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 2nx9_1_B DATA FIRST_RESID 2 DATA SEQUENCE TQAIKRVGVT DVVLRDAHQS LFATRLRIDD MLPIAQQLDQ IGYWSLECWG DATA SEQUENCE GATFDSCIRF LGEDPWQRLR LLKQAMPNTP LQMLLRGQNL LGYRHYADDV DATA SEQUENCE VDTFVERAVK NGMDVFRVFD AMNDVRNMQQ ALQAVKKMGA HAQGTLCYTT DATA SEQUENCE SPVHNLQTWV DVAQQLAELG VDSIALKDMA GILTPYAAEE LVSTLKKQVD DATA SEQUENCE VELHLHCHST AGLADMTLLK AIEAGVDRVD TAISSMSGTY GHPATESLVA DATA SEQUENCE TLQGTGYDTG LDIAKLEQIA AYFRDVRKKY HAFEGMMKGS DARILVAQVP DATA SEQUENCE GGMLTNMESQ LKQQNALDKL DLVLEEIPRV REELGFLPLV TPTSQIVGTQ DATA SEQUENCE AVINVVLGER YKTITKETSG VLKGEYGKTP APVNTELQAR VLAGAEAITC DATA SEQUENCE RPADLIAAEM PTLQDRVLQQ AKEQHITLAE NAIDDVLTIA LFDQVGWKFL DATA SEQUENCE ANR 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.717 174.700 0.028 0.000 1.109 2 T CA 0.000 62.116 62.100 0.027 0.000 1.349 2 T CB 0.000 68.887 68.868 0.031 0.000 0.612 3 Q N 1.547 121.368 119.800 0.034 0.000 2.352 3 Q HA 0.631 4.972 4.340 0.001 0.000 0.260 3 Q C 0.225 176.249 176.000 0.039 0.000 0.976 3 Q CA -0.027 55.796 55.803 0.034 0.000 0.881 3 Q CB 0.594 29.353 28.738 0.035 0.000 1.235 3 Q HN 1.017 nan 8.270 nan 0.000 0.419 4 A N 4.451 127.287 122.820 0.028 0.000 2.531 4 A HA 0.179 4.499 4.320 0.001 0.000 0.236 4 A C -0.262 177.339 177.584 0.029 0.000 1.062 4 A CA -0.054 51.995 52.037 0.019 0.000 0.760 4 A CB -0.155 18.851 19.000 0.011 0.000 0.995 4 A HN 0.815 nan 8.150 nan 0.000 0.501 5 I N 2.395 122.962 120.570 -0.006 0.000 2.416 5 I HA 0.347 4.518 4.170 0.001 0.000 0.288 5 I C 0.541 176.622 176.117 -0.060 0.000 1.051 5 I CA 0.286 61.556 61.300 -0.051 0.000 1.375 5 I CB 0.747 38.615 38.000 -0.219 0.000 1.407 5 I HN 0.862 nan 8.210 nan 0.000 0.516 6 K N 5.293 125.693 120.400 -0.001 0.000 2.578 6 K HA 0.438 4.758 4.320 0.001 0.000 0.287 6 K C -0.730 175.907 176.600 0.062 0.000 1.010 6 K CA -1.192 55.096 56.287 0.003 0.000 0.889 6 K CB 0.974 33.483 32.500 0.015 0.000 1.514 6 K HN 0.363 nan 8.250 nan 0.000 0.424 7 R N 1.543 122.064 120.500 0.035 0.000 2.494 7 R HA 0.010 4.350 4.340 0.001 0.000 0.291 7 R C -0.689 175.642 176.300 0.052 0.000 0.953 7 R CA -0.162 55.969 56.100 0.052 0.000 1.098 7 R CB 0.176 30.495 30.300 0.031 0.000 0.911 7 R HN 0.424 nan 8.270 nan 0.000 0.407 8 V N 4.963 124.914 119.914 0.063 0.000 2.555 8 V HA 0.211 4.331 4.120 0.001 0.000 0.286 8 V C 1.197 177.270 176.094 -0.034 0.000 1.044 8 V CA 0.212 62.506 62.300 -0.009 0.000 1.026 8 V CB 1.242 33.050 31.823 -0.024 0.000 0.981 8 V HN 0.949 nan 8.190 nan 0.000 0.480 9 G N 3.828 112.562 108.800 -0.111 0.000 2.415 9 G HA2 0.499 4.460 3.960 0.001 0.000 0.269 9 G HA3 0.499 4.460 3.960 0.001 0.000 0.269 9 G C -0.748 174.104 174.900 -0.079 0.000 1.209 9 G CA -0.287 44.762 45.100 -0.085 0.000 0.835 9 G HN 0.591 nan 8.290 nan 0.000 0.534 10 V N 1.377 121.350 119.914 0.099 0.000 2.448 10 V HA 0.447 4.568 4.120 0.001 0.000 0.295 10 V C 0.095 176.371 176.094 0.304 0.000 1.025 10 V CA -0.670 61.724 62.300 0.157 0.000 0.859 10 V CB 1.812 33.752 31.823 0.196 0.000 0.988 10 V HN 0.753 nan 8.190 nan 0.000 0.431 11 T N 3.608 118.290 114.554 0.214 0.000 2.758 11 T HA 0.253 4.604 4.350 0.001 0.000 0.285 11 T C -0.437 174.231 174.700 -0.052 0.000 0.981 11 T CA -0.251 61.954 62.100 0.175 0.000 0.965 11 T CB 0.829 69.883 68.868 0.310 0.000 0.927 11 T HN 0.680 nan 8.240 nan 0.000 0.448 12 D N 2.830 123.002 120.400 -0.380 0.000 2.277 12 D HA 0.169 4.809 4.640 0.001 0.000 0.249 12 D C 1.014 177.100 176.300 -0.357 0.000 1.134 12 D CA -0.300 53.414 54.000 -0.476 0.000 0.863 12 D CB 1.433 41.662 40.800 -0.952 0.000 1.143 12 D HN 0.410 nan 8.370 nan 0.000 0.458 13 V N 2.362 122.087 119.914 -0.315 0.000 3.249 13 V HA 0.067 4.188 4.120 0.001 0.000 0.338 13 V C 1.658 177.604 176.094 -0.248 0.000 1.363 13 V CA -0.323 61.804 62.300 -0.289 0.000 1.205 13 V CB 0.034 31.620 31.823 -0.395 0.000 1.164 13 V HN 0.380 nan 8.190 nan 0.000 0.458 14 V N 1.054 120.811 119.914 -0.261 0.000 2.594 14 V HA -0.102 4.018 4.120 0.001 0.000 0.253 14 V C 1.870 177.883 176.094 -0.136 0.000 1.069 14 V CA 2.263 64.394 62.300 -0.283 0.000 1.082 14 V CB -0.092 31.437 31.823 -0.491 0.000 0.680 14 V HN 0.677 nan 8.190 nan 0.000 0.469 15 L N -0.555 120.631 121.223 -0.062 0.000 2.611 15 L HA 0.251 4.591 4.340 0.001 0.000 0.229 15 L C 2.142 179.127 176.870 0.192 0.000 1.137 15 L CA 0.193 55.085 54.840 0.086 0.000 0.901 15 L CB -0.217 41.875 42.059 0.056 0.000 1.098 15 L HN 0.254 nan 8.230 nan 0.000 0.456 16 R N -0.497 120.006 120.500 0.006 0.000 5.072 16 R HA 0.025 4.366 4.340 0.001 0.000 0.116 16 R C 0.964 177.033 176.300 -0.386 0.000 1.152 16 R CA 0.399 56.404 56.100 -0.160 0.000 0.887 16 R CB -0.359 29.891 30.300 -0.084 0.000 1.367 16 R HN -0.059 nan 8.270 nan 0.000 0.403 17 D N 1.244 121.528 120.400 -0.193 0.000 2.224 17 D HA 0.096 4.737 4.640 0.001 0.000 0.205 17 D C 1.526 177.834 176.300 0.014 0.000 0.965 17 D CA 1.215 55.182 54.000 -0.055 0.000 0.852 17 D CB 0.192 41.075 40.800 0.139 0.000 0.947 17 D HN 0.374 nan 8.370 nan 0.000 0.494 18 A N 0.672 123.451 122.820 -0.067 0.000 1.865 18 A HA -0.208 4.112 4.320 0.001 0.000 0.217 18 A C 2.077 179.560 177.584 -0.168 0.000 1.191 18 A CA 1.939 53.976 52.037 -0.000 0.000 0.623 18 A CB -1.107 17.854 19.000 -0.064 0.000 0.826 18 A HN 0.578 nan 8.150 nan 0.000 0.444 19 H N -1.165 117.671 119.070 -0.390 0.000 2.535 19 H HA 0.028 4.584 4.556 0.000 0.000 0.273 19 H C 1.880 176.834 175.328 -0.623 0.000 0.983 19 H CA 1.125 56.638 56.048 -0.893 0.000 1.238 19 H CB -0.448 28.553 29.762 -1.268 0.000 1.412 19 H HN 0.673 nan 8.280 nan 0.000 0.562 20 Q N 1.413 120.738 119.800 -0.791 0.000 2.124 20 Q HA -0.105 4.235 4.340 0.001 0.000 0.202 20 Q C 1.755 177.605 176.000 -0.250 0.000 0.977 20 Q CA 1.863 57.398 55.803 -0.446 0.000 0.850 20 Q CB 0.217 28.747 28.738 -0.346 0.000 0.901 20 Q HN 0.382 nan 8.270 nan 0.000 0.429 21 S N -0.175 115.422 115.700 -0.172 0.000 2.446 21 S HA 0.073 4.544 4.470 0.001 0.000 0.225 21 S C 1.646 176.203 174.600 -0.071 0.000 1.016 21 S CA 0.522 58.682 58.200 -0.066 0.000 0.943 21 S CB 0.191 63.425 63.200 0.058 0.000 0.786 21 S HN 0.345 nan 8.310 nan 0.000 0.508 22 L N -0.362 120.812 121.223 -0.083 0.000 2.500 22 L HA 0.321 4.662 4.340 0.001 0.000 0.219 22 L C -0.112 176.889 176.870 0.219 0.000 1.057 22 L CA 0.381 55.280 54.840 0.097 0.000 0.854 22 L CB 0.313 42.488 42.059 0.193 0.000 1.078 22 L HN 0.381 nan 8.230 nan 0.000 0.480 23 F N -1.884 118.103 119.950 0.061 0.000 2.627 23 F HA 0.727 5.254 4.527 0.001 0.000 0.344 23 F C 0.557 176.363 175.800 0.011 0.000 1.505 23 F CA -0.940 57.124 58.000 0.107 0.000 1.111 23 F CB -0.313 38.823 39.000 0.228 0.000 1.585 23 F HN -0.054 nan 8.300 nan 0.000 0.582 24 A N 0.037 122.841 122.820 -0.028 0.000 2.798 24 A HA -0.237 4.083 4.320 0.001 0.000 0.282 24 A C 1.167 178.644 177.584 -0.178 0.000 1.464 24 A CA 1.293 53.255 52.037 -0.126 0.000 0.844 24 A CB -2.780 16.124 19.000 -0.161 0.000 1.006 24 A HN 1.616 nan 8.150 nan 0.000 0.577 25 T N -2.287 112.156 114.554 -0.184 0.000 4.252 25 T HA -0.239 4.111 4.350 0.001 0.000 0.331 25 T C 0.669 175.390 174.700 0.036 0.000 0.771 25 T CA 1.448 63.487 62.100 -0.102 0.000 1.939 25 T CB -1.105 67.691 68.868 -0.121 0.000 1.907 25 T HN 0.884 nan 8.240 nan 0.000 0.892 26 R N -0.489 119.997 120.500 -0.023 0.000 2.317 26 R HA 0.301 4.641 4.340 0.001 0.000 0.208 26 R C 0.862 177.169 176.300 0.011 0.000 0.914 26 R CA -0.314 55.765 56.100 -0.034 0.000 1.060 26 R CB -0.255 29.913 30.300 -0.219 0.000 1.015 26 R HN 0.486 nan 8.270 nan 0.000 0.498 27 L N 2.753 123.805 121.223 -0.285 0.000 2.584 27 L HA -0.025 4.315 4.340 0.001 0.000 0.272 27 L C 0.295 177.097 176.870 -0.114 0.000 1.195 27 L CA 0.547 55.122 54.840 -0.442 0.000 0.920 27 L CB 0.231 41.724 42.059 -0.943 0.000 1.173 27 L HN -0.022 nan 8.230 nan 0.000 0.489 28 R N 4.014 124.591 120.500 0.129 0.000 2.560 28 R HA 0.133 4.473 4.340 0.001 0.000 0.270 28 R C 1.118 177.476 176.300 0.097 0.000 1.074 28 R CA -0.856 55.325 56.100 0.135 0.000 1.140 28 R CB 0.608 31.026 30.300 0.196 0.000 1.073 28 R HN 0.638 nan 8.270 nan 0.000 0.527 29 I N 1.966 122.583 120.570 0.077 0.000 2.335 29 I HA -0.250 3.920 4.170 0.001 0.000 0.251 29 I C 0.739 176.903 176.117 0.078 0.000 1.129 29 I CA 1.755 63.096 61.300 0.068 0.000 1.402 29 I CB -0.370 37.663 38.000 0.055 0.000 1.069 29 I HN 0.621 nan 8.210 nan 0.000 0.424 30 D N -0.402 120.052 120.400 0.089 0.000 2.269 30 D HA -0.123 4.517 4.640 0.001 0.000 0.208 30 D C 1.481 177.845 176.300 0.107 0.000 0.963 30 D CA 0.845 54.895 54.000 0.083 0.000 0.864 30 D CB -0.139 40.707 40.800 0.077 0.000 0.936 30 D HN 0.337 nan 8.370 nan 0.000 0.505 31 D N -0.568 119.917 120.400 0.141 0.000 2.354 31 D HA 0.104 4.745 4.640 0.001 0.000 0.209 31 D C 1.713 178.129 176.300 0.194 0.000 1.015 31 D CA 0.348 54.458 54.000 0.183 0.000 0.867 31 D CB 0.244 41.184 40.800 0.234 0.000 0.933 31 D HN 0.271 nan 8.370 nan 0.000 0.520 32 M N -0.388 119.296 119.600 0.139 0.000 2.299 32 M HA 0.068 4.548 4.480 0.001 0.000 0.264 32 M C 2.123 178.447 176.300 0.039 0.000 1.095 32 M CA 0.590 55.965 55.300 0.125 0.000 1.165 32 M CB 0.088 32.755 32.600 0.110 0.000 1.349 32 M HN -0.082 nan 8.290 nan 0.000 0.446 33 L N 0.274 121.515 121.223 0.030 0.000 2.131 33 L HA -0.142 4.199 4.340 0.001 0.000 0.210 33 L C -0.569 176.271 176.870 -0.050 0.000 1.092 33 L CA 1.098 55.936 54.840 -0.003 0.000 0.759 33 L CB -1.854 40.212 42.059 0.011 0.000 0.903 33 L HN 0.212 nan 8.230 nan 0.000 0.435 34 P HA -0.073 nan 4.420 nan 0.000 0.237 34 P C 1.234 178.335 177.300 -0.332 0.000 1.178 34 P CA 0.918 63.945 63.100 -0.122 0.000 0.766 34 P CB 0.196 31.891 31.700 -0.010 0.000 0.876 35 I N -1.648 118.633 120.570 -0.481 0.000 4.018 35 I HA 0.275 4.445 4.170 0.001 0.000 0.337 35 I C 1.816 177.816 176.117 -0.195 0.000 1.327 35 I CA -0.122 60.848 61.300 -0.550 0.000 1.100 35 I CB -0.341 37.050 38.000 -1.016 0.000 1.025 35 I HN -0.202 nan 8.210 nan 0.000 0.396 36 A N -0.159 122.592 122.820 -0.115 0.000 1.902 36 A HA -0.252 4.068 4.320 0.001 0.000 0.217 36 A C 2.245 179.817 177.584 -0.020 0.000 1.181 36 A CA 1.917 53.935 52.037 -0.033 0.000 0.623 36 A CB -0.570 18.418 19.000 -0.021 0.000 0.818 36 A HN 0.553 nan 8.150 nan 0.000 0.443 37 Q N -0.772 119.005 119.800 -0.038 0.000 2.084 37 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 37 Q C 2.289 178.281 176.000 -0.013 0.000 0.978 37 Q CA 1.681 57.470 55.803 -0.023 0.000 0.844 37 Q CB -0.147 28.573 28.738 -0.030 0.000 0.898 37 Q HN 0.795 nan 8.270 nan 0.000 0.426 38 Q N 0.024 119.808 119.800 -0.026 0.000 2.096 38 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 38 Q C 2.212 178.237 176.000 0.043 0.000 0.982 38 Q CA 1.408 57.208 55.803 -0.006 0.000 0.850 38 Q CB -0.113 28.609 28.738 -0.026 0.000 0.901 38 Q HN 0.411 nan 8.270 nan 0.000 0.422 39 L N 0.421 121.691 121.223 0.077 0.000 2.046 39 L HA -0.220 4.120 4.340 0.001 0.000 0.208 39 L C 2.094 179.066 176.870 0.170 0.000 1.077 39 L CA 1.177 56.124 54.840 0.179 0.000 0.747 39 L CB -0.344 41.816 42.059 0.168 0.000 0.896 39 L HN 0.218 nan 8.230 nan 0.000 0.432 40 D N -0.798 119.654 120.400 0.086 0.000 2.263 40 D HA -0.170 4.471 4.640 0.001 0.000 0.208 40 D C 2.070 178.389 176.300 0.032 0.000 0.971 40 D CA 0.824 54.859 54.000 0.058 0.000 0.867 40 D CB 0.181 40.994 40.800 0.020 0.000 0.929 40 D HN 0.173 nan 8.370 nan 0.000 0.492 41 Q N -0.357 119.453 119.800 0.016 0.000 2.403 41 Q HA 0.054 4.394 4.340 0.001 0.000 0.203 41 Q C 1.746 177.721 176.000 -0.043 0.000 0.932 41 Q CA -0.039 55.757 55.803 -0.011 0.000 0.945 41 Q CB 0.396 29.127 28.738 -0.013 0.000 1.045 41 Q HN 0.405 nan 8.270 nan 0.000 0.511 42 I N -0.207 120.321 120.570 -0.070 0.000 2.252 42 I HA -0.089 4.082 4.170 0.001 0.000 0.245 42 I C 1.297 177.273 176.117 -0.235 0.000 1.102 42 I CA 1.614 62.781 61.300 -0.221 0.000 1.385 42 I CB -0.946 36.734 38.000 -0.533 0.000 1.064 42 I HN 0.333 nan 8.210 nan 0.000 0.414 43 G N -0.236 108.475 108.800 -0.149 0.000 2.164 43 G HA2 -0.261 3.700 3.960 0.001 0.000 0.212 43 G HA3 -0.261 3.700 3.960 0.001 0.000 0.212 43 G C -0.039 174.826 174.900 -0.057 0.000 1.031 43 G CA -0.444 44.606 45.100 -0.083 0.000 0.730 43 G HN 0.194 nan 8.290 nan 0.000 0.501 44 Y N -1.259 119.062 120.300 0.034 0.000 2.578 44 Y HA 0.312 4.862 4.550 0.000 0.000 0.339 44 Y C 1.529 177.482 175.900 0.089 0.000 1.231 44 Y CA 0.258 58.400 58.100 0.070 0.000 1.461 44 Y CB 0.416 38.906 38.460 0.050 0.000 1.323 44 Y HN 0.302 nan 8.280 nan 0.000 0.590 45 W N 1.886 123.285 121.300 0.165 0.000 2.402 45 W HA -0.014 4.646 4.660 0.000 0.000 0.286 45 W C 0.083 176.638 176.519 0.060 0.000 1.221 45 W CA 1.574 58.965 57.345 0.076 0.000 1.257 45 W CB 0.205 29.687 29.460 0.037 0.000 1.120 45 W HN 0.496 nan 8.180 nan 0.000 0.551 46 S N -1.474 114.343 115.700 0.194 0.000 2.595 46 S HA 0.497 4.967 4.470 0.001 0.000 0.270 46 S C -1.416 173.183 174.600 -0.003 0.000 1.145 46 S CA -1.090 57.096 58.200 -0.023 0.000 0.825 46 S CB 1.285 64.466 63.200 -0.031 0.000 1.107 46 S HN -0.035 nan 8.310 nan 0.000 0.461 47 L N 1.522 122.695 121.223 -0.084 0.000 2.319 47 L HA 0.530 4.870 4.340 0.001 0.000 0.281 47 L C 0.076 176.884 176.870 -0.104 0.000 1.005 47 L CA -0.374 54.375 54.840 -0.152 0.000 0.828 47 L CB 1.677 43.650 42.059 -0.142 0.000 1.227 47 L HN 0.825 nan 8.230 nan 0.000 0.415 48 E N 2.926 123.061 120.200 -0.108 0.000 2.220 48 E HA 0.095 4.446 4.350 0.001 0.000 0.272 48 E C 0.095 176.667 176.600 -0.045 0.000 1.099 48 E CA -0.141 56.214 56.400 -0.074 0.000 0.907 48 E CB 0.595 30.237 29.700 -0.097 0.000 1.022 48 E HN 0.849 nan 8.360 nan 0.000 0.428 49 C N 3.445 122.755 119.300 0.015 0.000 3.722 49 C HA 0.507 4.967 4.460 0.001 0.000 0.279 49 C C -0.547 174.573 174.990 0.218 0.000 1.819 49 C CA -0.968 58.094 59.018 0.073 0.000 1.744 49 C CB -1.221 26.537 27.740 0.030 0.000 3.247 49 C HN 0.744 nan 8.230 nan 0.000 0.549 50 W N 0.373 121.627 121.300 -0.077 0.000 2.989 50 W HA 0.585 5.245 4.660 0.000 0.000 0.344 50 W C 0.499 176.996 176.519 -0.037 0.000 1.233 50 W CA 1.114 58.420 57.345 -0.066 0.000 1.187 50 W CB 0.686 30.090 29.460 -0.094 0.000 1.443 50 W HN 1.080 nan 8.180 nan 0.000 0.573 51 G N 1.257 109.854 108.800 -0.339 0.000 2.645 51 G HA2 0.366 4.326 3.960 0.001 0.000 0.239 51 G HA3 0.366 4.326 3.960 0.001 0.000 0.239 51 G C 0.746 175.554 174.900 -0.154 0.000 1.331 51 G CA 1.144 46.096 45.100 -0.245 0.000 0.890 51 G HN 2.352 nan 8.290 nan 0.000 0.572 52 G N -1.161 107.595 108.800 -0.073 0.000 2.596 52 G HA2 0.159 4.120 3.960 0.001 0.000 0.295 52 G HA3 0.159 4.120 3.960 0.001 0.000 0.295 52 G C 1.487 176.356 174.900 -0.052 0.000 1.240 52 G CA 2.568 47.639 45.100 -0.048 0.000 0.985 52 G HN 2.589 nan 8.290 nan 0.000 0.555 53 A N -0.441 122.346 122.820 -0.056 0.000 2.275 53 A HA 0.459 4.779 4.320 0.001 0.000 0.212 53 A C 2.360 179.916 177.584 -0.047 0.000 1.201 53 A CA 1.936 53.961 52.037 -0.021 0.000 0.843 53 A CB -0.624 18.367 19.000 -0.016 0.000 0.873 53 A HN 1.941 nan 8.150 nan 0.000 0.492 54 T N -2.761 111.731 114.554 -0.104 0.000 2.746 54 T HA -0.199 4.151 4.350 0.001 0.000 0.267 54 T C 1.652 176.242 174.700 -0.182 0.000 1.039 54 T CA 1.496 63.524 62.100 -0.121 0.000 1.142 54 T CB -0.563 68.229 68.868 -0.126 0.000 0.866 54 T HN 0.245 nan 8.240 nan 0.000 0.444 55 F N 2.953 122.660 119.950 -0.405 0.000 2.046 55 F HA -0.113 4.415 4.527 0.001 0.000 0.297 55 F C 2.365 177.844 175.800 -0.535 0.000 1.123 55 F CA 1.832 59.541 58.000 -0.485 0.000 1.199 55 F CB -0.702 38.035 39.000 -0.438 0.000 0.972 55 F HN 0.189 nan 8.300 nan 0.000 0.474 56 D N -0.746 119.568 120.400 -0.144 0.000 2.127 56 D HA -0.258 4.382 4.640 0.001 0.000 0.190 56 D C 2.384 178.506 176.300 -0.296 0.000 1.000 56 D CA 1.985 55.754 54.000 -0.384 0.000 0.839 56 D CB -0.442 40.372 40.800 0.023 0.000 0.955 56 D HN 0.367 nan 8.370 nan 0.000 0.446 57 S N -0.730 114.899 115.700 -0.117 0.000 2.370 57 S HA -0.178 4.293 4.470 0.001 0.000 0.226 