 0.281 313 K C -0.671 175.973 176.600 0.073 0.000 1.027 313 K CA -0.389 55.714 56.287 -0.306 0.000 0.989 313 K CB 0.521 32.770 32.500 -0.419 0.000 0.935 313 K HN 0.519 nan 8.250 nan 0.000 0.475 314 K N 3.515 123.869 120.400 -0.077 0.000 2.292 314 K HA 0.122 4.439 4.320 -0.005 0.000 0.290 314 K C -0.093 176.579 176.600 0.120 0.000 1.083 314 K CA -0.049 56.248 56.287 0.016 0.000 0.918 314 K CB 1.205 33.654 32.500 -0.084 0.000 1.089 314 K HN 0.734 nan 8.250 nan 0.000 0.473 315 T N 1.335 116.082 114.554 0.323 0.000 2.648 315 T HA 0.244 4.591 4.350 -0.005 0.000 0.304 315 T C -1.429 173.511 174.700 0.401 0.000 1.312 315 T CA -0.616 61.648 62.100 0.273 0.000 1.023 315 T CB 0.955 69.930 68.868 0.178 0.000 1.612 315 T HN 0.369 nan 8.240 nan 0.000 0.487 316 Q N 1.226 121.207 119.800 0.302 0.000 2.235 316 Q HA 0.720 5.057 4.340 -0.005 0.000 0.250 316 Q C -0.278 175.999 176.000 0.462 0.000 0.909 316 Q CA -0.460 55.577 55.803 0.390 0.000 0.910 316 Q CB 1.163 30.110 28.738 0.348 0.000 1.223 316 Q HN 0.638 nan 8.270 nan 0.000 0.432 317 I N -1.433 119.350 120.570 0.355 0.000 2.785 317 I HA 0.669 4.836 4.170 -0.005 0.000 0.302 317 I C -1.306 174.791 176.117 -0.033 0.000 1.069 317 I CA -1.378 60.009 61.300 0.146 0.000 1.045 317 I CB 1.801 39.679 38.000 -0.202 0.000 1.236 317 I HN 0.504 nan 8.210 nan 0.000 0.429 318 L N 5.476 126.451 121.223 -0.413 0.000 2.372 318 L HA 0.727 5.064 4.340 -0.005 0.000 0.274 318 L C -1.481 175.190 176.870 -0.332 0.000 0.988 318 L CA -0.562 53.925 54.840 -0.589 0.000 0.833 318 L CB 1.635 42.854 42.059 -1.401 0.000 1.236 318 L HN 0.567 nan 8.230 nan 0.000 0.410 319 V N 3.798 123.568 119.914 -0.241 0.000 2.735 319 V HA 0.966 5.083 4.120 -0.005 0.000 0.310 319 V C 0.197 175.713 176.094 -0.963 0.000 1.061 319 V CA -0.309 61.767 62.300 -0.373 0.000 0.913 319 V CB 1.757 33.459 31.823 -0.202 0.000 1.005 319 V HN 0.895 nan 8.190 nan 0.000 0.428 320 G N 1.664 109.749 108.800 -1.192 0.000 2.623 320 G HA2 0.794 4.751 3.960 -0.005 0.000 0.290 320 G HA3 0.794 4.751 3.960 -0.005 0.000 0.290 320 G C -1.480 172.795 174.900 -1.041 0.000 1.437 320 G CA 0.045 43.817 45.100 -2.212 0.000 0.798 320 G HN 1.423 nan 8.290 nan 0.000 0.488 321 V N -2.403 117.150 119.914 -0.601 0.000 3.216 321 V HA 0.786 4.903 4.120 -0.005 0.000 0.302 321 V C -1.223 174.982 176.094 0.185 0.000 1.286 321 V CA -1.523 60.781 62.300 0.007 0.000 1.048 321 V CB 1.806 33.752 31.823 0.205 0.000 1.081 321 V HN 0.637 nan 8.190 nan 0.000 0.442 322 N N 1.069 119.869 118.700 0.166 0.000 2.489 322 N HA 0.440 5.176 4.740 -0.005 0.000 0.284 322 N C 0.622 176.135 175.510 0.004 0.000 1.158 322 N CA -0.407 52.719 53.050 0.127 0.000 0.965 322 N CB 1.810 40.383 38.487 0.144 0.000 1.195 322 N HN 0.960 nan 8.380 nan 0.000 0.506 323 K N 0.151 120.440 120.400 -0.184 0.000 2.097 323 K HA -0.050 4.267 4.320 -0.005 0.000 0.206 323 K C -0.593 176.061 176.600 0.090 0.000 1.049 323 K CA 1.257 57.442 56.287 -0.171 0.000 0.933 323 K CB 0.220 32.571 32.500 -0.247 0.000 0.717 323 K HN 0.503 nan 8.250 nan 0.000 0.442 324 D N 1.358 121.804 120.400 0.077 0.000 2.943 324 D HA 0.031 4.667 4.640 -0.005 0.000 0.347 324 D C 0.220 176.578 176.300 0.098 0.000 1.305 324 D CA -0.081 53.982 54.000 0.106 0.000 0.870 324 D CB 1.131 41.974 40.800 0.073 0.000 1.081 324 D HN 0.188 nan 8.370 nan 0.000 0.492 325 E N 0.609 120.880 120.200 0.119 0.000 2.114 325 E HA -0.178 4.169 4.350 -0.005 0.000 0.199 325 E C 1.993 178.673 176.600 0.133 0.000 1.008 325 E CA 1.070 57.510 56.400 0.067 0.000 0.810 325 E CB -0.031 29.698 29.700 0.048 0.000 0.739 325 E HN 0.421 nan 8.360 nan 0.000 0.456 326 G N 1.057 109.963 108.800 0.178 0.000 2.464 326 G HA2 -0.207 3.750 3.960 -0.005 0.000 0.217 326 G HA3 -0.207 3.750 3.960 -0.005 0.000 0.217 326 G C 1.709 176.723 174.900 0.189 0.000 1.138 326 G CA 1.333 46.553 45.100 0.199 0.000 0.793 326 G HN 0.402 nan 8.290 nan 0.000 0.539 327 T N -0.488 114.124 114.554 0.096 0.000 2.803 327 T HA 0.029 4.375 4.350 -0.005 0.000 0.269 327 T C 2.480 177.146 174.700 -0.056 0.000 1.052 327 T CA 1.629 63.760 62.100 0.051 0.000 1.136 327 T CB -0.304 68.530 68.868 -0.056 0.000 0.864 327 T HN 0.290 nan 8.240 nan 0.000 0.467 328 A N 0.644 123.347 122.820 -0.194 0.000 2.014 328 A HA 0.260 4.577 4.320 -0.005 0.000 0.218 328 A C 1.829 179.246 177.584 -0.278 0.000 1.163 328 A CA 0.713 52.466 52.037 -0.474 0.000 0.652 328 A CB -0.867 17.689 19.000 -0.739 0.000 0.808 328 A HN 0.563 nan 8.150 nan 0.000 0.449 329 F N -0.130 119.855 119.950 0.059 0.000 2.615 329 F HA 0.132 4.656 4.527 -0.005 0.000 0.297 329 F C 1.777 177.790 175.800 0.354 0.000 1.124 329 F CA 0.329 58.466 58.000 0.228 0.000 1.451 329 F CB -0.317 38.797 39.000 0.189 0.000 1.103 329 F HN 0.073 nan 8.300 nan 0.000 0.569 330 L N 0.105 121.503 121.223 0.290 0.000 2.201 330 L HA -0.126 4.210 4.340 -0.005 0.000 0.212 330 L C 2.195 179.150 176.870 0.141 0.000 1.105 330 L CA 0.869 55.733 54.840 0.040 0.000 0.775 330 L CB -0.745 41.063 42.059 -0.419 0.000 0.913 330 L HN 0.180 nan 8.230 nan 0.000 0.440 331 V N -5.486 114.599 119.914 0.286 0.000 3.623 331 V HA -0.099 4.018 4.120 -0.005 0.000 0.271 331 V C 1.072 177.248 176.094 0.136 0.000 1.248 331 V CA 0.378 62.852 62.300 0.291 0.000 1.156 331 V CB -1.116 30.891 31.823 0.307 0.000 0.870 331 V HN 0.257 nan 8.190 nan 0.000 0.453 332 Y N 2.179 122.627 120.300 0.246 0.000 2.775 332 Y HA 0.665 5.212 4.550 -0.005 0.000 0.349 332 Y C 1.639 177.583 175.900 0.074 0.000 1.094 332 Y CA 0.150 58.345 58.100 0.158 0.000 1.467 332 Y CB 0.268 38.808 38.460 0.133 0.000 1.272 332 Y HN 0.396 nan 8.280 nan 0.000 0.515 333 G N -1.107 107.796 108.800 0.171 0.000 2.370 333 G HA2 -0.042 3.914 3.960 -0.005 0.000 0.174 333 G HA3 -0.042 3.914 3.960 -0.005 0.000 0.174 333 G C 0.151 175.106 174.900 0.091 0.000 1.002 333 G CA -0.433 44.722 45.100 0.092 0.000 0.730 333 G HN 0.493 nan 8.290 nan 0.000 0.497 334 A N 2.059 124.968 122.820 0.148 0.000 2.454 334 A HA 0.655 4.972 4.320 -0.005 0.000 0.260 334 A C -1.534 176.259 177.584 0.349 0.000 1.106 334 A CA -0.776 51.383 52.037 0.204 0.000 0.780 334 A CB 0.104 19.160 19.000 0.093 0.000 1.044 334 A HN 0.183 nan 8.150 nan 0.000 0.498 335 P HA 0.283 nan 4.420 nan 0.000 0.271 335 P C 0.811 178.265 177.300 0.257 0.000 1.216 335 P CA 1.243 64.481 63.100 0.230 0.000 0.771 335 P CB 1.069 32.855 31.700 0.144 0.000 0.864 336 G N 1.393 110.273 108.800 0.133 0.000 2.175 336 G HA2 -0.222 3.735 3.960 -0.005 0.000 0.244 336 G HA3 -0.222 3.735 3.960 -0.005 0.000 0.244 336 G C -0.305 174.464 174.900 -0.219 0.000 0.982 336 G CA -0.481 44.583 45.100 -0.059 0.000 0.641 336 G HN 0.422 nan 8.290 nan 0.000 0.527 337 F N 1.179 121.143 119.950 0.024 0.000 2.422 337 F HA 0.775 5.299 4.527 -0.005 0.000 0.333 337 F C 0.614 176.486 175.800 0.120 0.000 1.095 337 F CA -0.084 57.934 58.000 0.030 0.000 1.038 337 F CB 2.314 41.390 39.000 0.127 0.000 1.156 337 F HN 0.136 nan 8.300 nan 0.000 0.483 338 S N 1.518 117.414 115.700 0.326 0.000 2.535 338 S HA 0.256 4.723 4.470 -0.005 0.000 0.272 338 S C 0.217 175.082 174.600 0.440 0.000 1.149 338 S CA -0.918 57.472 58.200 0.317 0.000 0.888 338 S CB 1.232 64.531 63.200 0.165 0.000 1.110 338 S HN 0.744 nan 8.310 nan 0.000 0.463 339 K N 1.622 122.205 120.400 0.305 0.000 2.442 339 K HA 0.086 4.402 4.320 -0.005 0.000 0.198 339 K C 0.041 176.709 176.600 0.113 0.000 1.042 339 K CA 1.240 57.649 56.287 0.202 0.000 0.958 339 K CB -0.079 32.352 32.500 -0.115 0.000 0.766 339 K HN 0.428 nan 8.250 nan 0.000 0.474 340 D N 1.020 121.474 120.400 0.090 0.000 2.368 340 D HA 0.048 4.684 4.640 -0.005 0.000 0.218 340 D C -0.494 175.849 176.300 