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 2rka_1_C DATA FIRST_RESID 4 DATA SEQUENCE QLHNGLDFSA KVIQGSLDSL PQEVRKFVEG NAQLCQPEYI HICDGSEEEY DATA SEQUENCE GRLLAHMQEE GVIRKLKKYD NCWLALTDPR DVARIESKTV IITQEQRDTV DATA SEQUENCE PIPKSGQSQL GRWMSEEDFE KAFNARFPGC MKGRTMYVIP FSMGPLGSPL DATA SEQUENCE AKIGIELTDS PYVVASMRIM TRMGTSVLEA LGDGEFIKCL HSVGCPLPLK DATA SEQUENCE KPLVNNWACN PELTLIAHLP DRREIISFGS GYGGNSLLGK KCFALRIASR DATA SEQUENCE LAKEEGWLAE HMLILGITNP EGKKKYLAAA FPSACGKTNL AMMNPTLPGW DATA SEQUENCE KVECVGDDIA WMKFDAQGNL RAINPENGFF GVAPGTSVKT NPNAIKTIQK DATA SEQUENCE NTIFTNVAET SDGGVYWEGI DEPLAPGVTI TSWKNKEWRP QDEEPCAHPN DATA SEQUENCE SRFCTPASQC PIIDPAWESP EGVPIEGIIF GGRRPAGVPL VYEALSWQHG DATA SEQUENCE VFVGAAMRSE ATXXXXXKGK VIMHDPFAMR PFFGYNFGKY LAHWLSMAHR DATA SEQUENCE PAAKLPKIFH VNWFRKDKNG KFLWPGFGEN SRVLEWMFGR IEGEDSAKLT DATA SEQUENCE PIGYVPKEDA LNLKGLGDVN VEELFGISKE FWEKEVEEID KYLEDQVNAD DATA SEQUENCE LPYEIERELR ALKQRISQM 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.964 176.000 -0.060 0.000 1.003 4 Q CA 0.000 55.801 55.803 -0.004 0.000 1.022 4 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 5 L N 0.591 121.739 121.223 -0.125 0.000 2.509 5 L HA 0.175 4.516 4.340 0.001 0.000 0.222 5 L C 0.787 177.324 176.870 -0.555 0.000 1.123 5 L CA 0.599 55.242 54.840 -0.327 0.000 0.856 5 L CB -0.026 41.790 42.059 -0.405 0.000 0.985 5 L HN 0.645 nan 8.230 nan 0.000 0.456 6 H N -1.348 117.721 119.070 -0.003 0.000 4.162 6 H HA 0.374 4.930 4.556 0.001 0.000 0.374 6 H C 0.023 175.341 175.328 -0.018 0.000 1.389 6 H CA -0.521 55.520 56.048 -0.010 0.000 1.108 6 H CB 0.496 30.252 29.762 -0.011 0.000 0.909 6 H HN -0.074 nan 8.280 nan 0.000 0.731 7 N N 0.021 118.797 118.700 0.127 0.000 2.301 7 N HA 0.127 4.868 4.740 0.001 0.000 0.247 7 N C 0.762 176.251 175.510 -0.035 0.000 1.347 7 N CA 0.253 53.317 53.050 0.023 0.000 0.844 7 N CB 1.820 40.309 38.487 0.004 0.000 1.332 7 N HN 0.523 nan 8.380 nan 0.000 0.494 8 G N -0.034 108.761 108.800 -0.008 0.000 3.062 8 G HA2 0.189 4.149 3.960 0.001 0.000 0.228 8 G HA3 0.189 4.149 3.960 0.001 0.000 0.228 8 G C 1.242 176.132 174.900 -0.016 0.000 1.094 8 G CA -0.004 45.063 45.100 -0.055 0.000 0.782 8 G HN 0.078 nan 8.290 nan 0.000 0.541 9 L N -0.167 121.084 121.223 0.047 0.000 2.357 9 L HA 0.246 4.587 4.340 0.001 0.000 0.211 9 L C 0.449 177.438 176.870 0.198 0.000 1.075 9 L CA -0.030 54.900 54.840 0.149 0.000 0.830 9 L CB 0.223 42.351 42.059 0.115 0.000 0.996 9 L HN -0.011 nan 8.230 nan 0.000 0.467 10 D N 0.079 120.528 120.400 0.083 0.000 2.336 10 D HA 0.041 4.682 4.640 0.001 0.000 0.249 10 D C 0.216 176.533 176.300 0.029 0.000 1.213 10 D CA 0.047 54.100 54.000 0.088 0.000 0.870 10 D CB 0.687 41.508 40.800 0.035 0.000 1.076 10 D HN -0.020 nan 8.370 nan 0.000 0.483 11 F N 1.852 121.811 119.950 0.016 0.000 2.660 11 F HA 0.052 4.580 4.527 0.001 0.000 0.302 11 F C 2.291 178.102 175.800 0.018 0.000 1.103 11 F CA -0.214 57.795 58.000 0.015 0.000 1.340 11 F CB 0.356 39.362 39.000 0.010 0.000 1.048 11 F HN 0.302 nan 8.300 nan 0.000 0.551 12 S N 0.511 116.284 115.700 0.121 0.000 2.374 12 S HA -0.293 4.178 4.470 0.001 0.000 0.227 12 S C 2.419 177.053 174.600 0.056 0.000 1.037 12 S CA 1.376 59.623 58.200 0.078 0.000 1.024 12 S CB -0.434 62.794 63.200 0.047 0.000 0.861 12 S HN 0.454 nan 8.310 nan 0.000 0.456 13 A N 0.859 123.693 122.820 0.023 0.000 2.121 13 A HA -0.025 4.296 4.320 0.001 0.000 0.218 13 A C 1.890 179.510 177.584 0.061 0.000 1.154 13 A CA 1.119 53.167 52.037 0.018 0.000 0.679 13 A CB -0.223 18.765 19.000 -0.020 0.000 0.795 13 A HN 0.438 nan 8.150 nan 0.000 0.458 14 K N -0.572 119.890 120.400 0.102 0.000 2.374 14 K HA 0.218 4.539 4.320 0.001 0.000 0.196 14 K C -0.475 176.254 176.600 0.215 0.000 1.023 14 K CA -0.162 56.247 56.287 0.204 0.000 1.103 14 K CB 0.647 33.286 32.500 0.232 0.000 0.848 14 K HN 0.227 nan 8.250 nan 0.000 0.528 15 V N 3.268 123.255 119.914 0.121 0.000 2.439 15 V HA 0.031 4.151 4.120 0.001 0.000 0.271 15 V C 1.121 177.207 176.094 -0.013 0.000 1.040 15 V CA 0.206 62.540 62.300 0.057 0.000 1.002 15 V CB 0.527 32.372 31.823 0.037 0.000 1.000 15 V HN 0.257 nan 8.190 nan 0.000 0.477 16 I N 1.654 122.182 120.570 -0.070 0.000 4.070 16 I HA 0.414 4.585 4.170 0.001 0.000 0.328 16 I C 0.607 176.611 176.117 -0.188 0.000 1.298 16 I CA 0.336 61.539 61.300 -0.161 0.000 1.173 16 I CB 0.329 38.154 38.000 -0.291 0.000 1.051 16 I HN 0.606 nan 8.210 nan 0.000 0.409 17 Q N 1.400 121.058 119.800 -0.236 0.000 2.295 17 Q HA 0.530 4.871 4.340 0.001 0.000 0.268 17 Q C -0.200 175.680 176.000 -0.200 0.000 1.010 17 Q CA 0.063 55.685 55.803 -0.303 0.000 0.856 17 Q CB 2.217 30.550 28.738 -0.675 0.000 1.349 17 Q HN 0.502 nan 8.270 nan 0.000 0.412 18 G N 1.693 110.418 108.800 -0.125 0.000 2.615 18 G HA2 -0.123 3.838 3.960 0.001 0.000 0.218 18 G HA3 -0.123 3.838 3.960 0.001 0.000 0.218 18 G C -0.939 173.936 174.900 -0.042 0.000 1.339 18 G CA -0.203 44.855 45.100 -0.069 0.000 0.884 18 G HN 1.062 nan 8.290 nan 0.000 0.559 19 S N -1.557 114.131 115.700 -0.020 0.000 2.566 19 S HA 0.566 5.037 4.470 0.001 0.000 0.273 19 S C 1.185 175.791 174.600 0.009 0.000 1.157 19 S CA 0.180 58.378 58.200 -0.004 0.000 0.938 19 S CB 1.282 64.480 63.200 -0.004 0.000 1.087 19 S HN 1.131 nan 8.310 nan 0.000 0.474 20 L N 2.605 123.842 121.223 0.023 0.000 2.131 20 L HA -0.056 4.284 4.340 0.001 0.000 0.210 20 L C 1.721 178.608 176.870 0.029 0.000 1.092 20 L CA 1.156 56.016 54.840 0.033 0.000 0.759 20 L CB -0.381 41.709 42.059 0.053 0.000 0.903 20 L HN 0.688 nan 8.230 nan 0.000 0.435 21 D N -0.230 120.184 120.400 0.024 0.000 2.219 21 D HA -0.127 4.514 4.640 0.001 0.000 0.205 21 D C 2.302 178.611 176.300 0.015 0.000 0.970 21 D CA 1.692 55.704 54.000 0.020 0.000 0.851 21 D CB 0.077 40.886 40.800 0.016 0.000 0.943 21 D HN 0.405 nan 8.370 nan 0.000 0.488 22 S N -0.021 115.685 115.700 0.010 0.000 2.496 22 S HA 0.015 4.486 4.470 0.001 0.000 0.224 22 S C 1.209 175.811 174.600 0.004 0.000 0.996 22 S CA -0.144 58.059 58.200 0.004 0.000 0.927 22 S CB -0.234 62.965 63.200 -0.001 0.000 0.774 22 S HN 0.101 nan 8.310 nan 0.000 0.524 23 L N 2.404 123.631 121.223 0.007 0.000 2.439 23 L HA 0.332 4.673 4.340 0.001 0.000 0.269 23 L C -2.302 174.575 176.870 0.011 0.000 1.179 23 L CA -2.083 52.759 54.840 0.002 0.000 0.828 23 L CB -0.212 41.851 42.059 0.008 0.000 1.106 23 L HN 0.028 nan 8.230 nan 0.000 0.467 24 P HA -0.036 nan 4.420 nan 0.000 0.267 24 P C 0.269 177.602 177.300 0.055 0.000 1.200 24 P CA -0.101 63.015 63.100 0.026 0.000 0.772 24 P CB 0.533 32.245 31.700 0.021 0.000 0.855 25 Q N 1.812 121.650 119.800 0.064 0.000 2.065 25 Q HA -0.316 4.025 4.340 0.001 0.000 0.213 25 Q C 1.332 177.401 176.000 0.115 0.000 1.012 25 Q CA 1.922 57.771 55.803 0.076 0.000 0.876 25 Q CB -0.085 28.691 28.738 0.063 0.000 0.954 25 Q HN 0.425 nan 8.270 nan 0.000 0.413 26 E N -0.567 119.729 120.200 0.161 0.000 2.274 26 E HA -0.092 4.259 4.350 0.001 0.000 0.194 26 E C 2.088 178.923 176.600 0.392 0.000 0.996 26 E CA 0.744 57.292 56.400 0.247 0.000 0.840 26 E CB 0.039 29.886 29.700 0.245 0.000 0.772 26 E HN 0.284 nan 8.360 nan 0.000 0.491 27 V N 1.280 121.345 119.914 0.252 0.000 2.307 27 V HA -0.202 3.918 4.120 0.001 0.000 0.245 27 V C 2.588 178.785 176.094 0.173 0.000 1.045 27 V CA 1.635 63.998 62.300 0.105 0.000 1.024 27 V CB -0.508 31.219 31.823 -0.160 0.000 0.651 27 V HN 0.178 nan 8.190 nan 0.000 0.449 28 R N 0.397 120.967 120.500 0.117 0.000 2.083 28 R HA -0.207 4.134 4.340 0.001 0.000 0.237 28 R C 2.445 178.812 176.300 0.112 0.000 1.137 28 R CA 1.881 58.037 56.100 0.092 0.000 0.951 28 R CB -0.202 30.140 30.300 0.071 0.000 0.851 28 R HN 0.495 nan 8.270 nan 0.000 0.434 29 K N -0.449 120.040 120.400 0.149 0.000 2.032 29 K HA -0.203 4.118 4.320 0.001 0.000 0.209 29 K C 1.986 178.699 176.600 0.187 0.000 1.048 29 K CA 1.734 58.109 56.287 0.146 0.000 0.927 29 K CB -0.398 32.190 32.500 0.147 0.000 0.712 29 K HN 0.134 nan 8.250 nan 0.000 0.441 30 F N 1.751 121.770 119.950 0.115 0.000 2.075 30 F HA -0.219 4.308 4.527 0.001 0.000 0.297 30 F C 1.992 177.833 175.800 0.068 0.000 1.113 30 F CA 1.175 59.251 58.000 0.127 0.000 1.218 30 F CB -0.515 38.650 39.000 0.276 0.000 0.984 30 F HN -0.279 nan 8.300 nan 0.000 0.472 31 V N 0.263 120.114 119.914 -0.105 0.000 2.295 31 V HA -0.297 3.824 4.120 0.001 0.000 0.246 31 V C 2.414 178.367 176.094 -0.236 0.000 1.049 31 V CA 2.370 64.526 62.300 -0.239 0.000 1.024 31 V CB -0.733 31.042 31.823 -0.080 0.000 0.648 31 V HN 0.398 nan 8.190 nan 0.000 0.447 32 E N -0.082 120.043 120.200 -0.125 0.000 2.112 32 E HA -0.085 4.266 4.350 0.001 0.000 0.190 32 E C 2.286 178.789 176.600 -0.162 0.000 0.979 32 E CA 0.942 57.258 56.400 -0.140 0.000 0.814 32 E CB -0.357 29.349 29.700 0.010 0.000 0.762 32 E HN 0.570 nan 8.360 nan 0.000 0.460 33 G N 1.032 109.786 108.800 -0.077 0.000 2.418 33 G HA2 -0.268 3.692 3.960 0.001 0.000 0.217 33 G HA3 -0.268 3.692 3.960 0.001 