57 S C 2.466 177.008 174.600 -0.098 0.000 1.033 57 S CA 1.564 59.764 58.200 0.000 0.000 1.011 57 S CB -0.701 62.531 63.200 0.053 0.000 0.852 57 S HN 0.505 nan 8.310 nan 0.000 0.457 58 C N 1.718 120.890 119.300 -0.214 0.000 2.393 58 C HA -0.121 4.339 4.460 0.001 0.000 0.276 58 C C 2.507 177.240 174.990 -0.428 0.000 1.215 58 C CA 1.252 60.092 59.018 -0.296 0.000 1.743 58 C CB -1.545 25.939 27.740 -0.427 0.000 2.044 58 C HN 0.848 nan 8.230 nan 0.000 0.464 59 I N -1.352 118.853 120.570 -0.609 0.000 2.852 59 I HA 0.048 4.218 4.170 0.001 0.000 0.264 59 I C 2.490 178.377 176.117 -0.384 0.000 1.179 59 I CA 1.275 62.123 61.300 -0.753 0.000 1.480 59 I CB -0.615 36.885 38.000 -0.833 0.000 1.111 59 I HN 0.160 nan 8.210 nan 0.000 0.441 60 R N -0.197 120.053 120.500 -0.417 0.000 2.189 60 R HA 0.169 4.509 4.340 0.001 0.000 0.203 60 R C 1.178 177.090 176.300 -0.647 0.000 1.012 60 R CA 0.972 56.751 56.100 -0.535 0.000 1.015 60 R CB 0.207 30.079 30.300 -0.714 0.000 0.938 60 R HN 0.370 nan 8.270 nan 0.000 0.472 61 F N -1.889 118.019 119.950 -0.069 0.000 2.784 61 F HA 0.228 4.756 4.527 0.001 0.000 0.316 61 F C 1.238 177.035 175.800 -0.005 0.000 1.026 61 F CA -0.088 57.894 58.000 -0.030 0.000 1.188 61 F CB 0.485 39.449 39.000 -0.061 0.000 0.999 61 F HN -0.151 nan 8.300 nan 0.000 0.605 62 L N -0.774 120.527 121.223 0.130 0.000 2.638 62 L HA 0.394 4.735 4.340 0.001 0.000 0.232 62 L C 1.449 178.382 176.870 0.105 0.000 1.099 62 L CA 0.524 55.429 54.840 0.109 0.000 0.883 62 L CB -0.171 41.929 42.059 0.069 0.000 1.136 62 L HN 0.250 nan 8.230 nan 0.000 0.492 63 G N 1.478 110.348 108.800 0.118 0.000 2.305 63 G HA2 -0.267 3.693 3.960 0.001 0.000 0.287 63 G HA3 -0.267 3.693 3.960 0.001 0.000 0.287 63 G C -0.025 175.034 174.900 0.264 0.000 1.036 63 G CA 0.260 45.507 45.100 0.246 0.000 0.887 63 G HN 0.480 nan 8.290 nan 0.000 0.505 64 E N 0.031 120.281 120.200 0.083 0.000 2.191 64 E HA 0.272 4.622 4.350 0.001 0.000 0.274 64 E C -0.675 175.852 176.600 -0.121 0.000 0.948 64 E CA -0.849 55.579 56.400 0.047 0.000 0.802 64 E CB 1.434 31.121 29.700 -0.022 0.000 1.137 64 E HN 0.257 nan 8.360 nan 0.000 0.397 65 D N 4.214 124.692 120.400 0.130 0.000 2.325 65 D HA 0.045 4.685 4.640 0.001 0.000 0.251 65 D C -1.586 174.649 176.300 -0.108 0.000 1.196 65 D CA -1.930 52.117 54.000 0.079 0.000 0.866 65 D CB 1.223 42.222 40.800 0.333 0.000 1.101 65 D HN 0.137 nan 8.370 nan 0.000 0.476 66 P HA -0.153 nan 4.420 nan 0.000 0.215 66 P C 1.190 178.437 177.300 -0.088 0.000 1.153 66 P CA 1.160 63.980 63.100 -0.467 0.000 0.853 66 P CB -0.058 30.715 31.700 -1.544 0.000 0.788 67 W N 0.679 122.008 121.300 0.047 0.000 2.338 67 W HA -0.109 4.552 4.660 0.001 0.000 0.304 67 W C 2.901 179.394 176.519 -0.044 0.000 1.212 67 W CA 1.091 58.464 57.345 0.047 0.000 1.264 67 W CB -1.425 28.068 29.460 0.056 0.000 1.142 67 W HN 0.078 nan 8.180 nan 0.000 0.512 68 Q N 0.908 120.821 119.800 0.189 0.000 2.167 68 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 68 Q C 2.415 178.436 176.000 0.035 0.000 0.970 68 Q CA 1.480 57.343 55.803 0.100 0.000 0.855 68 Q CB -0.194 28.610 28.738 0.109 0.000 0.911 68 Q HN 0.301 nan 8.270 nan 0.000 0.438 69 R N 0.081 120.597 120.500 0.027 0.000 2.082 69 R HA -0.207 4.134 4.340 0.001 0.000 0.234 69 R C 2.318 178.582 176.300 -0.060 0.000 1.136 69 R CA 1.593 57.700 56.100 0.012 0.000 0.935 69 R CB -0.565 29.771 30.300 0.059 0.000 0.842 69 R HN 0.359 nan 8.270 nan 0.000 0.430 70 L N 1.685 122.796 121.223 -0.187 0.000 2.034 70 L HA -0.251 4.089 4.340 0.001 0.000 0.217 70 L C 2.270 179.004 176.870 -0.226 0.000 1.077 70 L CA 1.960 56.559 54.840 -0.402 0.000 0.769 70 L CB -0.558 40.979 42.059 -0.870 0.000 0.890 70 L HN 0.205 nan 8.230 nan 0.000 0.435 71 R N -0.981 119.438 120.500 -0.134 0.000 2.096 71 R HA -0.124 4.216 4.340 0.001 0.000 0.235 71 R C 2.294 178.559 176.300 -0.058 0.000 1.127 71 R CA 1.651 57.704 56.100 -0.079 0.000 0.968 71 R CB -0.522 29.758 30.300 -0.033 0.000 0.861 71 R HN 0.406 nan 8.270 nan 0.000 0.440 72 L N 0.448 121.646 121.223 -0.042 0.000 2.109 72 L HA -0.130 4.210 4.340 0.001 0.000 0.207 72 L C 2.346 179.197 176.870 -0.032 0.000 1.086 72 L CA 0.967 55.792 54.840 -0.024 0.000 0.760 72 L CB -0.310 41.747 42.059 -0.004 0.000 0.910 72 L HN 0.182 nan 8.230 nan 0.000 0.437 73 L N -0.254 120.939 121.223 -0.050 0.000 2.093 73 L HA -0.197 4.144 4.340 0.001 0.000 0.208 73 L C 2.643 179.475 176.870 -0.063 0.000 1.085 73 L CA 1.028 55.838 54.840 -0.050 0.000 0.755 73 L CB -0.299 41.723 42.059 -0.062 0.000 0.904 73 L HN 0.204 nan 8.230 nan 0.000 0.435 74 K N 0.420 120.768 120.400 -0.085 0.000 2.031 74 K HA -0.205 4.115 4.320 0.001 0.000 0.205 74 K C 2.105 178.672 176.600 -0.055 0.000 1.049 74 K CA 1.325 57.563 56.287 -0.082 0.000 0.939 74 K CB -0.197 32.243 32.500 -0.101 0.000 0.717 74 K HN 0.162 nan 8.250 nan 0.000 0.438 75 Q N -0.377 119.394 119.800 -0.047 0.000 2.096 75 Q HA -0.216 4.124 4.340 0.001 0.000 0.208 75 Q C 1.691 177.674 176.000 -0.028 0.000 0.993 75 Q CA 2.268 58.051 55.803 -0.033 0.000 0.862 75 Q CB -0.339 28.384 28.738 -0.026 0.000 0.915 75 Q HN 0.399 nan 8.270 nan 0.000 0.416 76 A N -0.187 122.617 122.820 -0.027 0.000 2.072 76 A HA 0.094 4.415 4.320 0.001 0.000 0.216 76 A C 0.975 178.546 177.584 -0.021 0.000 1.156 76 A CA 0.579 52.603 52.037 -0.022 0.000 0.701 76 A CB 0.161 19.150 19.000 -0.018 0.000 0.816 76 A HN 0.433 nan 8.150 nan 0.000 0.458 77 M N 0.532 120.116 119.600 -0.026 0.000 2.488 77 M HA 0.214 4.694 4.480 0.001 0.000 0.204 77 M C -2.121 174.161 176.300 -0.031 0.000 0.969 77 M CA -1.513 53.774 55.300 -0.022 0.000 0.720 77 M CB 1.617 34.207 32.600 -0.017 0.000 1.427 77 M HN 0.032 nan 8.290 nan 0.000 0.427 78 P HA -0.095 nan 4.420 nan 0.000 0.220 78 P C 0.422 177.702 177.300 -0.034 0.000 1.148 78 P CA 1.441 64.522 63.100 -0.032 0.000 0.803 78 P CB 0.185 31.870 31.700 -0.025 0.000 0.782 79 N N -1.042 117.641 118.700 -0.029 0.000 2.254 79 N HA 0.044 4.785 4.740 0.001 0.000 0.190 79 N C 0.066 175.552 175.510 -0.040 0.000 1.107 79 N CA 0.568 53.600 53.050 -0.031 0.000 0.869 79 N CB 0.426 38.900 38.487 -0.021 0.000 0.983 79 N HN 0.122 nan 8.380 nan 0.000 0.487 80 T N 2.544 117.074 114.554 -0.040 0.000 2.792 80 T HA 0.360 4.710 4.350 0.001 0.000 0.280 80 T C -2.650 171.990 174.700 -0.100 0.000 0.990 80 T CA -1.367 60.702 62.100 -0.053 0.000 0.960 80 T CB 2.427 71.303 68.868 0.013 0.000 0.939 80 T HN -0.127 nan 8.240 nan 0.000 0.439 81 P HA 0.108 nan 4.420 nan 0.000 0.262 81 P C -0.515 176.678 177.300 -0.178 0.000 1.182 81 P CA -0.016 62.955 63.100 -0.215 0.000 0.761 81 P CB 0.333 31.795 31.700 -0.398 0.000 0.795 82 L N 2.993 124.124 121.223 -0.153 0.000 2.357 82 L HA 0.489 4.830 4.340 0.001 0.000 0.273 82 L C 0.613 177.387 176.870 -0.161 0.000 1.080 82 L CA -0.420 54.335 54.840 -0.143 0.000 0.803 82 L CB 0.779 42.746 42.059 -0.152 0.000 1.174 82 L HN 0.398 nan 8.230 nan 0.000 0.443 83 Q N 3.081 122.806 119.800 -0.126 0.000 2.397 83 Q HA 0.698 5.038 4.340 0.001 0.000 0.275 83 Q C -1.240 174.713 176.000 -0.078 0.000 1.090 83 Q CA -0.760 54.975 55.803 -0.114 0.000 0.809 83 Q CB 2.761 31.470 28.738 -0.049 0.000 1.362 83 Q HN 0.684 nan 8.270 nan 0.000 0.431 84 M N 1.478 121.019 119.600 -0.099 0.000 2.631 84 M HA 0.603 5.083 4.480 0.001 0.000 0.288 84 M C -1.931 174.379 176.300 0.017 0.000 1.260 84 M CA -1.206 54.095 55.300 0.003 0.000 0.842 84 M CB 1.795 34.453 32.600 0.097 0.000 1.743 84 M HN 0.555 nan 8.290 nan 0.000 0.461 85 L N 2.644 123.889 121.223 0.036 0.000 2.282 85 L HA 0.750 5.090 4.340 0.001 0.000 0.288 85 L C -1.893 175.069 176.870 0.154 0.000 1.033 85 L CA -0.519 54.363 54.840 0.069 0.000 0.807 85 L CB 1.595 43.644 42.059 -0.018 0.000 1.209 85 L HN 0.797 nan 8.230 nan 0.000 0.423 86 L N 4.998 126.370 121.223 0.247 0.000 2.406 86 L HA 0.516 4.857 4.340 0.001 0.000 0.272 86 L C 0.122 177.028 176.870 0.061 0.000 0.980 86 L CA -0.294 54.643 54.840 0.162 0.000 0.831 86 L CB 1.566 43.767 42.059 0.237 0.000 1.253 86 L HN 0.698 nan 8.230 nan 0.000 0.406 87 R N 3.832 124.217 120.500 -0.193 0.000 4.464 87 R HA 0.374 4.715 4.340 0.001 0.000 0.229 87 R C 1.007 177.004 176.300 -0.505 0.000 1.916 87 R CA 0.831 56.516 56.100 -0.692 0.000 1.601 87 R CB -0.755 29.143 30.300 -0.670 0.000 1.315 87 R HN 1.020 nan 8.270 nan 0.000 0.725 88 G N 1.133 109.748 108.800 -0.308 0.000 2.622 88 G HA2 -0.484 3.476 3.960 0.001 0.000 0.307 88 G HA3 -0.484 3.476 3.960 0.001 0.000 0.307 88 G C 0.581 175.330 174.900 -0.251 0.000 1.226 88 G CA 0.607 45.571 45.100 -0.228 0.000 0.997 88 G HN 0.505 nan 8.290 nan 0.000 0.551 89 Q N 0.746 120.362 119.800 -0.307 0.000 2.291 89 Q HA 0.085 4.426 4.340 0.001 0.000 0.205 89 Q C 2.321 178.135 176.000 -0.311 0.000 0.970 89 Q CA 1.997 57.611 55.803 -0.314 0.000 0.876 89 Q CB -0.322 28.163 28.738 -0.422 0.000 0.935 89 Q HN 0.644 nan 8.270 nan 0.000 0.455 90 N N -0.521 117.951 118.700 -0.380 0.000 2.461 90 N HA 0.019 4.760 4.740 0.001 0.000 0.188 90 N C 0.480 175.840 175.510 -0.249 0.000 1.134 90 N CA 0.401 53.286 53.050 -0.275 0.000 0.878 90 N CB 0.268 38.563 38.487 -0.319 0.000 0.972 90 N HN 0.175 nan 8.380 nan 0.000 0.456 91 L N -0.222 120.786 121.223 -0.358 0.000 5.334 91 L HA -0.356 3.984 4.340 0.001 0.000 0.053 91 L C 0.945 177.517 176.870 -0.496 0.000 2.649 91 L CA 1.414 55.922 54.840 -0.553 0.000 1.695 91 L CB -0.897 40.608 42.059 -0.922 0.000 2.744 91 L HN 0.143 nan 8.230 nan 0.000 0.899 92 L N -0.147 120.690 121.223 -0.644 0.000 2.818 92 L HA 0.303 4.643 4.340 0.001 0.000 0.243 92 L C 0.913 177.489 176.870 -0.489 0.000 1.185 92 L CA 0.251 54.808 54.840 -0.472 0.000 0.988 92 L CB 0.102 41.848 42.059 -0.522 0.000 1.292 92 L HN 0.537 nan 8.230 nan 0.000 0.519 93 G N -0.785 107.750 108.800 -0.441 0.000 2.671 93 G HA2 0.186 4.146 3.960 0.001 0.000 0.275 93 G HA3 0.186 4.146 3.960 0.001 0.000 0.275 93 G C -0.043 174.768 174.900 -0.148 0.000 1.368 93 G CA -0.303 44.600 45.100 -0.328 0.000 1.044 93 G HN 0.231 nan 8.290 nan 0.000 0.543 94 Y N -1.183 119.009 120.300 -0.180 0.000 2.457 94 Y HA 0.480 5.030 4.550 0.000 0.000 0.263 94 Y C 0.825 176.617 175.900 -0.180 0.000 1.164 94 Y CA -0.604 57.397 58.100 -0.167 0.000 1.274 94 Y CB -0.108 38.258 38.460 -0.156 0.000 1.097 94 Y HN 0.569 nan 8.280 nan 0.000 0.523 95 R N -1.812 118.280 120.500 -0.680 0.000 2.741 95 R HA 0.323 4.663 4.340 0.001 0.000 0.274 95 R C -1.414 174.542 176.300 -0.573 0.000 1.029 95 R CA -0.903 54.822 56.100 -0.624 0.000 0.880 95 R CB 0.557 30.338 30.300 -0.864 0.000 1.264 95 R HN 0.135 nan 8.270 nan 0.000 0.465 96 H N 0.440 119.197 119.070 -0.522 0.000 2.886 96 H HA 0.103 4.660 4.556 0.001 0.000 0.329 96 H C -0.675 174.355 175.328 -0.496 0.000 1.044 96 H CA 0.676 56.498 56.048 -0.376 0.000 1.456 96 H CB 0.477 30.073 29.762 -0.277 0.000 1.464 96 H HN 0.295 nan 8.280 nan 0.000 0.573 97 Y N 0.136 120.322 120.300 -0.189 0.000 2.568 97 Y HA 0.388 4.938 4.550 0.001 0.000 0.327 97 Y C 0.491 176.332 175.900 -0.098 0.000 1.163 97 Y CA -0.946 57.055 58.100 -0.165 0.000 1.219 97 Y CB 1.063 39.403 38.460 -0.199 0.000 1.308 97 Y HN 0.658 nan 8.280 nan 0.000 0.503 98 A N 0.762 123.643 122.820 0.102 0.000 2.371 98 A HA 0.119 4.440 4.320 0.001 0.000 0.257 98 A C 0.807 178.418 177.584 0.046 0.000 1.089 98 A CA -0.416 51.651 52.037 0.049 0.000 0.794 98 A CB 0.021 19.044 19.000 0.038 0.000 1.029 98 A HN 0.902 nan 8.150 nan 0.000 0.488 99 D N 1.144 121.559 120.400 0.024 0.000 2.170 99 D HA -0.230 4.411 4.640 0.001 0.000 0.193 99 D C 1.465 177.778 176.300 0.020 0.000 1.004 99 D CA 2.118 56.127 54.000 0.015 0.000 0.860 99 D CB -0.136 40.669 40.800 0.008 0.000 0.931 99 D HN 0.808 nan 8.370 nan 0.000 0.448 100 D N 0.500 120.915 120.400 0.025 0.000 2.178 100 D HA -0.112 4.528 4.640 0.001 0.000 0.202 100 D C 2.093 178.414 176.300 0.036 0.000 0.974 100 D CA 0.567 54.583 54.000 0.026 0.000 0.841 100 D CB -0.641 40.173 40.800 0.024 0.000 0.953 100 D HN 0.176 nan 8.370 nan 0.000 0.478 101 V N 0.806 120.745 119.914 0.041 0.000 2.307 101 V HA -0.205 3.915 4.120 0.001 0.000 0.245 101 V C 2.955 179.073 176.094 0.040 0.000 1.045 101 V CA 1.235 63.556 62.300 0.034 0.000 1.024 101 V CB -0.490 31.348 31.823 0.026 0.000 0.651 101 V HN 0.103 nan 8.190 nan 0.000 0.449 102 V N 0.471 120.396 119.914 0.018 0.000 2.255 102 V HA -0.295 3.825 4.120 0.001 0.000 0.247 102 V C 2.337 178.479 176.094 0.081 0.000 1.051 102 V CA 2.400 64.713 62.300 0.021 0.000 1.018 102 V CB -0.774 31.040 31.823 -0.014 0.000 0.641 102 V HN 0.541 nan 8.190 nan 0.000 0.445 103 D N -0.293 120.136 120.400 0.048 0.000 2.123 103 D HA -0.141 4.499 4.640 0.001 0.000 0.196 103 D C 2.281 178.618 176.300 0.060 0.000 0.992 103 D CA 1.869 55.892 54.000 0.037 0.000 0.833 103 D CB -0.429 40.381 40.800 0.017 0.000 0.954 103 D HN 0.405 nan 8.370 nan 0.000 0.455 104 T N 0.068 114.668 114.554 0.077 0.000 2.812 104 T HA -0.091 4.259 4.350 0.001 0.000 0.264 104 T C 1.686 176.459 174.700 0.121 0.000 1.042 104 T CA 0.425 62.566 62.100 0.067 0.000 1.140 104 T CB -0.397 68.502 68.868 0.051 0.000 0.870 104 T HN 0.119 nan 8.240 nan 0.000 0.445 105 F N 1.865 121.853 119.950 0.064 0.000 2.095 105 F HA -0.154 4.373 4.527 0.000 0.000 0.298 105 F C 2.219 178.175 175.800 0.259 0.000 1.104 105 F CA 1.052 59.170 58.000 0.197 0.000 1.232 105 F CB -0.446 38.643 39.000 0.148 0.000 0.987 105 F HN -0.101 nan 8.300 nan 0.000 0.475 106 V N 0.499 120.603 119.914 0.317 0.000 2.343 106 V HA -0.310 3.811 4.120 0.001 0.000 0.247 106 V C 2.355 178.484 176.094 0.058 0.000 1.051 106 V CA 2.246 64.640 62.300 0.157 0.000 1.036 106 V CB -0.844 30.952 31.823 -0.046 0.000 0.654 106 V HN 0.472 nan 8.190 nan 0.000 0.451 107 E N 0.057 120.275 120.200 0.030 0.000 2.110 107 E HA -0.234 4.117 4.350 0.001 0.000 0.193 107 E C 2.453 179.052 176.600 -0.002 0.000 0.988 107 E CA 1.041 57.443 56.400 0.004 0.000 0.804 107 E CB 0.000 29.695 29.700 -0.009 0.000 0.745 107 E HN 0.402 nan 8.360 nan 0.000 0.458 108 R N 0.021 120.502 120.500 -0.033 0.000 2.090 108 R HA -0.010 4.331 4.340 0.001 0.000 0.228 108 R C 2.313 178.632 176.300 0.032 0.000 1.110 108 R CA 0.975 57.014 56.100 -0.102 0.000 0.973 108 R CB -0.576 29.531 30.300 -0.322 0.000 0.869 108 R HN 0.237 nan 8.270 nan 0.000 0.440 109 A N 0.766 123.655 122.820 0.114 0.000 1.908 109 A HA -0.129 4.191 4.320 0.001 0.000 0.218 109 A C 2.428 180.079 177.584 0.112 0.000 1.181 109 A CA 1.679 53.804 52.037 0.147 0.000 0.627 109 A CB -0.579 18.633 19.000 0.354 0.000 0.818 109 A HN 0.104 nan 8.150 nan 0.000 0.445 110 V N 0.253 120.286 119.914 0.199 0.000 2.358 110 V HA -0.185 3.935 4.120 0.001 0.000 0.246 110 V C 2.366 178.484 176.094 0.041 0.000 1.047 110 V CA 1.985 64.379 62.300 0.157 0.000 1.035 110 V CB -0.540 31.370 31.823 0.145 0.000 0.658 110 V HN 0.426 nan 8.190 nan 0.000 0.452 111 K N 0.296 120.704 120.400 0.013 0.000 2.288 111 K HA -0.035 4.286 4.320 0.001 0.000 0.201 111 K C 1.715 178.292 176.600 -0.038 0.000 1.048 111 K CA 0.657 56.933 56.287 -0.019 0.000 0.956 111 K CB -0.323 32.157 32.500 -0.035 0.000 0.746 111 K HN 0.469 nan 8.250 nan 0.000 0.461 112 N N -0.259 118.413 118.700 -0.046 0.000 2.415 112 N HA -0.043 4.697 4.740 0.001 0.000 0.176 112 N C 1.099 176.533 175.510 -0.126 0.000 1.042 112 N CA 1.151 54.156 53.050 -0.075 0.000 0.902 112 N CB 0.889 39.350 38.487 -0.042 0.000 0.986 112 N HN 0.381 nan 8.380 nan 0.000 0.447 113 G N 0.189 108.913 108.800 -0.126 0.000 2.456 113 G HA2 -0.129 3.832 3.960 0.001 0.000 0.208 113 G HA3 -0.129 3.832 3.960 0.001 0.000 0.208 113 G C -0.299 174.512 174.900 -0.149 0.000 1.004 113 G CA -0.466 44.559 45.100 -0.125 0.000 0.791 113 G HN 0.081 nan 8.290 nan 0.000 0.537 114 M N 2.008 121.515 119.600 -0.155 0.000 2.219 114 M HA 0.495 4.975 4.480 0.001 0.000 0.353 114 M C 0.665 176.950 176.300 -0.026 0.000 1.304 114 M CA -0.253 54.932 55.300 -0.192 0.000 1.115 114 M CB 0.662 33.075 32.600 -0.311 0.000 1.664 114 M HN 0.090 nan 8.290 nan 0.000 0.459 115 D N 2.728 123.077 120.400 -0.085 