0.072 0.000 1.112 340 D CA 0.113 54.135 54.000 0.035 0.000 0.834 340 D CB 0.119 40.915 40.800 -0.008 0.000 0.953 340 D HN 0.475 nan 8.370 nan 0.000 0.505 341 N N -0.704 118.077 118.700 0.135 0.000 3.106 341 N HA -0.028 4.709 4.740 -0.005 0.000 0.253 341 N C 0.075 175.640 175.510 0.091 0.000 1.506 341 N CA -0.658 52.442 53.050 0.083 0.000 0.876 341 N CB 0.137 38.628 38.487 0.007 0.000 1.452 341 N HN -0.282 nan 8.380 nan 0.000 0.542 342 N N -0.997 117.681 118.700 -0.037 0.000 2.515 342 N HA -0.017 4.720 4.740 -0.005 0.000 0.185 342 N C -0.716 174.418 175.510 -0.626 0.000 1.109 342 N CA 0.532 53.473 53.050 -0.183 0.000 0.903 342 N CB -0.464 37.984 38.487 -0.064 0.000 0.969 342 N HN 0.567 nan 8.380 nan 0.000 0.450 343 S N -0.453 114.925 115.700 -0.538 0.000 3.614 343 S HA -0.149 4.318 4.470 -0.005 0.000 0.360 343 S C -0.045 174.146 174.600 -0.681 0.000 1.023 343 S CA 0.129 57.888 58.200 -0.736 0.000 1.114 343 S CB -1.890 60.592 63.200 -1.197 0.000 0.907 343 S HN 0.389 nan 8.310 nan 0.000 0.470 344 I N 2.189 122.517 120.570 -0.402 0.000 2.662 344 I HA 0.175 4.342 4.170 -0.005 0.000 0.285 344 I C 0.828 176.785 176.117 -0.266 0.000 1.161 344 I CA 0.024 61.159 61.300 -0.275 0.000 1.415 344 I CB -0.645 37.257 38.000 -0.163 0.000 1.385 344 I HN 0.516 nan 8.210 nan 0.000 0.552 345 I N 3.392 123.834 120.570 -0.213 0.000 2.693 345 I HA 0.669 4.835 4.170 -0.005 0.000 0.303 345 I C 0.549 176.660 176.117 -0.011 0.000 1.025 345 I CA -0.724 60.487 61.300 -0.148 0.000 1.086 345 I CB 2.047 39.927 38.000 -0.200 0.000 1.268 345 I HN 0.569 nan 8.210 nan 0.000 0.440 346 T N 0.478 115.004 114.554 -0.046 0.000 2.788 346 T HA 0.318 4.665 4.350 -0.005 0.000 0.280 346 T C 0.981 175.483 174.700 -0.329 0.000 0.984 346 T CA -0.274 61.771 62.100 -0.092 0.000 0.972 346 T CB 1.332 70.161 68.868 -0.065 0.000 1.039 346 T HN 0.899 nan 8.240 nan 0.000 0.530 347 R N 0.280 120.433 120.500 -0.579 0.000 2.081 347 R HA -0.085 4.251 4.340 -0.005 0.000 0.235 347 R C 2.156 178.303 176.300 -0.254 0.000 1.131 347 R CA 1.339 56.935 56.100 -0.840 0.000 0.960 347 R CB -0.354 29.627 30.300 -0.533 0.000 0.856 347 R HN 0.521 nan 8.270 nan 0.000 0.436 348 K N 0.970 121.299 120.400 -0.119 0.000 2.063 348 K HA -0.150 4.167 4.320 -0.005 0.000 0.208 348 K C 1.756 178.372 176.600 0.027 0.000 1.048 348 K CA 1.999 58.275 56.287 -0.017 0.000 0.928 348 K CB -0.070 32.425 32.500 -0.008 0.000 0.713 348 K HN 0.376 nan 8.250 nan 0.000 0.442 349 E N -1.327 118.885 120.200 0.019 0.000 2.150 349 E HA -0.142 4.205 4.350 -0.005 0.000 0.193 349 E C 1.799 178.497 176.600 0.165 0.000 0.985 349 E CA 0.865 57.313 56.400 0.080 0.000 0.814 349 E CB -0.200 29.530 29.700 0.050 0.000 0.752 349 E HN 0.288 nan 8.360 nan 0.000 0.466 350 F N 1.972 121.924 119.950 0.003 0.000 2.075 350 F HA -0.239 4.284 4.527 -0.006 0.000 0.297 350 F C 2.334 178.194 175.800 0.100 0.000 1.113 350 F CA 1.655 59.712 58.000 0.095 0.000 1.218 350 F CB -0.029 39.010 39.000 0.065 0.000 0.984 350 F HN -0.094 nan 8.300 nan 0.000 0.472 351 Q N 0.058 120.048 119.800 0.316 0.000 2.077 351 Q HA -0.241 4.095 4.340 -0.005 0.000 0.206 351 Q C 2.163 178.217 176.000 0.089 0.000 0.989 351 Q CA 2.041 57.962 55.803 0.198 0.000 0.853 351 Q CB -0.252 28.580 28.738 0.158 0.000 0.907 351 Q HN 0.479 nan 8.270 nan 0.000 0.418 352 E N -0.428 119.824 120.200 0.086 0.000 2.072 352 E HA -0.136 4.211 4.350 -0.005 0.000 0.191 352 E C 2.120 178.766 176.600 0.078 0.000 0.985 352 E CA 1.147 57.593 56.400 0.077 0.000 0.801 352 E CB -0.472 29.275 29.700 0.077 0.000 0.750 352 E HN 0.503 nan 8.360 nan 0.000 0.452 353 G N 1.811 110.658 108.800 0.079 0.000 2.503 353 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.221 353 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.221 353 G C 1.719 176.698 174.900 0.132 0.000 1.131 353 G CA 0.784 45.947 45.100 0.104 0.000 0.756 353 G HN 0.170 nan 8.290 nan 0.000 0.572 354 L N -0.405 120.838 121.223 0.033 0.000 2.109 354 L HA -0.003 4.334 4.340 -0.005 0.000 0.207 354 L C 2.949 179.968 176.870 0.248 0.000 1.086 354 L CA 0.992 55.930 54.840 0.163 0.000 0.760 354 L CB -0.342 41.738 42.059 0.035 0.000 0.910 354 L HN 0.159 nan 8.230 nan 0.000 0.437 355 K N 0.192 120.671 120.400 0.131 0.000 2.103 355 K HA -0.181 4.136 4.320 -0.005 0.000 0.207 355 K C 2.049 178.667 176.600 0.030 0.000 1.048 355 K CA 1.182 57.520 56.287 0.085 0.000 0.930 355 K CB -0.025 32.508 32.500 0.054 0.000 0.716 355 K HN 0.225 nan 8.250 nan 0.000 0.444 356 I N -0.034 120.542 120.570 0.010 0.000 2.226 356 I HA -0.229 3.937 4.170 -0.005 0.000 0.245 356 I C 1.945 177.866 176.117 -0.327 0.000 1.100 356 I CA 1.595 62.800 61.300 -0.159 0.000 1.374 356 I CB -0.903 36.960 38.000 -0.227 0.000 1.057 356 I HN 0.037 nan 8.210 nan 0.000 0.413 357 F N -0.661 119.234 119.950 -0.092 0.000 2.664 357 F HA 0.066 4.589 4.527 -0.005 0.000 0.296 357 F C 0.733 176.150 175.800 -0.638 0.000 1.125 357 F CA 0.392 58.196 58.000 -0.327 0.000 1.444 357 F CB -0.028 38.753 39.000 -0.366 0.000 1.114 357 F HN -0.152 nan 8.300 nan 0.000 0.576 358 F N 0.340 120.338 119.950 0.081 0.000 2.564 358 F HA 0.325 4.849 4.527 -0.006 0.000 0.329 358 F C -1.746 174.010 175.800 -0.073 0.000 1.458 358 F CA -2.067 55.964 58.000 0.052 0.000 1.117 358 F CB 0.193 39.259 39.000 0.110 0.000 1.383 358 F HN -0.237 nan 8.300 nan 0.000 0.571 359 P HA -0.061 nan 4.420 nan 0.000 0.216 359 P C 0.718 177.695 177.300 -0.538 0.000 1.150 359 P CA 1.414 64.252 63.100 -0.436 0.000 0.843 359 P CB 0.524 31.747 31.700 -0.794 0.000 0.787 360 G N -1.124 107.428 108.800 -0.414 0.000 3.967 360 G HA2 0.289 4.245 3.960 -0.005 0.000 0.275 360 G HA3 0.289 4.245 3.960 -0.005 0.000 0.275 360 G C -0.768 174.162 174.900 0.050 0.000 3.717 360 G CA -0.541 44.483 45.100 -0.126 0.000 0.565 360 G HN -0.021 nan 8.290 nan 0.000 0.255 361 V N 0.182 120.154 119.914 0.098 0.000 4.828 361 V HA -0.231 3.885 4.120 -0.005 0.000 0.429 361 V C 1.437 177.591 176.094 0.099 0.000 0.686 361 V CA 0.898 63.271 62.300 0.122 0.000 1.653 361 V CB -2.021 29.953 31.823 0.252 0.000 1.964 361 V HN 1.762 nan 8.190 nan 0.000 0.484 362 S N 2.080 117.839 115.700 0.098 0.000 2.587 362 S HA 0.250 4.717 4.470 -0.005 0.000 0.260 362 S C 0.915 175.590 174.600 0.125 0.000 1.353 362 S CA 0.413 58.681 58.200 0.112 0.000 0.995 362 S CB 1.354 64.634 63.200 0.134 0.000 0.912 362 S HN 0.793 nan 8.310 nan 0.000 0.568 363 E N 0.353 120.633 120.200 0.133 0.000 2.072 363 E HA -0.046 4.301 4.350 -0.005 0.000 0.191 363 E C 1.515 178.204 176.600 0.150 0.000 0.985 363 E CA 1.426 57.902 56.400 0.126 0.000 0.801 363 E CB -0.508 29.262 29.700 0.117 0.000 0.750 363 E HN 0.753 nan 8.360 nan 0.000 0.452 364 F N 0.058 120.041 119.950 0.055 0.000 2.134 364 F HA -0.053 4.470 4.527 -0.006 0.000 0.299 364 F C 1.981 177.845 175.800 0.105 0.000 1.097 364 F CA 1.911 59.950 58.000 0.065 0.000 1.264 364 F CB -0.628 38.401 39.000 0.048 0.000 1.001 364 F HN 0.086 nan 8.300 nan 0.000 0.479 365 G N 0.761 109.579 108.800 0.031 0.000 2.491 365 G HA2 -0.321 3.635 3.960 -0.005 0.000 0.218 365 G HA3 -0.321 3.635 3.960 -0.005 0.000 0.218 365 G C 1.703 176.601 174.900 -0.004 0.000 1.180 365 G CA 1.166 46.265 45.100 -0.002 0.000 0.774 365 G HN 0.388 nan 8.290 nan 0.000 0.562 366 K N 0.258 120.665 120.400 0.012 0.000 2.147 366 K HA -0.029 4.288 4.320 -0.005 0.000 0.205 366 K C 2.369 178.956 176.600 -0.023 0.000 1.049 366 K CA 0.978 57.254 56.287 -0.018 0.000 0.936 366 K CB -0.092 32.427 32.500 0.032 0.000 0.722 366 K HN 0.299 nan 8.250 nan 0.000 0.446 367 E N 0.708 120.879 120.200 -0.048 0.000 2.153 367 E HA -0.149 4.198 4.350 -0.005 0.000 0.194 367 E C 2.167 