0.000 0.217 33 G C 1.512 176.354 174.900 -0.097 0.000 1.158 33 G CA 0.732 45.807 45.100 -0.042 0.000 0.771 33 G HN 0.191 nan 8.290 nan 0.000 0.545 34 N N 0.975 119.565 118.700 -0.183 0.000 2.354 34 N HA -0.005 4.736 4.740 0.001 0.000 0.179 34 N C 2.517 177.877 175.510 -0.251 0.000 1.021 34 N CA 0.945 53.878 53.050 -0.195 0.000 0.887 34 N CB -0.183 38.128 38.487 -0.294 0.000 0.974 34 N HN 0.311 nan 8.380 nan 0.000 0.437 35 A N 1.428 123.991 122.820 -0.428 0.000 1.902 35 A HA -0.173 4.147 4.320 0.001 0.000 0.217 35 A C 2.159 179.298 177.584 -0.741 0.000 1.181 35 A CA 1.209 52.797 52.037 -0.748 0.000 0.623 35 A CB -0.566 17.658 19.000 -1.294 0.000 0.818 35 A HN 0.297 nan 8.150 nan 0.000 0.443 36 Q N -1.086 118.417 119.800 -0.495 0.000 2.135 36 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 36 Q C 2.090 178.104 176.000 0.022 0.000 0.981 36 Q CA 1.601 57.395 55.803 -0.015 0.000 0.856 36 Q CB -0.334 28.457 28.738 0.087 0.000 0.902 36 Q HN 0.650 nan 8.270 nan 0.000 0.425 37 L N 0.252 121.459 121.223 -0.027 0.000 2.023 37 L HA -0.116 4.224 4.340 0.001 0.000 0.205 37 L C 2.307 179.184 176.870 0.013 0.000 1.073 37 L CA 1.796 56.646 54.840 0.016 0.000 0.745 37 L CB -0.463 41.623 42.059 0.044 0.000 0.900 37 L HN 0.476 nan 8.230 nan 0.000 0.435 38 C N -1.670 117.626 119.300 -0.007 0.000 2.594 38 C HA 0.234 4.695 4.460 0.001 0.000 0.265 38 C C 0.969 175.966 174.990 0.012 0.000 1.351 38 C CA -0.467 58.564 59.018 0.022 0.000 1.744 38 C CB -0.603 27.175 27.740 0.063 0.000 1.890 38 C HN 0.697 nan 8.230 nan 0.000 0.551 39 Q N 0.523 120.333 119.800 0.016 0.000 2.460 39 Q HA -0.121 4.220 4.340 0.001 0.000 0.311 39 Q C -2.185 173.858 176.000 0.070 0.000 1.396 39 Q CA 1.078 56.941 55.803 0.101 0.000 0.838 39 Q CB -1.825 26.966 28.738 0.089 0.000 1.140 39 Q HN 0.595 nan 8.270 nan 0.000 0.415 40 P HA -0.026 nan 4.420 nan 0.000 0.270 40 P C 0.709 178.026 177.300 0.030 0.000 1.223 40 P CA 0.106 63.214 63.100 0.013 0.000 0.785 40 P CB 0.707 32.398 31.700 -0.016 0.000 0.923 41 E N 0.458 120.601 120.200 -0.096 0.000 2.112 41 E HA -0.104 4.247 4.350 0.001 0.000 0.190 41 E C -0.293 176.089 176.600 -0.363 0.000 0.979 41 E CA 1.018 57.235 56.400 -0.305 0.000 0.814 41 E CB 0.109 29.496 29.700 -0.521 0.000 0.762 41 E HN 0.416 nan 8.360 nan 0.000 0.460 42 Y N -0.888 119.424 120.300 0.020 0.000 2.553 42 Y HA 0.467 5.018 4.550 0.001 0.000 0.347 42 Y C -0.457 175.423 175.900 -0.032 0.000 1.019 42 Y CA -1.095 57.005 58.100 -0.000 0.000 1.032 42 Y CB 1.507 39.943 38.460 -0.040 0.000 1.284 42 Y HN -0.157 nan 8.280 nan 0.000 0.466 43 I N 1.826 122.500 120.570 0.173 0.000 2.418 43 I HA 0.283 4.454 4.170 0.001 0.000 0.287 43 I C -1.061 175.081 176.117 0.042 0.000 1.008 43 I CA -0.583 60.752 61.300 0.059 0.000 1.104 43 I CB 1.622 39.659 38.000 0.061 0.000 1.264 43 I HN 0.642 nan 8.210 nan 0.000 0.438 44 H N 6.805 125.806 119.070 -0.115 0.000 2.638 44 H HA 0.526 5.083 4.556 0.001 0.000 0.317 44 H C -0.867 174.483 175.328 0.038 0.000 1.006 44 H CA -0.564 55.447 56.048 -0.061 0.000 1.222 44 H CB 0.997 30.678 29.762 -0.135 0.000 1.419 44 H HN 0.490 nan 8.280 nan 0.000 0.489 45 I N 6.062 126.636 120.570 0.006 0.000 2.322 45 I HA 0.054 4.225 4.170 0.001 0.000 0.292 45 I C 0.152 176.338 176.117 0.116 0.000 1.060 45 I CA -0.402 60.942 61.300 0.073 0.000 1.309 45 I CB 0.241 38.245 38.000 0.006 0.000 1.415 45 I HN 0.630 nan 8.210 nan 0.000 0.492 46 C N 5.251 124.724 119.300 0.288 0.000 2.653 46 C HA 0.012 4.473 4.460 0.001 0.000 0.421 46 C C 1.529 176.605 174.990 0.144 0.000 1.334 46 C CA -0.336 58.861 59.018 0.297 0.000 1.885 46 C CB -0.277 27.612 27.740 0.248 0.000 2.645 46 C HN 0.823 nan 8.230 nan 0.000 0.601 47 D N -0.052 120.423 120.400 0.125 0.000 2.379 47 D HA 0.165 4.806 4.640 0.001 0.000 0.208 47 D C 1.435 177.769 176.300 0.057 0.000 1.065 47 D CA 0.653 54.693 54.000 0.067 0.000 0.848 47 D CB -0.270 40.554 40.800 0.040 0.000 0.949 47 D HN 0.937 nan 8.370 nan 0.000 0.509 48 G N 0.600 109.440 108.800 0.067 0.000 2.155 48 G HA2 -0.294 3.667 3.960 0.001 0.000 0.257 48 G HA3 -0.294 3.667 3.960 0.001 0.000 0.257 48 G C 0.411 175.320 174.900 0.015 0.000 0.983 48 G CA 0.657 45.770 45.100 0.022 0.000 0.676 48 G HN 0.858 nan 8.290 nan 0.000 0.528 49 S N -0.637 115.094 115.700 0.052 0.000 2.603 49 S HA 0.559 5.030 4.470 0.001 0.000 0.268 49 S C 1.261 175.913 174.600 0.087 0.000 1.317 49 S CA 0.192 58.425 58.200 0.056 0.000 1.012 49 S CB 1.659 64.895 63.200 0.061 0.000 0.926 49 S HN 0.158 nan 8.310 nan 0.000 0.539 50 E N 1.494 121.748 120.200 0.090 0.000 2.110 50 E HA -0.168 4.182 4.350 0.001 0.000 0.193 50 E C 2.171 178.865 176.600 0.157 0.000 0.988 50 E CA 1.550 58.036 56.400 0.144 0.000 0.804 50 E CB -0.302 29.467 29.700 0.116 0.000 0.745 50 E HN 0.918 nan 8.360 nan 0.000 0.458 51 E N 0.978 121.243 120.200 0.110 0.000 2.072 51 E HA -0.225 4.126 4.350 0.001 0.000 0.191 51 E C 2.007 178.667 176.600 0.101 0.000 0.985 51 E CA 1.079 57.535 56.400 0.092 0.000 0.801 51 E CB -0.463 29.278 29.700 0.069 0.000 0.750 51 E HN 0.405 nan 8.360 nan 0.000 0.452 52 E N 0.146 120.420 120.200 0.122 0.000 2.085 52 E HA -0.240 4.110 4.350 0.001 0.000 0.194 52 E C 2.077 178.757 176.600 0.133 0.000 0.994 52 E CA 0.996 57.483 56.400 0.144 0.000 0.801 52 E CB -0.312 29.496 29.700 0.180 0.000 0.743 52 E HN 0.289 nan 8.360 nan 0.000 0.453 53 Y N 0.714 121.011 120.300 -0.006 0.000 2.133 53 Y HA -0.030 4.521 4.550 0.001 0.000 0.287 53 Y C 2.213 178.075 175.900 -0.063 0.000 1.134 53 Y CA 1.970 60.039 58.100 -0.051 0.000 1.133 53 Y CB -0.881 37.561 38.460 -0.031 0.000 0.987 53 Y HN 0.104 nan 8.280 nan 0.000 0.502 54 G N -0.079 108.694 108.800 -0.045 0.000 2.418 54 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 54 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 54 G C 1.854 176.699 174.900 -0.091 0.000 1.158 54 G CA 0.686 45.721 45.100 -0.108 0.000 0.771 54 G HN 0.338 nan 8.290 nan 0.000 0.545 55 R N -0.574 119.911 120.500 -0.025 0.000 2.092 55 R HA 0.123 4.464 4.340 0.001 0.000 0.231 55 R C 2.583 178.868 176.300 -0.026 0.000 1.119 55 R CA 0.670 56.768 56.100 -0.003 0.000 0.970 55 R CB -0.413 29.905 30.300 0.030 0.000 0.864 55 R HN 0.324 nan 8.270 nan 0.000 0.440 56 L N 0.677 121.856 121.223 -0.073 0.000 2.056 56 L HA -0.183 4.157 4.340 0.001 0.000 0.207 56 L C 2.238 178.988 176.870 -0.200 0.000 1.078 56 L CA 1.232 56.013 54.840 -0.098 0.000 0.749 56 L CB -0.158 41.810 42.059 -0.153 0.000 0.901 56 L HN 0.179 nan 8.230 nan 0.000 0.433 57 L N -1.064 119.907 121.223 -0.419 0.000 2.017 57 L HA -0.219 4.122 4.340 0.001 0.000 0.208 57 L C 2.768 179.314 176.870 -0.539 0.000 1.073 57 L CA 1.255 55.641 54.840 -0.757 0.000 0.745 57 L CB -0.772 40.499 42.059 -1.312 0.000 0.894 57 L HN 0.273 nan 8.230 nan 0.000 0.432 58 A N -1.130 121.543 122.820 -0.245 0.000 1.933 58 A HA -0.288 4.033 4.320 0.001 0.000 0.218 58 A C 2.276 179.882 177.584 0.036 0.000 1.175 58 A CA 1.795 53.824 52.037 -0.013 0.000 0.628 58 A CB -0.985 18.052 19.000 0.063 0.000 0.814 58 A HN 0.560 nan 8.150 nan 0.000 0.444 59 H N -0.870 118.160 119.070 -0.067 0.000 2.357 59 H HA -0.052 4.505 4.556 0.001 0.000 0.301 59 H C 2.048 177.363 175.328 -0.022 0.000 1.082 59 H CA 1.798 57.831 56.048 -0.025 0.000 1.342 59 H CB -0.133 29.620 29.762 -0.015 0.000 1.389 59 H HN 0.461 nan 8.280 nan 0.000 0.511 60 M N 0.434 119.915 119.600 -0.198 0.000 2.117 60 M HA -0.207 4.274 4.480 0.001 0.000 0.262 60 M C 2.644 178.887 176.300 -0.096 0.000 1.065 60 M CA 1.549 56.729 55.300 -0.200 0.000 1.114 60 M CB -0.272 32.238 32.600 -0.149 0.000 1.361 60 M HN 0.383 nan 8.290 nan 0.000 0.408 61 Q N 0.754 120.531 119.800 -0.038 0.000 2.061 61 Q HA -0.235 4.106 4.340 0.001 0.000 0.204 61 Q C 1.669 177.706 176.000 0.061 0.000 0.984 61 Q CA 1.814 57.675 55.803 0.097 0.000 0.846 61 Q CB -0.021 28.863 28.738 0.244 0.000 0.902 61 Q HN 0.548 nan 8.270 nan 0.000 0.421 62 E N 0.143 120.358 120.200 0.025 0.000 2.097 62 E HA -0.211 4.139 4.350 0.001 0.000 0.196 62 E C 1.645 178.238 176.600 -0.011 0.000 1.000 62 E CA 1.369 57.783 56.400 0.024 0.000 0.804 62 E CB -0.006 29.724 29.700 0.049 0.000 0.740 62 E HN 0.449 nan 8.360 nan 0.000 0.454 63 E N -0.729 119.419 120.200 -0.088 0.000 2.502 63 E HA 0.021 4.371 4.350 0.001 0.000 0.194 63 E C 0.932 177.520 176.600 -0.021 0.000 1.062 63 E CA 0.405 56.753 56.400 -0.086 0.000 0.867 63 E CB 0.556 30.136 29.700 -0.200 0.000 0.888 63 E HN 0.397 nan 8.360 nan 0.000 0.510 64 G N 1.218 110.026 108.800 0.013 0.000 2.143 64 G HA2 -0.288 3.673 3.960 0.001 0.000 0.248 64 G HA3 -0.288 3.673 3.960 0.001 0.000 0.248 64 G C 0.978 175.923 174.900 0.075 0.000 0.991 64 G CA 0.435 45.566 45.100 0.052 0.000 0.689 64 G HN 0.261 nan 8.290 nan 0.000 0.522 65 V N 0.301 120.251 119.914 0.060 0.000 2.649 65 V HA 0.292 4.412 4.120 0.001 0.000 0.248 65 V C 1.478 177.680 176.094 0.180 0.000 1.054 65 V CA 2.010 64.370 62.300 0.100 0.000 1.073 65 V CB -0.292 31.548 31.823 