0.000 2.514 115 D HA 0.173 4.813 4.640 0.001 0.000 0.249 115 D C -0.421 175.955 176.300 0.125 0.000 1.036 115 D CA 0.649 54.669 54.000 0.032 0.000 0.911 115 D CB 0.569 41.331 40.800 -0.063 0.000 1.145 115 D HN 0.391 nan 8.370 nan 0.000 0.495 116 V N 1.597 121.495 119.914 -0.026 0.000 2.588 116 V HA 0.370 4.491 4.120 0.001 0.000 0.304 116 V C -1.187 174.920 176.094 0.022 0.000 1.042 116 V CA -0.718 61.654 62.300 0.120 0.000 0.877 116 V CB 1.938 33.747 31.823 -0.023 0.000 0.996 116 V HN -0.114 nan 8.190 nan 0.000 0.425 117 F N 3.239 123.311 119.950 0.204 0.000 2.382 117 F HA 0.523 5.050 4.527 0.001 0.000 0.361 117 F C 0.488 176.397 175.800 0.181 0.000 1.109 117 F CA -0.654 57.460 58.000 0.189 0.000 1.031 117 F CB 1.391 40.503 39.000 0.188 0.000 1.234 117 F HN 0.361 nan 8.300 nan 0.000 0.445 118 R N 3.480 124.123 120.500 0.238 0.000 2.272 118 R HA 0.500 4.840 4.340 0.001 0.000 0.334 118 R C -1.339 175.103 176.300 0.237 0.000 1.117 118 R CA -0.132 56.073 56.100 0.174 0.000 0.966 118 R CB 0.237 30.551 30.300 0.023 0.000 1.049 118 R HN 0.468 nan 8.270 nan 0.000 0.477 119 V N 6.938 127.001 119.914 0.249 0.000 2.394 119 V HA 0.452 4.573 4.120 0.001 0.000 0.282 119 V C -0.252 176.001 176.094 0.265 0.000 1.031 119 V CA -0.509 61.932 62.300 0.235 0.000 0.881 119 V CB 0.785 32.707 31.823 0.164 0.000 0.982 119 V HN 0.658 nan 8.190 nan 0.000 0.451 120 F N 2.099 122.066 119.950 0.029 0.000 2.650 120 F HA 0.896 5.423 4.527 0.001 0.000 0.320 120 F C -1.075 174.736 175.800 0.018 0.000 1.091 120 F CA -1.507 56.509 58.000 0.027 0.000 0.962 120 F CB 2.020 41.029 39.000 0.016 0.000 1.363 120 F HN 0.489 nan 8.300 nan 0.000 0.482 121 D N 0.897 121.293 120.400 -0.007 0.000 2.964 121 D HA 0.570 5.210 4.640 0.001 0.000 0.234 121 D C 0.300 176.676 176.300 0.127 0.000 1.223 121 D CA -0.315 53.610 54.000 -0.124 0.000 0.889 121 D CB 2.356 43.129 40.800 -0.045 0.000 1.609 121 D HN 0.899 nan 8.370 nan 0.000 0.523 122 A N 3.701 126.581 122.820 0.100 0.000 2.131 122 A HA -0.099 4.222 4.320 0.001 0.000 0.220 122 A C 1.641 179.322 177.584 0.163 0.000 1.158 122 A CA 1.126 53.289 52.037 0.210 0.000 0.665 122 A CB -0.365 18.735 19.000 0.168 0.000 0.795 122 A HN 0.740 nan 8.150 nan 0.000 0.460 123 M N -1.614 118.065 119.600 0.133 0.000 2.337 123 M HA 0.100 4.580 4.480 0.001 0.000 0.256 123 M C -0.138 176.246 176.300 0.140 0.000 1.075 123 M CA 0.014 55.388 55.300 0.123 0.000 1.024 123 M CB 0.230 32.889 32.600 0.098 0.000 1.429 123 M HN 0.409 nan 8.290 nan 0.000 0.497 124 N N 1.665 120.460 118.700 0.158 0.000 2.776 124 N HA -0.155 4.585 4.740 0.001 0.000 0.249 124 N C -0.468 175.109 175.510 0.113 0.000 1.111 124 N CA 0.756 53.906 53.050 0.167 0.000 0.711 124 N CB -1.413 37.206 38.487 0.221 0.000 1.065 124 N HN 0.400 nan 8.380 nan 0.000 0.556 125 D N 0.828 121.281 120.400 0.090 0.000 2.365 125 D HA 0.269 4.909 4.640 0.001 0.000 0.237 125 D C 1.361 177.696 176.300 0.057 0.000 1.190 125 D CA -0.281 53.759 54.000 0.066 0.000 0.867 125 D CB 0.962 41.802 40.800 0.067 0.000 1.050 125 D HN -0.070 nan 8.370 nan 0.000 0.491 126 V N 5.267 125.214 119.914 0.055 0.000 2.594 126 V HA -0.222 3.899 4.120 0.001 0.000 0.253 126 V C 2.354 178.468 176.094 0.033 0.000 1.069 126 V CA 1.501 63.831 62.300 0.050 0.000 1.082 126 V CB -0.437 31.417 31.823 0.052 0.000 0.680 126 V HN 0.525 nan 8.190 nan 0.000 0.469 127 R N 0.585 121.103 120.500 0.030 0.000 2.148 127 R HA -0.083 4.258 4.340 0.001 0.000 0.227 127 R C 2.004 178.314 176.300 0.017 0.000 1.103 127 R CA 1.279 57.393 56.100 0.023 0.000 0.983 127 R CB -0.352 29.963 30.300 0.025 0.000 0.874 127 R HN 0.547 nan 8.270 nan 0.000 0.451 128 N N 0.325 119.034 118.700 0.016 0.000 2.354 128 N HA -0.052 4.688 4.740 0.001 0.000 0.179 128 N C 1.511 176.980 175.510 -0.069 0.000 1.021 128 N CA 1.154 54.187 53.050 -0.028 0.000 0.887 128 N CB 0.084 38.551 38.487 -0.032 0.000 0.974 128 N HN 0.267 nan 8.380 nan 0.000 0.437 129 M N 0.068 119.650 119.600 -0.030 0.000 2.435 129 M HA 0.023 4.504 4.480 0.001 0.000 0.265 129 M C 2.102 178.398 176.300 -0.007 0.000 1.104 129 M CA 0.417 55.706 55.300 -0.020 0.000 1.140 129 M CB 0.023 32.636 32.600 0.022 0.000 1.372 129 M HN 0.075 nan 8.290 nan 0.000 0.456 130 Q N 0.893 120.692 119.800 -0.002 0.000 2.045 130 Q HA -0.312 4.028 4.340 0.001 0.000 0.206 130 Q C 2.047 178.042 176.000 -0.008 0.000 0.991 130 Q CA 2.199 58.003 55.803 0.002 0.000 0.851 130 Q CB -0.010 28.731 28.738 0.005 0.000 0.911 130 Q HN 0.337 nan 8.270 nan 0.000 0.418 131 Q N -0.221 119.570 119.800 -0.015 0.000 2.050 131 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 131 Q C 1.802 177.787 176.000 -0.026 0.000 0.980 131 Q CA 2.054 57.846 55.803 -0.019 0.000 0.840 131 Q CB -0.509 28.218 28.738 -0.018 0.000 0.898 131 Q HN 0.487 nan 8.270 nan 0.000 0.424 132 A N -0.002 122.800 122.820 -0.031 0.000 1.877 132 A HA -0.156 4.165 4.320 0.001 0.000 0.216 132 A C 2.128 179.683 177.584 -0.048 0.000 1.186 132 A CA 1.525 53.542 52.037 -0.034 0.000 0.620 132 A CB -0.896 18.094 19.000 -0.017 0.000 0.822 132 A HN 0.441 nan 8.150 nan 0.000 0.443 133 L N -1.138 120.075 121.223 -0.018 0.000 2.012 133 L HA -0.294 4.046 4.340 0.001 0.000 0.210 133 L C 2.913 179.763 176.870 -0.034 0.000 1.073 133 L CA 2.044 56.878 54.840 -0.010 0.000 0.748 133 L CB -0.606 41.463 42.059 0.018 0.000 0.891 133 L HN 0.489 nan 8.230 nan 0.000 0.431 134 Q N -0.599 119.185 119.800 -0.027 0.000 2.096 134 Q HA -0.221 4.119 4.340 0.001 0.000 0.204 134 Q C 2.300 178.273 176.000 -0.044 0.000 0.982 134 Q CA 1.879 57.665 55.803 -0.027 0.000 0.850 134 Q CB -0.149 28.578 28.738 -0.017 0.000 0.901 134 Q HN 0.557 nan 8.270 nan 0.000 0.422 135 A N -0.622 122.162 122.820 -0.059 0.000 1.930 135 A HA -0.112 4.209 4.320 0.001 0.000 0.217 135 A C 2.181 179.685 177.584 -0.133 0.000 1.175 135 A CA 1.231 53.223 52.037 -0.076 0.000 0.627 135 A CB -0.559 18.403 19.000 -0.063 0.000 0.815 135 A HN 0.267 nan 8.150 nan 0.000 0.443 136 V N 0.379 120.174 119.914 -0.199 0.000 2.255 136 V HA -0.327 3.794 4.120 0.001 0.000 0.247 136 V C 2.446 178.465 176.094 -0.126 0.000 1.051 136 V CA 2.473 64.598 62.300 -0.292 0.000 1.018 136 V CB -0.798 30.843 31.823 -0.304 0.000 0.641 136 V HN 0.564 nan 8.190 nan 0.000 0.445 137 K N 0.421 120.778 120.400 -0.072 0.000 2.044 137 K HA -0.303 4.017 4.320 0.001 0.000 0.210 137 K C 2.206 178.789 176.600 -0.029 0.000 1.049 137 K CA 2.188 58.453 56.287 -0.036 0.000 0.927 137 K CB -0.347 32.136 32.500 -0.028 0.000 0.713 137 K HN 0.482 nan 8.250 nan 0.000 0.443 138 K N 0.615 120.993 120.400 -0.036 0.000 2.103 138 K HA -0.135 4.186 4.320 0.001 0.000 0.207 138 K C 1.842 178.428 176.600 -0.022 0.000 1.048 138 K CA 1.472 57.743 56.287 -0.026 0.000 0.930 138 K CB 0.053 32.536 32.500 -0.028 0.000 0.716 138 K HN -0.021 nan 8.250 nan 0.000 0.444 139 M N -0.205 119.374 119.600 -0.035 0.000 2.562 139 M HA 0.143 4.623 4.480 0.001 0.000 0.257 139 M C 1.206 177.509 176.300 0.005 0.000 1.099 139 M CA 1.244 56.533 55.300 -0.019 0.000 1.099 139 M CB -0.419 32.160 32.600 -0.036 0.000 1.427 139 M HN 0.581 nan 8.290 nan 0.000 0.489 140 G N 0.555 109.359 108.800 0.008 0.000 2.136 140 G HA2 -0.159 3.801 3.960 0.001 0.000 0.242 140 G HA3 -0.159 3.801 3.960 0.001 0.000 0.242 140 G C 0.317 175.253 174.900 0.059 0.000 0.989 140 G CA 0.331 45.448 45.100 0.027 0.000 0.682 140 G HN 0.769 nan 8.290 nan 0.000 0.522 141 A N -0.821 122.044 122.820 0.074 0.000 2.242 141 A HA 0.776 5.096 4.320 0.001 0.000 0.304 141 A C 0.034 177.738 177.584 0.200 0.000 1.100 141 A CA 0.072 52.210 52.037 0.169 0.000 0.860 141 A CB 0.620 19.772 19.000 0.253 0.000 1.168 141 A HN 1.086 nan 8.150 nan 0.000 0.503 142 H N -0.247 118.945 119.070 0.202 0.000 2.604 142 H HA 0.545 5.102 4.556 0.001 0.000 0.306 142 H C -0.039 175.446 175.328 0.261 0.000 1.075 142 H CA 0.173 56.347 56.048 0.210 0.000 1.357 142 H CB 0.829 30.719 29.762 0.212 0.000 1.426 142 H HN 0.702 nan 8.280 nan 0.000 0.470 143 A N 5.413 128.261 122.820 0.047 0.000 2.341 143 A HA 0.188 4.509 4.320 0.001 0.000 0.326 143 A C -0.349 177.322 177.584 0.144 0.000 1.402 143 A CA -0.668 51.447 52.037 0.129 0.000 0.957 143 A CB 0.310 19.327 19.000 0.028 0.000 1.151 143 A HN 0.851 nan 8.150 nan 0.000 0.533 144 Q N 2.746 122.739 119.800 0.322 0.000 2.398 144 Q HA 0.491 4.832 4.340 0.001 0.000 0.251 144 Q C 0.423 176.537 176.000 0.190 0.000 0.999 144 Q CA -0.304 55.667 55.803 0.280 0.000 0.874 144 Q CB 1.024 29.957 28.738 0.325 0.000 1.215 144 Q HN 0.820 nan 8.270 nan 0.000 0.470 145 G N 2.100 110.986 108.800 0.144 0.000 2.572 145 G HA2 0.431 4.391 3.960 0.001 0.000 0.261 145 G HA3 0.431 4.391 3.960 0.001 0.000 0.261 145 G C -0.682 174.297 174.900 0.133 0.000 1.197 145 G CA -0.127 45.052 45.100 0.131 0.000 0.870 145 G HN 0.554 nan 8.290 nan 0.000 0.548 146 T N 0.719 115.364 114.554 0.151 0.000 2.893 146 T HA 0.480 4.830 4.350 0.001 0.000 0.293 146 T C -0.303 174.502 174.700 0.175 0.000 1.027 146 T CA -0.400 61.788 62.100 0.147 0.000 0.988 146 T CB 1.447 70.420 68.868 0.175 0.000 1.043 146 T HN 0.306 nan 8.240 nan 0.000 0.461 147 L N 1.782 123.097 121.223 0.153 0.000 2.287 147 L HA 0.445 4.786 4.340 0.001 0.000 0.287 147 L C -0.285 176.683 176.870 0.163 0.000 1.022 147 L CA -0.827 54.141 54.840 0.214 0.000 0.814 147 L CB 1.178 43.354 42.059 0.194 0.000 1.217 147 L HN 0.659 nan 8.230 nan 0.000 0.420 148 C N 3.384 122.827 119.300 0.239 0.000 2.322 148 C HA 0.194 4.654 4.460 0.001 0.000 0.343 148 C C 0.370 175.480 174.990 0.200 0.000 1.190 148 C CA -0.649 58.480 59.018 0.185 0.000 1.704 148 C CB -0.872 26.995 27.740 0.212 0.000 2.293 148 C HN 0.521 nan 8.230 nan 0.000 0.523 149 Y N 3.159 123.418 120.300 -0.069 0.000 2.497 149 Y HA 0.425 4.976 4.550 0.001 0.000 0.334 149 Y C 0.772 176.681 175.900 0.015 0.000 1.199 149 Y CA 1.292 59.275 58.100 -0.195 0.000 1.425 149 Y CB 0.630 38.916 38.460 -0.290 0.000 1.291 149 Y HN 0.691 nan 8.280 nan 0.000 0.562 150 T N 3.336 117.437 114.554 -0.755 0.000 2.802 150 T HA 0.429 4.779 4.350 0.001 0.000 0.311 150 T C -1.470 172.814 174.700 -0.694 0.000 1.405 150 T CA -0.657 61.084 62.100 -0.598 0.000 1.016 150 T CB 1.261 69.914 68.868 -0.358 0.000 1.352 150 T HN 0.604 nan 8.240 nan 0.000 0.498 151 T N 2.368 116.696 114.554 -0.376 0.000 2.792 151 T HA 0.748 5.098 4.350 0.001 0.000 0.280 151 T C -0.828 173.802 174.700 -0.118 0.000 0.990 151 T CA -0.489 61.504 62.100 -0.179 0.000 0.960 151 T CB 1.006 69.840 68.868 -0.058 0.000 0.939 151 T HN 0.879 nan 8.240 nan 0.000 0.439 152 S N 3.016 118.673 115.700 -0.073 0.000 2.615 152 S HA 0.577 5.047 4.470 0.001 0.000 0.269 152 S C -2.642 171.794 174.600 -0.273 0.000 1.161 152 S CA -1.230 56.868 58.200 -0.171 0.000 0.817 152 S CB 1.309 64.467 63.200 -0.069 0.000 1.131 152 S HN 0.299 nan 8.310 nan 0.000 0.467 153 P HA 0.081 nan 4.420 nan 0.000 0.233 153 P C 1.170 178.254 177.300 -0.359 0.000 1.167 153 P CA 0.879 63.738 63.100 -0.400 0.000 0.770 153 P CB -0.148 31.301 31.700 -0.419 0.000 0.837 154 V N -5.732 113.894 119.914 -0.479 0.000 3.578 154 V HA 0.270 4.390 4.120 0.001 0.000 0.290 154 V C 0.144 175.938 176.094 -0.499 0.000 1.376 154 V CA -0.203 61.864 62.300 -0.387 0.000 1.083 154 V CB -1.408 30.227 31.823 -0.313 0.000 0.911 154 V HN -0.009 nan 8.190 nan 0.000 0.433 155 H N 2.887 121.773 119.070 -0.307 0.000 2.458 155 H HA 0.782 5.338 4.556 0.001 0.000 0.330 155 H C -0.081 175.120 175.328 -0.211 0.000 1.111 155 H CA 0.369 56.193 56.048 -0.374 0.000 1.245 155 H CB 1.326 30.876 29.762 -0.353 0.000 1.456 155 H HN 0.739 nan 8.280 nan 0.000 0.488 156 N N 0.561 119.168 118.700 -0.156 0.000 3.261 156 N HA 0.086 4.827 4.740 0.001 0.000 0.248 156 N C -0.267 175.332 175.510 0.149 0.000 1.498 156 N CA -0.860 52.223 53.050 0.056 0.000 0.884 156 N CB 0.792 39.282 38.487 0.004 0.000 1.428 156 N HN 0.354 nan 8.380 nan 0.000 0.517 157 L N -0.511 120.850 121.223 0.230 0.000 2.012 157 L HA -0.245 4.096 4.340 0.001 0.000 0.210 157 L C 2.673 179.651 176.870 0.180 0.000 1.073 157 L CA 2.202 57.203 54.840 0.268 0.000 0.748 157 L CB -0.671 41.493 42.059 0.174 0.000 0.891 157 L HN 0.789 nan 8.230 nan 0.000 0.431 158 Q N 0.132 119.980 119.800 0.080 0.000 2.124 158 Q HA -0.208 4.132 4.340 0.001 0.000 0.202 158 Q C 1.994 177.997 176.000 0.006 0.000 0.977 158 Q CA 2.233 58.061 55.803 0.041 0.000 0.850 158 Q CB -0.608 28.136 28.738 0.009 0.000 0.901 158 Q HN 0.585 nan 8.270 nan 0.000 0.429 159 T N -2.470 112.036 114.554 -0.081 0.000 2.821 159 T HA -0.136 4.214 4.350 0.001 0.000 0.267 159 T C 1.325 175.929 174.700 -0.161 0.000 1.046 159 T CA 0.974 62.952 62.100 -0.204 0.000 1.139 159 T CB -0.746 67.878 68.868 -0.407 0.000 0.871 159 T HN 0.566 nan 8.240 nan 0.000 0.454 160 W N 1.098 122.445 121.300 0.078 0.000 2.388 160 W HA 0.096 4.757 4.660 0.001 0.000 0.294 160 W C 2.610 179.172 176.519 0.072 0.000 1.212 160 W CA 0.011 57.413 57.345 0.096 0.000 1.271 160 W CB -0.555 28.976 29.460 0.119 0.000 1.126 160 W HN 0.042 nan 8.180 nan 0.000 0.535 161 V N 0.835 120.907 119.914 0.264 0.000 2.287 161 V HA -0.340 3.780 4.120 0.001 0.000 0.248 161 V C 1.883 178.047 176.094 0.117 0.000 1.053 161 V CA 2.243 64.640 62.300 0.162 0.000 1.027 161 V CB -0.957 30.935 31.823 0.115 0.000 0.646 161 V HN 0.075 nan 8.190 nan 0.000 0.447 162 D N 0.123 120.570 120.400 0.078 0.000 2.106 162 D HA -0.166 4.474 4.640 0.001 0.000 0.191 162 D C 2.149 178.488 176.300 0.065 0.000 0.997 162 D CA 1.692 55.720 54.000 0.046 0.000 0.834 162 D CB -0.587 40.213 40.800 0.000 0.000 0.956 162 D HN 0.335 nan 8.370 nan 0.000 0.448 163 V N 1.323 121.293 119.914 0.093 0.000 2.295 163 V HA -0.241 3.880 4.120 0.001 0.000 0.246 163 V C 2.540 178.716 176.094 0.136 0.000 1.049 163 V CA 1.901 64.274 62.300 0.122 0.000 1.024 163 V CB -0.959 30.976 31.823 0.187 0.000 0.648 163 V HN 0.212 nan 8.190 nan 0.000 0.447 164 A N -1.010 121.909 122.820 0.165 0.000 1.908 164 A HA -0.269 4.051 4.320 0.001 0.000 0.218 164 A C 2.219 179.861 177.584 0.096 0.000 1.181 164 A CA 1.781 53.899 52.037 0.136 0.000 0.627 164 A CB -0.522 18.564 19.000 0.143 0.000 0.818 164 A HN 0.503 nan 8.150 nan 0.000 0.445 165 Q N -0.380 119.471 119.800 0.085 0.000 2.084 165 Q HA -0.206 4.134 4.340 0.001 0.000 0.202 165 Q C 2.228 178.260 176.000 0.053 0.000 0.978 165 Q CA 1.830 57.670 55.803 0.062 0.000 0.844 165 Q CB -0.416 28.354 28.738 0.053 0.000 0.898 165 Q HN 0.830 nan 8.270 nan 0.000 0.426 166 Q N -0.140 119.694 119.800 0.056 0.000 2.096 166 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 166 Q C 2.244 178.274 176.000 0.050 0.000 0.982 166 Q CA 1.021 56.853 55.803 0.048 0.000 0.850 166 Q CB -0.071 28.696 28.738 0.048 0.000 0.901 166 Q HN 0.333 nan 8.270 nan 0.000 0.422 167 L N -0.233 121.029 121.223 0.064 0.000 2.109 167 L HA -0.121 4.220 4.340 0.001 0.000 0.207 167 L C 2.486 179.387 176.870 0.051 0.000 1.086 167 L CA 0.697 55.575 54.840 0.063 0.000 0.760 167 L CB -0.520 41.588 42.059 0.082 0.000 0.910 167 L HN 0.206 nan 8.230 nan 0.000 0.437 168 A N 0.105 122.956 122.820 0.052 0.000 1.883 168 A HA -0.265 4.056 4.320 0.001 0.000 0.217 168 A C 2.120 179.724 177.584 0.033 0.000 1.186 168 A CA 1.915 53.978 52.037 0.043 0.000 0.624 168 A CB -0.497 18.530 19.000 0.045 0.000 0.822 168 A HN 0.398 nan 8.150 nan 0.000 0.444 169 E N -0.341 119.878 120.200 0.032 0.000 2.204 169 E HA -0.095 4.255 4.350 0.001 0.000 0.195 169 E C 1.673 178.285 176.600 0.021 0.000 0.990 169 E CA 0.802 57.217 56.400 0.025 0.000 0.821 169 E CB -0.223 29.492 29.700 0.024 0.000 0.750 169 E HN 0.636 nan 8.360 nan 0.000 0.477 170 L N -0.833 120.404 121.223 0.024 0.000 2.551 170 L HA 0.049 4.389 4.340 0.001 0.000 0.228 170 L C 1.237 178.115 176.870 0.014 0.000 1.153 170 L CA 0.471 55.323 54.840 0.019 0.000 0.851 170 L CB -0.193 41.880 42.059 0.023 0.000 0.959 170 L HN 0.338 nan 8.230 nan 0.000 0.451 171 G N 0.766 109.576 108.800 0.016 0.000 2.171 171 G HA2 -0.241 3.719 3.960 0.001 0.000 0.238 171 G HA3 -0.241 3.719 3.960 0.001 0.000 0.238 