178.708 176.600 -0.097 0.000 0.988 367 E CA 1.499 57.873 56.400 -0.042 0.000 0.811 367 E CB 0.017 29.691 29.700 -0.042 0.000 0.746 367 E HN 0.323 nan 8.360 nan 0.000 0.466 368 S N 0.574 116.133 115.700 -0.235 0.000 2.406 368 S HA -0.058 4.409 4.470 -0.005 0.000 0.228 368 S C 2.119 176.610 174.600 -0.182 0.000 1.020 368 S CA 0.396 58.443 58.200 -0.255 0.000 0.965 368 S CB -0.431 62.520 63.200 -0.415 0.000 0.798 368 S HN 0.170 nan 8.310 nan 0.000 0.488 369 I N 1.229 121.736 120.570 -0.105 0.000 2.226 369 I HA -0.113 4.054 4.170 -0.005 0.000 0.245 369 I C 2.562 178.674 176.117 -0.008 0.000 1.100 369 I CA 1.268 62.464 61.300 -0.174 0.000 1.374 369 I CB -0.512 37.377 38.000 -0.186 0.000 1.057 369 I HN 0.318 nan 8.210 nan 0.000 0.413 370 L N 0.557 121.828 121.223 0.080 0.000 2.017 370 L HA -0.238 4.099 4.340 -0.005 0.000 0.208 370 L C 2.508 179.343 176.870 -0.058 0.000 1.073 370 L CA 1.719 56.633 54.840 0.123 0.000 0.745 370 L CB -0.575 41.577 42.059 0.155 0.000 0.894 370 L HN 0.102 nan 8.230 nan 0.000 0.432 371 F N -0.176 119.650 119.950 -0.206 0.000 2.091 371 F HA -0.320 4.204 4.527 -0.006 0.000 0.299 371 F C 2.531 178.113 175.800 -0.362 0.000 1.103 371 F CA 2.234 60.073 58.000 -0.269 0.000 1.228 371 F CB -0.362 38.501 39.000 -0.228 0.000 0.984 371 F HN 0.329 nan 8.300 nan 0.000 0.477 372 H N -1.632 117.187 119.070 -0.419 0.000 2.353 372 H HA -0.167 4.386 4.556 -0.006 0.000 0.300 372 H C 1.256 176.172 175.328 -0.687 0.000 1.090 372 H CA 2.329 57.954 56.048 -0.705 0.000 1.327 372 H CB -0.393 28.611 29.762 -1.264 0.000 1.383 372 H HN 0.386 nan 8.280 nan 0.000 0.508 373 Y N -0.597 119.418 120.300 -0.474 0.000 2.468 373 Y HA 0.136 4.682 4.550 -0.005 0.000 0.268 373 Y C 0.994 176.530 175.900 -0.607 0.000 1.177 373 Y CA 0.683 58.559 58.100 -0.374 0.000 1.265 373 Y CB 0.696 39.114 38.460 -0.070 0.000 1.103 373 Y HN 0.313 nan 8.280 nan 0.000 0.522 374 T N -4.438 109.630 114.554 -0.811 0.000 3.460 374 T HA 0.109 4.455 4.350 -0.005 0.000 0.304 374 T C -0.413 173.307 174.700 -1.632 0.000 0.991 374 T CA -0.491 60.632 62.100 -1.628 0.000 0.975 374 T CB -0.121 68.037 68.868 -1.182 0.000 1.196 374 T HN -0.081 nan 8.240 nan 0.000 0.490 375 D N 1.675 121.425 120.400 -1.082 0.000 2.352 375 D HA 0.184 4.821 4.640 -0.005 0.000 0.245 375 D C -0.629 175.393 176.300 -0.464 0.000 1.224 375 D CA -0.447 53.074 54.000 -0.798 0.000 0.879 375 D CB 0.371 40.772 40.800 -0.665 0.000 1.057 375 D HN 0.490 nan 8.370 nan 0.000 0.491 376 W N 2.906 124.057 121.300 -0.248 0.000 2.266 376 W HA 0.275 4.931 4.660 -0.006 0.000 0.317 376 W C 0.643 177.064 176.519 -0.164 0.000 1.310 376 W CA -0.966 56.251 57.345 -0.212 0.000 1.207 376 W CB 1.186 30.520 29.460 -0.210 0.000 1.199 376 W HN 0.089 nan 8.180 nan 0.000 0.544 377 V N 4.555 124.588 119.914 0.199 0.000 2.562 377 V HA 0.111 4.228 4.120 -0.005 0.000 0.274 377 V C -0.736 175.365 176.094 0.012 0.000 1.075 377 V CA 0.410 62.745 62.300 0.059 0.000 1.204 377 V CB 0.221 32.056 31.823 0.020 0.000 1.478 377 V HN 0.785 nan 8.190 nan 0.000 0.622 378 D N -0.377 120.007 120.400 -0.026 0.000 1.810 378 D HA 0.027 4.664 4.640 -0.005 0.000 0.468 378 D C 1.344 177.582 176.300 -0.103 0.000 1.071 378 D CA 0.455 54.454 54.000 -0.002 0.000 1.103 378 D CB 0.287 41.097 40.800 0.016 0.000 1.846 378 D HN 0.260 nan 8.370 nan 0.000 0.522 379 D N 0.493 120.832 120.400 -0.102 0.000 3.181 379 D HA -0.256 4.381 4.640 -0.005 0.000 0.190 379 D C 0.044 176.265 176.300 -0.132 0.000 1.155 379 D CA 2.009 55.947 54.000 -0.104 0.000 0.901 379 D CB -0.069 40.674 40.800 -0.095 0.000 0.891 379 D HN 0.394 nan 8.370 nan 0.000 0.498 380 Q N -1.358 118.306 119.800 -0.226 0.000 2.456 380 Q HA -0.188 4.148 4.340 -0.005 0.000 0.325 380 Q C -0.570 175.331 176.000 -0.166 0.000 1.453 380 Q CA 0.778 56.435 55.803 -0.244 0.000 0.848 380 Q CB -1.133 27.506 28.738 -0.165 0.000 1.123 380 Q HN 0.302 nan 8.270 nan 0.000 0.374 381 R N -1.869 118.530 120.500 -0.168 0.000 2.983 381 R HA -0.171 4.166 4.340 -0.005 0.000 0.272 381 R C -2.161 173.977 176.300 -0.270 0.000 0.926 381 R CA 0.736 56.699 56.100 -0.228 0.000 0.667 381 R CB -0.629 29.492 30.300 -0.297 0.000 1.540 381 R HN 0.324 nan 8.270 nan 0.000 0.467 382 P HA -0.092 nan 4.420 nan 0.000 0.231 382 P C 0.913 178.123 177.300 -0.151 0.000 1.168 382 P CA 0.741 63.753 63.100 -0.147 0.000 0.779 382 P CB 0.159 31.802 31.700 -0.095 0.000 0.844 383 E N -0.767 119.338 120.200 -0.159 0.000 2.416 383 E HA -0.022 4.325 4.350 -0.005 0.000 0.189 383 E C 0.708 177.217 176.600 -0.152 0.000 1.091 383 E CA 0.255 56.582 56.400 -0.122 0.000 0.889 383 E CB -0.883 28.775 29.700 -0.071 0.000 1.015 383 E HN 0.128 nan 8.360 nan 0.000 0.479 384 N N 0.552 119.063 118.700 -0.315 0.000 2.135 384 N HA -0.076 4.661 4.740 -0.005 0.000 0.186 384 N C 1.091 176.395 175.510 -0.342 0.000 1.027 384 N CA 1.005 53.688 53.050 -0.613 0.000 0.849 384 N CB -0.337 37.342 38.487 -1.346 0.000 1.002 384 N HN 0.230 nan 8.380 nan 0.000 0.425 385 Y N 0.983 121.258 120.300 -0.041 0.000 2.286 385 Y HA 0.092 4.638 4.550 -0.005 0.000 0.293 385 Y C 2.473 178.570 175.900 0.328 0.000 1.124 385 Y CA 0.712 58.931 58.100 0.198 0.000 1.178 385 Y CB -0.221 38.355 38.460 0.193 0.000 1.010 385 Y HN 0.002 nan 8.280 nan 0.000 0.536 386 R N 0.902 121.581 120.500 0.298 0.000 2.094 386 R HA -0.239 4.098 4.340 -0.005 0.000 0.239 386 R C 1.900 178.409 176.300 0.348 0.000 1.137 386 R CA 2.235 58.484 56.100 0.248 0.000 0.943 386 R CB -0.266 30.002 30.300 -0.054 0.000 0.850 386 R HN 0.415 nan 8.270 nan 0.000 0.433 387 E N -0.428 119.916 120.200 0.240 0.000 2.077 387 E HA -0.183 4.164 4.350 -0.005 0.000 0.193 387 E C 1.947 178.737 176.600 0.317 0.000 0.989 387 E CA 1.132 57.683 56.400 0.252 0.000 0.800 387 E CB -0.108 29.681 29.700 0.148 0.000 0.746 387 E HN 0.505 nan 8.360 nan 0.000 0.452 388 A N 1.038 124.089 122.820 0.385 0.000 1.902 388 A HA -0.175 4.141 4.320 -0.005 0.000 0.217 388 A C 2.124 179.987 177.584 0.466 0.000 1.181 388 A CA 1.026 53.349 52.037 0.475 0.000 0.623 388 A CB -0.455 18.860 19.000 0.525 0.000 0.818 388 A HN 0.216 nan 8.150 nan 0.000 0.443 389 L N 0.000 121.553 121.223 0.549 0.000 2.093 389 L HA 0.044 4.381 4.340 -0.005 0.000 0.208 389 L C 2.425 179.321 176.870 0.045 0.000 1.085 389 L CA 2.029 57.010 54.840 0.235 0.000 0.755 389 L CB -1.053 41.108 42.059 0.171 0.000 0.904 389 L HN 0.312 nan 8.230 nan 0.000 0.435 390 G N -0.959 107.940 108.800 0.166 0.000 2.476 390 G HA2 -0.309 3.648 3.960 -0.005 0.000 0.218 390 G HA3 -0.309 3.648 3.960 -0.005 0.000 0.218 390 G C 1.318 176.281 174.900 0.106 0.000 1.164 390 G CA 0.983 46.164 45.100 0.136 0.000 0.768 390 G HN 0.398 nan 8.290 nan 0.000 0.560 391 D N 0.015 120.512 120.400 0.161 0.000 2.117 391 D HA -0.071 4.566 4.640 -0.005 0.000 0.198 391 D C 2.810 179.137 176.300 0.046 0.000 0.982 391 D CA 0.652 54.766 54.000 0.191 0.000 0.828 391 D CB -0.449 40.556 40.800 0.341 0.000 0.967 391 D HN 0.178 nan 8.370 nan 0.000 0.464 392 V N 0.741 120.523 119.914 -0.220 0.000 2.287 392 V HA -0.229 3.887 4.120 -0.005 0.000 0.248 392 V C 2.645 178.637 176.094 -0.169 0.000 1.053 392 V CA 1.228 63.329 62.300 -0.333 0.000 1.027 392 V CB -0.445 31.200 31.823 -0.296 0.000 0.646 392 V HN 0.063 nan 8.190 nan 0.000 0.447 393 V N 0.524 120.311 119.914 -0.212 0.000 2.453 393 V HA -0.108 4.009 4.120 -0.005 0.000 0.247 393 V C 2.567 178.573 176.094 -0.146 0.000 1.048 393 V CA 1.992 64.114 62.300 -0.298 0.000 1.049 393 V CB -1.229 30.235 31.823 -0.597 0.000 0.672 393 V HN 0.611 nan 8.190 nan 0.000 0.457 394 G N -0.261 108.543 108.800 0.007 0.000 2.404 394 G HA2 -0.219 3.738 3.960 -0.005 0.000 0.215 