0.029 0.000 0.699 65 V HN 0.784 nan 8.190 nan 0.000 0.463 66 I N -2.758 117.915 120.570 0.173 0.000 3.074 66 I HA 0.635 4.806 4.170 0.001 0.000 0.310 66 I C -0.691 175.607 176.117 0.301 0.000 1.153 66 I CA -1.182 60.278 61.300 0.266 0.000 0.993 66 I CB 2.356 40.526 38.000 0.283 0.000 1.237 66 I HN -0.220 nan 8.210 nan 0.000 0.443 67 R N 1.954 122.667 120.500 0.354 0.000 2.562 67 R HA 0.449 4.789 4.340 0.001 0.000 0.298 67 R C -0.860 175.633 176.300 0.322 0.000 0.961 67 R CA -1.018 55.260 56.100 0.296 0.000 0.881 67 R CB 2.451 32.859 30.300 0.180 0.000 1.159 67 R HN 0.566 nan 8.270 nan 0.000 0.450 68 K N 2.866 123.336 120.400 0.118 0.000 2.368 68 K HA 0.141 4.462 4.320 0.001 0.000 0.282 68 K C -0.584 175.885 176.600 -0.219 0.000 1.035 68 K CA -0.131 55.921 56.287 -0.393 0.000 0.973 68 K CB 0.528 32.682 32.500 -0.577 0.000 0.957 68 K HN 0.431 nan 8.250 nan 0.000 0.474 69 L N 6.660 127.737 121.223 -0.243 0.000 2.302 69 L HA 0.160 4.501 4.340 0.001 0.000 0.285 69 L C 1.319 178.062 176.870 -0.213 0.000 1.090 69 L CA -0.202 54.560 54.840 -0.130 0.000 0.866 69 L CB 0.605 42.694 42.059 0.050 0.000 1.244 69 L HN 0.702 nan 8.230 nan 0.000 0.435 70 K N 1.921 122.190 120.400 -0.217 0.000 2.442 70 K HA -0.158 4.163 4.320 0.001 0.000 0.198 70 K C 1.673 178.123 176.600 -0.250 0.000 1.042 70 K CA 1.006 57.169 56.287 -0.207 0.000 0.958 70 K CB 0.107 32.516 32.500 -0.153 0.000 0.766 70 K HN 0.403 nan 8.250 nan 0.000 0.474 71 K N -0.112 120.037 120.400 -0.419 0.000 2.217 71 K HA -0.051 4.269 4.320 0.001 0.000 0.202 71 K C -0.300 175.991 176.600 -0.515 0.000 1.051 71 K CA 0.733 56.677 56.287 -0.572 0.000 0.952 71 K CB 0.102 32.061 32.500 -0.901 0.000 0.736 71 K HN 0.128 nan 8.250 nan 0.000 0.453 72 Y N 0.000 120.264 120.300 -0.059 0.000 2.631 72 Y HA 0.235 4.785 4.550 0.001 0.000 0.328 72 Y C -0.300 175.572 175.900 -0.047 0.000 1.118 72 Y CA -2.257 55.825 58.100 -0.031 0.000 1.206 72 Y CB 0.366 38.836 38.460 0.016 0.000 1.337 72 Y HN -0.118 nan 8.280 nan 0.000 0.515 73 D N 1.215 121.721 120.400 0.176 0.000 2.339 73 D HA 0.047 4.688 4.640 0.001 0.000 0.241 73 D C 0.143 176.492 176.300 0.081 0.000 1.183 73 D CA 0.187 54.240 54.000 0.088 0.000 0.859 73 D CB -0.238 40.615 40.800 0.088 0.000 1.067 73 D HN 0.660 nan 8.370 nan 0.000 0.484 74 N N 3.088 121.792 118.700 0.007 0.000 2.725 74 N HA -0.219 4.522 4.740 0.001 0.000 0.251 74 N C -1.187 174.332 175.510 0.015 0.000 1.031 74 N CA 0.150 53.213 53.050 0.022 0.000 0.720 74 N CB -1.065 37.535 38.487 0.189 0.000 0.930 74 N HN 0.304 nan 8.380 nan 0.000 0.543 75 C N 0.437 119.639 119.300 -0.163 0.000 2.435 75 C HA 0.713 5.174 4.460 0.001 0.000 0.333 75 C C -0.131 174.706 174.990 -0.255 0.000 1.202 75 C CA -0.534 58.511 59.018 0.045 0.000 1.830 75 C CB 0.573 28.532 27.740 0.364 0.000 2.326 75 C HN 0.496 nan 8.230 nan 0.000 0.507 76 W N 1.756 123.246 121.300 0.318 0.000 3.033 76 W HA 0.699 5.359 4.660 0.001 0.000 0.336 76 W C -0.859 175.877 176.519 0.362 0.000 1.173 76 W CA -0.712 56.791 57.345 0.263 0.000 1.185 76 W CB 1.125 30.684 29.460 0.165 0.000 1.425 76 W HN 0.337 nan 8.180 nan 0.000 0.536 77 L N 2.678 124.220 121.223 0.533 0.000 2.376 77 L HA 0.895 5.236 4.340 0.001 0.000 0.275 77 L C -0.781 176.324 176.870 0.392 0.000 0.987 77 L CA -0.803 54.303 54.840 0.443 0.000 0.828 77 L CB 1.191 43.440 42.059 0.316 0.000 1.249 77 L HN 0.504 nan 8.230 nan 0.000 0.409 78 A N 6.155 129.209 122.820 0.389 0.000 2.304 78 A HA 0.810 5.130 4.320 0.001 0.000 0.323 78 A C -1.230 176.463 177.584 0.182 0.000 1.195 78 A CA -0.531 51.697 52.037 0.319 0.000 0.826 78 A CB 0.697 19.951 19.000 0.424 0.000 1.184 78 A HN 0.718 nan 8.150 nan 0.000 0.496 79 L N 2.644 123.947 121.223 0.132 0.000 2.313 79 L HA 0.548 4.889 4.340 0.001 0.000 0.283 79 L C 0.734 177.543 176.870 -0.102 0.000 1.013 79 L CA -0.617 54.264 54.840 0.069 0.000 0.816 79 L CB 1.999 44.124 42.059 0.111 0.000 1.236 79 L HN 0.893 nan 8.230 nan 0.000 0.419 80 T N -2.391 111.965 114.554 -0.330 0.000 2.912 80 T HA 0.224 4.574 4.350 0.001 0.000 0.280 80 T C -0.106 174.397 174.700 -0.328 0.000 0.989 80 T CA -0.854 60.735 62.100 -0.850 0.000 0.995 80 T CB 1.709 69.705 68.868 -1.453 0.000 1.077 80 T HN 0.483 nan 8.240 nan 0.000 0.531 81 D N 2.013 122.260 120.400 -0.255 0.000 2.487 81 D HA 0.086 4.727 4.640 0.001 0.000 0.243 81 D C -1.088 175.184 176.300 -0.046 0.000 1.154 81 D CA -1.825 52.171 54.000 -0.006 0.000 0.876 81 D CB 1.242 42.161 40.800 0.199 0.000 1.161 81 D HN 0.287 nan 8.370 nan 0.000 0.478 82 P HA -0.123 nan 4.420 nan 0.000 0.226 82 P C 0.808 178.133 177.300 0.042 0.000 1.146 82 P CA 0.838 63.993 63.100 0.091 0.000 0.773 82 P CB 0.212 31.947 31.700 0.059 0.000 0.772 83 R N -0.575 119.941 120.500 0.026 0.000 2.275 83 R HA 0.029 4.370 4.340 0.001 0.000 0.199 83 R C 0.433 176.737 176.300 0.007 0.000 0.989 83 R CA 0.510 56.628 56.100 0.029 0.000 1.016 83 R CB -0.165 30.167 30.300 0.053 0.000 0.918 83 R HN 0.087 nan 8.270 nan 0.000 0.473 84 D N 0.344 120.727 120.400 -0.028 0.000 2.441 84 D HA 0.073 4.714 4.640 0.001 0.000 0.287 84 D C 0.351 176.465 176.300 -0.310 0.000 1.198 84 D CA -0.287 53.703 54.000 -0.018 0.000 0.894 84 D CB 1.181 42.143 40.800 0.271 0.000 1.070 84 D HN -0.029 nan 8.370 nan 0.000 0.499 85 V N -0.071 119.505 119.914 -0.564 0.000 3.432 85 V HA 0.844 4.965 4.120 0.001 0.000 0.298 85 V C 0.447 175.696 176.094 -1.407 0.000 1.464 85 V CA 0.307 61.928 62.300 -1.132 0.000 1.046 85 V CB -0.097 31.077 31.823 -1.081 0.000 0.887 85 V HN 0.390 nan 8.190 nan 0.000 0.441 86 A N -0.127 122.195 122.820 -0.829 0.000 2.601 86 A HA 0.672 4.993 4.320 0.001 0.000 0.291 86 A C -0.458 177.141 177.584 0.026 0.000 1.075 86 A CA -0.969 50.884 52.037 -0.307 0.000 0.671 86 A CB 1.008 19.929 19.000 -0.132 0.000 1.277 86 A HN 0.194 nan 8.150 nan 0.000 0.417 87 R N 0.353 120.962 120.500 0.182 0.000 2.523 87 R HA 0.113 4.454 4.340 0.001 0.000 0.281 87 R C -0.688 175.679 176.300 0.111 0.000 0.969 87 R CA 0.687 56.899 56.100 0.186 0.000 1.093 87 R CB -0.057 30.367 30.300 0.206 0.000 0.917 87 R HN 0.516 nan 8.270 nan 0.000 0.408 88 I N 3.429 124.069 120.570 0.117 0.000 2.371 88 I HA 0.024 4.195 4.170 0.001 0.000 0.282 88 I C 1.391 177.559 176.117 0.085 0.000 1.031 88 I CA -0.079 61.273 61.300 0.086 0.000 1.180 88 I CB 1.434 39.488 38.000 0.090 0.000 1.336 88 I HN 0.766 nan 8.210 nan 0.000 0.467 89 E N 3.614 123.844 120.200 0.050 0.000 2.110 89 E HA -0.197 4.154 4.350 0.001 0.000 0.193 89 E C 1.894 178.523 176.600 0.049 0.000 0.988 89 E CA 1.741 58.158 56.400 0.028 0.000 0.804 89 E CB 0.363 30.047 29.700 -0.026 0.000 0.745 89 E HN 0.748 nan 8.360 nan 0.000 0.458 90 S N -0.214 115.517 115.700 0.051 0.000 2.507 90 S HA -0.052 4.419 4.470 0.001 0.000 0.235 90 S C 1.395 176.042 174.600 0.079 0.000 0.988 90 S CA 0.646 58.881 58.200 0.058 0.000 0.944 90 S CB 0.012 63.242 63.200 0.050 0.000 0.762 90 S HN 0.145 nan 8.310 nan 0.000 0.526 91 K N 0.937 121.395 120.400 0.097 0.000 2.478 91 K HA 0.226 4.546 4.320 0.001 0.000 0.205 91 K C -0.706 175.984 176.600 0.151 0.000 1.033 91 K CA -0.046 56.314 56.287 0.121 0.000 1.091 91 K CB 1.033 33.608 32.500 0.125 0.000 0.844 91 K HN 0.201 nan 8.250 nan 0.000 0.507 92 T N 1.597 116.239 114.554 0.146 0.000 2.771 92 T HA 0.416 4.767 4.350 0.001 0.000 0.281 92 T C -0.492 174.317 174.700 0.182 0.000 0.982 92 T CA -0.690 61.526 62.100 0.193 0.000 0.978 92 T CB 1.523 70.507 68.868 0.194 0.000 0.930 92 T HN 0.013 nan 8.240 nan 0.000 0.447 93 V N 1.141 121.191 119.914 0.227 0.000 3.114 93 V HA 0.760 4.881 4.120 0.001 0.000 0.308 93 V C -1.133 175.095 176.094 0.222 0.000 1.168 93 V CA -1.198 61.204 62.300 0.170 0.000 1.015 93 V CB 1.951 33.832 31.823 0.096 0.000 1.050 93 V HN 0.834 nan 8.190 nan 0.000 0.433 94 I N 2.818 123.469 120.570 0.135 0.000 2.509 94 I HA 0.531 4.702 4.170 0.001 0.000 0.293 94 I C -1.232 174.904 176.117 0.032 0.000 1.020 94 I CA -0.650 60.721 61.300 0.119 0.000 1.088 94 I CB 2.166 40.241 38.000 0.126 0.000 1.267 94 I HN 0.510 nan 8.210 nan 0.000 0.430 95 I N 5.294 125.838 120.570 -0.042 0.000 2.330 95 I HA 0.372 4.543 4.170 0.001 0.000 0.289 95 I C 0.271 176.425 176.117 0.061 0.000 1.001 95 I CA 0.170 61.399 61.300 -0.118 0.000 1.193 95 I CB 1.623 39.474 38.000 -0.249 0.000 1.345 95 I HN 0.615 nan 8.210 nan 0.000 0.461 96 T N 0.970 115.685 114.554 0.267 0.000 2.864 96 T HA 0.304 4.655 4.350 0.001 0.000 0.299 96 T C 0.444 175.408 174.700 0.440 0.000 1.166 96 T CA -0.729 61.560 62.100 0.315 0.000 1.007 96 T CB 1.644 70.684 68.868 0.286 0.000 1.219 96 T HN 0.554 nan 8.240 nan 0.000 0.506 97 Q N 0.223 120.171 119.800 0.246 0.000 2.061 97 Q HA -0.064 4.276 4.340 0.001 0.000 0.204 97 Q C 0.019 176.168 176.000 0.248 0.000 0.984 97 Q CA 1.409 57.345 55.803 0.222 0.000 0.846 97 Q CB 0.118 28.921 28.738 0.108 0.000 0.902 97 Q HN 0.728 nan 8.270 nan 0.000 0.421 98 E N 0.187 120.449 120.200 0.103 0.000 2.171 98 E HA 0.045 4.396 4.350 0.001 0.000 