171 G C 0.329 175.229 174.900 0.001 0.000 1.039 171 G CA 0.147 45.253 45.100 0.009 0.000 0.759 171 G HN 0.229 nan 8.290 nan 0.000 0.501 172 V N -2.695 117.225 119.914 0.010 0.000 3.032 172 V HA 0.332 4.452 4.120 0.001 0.000 0.307 172 V C 1.203 177.280 176.094 -0.029 0.000 1.097 172 V CA 0.744 63.044 62.300 0.001 0.000 1.191 172 V CB 0.932 32.777 31.823 0.037 0.000 0.964 172 V HN 0.187 nan 8.190 nan 0.000 0.494 173 D N 1.195 121.527 120.400 -0.114 0.000 2.305 173 D HA 0.116 4.756 4.640 0.001 0.000 0.206 173 D C 0.828 177.106 176.300 -0.037 0.000 0.974 173 D CA 1.424 55.303 54.000 -0.201 0.000 0.871 173 D CB 0.693 41.084 40.800 -0.683 0.000 0.947 173 D HN 0.919 nan 8.370 nan 0.000 0.516 174 S N -0.683 115.054 115.700 0.061 0.000 2.636 174 S HA 0.535 5.005 4.470 0.001 0.000 0.266 174 S C -1.163 173.523 174.600 0.143 0.000 1.147 174 S CA -0.929 57.370 58.200 0.164 0.000 0.815 174 S CB 1.650 65.040 63.200 0.315 0.000 1.119 174 S HN -0.006 nan 8.310 nan 0.000 0.470 175 I N 1.052 121.692 120.570 0.117 0.000 2.478 175 I HA 0.634 4.804 4.170 0.001 0.000 0.287 175 I C 0.024 176.194 176.117 0.089 0.000 1.042 175 I CA -0.868 60.493 61.300 0.101 0.000 1.067 175 I CB 1.836 39.888 38.000 0.086 0.000 1.233 175 I HN 0.974 nan 8.210 nan 0.000 0.431 176 A N 6.494 129.358 122.820 0.072 0.000 2.331 176 A HA 0.637 4.957 4.320 0.001 0.000 0.283 176 A C -0.874 176.724 177.584 0.023 0.000 1.142 176 A CA -0.344 51.710 52.037 0.029 0.000 0.812 176 A CB 0.852 19.819 19.000 -0.056 0.000 1.074 176 A HN 0.579 nan 8.150 nan 0.000 0.497 177 L N 1.989 123.213 121.223 0.002 0.000 2.282 177 L HA 0.558 4.898 4.340 0.001 0.000 0.288 177 L C -0.028 176.830 176.870 -0.020 0.000 1.033 177 L CA 0.001 54.816 54.840 -0.041 0.000 0.807 177 L CB 1.029 43.022 42.059 -0.111 0.000 1.209 177 L HN 0.669 nan 8.230 nan 0.000 0.423 178 K N 3.469 123.865 120.400 -0.006 0.000 2.535 178 K HA 0.322 4.643 4.320 0.001 0.000 0.253 178 K C -1.402 175.249 176.600 0.085 0.000 0.953 178 K CA -0.488 55.821 56.287 0.037 0.000 0.863 178 K CB 0.954 33.409 32.500 -0.074 0.000 1.111 178 K HN 0.599 nan 8.250 nan 0.000 0.431 179 D N 5.555 126.034 120.400 0.132 0.000 2.477 179 D HA 0.101 4.741 4.640 0.001 0.000 0.239 179 D C 0.760 177.175 176.300 0.192 0.000 1.102 179 D CA -0.268 53.811 54.000 0.132 0.000 0.901 179 D CB 0.887 41.709 40.800 0.037 0.000 1.026 179 D HN 0.643 nan 8.370 nan 0.000 0.515 180 M N 2.574 122.251 119.600 0.128 0.000 2.229 180 M HA -0.050 4.431 4.480 0.001 0.000 0.264 180 M C 1.384 177.599 176.300 -0.142 0.000 1.063 180 M CA 1.244 56.546 55.300 0.004 0.000 1.114 180 M CB 0.286 32.845 32.600 -0.068 0.000 1.387 180 M HN 0.426 nan 8.290 nan 0.000 0.420 181 A N -0.657 122.147 122.820 -0.027 0.000 2.030 181 A HA 0.311 4.631 4.320 0.001 0.000 0.215 181 A C 1.574 179.157 177.584 -0.000 0.000 1.164 181 A CA 0.947 52.966 52.037 -0.030 0.000 0.697 181 A CB -0.495 18.509 19.000 0.007 0.000 0.827 181 A HN 0.709 nan 8.150 nan 0.000 0.457 182 G N -0.155 108.668 108.800 0.038 0.000 2.142 182 G HA2 -0.239 3.721 3.960 0.001 0.000 0.225 182 G HA3 -0.239 3.721 3.960 0.001 0.000 0.225 182 G C 0.649 175.560 174.900 0.020 0.000 1.015 182 G CA 0.404 45.520 45.100 0.026 0.000 0.716 182 G HN 1.204 nan 8.290 nan 0.000 0.508 183 I N -2.328 118.279 120.570 0.061 0.000 3.783 183 I HA 0.508 4.678 4.170 0.001 0.000 0.310 183 I C 1.101 177.285 176.117 0.111 0.000 1.274 183 I CA -0.445 60.907 61.300 0.087 0.000 1.294 183 I CB 0.185 38.253 38.000 0.114 0.000 1.051 183 I HN 0.131 nan 8.210 nan 0.000 0.435 184 L N 4.392 125.636 121.223 0.036 0.000 2.485 184 L HA 0.220 4.561 4.340 0.001 0.000 0.279 184 L C 0.840 177.625 176.870 -0.142 0.000 1.124 184 L CA 0.380 55.111 54.840 -0.182 0.000 0.888 184 L CB -0.067 41.679 42.059 -0.521 0.000 1.217 184 L HN 0.395 nan 8.230 nan 0.000 0.464 185 T N 3.033 117.538 114.554 -0.081 0.000 2.860 185 T HA 0.275 4.625 4.350 0.001 0.000 0.299 185 T C -1.661 172.948 174.700 -0.153 0.000 1.045 185 T CA -1.176 60.873 62.100 -0.085 0.000 1.071 185 T CB 0.704 69.561 68.868 -0.017 0.000 0.985 185 T HN 0.488 nan 8.240 nan 0.000 0.537 186 P HA -0.093 nan 4.420 nan 0.000 0.216 186 P C 0.821 177.949 177.300 -0.287 0.000 1.153 186 P CA 1.243 64.147 63.100 -0.326 0.000 0.858 186 P CB -0.131 31.271 31.700 -0.497 0.000 0.789 187 Y N -0.876 119.393 120.300 -0.051 0.000 2.420 187 Y HA 0.138 4.688 4.550 0.001 0.000 0.292 187 Y C 2.509 178.387 175.900 -0.037 0.000 1.119 187 Y CA 0.379 58.456 58.100 -0.038 0.000 1.229 187 Y CB -1.489 36.960 38.460 -0.019 0.000 1.026 187 Y HN -0.110 nan 8.280 nan 0.000 0.554 188 A N 0.107 122.978 122.820 0.086 0.000 1.930 188 A HA -0.062 4.259 4.320 0.001 0.000 0.217 188 A C 2.457 180.010 177.584 -0.051 0.000 1.175 188 A CA 1.648 53.710 52.037 0.042 0.000 0.627 188 A CB -1.065 17.969 19.000 0.056 0.000 0.815 188 A HN 0.346 nan 8.150 nan 0.000 0.443 189 A N -0.413 122.327 122.820 -0.134 0.000 1.933 189 A HA -0.165 4.155 4.320 0.001 0.000 0.218 189 A C 2.015 179.538 177.584 -0.102 0.000 1.175 189 A CA 1.734 53.658 52.037 -0.190 0.000 0.628 189 A CB -0.472 18.392 19.000 -0.227 0.000 0.814 189 A HN 0.672 nan 8.150 nan 0.000 0.444 190 E N -0.328 119.853 120.200 -0.031 0.000 2.031 190 E HA -0.243 4.107 4.350 0.001 0.000 0.193 190 E C 2.035 178.648 176.600 0.021 0.000 0.994 190 E CA 1.337 57.748 56.400 0.017 0.000 0.800 190 E CB -0.188 29.587 29.700 0.125 0.000 0.752 190 E HN 0.731 nan 8.360 nan 0.000 0.447 191 E N 0.001 120.227 120.200 0.043 0.000 2.049 191 E HA -0.239 4.112 4.350 0.001 0.000 0.198 191 E C 2.215 178.834 176.600 0.031 0.000 1.007 191 E CA 1.315 57.740 56.400 0.043 0.000 0.809 191 E CB -0.108 29.630 29.700 0.063 0.000 0.749 191 E HN 0.197 nan 8.360 nan 0.000 0.450 192 L N 0.202 121.427 121.223 0.003 0.000 2.027 192 L HA -0.128 4.212 4.340 0.001 0.000 0.206 192 L C 2.252 179.106 176.870 -0.027 0.000 1.074 192 L CA 1.364 56.195 54.840 -0.014 0.000 0.745 192 L CB -0.556 41.434 42.059 -0.114 0.000 0.898 192 L HN 0.040 nan 8.230 nan 0.000 0.433 193 V N -0.870 119.010 119.914 -0.057 0.000 2.295 193 V HA -0.264 3.856 4.120 0.001 0.000 0.246 193 V C 2.614 178.699 176.094 -0.014 0.000 1.049 193 V CA 1.804 64.074 62.300 -0.050 0.000 1.024 193 V CB -0.705 31.073 31.823 -0.076 0.000 0.648 193 V HN 0.502 nan 8.190 nan 0.000 0.447 194 S N -0.149 115.549 115.700 -0.002 0.000 2.365 194 S HA -0.256 4.214 4.470 0.001 0.000 0.225 194 S C 2.078 176.693 174.600 0.025 0.000 1.039 194 S CA 2.244 60.452 58.200 0.014 0.000 1.033 194 S CB -0.493 62.720 63.200 0.021 0.000 0.887 194 S HN 0.714 nan 8.310 nan 0.000 0.447 195 T N 2.492 117.067 114.554 0.035 0.000 2.777 195 T HA 0.058 4.408 4.350 0.001 0.000 0.266 195 T C 1.771 176.503 174.700 0.054 0.000 1.040 195 T CA 0.947 63.078 62.100 0.052 0.000 1.141 195 T CB -0.346 68.568 68.868 0.076 0.000 0.868 195 T HN 0.243 nan 8.240 nan 0.000 0.444 196 L N 0.303 121.556 121.223 0.049 0.000 2.072 196 L HA -0.021 4.319 4.340 0.001 0.000 0.205 196 L C 2.691 179.583 176.870 0.037 0.000 1.079 196 L CA 0.888 55.759 54.840 0.052 0.000 0.752 196 L CB -0.372 41.713 42.059 0.044 0.000 0.906 196 L HN 0.024 nan 8.230 nan 0.000 0.436 197 K N 0.340 120.754 120.400 0.023 0.000 2.211 197 K HA -0.160 4.160 4.320 0.001 0.000 0.203 197 K C 1.985 178.600 176.600 0.025 0.000 1.050 197 K CA 1.134 57.432 56.287 0.019 0.000 0.945 197 K CB -0.150 32.357 32.500 0.011 0.000 0.732 197 K HN 0.254 nan 8.250 nan 0.000 0.451 198 K N 0.730 121.147 120.400 0.029 0.000 2.186 198 K HA -0.027 4.293 4.320 0.001 0.000 0.202 198 K C 1.673 178.292 176.600 0.032 0.000 1.052 198 K CA 0.789 57.093 56.287 0.029 0.000 0.965 198 K CB 0.340 32.857 32.500 0.029 0.000 0.746 198 K HN 0.127 nan 8.250 nan 0.000 0.457 199 Q N -0.221 119.602 119.800 0.039 0.000 2.392 199 Q HA 0.118 4.459 4.340 0.001 0.000 0.219 199 Q C -0.334 175.692 176.000 0.043 0.000 0.895 199 Q CA 0.141 55.969 55.803 0.042 0.000 0.929 199 Q CB 1.540 30.308 28.738 0.050 0.000 1.077 199 Q HN -0.002 nan 8.270 nan 0.000 0.532 200 V N 1.443 121.384 119.914 0.046 0.000 2.540 200 V HA 0.146 4.266 4.120 0.001 0.000 0.302 200 V C -0.813 175.305 176.094 0.039 0.000 1.035 200 V CA -0.795 61.533 62.300 0.046 0.000 0.873 200 V CB 1.837 33.695 31.823 0.059 0.000 0.992 200 V HN -0.015 nan 8.190 nan 0.000 0.428 201 D N 4.002 124.424 120.400 0.037 0.000 2.896 201 D HA 0.389 5.030 4.640 0.001 0.000 0.240 201 D C -0.353 175.969 176.300 0.035 0.000 1.193 201 D CA 0.138 54.158 54.000 0.033 0.000 0.983 201 D CB 0.139 40.957 40.800 0.030 0.000 1.074 201 D HN 0.494 nan 8.370 nan 0.000 0.496 202 V N -1.714 118.222 119.914 0.037 0.000 3.114 202 V HA 0.540 4.660 4.120 0.001 0.000 0.308 202 V C -0.010 176.104 176.094 0.034 0.000 1.168 202 V CA -1.315 61.010 62.300 0.041 0.000 1.015 202 V CB 1.676 33.529 31.823 0.049 0.000 1.050 202 V HN 0.034 nan 8.190 nan 0.000 0.433 203 E N 1.956 122.178 120.200 0.037 0.000 2.414 203 E HA 0.359 4.709 4.350 0.001 0.000 0.263 203 E C -0.914 175.690 176.600 0.006 0.000 1.000 203 E CA 0.086 56.491 56.400 0.008 0.000 0.914 203 E CB 1.003 30.708 29.700 0.008 0.000 0.948 203 E HN 0.522 nan 8.360 nan 0.000 0.444 204 L N 2.884 124.089 121.223 -0.030 0.000 2.329 204 L HA 0.391 4.731 4.340 0.001 0.000 0.279 204 L C -0.587 176.250 176.870 -0.056 0.000 1.014 204 L CA -0.585 54.243 54.840 -0.020 0.000 0.814 204 L CB 1.314 43.355 42.059 -0.029 0.000 1.257 204 L HN 0.624 nan 8.230 nan 0.000 0.424 205 H N 2.958 121.960 119.070 -0.112 0.000 2.744 205 H HA 0.446 5.002 4.556 0.000 0.000 0.339 205 H C -1.332 173.937 175.328 -0.097 0.000 1.004 205 H CA -0.802 55.158 56.048 -0.146 0.000 1.257 205 H CB 1.930 31.590 29.762 -0.171 0.000 1.552 205 H HN 0.363 nan 8.280 nan 0.000 0.522 206 L N 4.761 126.069 121.223 0.142 0.000 2.309 206 L HA 0.350 4.690 4.340 0.001 0.000 0.282 206 L C -1.177 175.785 176.870 0.153 0.000 1.036 206 L CA -0.397 54.487 54.840 0.073 0.000 0.806 206 L CB 1.033 43.063 42.059 -0.049 0.000 1.220 206 L HN 0.783 nan 8.230 nan 0.000 0.429 207 H N 3.720 122.774 119.070 -0.026 0.000 2.658 207 H HA 0.629 5.186 4.556 0.001 0.000 0.337 207 H C -1.470 173.839 175.328 -0.032 0.000 1.009 207 H CA -0.397 55.629 56.048 -0.038 0.000 1.231 207 H CB 1.218 30.945 29.762 -0.059 0.000 1.508 207 H HN 0.770 nan 8.280 nan 0.000 0.517 208 C N 5.059 124.215 119.300 -0.239 0.000 2.547 208 C HA 0.334 4.794 4.460 0.001 0.000 0.313 208 C C -0.519 174.307 174.990 -0.273 0.000 1.191 208 C CA -0.723 58.196 59.018 -0.166 0.000 1.474 208 C CB 1.139 28.794 27.740 -0.141 0.000 2.081 208 C HN 0.853 nan 8.230 nan 0.000 0.476 209 H N 1.067 120.010 119.070 -0.212 0.000 2.481 209 H HA 0.170 4.726 4.556 0.001 0.000 0.339 209 H C 0.689 175.906 175.328 -0.186 0.000 1.131 209 H CA 0.090 55.979 56.048 -0.264 0.000 1.301 209 H CB 1.657 31.284 29.762 -0.225 0.000 1.476 209 H HN 0.654 nan 8.280 nan 0.000 0.529 210 S N 1.569 117.201 115.700 -0.113 0.000 2.603 210 S HA -0.080 4.390 4.470 0.001 0.000 0.220 210 S C 1.778 176.333 174.600 -0.075 0.000 0.967 210 S CA 0.390 58.534 58.200 -0.094 0.000 0.920 210 S CB 0.020 63.157 63.200 -0.106 0.000 0.773 210 S HN 0.631 nan 8.310 nan 0.000 0.529 211 T N 2.518 117.045 114.554 -0.046 0.000 2.685 211 T HA -0.178 4.173 4.350 0.001 0.000 0.268 211 T C 1.762 176.416 174.700 -0.077 0.000 1.034 211 T CA 1.546 63.604 62.100 -0.070 0.000 1.149 211 T CB -0.317 68.540 68.868 -0.018 0.000 0.860 211 T HN 0.524 nan 8.240 nan 0.000 0.449 212 A N 0.057 122.847 122.820 -0.050 0.000 2.379 212 A HA 0.593 4.913 4.320 0.001 0.000 0.236 212 A C 1.805 179.360 177.584 -0.049 0.000 1.272 212 A CA 0.559 52.570 52.037 -0.044 0.000 0.886 212 A CB -0.628 18.358 19.000 -0.023 0.000 0.962 212 A HN 0.827 nan 8.150 nan 0.000 0.504 213 G N -1.075 107.688 108.800 -0.061 0.000 2.143 213 G HA2 -0.257 3.704 3.960 0.001 0.000 0.249 213 G HA3 -0.257 3.704 3.960 0.001 0.000 0.249 213 G C 0.651 175.512 174.900 -0.065 0.000 0.981 213 G CA 0.602 45.665 45.100 -0.062 0.000 0.665 213 G HN 0.502 nan 8.290 nan 0.000 0.528 214 L N -0.639 120.542 121.223 -0.069 0.000 2.515 214 L HA 0.405 4.746 4.340 0.001 0.000 0.223 214 L C 2.951 179.760 176.870 -0.102 0.000 1.079 214 L CA 0.938 55.728 54.840 -0.084 0.000 0.857 214 L CB -0.320 41.694 42.059 -0.077 0.000 1.050 214 L HN 0.270 nan 8.230 nan 0.000 0.476 215 A N 0.523 123.285 122.820 -0.096 0.000 1.902 215 A HA -0.220 4.101 4.320 0.001 0.000 0.217 215 A C 1.802 179.319 177.584 -0.112 0.000 1.181 215 A CA 1.991 53.963 52.037 -0.110 0.000 0.623 215 A CB -0.403 18.530 19.000 -0.113 0.000 0.818 215 A HN 0.298 nan 8.150 nan 0.000 0.443 216 D N -0.182 120.160 120.400 -0.097 0.000 2.092 216 D HA -0.174 4.467 4.640 0.001 0.000 0.193 216 D C 2.065 178.300 176.300 -0.108 0.000 0.994 216 D CA 1.692 55.638 54.000 -0.090 0.000 0.828 216 D CB -0.405 40.351 40.800 -0.073 0.000 0.963 216 D HN 0.489 nan 8.370 nan 0.000 0.450 217 M N 0.044 119.573 119.600 -0.118 0.000 2.117 217 M HA -0.124 4.356 4.480 0.001 0.000 0.262 217 M C 2.245 178.436 176.300 -0.181 0.000 1.065 217 M CA 1.239 56.450 55.300 -0.149 0.000 1.114 217 M CB -0.451 32.052 32.600 -0.161 0.000 1.361 217 M HN -0.045 nan 8.290 nan 0.000 0.408 218 T N 1.197 115.646 114.554 -0.175 0.000 2.684 218 T HA -0.127 4.224 4.350 0.001 0.000 0.267 218 T C 1.734 176.330 174.700 -0.175 0.000 1.036 218 T CA 1.191 63.179 62.100 -0.187 0.000 1.148 218 T CB -0.214 68.547 68.868 -0.179 0.000 0.863 218 T HN 0.127 nan 8.240 nan 0.000 0.436 219 L N 0.479 121.610 121.223 -0.155 0.000 2.083 219 L HA 0.006 4.347 4.340 0.001 0.000 0.209 219 L C 2.176 178.945 176.870 -0.168 0.000 1.083 219 L CA 1.212 55.962 54.840 -0.150 0.000 0.752 219 L CB -0.850 41.132 42.059 -0.128 0.000 0.899 219 L HN 0.207 nan 8.230 nan 0.000 0.433 220 L N -0.933 120.193 121.223 -0.162 0.000 2.027 220 L HA -0.147 4.193 4.340 0.001 0.000 0.206 220 L C 2.407 179.166 176.870 -0.185 0.000 1.074 220 L CA 1.732 56.469 54.840 -0.172 0.000 0.745 220 L CB -0.691 41.289 42.059 -0.131 0.000 0.898 220 L HN 0.083 nan 8.230 nan 0.000 0.433 221 K N -0.071 120.226 120.400 -0.170 0.000 2.097 221 K HA 0.006 4.326 4.320 0.001 0.000 0.206 221 K C 2.120 178.639 176.600 -0.135 0.000 1.049 221 K CA 1.308 57.509 56.287 -0.143 0.000 0.933 221 K CB -0.917 31.471 32.500 -0.187 0.000 0.717 221 K HN 0.430 nan 8.250 nan 0.000 0.442 222 A N 1.178 123.902 122.820 -0.160 0.000 1.902 222 A HA -0.129 4.191 4.320 0.001 0.000 0.217 222 A C 2.324 179.800 177.584 -0.181 0.000 1.181 222 A CA 1.316 53.260 52.037 -0.155 0.000 0.623 222 A CB -0.586 18.317 19.000 -0.161 0.000 0.818 222 A HN 0.214 nan 8.150 nan 0.000 0.443 223 I N -0.401 120.018 120.570 -0.252 0.000 2.226 223 I HA -0.266 3.904 4.170 0.001 0.000 0.245 223 I C 2.406 178.236 176.117 -0.478 0.000 1.100 223 I CA 1.618 62.679 61.300 -0.399 0.000 1.374 223 I CB -0.373 37.315 38.000 -0.520 0.000 1.057 223 I HN 0.423 nan 8.210 nan 0.000 0.413 224 E N 0.511 120.502 120.200 -0.349 0.000 2.265 224 E HA -0.160 4.191 4.350 0.001 0.000 0.196 224 E C 1.923 178.508 176.600 -0.024 0.000 0.996 224 E CA 1.018 57.330 56.400 -0.146 0.000 0.832 224 E CB -0.062 29.608 29.700 -0.050 0.000 0.756 224 E HN 0.514 nan 8.360 nan 0.000 0.491 225 A N -0.199 122.587 122.820 -0.058 0.000 2.308 225 A HA 0.345 4.666 4.320 0.001 0.000 0.217 225 A C 1.512 179.089 177.584 -0.012 0.000 1.216 225 A CA 0.674 52.701 52.037 -0.017 0.000 0.864 225 A CB 0.282 19.267 19.000 -0.025 0.000 0.902 225 A HN 0.288 nan 8.150 nan 0.000 0.499 226 G N -1.413 107.372 108.800 -0.025 0.000 2.154 226 G HA2 -0.112 3.848 3.960 0.001 0.000 0.186 226 G HA3 -0.112 3.848 3.960 0.001 0.000 0.186 226 G C 0.264 175.142 174.900 -0.036 0.000 1.000 226 G CA -0.012 45.090 45.100 0.004 0.000 0.664 226 G HN 0.997 nan 8.290 nan 0.000 0.513 227 V N 0.576 120.438 119.914 -0.085 0.000 2.788 227 V HA 0.270 4.390 4.120 0.001 0.000 0.307 227 V C 1.481 177.502 176.094 -0.122 0.000 1.069 227 V CA 1.703 63.939 62.300 -0.107 0.000 1.173 227 V CB 0.802 32.545 31.823 -0.133 