394 G HA3 -0.219 3.738 3.960 -0.005 0.000 0.215 394 G C 1.235 176.205 174.900 0.117 0.000 1.174 394 G CA 0.933 46.136 45.100 0.172 0.000 0.780 394 G HN 0.486 nan 8.290 nan 0.000 0.537 395 D N -0.535 119.907 120.400 0.070 0.000 2.117 395 D HA -0.119 4.518 4.640 -0.005 0.000 0.197 395 D C 1.960 178.081 176.300 -0.297 0.000 0.987 395 D CA 0.894 54.925 54.000 0.052 0.000 0.829 395 D CB -0.290 40.728 40.800 0.364 0.000 0.961 395 D HN 0.389 nan 8.370 nan 0.000 0.460 396 Y N 1.458 121.259 120.300 -0.833 0.000 2.286 396 Y HA -0.003 4.543 4.550 -0.006 0.000 0.293 396 Y C 1.719 177.254 175.900 -0.608 0.000 1.124 396 Y CA 1.184 58.586 58.100 -1.164 0.000 1.178 396 Y CB -0.082 37.470 38.460 -1.513 0.000 1.010 396 Y HN -0.118 nan 8.280 nan 0.000 0.536 397 N N -1.292 117.025 118.700 -0.639 0.000 2.395 397 N HA 0.005 4.742 4.740 -0.005 0.000 0.175 397 N C 0.855 175.855 175.510 -0.850 0.000 1.029 397 N CA 1.167 53.702 53.050 -0.858 0.000 0.897 397 N CB 0.080 37.944 38.487 -1.038 0.000 0.991 397 N HN 0.378 nan 8.380 nan 0.000 0.441 398 F N -0.090 119.813 119.950 -0.078 0.000 2.268 398 F HA 0.341 4.864 4.527 -0.006 0.000 0.262 398 F C 2.047 177.860 175.800 0.021 0.000 0.910 398 F CA -0.415 57.599 58.000 0.022 0.000 1.142 398 F CB 0.084 39.120 39.000 0.060 0.000 1.229 398 F HN -0.220 nan 8.300 nan 0.000 0.781 399 I N 0.158 120.880 120.570 0.253 0.000 2.133 399 I HA -0.290 3.876 4.170 -0.005 0.000 0.238 399 I C 2.199 178.387 176.117 0.119 0.000 1.074 399 I CA 1.352 62.781 61.300 0.214 0.000 1.342 399 I CB -0.673 37.468 38.000 0.234 0.000 1.053 399 I HN 0.306 nan 8.210 nan 0.000 0.404 400 c N 1.063 119.708 118.600 0.076 0.000 2.413 400 c HA -0.081 4.486 4.570 -0.005 0.000 0.276 400 c C 0.300 174.403 174.090 0.022 0.000 1.248 400 c CA 0.928 57.302 56.329 0.075 0.000 1.742 400 c CB -2.103 40.499 42.510 0.153 0.000 2.017 400 c HN 0.420 nan 8.230 nan 0.000 0.481 401 P HA -0.005 nan 4.420 nan 0.000 0.217 401 P C 1.612 178.886 177.300 -0.043 0.000 1.151 401 P CA 2.221 65.262 63.100 -0.098 0.000 0.828 401 P CB -0.217 31.330 31.700 -0.255 0.000 0.788 402 A N 0.157 122.981 122.820 0.007 0.000 1.859 402 A HA -0.222 4.095 4.320 -0.005 0.000 0.217 402 A C 2.242 179.911 177.584 0.142 0.000 1.198 402 A CA 1.894 53.988 52.037 0.096 0.000 0.629 402 A CB -1.825 17.289 19.000 0.191 0.000 0.830 402 A HN 0.124 nan 8.150 nan 0.000 0.446 403 L N -1.144 120.101 121.223 0.037 0.000 2.127 403 L HA -0.208 4.128 4.340 -0.005 0.000 0.211 403 L C 2.642 179.483 176.870 -0.048 0.000 1.089 403 L CA 1.770 56.515 54.840 -0.159 0.000 0.757 403 L CB -0.355 41.587 42.059 -0.195 0.000 0.899 403 L HN 0.523 nan 8.230 nan 0.000 0.434 404 E N -0.120 120.093 120.200 0.022 0.000 2.076 404 E HA -0.216 4.131 4.350 -0.005 0.000 0.190 404 E C 1.961 178.587 176.600 0.042 0.000 0.979 404 E CA 0.906 57.333 56.400 0.044 0.000 0.807 404 E CB -0.249 29.480 29.700 0.049 0.000 0.761 404 E HN 0.321 nan 8.360 nan 0.000 0.454 405 F N 0.939 120.817 119.950 -0.119 0.000 2.065 405 F HA -0.278 4.247 4.527 -0.004 0.000 0.298 405 F C 2.100 177.862 175.800 -0.063 0.000 1.112 405 F CA 2.309 60.217 58.000 -0.153 0.000 1.212 405 F CB -0.714 38.119 39.000 -0.279 0.000 0.975 405 F HN 0.031 nan 8.300 nan 0.000 0.476 406 T N 1.051 115.637 114.554 0.054 0.000 2.674 406 T HA -0.222 4.125 4.350 -0.005 0.000 0.265 406 T C 1.858 176.543 174.700 -0.025 0.000 1.039 406 T CA 1.915 63.963 62.100 -0.087 0.000 1.150 406 T CB -0.360 68.304 68.868 -0.340 0.000 0.864 406 T HN 0.285 nan 8.240 nan 0.000 0.427 407 K N 1.193 121.638 120.400 0.076 0.000 2.034 407 K HA -0.159 4.158 4.320 -0.005 0.000 0.214 407 K C 2.432 179.120 176.600 0.147 0.000 1.051 407 K CA 1.151 57.582 56.287 0.240 0.000 0.931 407 K CB -0.192 32.435 32.500 0.212 0.000 0.715 407 K HN 0.208 nan 8.250 nan 0.000 0.446 408 K N 0.705 121.145 120.400 0.067 0.000 2.032 408 K HA -0.143 4.174 4.320 -0.005 0.000 0.209 408 K C 2.115 178.808 176.600 0.156 0.000 1.048 408 K CA 1.268 57.616 56.287 0.103 0.000 0.927 408 K CB -0.643 31.892 32.500 0.059 0.000 0.712 408 K HN 0.139 nan 8.250 nan 0.000 0.441 409 F N 2.614 122.402 119.950 -0.270 0.000 2.126 409 F HA -0.276 4.247 4.527 -0.005 0.000 0.299 409 F C 2.600 178.490 175.800 0.148 0.000 1.096 409 F CA 2.107 59.922 58.000 -0.307 0.000 1.255 409 F CB -0.255 38.318 39.000 -0.711 0.000 0.997 409 F HN 0.123 nan 8.300 nan 0.000 0.479 410 S N -0.941 114.937 115.700 0.296 0.000 2.428 410 S HA -0.169 4.298 4.470 -0.005 0.000 0.230 410 S C 1.710 176.410 174.600 0.167 0.000 1.014 410 S CA 1.057 59.419 58.200 0.271 0.000 0.957 410 S CB -0.649 62.731 63.200 0.299 0.000 0.784 410 S HN 0.559 nan 8.310 nan 0.000 0.499 411 E N -0.252 120.029 120.200 0.134 0.000 2.463 411 E HA -0.046 4.301 4.350 -0.005 0.000 0.201 411 E C 0.010 176.476 176.600 -0.224 0.000 1.045 411 E CA 0.695 57.065 56.400 -0.051 0.000 0.872 411 E CB -0.089 29.544 29.700 -0.111 0.000 0.797 411 E HN 0.793 nan 8.360 nan 0.000 0.538 412 W N -0.602 120.697 121.300 -0.002 0.000 2.966 412 W HA 0.313 4.973 4.660 0.001 0.000 0.406 412 W C 1.060 177.536 176.519 -0.072 0.000 1.027 412 W CA 0.345 57.651 57.345 -0.065 0.000 1.930 412 W CB 1.014 30.391 29.460 -0.139 0.000 1.144 412 W HN 0.067 nan 8.180 nan 0.000 0.626 413 G N 0.476 109.338 108.800 0.104 0.000 2.176 413 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.232 413 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.232 413 G C -0.055 174.903 174.900 0.096 0.000 0.986 413 G CA -0.504 44.639 45.100 0.071 0.000 0.643 413 G HN 0.300 nan 8.290 nan 0.000 0.522 414 N N 0.682 119.467 118.700 0.141 0.000 2.487 414 N HA 0.510 5.247 4.740 -0.005 0.000 0.292 414 N C -0.244 175.382 175.510 0.193 0.000 1.108 414 N CA -0.787 52.380 53.050 0.194 0.000 0.956 414 N CB 0.478 39.151 38.487 0.310 0.000 1.176 414 N HN 0.135 nan 8.380 nan 0.000 0.484 415 N N 0.957 119.748 118.700 0.152 0.000 2.454 415 N HA 0.305 5.042 4.740 -0.005 0.000 0.260 415 N C -0.987 174.553 175.510 0.051 0.000 1.218 415 N CA 0.104 53.174 53.050 0.034 0.000 0.904 415 N CB 0.677 39.200 38.487 0.059 0.000 1.065 415 N HN 0.546 nan 8.380 nan 0.000 0.462 416 A N 1.874 124.587 122.820 -0.179 0.000 2.435 416 A HA 0.803 5.120 4.320 -0.005 0.000 0.304 416 A C -1.423 175.934 177.584 -0.380 0.000 1.064 416 A CA -0.604 51.391 52.037 -0.071 0.000 0.727 416 A CB 0.877 19.958 19.000 0.134 0.000 1.284 416 A HN 0.487 nan 8.150 nan 0.000 0.415 417 F N 0.654 120.616 119.950 0.020 0.000 2.557 417 F HA 0.601 5.126 4.527 -0.004 0.000 0.316 417 F C -0.797 175.136 175.800 0.223 0.000 1.141 417 F CA -0.346 57.625 58.000 -0.048 0.000 0.922 417 F CB 2.178 40.680 39.000 -0.829 0.000 1.194 417 F HN 0.547 nan 8.300 nan 0.000 0.443 418 F N 4.821 125.206 119.950 0.725 0.000 2.507 418 F HA 0.583 5.107 4.527 -0.005 0.000 0.325 418 F C -1.003 175.294 175.800 0.829 0.000 1.116 418 F CA -1.254 57.079 58.000 0.555 0.000 0.930 418 F CB 1.027 40.161 39.000 0.224 0.000 1.146 418 F HN 0.438 nan 8.300 nan 0.000 0.447 419 Y N 4.101 124.548 120.300 0.246 0.000 2.549 419 Y HA 0.671 5.218 4.550 -0.006 0.000 0.339 419 Y C -2.124 173.993 175.900 0.361 0.000 1.053 419 Y CA -1.693 56.573 58.100 0.277 0.000 1.105 419 Y CB 1.191 39.750 38.460 0.164 0.000 1.258 419 Y HN 0.561 nan 8.280 nan 0.000 0.478 420 Y N 4.083 124.700 120.300 0.527 0.000 2.363 420 Y HA 0.392 4.939 4.550 -0.005 0.000 0.325 420 Y C -1.874 174.302 175.900 0.460 0.000 0.984 420 Y CA -2.440 55.920 58.100 0.434 0.000 1.248 420 Y CB 0.672 39.393 38.460 0.435 0.000 1.116 420 Y HN 0.752 nan 8.280 nan 0.000 0.470 421 F N 6.958 127.020 119.950 0.188 0.000 2.444 421 F HA 0.279 4.802 4.527 -0.006 0.000 0.360 