0.271 98 E C -0.101 176.228 176.600 -0.452 0.000 0.916 98 E CA -0.296 56.027 56.400 -0.130 0.000 0.774 98 E CB 1.539 31.172 29.700 -0.111 0.000 1.128 98 E HN 0.239 nan 8.360 nan 0.000 0.403 99 Q N 3.523 122.647 119.800 -1.126 0.000 2.135 99 Q HA -0.237 4.103 4.340 0.001 0.000 0.204 99 Q C 1.980 177.593 176.000 -0.645 0.000 0.981 99 Q CA 1.507 56.326 55.803 -1.640 0.000 0.856 99 Q CB 0.124 27.887 28.738 -1.624 0.000 0.902 99 Q HN 0.438 nan 8.270 nan 0.000 0.425 100 R N 0.057 120.315 120.500 -0.404 0.000 2.152 100 R HA -0.144 4.197 4.340 0.001 0.000 0.232 100 R C 0.906 177.133 176.300 -0.123 0.000 1.117 100 R CA 1.558 57.530 56.100 -0.214 0.000 0.981 100 R CB 0.050 30.254 30.300 -0.160 0.000 0.870 100 R HN 0.342 nan 8.270 nan 0.000 0.451 101 D N -0.860 119.478 120.400 -0.104 0.000 2.312 101 D HA -0.071 4.570 4.640 0.001 0.000 0.211 101 D C 1.222 177.561 176.300 0.064 0.000 0.964 101 D CA 1.149 55.147 54.000 -0.003 0.000 0.877 101 D CB 0.203 41.010 40.800 0.011 0.000 0.924 101 D HN 0.225 nan 8.370 nan 0.000 0.515 102 T N -0.486 114.083 114.554 0.025 0.000 3.004 102 T HA 0.116 4.467 4.350 0.001 0.000 0.243 102 T C 0.818 175.547 174.700 0.047 0.000 1.020 102 T CA 0.295 62.457 62.100 0.104 0.000 1.145 102 T CB 0.732 69.742 68.868 0.238 0.000 0.876 102 T HN 0.012 nan 8.240 nan 0.000 0.449 103 V N -0.600 119.302 119.914 -0.020 0.000 2.925 103 V HA 0.643 4.763 4.120 0.001 0.000 0.311 103 V C -3.297 172.748 176.094 -0.082 0.000 1.104 103 V CA -3.321 58.954 62.300 -0.042 0.000 0.954 103 V CB 1.872 33.689 31.823 -0.010 0.000 1.022 103 V HN -0.127 nan 8.190 nan 0.000 0.427 104 P HA 0.256 nan 4.420 nan 0.000 0.269 104 P C -0.510 176.734 177.300 -0.094 0.000 1.209 104 P CA -0.079 62.965 63.100 -0.093 0.000 0.776 104 P CB 0.273 31.915 31.700 -0.096 0.000 0.876 105 I N 4.042 124.553 120.570 -0.098 0.000 2.363 105 I HA 0.182 4.352 4.170 0.001 0.000 0.292 105 I C -2.020 174.050 176.117 -0.079 0.000 1.075 105 I CA -2.958 58.287 61.300 -0.091 0.000 1.333 105 I CB -0.316 37.626 38.000 -0.095 0.000 1.415 105 I HN 0.154 nan 8.210 nan 0.000 0.502 106 P HA 0.167 nan 4.420 nan 0.000 0.272 106 P C 0.764 178.026 177.300 -0.063 0.000 1.223 106 P CA -0.455 62.599 63.100 -0.076 0.000 0.784 106 P CB 1.259 32.918 31.700 -0.068 0.000 0.923 107 K N 1.304 121.665 120.400 -0.066 0.000 2.057 107 K HA -0.107 4.214 4.320 0.001 0.000 0.206 107 K C 1.301 177.878 176.600 -0.038 0.000 1.050 107 K CA 2.149 58.406 56.287 -0.050 0.000 0.935 107 K CB -0.016 32.454 32.500 -0.050 0.000 0.715 107 K HN 0.574 nan 8.250 nan 0.000 0.439 108 S N -2.006 113.671 115.700 -0.038 0.000 2.727 108 S HA 0.259 4.730 4.470 0.001 0.000 0.249 108 S C 0.758 175.346 174.600 -0.021 0.000 1.079 108 S CA -0.173 58.012 58.200 -0.026 0.000 0.912 108 S CB 0.869 64.056 63.200 -0.022 0.000 0.861 108 S HN 0.286 nan 8.310 nan 0.000 0.484 109 G N 0.754 109.538 108.800 -0.027 0.000 2.938 109 G HA2 0.601 4.562 3.960 0.001 0.000 0.258 109 G HA3 0.601 4.562 3.960 0.001 0.000 0.258 109 G C -1.310 173.581 174.900 -0.015 0.000 1.356 109 G CA -0.813 44.277 45.100 -0.017 0.000 1.052 109 G HN 0.361 nan 8.290 nan 0.000 0.550 110 Q N -0.248 119.550 119.800 -0.004 0.000 2.259 110 Q HA 0.458 4.798 4.340 0.001 0.000 0.249 110 Q C 0.364 176.361 176.000 -0.004 0.000 0.914 110 Q CA -0.303 55.502 55.803 0.004 0.000 0.904 110 Q CB 1.053 29.802 28.738 0.018 0.000 1.213 110 Q HN 0.483 nan 8.270 nan 0.000 0.428 111 S N 2.208 117.907 115.700 -0.002 0.000 2.549 111 S HA 0.001 4.471 4.470 0.001 0.000 0.283 111 S C 0.231 174.835 174.600 0.006 0.000 1.320 111 S CA 0.151 58.343 58.200 -0.013 0.000 1.058 111 S CB 0.525 63.722 63.200 -0.006 0.000 0.882 111 S HN 0.771 nan 8.310 nan 0.000 0.498 112 Q N 3.479 123.279 119.800 0.001 0.000 2.247 112 Q HA 0.291 4.632 4.340 0.001 0.000 0.204 112 Q C 0.667 176.681 176.000 0.023 0.000 0.872 112 Q CA 0.097 55.916 55.803 0.026 0.000 0.951 112 Q CB 0.240 29.020 28.738 0.071 0.000 1.099 112 Q HN 0.689 nan 8.270 nan 0.000 0.501 113 L N -0.483 120.745 121.223 0.008 0.000 2.667 113 L HA 0.380 4.721 4.340 0.001 0.000 0.232 113 L C 0.687 177.602 176.870 0.074 0.000 1.138 113 L CA -0.221 54.634 54.840 0.024 0.000 0.921 113 L CB 0.702 42.714 42.059 -0.079 0.000 1.180 113 L HN 0.146 nan 8.230 nan 0.000 0.487 114 G N 0.435 109.266 108.800 0.052 0.000 2.352 114 G HA2 0.210 4.171 3.960 0.001 0.000 0.302 114 G HA3 0.210 4.171 3.960 0.001 0.000 0.302 114 G C -1.577 173.375 174.900 0.087 0.000 1.370 114 G CA -1.033 44.108 45.100 0.068 0.000 0.918 114 G HN 0.008 nan 8.290 nan 0.000 0.610 115 R N -0.675 119.894 120.500 0.115 0.000 2.502 115 R HA 0.454 4.795 4.340 0.001 0.000 0.300 115 R C -1.401 175.026 176.300 0.212 0.000 0.984 115 R CA -0.658 55.531 56.100 0.147 0.000 0.882 115 R CB 2.628 32.994 30.300 0.110 0.000 1.180 115 R HN 0.587 nan 8.270 nan 0.000 0.444 116 W N 5.534 126.861 121.300 0.045 0.000 2.512 116 W HA 0.549 5.210 4.660 0.001 0.000 0.335 116 W C -0.874 175.681 176.519 0.060 0.000 1.088 116 W CA -0.954 56.419 57.345 0.047 0.000 1.236 116 W CB 1.402 30.883 29.460 0.034 0.000 1.307 116 W HN 0.476 nan 8.180 nan 0.000 0.567 117 M N 5.855 124.966 119.600 -0.814 0.000 2.386 117 M HA 0.353 4.834 4.480 0.001 0.000 0.293 117 M C -0.335 175.162 176.300 -1.339 0.000 1.120 117 M CA -0.552 54.214 55.300 -0.890 0.000 0.909 117 M CB 1.703 34.125 32.600 -0.297 0.000 1.661 117 M HN 0.556 nan 8.290 nan 0.000 0.452 118 S N 2.402 117.356 115.700 -1.242 0.000 2.584 118 S HA 0.151 4.621 4.470 0.001 0.000 0.270 118 S C 0.571 175.027 174.600 -0.241 0.000 1.346 118 S CA -0.131 57.683 58.200 -0.644 0.000 1.018 118 S CB 0.993 64.027 63.200 -0.276 0.000 0.899 118 S HN 0.855 nan 8.310 nan 0.000 0.542 119 E N 1.290 121.444 120.200 -0.077 0.000 2.097 119 E HA -0.196 4.154 4.350 0.001 0.000 0.196 119 E C 2.295 178.919 176.600 0.041 0.000 1.000 119 E CA 1.858 58.266 56.400 0.012 0.000 0.804 119 E CB -0.142 29.573 29.700 0.026 0.000 0.740 119 E HN 0.859 nan 8.360 nan 0.000 0.454 120 E N 0.834 121.040 120.200 0.010 0.000 2.072 120 E HA -0.223 4.128 4.350 0.001 0.000 0.191 120 E C 1.267 177.865 176.600 -0.004 0.000 0.985 120 E CA 1.335 57.740 56.400 0.008 0.000 0.801 120 E CB -0.356 29.351 29.700 0.012 0.000 0.750 120 E HN 0.220 nan 8.360 nan 0.000 0.452 121 D N 0.453 120.839 120.400 -0.023 0.000 2.144 121 D HA -0.103 4.538 4.640 0.001 0.000 0.199 121 D C 1.681 177.987 176.300 0.010 0.000 0.984 121 D CA 0.764 54.748 54.000 -0.026 0.000 0.834 121 D CB -0.509 40.249 40.800 -0.069 0.000 0.955 121 D HN 0.196 nan 8.370 nan 0.000 0.465 122 F N 1.570 121.466 119.950 -0.089 0.000 2.186 122 F HA -0.110 4.417 4.527 0.001 0.000 0.299 122 F C 2.163 177.976 175.800 0.022 0.000 1.090 122 F CA 1.112 59.088 58.000 -0.041 0.000 1.307 122 F CB 0.038 38.995 39.000 -0.072 0.000 1.019 122 F HN -0.212 nan 8.300 nan 0.000 0.489 123 E N 0.538 120.667 120.200 -0.118 0.000 2.153 123 E HA -0.164 4.187 4.350 0.001 0.000 0.194 123 E C 2.070 178.605 176.600 -0.109 0.000 0.988 123 E CA 1.336 57.644 56.400 -0.152 0.000 0.811 123 E CB -0.100 29.573 29.700 -0.045 0.000 0.746 123 E HN 0.386 nan 8.360 nan 0.000 0.466 124 K N -0.393 119.952 120.400 -0.093 0.000 2.025 124 K HA -0.046 4.275 4.320 0.001 0.000 0.207 124 K C 2.104 178.632 176.600 -0.120 0.000 1.049 124 K CA 1.171 57.411 56.287 -0.077 0.000 0.933 124 K CB -0.197 32.273 32.500 -0.051 0.000 0.714 124 K HN 0.123 nan 8.250 nan 0.000 0.438 125 A N 1.014 123.736 122.820 -0.163 0.000 1.883 125 A HA -0.202 4.119 4.320 0.001 0.000 0.217 125 A C 2.048 179.477 177.584 -0.260 0.000 1.186 125 A CA 1.374 53.298 52.037 -0.187 0.000 0.624 125 A CB -0.808 18.115 19.000 -0.128 0.000 0.822 125 A HN 0.362 nan 8.150 nan 0.000 0.444 126 F N 1.539 121.142 119.950 -0.578 0.000 2.095 126 F HA -0.240 4.288 4.527 0.001 0.000 0.298 126 F C 1.988 177.668 175.800 -0.201 0.000 1.104 126 F CA 2.230 59.964 58.000 -0.444 0.000 1.232 126 F CB -0.257 38.309 39.000 -0.722 0.000 0.987 126 F HN 0.221 nan 8.300 nan 0.000 0.475 127 N N 0.565 119.214 118.700 -0.084 0.000 2.289 127 N HA -0.099 4.642 4.740 0.001 0.000 0.184 127 N C 1.675 177.069 175.510 -0.193 0.000 1.016 127 N CA 1.200 54.181 53.050 -0.115 0.000 0.872 127 N CB -0.650 37.823 38.487 -0.023 0.000 0.973 127 N HN 0.411 nan 8.380 nan 0.000 0.433 128 A N -0.060 122.628 122.820 -0.220 0.000 2.238 128 A HA 0.119 4.440 4.320 0.001 0.000 0.208 128 A C 1.990 179.354 177.584 -0.366 0.000 1.177 128 A CA 0.500 52.400 52.037 -0.228 0.000 0.804 128 A CB 0.107 19.002 19.000 -0.175 0.000 0.823 128 A HN 0.170 nan 8.150 nan 0.000 0.482 129 R N -2.844 117.316 120.500 -0.566 0.000 2.342 129 R HA 0.309 4.649 4.340 0.001 0.000 0.179 129 R C 1.305 177.036 176.300 -0.950 0.000 0.989 129 R CA 0.455 55.887 56.100 -1.114 0.000 1.125 129 R CB -0.182 29.010 30.300 -1.846 0.000 1.211 129 R HN 0.387 nan 8.270 nan 0.000 0.568 130 F N 1.852 121.348 119.950 -0.758 0.000 2.234 130 F HA 0.118 4.646 4.527 0.001 0.000 0.296 