0.000 0.925 227 V HN 0.407 nan 8.190 nan 0.000 0.492 228 D N 4.128 124.441 120.400 -0.145 0.000 2.183 228 D HA 0.142 4.783 4.640 0.001 0.000 0.205 228 D C 0.637 176.760 176.300 -0.296 0.000 0.962 228 D CA 1.069 54.961 54.000 -0.179 0.000 0.849 228 D CB 0.172 40.864 40.800 -0.181 0.000 0.978 228 D HN 0.523 nan 8.370 nan 0.000 0.488 229 R N -0.284 119.964 120.500 -0.420 0.000 2.740 229 R HA 0.594 4.935 4.340 0.001 0.000 0.273 229 R C -1.433 174.553 176.300 -0.523 0.000 0.998 229 R CA -0.900 54.811 56.100 -0.649 0.000 0.900 229 R CB 2.829 32.328 30.300 -1.335 0.000 1.223 229 R HN -0.078 nan 8.270 nan 0.000 0.466 230 V N -1.711 117.983 119.914 -0.367 0.000 3.040 230 V HA 0.603 4.724 4.120 0.001 0.000 0.312 230 V C -1.035 175.067 176.094 0.013 0.000 1.115 230 V CA -0.997 61.227 62.300 -0.128 0.000 0.998 230 V CB 2.349 34.107 31.823 -0.108 0.000 1.042 230 V HN 0.547 nan 8.190 nan 0.000 0.433 231 D N 2.144 122.598 120.400 0.090 0.000 2.198 231 D HA 0.748 5.389 4.640 0.001 0.000 0.245 231 D C 0.226 176.473 176.300 -0.087 0.000 1.079 231 D CA 0.305 54.333 54.000 0.046 0.000 0.854 231 D CB 1.897 42.740 40.800 0.072 0.000 1.148 231 D HN 1.138 nan 8.370 nan 0.000 0.456 232 T N -1.628 112.859 114.554 -0.112 0.000 2.838 232 T HA 0.864 5.214 4.350 0.001 0.000 0.292 232 T C -0.941 173.648 174.700 -0.185 0.000 1.113 232 T CA -1.079 60.948 62.100 -0.122 0.000 1.008 232 T CB 1.666 70.514 68.868 -0.032 0.000 1.259 232 T HN 0.258 nan 8.240 nan 0.000 0.520 233 A N 1.405 124.148 122.820 -0.128 0.000 2.343 233 A HA 0.668 4.989 4.320 0.001 0.000 0.316 233 A C 0.111 177.661 177.584 -0.056 0.000 1.104 233 A CA -0.955 51.003 52.037 -0.131 0.000 0.768 233 A CB 0.491 19.443 19.000 -0.081 0.000 1.213 233 A HN 0.878 nan 8.150 nan 0.000 0.456 234 I N 2.784 123.312 120.570 -0.069 0.000 3.076 234 I HA -0.175 3.995 4.170 0.001 0.000 0.321 234 I C 2.072 178.200 176.117 0.018 0.000 1.216 234 I CA 1.319 62.615 61.300 -0.007 0.000 1.460 234 I CB 0.046 38.013 38.000 -0.054 0.000 1.313 234 I HN 1.011 nan 8.210 nan 0.000 0.546 235 S N 4.701 120.434 115.700 0.056 0.000 2.365 235 S HA -0.228 4.243 4.470 0.001 0.000 0.225 235 S C 1.806 176.450 174.600 0.072 0.000 1.039 235 S CA 1.472 59.706 58.200 0.057 0.000 1.033 235 S CB -0.603 62.632 63.200 0.059 0.000 0.887 235 S HN 0.798 nan 8.310 nan 0.000 0.447 236 S N 1.195 116.957 115.700 0.104 0.000 2.474 236 S HA 0.159 4.630 4.470 0.001 0.000 0.235 236 S C 1.334 176.019 174.600 0.141 0.000 0.997 236 S CA 0.707 58.985 58.200 0.130 0.000 0.949 236 S CB -0.499 62.805 63.200 0.172 0.000 0.766 236 S HN 0.483 nan 8.310 nan 0.000 0.517 237 M N 2.468 122.127 119.600 0.097 0.000 2.771 237 M HA 0.331 4.811 4.480 0.001 0.000 0.341 237 M C 0.230 176.573 176.300 0.072 0.000 1.226 237 M CA -0.041 55.313 55.300 0.089 0.000 0.955 237 M CB -0.349 32.223 32.600 -0.047 0.000 1.318 237 M HN 0.488 nan 8.290 nan 0.000 0.514 238 S N -1.029 114.716 115.700 0.074 0.000 2.715 238 S HA 0.969 5.439 4.470 0.001 0.000 0.307 238 S C 0.274 174.904 174.600 0.050 0.000 1.119 238 S CA 0.027 58.262 58.200 0.058 0.000 0.937 238 S CB 2.586 65.807 63.200 0.035 0.000 1.150 238 S HN 0.625 nan 8.310 nan 0.000 0.521 239 G N 0.400 109.208 108.800 0.014 0.000 2.655 239 G HA2 0.281 4.241 3.960 0.001 0.000 0.680 239 G HA3 0.281 4.241 3.960 0.001 0.000 0.680 239 G C 0.435 175.316 174.900 -0.033 0.000 1.302 239 G CA 0.284 45.375 45.100 -0.014 0.000 0.872 239 G HN 2.710 nan 8.290 nan 0.000 0.540 240 T N -2.231 112.273 114.554 -0.084 0.000 10.685 240 T HA -0.484 3.867 4.350 0.001 0.000 0.323 240 T C 1.479 176.073 174.700 -0.176 0.000 1.535 240 T CA 3.646 65.625 62.100 -0.201 0.000 1.843 240 T CB -1.419 67.276 68.868 -0.289 0.000 2.180 240 T HN 1.960 nan 8.240 nan 0.000 0.409 241 Y N 3.005 123.294 120.300 -0.018 0.000 2.556 241 Y HA 0.235 4.785 4.550 0.001 0.000 0.290 241 Y C 2.549 178.433 175.900 -0.027 0.000 1.149 241 Y CA 0.757 58.843 58.100 -0.023 0.000 1.329 241 Y CB -1.043 37.407 38.460 -0.017 0.000 0.975 241 Y HN 0.833 nan 8.280 nan 0.000 0.561 242 G N -1.502 107.298 108.800 0.000 0.000 3.380 242 G HA2 0.382 4.342 3.960 0.001 0.000 0.188 242 G HA3 0.382 4.342 3.960 0.001 0.000 0.188 242 G C -0.994 173.476 174.900 -0.718 0.000 1.892 242 G CA -0.186 44.695 45.100 -0.366 0.000 0.912 242 G HN 0.327 nan 8.290 nan 0.000 0.609 243 H N -0.940 118.024 119.070 -0.176 0.000 3.008 243 H HA 0.462 5.018 4.556 0.000 0.000 0.354 243 H C -2.680 172.550 175.328 -0.163 0.000 1.252 243 H CA -1.479 54.409 56.048 -0.266 0.000 1.117 243 H CB 1.667 31.230 29.762 -0.331 0.000 1.857 243 H HN 0.174 nan 8.280 nan 0.000 0.547 244 P HA 0.136 nan 4.420 nan 0.000 0.268 244 P C -0.773 176.518 177.300 -0.015 0.000 1.208 244 P CA -0.090 62.990 63.100 -0.033 0.000 0.777 244 P CB 0.490 32.155 31.700 -0.058 0.000 0.875 245 A N 2.343 125.158 122.820 -0.009 0.000 2.401 245 A HA 0.232 4.552 4.320 0.001 0.000 0.259 245 A C 1.503 179.092 177.584 0.009 0.000 1.103 245 A CA 0.155 52.194 52.037 0.005 0.000 0.789 245 A CB -0.489 18.519 19.000 0.013 0.000 1.035 245 A HN 0.558 nan 8.150 nan 0.000 0.491 246 T N 1.954 116.523 114.554 0.025 0.000 2.674 246 T HA -0.143 4.207 4.350 0.001 0.000 0.265 246 T C 1.585 176.312 174.700 0.045 0.000 1.039 246 T CA 2.387 64.519 62.100 0.053 0.000 1.150 246 T CB -0.267 68.671 68.868 0.116 0.000 0.864 246 T HN 0.821 nan 8.240 nan 0.000 0.427 247 E N 1.137 121.364 120.200 0.044 0.000 2.110 247 E HA -0.041 4.310 4.350 0.001 0.000 0.193 247 E C 2.540 179.152 176.600 0.019 0.000 0.988 247 E CA 0.971 57.391 56.400 0.033 0.000 0.804 247 E CB -0.294 29.429 29.700 0.039 0.000 0.745 247 E HN 0.260 nan 8.360 nan 0.000 0.458 248 S N 0.572 116.281 115.700 0.014 0.000 2.356 248 S HA -0.141 4.330 4.470 0.001 0.000 0.223 248 S C 1.821 176.419 174.600 -0.004 0.000 1.032 248 S CA 0.919 59.121 58.200 0.004 0.000 1.005 248 S CB -0.284 62.915 63.200 -0.002 0.000 0.867 248 S HN 0.155 nan 8.310 nan 0.000 0.449 249 L N 1.881 123.099 121.223 -0.008 0.000 2.017 249 L HA -0.038 4.302 4.340 0.001 0.000 0.208 249 L C 2.211 179.079 176.870 -0.003 0.000 1.073 249 L CA 1.509 56.340 54.840 -0.016 0.000 0.745 249 L CB -0.757 41.287 42.059 -0.025 0.000 0.894 249 L HN 0.120 nan 8.230 nan 0.000 0.432 250 V N 0.167 120.084 119.914 0.007 0.000 2.282 250 V HA -0.365 3.755 4.120 0.001 0.000 0.249 250 V C 2.798 178.898 176.094 0.010 0.000 1.057 250 V CA 1.851 64.156 62.300 0.009 0.000 1.032 250 V CB -1.489 30.337 31.823 0.006 0.000 0.645 250 V HN 0.624 nan 8.190 nan 0.000 0.447 251 A N -0.475 122.351 122.820 0.009 0.000 1.908 251 A HA -0.242 4.078 4.320 0.001 0.000 0.218 251 A C 2.385 179.976 177.584 0.012 0.000 1.181 251 A CA 2.552 54.595 52.037 0.010 0.000 0.627 251 A CB -0.995 18.010 19.000 0.009 0.000 0.818 251 A HN 0.519 nan 8.150 nan 0.000 0.445 252 T N 0.304 114.863 114.554 0.009 0.000 2.788 252 T HA -0.027 4.323 4.350 0.001 0.000 0.268 252 T C 1.580 176.298 174.700 0.031 0.000 1.044 252 T CA 1.347 63.453 62.100 0.011 0.000 1.139 252 T CB -0.268 68.596 68.868 -0.005 0.000 0.867 252 T HN 0.376 nan 8.240 nan 0.000 0.454 253 L N 0.337 121.583 121.223 0.038 0.000 2.509 253 L HA 0.204 4.544 4.340 0.001 0.000 0.222 253 L C 1.299 178.206 176.870 0.063 0.000 1.123 253 L CA 0.076 54.965 54.840 0.080 0.000 0.856 253 L CB -0.262 41.846 42.059 0.081 0.000 0.985 253 L HN 0.263 nan 8.230 nan 0.000 0.456 254 Q N 0.539 120.360 119.800 0.035 0.000 2.289 254 Q HA 0.177 4.518 4.340 0.001 0.000 0.273 254 Q C 1.125 177.135 176.000 0.016 0.000 1.029 254 Q CA 0.848 56.663 55.803 0.020 0.000 0.896 254 Q CB 0.593 29.337 28.738 0.012 0.000 1.182 254 Q HN 0.363 nan 8.270 nan 0.000 0.385 255 G N 2.536 111.340 108.800 0.007 0.000 2.155 255 G HA2 -0.319 3.642 3.960 0.001 0.000 0.257 255 G HA3 -0.319 3.642 3.960 0.001 0.000 0.257 255 G C 0.218 175.111 174.900 -0.011 0.000 0.983 255 G CA 0.626 45.724 45.100 -0.004 0.000 0.676 255 G HN 0.778 nan 8.290 nan 0.000 0.528 256 T N -3.445 111.108 114.554 -0.002 0.000 2.884 256 T HA 0.623 4.974 4.350 0.001 0.000 0.277 256 T C 1.799 176.421 174.700 -0.130 0.000 0.976 256 T CA 0.434 62.514 62.100 -0.034 0.000 0.956 256 T CB 1.475 70.384 68.868 0.068 0.000 1.113 256 T HN 1.066 nan 8.240 nan 0.000 0.554 257 G N -0.856 107.751 108.800 -0.321 0.000 2.470 257 G HA2 -0.091 3.869 3.960 0.001 0.000 0.220 257 G HA3 -0.091 3.869 3.960 0.001 0.000 0.220 257 G C 0.731 175.371 174.900 -0.434 0.000 1.121 257 G CA 0.362 45.202 45.100 -0.433 0.000 0.766 257 G HN 0.797 nan 8.290 nan 0.000 0.553 258 Y N 0.335 120.624 120.300 -0.019 0.000 2.511 258 Y HA 0.187 4.737 4.550 0.000 0.000 0.279 258 Y C 1.069 176.955 175.900 -0.024 0.000 1.157 258 Y CA -1.230 56.855 58.100 -0.025 0.000 1.300 258 Y CB -0.138 38.303 38.460 -0.031 0.000 1.052 258 Y HN 0.065 nan 8.280 nan 0.000 0.529 259 D N 1.928 122.375 120.400 0.078 0.000 3.434 259 D HA -0.137 4.503 4.640 0.001 0.000 0.215 259 D C 1.326 177.650 176.300 0.039 0.000 1.157 259 D CA 1.193 55.221 54.000 0.046 0.000 0.785 259 D CB 0.800 41.606 40.800 0.009 0.000 1.164 259 D HN 0.501 nan 8.370 nan 0.000 0.580 260 T N 1.457 116.032 114.554 0.036 0.000 2.962 260 T HA 0.056 4.407 4.350 0.001 0.000 0.270 260 T C 1.683 176.385 174.700 0.004 0.000 1.088 260 T CA 0.891 63.004 62.100 0.021 0.000 1.127 260 T CB -0.093 68.782 68.868 0.012 0.000 0.883 260 T HN 0.714 nan 8.240 nan 0.000 0.493 261 G N 1.156 109.955 108.800 -0.002 0.000 2.148 261 G HA2 -0.206 3.754 3.960 0.001 0.000 0.254 261 G HA3 -0.206 3.754 3.960 0.001 0.000 0.254 261 G C -0.044 174.837 174.900 -0.031 0.000 0.981 261 G CA 0.218 45.310 45.100 -0.012 0.000 0.670 261 G HN 0.651 nan 8.290 nan 0.000 0.528 262 L N 0.553 121.751 121.223 -0.042 0.000 2.326 262 L HA 0.407 4.747 4.340 0.001 0.000 0.278 262 L C 0.319 177.155 176.870 -0.057 0.000 1.092 262 L CA -0.657 54.136 54.840 -0.078 0.000 0.810 262 L CB 1.032 43.021 42.059 -0.116 0.000 1.153 262 L HN 0.131 nan 8.230 nan 0.000 0.439 263 D N 2.190 122.552 120.400 -0.063 0.000 2.338 263 D HA 0.163 4.803 4.640 0.001 0.000 0.255 263 D C 1.106 177.390 176.300 -0.025 0.000 1.237 263 D CA -0.033 53.945 54.000 -0.037 0.000 0.883 263 D CB 0.831 41.611 40.800 -0.033 0.000 1.087 263 D HN 0.339 nan 8.370 nan 0.000 0.485 264 I N 3.172 123.736 120.570 -0.011 0.000 2.286 264 I HA -0.252 3.918 4.170 0.001 0.000 0.248 264 I C 2.239 178.364 176.117 0.012 0.000 1.115 264 I CA 0.994 62.296 61.300 0.003 0.000 1.392 264 I CB -0.108 37.897 38.000 0.008 0.000 1.065 264 I HN 0.511 nan 8.210 nan 0.000 0.418 265 A N 0.561 123.386 122.820 0.008 0.000 1.930 265 A HA -0.206 4.115 4.320 0.001 0.000 0.217 265 A C 2.310 179.905 177.584 0.019 0.000 1.175 265 A CA 1.529 53.575 52.037 0.015 0.000 0.627 265 A CB -0.368 18.638 19.000 0.010 0.000 0.815 265 A HN 0.289 nan 8.150 nan 0.000 0.443 266 K N -0.551 119.854 120.400 0.009 0.000 2.097 266 K HA 0.028 4.348 4.320 0.001 0.000 0.205 266 K C 1.814 178.432 176.600 0.030 0.000 1.050 266 K CA 1.138 57.431 56.287 0.010 0.000 0.938 266 K CB -0.289 32.204 32.500 -0.012 0.000 0.718 266 K HN 0.455 nan 8.250 nan 0.000 0.442 267 L N 0.882 122.121 121.223 0.028 0.000 2.027 267 L HA -0.179 4.162 4.340 0.001 0.000 0.206 267 L C 2.644 179.570 176.870 0.093 0.000 1.074 267 L CA 1.133 56.011 54.840 0.063 0.000 0.745 267 L CB -0.383 41.703 42.059 0.046 0.000 0.898 267 L HN 0.248 nan 8.230 nan 0.000 0.433 268 E N 0.259 120.502 120.200 0.072 0.000 2.130 268 E HA -0.274 4.076 4.350 0.001 0.000 0.196 268 E C 2.043 178.702 176.600 0.099 0.000 0.998 268 E CA 1.552 58.001 56.400 0.082 0.000 0.806 268 E CB -0.022 29.713 29.700 0.057 0.000 0.738 268 E HN 0.554 nan 8.360 nan 0.000 0.459 269 Q N -0.122 119.730 119.800 0.086 0.000 2.096 269 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 269 Q C 2.525 178.609 176.000 0.140 0.000 0.982 269 Q CA 1.543 57.402 55.803 0.092 0.000 0.850 269 Q CB -0.169 28.605 28.738 0.060 0.000 0.901 269 Q HN 0.406 nan 8.270 nan 0.000 0.422 270 I N 0.516 121.181 120.570 0.158 0.000 2.286 270 I HA -0.255 3.915 4.170 0.001 0.000 0.248 270 I C 2.379 178.736 176.117 0.400 0.000 1.115 270 I CA 0.949 62.397 61.300 0.246 0.000 1.392 270 I CB -0.345 37.812 38.000 0.262 0.000 1.065 270 I HN 0.122 nan 8.210 nan 0.000 0.418 271 A N 0.623 123.620 122.820 0.295 0.000 1.929 271 A HA -0.032 4.289 4.320 0.001 0.000 0.216 271 A C 2.540 180.277 177.584 0.255 0.000 1.176 271 A CA 1.473 53.685 52.037 0.291 0.000 0.628 271 A CB -0.655 18.454 19.000 0.182 0.000 0.816 271 A HN 0.400 nan 8.150 nan 0.000 0.444 272 A N -1.353 121.582 122.820 0.192 0.000 1.930 272 A HA -0.093 4.228 4.320 0.001 0.000 0.217 272 A C 2.093 179.755 177.584 0.131 0.000 1.175 272 A CA 1.573 53.691 52.037 0.134 0.000 0.627 272 A CB -0.788 18.273 19.000 0.101 0.000 0.815 272 A HN 0.726 nan 8.150 nan 0.000 0.443 273 Y N -0.762 119.563 120.300 0.040 0.000 2.145 273 Y HA -0.224 4.326 4.550 0.000 0.000 0.286 273 Y C 1.872 177.724 175.900 -0.080 0.000 1.145 273 Y CA 2.130 60.193 58.100 -0.062 0.000 1.148 273 Y CB -0.416 37.951 38.460 -0.156 0.000 0.981 273 Y HN 0.262 nan 8.280 nan 0.000 0.507 274 F N 0.174 120.229 119.950 0.174 0.000 2.407 274 F HA -0.017 4.510 4.527 -0.000 0.000 0.299 274 F C 2.623 178.440 175.800 0.028 0.000 1.097 274 F CA 1.345 59.408 58.000 0.106 0.000 1.422 274 F CB -0.478 38.653 39.000 0.219 0.000 1.067 274 F HN -0.031 nan 8.300 nan 0.000 0.539 275 R N 0.659 121.266 120.500 0.178 0.000 2.080 275 R HA -0.181 4.159 4.340 0.001 0.000 0.236 275 R C 1.852 178.163 176.300 0.018 0.000 1.137 275 R CA 2.210 58.370 56.100 0.100 0.000 0.943 275 R CB -0.435 29.911 30.300 0.077 0.000 0.846 275 R HN 0.106 nan 8.270 nan 0.000 0.431 276 D N -0.107 120.257 120.400 -0.061 0.000 2.092 276 D HA -0.157 4.483 4.640 0.001 0.000 0.193 276 D C 1.977 178.202 176.300 -0.126 0.000 0.994 276 D CA 1.466 55.396 54.000 -0.116 0.000 0.828 276 D CB -0.359 40.332 40.800 -0.182 0.000 0.963 276 D HN 0.107 nan 8.370 nan 0.000 0.450 277 V N 0.796 120.594 119.914 -0.193 0.000 2.332 277 V HA -0.238 3.882 4.120 0.001 0.000 0.248 277 V C 2.555 178.707 176.094 0.098 0.000 1.055 277 V CA 1.737 63.985 62.300 -0.086 0.000 1.038 277 V CB -0.445 31.277 31.823 -0.167 0.000 0.651 277 V HN 0.152 nan 8.190 nan 0.000 0.450 278 R N 0.027 120.578 120.500 0.086 0.000 2.120 278 R HA -0.178 4.162 4.340 0.001 0.000 0.234 278 R C 2.341 178.610 176.300 -0.051 0.000 1.123 278 R CA 1.461 57.546 56.100 -0.025 0.000 0.975 278 R CB -0.158 30.204 30.300 0.104 0.000 0.866 278 R HN 0.478 nan 8.270 nan 0.000 0.446 279 K N 0.568 120.954 120.400 -0.023 0.000 2.044 279 K HA -0.173 4.148 4.320 0.001 0.000 0.210 279 K C 1.892 178.448 176.600 -0.072 0.000 1.049 279 K CA 2.022 58.281 56.287 -0.047 0.000 0.927 279 K CB -0.048 32.411 32.500 -0.068 0.000 0.713 279 K HN 0.192 nan 8.250 nan 0.000 0.443 280 K N -0.246 120.085 120.400 -0.115 0.000 2.360 280 K HA -0.165 4.156 4.320 0.001 0.000 0.201 280 K C 0.866 177.240 176.600 -0.377 0.000 1.046 280 K CA 1.198 57.335 56.287 -0.250 0.000 0.940 280 K CB -0.024 32.270 32.500 -0.344 0.000 0.748 280 K HN 0.310 nan 8.250 nan 0.000 0.465 281 Y N -1.125 119.050 120.300 -0.209 0.000 2.636 281 Y HA 0.052 4.602 4.550 -0.000 0.000 0.260 281 Y C 1.706 177.505 175.900 -0.168 0.000 1.177 281 Y CA -0.443 57.531 58.100 -0.210 0.000 1.209 281 Y CB -0.074 37.987 38.460 -0.665 0.000 1.166 281 Y HN 0.142 nan 8.280 nan 0.000 0.531 282 H N 0.846 119.840 119.070 -0.125 0.000 2.394 282 H HA -0.275 4.282 4.556 0.001 0.000 0.297 282 H C 2.164 177.404 175.328 -0.146 0.000 1.113 282 H CA 1.819 57.806 56.048 -0.101 0.000 1.277 282 H CB 0.074 29.774 29.762 -0.104 0.000 1.370 282 H HN 0.332 nan 8.280 nan 0.000 0.506 283 A N -0.158 122.393 122.820 -0.447 0.000 1.958 283 A HA -0.175 4.146 4.320 0.001 0.000 0.221 283 A C 1.666 178.869 177.584 -0.635 0.000 1.178 283 A CA 1.833 53.452 52.037 -0.696 0.000 0.642 283 A CB -0.895 17.503 19.000 -1.005 0.000 0.816 283 A HN 0.497 nan 8.150 nan 0.000 0.453 284 F N 0.286 120.221 119.950 -0.025 0.000 