421 F C 0.705 176.392 175.800 -0.188 0.000 1.106 421 F CA 0.090 58.120 58.000 0.051 0.000 1.170 421 F CB 0.653 39.736 39.000 0.139 0.000 1.113 421 F HN 0.671 nan 8.300 nan 0.000 0.521 422 E N 4.067 123.881 120.200 -0.642 0.000 2.968 422 E HA 0.062 4.408 4.350 -0.005 0.000 0.202 422 E C -1.033 175.322 176.600 -0.409 0.000 0.979 422 E CA -0.483 55.651 56.400 -0.443 0.000 1.192 422 E CB -0.202 29.332 29.700 -0.276 0.000 1.059 422 E HN 0.669 nan 8.360 nan 0.000 0.470 423 H N 1.508 120.075 119.070 -0.837 0.000 2.519 423 H HA 0.322 4.875 4.556 -0.005 0.000 0.316 423 H C -0.743 174.443 175.328 -0.236 0.000 1.065 423 H CA -0.596 55.124 56.048 -0.547 0.000 1.264 423 H CB 1.020 30.338 29.762 -0.740 0.000 1.413 423 H HN 0.045 nan 8.280 nan 0.000 0.465 424 R N 4.366 124.500 120.500 -0.610 0.000 2.248 424 R HA 0.162 4.499 4.340 -0.005 0.000 0.328 424 R C -0.327 175.619 176.300 -0.591 0.000 1.067 424 R CA -0.282 55.561 56.100 -0.428 0.000 0.924 424 R CB 0.381 30.541 30.300 -0.233 0.000 1.013 424 R HN 0.690 nan 8.270 nan 0.000 0.454 425 S N 2.222 117.835 115.700 -0.146 0.000 2.546 425 S HA -0.070 4.397 4.470 -0.005 0.000 0.290 425 S C 1.434 176.088 174.600 0.089 0.000 1.290 425 S CA 0.237 58.554 58.200 0.195 0.000 1.069 425 S CB 0.670 64.144 63.200 0.457 0.000 0.846 425 S HN 0.783 nan 8.310 nan 0.000 0.495 426 S N 4.132 119.938 115.700 0.176 0.000 2.507 426 S HA 0.028 4.495 4.470 -0.005 0.000 0.235 426 S C 1.169 175.768 174.600 -0.000 0.000 0.988 426 S CA 0.549 58.796 58.200 0.079 0.000 0.944 426 S CB -0.179 63.100 63.200 0.132 0.000 0.762 426 S HN 0.814 nan 8.310 nan 0.000 0.526 427 K N 0.368 120.753 120.400 -0.024 0.000 2.361 427 K HA 0.341 4.658 4.320 -0.005 0.000 0.194 427 K C 0.252 176.825 176.600 -0.046 0.000 1.032 427 K CA -0.312 55.914 56.287 -0.101 0.000 1.048 427 K CB 0.012 32.353 32.500 -0.264 0.000 0.842 427 K HN 0.330 nan 8.250 nan 0.000 0.526 428 L N 3.748 124.961 121.223 -0.017 0.000 2.678 428 L HA -0.066 4.271 4.340 -0.005 0.000 0.285 428 L C -1.391 175.439 176.870 -0.067 0.000 1.233 428 L CA -0.266 54.533 54.840 -0.068 0.000 0.920 428 L CB 0.564 42.554 42.059 -0.115 0.000 1.176 428 L HN 0.051 nan 8.230 nan 0.000 0.495 429 P HA -0.024 nan 4.420 nan 0.000 0.245 429 P C -0.390 176.869 177.300 -0.069 0.000 1.203 429 P CA 0.312 63.332 63.100 -0.134 0.000 0.792 429 P CB 0.198 31.707 31.700 -0.319 0.000 0.997 430 W N 2.733 124.013 121.300 -0.032 0.000 2.184 430 W HA 0.315 4.972 4.660 -0.005 0.000 0.338 430 W C -1.657 174.757 176.519 -0.174 0.000 1.257 430 W CA -1.865 55.437 57.345 -0.073 0.000 1.243 430 W CB -0.684 28.650 29.460 -0.210 0.000 1.122 430 W HN -0.116 nan 8.180 nan 0.000 0.585 431 P HA 0.031 nan 4.420 nan 0.000 0.274 431 P C 0.580 177.775 177.300 -0.175 0.000 1.256 431 P CA -0.014 63.045 63.100 -0.069 0.000 0.795 431 P CB 0.926 32.622 31.700 -0.006 0.000 1.038 432 E N 0.668 120.834 120.200 -0.057 0.000 2.065 432 E HA -0.187 4.160 4.350 -0.005 0.000 0.201 432 E C 1.795 178.386 176.600 -0.014 0.000 1.016 432 E CA 1.783 58.170 56.400 -0.021 0.000 0.818 432 E CB -0.529 29.204 29.700 0.055 0.000 0.749 432 E HN 0.713 nan 8.360 nan 0.000 0.453 433 W N 0.168 121.500 121.300 0.054 0.000 2.480 433 W HA -0.085 4.572 4.660 -0.006 0.000 0.257 433 W C 1.419 177.987 176.519 0.082 0.000 1.235 433 W CA 0.423 57.808 57.345 0.066 0.000 1.218 433 W CB -0.724 28.781 29.460 0.074 0.000 1.131 433 W HN 0.002 nan 8.180 nan 0.000 0.606 434 M N 1.246 120.430 119.600 -0.693 0.000 2.558 434 M HA 0.146 4.622 4.480 -0.005 0.000 0.255 434 M C 1.729 177.879 176.300 -0.250 0.000 1.113 434 M CA 1.326 56.234 55.300 -0.654 0.000 1.097 434 M CB -0.594 31.488 32.600 -0.864 0.000 1.426 434 M HN 0.120 nan 8.290 nan 0.000 0.488 435 G N 0.686 109.400 108.800 -0.143 0.000 2.582 435 G HA2 -0.286 3.670 3.960 -0.005 0.000 0.288 435 G HA3 -0.286 3.670 3.960 -0.005 0.000 0.288 435 G C -0.191 174.659 174.900 -0.083 0.000 1.247 435 G CA -0.278 44.782 45.100 -0.066 0.000 0.972 435 G HN 0.205 nan 8.290 nan 0.000 0.557 436 V N 1.747 121.639 119.914 -0.036 0.000 2.313 436 V HA 0.389 4.505 4.120 -0.005 0.000 0.252 436 V C 1.141 177.264 176.094 0.048 0.000 1.112 436 V CA 0.382 62.687 62.300 0.008 0.000 0.984 436 V CB 0.264 32.095 31.823 0.013 0.000 1.157 436 V HN 0.526 nan 8.190 nan 0.000 0.493 437 M N 2.492 122.108 119.600 0.027 0.000 2.226 437 M HA 0.246 4.723 4.480 -0.005 0.000 0.324 437 M C 0.618 177.003 176.300 0.142 0.000 1.112 437 M CA -0.408 54.910 55.300 0.029 0.000 1.176 437 M CB 0.270 32.808 32.600 -0.104 0.000 1.430 437 M HN 0.657 nan 8.290 nan 0.000 0.462 438 H N 0.772 119.797 119.070 -0.075 0.000 3.157 438 H HA 0.156 4.708 4.556 -0.006 0.000 0.299 438 H C 0.913 176.133 175.328 -0.180 0.000 0.961 438 H CA 1.868 57.798 56.048 -0.195 0.000 1.428 438 H CB -0.029 29.537 29.762 -0.326 0.000 1.459 438 H HN 0.739 nan 8.280 nan 0.000 0.566 439 G N 3.704 112.164 108.800 -0.566 0.000 2.179 439 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.220 439 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.220 439 G C 0.287 174.941 174.900 -0.410 0.000 0.990 439 G CA 0.229 44.941 45.100 -0.647 0.000 0.646 439 G HN 0.625 nan 8.290 nan 0.000 0.517 440 Y N 1.183 121.469 120.300 -0.023 0.000 2.625 440 Y HA 0.304 4.851 4.550 -0.006 0.000 0.285 440 Y C 2.042 177.962 175.900 0.033 0.000 1.168 440 Y CA 0.503 58.668 58.100 0.108 0.000 1.250 440 Y CB 0.556 39.114 38.460 0.164 0.000 1.130 440 Y HN 0.446 nan 8.280 nan 0.000 0.526 441 E N -0.105 119.974 120.200 -0.201 0.000 2.389 441 E HA -0.018 4.329 4.350 -0.005 0.000 0.199 441 E C 1.547 178.033 176.600 -0.190 0.000 0.978 441 E CA 0.528 56.565 56.400 -0.604 0.000 0.912 441 E CB -0.308 28.638 29.700 -1.257 0.000 0.907 441 E HN 0.536 nan 8.360 nan 0.000 0.494 442 I N 3.007 123.545 120.570 -0.053 0.000 2.118 442 I HA -0.333 3.834 4.170 -0.005 0.000 0.241 442 I C 2.766 178.918 176.117 0.059 0.000 1.070 442 I CA 2.283 63.623 61.300 0.067 0.000 1.327 442 I CB -0.554 37.554 38.000 0.180 0.000 1.034 442 I HN 0.229 nan 8.210 nan 0.000 0.405 443 E N 1.199 121.381 120.200 -0.029 0.000 2.160 443 E HA -0.259 4.088 4.350 -0.005 0.000 0.195 443 E C 2.145 178.563 176.600 -0.303 0.000 0.991 443 E CA 1.596 57.893 56.400 -0.172 0.000 0.810 443 E CB -0.660 28.927 29.700 -0.188 0.000 0.742 443 E HN 0.434 nan 8.360 nan 0.000 0.466 444 F N 1.504 121.354 119.950 -0.167 0.000 2.102 444 F HA -0.137 4.387 4.527 -0.005 0.000 0.298 444 F C 2.548 178.158 175.800 -0.317 0.000 1.105 444 F CA 1.123 58.987 58.000 -0.227 0.000 1.239 444 F CB -0.426 38.498 39.000 -0.126 0.000 0.991 444 F HN -0.129 nan 8.300 nan 0.000 0.474 445 V N -1.095 118.677 119.914 -0.237 0.000 2.407 445 V HA -0.286 3.831 4.120 -0.005 0.000 0.248 445 V C 1.881 177.728 176.094 -0.411 0.000 1.055 445 V CA 1.622 63.623 62.300 -0.498 0.000 1.049 445 V CB -0.754 30.744 31.823 -0.542 0.000 0.662 445 V HN 0.216 nan 8.190 nan 0.000 0.455 446 F N 0.468 120.272 119.950 -0.244 0.000 2.780 446 F HA 0.370 4.894 4.527 -0.005 0.000 0.299 446 F C 1.828 177.553 175.800 -0.125 0.000 1.146 446 F CA 0.844 58.742 58.000 -0.171 0.000 1.428 446 F CB -0.114 38.763 39.000 -0.206 0.000 1.115 446 F HN 0.290 nan 8.300 nan 0.000 0.583 447 G N 0.512 109.234 108.800 -0.130 0.000 2.171 447 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.238 447 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.238 447 G C 0.984 175.565 174.900 -0.531 0.000 1.039 447 G CA 0.323 45.273 45.100 -0.250 0.000 0.759 447 G HN 0.369 nan 8.290 nan 0.000 0.501 448 L N -0.702 120.164 121.223 -0.595 0.000 2.046 448 L HA -0.047 4.290 4.340 -0.005 0.000 0.208 448 L C 0.154 176.597 176.870 -0.713 0.000 1.077 448 L CA 1.807 56.218 54.840 -0.715 0.000 0.747 448 L CB -1.437 40.340 42.059 -0.471 0.000 0.896 448 L HN 0.177 nan 8.230 nan 0.000 0.432 449 P HA -0.130 nan 4.420 nan 0.000 0.228 449 P C 1.842 178.869 177.300 -0.456 0.000 1.151 449 P CA 1.037 63.566 63.100 -0.952 0.000 0.770 449 P CB 0.008 31.031 31.700 -1.129 0.000 0.786 450 L N -0.785 120.181 121.223 -0.428 0.000 2.191 450 L HA -0.124 4.212 4.340 -0.005 0.000 0.212 450 L C 1.320 177.969 176.870 -0.368 0.000 1.103 450 L CA 0.827 55.439 54.840 -0.379 0.000 0.769 450 L CB -0.933 40.934 42.059 -0.319 0.000 0.908 450 L HN 0.021 nan 8.230 nan 0.000 0.438 451 E N 0.667 120.754 120.200 -0.188 0.000 2.104 451 E HA 0.015 4.362 4.350 -0.005 0.000 0.278 451 E C 1.100 177.705 176.600 0.008 0.000 1.127 451 E CA -0.023 56.400 56.400 0.037 0.000 0.897 451 E CB 0.557 30.294 29.700 0.062 0.000 1.043 451 E HN 0.085 nan 8.360 nan 0.000 0.410 452 R N 3.871 124.365 120.500 -0.011 0.000 2.073 452 R HA -0.144 4.193 4.340 -0.005 0.000 0.234 452 R C 1.866 178.183 176.300 0.029 0.000 1.134 452 R CA 1.546 57.644 56.100 -0.003 0.000 0.952 452 R CB -0.328 29.955 30.300 -0.030 0.000 0.850 452 R HN 0.559 nan 8.270 nan 0.000 0.433 453 R N 1.006 121.533 120.500 0.045 0.000 2.226 453 R HA -0.160 4.177 4.340 -0.005 0.000 0.246 453 R C 0.943 177.259 176.300 0.026 0.000 1.161 453 R CA 1.465 57.587 56.100 0.035 0.000 0.997 453 R CB -0.736 29.591 30.300 0.045 0.000 0.870 453 R HN 0.185 nan 8.270 nan 0.000 0.465 454 D N 1.393 121.825 120.400 0.053 0.000 2.378 454 D HA -0.072 4.565 4.640 -0.005 0.000 0.227 454 D C -0.028 176.234 176.300 -0.063 0.000 1.012 454 D CA 0.306 54.331 54.000 0.042 0.000 0.905 454 D CB 0.107 40.999 40.800 0.153 0.000 0.895 454 D HN 0.191 nan 8.370 nan 0.000 0.532 455 Q N -1.244 118.533 119.800 -0.038 0.000 2.478 455 Q HA -0.270 4.066 4.340 -0.005 0.000 0.286 455 Q C -0.883 175.022 176.000 -0.158 0.000 1.299 455 Q CA 0.601 56.350 55.803 -0.090 0.000 0.826 455 Q CB -2.954 25.705 28.738 -0.131 0.000 1.199 455 Q HN 0.479 nan 8.270 nan 0.000 0.451 456 Y N 0.757 121.033 120.300 -0.040 0.000 2.403 456 Y HA 0.358 4.905 4.550 -0.005 0.000 0.323 456 Y C 1.620 177.516 175.900 -0.007 0.000 1.226 456 Y CA 0.079 58.167 58.100 -0.020 0.000 1.235 456 Y CB 0.965 39.390 38.460 -0.059 0.000 1.248 456 Y HN 0.184 nan 8.280 nan 0.000 0.489 457 T N -1.639 113.038 114.554 0.206 0.000 2.856 457 T HA 0.074 4.420 4.350 -0.005 0.000 0.306 457 T C 1.136 175.884 174.700 0.079 0.000 1.062 457 T CA -0.678 61.491 62.100 0.115 0.000 1.083 457 T CB 0.950 69.886 68.868 0.114 0.000 0.984 457 T HN 0.710 nan 8.240 nan 0.000 0.542 458 K N 1.743 122.163 120.400 0.034 0.000 2.074 458 K HA -0.101 4.216 4.320 -0.005 0.000 0.209 458 K C 2.432 179.025 176.600 -0.010 0.000 1.048 458 K CA 1.840 58.127 56.287 0.001 0.000 0.926 458 K CB -1.075 31.419 32.500 -0.009 0.000 0.713 458 K HN 0.797 nan 8.250 nan 0.000 0.444 459 A N 0.478 123.295 122.820 -0.004 0.000 1.933 459 A HA -0.187 4.130 4.320 -0.005 0.000 0.218 459 A C 1.969 179.521 177.584 -0.053 0.000 1.175 459 A CA 1.864 53.880 52.037 -0.036 0.000 0.628 459 A CB -0.494 18.484 19.000 -0.037 0.000 0.814 459 A HN 0.504 nan 8.150 nan 0.000 0.444 460 E N -0.735 119.472 120.200 0.011 0.000 2.072 460 E HA -0.184 4.163 4.350 -0.005 0.000 0.191 460 E C 2.064 178.678 176.600 0.023 0.000 0.985 460 E CA 0.975 57.427 56.400 0.086 0.000 0.801 460 E CB -0.121 29.755 29.700 0.295 0.000 0.750 460 E HN 0.778 nan 8.360 nan 0.000 0.452 461 E N 0.718 120.890 120.200 -0.047 0.000 2.070 461 E HA -0.232 4.115 4.350 -0.005 0.000 0.197 461 E C 2.029 178.574 176.600 -0.093 0.000 1.004 461 E CA 1.039 57.369 56.400 -0.116 0.000 0.805 461 E CB 0.077 29.711 29.700 -0.110 0.000 0.744 461 E HN 0.155 nan 8.360 nan 0.000 0.451 462 I N 1.153 121.682 120.570 -0.067 0.000 2.179 462 I HA -0.254 3.912 4.170 -0.005 0.000 0.242 462 I C 2.694 178.777 176.117 -0.057 0.000 1.088 462 I CA 0.774 62.038 61.300 -0.062 0.000 1.357 462 I CB -1.282 36.685 38.000 -0.055 0.000 1.051 462 I HN 0.294 nan 8.210 nan 0.000 0.409 463 L N 0.463 121.649 121.223 -0.063 0.000 2.042 463 L HA -0.202 4.135 4.340 -0.005 0.000 0.210 463 L C 2.698 179.569 176.870 0.001 0.000 1.076 463 L CA 1.953 56.752 54.840 -0.068 0.000 0.749 463 L CB -0.831 41.124 42.059 -0.173 0.000 0.893 463 L HN 0.101 nan 8.230 nan 0.000 0.432 464 S N -0.746 114.988 115.700 0.057 0.000 2.356 464 S HA -0.242 4.225 4.470 -0.005 0.000 0.223 464 S C 2.205 176.763 174.600 -0.070 0.000 1.032 464 S CA 1.370 59.577 58.200 0.011 0.000 1.005 464 S CB -0.359 62.757 63.200 -0.141 0.000 0.867 464 S HN 0.556 nan 8.310 nan 0.000 0.449 465 R N 0.938 121.394 120.500 -0.074 0.000 2.127 465 R HA 0.039 4.375 4.340 -0.005 0.000 0.238 465 R C 2.398 178.683 176.300 -0.025 0.000 1.134 465 R CA 1.956 58.020 56.100 -0.060 0.000 0.975 465 R CB -0.897 29.364 30.300 -0.065 0.000 0.865 465 R HN 0.351 nan 8.270 nan 0.000 0.447 466 S N -0.821 114.869 115.700 -0.018 0.000 2.406 466 S HA 0.095 4.561 4.470 -0.005 0.000 0.224 466 S C 1.802 176.426 174.600 0.040 0.000 1.030 466 S CA 0.726 58.936 58.200 0.016 0.000 0.958 466 S CB -0.126 63.075 63.200 0.003 0.000 0.811 466 S HN 0.372 nan 8.310 nan 0.000 0.489 467 I N 1.064 121.615 120.570 -0.030 0.000 2.226 467 I HA -0.137 4.030 4.170 -0.005 0.000 0.245 467 I C 2.253 178.307 176.117 -0.105 0.000 1.100 467 I CA 0.901 62.124 61.300 -0.129 0.000 1.374 467 I CB -0.331 37.451 38.000 -0.364 0.000 1.057 467 I HN 0.177 nan 8.210 nan 0.000 0.413 468 V N 0.949 120.796 119.914 -0.111 0.000 2.295 468 V HA -0.318 3.799 4.120 -0.005 0.000 0.246 468 V C 2.549 178.681 176.094 0.063 0.000 1.049 468 V CA 2.061 64.322 62.300 -0.066 0.000 1.024 468 V CB -0.598 31.181 31.823 -0.073 0.000 0.648 468 V HN 0.364 nan 8.190 nan 0.000 0.447 469 K N 0.626 121.071 120.400 0.075 0.000 2.032 469 K HA -0.181 4.136 4.320 -0.005 0.000 0.209 469 K C 2.216 178.923 176.600 0.178 0.000 1.048 469 K CA 1.730 58.083 56.287 0.110 0.000 0.927 469 K CB -0.430 32.126 32.500 0.094 0.000 0.712 469 K HN 0.352 nan 8.250 nan 0.000 0.441 470 R N -1.068 119.583 120.500 0.252 0.000 2.081 470 R HA -0.109 4.227 4.340 -0.005 0.000 0.235 470 R C 2.441 178.955 176.300 0.356 0.000 1.131 470 R CA 1.748 58.050 56.100 0.335 0.000 0.960 470 R CB -0.481 30.122 30.300 0.504 0.000 0.856 470 R HN 0.405 nan 8.270 nan 0.000 0.436 471 W N 0.312 121.615 121.300 0.004 0.000 2.358 471 W HA -0.162 4.496 4.660 -0.004 0.000 0.303 471 W C 2.327 178.822 176.519 -0.039 0.000 1.208 471 W CA 0.853 58.169 57.345 -0.048 0.000 1.274 471 W CB -0.097 29.276 29.460 -0.144 0.000 1.138 471 W HN 0.255 nan 8.180 nan 0.000 0.515 472 A N 0.321 123.238 122.820 0.161 0.000 1.897 472 A HA -0.180 4.137 4.320 -0.005 0.000 0.215 472 A C 1.714 179.287 177.584 -0.019 0.000 1.181 472 A CA 1.498 53.552 52.037 0.028 0.000 0.620 472 A CB -1.005 18.009 19.000 0.022 0.000 0.821 472 A HN 0.180 nan 8.150 nan 0.000 0.443 473 N N -0.799 117.945 118.700 0.073 0.000 2.205 473 N HA -0.153 4.584 4.740 -0.005 0.000 0.186 473 N C 1.352 176.874 175.510 0.020 0.000 1.015 473 N CA 1.408 54.530 53.050 0.119 0.000 0.862 473 N CB -0.583 38.045 38.487 0.235 0.000 0.986 473 N HN 0.541 nan 8.380 nan 0.000 0.429 474 F N 1.552 121.415 119.950 -0.145 0.000 2.075 474 F HA -0.115 4.408 4.527 -0.007 0.000 0.297 474 F C 2.194 177.874 175.800 -0.201 0.000 1.113 474 F CA 1.508 59.368 58.000 -0.234 0.000 1.218 474 F CB -0.598 38.174 39.000 -0.379 0.000 0.984 474 F HN 0.037 nan 8.300 nan 0.000 0.472 475 A N 0.525 123.244 122.820 -0.169 0.000 1.873 475 A HA -0.268 4.049 4.320 -0.005 0.000 0.218 475 A C 2.205 179.568 177.584 -0.369 0.000 1.193 475 A CA 2.339 54.219 52.037 -0.263 0.000 0.629 475 A CB -0.837 18.073 19.000 -0.149 0.000 0.826 475 A HN 0.512 nan 8.150 nan 0.000 0.447 476 K N -2.177 117.933 120.400 -0.483 0.000 2.217 476 K HA -0.054 4.263 4.320 -0.005 0.000 0.202 476 K C 1.135 177.278 176.600 -0.763 0.000 1.051 476 K CA 1.606 57.446 56.287 -0.746 0.000 0.952 476 K CB -0.163 31.581 32.500 -1.260 0.000 0.736 476 K HN 0.768 nan 8.250 nan 0.000 0.453 477 Y N -1.798 118.409 120.300 -0.155 0.000 2.425 477 Y HA 0.236 4.783 4.550 -0.006 0.000 0.261 477 Y C 1.228 177.016 175.900 -0.186 0.000 1.084 477 Y CA -0.222 57.800 58.100 -0.131 0.000 1.248 477 Y CB 1.427 39.842 38.460 -0.075 0.000 1.270 477 Y HN 0.102 nan 8.280 nan 0.000 0.524 478 G N 1.632 110.264 108.800 -0.280 0.000 2.153 478 G HA2 -0.301 3.656 3.960 -0.005 0.000 0.252 478 G HA3 -0.301 3.656 3.960 -0.005 0.000 0.252 478 G C -0.404 174.436 174.900 -0.101 0.000 0.994 478 G CA 0.359 45.224 45.100 -0.391 0.000 0.698 478 G HN 0.324 nan 8.290 nan 0.000 0.521 479 N N -0.057 118.598 118.700 -0.075 0.000 2.533 479 N HA 0.461 5.198 4.740 -0.005 0.000 0.289 479 N C -2.845 172.549 175.510 -0.193 0.000 1.103 479 N CA -1.749 51.209 53.050 -0.153 0.000 0.877 479 N CB 2.457 40.950 38.487 0.010 0.000 1.419 479 N HN -0.019 nan 8.380 nan 0.000 0.517 480 P HA 0.189 nan 4.420 nan 0.000 0.208 480 P C -0.681 176.618 177.300 -0.001 0.000 1.837 480 P CA -0.244 62.704 63.100 -0.253 0.000 0.953 480 P CB 0.158 31.469 31.700 -0.648 0.000 1.870 481 Q N 0.567 120.397 119.800 0.049 0.000 2.260 481 Q HA 0.254 4.591 4.340 -0.005 0.000 0.242 481 Q C 0.243 176.332 176.000 0.148 0.000 0.932 481 Q CA -0.200 55.685 55.803 0.138 0.000 0.891 481 Q CB 1.471 30.272 28.738 0.105 0.000 1.222 481 Q HN 0.219 nan 8.270 nan 0.000 0.453 482 E N 1.883 122.173 120.200 0.151 0.000 2.035 482 E HA 0.097 4.444 4.350 -0.005 0.000 0.271 482 E C 0.208 176.860 176.600 0.087 0.000 0.953 482 E CA -0.168 56.300 56.400 0.113 0.000 0.777 482 E CB 0.725 30.487 29.700 0.104 0.000 1.104 482 E HN 0.696 nan 8.360 nan 0.000 0.408 483 T N 1.116 115.712 114.554 0.070 0.000 3.067 483 T HA 0.003 4.350 4.350 -0.005 0.000 0.261 483 T C 1.225 175.949 174.700 0.040 0.000 1.110 483 T CA 0.651 62.781 62.100 0.051 0.000 1.113 483 T CB 0.210 69.096 68.868 0.031 0.000 0.917 483 T HN 0.367 nan 8.240 nan 0.000 0.499 484 Q N 0.504 120.327 119.800 0.039 0.000 2.396 484 Q HA 0.252 4.589 4.340 -0.005 0.000 0.220 484 Q C 0.624 176.639 176.000 0.026 0.000 0.900 484 Q CA 0.263 56.083 55.803 0.029 0.000 0.925 484 Q CB 0.387 29.141 28.738 0.028 0.000 1.065 484 Q HN 0.350 nan 8.270 nan 0.000 0.535 485 N N 0.975 119.691 118.700 0.028 0.000 2.389 485 N HA 0.097 4.834 4.740 -0.005 0.000 0.260 485 N C -1.129 174.394 175.510 0.022 0.000 1.191 485 N CA 0.010 53.072 53.050 0.021 0.000 0.885 485 N CB 0.939 39.436 38.487 0.016 0.000 1.162 485 N HN 0.026 nan 8.380 nan 0.000 0.512 486 Q N -0.890 118.926 119.800 0.026 0.000 2.459 486 Q HA -0.158 4.179 4.340 -0.005 0.000 0.322 486 Q C -0.725 175.293 176.000 0.030 0.000 1.427 486 Q CA 0.535 56.354 55.803 0.027 0.000 0.861 486 Q CB -1.891 26.859 28.738 0.019 0.000 1.137 486 Q HN 0.185 nan 8.270 nan 0.000 0.394 487 S N -0.648 115.078 115.700 0.042 0.000 2.672 487 S HA 0.499 4.965 4.470 -0.005 0.000 0.276 487 S C 0.417 175.051 174.600 0.058 0.000 1.207 487 S CA -0.770 57.458 58.200 0.047 0.000 1.002 487 S CB 1.419 64.656 63.200 0.062 0.000 0.998 487 S HN 0.302 nan 8.310 nan 0.000 0.542 488 T N 2.287 116.874 114.554 0.054 0.000 2.916 488 T HA 0.118 4.465 4.350 -0.005 0.000 0.303 488 T C 0.399 175.167 174.700 0.115 0.000 1.025 488 T CA 0.225 62.362 62.100 0.063 0.000 1.142 488 T CB 0.593 69.480 68.868 0.032 0.000 0.947 488 T HN 0.464 nan 8.240 nan 0.000 0.544 489 S N 2.480 118.260 115.700 0.134 0.000 2.548 489 S HA 0.216 4.683 4.470 -0.005 0.000 0.277 489 S C -0.750 174.034 174.600 0.307 0.000 1.315 489 S CA -0.683 57.637 58.200 0.200 0.000 1.050 489 S CB 0.126 63.425 63.200 0.164 0.000 0.918 489 S HN 0.625 nan 8.310 nan 0.000 0.497 490 W N 8.097 129.497 121.300 0.167 0.000 2.291 490 W HA 0.446 5.102 4.660 -0.007 0.000 0.312 490 W C -2.663 174.069 176.519 0.355 0.000 1.061 490 W CA -3.134 54.358 57.345 0.246 0.000 1.296 490 W CB 0.424 30.021 29.460 0.229 0.000 1.223 490 W HN 0.467 nan 8.180 nan 0.000 0.421 491 P HA 0.116 nan 4.420 nan 0.000 0.274 491 P C -0.171 177.385 177.300 0.426 0.000 1.231 491 P CA -0.112 63.259 63.100 0.452 0.000 0.790 491 P CB 1.283 33.162 31.700 0.298 0.000 0.951 492 V N 0.272 120.259 119.914 0.123 0.000 2.881 492 V HA 0.309 4.426 4.120 -0.005 0.000 0.303 492 V C -0.197 175.919 176.094 0.037 0.000 1.070 492 V CA -0.673 61.483 62.300 -0.241 0.000 1.074 492 V CB -0.067 31.534 31.823 -0.371 0.000 1.012 492 V HN 0.350 nan 8.190 nan 0.000 0.482 493 F N 5.267 125.174 119.950 -0.072 0.000 2.438 493 F HA 0.491 5.016 4.527 -0.003 0.000 0.360 493 F C 0.588 176.401 175.800 0.021 0.000 1.118 493 F CA -0.232 57.808 58.000 0.066 0.000 1.164 493 F CB 0.230 39.318 39.000 0.147 0.000 1.131 493 F HN 0.633 nan 8.300 nan 0.000 0.527 494 K N 4.059 124.324 120.400 -0.226 0.000 2.208 494 K HA 0.463 4.780 4.320 -0.005 0.000 0.247 494 K C -0.037 176.390 176.600 -0.288 0.000 0.953 494 K CA -1.052 55.157 56.287 -0.130 0.000 0.837 494 K CB 1.633 34.083 32.500 -0.083 0.000 1.131 494 K HN 0.439 nan 8.250 nan 0.000 0.431 495 S N 0.847 116.491 115.700 -0.094 0.000 2.587 495 S HA 0.005 4.472 4.470 -0.005 0.000 0.260 495 S C 1.020 175.552 174.600 -0.114 0.000 1.353 495 S CA 0.907 59.054 58.200 -0.087 0.000 0.995 495 S CB 0.445 63.643 63.200 -0.002 0.000 0.912 495 S HN 1.028 nan 8.310 nan 0.000 0.568 496 T N -0.282 114.219 114.554 -0.089 0.000 13.764 496 T HA -0.333 4.014 4.350 -0.005 0.000 0.419 496 T C 1.103 175.738 174.700 -0.108 0.000 1.442 496 T CA 1.504 63.557 62.100 -0.078 0.000 2.346 496 T CB -2.118 66.713 68.868 -0.060 0.000 2.780 496 T HN 0.724 nan 8.240 nan 0.000 0.453 497 E N 2.186 122.301 120.200 -0.142 0.000 2.086 497 E HA 0.122 4.469 4.350 -0.005 0.000 0.190 497 E C 1.054 177.528 176.600 -0.210 0.000 0.975 497 E CA 0.727 57.045 56.400 -0.137 0.000 0.813 497 E CB -0.227 29.410 29.700 -0.104 0.000 0.768 497 E HN 0.895 nan 8.360 nan 0.000 0.457 498 Q N 1.193 120.725 119.800 -0.447 0.000 2.452 498 Q HA -0.167 4.169 4.340 -0.005 0.000 0.318 498 Q C -0.923 174.912 176.000 -0.275 0.000 1.386 498 Q CA 0.550 55.882 55.803 -0.784 0.000 0.872 498 Q CB -1.346 27.128 28.738 -0.441 0.000 1.151 498 Q HN 0.222 nan 8.270 nan 0.000 0.417 499 K N 0.822 121.141 120.400 -0.136 0.000 2.295 499 K HA 0.359 4.676 4.320 -0.005 0.000 0.270 499 K C -0.141 176.724 176.600 0.442 0.000 1.011 499 K CA 0.139 56.495 56.287 0.115 0.000 0.953 499 K CB 0.399 32.954 32.500 0.091 0.000 0.956 499 K HN 0.276 nan 8.250 nan 0.000 0.477 500 Y N -0.866 119.619 120.300 0.308 0.000 2.625 500 Y HA 0.588 5.134 4.550 -0.006 0.000 0.338 500 Y C -1.638 174.404 175.900 0.237 0.000 1.123 500 Y CA -1.658 56.716 58.100 0.457 0.000 1.046 500 Y CB 0.751 39.546 38.460 0.559 0.000 1.299 500 Y HN 0.344 nan 8.280 nan 0.000 0.464 501 L N 2.733 124.052 121.223 0.160 0.000 2.317 501 L HA 0.721 5.057 4.340 -0.005 0.000 0.281 501 L C -0.098 176.798 176.870 0.042 0.000 1.024 501 L CA -0.180 54.543 54.840 -0.194 0.000 0.810 501 L CB 1.804 43.353 42.059 -0.850 0.000 1.240 501 L HN 0.959 nan 8.230 nan 0.000 0.427 502 T N 3.146 117.716 114.554 0.026 0.000 2.882 502 T HA 0.598 4.945 4.350 -0.005 0.000 0.287 502 T C -0.277 174.422 174.700 -0.002 0.000 0.992 502 T CA -0.648 61.543 62.100 0.151 0.000 1.076 502 T CB 0.709 69.683 68.868 0.177 0.000 0.961 502 