130 F C -1.375 174.249 175.800 -0.293 0.000 1.089 130 F CA -0.209 57.497 58.000 -0.491 0.000 1.343 130 F CB -0.872 37.658 39.000 -0.783 0.000 1.040 130 F HN -0.177 nan 8.300 nan 0.000 0.498 131 P HA 0.080 nan 4.420 nan 0.000 0.260 131 P C 0.692 177.967 177.300 -0.042 0.000 1.185 131 P CA 1.500 64.559 63.100 -0.069 0.000 0.763 131 P CB 0.172 31.827 31.700 -0.074 0.000 0.776 132 G N 3.010 111.805 108.800 -0.008 0.000 2.168 132 G HA2 -0.394 3.567 3.960 0.001 0.000 0.263 132 G HA3 -0.394 3.567 3.960 0.001 0.000 0.263 132 G C 1.118 176.015 174.900 -0.004 0.000 0.977 132 G CA 0.337 45.436 45.100 -0.003 0.000 0.659 132 G HN 0.698 nan 8.290 nan 0.000 0.533 133 C N -1.345 117.958 119.300 0.005 0.000 2.437 133 C HA 0.491 4.952 4.460 0.001 0.000 0.283 133 C C 2.270 177.247 174.990 -0.023 0.000 1.424 133 C CA 1.292 60.314 59.018 0.007 0.000 1.782 133 C CB -0.635 27.143 27.740 0.064 0.000 1.833 133 C HN 0.483 nan 8.230 nan 0.000 0.532 134 M N 0.069 119.664 119.600 -0.008 0.000 2.404 134 M HA 0.220 4.701 4.480 0.001 0.000 0.271 134 M C 0.373 176.659 176.300 -0.023 0.000 1.128 134 M CA -0.244 55.044 55.300 -0.020 0.000 0.982 134 M CB -0.041 32.554 32.600 -0.008 0.000 1.445 134 M HN 0.046 nan 8.290 nan 0.000 0.495 135 K N 1.248 121.636 120.400 -0.020 0.000 2.511 135 K HA 0.110 4.431 4.320 0.001 0.000 0.280 135 K C 1.142 177.718 176.600 -0.040 0.000 1.008 135 K CA 1.536 57.807 56.287 -0.026 0.000 1.050 135 K CB -0.033 32.454 32.500 -0.021 0.000 0.889 135 K HN 0.454 nan 8.250 nan 0.000 0.484 136 G N 3.243 112.007 108.800 -0.060 0.000 2.184 136 G HA2 -0.317 3.643 3.960 0.001 0.000 0.264 136 G HA3 -0.317 3.643 3.960 0.001 0.000 0.264 136 G C -0.080 174.789 174.900 -0.052 0.000 0.975 136 G CA 0.636 45.695 45.100 -0.068 0.000 0.642 136 G HN 0.596 nan 8.290 nan 0.000 0.536 137 R N -0.479 119.995 120.500 -0.044 0.000 2.873 137 R HA 0.624 4.965 4.340 0.001 0.000 0.264 137 R C -0.549 175.740 176.300 -0.017 0.000 1.026 137 R CA -0.577 55.519 56.100 -0.007 0.000 1.002 137 R CB 0.977 31.277 30.300 -0.000 0.000 1.174 137 R HN 0.099 nan 8.270 nan 0.000 0.488 138 T N 2.285 116.834 114.554 -0.008 0.000 2.817 138 T HA 0.179 4.530 4.350 0.001 0.000 0.293 138 T C 0.127 174.695 174.700 -0.221 0.000 0.964 138 T CA -0.206 61.810 62.100 -0.140 0.000 1.085 138 T CB 0.553 69.195 68.868 -0.377 0.000 0.921 138 T HN 0.340 nan 8.240 nan 0.000 0.502 139 M N 5.090 124.592 119.600 -0.162 0.000 2.108 139 M HA 0.336 4.816 4.480 0.001 0.000 0.347 139 M C -1.462 174.743 176.300 -0.157 0.000 1.326 139 M CA -0.543 54.699 55.300 -0.097 0.000 1.126 139 M CB 0.093 32.657 32.600 -0.060 0.000 1.606 139 M HN 0.561 nan 8.290 nan 0.000 0.462 140 Y N 3.756 124.106 120.300 0.083 0.000 2.304 140 Y HA 0.399 4.950 4.550 0.001 0.000 0.328 140 Y C -0.040 175.926 175.900 0.110 0.000 1.123 140 Y CA -0.563 57.596 58.100 0.099 0.000 1.218 140 Y CB 1.111 39.592 38.460 0.035 0.000 1.207 140 Y HN 0.366 nan 8.280 nan 0.000 0.495 141 V N 5.925 126.002 119.914 0.271 0.000 2.334 141 V HA 0.300 4.421 4.120 0.001 0.000 0.281 141 V C -0.225 176.006 176.094 0.227 0.000 1.016 141 V CA -0.727 61.696 62.300 0.204 0.000 0.832 141 V CB 0.578 32.476 31.823 0.126 0.000 0.999 141 V HN 0.566 nan 8.190 nan 0.000 0.439 142 I N 7.905 128.623 120.570 0.247 0.000 2.337 142 I HA 0.347 4.518 4.170 0.001 0.000 0.285 142 I C -2.438 173.867 176.117 0.314 0.000 1.041 142 I CA -1.901 59.548 61.300 0.250 0.000 1.199 142 I CB 1.727 39.855 38.000 0.214 0.000 1.370 142 I HN 0.407 nan 8.210 nan 0.000 0.470 143 P HA 0.262 nan 4.420 nan 0.000 0.287 143 P C -1.001 176.414 177.300 0.191 0.000 1.294 143 P CA -0.147 63.021 63.100 0.113 0.000 0.776 143 P CB 0.267 31.980 31.700 0.022 0.000 0.889 144 F N -0.019 119.965 119.950 0.056 0.000 2.576 144 F HA 0.775 5.303 4.527 0.001 0.000 0.313 144 F C -0.534 175.298 175.800 0.054 0.000 1.078 144 F CA -1.425 56.599 58.000 0.040 0.000 0.921 144 F CB 1.477 40.498 39.000 0.035 0.000 1.232 144 F HN 0.149 nan 8.300 nan 0.000 0.459 145 S N 3.652 119.429 115.700 0.129 0.000 2.451 145 S HA 0.634 5.104 4.470 0.001 0.000 0.301 145 S C -0.649 173.973 174.600 0.038 0.000 1.116 145 S CA -0.809 57.408 58.200 0.029 0.000 1.093 145 S CB 0.534 63.727 63.200 -0.011 0.000 1.017 145 S HN 0.606 nan 8.310 nan 0.000 0.482 146 M N 4.303 123.865 119.600 -0.064 0.000 2.077 146 M HA 0.483 4.964 4.480 0.001 0.000 0.348 146 M C 0.739 176.835 176.300 -0.340 0.000 1.252 146 M CA 0.131 55.258 55.300 -0.289 0.000 1.096 146 M CB -0.327 31.913 32.600 -0.600 0.000 1.568 146 M HN 1.038 nan 8.290 nan 0.000 0.456 147 G N 5.663 114.268 108.800 -0.326 0.000 2.619 147 G HA2 -0.039 3.922 3.960 0.001 0.000 0.686 147 G HA3 -0.039 3.922 3.960 0.001 0.000 0.686 147 G C -3.309 171.473 174.900 -0.197 0.000 1.256 147 G CA -1.440 43.498 45.100 -0.271 0.000 0.826 147 G HN 0.398 nan 8.290 nan 0.000 0.619 148 P HA 0.259 nan 4.420 nan 0.000 0.262 148 P C 0.526 177.739 177.300 -0.145 0.000 1.182 148 P CA -0.326 62.641 63.100 -0.222 0.000 0.761 148 P CB 0.503 32.055 31.700 -0.247 0.000 0.795 149 L N 4.109 125.257 121.223 -0.125 0.000 2.628 149 L HA 0.187 4.527 4.340 0.001 0.000 0.274 149 L C 1.434 178.259 176.870 -0.076 0.000 1.209 149 L CA 1.782 56.573 54.840 -0.082 0.000 0.930 149 L CB -1.189 40.829 42.059 -0.069 0.000 1.183 149 L HN 0.789 nan 8.230 nan 0.000 0.492 150 G N 2.479 111.245 108.800 -0.057 0.000 2.148 150 G HA2 -0.286 3.675 3.960 0.001 0.000 0.254 150 G HA3 -0.286 3.675 3.960 0.001 0.000 0.254 150 G C 0.447 175.310 174.900 -0.062 0.000 0.981 150 G CA 0.391 45.461 45.100 -0.051 0.000 0.670 150 G HN 1.008 nan 8.290 nan 0.000 0.528 151 S N 0.350 116.006 115.700 -0.073 0.000 2.549 151 S HA 0.516 4.987 4.470 0.001 0.000 0.279 151 S C -0.106 174.454 174.600 -0.066 0.000 1.321 151 S CA -0.417 57.736 58.200 -0.079 0.000 1.054 151 S CB 1.208 64.351 63.200 -0.096 0.000 0.899 151 S HN 0.039 nan 8.310 nan 0.000 0.497 152 P HA -0.050 nan 4.420 nan 0.000 0.221 152 P C 0.717 177.946 177.300 -0.119 0.000 1.145 152 P CA 0.686 63.736 63.100 -0.083 0.000 0.795 152 P CB 0.115 31.765 31.700 -0.084 0.000 0.775 153 L N -2.302 118.852 121.223 -0.116 0.000 2.529 153 L HA 0.253 4.594 4.340 0.001 0.000 0.223 153 L C 1.206 178.089 176.870 0.022 0.000 1.113 153 L CA -0.420 54.329 54.840 -0.152 0.000 0.861 153 L CB -1.887 40.100 42.059 -0.120 0.000 1.012 153 L HN -0.166 nan 8.230 nan 0.000 0.461 154 A N 0.825 123.666 122.820 0.035 0.000 2.386 154 A HA 0.406 4.727 4.320 0.001 0.000 0.248 154 A C 0.371 178.069 177.584 0.191 0.000 1.082 154 A CA 0.075 52.177 52.037 0.108 0.000 0.789 154 A CB 0.351 19.349 19.000 -0.004 0.000 1.025 154 A HN 0.251 nan 8.150 nan 0.000 0.490 155 K N 0.893 121.474 120.400 0.302 0.000 2.464 155 K HA 0.544 4.865 4.320 0.001 0.000 0.253 155 K C -1.461 175.313 176.600 0.290 0.000 0.933 155 K CA -0.367 56.129 56.287 0.349 0.000 0.801 155 K CB 2.236 35.097 32.500 0.601 0.000 1.271 155 K HN 0.635 nan 8.250 nan 0.000 0.430 156 I N 1.227 121.931 120.570 0.222 0.000 2.428 156 I HA 0.424 4.594 4.170 0.001 0.000 0.296 156 I C 0.507 176.647 176.117 0.038 0.000 0.985 156 I CA -0.353 60.983 61.300 0.060 0.000 1.260 156 I CB 1.823 39.830 38.000 0.011 0.000 1.389 156 I HN 0.682 nan 8.210 nan 0.000 0.484 157 G N 6.105 114.650 108.800 -0.425 0.000 2.605 157 G HA2 0.720 4.681 3.960 0.001 0.000 0.296 157 G HA3 0.720 4.681 3.960 0.001 0.000 0.296 157 G C -1.132 173.411 174.900 -0.595 0.000 1.304 157 G CA -0.428 44.329 45.100 -0.572 0.000 0.941 157 G HN 0.322 nan 8.290 nan 0.000 0.475 158 I N 0.952 121.471 120.570 -0.085 0.000 2.410 158 I HA 0.331 4.502 4.170 0.001 0.000 0.286 158 I C -0.395 176.026 176.117 0.507 0.000 1.009 158 I CA -0.589 60.806 61.300 0.158 0.000 1.111 158 I CB 1.596 39.609 38.000 0.022 0.000 1.262 158 I HN 0.628 nan 8.210 nan 0.000 0.443 159 E N 7.345 127.918 120.200 0.621 0.000 2.134 159 E HA 0.512 4.863 4.350 0.001 0.000 0.278 159 E C -1.296 175.531 176.600 0.378 0.000 0.959 159 E CA -0.612 56.097 56.400 0.517 0.000 0.783 159 E CB 1.250 31.179 29.700 0.382 0.000 1.095 159 E HN 0.497 nan 8.360 nan 0.000 0.399 160 L N 3.866 125.296 121.223 0.345 0.000 2.292 160 L HA 0.465 4.805 4.340 0.001 0.000 0.284 160 L C 0.315 177.340 176.870 0.258 0.000 1.065 160 L CA -0.431 54.536 54.840 0.212 0.000 0.806 160 L CB 1.536 43.613 42.059 0.029 0.000 1.175 160 L HN 0.495 nan 8.230 nan 0.000 0.431 161 T N -0.465 114.246 114.554 0.261 0.000 2.894 161 T HA 0.283 4.633 4.350 0.001 0.000 0.309 161 T C -0.447 174.424 174.700 0.285 0.000 1.208 161 T CA -0.615 61.672 62.100 0.310 0.000 1.016 161 T CB 1.574 70.648 68.868 0.344 0.000 1.192 161 T HN 0.746 nan 8.240 nan 0.000 0.491 162 D N 1.078 121.603 120.400 0.207 0.000 2.368 162 D HA 0.210 4.850 4.640 0.001 0.000 0.218 162 D C 0.354 176.770 176.300 0.194 0.000 1.112 162 D CA -0.195 53.912 54.000 0.177 0.000 0.834 162 D CB 0.246 41.069 40.800 0.039 0.000 0.953 162 D HN 0.252 nan 8.370 nan 0.000 0.505 163 S N 0.656 116.471 