2.695 284 F HA 0.226 4.753 4.527 0.000 0.000 0.303 284 F C 0.690 176.527 175.800 0.061 0.000 1.091 284 F CA -0.627 57.395 58.000 0.037 0.000 1.300 284 F CB 0.040 39.132 39.000 0.153 0.000 1.071 284 F HN 0.054 nan 8.300 nan 0.000 0.578 285 E N 1.117 121.400 120.200 0.139 0.000 2.392 285 E HA 0.226 4.577 4.350 0.001 0.000 0.264 285 E C 0.732 177.383 176.600 0.085 0.000 1.024 285 E CA 0.067 56.555 56.400 0.148 0.000 0.903 285 E CB 1.152 30.919 29.700 0.112 0.000 0.963 285 E HN 0.272 nan 8.360 nan 0.000 0.432 286 G N 1.181 110.053 108.800 0.120 0.000 2.588 286 G HA2 0.186 4.146 3.960 0.001 0.000 0.281 286 G HA3 0.186 4.146 3.960 0.001 0.000 0.281 286 G C 0.599 175.639 174.900 0.233 0.000 1.236 286 G CA -0.427 44.745 45.100 0.119 0.000 0.969 286 G HN 0.368 nan 8.290 nan 0.000 0.504 287 M N 0.119 119.858 119.600 0.233 0.000 2.371 287 M HA 0.285 4.766 4.480 0.001 0.000 0.246 287 M C 0.912 177.289 176.300 0.128 0.000 1.103 287 M CA -0.084 55.303 55.300 0.146 0.000 1.010 287 M CB -0.209 32.446 32.600 0.092 0.000 1.457 287 M HN 0.381 nan 8.290 nan 0.000 0.486 288 M N 1.874 121.573 119.600 0.166 0.000 2.217 288 M HA 0.153 4.634 4.480 0.001 0.000 0.354 288 M C -0.521 175.734 176.300 -0.076 0.000 1.225 288 M CA 0.625 55.904 55.300 -0.035 0.000 1.137 288 M CB 0.523 32.943 32.600 -0.300 0.000 1.576 288 M HN -0.061 nan 8.290 nan 0.000 0.461 289 K N 3.293 123.657 120.400 -0.061 0.000 2.345 289 K HA 0.629 4.949 4.320 0.001 0.000 0.255 289 K C 0.176 176.735 176.600 -0.068 0.000 0.934 289 K CA 0.072 56.330 56.287 -0.049 0.000 0.801 289 K CB 1.777 34.269 32.500 -0.013 0.000 1.137 289 K HN 1.019 nan 8.250 nan 0.000 0.424 290 G N 2.158 110.915 108.800 -0.072 0.000 2.520 290 G HA2 -0.245 3.716 3.960 0.001 0.000 0.248 290 G HA3 -0.245 3.716 3.960 0.001 0.000 0.248 290 G C -0.624 174.216 174.900 -0.100 0.000 1.161 290 G CA -0.321 44.738 45.100 -0.069 0.000 0.946 290 G HN 0.532 nan 8.290 nan 0.000 0.565 291 S N 0.285 115.933 115.700 -0.087 0.000 2.600 291 S HA 0.613 5.084 4.470 0.001 0.000 0.300 291 S C -1.237 173.312 174.600 -0.085 0.000 1.087 291 S CA -0.318 57.825 58.200 -0.096 0.000 0.965 291 S CB 2.022 65.180 63.200 -0.069 0.000 1.089 291 S HN 0.767 nan 8.310 nan 0.000 0.496 292 D N 1.324 121.673 120.400 -0.086 0.000 2.443 292 D HA 0.507 5.147 4.640 0.001 0.000 0.221 292 D C 0.452 176.732 176.300 -0.034 0.000 1.097 292 D CA -0.533 53.432 54.000 -0.058 0.000 0.865 292 D CB 1.164 41.929 40.800 -0.057 0.000 1.034 292 D HN 0.546 nan 8.370 nan 0.000 0.511 293 A N 4.332 127.137 122.820 -0.025 0.000 2.208 293 A HA -0.026 4.294 4.320 0.001 0.000 0.209 293 A C 1.961 179.540 177.584 -0.007 0.000 1.161 293 A CA 0.398 52.425 52.037 -0.016 0.000 0.782 293 A CB -0.007 18.984 19.000 -0.014 0.000 0.816 293 A HN 0.518 nan 8.150 nan 0.000 0.477 294 R N -0.229 120.268 120.500 -0.005 0.000 2.092 294 R HA -0.014 4.326 4.340 0.001 0.000 0.231 294 R C 1.586 177.889 176.300 0.005 0.000 1.119 294 R CA 1.486 57.587 56.100 0.002 0.000 0.970 294 R CB -0.489 29.814 30.300 0.005 0.000 0.864 294 R HN 0.549 nan 8.270 nan 0.000 0.440 295 I N 1.023 121.595 120.570 0.002 0.000 2.335 295 I HA -0.277 3.893 4.170 0.001 0.000 0.251 295 I C 1.949 178.072 176.117 0.010 0.000 1.129 295 I CA 1.298 62.602 61.300 0.006 0.000 1.402 295 I CB -0.223 37.779 38.000 0.002 0.000 1.069 295 I HN 0.150 nan 8.210 nan 0.000 0.424 296 L N -0.462 120.765 121.223 0.006 0.000 2.395 296 L HA -0.072 4.268 4.340 0.001 0.000 0.218 296 L C 2.407 179.286 176.870 0.014 0.000 1.130 296 L CA 0.263 55.109 54.840 0.010 0.000 0.826 296 L CB -0.337 41.724 42.059 0.003 0.000 0.941 296 L HN 0.085 nan 8.230 nan 0.000 0.451 297 V N 0.120 120.041 119.914 0.012 0.000 2.358 297 V HA -0.156 3.965 4.120 0.001 0.000 0.246 297 V C 1.686 177.791 176.094 0.018 0.000 1.047 297 V CA 1.906 64.215 62.300 0.014 0.000 1.035 297 V CB -0.293 31.537 31.823 0.012 0.000 0.658 297 V HN 0.548 nan 8.190 nan 0.000 0.452 298 A N -2.074 120.758 122.820 0.020 0.000 2.502 298 A HA 0.441 4.761 4.320 0.001 0.000 0.253 298 A C 0.541 178.141 177.584 0.026 0.000 0.938 298 A CA 0.334 52.385 52.037 0.024 0.000 1.086 298 A CB 0.403 19.418 19.000 0.024 0.000 1.176 298 A HN 0.305 nan 8.150 nan 0.000 0.499 299 Q N -1.393 118.422 119.800 0.025 0.000 2.504 299 Q HA -0.127 4.213 4.340 0.001 0.000 0.269 299 Q C -0.310 175.703 176.000 0.021 0.000 0.970 299 Q CA 0.993 56.811 55.803 0.025 0.000 1.064 299 Q CB -2.454 26.299 28.738 0.025 0.000 1.355 299 Q HN 0.640 nan 8.270 nan 0.000 0.557 300 V N 1.576 121.501 119.914 0.019 0.000 2.427 300 V HA 0.293 4.414 4.120 0.001 0.000 0.268 300 V C -1.711 174.391 176.094 0.013 0.000 1.046 300 V CA -1.250 61.060 62.300 0.016 0.000 0.970 300 V CB 0.733 32.565 31.823 0.015 0.000 1.001 300 V HN 0.045 nan 8.190 nan 0.000 0.476 301 P HA 0.097 nan 4.420 nan 0.000 0.267 301 P C 1.150 178.455 177.300 0.008 0.000 1.200 301 P CA 0.250 63.352 63.100 0.003 0.000 0.772 301 P CB 0.749 32.445 31.700 -0.006 0.000 0.855 302 G N 2.317 111.125 108.800 0.013 0.000 2.446 302 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 302 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 302 G C 1.722 176.641 174.900 0.032 0.000 1.168 302 G CA 0.976 46.097 45.100 0.036 0.000 0.771 302 G HN 0.624 nan 8.290 nan 0.000 0.551 303 G N 0.497 109.304 108.800 0.011 0.000 2.446 303 G HA2 -0.268 3.692 3.960 0.001 0.000 0.217 303 G HA3 -0.268 3.692 3.960 0.001 0.000 0.217 303 G C 1.783 176.684 174.900 0.002 0.000 1.168 303 G CA 1.150 46.248 45.100 -0.004 0.000 0.771 303 G HN 0.403 nan 8.290 nan 0.000 0.551 304 M N -0.408 119.194 119.600 0.003 0.000 2.065 304 M HA -0.076 4.404 4.480 0.001 0.000 0.259 304 M C 2.462 178.767 176.300 0.009 0.000 1.069 304 M CA 1.583 56.887 55.300 0.006 0.000 1.110 304 M CB -0.212 32.391 32.600 0.006 0.000 1.328 304 M HN 0.273 nan 8.290 nan 0.000 0.405 305 L N 0.303 121.533 121.223 0.012 0.000 1.970 305 L HA -0.197 4.144 4.340 0.001 0.000 0.212 305 L C 2.171 179.050 176.870 0.015 0.000 1.071 305 L CA 2.463 57.311 54.840 0.013 0.000 0.751 305 L CB -1.248 40.821 42.059 0.017 0.000 0.889 305 L HN 0.340 nan 8.230 nan 0.000 0.432 306 T N 0.077 114.643 114.554 0.020 0.000 2.649 306 T HA -0.300 4.050 4.350 0.001 0.000 0.268 306 T C 1.833 176.540 174.700 0.013 0.000 1.036 306 T CA 1.992 64.104 62.100 0.019 0.000 1.157 306 T CB -0.651 68.230 68.868 0.021 0.000 0.861 306 T HN 0.560 nan 8.240 nan 0.000 0.445 307 N N 0.353 119.059 118.700 0.010 0.000 2.188 307 N HA -0.041 4.699 4.740 0.001 0.000 0.184 307 N C 1.978 177.493 175.510 0.008 0.000 1.018 307 N CA 0.993 54.049 53.050 0.009 0.000 0.858 307 N CB -0.133 38.359 38.487 0.009 0.000 0.989 307 N HN 0.427 nan 8.380 nan 0.000 0.426 308 M N 0.850 120.454 119.600 0.007 0.000 2.200 308 M HA -0.124 4.357 4.480 0.001 0.000 0.265 308 M C 2.045 178.347 176.300 0.004 0.000 1.066 308 M CA 1.299 56.601 55.300 0.003 0.000 1.127 308 M CB -0.169 32.432 32.600 0.001 0.000 1.379 308 M HN 0.237 nan 8.290 nan 0.000 0.420 309 E N -0.377 119.827 120.200 0.007 0.000 2.152 309 E HA -0.100 4.250 4.350 0.001 0.000 0.192 309 E C 1.835 178.440 176.600 0.008 0.000 0.983 309 E CA 1.417 57.821 56.400 0.008 0.000 0.818 309 E CB -0.280 29.426 29.700 0.010 0.000 0.758 309 E HN 0.251 nan 8.360 nan 0.000 0.467 310 S N 1.246 116.952 115.700 0.010 0.000 2.351 310 S HA -0.229 4.242 4.470 0.001 0.000 0.220 310 S C 2.040 176.645 174.600 0.009 0.000 1.035 310 S CA 1.721 59.927 58.200 0.011 0.000 1.031 310 S CB -0.318 62.889 63.200 0.012 0.000 0.928 310 S HN 0.358 nan 8.310 nan 0.000 0.433 311 Q N 0.269 120.073 119.800 0.007 0.000 2.112 311 Q HA -0.138 4.202 4.340 0.001 0.000 0.206 311 Q C 2.267 178.268 176.000 0.002 0.000 0.987 311 Q CA 1.278 57.084 55.803 0.005 0.000 0.858 311 Q CB -0.396 28.343 28.738 0.003 0.000 0.905 311 Q HN 0.481 nan 8.270 nan 0.000 0.420 312 L N 0.481 121.705 121.223 0.001 0.000 2.093 312 L HA -0.174 4.166 4.340 0.001 0.000 0.208 312 L C 2.590 179.461 176.870 0.001 0.000 1.085 312 L CA 1.079 55.918 54.840 -0.001 0.000 0.755 312 L CB -0.300 41.758 42.059 -0.002 0.000 0.904 312 L HN 0.171 nan 8.230 nan 0.000 0.435 313 K N 0.119 120.521 120.400 0.004 0.000 2.103 313 K HA -0.174 4.146 4.320 0.001 0.000 0.204 313 K C 1.946 178.549 176.600 0.005 0.000 1.052 313 K CA 1.135 57.425 56.287 0.005 0.000 0.945 313 K CB 0.046 32.550 32.500 0.007 0.000 0.722 313 K HN 0.354 nan 8.250 nan 0.000 0.443 314 Q N 0.054 119.858 119.800 0.006 0.000 2.439 314 Q HA -0.190 4.150 4.340 0.001 0.000 0.211 314 Q C 1.693 177.696 176.000 0.005 0.000 0.978 314 Q CA 1.030 56.838 55.803 0.007 0.000 0.897 314 Q CB 0.150 28.893 28.738 0.009 0.000 0.956 314 Q HN 0.294 nan 8.270 nan 0.000 0.483 315 Q N 0.666 120.468 119.800 0.003 0.000 2.141 315 Q HA -0.038 4.302 4.340 0.001 0.000 0.194 315 Q C 0.493 176.493 176.000 0.001 0.000 0.975 315 Q CA 1.159 56.963 55.803 0.001 0.000 0.834 315 Q CB 0.372 29.109 28.738 -0.002 0.000 0.916 315 Q HN 0.440 nan 8.270 nan 0.000 0.484 316 N N -0.624 118.076 118.700 0.000 0.000 2.531 316 N HA 0.591 5.331 4.740 0.001 0.000 0.301 316 N C -1.083 174.425 175.510 -0.003 0.000 1.310 316 N CA -0.238 52.812 53.050 -0.000 0.000 0.949 316 N CB 0.390 38.877 38.487 0.001 0.000 1.111 316 N HN 0.191 nan 8.380 nan 0.000 0.565 317 A N -1.784 121.034 122.820 -0.003 0.000 2.486 317 A HA 0.587 4.907 4.320 0.001 0.000 0.289 317 A C 0.052 177.635 177.584 -0.002 0.000 1.176 317 A CA -0.612 51.424 52.037 -0.002 0.000 0.757 317 A CB 0.561 19.561 19.000 -0.001 0.000 1.337 317 A HN 0.534 nan 8.150 nan 0.000 0.423 318 L N 0.232 121.455 121.223 0.000 0.000 2.418 318 L HA 0.070 4.410 4.340 0.001 0.000 0.218 318 L C 1.473 178.343 176.870 -0.000 0.000 1.125 318 L CA 1.991 56.831 54.840 0.001 0.000 0.835 318 L CB -0.365 41.695 42.059 0.003 0.000 0.953 318 L HN 0.816 nan 8.230 nan 0.000 0.454 319 D N -1.787 118.613 120.400 -0.001 0.000 2.352 319 D HA -0.115 4.525 4.640 0.001 0.000 0.232 319 D C 0.918 177.216 176.300 -0.003 0.000 1.055 319 D CA 0.360 54.359 54.000 -0.001 0.000 0.891 319 D CB -0.096 40.704 40.800 -0.001 0.000 0.897 319 D HN 0.139 nan 8.370 nan 0.000 0.529 320 K N 0.188 120.585 120.400 -0.005 0.000 2.399 320 K HA 0.132 4.452 4.320 0.001 0.000 0.204 320 K C 1.439 178.034 176.600 -0.008 0.000 1.023 320 K CA -0.372 55.910 56.287 -0.008 0.000 1.127 320 K CB 0.421 32.914 32.500 -0.011 0.000 0.856 320 K HN 0.136 nan 8.250 nan 0.000 0.514 321 L N 1.834 123.054 121.223 -0.005 0.000 2.017 321 L HA -0.162 4.179 4.340 0.001 0.000 0.208 321 L C 1.280 178.148 176.870 -0.004 0.000 1.073 321 L CA 2.073 56.910 54.840 -0.003 0.000 0.745 321 L CB -0.331 41.728 42.059 0.000 0.000 0.894 321 L HN 0.071 nan 8.230 nan 0.000 0.432 322 D N -0.392 120.007 120.400 -0.002 0.000 2.123 322 D HA -0.217 4.423 4.640 0.001 0.000 0.196 322 D C 2.334 178.631 176.300 -0.005 0.000 0.992 322 D CA 1.756 55.755 54.000 -0.002 0.000 0.833 322 D CB -0.279 40.521 40.800 -0.000 0.000 0.954 322 D HN 0.386 nan 8.370 nan 0.000 0.455 323 L N 0.286 121.504 121.223 -0.008 0.000 2.046 323 L HA -0.145 4.195 4.340 0.001 0.000 0.208 323 L C 2.591 179.449 176.870 -0.019 0.000 1.077 323 L CA 0.598 55.430 54.840 -0.014 0.000 0.747 323 L CB -0.416 41.633 42.059 -0.017 0.000 0.896 323 L HN -0.062 nan 8.230 nan 0.000 0.432 324 V N 0.120 120.023 119.914 -0.019 0.000 2.407 324 V HA -0.285 3.836 4.120 0.001 0.000 0.248 324 V C 2.386 178.470 176.094 -0.016 0.000 1.055 324 V CA 1.608 63.894 62.300 -0.023 0.000 1.049 324 V CB -0.369 31.443 31.823 -0.019 0.000 0.662 324 V HN 0.352 nan 8.190 nan 0.000 0.455 325 L N -0.491 120.727 121.223 -0.007 0.000 2.093 325 L HA -0.174 4.166 4.340 0.001 0.000 0.208 325 L C 2.522 179.393 176.870 0.002 0.000 1.085 325 L CA 1.583 56.423 54.840 -0.000 0.000 0.755 325 L CB -0.548 41.514 42.059 0.004 0.000 0.904 325 L HN 0.370 nan 8.230 nan 0.000 0.435 326 E N -0.317 119.882 120.200 -0.001 0.000 2.204 326 E HA -0.246 4.105 4.350 0.001 0.000 0.194 326 E C 1.955 178.553 176.600 -0.004 0.000 0.989 326 E CA 0.825 57.225 56.400 0.001 0.000 0.824 326 E CB 0.123 29.823 29.700 -0.001 0.000 0.756 326 E HN 0.307 nan 8.360 nan 0.000 0.477 327 E N 0.993 121.183 120.200 -0.017 0.000 2.107 327 E HA -0.128 4.223 4.350 0.001 0.000 0.191 327 E C 1.728 178.313 176.600 -0.024 0.000 0.982 327 E CA 0.754 57.134 56.400 -0.033 0.000 0.809 327 E CB -0.090 29.576 29.700 -0.058 0.000 0.756 327 E HN 0.216 nan 8.360 nan 0.000 0.459 328 I N 1.210 121.773 120.570 -0.012 0.000 2.091 328 I HA -0.258 3.912 4.170 0.001 0.000 0.239 328 I C -0.679 175.448 176.117 0.017 0.000 1.061 328 I CA 1.505 62.806 61.300 0.000 0.000 1.317 328 I CB -1.488 36.517 38.000 0.009 0.000 1.031 328 I HN 0.167 nan 8.210 nan 0.000 0.401 329 P HA -0.177 nan 4.420 nan 0.000 0.216 329 P C 1.461 178.788 177.300 0.044 0.000 1.150 329 P CA 1.657 64.796 63.100 0.065 0.000 0.843 329 P CB -0.109 31.630 31.700 0.065 0.000 0.787 330 R N -0.895 119.617 120.500 0.019 0.000 2.062 330 R HA -0.027 4.313 4.340 0.001 0.000 0.229 330 R C 2.173 178.469 176.300 -0.006 0.000 1.128 330 R CA 1.122 57.227 56.100 0.007 0.000 0.960 330 R CB -1.238 29.069 30.300 0.011 0.000 0.855 330 R HN 0.109 nan 8.270 nan 0.000 0.432 331 V N 1.200 121.117 119.914 0.005 0.000 2.358 331 V HA -0.228 3.892 4.120 0.001 0.000 0.246 331 V C 2.509 178.582 176.094 -0.035 0.000 1.047 331 V CA 1.622 63.945 62.300 0.038 0.000 1.035 331 V CB -0.563 31.271 31.823 0.018 0.000 0.658 331 V HN 0.298 nan 8.190 nan 0.000 0.452 332 R N -0.117 120.347 120.500 -0.060 0.000 2.081 332 R HA -0.233 4.108 4.340 0.001 0.000 0.235 332 R C 2.415 178.493 176.300 -0.370 0.000 1.131 332 R CA 2.129 58.169 56.100 -0.100 0.000 0.960 332 R CB -0.239 30.075 30.300 0.023 0.000 0.856 332 R HN 0.703 nan 8.270 nan 0.000 0.436 333 E N 0.664 120.522 120.200 -0.571 0.000 2.038 333 E HA -0.221 4.129 4.350 0.001 0.000 0.195 333 E C 1.401 177.637 176.600 -0.607 0.000 1.000 333 E CA 1.624 57.343 56.400 -1.136 0.000 0.803 333 E CB 0.005 29.323 29.700 -0.636 0.000 0.750 333 E HN 0.433 nan 8.360 nan 0.000 0.448 334 E N -0.202 119.820 120.200 -0.297 0.000 2.401 334 E HA -0.112 4.238 4.350 0.001 0.000 0.199 334 E C 1.254 177.744 176.600 -0.184 0.000 1.023 334 E CA 0.369 56.657 56.400 -0.186 0.000 0.859 334 E CB 0.101 29.756 29.700 -0.074 0.000 0.780 334 E HN 0.357 nan 8.360 nan 0.000 0.523 335 L N -0.417 120.687 121.223 -0.198 0.000 2.910 335 L HA 0.265 4.605 4.340 0.001 0.000 0.252 335 L C 0.864 177.643 176.870 -0.153 0.000 1.195 335 L CA -0.115 54.635 54.840 -0.150 0.000 1.003 335 L CB 0.668 42.666 42.059 -0.103 0.000 1.328 335 L HN 0.175 nan 8.230 nan 0.000 0.540 336 G N -0.621 108.044 108.800 -0.225 0.000 2.160 336 G HA2 -0.333 3.627 3.960 0.001 0.000 0.244 336 G HA3 -0.333 3.627 3.960 0.001 0.000 0.244 336 G C 0.312 175.222 174.900 0.016 0.000 1.022 336 G CA -0.185 44.839 45.100 -0.128 0.000 0.741 336 G HN 0.250 nan 8.290 nan 0.000 0.508 337 F N -2.214 117.743 119.950 0.011 0.000 3.067 337 F HA -0.184 4.344 4.527 0.001 0.000 0.279 337 F C 1.159 177.017 175.800 0.096 0.000 0.945 337 F CA 0.501 58.534 58.000 0.056 0.000 0.948 337 F CB -2.143 36.901 39.000 0.073 0.000 0.898 337 F HN 0.526 nan 8.300 nan 0.000 0.746 338 L N -0.173 121.139 121.223 0.148 0.000 2.540 338 L HA 0.356 4.697 4.340 0.001 0.000 0.276 338 L C -1.880 175.050 176.870 0.101 0.000 1.212 338 L CA -2.303 52.598 54.840 0.102 0.000 0.893 338 L CB -0.879 41.187 42.059 0.011 0.000 1.138 338 L HN -0.188 nan 8.230 nan 0.000 0.491 339 P HA 0.003 nan 4.420 nan 0.000 0.264 339 P C -0.274 177.048 177.300 0.038 0.000 1.179 339 P CA 0.196 63.318 63.100 0.036 0.000 0.763 339 P CB 0.350 32.088 31.700 0.063 0.000 0.806 340 L N 3.341 124.577 121.223 0.021 0.000 2.387 340 L HA 0.264 4.604 4.340 0.001 0.000 0.267 340 L C -0.031 176.853 176.870 0.024 0.000 1.197 340 L CA -0.158 54.695 54.840 0.021 0.000 1.070 340 L CB -0.205 41.865 42.059 0.018 0.000 1.349 340 L HN 0.099 nan 8.230 nan 0.000 0.422 341 V N 0.395 120.332 119.914 0.039 0.000 3.012 