T HN 0.504 nan 8.240 nan 0.000 0.490 503 L N 4.015 125.221 121.223 -0.028 0.000 2.298 503 L HA 0.589 4.926 4.340 -0.005 0.000 0.284 503 L C -0.148 176.531 176.870 -0.319 0.000 1.013 503 L CA -0.762 53.981 54.840 -0.163 0.000 0.824 503 L CB 0.913 42.900 42.059 -0.119 0.000 1.221 503 L HN 0.990 nan 8.230 nan 0.000 0.418 504 N N -0.930 117.610 118.700 -0.266 0.000 2.934 504 N HA 0.314 5.051 4.740 -0.005 0.000 0.253 504 N C 0.347 175.700 175.510 -0.261 0.000 1.466 504 N CA -0.377 52.503 53.050 -0.283 0.000 0.858 504 N CB 0.969 39.358 38.487 -0.162 0.000 1.459 504 N HN 0.283 nan 8.380 nan 0.000 0.532 505 T N -3.165 111.230 114.554 -0.265 0.000 3.023 505 T HA 0.069 4.416 4.350 -0.005 0.000 0.266 505 T C 0.654 175.276 174.700 -0.130 0.000 1.093 505 T CA 1.130 63.079 62.100 -0.252 0.000 1.129 505 T CB -0.344 68.352 68.868 -0.287 0.000 0.899 505 T HN 0.569 nan 8.240 nan 0.000 0.491 506 E N 2.467 122.613 120.200 -0.090 0.000 2.035 506 E HA 0.156 4.503 4.350 -0.005 0.000 0.191 506 E C 0.790 177.359 176.600 -0.051 0.000 0.966 506 E CA 0.777 57.145 56.400 -0.054 0.000 0.823 506 E CB 0.109 29.790 29.700 -0.031 0.000 0.791 506 E HN 0.578 nan 8.360 nan 0.000 0.459 507 S N 0.309 115.980 115.700 -0.048 0.000 2.677 507 S HA 0.359 4.826 4.470 -0.005 0.000 0.283 507 S C -0.384 174.190 174.600 -0.042 0.000 1.159 507 S CA -0.929 57.249 58.200 -0.037 0.000 1.001 507 S CB 1.134 64.320 63.200 -0.022 0.000 1.032 507 S HN 0.177 nan 8.310 nan 0.000 0.487 508 T N 1.556 116.083 114.554 -0.045 0.000 2.869 508 T HA 0.586 4.932 4.350 -0.005 0.000 0.295 508 T C -0.111 174.564 174.700 -0.043 0.000 0.987 508 T CA -0.704 61.365 62.100 -0.052 0.000 1.109 508 T CB 0.303 69.130 68.868 -0.068 0.000 0.932 508 T HN 0.761 nan 8.240 nan 0.000 0.518 509 R N 2.281 122.751 120.500 -0.050 0.000 2.637 509 R HA 0.509 4.846 4.340 -0.005 0.000 0.291 509 R C -0.425 175.811 176.300 -0.106 0.000 0.963 509 R CA -1.139 54.926 56.100 -0.059 0.000 0.901 509 R CB 1.359 31.631 30.300 -0.048 0.000 1.160 509 R HN 0.535 nan 8.270 nan 0.000 0.457 510 I N 4.095 124.609 120.570 -0.093 0.000 2.337 510 I HA 0.224 4.391 4.170 -0.005 0.000 0.291 510 I C 0.310 176.304 176.117 -0.204 0.000 1.046 510 I CA 0.206 61.427 61.300 -0.131 0.000 1.324 510 I CB 0.380 38.355 38.000 -0.042 0.000 1.409 510 I HN 0.491 nan 8.210 nan 0.000 0.494 511 M N 5.227 124.565 119.600 -0.436 0.000 2.761 511 M HA 0.518 4.995 4.480 -0.005 0.000 0.305 511 M C 0.099 176.161 176.300 -0.396 0.000 1.235 511 M CA -0.594 54.416 55.300 -0.484 0.000 0.850 511 M CB 2.361 34.516 32.600 -0.741 0.000 1.744 511 M HN 0.597 nan 8.290 nan 0.000 0.480 512 T N -2.030 112.474 114.554 -0.083 0.000 2.876 512 T HA 0.553 4.900 4.350 -0.005 0.000 0.289 512 T C -0.458 174.380 174.700 0.230 0.000 1.014 512 T CA -0.800 61.356 62.100 0.094 0.000 0.986 512 T CB 1.790 70.668 68.868 0.016 0.000 1.021 512 T HN 0.696 nan 8.240 nan 0.000 0.458 513 K N 0.668 121.198 120.400 0.217 0.000 3.372 513 K HA -0.137 4.180 4.320 -0.005 0.000 0.272 513 K C -0.295 176.341 176.600 0.060 0.000 1.037 513 K CA -0.156 56.191 56.287 0.101 0.000 0.777 513 K CB -1.508 31.023 32.500 0.052 0.000 1.347 513 K HN 0.656 nan 8.250 nan 0.000 0.460 514 L N 1.879 123.062 121.223 -0.066 0.000 2.559 514 L HA -0.014 4.322 4.340 -0.005 0.000 0.274 514 L C 0.795 177.586 176.870 -0.132 0.000 1.205 514 L CA 0.831 55.506 54.840 -0.275 0.000 0.907 514 L CB 0.085 41.675 42.059 -0.782 0.000 1.153 514 L HN 0.401 nan 8.230 nan 0.000 0.490 515 R N 2.751 123.216 120.500 -0.057 0.000 3.525 515 R HA -0.286 4.051 4.340 -0.005 0.000 0.276 515 R C 1.252 177.594 176.300 0.070 0.000 1.116 515 R CA 0.732 56.855 56.100 0.039 0.000 0.745 515 R CB -2.518 27.837 30.300 0.091 0.000 1.185 515 R HN 0.902 nan 8.270 nan 0.000 0.454 516 A N 0.902 123.751 122.820 0.048 0.000 1.870 516 A HA -0.311 4.006 4.320 -0.005 0.000 0.219 516 A C 2.111 179.746 177.584 0.085 0.000 1.224 516 A CA 1.962 54.034 52.037 0.059 0.000 0.650 516 A CB -0.397 18.630 19.000 0.045 0.000 0.836 516 A HN 0.576 nan 8.150 nan 0.000 0.454 517 Q N -1.452 118.397 119.800 0.081 0.000 2.062 517 Q HA -0.315 4.022 4.340 -0.005 0.000 0.209 517 Q C 2.408 178.517 176.000 0.181 0.000 0.996 517 Q CA 2.277 58.145 55.803 0.109 0.000 0.859 517 Q CB -0.199 28.570 28.738 0.052 0.000 0.920 517 Q HN 0.795 nan 8.270 nan 0.000 0.415 518 Q N -0.762 119.153 119.800 0.192 0.000 2.084 518 Q HA -0.135 4.202 4.340 -0.005 0.000 0.202 518 Q C 2.112 178.320 176.000 0.346 0.000 0.978 518 Q CA 1.609 57.566 55.803 0.257 0.000 0.844 518 Q CB -0.235 28.720 28.738 0.361 0.000 0.898 518 Q HN 0.393 nan 8.270 nan 0.000 0.426 519 c N -0.292 118.488 118.600 0.299 0.000 2.464 519 c HA 0.070 4.637 4.570 -0.005 0.000 0.278 519 c C 2.387 176.609 174.090 0.220 0.000 1.375 519 c CA -0.094 56.426 56.329 0.317 0.000 1.761 519 c CB -0.636 42.005 42.510 0.218 0.000 1.944 519 c HN 0.454 nan 8.230 nan 0.000 0.509 520 R N 0.112 120.701 120.500 0.147 0.000 2.103 520 R HA -0.177 4.160 4.340 -0.005 0.000 0.242 520 R C 2.003 178.349 176.300 0.078 0.000 1.142 520 R CA 1.818 57.981 56.100 0.106 0.000 0.960 520 R CB -0.484 29.869 30.300 0.089 0.000 0.858 520 R HN 0.594 nan 8.270 nan 0.000 0.439 521 F N -0.285 119.543 119.950 -0.205 0.000 2.051 521 F HA -0.227 4.297 4.527 -0.006 0.000 0.296 521 F C 1.579 177.249 175.800 -0.216 0.000 1.122 521 F CA 1.611 59.338 58.000 -0.455 0.000 1.201 521 F CB -0.498 37.809 39.000 -1.156 0.000 0.978 521 F HN 0.016 nan 8.300 nan 0.000 0.472 522 W N -0.122 121.190 121.300 0.020 0.000 2.402 522 W HA -0.090 4.566 4.660 -0.006 0.000 0.286 522 W C 2.499 179.070 176.519 0.086 0.000 1.221 522 W CA 1.435 58.795 57.345 0.025 0.000 1.257 522 W CB -0.903 28.680 29.460 0.205 0.000 1.120 522 W HN -0.128 nan 8.180 nan 0.000 0.551 523 T N -1.396 113.326 114.554 0.279 0.000 3.035 523 T HA -0.028 4.319 4.350 -0.005 0.000 0.259 523 T C 1.581 176.362 174.700 0.134 0.000 1.078 523 T CA 1.465 63.686 62.100 0.201 0.000 1.132 523 T CB -0.024 68.946 68.868 0.170 0.000 0.900 523 T HN -0.027 nan 8.240 nan 0.000 0.480 524 S N -0.309 115.452 115.700 0.103 0.000 2.593 524 S HA 0.293 4.759 4.470 -0.005 0.000 0.235 524 S C 1.092 175.723 174.600 0.052 0.000 1.059 524 S CA -0.514 57.730 58.200 0.072 0.000 0.953 524 S CB 0.112 63.355 63.200 0.072 0.000 0.897 524 S HN 0.435 nan 8.310 nan 0.000 0.507 525 F N 1.247 121.114 119.950 -0.138 0.000 2.274 525 F HA 0.376 4.900 4.527 -0.006 0.000 0.288 525 F C 1.536 177.218 175.800 -0.196 0.000 1.069 525 F CA 0.236 58.123 58.000 -0.188 0.000 1.343 525 F CB -0.323 38.499 39.000 -0.298 0.000 1.089 525 F HN 0.174 nan 8.300 nan 0.000 0.517 526 F N 2.038 121.950 119.950 -0.063 0.000 2.206 526 F HA 0.130 4.654 4.527 -0.006 0.000 0.298 526 F C -0.859 174.961 175.800 0.033 0.000 1.090 526 F CA 0.536 58.504 58.000 -0.053 0.000 1.323 526 F CB -1.734 37.133 39.000 -0.221 0.000 1.028 526 F HN -0.089 nan 8.300 nan 0.000 0.492 527 P HA -0.219 nan 4.420 nan 0.000 0.219 527 P C 0.744 177.981 177.300 -0.105 0.000 1.144 527 P CA 1.854 64.966 63.100 0.019 0.000 0.806 527 P CB -0.169 31.569 31.700 0.064 0.000 0.771 528 K N -1.030 119.260 120.400 -0.183 0.000 2.426 528 K HA 0.078 4.394 4.320 -0.005 0.000 0.193 528 K C 1.097 177.579 176.600 -0.196 0.000 1.028 528 K CA 0.132 56.301 56.287 -0.197 0.000 1.047 528 K CB -0.093 32.251 32.500 -0.261 0.000 0.821 528 K HN 0.154 nan 8.250 nan 0.000 0.513 529 V N 0.000 119.759 119.914 -0.259 0.000 2.409 529 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 529 V CA 0.000 62.192 62.300 -0.180 0.000 1.235 529 V CB 0.000 31.668 31.823 -0.259 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556