115.700 0.191 0.000 2.498 163 S HA 0.416 4.887 4.470 0.001 0.000 0.324 163 S C -1.920 172.654 174.600 -0.043 0.000 1.071 163 S CA -1.478 56.764 58.200 0.070 0.000 1.113 163 S CB 1.648 64.890 63.200 0.071 0.000 0.976 163 S HN -0.268 nan 8.310 nan 0.000 0.462 164 P HA -0.131 nan 4.420 nan 0.000 0.216 164 P C 1.003 178.189 177.300 -0.190 0.000 1.150 164 P CA 0.917 63.815 63.100 -0.337 0.000 0.837 164 P CB -0.114 31.485 31.700 -0.168 0.000 0.786 165 Y N 0.354 120.546 120.300 -0.180 0.000 2.151 165 Y HA -0.236 4.315 4.550 0.001 0.000 0.284 165 Y C 2.010 177.843 175.900 -0.111 0.000 1.166 165 Y CA 1.435 59.471 58.100 -0.106 0.000 1.163 165 Y CB -0.956 37.471 38.460 -0.055 0.000 0.974 165 Y HN -0.266 nan 8.280 nan 0.000 0.511 166 V N -0.908 118.986 119.914 -0.033 0.000 2.358 166 V HA -0.291 3.829 4.120 0.001 0.000 0.246 166 V C 2.339 178.297 176.094 -0.227 0.000 1.047 166 V CA 1.615 63.827 62.300 -0.147 0.000 1.035 166 V CB -0.720 31.046 31.823 -0.095 0.000 0.658 166 V HN 0.369 nan 8.190 nan 0.000 0.452 167 V N 0.457 120.230 119.914 -0.235 0.000 2.255 167 V HA -0.290 3.831 4.120 0.001 0.000 0.247 167 V C 2.737 178.710 176.094 -0.202 0.000 1.051 167 V CA 2.195 64.347 62.300 -0.246 0.000 1.018 167 V CB -1.262 30.306 31.823 -0.424 0.000 0.641 167 V HN 0.559 nan 8.190 nan 0.000 0.445 168 A N -0.406 122.301 122.820 -0.189 0.000 1.883 168 A HA -0.230 4.091 4.320 0.001 0.000 0.217 168 A C 2.478 179.982 177.584 -0.134 0.000 1.186 168 A CA 2.458 54.472 52.037 -0.038 0.000 0.624 168 A CB -0.780 18.175 19.000 -0.075 0.000 0.822 168 A HN 0.511 nan 8.150 nan 0.000 0.444 169 S N -0.650 114.866 115.700 -0.307 0.000 2.383 169 S HA -0.072 4.399 4.470 0.001 0.000 0.227 169 S C 1.966 176.392 174.600 -0.290 0.000 1.026 169 S CA 1.380 59.377 58.200 -0.337 0.000 0.981 169 S CB -0.262 62.618 63.200 -0.533 0.000 0.818 169 S HN 0.463 nan 8.310 nan 0.000 0.472 170 M N 0.997 120.423 119.600 -0.290 0.000 2.229 170 M HA 0.017 4.497 4.480 0.001 0.000 0.264 170 M C 2.152 178.311 176.300 -0.235 0.000 1.063 170 M CA 1.029 56.156 55.300 -0.289 0.000 1.114 170 M CB -0.962 31.459 32.600 -0.298 0.000 1.387 170 M HN 0.273 nan 8.290 nan 0.000 0.420 171 R N 0.565 120.929 120.500 -0.227 0.000 2.096 171 R HA -0.098 4.242 4.340 0.001 0.000 0.235 171 R C 1.937 178.080 176.300 -0.262 0.000 1.127 171 R CA 1.213 57.159 56.100 -0.257 0.000 0.968 171 R CB -0.087 29.973 30.300 -0.399 0.000 0.861 171 R HN 0.332 nan 8.270 nan 0.000 0.440 172 I N -0.065 120.357 120.570 -0.247 0.000 2.277 172 I HA -0.196 3.975 4.170 0.001 0.000 0.243 172 I C 1.971 177.986 176.117 -0.169 0.000 1.094 172 I CA 0.719 61.903 61.300 -0.193 0.000 1.393 172 I CB -0.087 37.830 38.000 -0.139 0.000 1.078 172 I HN 0.145 nan 8.210 nan 0.000 0.417 173 M N 0.375 119.864 119.600 -0.185 0.000 2.558 173 M HA 0.079 4.559 4.480 0.001 0.000 0.255 173 M C 0.944 177.140 176.300 -0.173 0.000 1.113 173 M CA 0.716 55.907 55.300 -0.182 0.000 1.097 173 M CB -1.039 31.426 32.600 -0.224 0.000 1.426 173 M HN 0.354 nan 8.290 nan 0.000 0.488 174 T N -1.772 112.686 114.554 -0.161 0.000 2.838 174 T HA 0.661 5.012 4.350 0.001 0.000 0.292 174 T C -0.520 174.147 174.700 -0.054 0.000 1.113 174 T CA -0.999 61.042 62.100 -0.098 0.000 1.008 174 T CB 2.131 70.948 68.868 -0.085 0.000 1.259 174 T HN 0.005 nan 8.240 nan 0.000 0.520 175 R N 0.848 121.345 120.500 -0.005 0.000 2.202 175 R HA 0.666 5.006 4.340 0.001 0.000 0.334 175 R C -0.159 176.171 176.300 0.051 0.000 1.036 175 R CA -0.417 55.679 56.100 -0.006 0.000 0.878 175 R CB 0.767 31.050 30.300 -0.028 0.000 1.067 175 R HN 0.817 nan 8.270 nan 0.000 0.457 176 M N 0.821 120.435 119.600 0.023 0.000 2.550 176 M HA 0.864 5.345 4.480 0.001 0.000 0.292 176 M C -0.131 176.190 176.300 0.034 0.000 1.221 176 M CA -0.160 55.179 55.300 0.065 0.000 0.873 176 M CB 2.451 35.095 32.600 0.072 0.000 1.727 176 M HN 0.549 nan 8.290 nan 0.000 0.459 177 G N 0.665 109.499 108.800 0.056 0.000 2.298 177 G HA2 0.016 3.977 3.960 0.001 0.000 0.309 177 G HA3 0.016 3.977 3.960 0.001 0.000 0.309 177 G C -0.042 174.876 174.900 0.029 0.000 1.279 177 G CA -0.161 44.965 45.100 0.043 0.000 1.042 177 G HN 0.911 nan 8.290 nan 0.000 0.480 178 T N 1.003 115.570 114.554 0.020 0.000 2.788 178 T HA -0.091 4.260 4.350 0.001 0.000 0.268 178 T C 2.883 177.583 174.700 -0.001 0.000 1.044 178 T CA 3.093 65.198 62.100 0.009 0.000 1.139 178 T CB -0.580 68.293 68.868 0.007 0.000 0.867 178 T HN 1.509 nan 8.240 nan 0.000 0.454 179 S N 1.295 116.994 115.700 -0.002 0.000 2.419 179 S HA -0.091 4.379 4.470 0.001 0.000 0.233 179 S C 2.114 176.706 174.600 -0.013 0.000 1.016 179 S CA 0.884 59.078 58.200 -0.009 0.000 0.974 179 S CB -0.881 62.312 63.200 -0.013 0.000 0.786 179 S HN 0.319 nan 8.310 nan 0.000 0.492 180 V N 1.986 121.895 119.914 -0.008 0.000 2.307 180 V HA -0.068 4.053 4.120 0.001 0.000 0.245 180 V C 2.567 178.644 176.094 -0.028 0.000 1.045 180 V CA 1.656 63.947 62.300 -0.015 0.000 1.024 180 V CB -0.831 30.991 31.823 -0.002 0.000 0.651 180 V HN 0.456 nan 8.190 nan 0.000 0.449 181 L N -0.204 121.002 121.223 -0.029 0.000 2.079 181 L HA -0.214 4.126 4.340 0.001 0.000 0.210 181 L C 2.614 179.466 176.870 -0.030 0.000 1.081 181 L CA 1.745 56.559 54.840 -0.043 0.000 0.752 181 L CB -0.571 41.467 42.059 -0.036 0.000 0.896 181 L HN 0.431 nan 8.230 nan 0.000 0.433 182 E N -0.104 120.085 120.200 -0.019 0.000 2.107 182 E HA -0.169 4.182 4.350 0.001 0.000 0.191 182 E C 2.302 178.894 176.600 -0.013 0.000 0.982 182 E CA 1.013 57.404 56.400 -0.014 0.000 0.809 182 E CB -0.142 29.551 29.700 -0.011 0.000 0.756 182 E HN 0.501 nan 8.360 nan 0.000 0.459 183 A N 1.453 124.264 122.820 -0.016 0.000 1.930 183 A HA -0.148 4.173 4.320 0.001 0.000 0.217 183 A C 2.184 179.763 177.584 -0.009 0.000 1.175 183 A CA 0.899 52.927 52.037 -0.015 0.000 0.627 183 A CB -0.480 18.509 19.000 -0.019 0.000 0.815 183 A HN 0.215 nan 8.150 nan 0.000 0.443 184 L N -0.635 120.580 121.223 -0.013 0.000 2.017 184 L HA 0.122 4.463 4.340 0.001 0.000 0.208 184 L C 1.731 178.608 176.870 0.012 0.000 1.073 184 L CA 2.018 56.857 54.840 -0.002 0.000 0.745 184 L CB -1.178 40.861 42.059 -0.034 0.000 0.894 184 L HN 0.771 nan 8.230 nan 0.000 0.432 185 G N -0.767 108.034 108.800 0.002 0.000 2.596 185 G HA2 -0.411 3.549 3.960 0.001 0.000 0.295 185 G HA3 -0.411 3.549 3.960 0.001 0.000 0.295 185 G C 0.524 175.442 174.900 0.029 0.000 1.240 185 G CA 0.459 45.566 45.100 0.011 0.000 0.985 185 G HN 0.385 nan 8.290 nan 0.000 0.555 186 D N 2.179 122.601 120.400 0.037 0.000 2.325 186 D HA 0.336 4.976 4.640 0.001 0.000 0.225 186 D C 1.501 177.843 176.300 0.070 0.000 1.096 186 D CA 0.954 54.988 54.000 0.056 0.000 0.844 186 D CB -0.353 40.471 40.800 0.039 0.000 0.925 186 D HN 0.680 nan 8.370 nan 0.000 0.513 187 G N 0.191 109.033 108.800 0.069 0.000 2.653 187 G HA2 0.104 4.065 3.960 0.001 0.000 0.265 187 G HA3 0.104 4.065 3.960 0.001 0.000 0.265 187 G C 0.202 175.170 174.900 0.113 0.000 1.237 187 G CA -0.466 44.673 45.100 0.066 0.000 0.946 187 G HN 0.009 nan 8.290 nan 0.000 0.522 188 E N -0.882 119.348 120.200 0.050 0.000 2.343 188 E HA 0.440 4.790 4.350 0.001 0.000 0.269 188 E C -0.836 175.800 176.600 0.060 0.000 1.047 188 E CA 0.068 56.452 56.400 -0.027 0.000 0.874 188 E CB 1.131 30.774 29.700 -0.095 0.000 1.033 188 E HN 0.373 nan 8.360 nan 0.000 0.409 189 F N -0.526 119.347 119.950 -0.129 0.000 2.613 189 F HA 0.467 4.994 4.527 0.001 0.000 0.310 189 F C -0.920 174.720 175.800 -0.266 0.000 1.085 189 F CA -1.504 56.392 58.000 -0.173 0.000 0.945 189 F CB 0.593 39.486 39.000 -0.180 0.000 1.298 189 F HN 0.103 nan 8.300 nan 0.000 0.455 190 I N 2.586 123.038 120.570 -0.197 0.000 2.471 190 I HA 0.162 4.333 4.170 0.001 0.000 0.286 190 I C -0.001 175.979 176.117 -0.229 0.000 1.079 190 I CA -0.373 60.697 61.300 -0.385 0.000 1.398 190 I CB 0.782 38.303 38.000 -0.798 0.000 1.403 190 I HN 0.662 nan 8.210 nan 0.000 0.530 191 K N 5.685 125.863 120.400 -0.370 0.000 2.284 191 K HA 0.352 4.673 4.320 0.001 0.000 0.287 191 K C -0.959 175.606 176.600 -0.060 0.000 1.081 191 K CA -0.254 55.728 56.287 -0.509 0.000 0.910 191 K CB 0.610 32.647 32.500 -0.772 0.000 1.088 191 K HN 0.558 nan 8.250 nan 0.000 0.478 192 C N 4.385 123.829 119.300 0.241 0.000 2.319 192 C HA 0.463 4.923 4.460 0.001 0.000 0.323 192 C C -0.652 174.641 174.990 0.506 0.000 1.277 192 C CA -1.075 58.162 59.018 0.365 0.000 1.517 192 C CB -0.144 27.849 27.740 0.422 0.000 2.206 192 C HN 0.680 nan 8.230 nan 0.000 0.486 193 L N 4.698 126.158 121.223 0.394 0.000 2.356 193 L HA 0.608 4.948 4.340 0.001 0.000 0.277 193 L C -0.577 176.541 176.870 0.415 0.000 0.996 193 L CA 0.179 55.229 54.840 0.350 0.000 0.822 193 L CB 0.697 42.883 42.059 0.212 0.000 1.256 193 L HN 0.831 nan 8.230 nan 0.000 0.413 194 H N 3.320 122.575 119.070 0.308 0.000 2.679 194 H HA 0.669 5.225 4.556 0.001 0.000 0.360 194 H C -1.821 173.670 175.328 0.270 0.000 1.105 194 H CA -0.387 55.842 56.048 0.301 0.000 1.196 194 H CB 