341 V HA 0.278 4.398 4.120 0.001 0.000 0.307 341 V C 0.160 176.295 176.094 0.069 0.000 1.166 341 V CA -0.690 61.642 62.300 0.054 0.000 0.974 341 V CB 2.650 34.529 31.823 0.093 0.000 1.040 341 V HN 0.484 nan 8.190 nan 0.000 0.428 342 T N 5.690 120.285 114.554 0.068 0.000 2.888 342 T HA 0.208 4.558 4.350 0.001 0.000 0.301 342 T C -1.699 173.087 174.700 0.142 0.000 1.001 342 T CA -0.381 61.767 62.100 0.081 0.000 1.147 342 T CB 1.052 69.953 68.868 0.055 0.000 0.931 342 T HN 0.666 nan 8.240 nan 0.000 0.541 343 P HA 0.108 nan 4.420 nan 0.000 0.268 343 P C 1.247 178.579 177.300 0.054 0.000 1.329 343 P CA 0.033 63.182 63.100 0.082 0.000 0.899 343 P CB -0.091 31.667 31.700 0.097 0.000 1.378 344 T N -2.731 111.847 114.554 0.041 0.000 3.035 344 T HA -0.090 4.260 4.350 0.001 0.000 0.268 344 T C 1.844 176.534 174.700 -0.016 0.000 1.109 344 T CA 1.298 63.386 62.100 -0.019 0.000 1.119 344 T CB -0.899 67.951 68.868 -0.029 0.000 0.900 344 T HN 0.193 nan 8.240 nan 0.000 0.503 345 S N 1.973 117.679 115.700 0.009 0.000 2.371 345 S HA -0.122 4.349 4.470 0.001 0.000 0.224 345 S C 2.153 176.755 174.600 0.003 0.000 1.029 345 S CA 0.429 58.633 58.200 0.007 0.000 0.978 345 S CB -0.603 62.604 63.200 0.012 0.000 0.833 345 S HN 0.561 nan 8.310 nan 0.000 0.466 346 Q N 0.598 120.403 119.800 0.009 0.000 2.291 346 Q HA 0.117 4.457 4.340 0.001 0.000 0.205 346 Q C 2.094 178.096 176.000 0.004 0.000 0.970 346 Q CA 0.945 56.755 55.803 0.010 0.000 0.876 346 Q CB -0.423 28.328 28.738 0.021 0.000 0.935 346 Q HN 0.641 nan 8.270 nan 0.000 0.455 347 I N -0.285 120.279 120.570 -0.010 0.000 2.252 347 I HA -0.235 3.936 4.170 0.001 0.000 0.245 347 I C 2.158 178.260 176.117 -0.024 0.000 1.102 347 I CA 0.841 62.124 61.300 -0.029 0.000 1.385 347 I CB -0.185 37.757 38.000 -0.096 0.000 1.064 347 I HN -0.003 nan 8.210 nan 0.000 0.414 348 V N 0.903 120.802 119.914 -0.025 0.000 2.323 348 V HA -0.143 3.977 4.120 0.001 0.000 0.244 348 V C 2.623 178.710 176.094 -0.011 0.000 1.041 348 V CA 2.083 64.374 62.300 -0.015 0.000 1.025 348 V CB -1.445 30.371 31.823 -0.012 0.000 0.656 348 V HN 0.538 nan 8.190 nan 0.000 0.451 349 G N -0.071 108.725 108.800 -0.008 0.000 2.491 349 G HA2 -0.279 3.682 3.960 0.001 0.000 0.218 349 G HA3 -0.279 3.682 3.960 0.001 0.000 0.218 349 G C 1.702 176.595 174.900 -0.011 0.000 1.180 349 G CA 1.779 46.875 45.100 -0.007 0.000 0.774 349 G HN 0.465 nan 8.290 nan 0.000 0.562 350 T N 0.476 115.026 114.554 -0.006 0.000 2.674 350 T HA -0.167 4.184 4.350 0.001 0.000 0.265 350 T C 2.351 177.041 174.700 -0.015 0.000 1.039 350 T CA 1.727 63.823 62.100 -0.005 0.000 1.150 350 T CB -0.297 68.574 68.868 0.005 0.000 0.864 350 T HN 0.318 nan 8.240 nan 0.000 0.427 351 Q N 1.315 121.107 119.800 -0.013 0.000 2.112 351 Q HA -0.063 4.277 4.340 0.001 0.000 0.206 351 Q C 2.232 178.183 176.000 -0.081 0.000 0.987 351 Q CA 1.987 57.776 55.803 -0.024 0.000 0.858 351 Q CB -0.733 28.017 28.738 0.020 0.000 0.905 351 Q HN 0.538 nan 8.270 nan 0.000 0.420 352 A N -0.907 121.872 122.820 -0.069 0.000 1.898 352 A HA -0.093 4.227 4.320 0.001 0.000 0.216 352 A C 2.288 179.825 177.584 -0.079 0.000 1.181 352 A CA 1.451 53.434 52.037 -0.090 0.000 0.620 352 A CB -0.777 18.189 19.000 -0.056 0.000 0.819 352 A HN 0.264 nan 8.150 nan 0.000 0.442 353 V N 0.425 120.309 119.914 -0.051 0.000 2.295 353 V HA -0.293 3.827 4.120 0.001 0.000 0.246 353 V C 2.438 178.504 176.094 -0.047 0.000 1.049 353 V CA 2.109 64.385 62.300 -0.039 0.000 1.024 353 V CB -0.699 31.111 31.823 -0.022 0.000 0.648 353 V HN 0.576 nan 8.190 nan 0.000 0.447 354 I N 0.362 120.902 120.570 -0.051 0.000 2.127 354 I HA -0.277 3.893 4.170 0.001 0.000 0.241 354 I C 2.419 178.488 176.117 -0.079 0.000 1.075 354 I CA 1.774 63.043 61.300 -0.052 0.000 1.334 354 I CB -0.675 37.299 38.000 -0.043 0.000 1.040 354 I HN 0.351 nan 8.210 nan 0.000 0.405 355 N N 0.581 119.202 118.700 -0.132 0.000 2.132 355 N HA -0.159 4.581 4.740 0.001 0.000 0.191 355 N C 1.790 177.228 175.510 -0.119 0.000 1.015 355 N CA 1.328 54.269 53.050 -0.182 0.000 0.864 355 N CB -0.573 37.728 38.487 -0.309 0.000 1.006 355 N HN 0.219 nan 8.380 nan 0.000 0.430 356 V N 0.108 119.967 119.914 -0.091 0.000 2.346 356 V HA -0.076 4.045 4.120 0.001 0.000 0.244 356 V C 2.377 178.445 176.094 -0.045 0.000 1.037 356 V CA 0.844 63.107 62.300 -0.062 0.000 1.029 356 V CB -0.409 31.384 31.823 -0.050 0.000 0.663 356 V HN 0.040 nan 8.190 nan 0.000 0.454 357 V N 0.101 119.991 119.914 -0.040 0.000 2.407 357 V HA -0.233 3.887 4.120 0.001 0.000 0.248 357 V C 2.279 178.358 176.094 -0.026 0.000 1.055 357 V CA 1.853 64.136 62.300 -0.027 0.000 1.049 357 V CB -0.501 31.309 31.823 -0.022 0.000 0.662 357 V HN 0.441 nan 8.190 nan 0.000 0.455 358 L N -0.154 121.050 121.223 -0.032 0.000 2.156 358 L HA 0.117 4.457 4.340 0.001 0.000 0.208 358 L C 2.023 178.878 176.870 -0.025 0.000 1.095 358 L CA 1.229 56.054 54.840 -0.026 0.000 0.770 358 L CB -0.683 41.359 42.059 -0.028 0.000 0.914 358 L HN 0.574 nan 8.230 nan 0.000 0.439 359 G N 0.269 109.049 108.800 -0.033 0.000 2.175 359 G HA2 -0.303 3.658 3.960 0.001 0.000 0.244 359 G HA3 -0.303 3.658 3.960 0.001 0.000 0.244 359 G C 0.145 175.027 174.900 -0.030 0.000 0.982 359 G CA 0.280 45.363 45.100 -0.028 0.000 0.641 359 G HN 0.433 nan 8.290 nan 0.000 0.527 360 E N 0.293 120.471 120.200 -0.036 0.000 2.246 360 E HA 0.568 4.918 4.350 0.001 0.000 0.266 360 E C 0.318 176.880 176.600 -0.064 0.000 0.880 360 E CA -1.044 55.337 56.400 -0.032 0.000 0.762 360 E CB 0.858 30.552 29.700 -0.009 0.000 1.180 360 E HN 0.344 nan 8.360 nan 0.000 0.416 361 R N 3.590 124.043 120.500 -0.078 0.000 2.351 361 R HA 0.092 4.433 4.340 0.001 0.000 0.318 361 R C -0.659 175.592 176.300 -0.082 0.000 1.055 361 R CA -0.011 55.970 56.100 -0.198 0.000 0.968 361 R CB -0.087 30.124 30.300 -0.148 0.000 0.974 361 R HN 0.671 nan 8.270 nan 0.000 0.439 362 Y N -0.227 120.063 120.300 -0.017 0.000 3.929 362 Y HA -0.319 4.232 4.550 0.001 0.000 0.225 362 Y C 1.477 177.369 175.900 -0.013 0.000 1.200 362 Y CA 0.367 58.456 58.100 -0.017 0.000 1.791 362 Y CB -1.363 37.084 38.460 -0.021 0.000 1.561 362 Y HN 0.631 nan 8.280 nan 0.000 0.657 363 K N 0.336 120.774 120.400 0.062 0.000 2.057 363 K HA -0.028 4.292 4.320 0.001 0.000 0.207 363 K C 0.319 176.948 176.600 0.048 0.000 1.049 363 K CA 1.812 58.124 56.287 0.042 0.000 0.931 363 K CB 0.050 32.556 32.500 0.010 0.000 0.714 363 K HN 0.364 nan 8.250 nan 0.000 0.440 364 T N 1.173 115.754 114.554 0.045 0.000 2.812 364 T HA 0.484 4.835 4.350 0.001 0.000 0.282 364 T C -0.118 174.631 174.700 0.081 0.000 0.990 364 T CA -0.554 61.575 62.100 0.047 0.000 0.960 364 T CB 1.630 70.512 68.868 0.023 0.000 0.948 364 T HN -0.047 nan 8.240 nan 0.000 0.438 365 I N 3.443 124.065 120.570 0.088 0.000 2.336 365 I HA 0.321 4.491 4.170 0.001 0.000 0.292 365 I C 1.175 177.329 176.117 0.063 0.000 0.991 365 I CA -0.859 60.504 61.300 0.104 0.000 1.227 365 I CB 1.456 39.503 38.000 0.078 0.000 1.366 365 I HN 0.633 nan 8.210 nan 0.000 0.466 366 T N 1.607 116.198 114.554 0.062 0.000 2.868 366 T HA 0.132 4.483 4.350 0.001 0.000 0.292 366 T C 1.040 175.769 174.700 0.047 0.000 1.028 366 T CA -0.735 61.392 62.100 0.046 0.000 1.059 366 T CB 1.535 70.428 68.868 0.041 0.000 0.991 366 T HN 0.662 nan 8.240 nan 0.000 0.531 367 K N 0.404 120.832 120.400 0.047 0.000 2.113 367 K HA -0.206 4.114 4.320 0.001 0.000 0.208 367 K C 1.742 178.396 176.600 0.090 0.000 1.047 367 K CA 1.839 58.158 56.287 0.054 0.000 0.928 367 K CB -0.103 32.425 32.500 0.046 0.000 0.716 367 K HN 0.697 nan 8.250 nan 0.000 0.446 368 E N -0.811 119.448 120.200 0.099 0.000 2.170 368 E HA -0.045 4.305 4.350 0.001 0.000 0.191 368 E C 1.831 178.461 176.600 0.051 0.000 0.981 368 E CA 1.301 57.787 56.400 0.143 0.000 0.830 368 E CB -0.000 29.765 29.700 0.108 0.000 0.775 368 E HN 0.244 nan 8.360 nan 0.000 0.470 369 T N -0.043 114.526 114.554 0.025 0.000 2.821 369 T HA -0.094 4.256 4.350 0.001 0.000 0.267 369 T C 2.006 176.708 174.700 0.004 0.000 1.046 369 T CA 1.237 63.336 62.100 -0.001 0.000 1.139 369 T CB -0.246 68.648 68.868 0.043 0.000 0.871 369 T HN 0.030 nan 8.240 nan 0.000 0.454 370 S N 1.032 116.751 115.700 0.031 0.000 2.359 370 S HA -0.070 4.401 4.470 0.001 0.000 0.224 370 S C 2.472 177.105 174.600 0.055 0.000 1.035 370 S CA 1.256 59.471 58.200 0.026 0.000 1.018 370 S CB -0.901 62.315 63.200 0.027 0.000 0.876 370 S HN 0.654 nan 8.310 nan 0.000 0.448 371 G N 0.937 109.820 108.800 0.137 0.000 2.442 371 G HA2 -0.158 3.802 3.960 0.001 0.000 0.219 371 G HA3 -0.158 3.802 3.960 0.001 0.000 0.219 371 G C 1.420 176.500 174.900 0.301 0.000 1.141 371 G CA 1.038 46.298 45.100 0.265 0.000 0.763 371 G HN 0.439 nan 8.290 nan 0.000 0.554 372 V N 0.664 120.634 119.914 0.094 0.000 2.379 372 V HA -0.046 4.075 4.120 0.001 0.000 0.245 372 V C 2.866 178.947 176.094 -0.020 0.000 1.044 372 V CA 1.242 63.507 62.300 -0.059 0.000 1.036 372 V CB -0.287 31.395 31.823 -0.234 0.000 0.664 372 V HN 0.333 nan 8.190 nan 0.000 0.453 373 L N -0.533 120.673 121.223 -0.027 0.000 2.093 373 L HA -0.138 4.202 4.340 0.001 0.000 0.208 373 L C 2.396 179.252 176.870 -0.024 0.000 1.085 373 L CA 1.553 56.367 54.840 -0.044 0.000 0.755 373 L CB -0.491 41.528 42.059 -0.067 0.000 0.904 373 L HN 0.224 nan 8.230 nan 0.000 0.435 374 K N -0.197 120.203 120.400 0.000 0.000 2.432 374 K HA 0.070 4.390 4.320 0.001 0.000 0.196 374 K C 1.178 177.776 176.600 -0.004 0.000 1.038 374 K CA 0.627 56.911 56.287 -0.006 0.000 0.986 374 K CB 0.112 32.609 32.500 -0.005 0.000 0.782 374 K HN 0.395 nan 8.250 nan 0.000 0.485 375 G N 1.571 110.383 108.800 0.020 0.000 2.136 375 G HA2 -0.278 3.682 3.960 0.001 0.000 0.242 375 G HA3 -0.278 3.682 3.960 0.001 0.000 0.242 375 G C 0.369 175.273 174.900 0.006 0.000 0.989 375 G CA 0.394 45.505 45.100 0.018 0.000 0.682 375 G HN 0.431 nan 8.290 nan 0.000 0.522 376 E N -1.209 119.003 120.200 0.020 0.000 2.274 376 E HA 0.010 4.360 4.350 0.001 0.000 0.194 376 E C 1.628 178.082 176.600 -0.243 0.000 0.996 376 E CA 0.948 57.277 56.400 -0.118 0.000 0.840 376 E CB -0.013 29.602 29.700 -0.141 0.000 0.772 376 E HN 0.728 nan 8.360 nan 0.000 0.491 377 Y N -0.126 120.096 120.300 -0.130 0.000 2.476 377 Y HA 0.204 4.754 4.550 0.001 0.000 0.283 377 Y C 1.341 177.226 175.900 -0.025 0.000 1.109 377 Y CA 0.684 58.737 58.100 -0.078 0.000 1.246 377 Y CB 0.889 39.342 38.460 -0.011 0.000 1.068 377 Y HN 0.050 nan 8.280 nan 0.000 0.552 378 G N -0.195 108.677 108.800 0.119 0.000 2.302 378 G HA2 -0.068 3.893 3.960 0.001 0.000 0.276 378 G HA3 -0.068 3.893 3.960 0.001 0.000 0.276 378 G C -1.446 173.489 174.900 0.057 0.000 1.316 378 G CA -1.103 44.042 45.100 0.076 0.000 0.988 378 G HN -0.046 nan 8.290 nan 0.000 0.479 379 K N 0.987 121.413 120.400 0.043 0.000 2.297 379 K HA 0.549 4.869 4.320 0.001 0.000 0.286 379 K C 0.946 177.561 176.600 0.026 0.000 1.053 379 K CA 0.300 56.601 56.287 0.023 0.000 0.940 379 K CB 0.436 32.944 32.500 0.012 0.000 1.019 379 K HN 0.848 nan 8.250 nan 0.000 0.475 380 T N 2.007 116.568 114.554 0.011 0.000 2.899 380 T HA 0.192 4.543 4.350 0.001 0.000 0.295 380 T C -1.775 172.927 174.700 0.003 0.000 1.033 380 T CA -1.652 60.456 62.100 0.013 0.000 1.084 380 T CB 1.073 69.937 68.868 -0.006 0.000 0.979 380 T HN 0.406 nan 8.240 nan 0.000 0.532 381 P HA 0.046 nan 4.420 nan 0.000 0.216 381 P C 0.174 177.425 177.300 -0.082 0.000 1.153 381 P CA 1.265 64.316 63.100 -0.082 0.000 0.858 381 P CB -0.008 31.600 31.700 -0.153 0.000 0.789 382 A N -2.041 120.781 122.820 0.003 0.000 2.413 382 A HA 0.608 4.928 4.320 0.001 0.000 0.307 382 A C -2.725 174.857 177.584 -0.002 0.000 1.087 382 A CA -2.129 49.918 52.037 0.017 0.000 0.750 382 A CB 0.304 19.377 19.000 0.121 0.000 1.296 382 A HN -0.185 nan 8.150 nan 0.000 0.423 383 P HA 0.075 nan 4.420 nan 0.000 0.259 383 P C 0.576 177.844 177.300 -0.055 0.000 1.155 383 P CA 0.429 63.510 63.100 -0.032 0.000 0.759 383 P CB -0.039 31.644 31.700 -0.028 0.000 0.753 384 V N 1.509 121.381 119.914 -0.069 0.000 3.611 384 V HA 0.117 4.237 4.120 0.001 0.000 0.296 384 V C 0.836 176.867 176.094 -0.105 0.000 1.091 384 V CA -0.622 61.617 62.300 -0.101 0.000 1.103 384 V CB 0.207 31.972 31.823 -0.098 0.000 1.157 384 V HN 0.510 nan 8.190 nan 0.000 0.471 385 N N 0.655 119.276 118.700 -0.132 0.000 2.475 385 N HA 0.062 4.802 4.740 0.001 0.000 0.267 385 N C -0.482 174.961 175.510 -0.113 0.000 1.169 385 N CA 0.326 53.301 53.050 -0.126 0.000 0.947 385 N CB 0.931 39.322 38.487 -0.160 0.000 1.061 385 N HN 0.983 nan 8.380 nan 0.000 0.466 386 T N 1.997 116.499 114.554 -0.085 0.000 2.797 386 T HA 0.179 4.529 4.350 0.001 0.000 0.279 386 T C -0.175 174.485 174.700 -0.067 0.000 0.991 386 T CA -0.747 61.309 62.100 -0.073 0.000 0.979 386 T CB 0.400 69.236 68.868 -0.054 0.000 0.943 386 T HN 0.576 nan 8.240 nan 0.000 0.444 387 E N 6.083 126.242 120.200 -0.068 0.000 2.597 387 E HA 0.246 4.596 4.350 0.001 0.000 0.235 387 E C 0.574 177.115 176.600 -0.099 0.000 1.155 387 E CA -0.338 56.019 56.400 -0.073 0.000 1.199 387 E CB 0.292 29.960 29.700 -0.053 0.000 1.409 387 E HN 0.556 nan 8.360 nan 0.000 0.453 388 L N 0.585 121.722 121.223 -0.143 0.000 2.202 388 L HA -0.089 4.251 4.340 0.001 0.000 0.205 388 L C 2.777 179.553 176.870 -0.156 0.000 1.083 388 L CA 0.862 55.580 54.840 -0.204 0.000 0.790 388 L CB -0.056 41.791 42.059 -0.352 0.000 0.942 388 L HN 0.451 nan 8.230 nan 0.000 0.452 389 Q N 0.151 119.875 119.800 -0.127 0.000 2.096 389 Q HA -0.246 4.094 4.340 0.001 0.000 0.204 389 Q C 2.093 178.051 176.000 -0.069 0.000 0.982 389 Q CA 1.941 57.690 55.803 -0.092 0.000 0.850 389 Q CB -0.055 28.636 28.738 -0.077 0.000 0.901 389 Q HN 0.532 nan 8.270 nan 0.000 0.422 390 A N 0.550 123.331 122.820 -0.065 0.000 2.119 390 A HA -0.081 4.239 4.320 0.001 0.000 0.217 390 A C 1.986 179.542 177.584 -0.046 0.000 1.153 390 A CA 0.599 52.606 52.037 -0.049 0.000 0.692 390 A CB -0.371 18.603 19.000 -0.043 0.000 0.799 390 A HN 0.254 nan 8.150 nan 0.000 0.458 391 R N -0.329 120.137 120.500 -0.057 0.000 2.189 391 R HA -0.012 4.328 4.340 0.001 0.000 0.218 391 R C 1.234 177.510 176.300 -0.040 0.000 1.074 391 R CA 1.363 57.434 56.100 -0.048 0.000 0.991 391 R CB -0.008 30.256 30.300 -0.060 0.000 0.883 391 R HN 0.398 nan 8.270 nan 0.000 0.457 392 V N 0.188 120.076 119.914 -0.045 0.000 2.949 392 V HA -0.058 4.062 4.120 0.001 0.000 0.245 392 V C 2.101 178.179 176.094 -0.026 0.000 1.086 392 V CA 0.547 62.826 62.300 -0.034 0.000 1.097 392 V CB 0.021 31.820 31.823 -0.039 0.000 0.762 392 V HN 0.172 nan 8.190 nan 0.000 0.470 393 L N -0.051 121.154 121.223 -0.029 0.000 1.988 393 L HA 0.059 4.399 4.340 0.001 0.000 0.207 393 L C 1.953 178.809 176.870 -0.022 0.000 1.071 393 L CA 2.133 56.958 54.840 -0.026 0.000 0.744 393 L CB -0.233 41.810 42.059 -0.028 0.000 0.893 393 L HN 0.418 nan 8.230 nan 0.000 0.433 394 A N -2.085 120.722 122.820 -0.021 0.000 1.902 394 A HA 0.185 4.505 4.320 0.001 0.000 0.171 394 A C 0.976 178.550 177.584 -0.017 0.000 2.094 394 A CA 0.264 52.290 52.037 -0.018 0.000 1.626 394 A CB -0.959 18.031 19.000 -0.017 0.000 1.568 394 A HN 0.231 nan 8.150 nan 0.000 0.280 395 G N 0.961 109.750 108.800 -0.018 0.000 2.338 395 G HA2 0.655 4.615 3.960 0.001 0.000 0.295 395 G HA3 0.655 4.615 3.960 0.001 0.000 0.295 395 G C 0.136 175.023 174.900 -0.020 0.000 1.132 395 G CA 0.782 45.869 45.100 -0.021 0.000 0.922 395 G HN 1.148 nan 8.290 nan 0.000 0.427 396 A N 2.404 125.211 122.820 -0.022 0.000 2.420 396 A HA 0.776 5.096 4.320 0.001 0.000 0.291 396 A C 0.295 177.865 177.584 -0.023 0.000 1.228 396 A CA -0.664 51.360 52.037 -0.021 0.000 0.933 396 A CB 0.923 19.910 19.000 -0.022 0.000 1.428 396 A HN 0.579 nan 8.150 nan 0.000 0.493 397 E N -0.178 120.008 120.200 -0.023 0.000 2.242 397 E HA 0.512 4.863 4.350 0.001 0.000 0.275 397 E C -0.051 176.534 176.600 -0.025 0.000 1.002 397 E CA -0.446 55.940 56.400 -0.024 0.000 0.841 397 E CB 1.547 31.235 29.700 -0.021 0.000 1.109 397 E HN 0.763 nan 8.360 nan 0.000 0.394 398 A N 3.886 126.690 122.820 -0.026 0.000 2.466 398 A HA 0.164 4.484 4.320 0.001 0.000 0.238 398 A C 0.227 177.795 177.584 -0.027 0.000 1.074 398 A CA -0.080 51.941 52.037 -0.027 0.000 0.774 398 A CB 0.045 19.028 19.000 -0.027 0.000 1.015 398 A HN 0.629 nan 8.150 nan 0.000 0.498 399 I N 1.527 122.080 120.570 -0.029 0.000 2.452 399 I HA 0.122 4.292 4.170 0.001 0.000 0.287 399 I C 1.230 177.331 176.117 -0.026 0.000 1.079 399 I CA 0.601 61.882 61.300 -0.032 0.000 1.387 399 I CB 1.025 38.999 38.000 -0.045 0.000 1.404 399 I HN 0.801 nan 8.210 nan 0.000 0.522 400 T N 0.824 115.364 114.554 -0.024 0.000 3.145 400 T HA 0.189 4.539 4.350 0.001 0.000 0.281 400 T C 0.162 174.853 174.700 -0.016 0.000 1.003 400 T CA -0.530 61.559 62.100 -0.018 0.000 0.901 400 T CB -0.390 68.467 68.868 -0.017 0.000 1.112 400 T HN 0.685 nan 8.240 nan 0.000 0.535 401 C N 1.031 120.319 119.300 -0.021 0.000 2.531 401 C HA 0.762 5.223 4.460 0.001 0.000 0.369 401 C C 0.713 175.693 174.990 -0.017 0.000 1.258 401 C CA -1.511 57.496 59.018 -0.017 0.000 1.876 401 C CB 1.206 28.934 27.740 -0.020 0.000 2.256 401 C HN 0.614 nan 8.230 nan 0.000 0.510 402 R N 1.907 122.402 120.500 -0.007 0.000 2.446 402 R HA 0.153 4.493 4.340 0.001 0.000 0.314 402 R C -1.658 174.633 176.300 -0.014 0.000 1.003 402 R CA -0.439 55.664 56.100 0.004 0.000 1.018 402 R CB 0.348 30.657 30.300 0.014 0.000 0.945 402 R HN 0.577 nan 8.270 nan 0.000 0.419 403 P HA -0.172 nan 4.420 nan 0.000 0.216 403 P C 0.626 177.892 177.300 -0.057 0.000 1.150 403 P CA 1.776 64.801 63.100 -0.124 0.000 0.843 403 P CB 0.124 31.593 31.700 -0.385 0.000 0.787 404 A N -0.613 122.229 122.820 0.036 0.000 2.216 404 A HA -0.154 4.166 4.320 0.001 0.000 0.214 404 A C 1.677 179.260 177.584 -0.000 0.000 1.160 404 A CA 1.346 53.401 52.037 0.031 0.000 0.725 404 A CB -1.090 17.941 19.000 0.051 0.000 0.784 404 A HN 0.086 nan 8.150 nan 0.000 0.472 405 D N 0.010 120.404 120.400 -0.010 0.000 2.219 405 D HA -0.058 4.583 4.640 0.001 0.000 0.205 405 D C 1.504 177.790 176.300 -0.023 0.000 0.970 405 D CA 0.955 54.947 54.000 -0.014 0.000 0.851 405 D CB -0.055 40.736 40.800 -0.016 0.000 0.943 405 D HN 0.525 nan 8.370 nan 0.000 0.488 406 L N 0.091 121.292 121.223 -0.036 0.000 2.607 406 L HA 0.252 4.592 4.340 0.001 0.000 0.228 406 L C 0.566 177.409 176.870 -0.045 0.000 1.123 406 L CA -0.051 54.763 54.840 -0.043 0.000 0.890 406 L CB 0.353 42.377 42.059 -0.059 0.000 1.103 406 L HN -0.173 nan 8.230 nan 0.000 0.468 407 I N 0.630 121.176 120.570 -0.041 0.000 2.353 407 I HA 0.359 4.530 4.170 0.001 0.000 0.293 407 I C 0.657 176.762 176.117 -0.021 0.000 0.992 407 I CA -0.430 60.846 61.300 -0.040 0.000 1.268 407 I CB 1.403 39.374 38.000 -0.048 0.000 1.387 407 I HN -0.069 nan 8.210 nan 0.000 0.478 408 A N 4.901 127.710 122.820 -0.018 0.000 2.351 408 A HA 0.682 5.002 4.320 0.001 0.000 0.257 408 A C 0.448 178.034 177.584 0.004 0.000 1.087 408 A CA -0.486 51.547 52.037 -0.006 0.000 0.798 408 A CB 0.442 19.439 19.000 -0.005 0.000 1.033 408 A HN 0.862 nan 8.150 nan 0.000 0.488 409 A N 0.951 123.776 122.820 0.010 0.000 2.546 409 A HA 0.311 4.631 4.320 0.001 0.000 0.243 409 A C 0.724 178.324 177.584 0.026 0.000 1.063 409 A CA 0.360 52.408 52.037 0.018 0.000 0.757 409 A CB -0.161 18.848 19.000 0.016 0.000 0.991 409 A HN 0.884 nan 8.150 nan 0.000 0.503 410 E N 2.241 122.464 120.200 0.039 0.000 2.372 410 E HA -0.040 4.310 4.350 0.001 0.000 0.201 410 E C 1.307 177.939 176.600 0.054 0.000 0.938 410 E CA 0.023 56.454 56.400 0.052 0.000 0.944 410 E CB -0.098 29.648 29.700 0.076 0.000 0.937 410 E HN 0.755 nan 8.360 nan 0.000 0.495 411 M N 0.908 120.536 119.600 0.047 0.000 2.117 411 M HA -0.059 4.422 4.480 0.001 0.000 0.262 411 M C -0.725 175.597 176.300 0.037 0.000 1.065 411 M CA 1.495 56.821 55.300 0.042 0.000 1.114 411 M CB -1.938 30.682 32.600 0.033 0.000 1.361 411 M HN -0.023 nan 8.290 nan 0.000 0.408 412 P HA -0.096 nan 4.420 nan 0.000 0.216 412 P C 1.584 178.907 177.300 0.037 0.000 1.153 412 P CA 1.931 65.049 63.100 0.029 0.000 0.848 412 P CB -0.410 31.304 31.700 0.023 0.000 0.787 413 T N -3.721 110.858 114.554 0.042 0.000 3.055 413 T HA 0.005 4.356 4.350 0.001 0.000 0.265 413 T C 1.592 176.332 174.700 0.067 0.000 1.111 413 T CA 0.615 62.745 62.100 0.049 0.000 1.118 413 T CB -0.769 68.125 68.868 0.044 0.000 0.909 413 T HN -0.168 nan 8.240 nan 0.000 0.501 414 L N 0.811 122.077 121.223 0.072 0.000 2.127 414 L HA 0.279 4.620 4.340 0.001 0.000 0.203 414 L C 2.918 179.840 176.870 0.087 0.000 1.080 414 L CA 1.385 56.280 54.840 0.091 0.000 0.768 414 L CB -1.030 41.084 42.059 0.092 0.000 0.924 414 L HN 0.305 nan 8.230 nan 0.000 0.444 415 Q N -0.261 119.576 119.800 0.062 0.000 2.061 415 Q HA -0.253 4.087 4.340 0.001 0.000 0.204 415 Q C 1.595 177.633 176.000 0.064 0.000 0.984 415 Q CA 2.161 57.995 55.803 0.052 0.000 0.846 415 Q CB 0.090 28.847 28.738 0.032 0.000 0.902 415 Q HN 0.453 nan 8.270 nan 0.000 0.421 416 D N -0.525 119.911 120.400 0.060 0.000 2.084 416 D HA -0.152 4.489 4.640 0.001 0.000 0.196 416 D C 1.826 178.176 176.300 0.083 0.000 0.985 416 D CA 1.133 55.169 54.000 0.060 0.000 0.826 416 D CB -0.205 40.622 40.800 0.046 0.000 0.978 416 D HN 0.172 nan 8.370 nan 0.000 0.456 417 R N 0.486 121.047 120.500 0.101 0.000 2.094 417 R HA -0.158 4.182 4.340 0.001 0.000 0.239 417 R C 2.037 178.463 176.300 0.209 0.000 1.137 417 R CA 1.354 57.534 56.100 0.135 0.000 0.943 417 R CB -0.411 29.979 30.300 0.150 0.000 0.850 417 R HN 0.063 nan 8.270 nan 0.000 0.433 418 V N 1.142 121.202 119.914 0.244 0.000 2.295 418 V HA -0.247 3.873 4.120 0.001 0.000 0.246 418 V C 2.376 178.641 176.094 0.285 0.000 1.049 418 V CA 1.771 64.281 62.300 0.349 0.000 1.024 418 V CB -0.421 31.499 31.823 0.162 0.000 0.648 418 V HN 0.355 nan 8.190 nan 0.000 0.447 419 L N -0.476 120.841 121.223 0.157 0.000 2.083 419 L HA -0.191 4.150 4.340 0.001 0.000 0.209 419 L C 2.694 179.619 176.870 0.091 0.000 1.083 419 L CA 1.472 56.377 54.840 0.109 0.000 0.752 419 L CB -0.479 41.619 42.059 0.065 0.000 0.899 419 L HN 0.371 nan 8.230 nan 0.000 0.433 420 Q N -0.201 119.649 119.800 0.083 0.000 2.096 420 Q HA -0.209 4.132 4.340 0.001 0.000 0.197 420 Q C 2.117 178.128 176.000 0.018 0.000 0.964 420 Q CA 1.337 57.163 55.803 0.039 0.000 0.838 420 Q CB 0.089 28.844 28.738 0.029 0.000 0.906 420 Q HN 0.519 nan 8.270 nan 0.000 0.444 421 Q N -0.526 119.299 119.800 0.041 0.000 2.167 421 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 421 Q C 1.787 177.767 176.000 -0.034 0.000 0.970 421 Q CA 1.186 56.946 55.803 -0.073 0.000 0.855 421 Q CB 0.034 28.632 28.738 -0.233 0.000 0.911 421 Q HN 0.375 nan 8.270 nan 0.000 0.438 422 A N 0.941 123.850 122.820 0.147 0.000 1.898 422 A HA -0.186 4.135 4.320 0.001 0.000 0.216 422 A C 1.975 179.587 177.584 0.046 0.000 1.181 422 A CA 1.558 53.701 52.037 0.178 0.000 0.620 422 A CB -0.378 18.756 19.000 0.224 0.000 0.819 422 A HN 0.284 nan 8.150 nan 0.000 0.442 423 K N -0.396 120.003 120.400 -0.002 0.000 2.167 423 K HA -0.061 4.259 4.320 0.001 0.000 0.203 423 K C 1.712 178.191 176.600 -0.201 0.000 1.052 423 K CA 1.145 57.385 56.287 -0.078 0.000 0.956 423 K CB -0.073 32.397 32.500 -0.050 0.000 0.735 423 K HN 0.558 nan 8.250 nan 0.000 0.451 424 E N 0.097 120.207 120.200 -0.151 0.000 2.358 424 E HA -0.119 4.231 4.350 0.001 0.000 0.195 424 E C 1.021 177.510 176.600 -0.186 0.000 1.010 424 E CA 0.683 56.976 56.400 -0.178 0.000 0.856 424 E CB 0.324 29.957 29.700 -0.111 0.000 0.795 424 E HN 0.398 nan 8.360 nan 0.000 0.504 425 Q N -0.411 119.306 119.800 -0.138 0.000 2.198 425 Q HA 0.070 4.411 4.340 0.001 0.000 0.209 425 Q C -0.646 175.388 176.000 0.056 0.000 0.848 425 Q CA -0.169 55.605 55.803 -0.049 0.000 0.974 425 Q CB 0.638 29.334 28.738 -0.069 0.000 1.115 425 Q HN 0.279 nan 8.270 nan 0.000 0.494 426 H N -0.403 118.674 119.070 0.012 0.000 2.770 426 H HA -0.172 4.384 4.556 0.001 0.000 0.309 426 H C -0.611 174.734 175.328 0.028 0.000 1.206 426 H CA 0.750 56.809 56.048 0.017 0.000 1.147 426 H CB -1.820 27.947 29.762 0.008 0.000 1.422 426 H HN 0.327 nan 8.280 nan 0.000 0.420 427 I N 1.691 122.328 120.570 0.112 0.000 2.330 427 I HA 0.069 4.239 4.170 0.001 0.000 0.289 427 I C 0.721 176.893 176.117 0.091 0.000 1.001 427 I CA -0.231 61.135 61.300 0.110 0.000 1.193 427 I CB 1.454 39.549 38.000 0.159 0.000 1.345 427 I HN -0.022 nan 8.210 nan 0.000 0.461 428 T N 7.351 121.944 114.554 0.065 0.000 2.834 428 T HA 0.313 4.663 4.350 0.001 0.000 0.298 428 T C 0.316 175.041 174.700 0.042 0.000 0.966 428 T CA -0.122 62.007 62.100 0.048 0.000 1.141 428 T CB 0.226 69.114 68.868 0.032 0.000 0.905 428 T HN 0.279 nan 8.240 nan 0.000 0.535 429 L N 1.934 123.183 121.223 0.044 0.000 2.448 429 L HA 0.666 5.006 4.340 0.001 0.000 0.258 429 L C 1.029 177.913 176.870 0.022 0.000 1.104 429 L CA -1.267 53.595 54.840 0.037 0.000 0.800 429 L CB 0.474 42.556 42.059 0.039 0.000 1.241 429 L HN 0.636 nan 8.230 nan 0.000 0.472 430 A N -0.073 122.756 122.820 0.016 0.000 2.313 430 A HA 0.116 4.437 4.320 0.001 0.000 0.261 430 A C 1.078 178.657 177.584 -0.009 0.000 1.090 430 A CA -0.185 51.856 52.037 0.008 0.000 0.807 430 A CB 0.342 19.344 19.000 0.003 0.000 1.055 430 A HN 0.915 nan 8.150 nan 0.000 0.492 431 E N 0.347 120.541 120.200 -0.010 0.000 2.086 431 E HA -0.229 4.122 4.350 0.001 0.000 0.200 431 E C -0.141 176.438 176.600 -0.034 0.000 1.012 431 E CA 1.769 58.159 56.400 -0.017 0.000 0.812 431 E CB -0.112 29.580 29.700 -0.014 0.000 0.743 431 E HN 0.748 nan 8.360 nan 0.000 0.453 432 N N -0.697 117.968 118.700 -0.058 0.000 2.589 432 N HA 0.216 4.956 4.740 0.001 0.000 0.232 432 N C -0.112 175.332 175.510 -0.109 0.000 1.015 432 N CA -0.098 52.899 53.050 -0.088 0.000 0.931 432 N CB 1.679 40.093 38.487 -0.123 0.000 1.150 432 N HN 0.081 nan 8.380 nan 0.000 0.512 433 A N 1.915 124.691 122.820 -0.073 0.000 2.121 433 A HA -0.109 4.212 4.320 0.001 0.000 0.218 433 A C 1.923 179.456 177.584 -0.085 0.000 1.154 433 A CA 0.706 52.708 52.037 -0.058 0.000 0.679 433 A CB -0.369 18.618 19.000 -0.020 0.000 0.795 433 A HN 0.694 nan 8.150 nan 0.000 0.458 434 I N -0.001 120.498 120.570 -0.118 0.000 2.454 434 I HA -0.191 3.979 4.170 0.001 0.000 0.254 434 I C 1.361 177.345 176.117 -0.223 0.000 1.156 434 I CA 1.510 62.731 61.300 -0.132 0.000 1.433 434 I CB -0.156 37.772 38.000 -0.121 0.000 1.082 434 I HN 0.223 nan 8.210 nan 0.000 0.432 435 D N 0.733 120.898 120.400 -0.391 0.000 2.117 435 D HA -0.173 4.467 4.640 0.001 0.000 0.197 435 D C 1.754 177.897 176.300 -0.262 0.000 0.987 435 D CA 1.350 54.882 54.000 -0.780 0.000 0.829 435 D CB -0.317 39.829 40.800 -1.089 0.000 0.961 435 D HN 0.388 nan 8.370 nan 0.000 0.460 436 D N 0.106 120.457 120.400 -0.081 0.000 2.144 436 D HA -0.081 4.559 4.640 0.001 0.000 0.200 436 D C 2.288 178.603 176.300 0.026 0.000 0.978 436 D CA 0.336 54.373 54.000 0.062 0.000 0.833 436 D CB -0.198 40.615 40.800 0.022 0.000 0.961 436 D HN 0.075 nan 8.370 nan 0.000 0.470 437 V N 1.241 121.146 119.914 -0.014 0.000 2.407 437 V HA -0.210 3.910 4.120 0.001 0.000 0.248 437 V C 2.611 178.736 176.094 0.051 0.000 1.055 437 V CA 1.087 63.384 62.300 -0.005 0.000 1.049 437 V CB -0.426 31.397 31.823 0.001 0.000 0.662 437 V HN 0.191 nan 8.190 nan 0.000 0.455 438 L N -0.545 120.743 121.223 0.108 0.000 2.027 438 L HA -0.150 4.191 4.340 0.001 0.000 0.206 438 L C 2.668 179.748 176.870 0.349 0.000 1.074 438 L CA 1.903 56.891 54.840 0.247 0.000 0.745 438 L CB -0.989 41.316 42.059 0.411 0.000 0.898 438 L HN 0.318 nan 8.230 nan 0.000 0.433 439 T N 0.174 115.035 114.554 0.512 0.000 2.720 439 T HA -0.198 4.152 4.350 0.001 0.000 0.268 439 T C 1.833 176.715 174.700 0.304 0.000 1.037 439 T CA 1.546 63.995 62.100 0.581 0.000 1.144 439 T CB -0.166 69.055 68.868 0.589 0.000 0.864 439 T HN 0.065 nan 8.240 nan 0.000 0.444 440 I N 1.291 121.898 120.570 0.062 0.000 2.286 440 I HA 0.002 4.172 4.170 0.001 0.000 0.245 440 I C 2.633 178.785 176.117 0.058 0.000 1.104 440 I CA 0.638 61.867 61.300 -0.119 0.000 1.397 440 I CB -0.856 36.825 38.000 -0.531 0.000 1.072 440 I HN 0.160 nan 8.210 nan 0.000 0.417 441 A N 0.329 123.203 122.820 0.090 0.000 1.873 441 A HA -0.222 4.099 4.320 0.001 0.000 0.218 441 A C 2.320 180.032 177.584 0.214 0.000 1.193 441 A CA 1.926 54.054 52.037 0.151 0.000 0.629 441 A CB -1.085 17.952 19.000 0.062 0.000 0.826 441 A HN 0.413 nan 8.150 nan 0.000 0.447 442 L N -3.201 118.035 121.223 0.022 0.000 2.156 442 L HA -0.011 4.329 4.340 0.001 0.000 0.208 442 L C 1.540 178.254 176.870 -0.261 0.000 1.095 442 L CA 0.995 55.717 54.840 -0.197 0.000 0.770 442 L CB -0.113 41.648 42.059 -0.496 0.000 0.914 442 L HN 0.437 nan 8.230 nan 0.000 0.439 443 F N -2.263 117.766 119.950 0.131 0.000 2.798 443 F HA 0.150 4.677 4.527 0.001 0.000 0.328 443 F C 1.087 176.909 175.800 0.037 0.000 1.098 443 F CA -0.446 57.599 58.000 0.076 0.000 1.172 443 F CB 0.262 39.293 39.000 0.051 0.000 1.072 443 F HN -0.068 nan 8.300 nan 0.000 0.555 444 D N 1.478 121.992 120.400 0.191 0.000 3.740 444 D HA -0.407 4.233 4.640 0.001 0.000 0.147 444 D C 1.875 178.323 176.300 0.247 0.000 0.885 444 D CA 2.446 56.551 54.000 0.175 0.000 1.051 444 D CB -0.706 40.138 40.800 0.072 0.000 0.480 444 D HN 0.353 nan 8.370 nan 0.000 0.469 445 Q N 0.574 120.528 119.800 0.256 0.000 2.077 445 Q HA -0.130 4.210 4.340 0.001 0.000 0.206 445 Q C 2.231 178.383 176.000 0.252 0.000 0.989 445 Q CA 3.305 59.282 55.803 0.291 0.000 0.853 445 Q CB -0.818 28.017 28.738 0.162 0.000 0.907 445 Q HN 0.423 nan 8.270 nan 0.000 0.418 446 V N 1.264 121.285 119.914 0.179 0.000 2.332 446 V HA -0.234 3.887 4.120 0.001 0.000 0.248 446 V C 2.400 178.585 176.094 0.152 0.000 1.055 446 V CA 1.966 64.342 62.300 0.126 0.000 1.038 446 V CB -1.450 30.424 31.823 0.085 0.000 0.651 446 V HN 0.687 nan 8.190 nan 0.000 0.450 447 G N -1.344 107.563 108.800 0.177 0.000 2.433 447 G HA2 -0.264 3.697 3.960 0.001 0.000 0.216 447 G HA3 -0.264 3.697 3.960 0.001 0.000 0.216 447 G C 1.376 176.371 174.900 0.158 0.000 1.186 447 G CA 0.736 45.925 45.100 0.148 0.000 0.779 447 G HN 0.575 nan 8.290 nan 0.000 0.543 448 W N 0.943 122.353 121.300 0.182 0.000 2.335 448 W HA -0.010 4.650 4.660 0.001 0.000 0.311 448 W C 2.880 179.462 176.519 0.106 0.000 1.213 448 W CA 1.136 58.559 57.345 0.130 0.000 1.274 448 W CB 0.027 29.545 29.460 0.096 0.000 1.148 448 W HN 0.122 nan 8.180 nan 0.000 0.498 449 K N -0.635 119.969 120.400 0.340 0.000 2.044 449 K HA -0.248 4.073 4.320 0.001 0.000 0.210 449 K C 1.872 178.592 176.600 0.199 0.000 1.049 449 K CA 1.930 58.348 56.287 0.218 0.000 0.927 449 K CB -0.782 31.816 32.500 0.164 0.000 0.713 449 K HN 0.149 nan 8.250 nan 0.000 0.443 450 F N 1.707 121.704 119.950 0.078 0.000 2.113 450 F HA -0.111 4.416 4.527 0.001 0.000 0.297 450 F C 1.778 177.621 175.800 0.071 0.000 1.103 450 F CA 1.137 59.163 58.000 0.044 0.000 1.248 450 F CB -0.271 38.726 39.000 -0.005 0.000 0.999 450 F HN -0.109 nan 8.300 nan 0.000 0.475 451 L N 0.277 121.445 121.223 -0.091 0.000 2.079 451 L HA -0.230 4.110 4.340 0.001 0.000 0.210 451 L C 2.762 179.584 176.870 -0.081 0.000 1.081 451 L CA 1.304 56.057 54.840 -0.145 0.000 0.752 451 L CB -1.304 40.805 42.059 0.083 0.000 0.896 451 L HN 0.313 nan 8.230 nan 0.000 0.433 452 A N -0.187 122.660 122.820 0.046 0.000 2.015 452 A HA -0.136 4.184 4.320 0.001 0.000 0.219 452 A C 1.706 179.280 177.584 -0.017 0.000 1.163 452 A CA 1.497 53.566 52.037 0.054 0.000 0.646 452 A CB -0.277 18.786 19.000 0.105 0.000 0.806 452 A HN 0.479 nan 8.150 nan 0.000 0.448 453 N N -1.264 117.387 118.700 -0.083 0.000 2.184 453 N HA 0.086 4.826 4.740 0.001 0.000 0.206 453 N C 0.736 176.147 175.510 -0.166 0.000 1.151 453 N CA -0.090 52.911 53.050 -0.082 0.000 0.878 453 N CB 0.071 38.547 38.487 -0.017 0.000 1.014 453 N HN 0.560 nan 8.380 nan 0.000 0.512 454 R N 0.000 120.291 120.500 -0.348 0.000 2.786 454 R HA 0.000 4.340 4.340 0.001 0.000 0.208 454 R CA 0.000 55.844 56.100 -0.427 0.000 0.921 454 R CB 0.000 29.922 30.300 -0.631 0.000 0.687 454 R HN 0.000 nan 8.270 nan 0.000 0.535