2.094 31.969 29.762 0.188 0.000 1.636 194 H HN 0.678 nan 8.280 nan 0.000 0.531 195 S N 3.298 118.680 115.700 -0.529 0.000 2.540 195 S HA 0.190 4.661 4.470 0.001 0.000 0.275 195 S C 0.994 175.023 174.600 -0.952 0.000 1.123 195 S CA -0.247 57.593 58.200 -0.601 0.000 0.907 195 S CB 1.170 64.206 63.200 -0.273 0.000 1.081 195 S HN 0.552 nan 8.310 nan 0.000 0.476 196 V N 2.106 121.612 119.914 -0.680 0.000 2.970 196 V HA 0.324 4.445 4.120 0.001 0.000 0.260 196 V C 1.506 177.190 176.094 -0.684 0.000 1.100 196 V CA 1.176 63.152 62.300 -0.540 0.000 1.122 196 V CB -1.431 30.180 31.823 -0.352 0.000 0.721 196 V HN 1.917 nan 8.190 nan 0.000 0.483 197 G N -0.638 107.653 108.800 -0.848 0.000 2.182 197 G HA2 -0.238 3.722 3.960 0.001 0.000 0.248 197 G HA3 -0.238 3.722 3.960 0.001 0.000 0.248 197 G C -0.014 174.676 174.900 -0.349 0.000 1.042 197 G CA 0.002 44.534 45.100 -0.946 0.000 0.775 197 G HN 0.839 nan 8.290 nan 0.000 0.501 198 C N 1.994 121.143 119.300 -0.252 0.000 3.414 198 C HA 0.423 4.883 4.460 0.001 0.000 0.208 198 C C -1.374 173.558 174.990 -0.097 0.000 1.422 198 C CA -1.506 57.428 59.018 -0.141 0.000 1.437 198 C CB 0.425 28.081 27.740 -0.139 0.000 1.850 198 C HN 0.515 nan 8.230 nan 0.000 0.481 199 P HA 0.139 nan 4.420 nan 0.000 0.269 199 P C -0.567 176.709 177.300 -0.039 0.000 1.209 199 P CA 0.482 63.553 63.100 -0.049 0.000 0.776 199 P CB 0.979 32.659 31.700 -0.033 0.000 0.876 200 L N 3.964 125.167 121.223 -0.034 0.000 2.350 200 L HA 0.374 4.715 4.340 0.001 0.000 0.275 200 L C -1.829 175.027 176.870 -0.024 0.000 1.099 200 L CA -2.162 52.662 54.840 -0.027 0.000 0.808 200 L CB 0.138 42.183 42.059 -0.023 0.000 1.149 200 L HN 0.236 nan 8.230 nan 0.000 0.442 201 P HA 0.177 nan 4.420 nan 0.000 0.275 201 P C -0.632 176.658 177.300 -0.017 0.000 1.228 201 P CA -0.449 62.642 63.100 -0.016 0.000 0.786 201 P CB 0.483 32.176 31.700 -0.012 0.000 0.927 202 L N 2.909 124.123 121.223 -0.016 0.000 2.513 202 L HA 0.017 4.357 4.340 0.001 0.000 0.272 202 L C 1.573 178.435 176.870 -0.013 0.000 1.187 202 L CA 0.410 55.239 54.840 -0.017 0.000 0.895 202 L CB 0.071 42.121 42.059 -0.015 0.000 1.147 202 L HN 0.429 nan 8.230 nan 0.000 0.483 203 K N 2.407 122.799 120.400 -0.013 0.000 2.361 203 K HA 0.111 4.432 4.320 0.001 0.000 0.196 203 K C 0.019 176.616 176.600 -0.005 0.000 1.039 203 K CA 0.614 56.896 56.287 -0.009 0.000 1.001 203 K CB 0.332 32.826 32.500 -0.009 0.000 0.795 203 K HN 0.490 nan 8.250 nan 0.000 0.495 204 K N 1.076 121.472 120.400 -0.006 0.000 2.426 204 K HA 0.290 4.611 4.320 0.001 0.000 0.251 204 K C -2.731 173.869 176.600 0.001 0.000 0.941 204 K CA -2.092 54.194 56.287 -0.000 0.000 0.808 204 K CB 1.880 34.381 32.500 0.002 0.000 1.265 204 K HN -0.168 nan 8.250 nan 0.000 0.432 205 P HA -0.024 nan 4.420 nan 0.000 0.266 205 P C -0.841 176.468 177.300 0.015 0.000 1.195 205 P CA -0.483 62.623 63.100 0.010 0.000 0.768 205 P CB 0.471 32.178 31.700 0.012 0.000 0.838 206 L N 4.363 125.596 121.223 0.016 0.000 2.367 206 L HA 0.165 4.505 4.340 0.001 0.000 0.275 206 L C -0.403 176.494 176.870 0.044 0.000 1.129 206 L CA -0.163 54.693 54.840 0.027 0.000 0.839 206 L CB 0.808 42.879 42.059 0.019 0.000 1.133 206 L HN 0.107 nan 8.230 nan 0.000 0.453 207 V N 6.110 126.066 119.914 0.071 0.000 2.370 207 V HA 0.358 4.479 4.120 0.001 0.000 0.283 207 V C 0.082 176.241 176.094 0.109 0.000 1.023 207 V CA -0.763 61.580 62.300 0.072 0.000 0.857 207 V CB 1.117 32.978 31.823 0.064 0.000 0.985 207 V HN 0.906 nan 8.190 nan 0.000 0.443 208 N N 4.455 123.200 118.700 0.075 0.000 2.735 208 N HA -0.208 4.533 4.740 0.001 0.000 0.248 208 N C 0.491 176.092 175.510 0.151 0.000 1.083 208 N CA 1.003 54.105 53.050 0.087 0.000 0.703 208 N CB -1.216 37.304 38.487 0.055 0.000 1.005 208 N HN 0.902 nan 8.380 nan 0.000 0.550 209 N N -2.087 116.687 118.700 0.123 0.000 2.696 209 N HA -0.229 4.512 4.740 0.001 0.000 0.249 209 N C -0.818 174.797 175.510 0.176 0.000 1.090 209 N CA 1.203 54.322 53.050 0.115 0.000 0.716 209 N CB -1.042 37.500 38.487 0.092 0.000 1.020 209 N HN 0.633 nan 8.380 nan 0.000 0.548 210 W N 0.952 122.245 121.300 -0.013 0.000 2.391 210 W HA 0.577 5.237 4.660 0.001 0.000 0.312 210 W C -0.520 175.983 176.519 -0.026 0.000 1.003 210 W CA -0.835 56.495 57.345 -0.025 0.000 1.375 210 W CB 0.743 30.193 29.460 -0.018 0.000 1.253 210 W HN 0.095 nan 8.180 nan 0.000 0.416 211 A N 5.288 127.885 122.820 -0.372 0.000 2.454 211 A HA 0.533 4.853 4.320 0.001 0.000 0.260 211 A C -0.073 177.296 177.584 -0.358 0.000 1.106 211 A CA 0.474 52.336 52.037 -0.292 0.000 0.780 211 A CB -0.289 18.550 19.000 -0.269 0.000 1.044 211 A HN 0.868 nan 8.150 nan 0.000 0.498 212 C N 0.513 119.723 119.300 -0.151 0.000 3.312 212 C HA 0.734 5.195 4.460 0.001 0.000 0.332 212 C C -0.690 174.253 174.990 -0.079 0.000 1.340 212 C CA -1.017 57.947 59.018 -0.090 0.000 1.265 212 C CB 0.802 28.618 27.740 0.126 0.000 1.563 212 C HN 0.898 nan 8.230 nan 0.000 0.471 213 N N 0.944 119.585 118.700 -0.098 0.000 2.750 213 N HA 0.415 5.156 4.740 0.001 0.000 0.253 213 N C -2.210 173.313 175.510 0.022 0.000 1.408 213 N CA -1.329 51.689 53.050 -0.054 0.000 0.780 213 N CB 1.342 39.760 38.487 -0.115 0.000 1.191 213 N HN 0.521 nan 8.380 nan 0.000 0.511 214 P HA -0.133 nan 4.420 nan 0.000 0.215 214 P C 0.543 177.887 177.300 0.074 0.000 1.153 214 P CA 1.233 64.374 63.100 0.069 0.000 0.853 214 P CB 0.352 32.090 31.700 0.064 0.000 0.788 215 E N -0.809 119.430 120.200 0.065 0.000 2.153 215 E HA -0.082 4.269 4.350 0.001 0.000 0.194 215 E C 1.528 178.176 176.600 0.080 0.000 0.988 215 E CA 0.903 57.341 56.400 0.063 0.000 0.811 215 E CB -0.662 29.066 29.700 0.047 0.000 0.746 215 E HN 0.259 nan 8.360 nan 0.000 0.466 216 L N 0.463 121.757 121.223 0.118 0.000 2.667 216 L HA 0.158 4.499 4.340 0.001 0.000 0.232 216 L C 0.172 177.196 176.870 0.256 0.000 1.138 216 L CA -0.252 54.687 54.840 0.166 0.000 0.921 216 L CB 0.170 42.366 42.059 0.227 0.000 1.180 216 L HN -0.078 nan 8.230 nan 0.000 0.487 217 T N 2.331 117.003 114.554 0.196 0.000 2.908 217 T HA 0.227 4.578 4.350 0.001 0.000 0.301 217 T C -0.391 174.438 174.700 0.215 0.000 1.019 217 T CA 0.638 62.860 62.100 0.203 0.000 1.152 217 T CB 0.698 69.653 68.868 0.145 0.000 0.966 217 T HN 0.009 nan 8.240 nan 0.000 0.540 218 L N 4.802 126.186 121.223 0.269 0.000 2.641 218 L HA 0.559 4.899 4.340 0.001 0.000 0.261 218 L C -1.938 175.116 176.870 0.307 0.000 0.926 218 L CA -0.451 54.551 54.840 0.270 0.000 0.917 218 L CB 1.544 43.773 42.059 0.283 0.000 1.361 218 L HN 0.503 nan 8.230 nan 0.000 0.417 219 I N 5.088 125.804 120.570 0.244 0.000 2.437 219 I HA 0.793 4.964 4.170 0.001 0.000 0.279 219 I C 0.082 176.239 176.117 0.067 0.000 1.028 219 I CA -0.127 61.282 61.300 0.183 0.000 1.142 219 I CB 1.614 39.730 38.000 0.194 0.000 1.266 219 I HN 0.697 nan 8.210 nan 0.000 0.461 220 A N 4.898 127.693 122.820 -0.043 0.000 2.340 220 A HA 0.894 5.215 4.320 0.001 0.000 0.331 220 A C -1.101 176.199 177.584 -0.474 0.000 1.140 220 A CA -0.509 51.414 52.037 -0.190 0.000 0.801 220 A CB 0.539 19.355 19.000 -0.307 0.000 1.234 220 A HN 0.688 nan 8.150 nan 0.000 0.469 221 H N 0.407 119.397 119.070 -0.133 0.000 2.589 221 H HA 0.586 5.143 4.556 0.001 0.000 0.351 221 H C -1.379 173.847 175.328 -0.170 0.000 1.074 221 H CA -0.548 55.444 56.048 -0.093 0.000 1.203 221 H CB 1.328 31.095 29.762 0.008 0.000 1.558 221 H HN 0.378 nan 8.280 nan 0.000 0.522 222 L N 4.993 126.170 121.223 -0.076 0.000 2.457 222 L HA 0.294 4.635 4.340 0.001 0.000 0.252 222 L C -1.748 175.084 176.870 -0.063 0.000 1.132 222 L CA -1.240 53.531 54.840 -0.115 0.000 0.938 222 L CB 1.377 43.314 42.059 -0.203 0.000 1.246 222 L HN 0.524 nan 8.230 nan 0.000 0.476 223 P HA -0.169 nan 4.420 nan 0.000 0.218 223 P C 0.550 177.814 177.300 -0.059 0.000 1.148 223 P CA 1.317 64.401 63.100 -0.026 0.000 0.822 223 P CB 0.488 32.190 31.700 0.004 0.000 0.784 224 D N -0.192 120.177 120.400 -0.051 0.000 2.183 224 D HA -0.071 4.569 4.640 0.001 0.000 0.203 224 D C 1.957 178.207 176.300 -0.083 0.000 0.969 224 D CA 0.882 54.846 54.000 -0.059 0.000 0.842 224 D CB -0.170 40.608 40.800 -0.037 0.000 0.957 224 D HN 0.297 nan 8.370 nan 0.000 0.484 225 R N 0.144 120.586 120.500 -0.096 0.000 2.300 225 R HA 0.144 4.485 4.340 0.001 0.000 0.199 225 R C 0.070 176.272 176.300 -0.165 0.000 0.920 225 R CA -0.205 55.823 56.100 -0.121 0.000 1.046 225 R CB 0.490 30.721 30.300 -0.115 0.000 0.984 225 R HN -0.118 nan 8.270 nan 0.000 0.493 226 R N 1.353 121.758 120.500 -0.159 0.000 3.332 226 R HA -0.152 4.188 4.340 0.001 0.000 0.263 226 R C -1.174 174.989 176.300 -0.228 0.000 1.053 226 R CA 0.845 56.822 56.100 -0.205 0.000 0.705 226 R CB -2.398 27.748 30.300 -0.257 0.000 1.166 226 R HN 0.499 nan 8.270 nan 0.000 0.427 227 E N -0.008 120.093 120.200 -0.163 0.000 2.266 227 E HA 0.626 4.977 4.350 0.001 0.000 0.268 227 E C -0.159 176.390 176.600 -0.085 0.000 0.879 227 E CA -0.900 55.422 56.400 -0.131 0.000 0.762 227 E CB 1.990 31.622 29.700 -0.114 0.000 1.199 227 E HN 0.090 nan 8.360 nan 0.000 0.422 228 I N 3.274 123.825 120.570 -0.031 0.000 2.436 228 I HA 0.426 4.597 4.170 0.001 0.000 0.289 228 I C -0.766 175.382 176.117 0.052 0.000 1.010 228 I CA -0.519 60.764 61.300 -0.029 0.000 1.098 228 I CB 1.379 39.405 38.000 0.044 0.000 1.266 228 I HN 0.340 nan 8.210 nan 0.000 0.434 229 I N 4.950 125.541 120.570 0.035 0.000 2.468 229 I HA 0.332 4.502 4.170 0.001 0.000 0.285 229 I C -0.510 175.815 176.117 0.347 0.000 1.039 229 I CA -0.269 61.158 61.300 0.212 0.000 1.074 229 I CB 1.957 40.122 38.000 0.275 0.000 1.228 229 I HN 0.439 nan 8.210 nan 0.000 0.436 230 S N 6.663 122.654 115.700 0.485 0.000 2.532 230 S HA 0.699 5.170 4.470 0.001 0.000 0.299 230 S C -1.384 173.573 174.600 0.595 0.000 1.105 230 S CA -0.379 58.120 58.200 0.497 0.000 1.018 230 S CB 1.109 64.551 63.200 0.403 0.000 1.021 230 S HN 0.414 nan 8.310 nan 0.000 0.483 231 F N 3.496 123.603 119.950 0.261 0.000 2.556 231 F HA 0.651 5.178 4.527 0.001 0.000 0.314 231 F C 0.863 176.645 175.800 -0.030 0.000 1.106 231 F CA 0.580 58.556 58.000 -0.041 0.000 0.911 231 F CB 1.724 40.559 39.000 -0.275 0.000 1.190 231 F HN 0.846 nan 8.300 nan 0.000 0.448 232 G N 2.663 111.072 108.800 -0.651 0.000 2.234 232 G HA2 -0.208 3.753 3.960 0.001 0.000 0.235 232 G HA3 -0.208 3.753 3.960 0.001 0.000 0.235 232 G C -0.056 174.779 174.900 -0.109 0.000 0.997 232 G CA 0.153 45.004 45.100 -0.416 0.000 0.623 232 G HN 1.023 nan 8.290 nan 0.000 0.514 233 S N 0.015 115.746 115.700 0.052 0.000 2.473 233 S HA 0.624 5.095 4.470 0.001 0.000 0.307 233 S C 1.164 175.956 174.600 0.321 0.000 1.094 233 S CA 0.758 59.080 58.200 0.203 0.000 1.070 233 S CB 1.456 64.803 63.200 0.245 0.000 1.019 233 S HN 1.319 nan 8.310 nan 0.000 0.480 234 G N 2.691 111.671 108.800 0.300 0.000 3.042 234 G HA2 0.123 4.084 3.960 0.001 0.000 0.212 234 G HA3 0.123 4.084 3.960 0.001 0.000 0.212 234 G C -0.131 175.025 174.900 0.425 0.000 1.166 234 G CA 0.001 45.242 45.100 0.234 0.000 0.767 234 G HN 0.679 nan 8.290 nan 0.000 0.546 235 Y N 1.430 121.955 120.300 0.376 0.000 2.313 235 Y HA 0.422 4.973 4.550 0.001 0.000 0.332 235 Y C 1.608 177.643 175.900 0.224 0.000 1.071 235 Y CA 0.289 58.592 58.100 0.338 0.000 1.169 235 Y CB 1.184 39.781 38.460 0.228 0.000 1.192 235 Y HN 0.247 nan 8.280 nan 0.000 0.487 236 G N 3.876 112.609 108.800 -0.113 0.000 3.087 236 G HA2 -0.472 3.489 3.960 0.001 0.000 0.316 236 G HA3 -0.472 3.489 3.960 0.001 0.000 0.316 236 G C 1.482 176.299 174.900 -0.139 0.000 0.941 236 G CA 1.154 46.100 45.100 -0.256 0.000 0.798 236 G HN 1.219 nan 8.290 nan 0.000 1.045 237 G N -0.009 108.842 108.800 0.084 0.000 2.509 237 G HA2 -0.091 3.870 3.960 0.001 0.000 0.218 237 G HA3 -0.091 3.870 3.960 0.001 0.000 0.218 237 G C 1.554 176.541 174.900 0.145 0.000 1.124 237 G CA 1.349 46.514 45.100 0.108 0.000 0.776 237 G HN 0.711 nan 8.290 nan 0.000 0.547 238 N N -0.050 118.758 118.700 0.180 0.000 2.416 238 N HA -0.020 4.721 4.740 0.001 0.000 0.177 238 N C 2.147 177.725 175.510 0.114 0.000 1.036 238 N CA 1.109 54.273 53.050 0.190 0.000 0.901 238 N CB 0.152 38.786 38.487 0.245 0.000 0.976 238 N HN 0.456 nan 8.380 nan 0.000 0.444 239 S N -0.264 115.420 115.700 -0.026 0.000 2.619 239 S HA 0.194 4.665 4.470 0.001 0.000 0.238 239 S C 0.402 174.796 174.600 -0.342 0.000 1.068 239 S CA -0.487 57.504 58.200 -0.350 0.000 0.926 239 S CB 0.033 63.011 63.200 -0.370 0.000 0.864 239 S HN -0.001 nan 8.310 nan 0.000 0.493 240 L N 3.253 124.330 121.223 -0.244 0.000 2.356 240 L HA 0.419 4.760 4.340 0.001 0.000 0.282 240 L C 0.737 177.496 176.870 -0.184 0.000 1.132 240 L CA -0.300 54.370 54.840 -0.284 0.000 0.923 240 L CB 0.393 42.215 42.059 -0.394 0.000 1.278 240 L HN 0.237 nan 8.230 nan 0.000 0.436 241 L N 1.875 123.022 121.223 -0.126 0.000 2.395 241 L HA 0.005 4.345 4.340 0.001 0.000 0.218 241 L C 2.438 179.422 176.870 0.190 0.000 1.130 241 L CA 0.776 55.655 54.840 0.066 0.000 0.826 241 L CB -0.320 41.836 42.059 0.160 0.000 0.941 241 L HN 0.790 nan 8.230 nan 0.000 0.451 242 G N 0.468 109.264 108.800 -0.006 0.000 2.422 242 G HA2 -0.278 3.683 3.960 0.001 0.000 0.218 242 G HA3 -0.278 3.683 3.960 0.001 0.000 0.218 242 G C 1.606 176.555 174.900 0.082 0.000 1.146 242 G CA 0.725 45.905 45.100 0.133 0.000 0.769 242 G HN 0.278 nan 8.290 nan 0.000 0.547 243 K N 0.046 120.434 120.400 -0.021 0.000 1.984 243 K HA -0.015 4.306 4.320 0.001 0.000 0.219 243 K C 2.519 179.136 176.600 0.028 0.000 1.033 243 K CA 1.047 57.306 56.287 -0.045 0.000 0.983 243 K CB -0.070 32.358 32.500 -0.121 0.000 0.762 243 K HN -0.056 nan 8.250 nan 0.000 0.445 244 K N 0.423 120.846 120.400 0.039 0.000 2.044 244 K HA -0.024 4.297 4.320 0.001 0.000 0.204 244 K C 2.414 179.151 176.600 0.228 0.000 1.049 244 K CA 1.105 57.420 56.287 0.048 0.000 0.945 244 K CB -0.720 31.848 32.500 0.114 0.000 0.724 244 K HN 0.346 nan 8.250 nan 0.000 0.440 245 C N 0.917 120.415 119.300 0.329 0.000 2.432 245 C HA -0.075 4.386 4.460 0.001 0.000 0.277 245 C C 2.578 177.871 174.990 0.506 0.000 1.249 245 C CA 0.308 59.625 59.018 0.498 0.000 1.725 245 C CB -0.849 27.133 27.740 0.404 0.000 2.028 245 C HN 0.353 nan 8.230 nan 0.000 0.477 246 F N 2.072 122.201 119.950 0.298 0.000 2.104 246 F HA 0.235 4.763 4.527 0.001 0.000 0.288 246 F C 2.335 178.367 175.800 0.387 0.000 1.107 246 F CA 1.450 59.651 58.000 0.335 0.000 1.208 246 F CB -1.201 38.033 39.000 0.390 0.000 1.033 246 F HN 0.117 nan 8.300 nan 0.000 0.478 247 A N -0.073 123.091 122.820 0.574 0.000 2.167 247 A HA 0.102 4.423 4.320 0.001 0.000 0.214 247 A C 2.112 180.050 177.584 0.591 0.000 1.151 247 A CA 1.113 53.531 52.037 0.634 0.000 0.735 247 A CB -0.569 18.551 19.000 0.199 0.000 0.802 247 A HN 0.491 nan 8.150 nan 0.000 0.467 248 L N -2.353 119.076 121.223 0.344 0.000 2.541 248 L HA 0.137 4.478 4.340 0.001 0.000 0.187 248 L C 2.666 179.669 176.870 0.221 0.000 1.098 248 L CA 0.133 55.110 54.840 0.230 0.000 0.846 248 L CB -0.393 41.663 42.059 -0.006 0.000 1.151 248 L HN 0.200 nan 8.230 nan 0.000 0.492 249 R N 0.319 120.937 120.500 0.198 0.000 2.056 249 R HA -0.032 4.309 4.340 0.001 0.000 0.227 249 R C 2.177 178.563 176.300 0.143 0.000 1.149 249 R CA 1.068 57.229 56.100 0.102 0.000 0.937 249 R CB -0.241 29.956 30.300 -0.171 0.000 0.835 249 R HN 0.161 nan 8.270 nan 0.000 0.430 250 I N 1.261 121.953 120.570 0.203 0.000 2.179 250 I HA -0.218 3.953 4.170 0.001 0.000 0.242 250 I C 2.567 178.758 176.117 0.124 0.000 1.088 250 I CA 1.494 62.888 61.300 0.157 0.000 1.357 250 I CB -1.348 36.730 38.000 0.131 0.000 1.051 250 I HN 0.189 nan 8.210 nan 0.000 0.409 251 A N 0.871 123.825 122.820 0.224 0.000 1.969 251 A HA -0.179 4.141 4.320 0.001 0.000 0.218 251 A C 2.515 179.952 177.584 -0.246 0.000 1.169 251 A CA 2.018 54.071 52.037 0.026 0.000 0.635 251 A CB -0.726 18.336 19.000 0.103 0.000 0.810 251 A HN 0.579 nan 8.150 nan 0.000 0.445 252 S N -0.423 115.269 115.700 -0.012 0.000 2.382 252 S HA -0.186 4.284 4.470 0.001 0.000 0.228 252 S C 2.102 176.701 174.600 -0.000 0.000 1.027 252 S CA 1.136 59.379 58.200 0.072 0.000 0.991 252 S CB -0.464 62.946 63.200 0.350 0.000 0.823 252 S HN 0.516 nan 8.310 nan 0.000 0.469 253 R N 1.162 121.658 120.500 -0.006 0.000 2.066 253 R HA 0.109 4.450 4.340 0.001 0.000 0.232 253 R C 2.388 178.459 176.300 -0.381 0.000 1.131 253 R CA 1.400 57.354 56.100 -0.244 0.000 0.955 253 R CB -0.910 29.346 30.300 -0.074 0.000 0.851 253 R HN 0.516 nan 8.270 nan 0.000 0.432 254 L N 0.146 121.189 121.223 -0.300 0.000 2.012 254 L HA -0.182 4.159 4.340 0.001 0.000 0.210 254 L C 2.732 179.271 176.870 -0.551 0.000 1.073 254 L CA 1.497 56.167 54.840 -0.283 0.000 0.748 254 L CB -0.667 41.334 42.059 -0.096 0.000 0.891 254 L HN 0.203 nan 8.230 nan 0.000 0.431 255 A N -0.064 122.082 122.820 -1.123 0.000 1.892 255 A HA -0.271 4.050 4.320 0.001 0.000 0.218 255 A C 2.441 179.510 177.584 -0.859 0.000 1.188 255 A CA 2.048 53.025 52.037 -1.766 0.000 0.631 255 A CB -0.540 17.460 19.000 -1.667 0.000 0.822 255 A HN 0.285 nan 8.150 nan 0.000 0.447 256 K N 0.085 120.000 120.400 -0.809 0.000 2.057 256 K HA -0.184 4.136 4.320 0.001 0.000 0.207 256 K C 1.787 178.020 176.600 -0.611 0.000 1.049 256 K CA 1.903 57.555 56.287 -1.057 0.000 0.931 256 K CB -0.278 31.503 32.500 -1.197 0.000 0.714 256 K HN 0.676 nan 8.250 nan 0.000 0.440 257 E N 0.088 120.022 120.200 -0.443 0.000 2.106 257 E HA -0.162 4.188 4.350 0.001 0.000 0.192 257 E C 1.379 177.909 176.600 -0.117 0.000 0.984 257 E CA 1.285 57.540 56.400 -0.242 0.000 0.806 257 E CB 0.111 29.698 29.700 -0.187 0.000 0.750 257 E HN 0.457 nan 8.360 nan 0.000 0.458 258 E N -1.333 118.819 120.200 -0.080 0.000 2.489 258 E HA 0.154 4.505 4.350 0.001 0.000 0.204 258 E C 0.622 177.353 176.600 0.217 0.000 1.006 258 E CA 0.293 56.762 56.400 0.115 0.000 0.936 258 E CB 1.409 31.291 29.700 0.304 0.000 1.002 258 E HN 0.273 nan 8.360 nan 0.000 0.488 259 G N 1.500 110.402 108.800 0.169 0.000 2.131 259 G HA2 -0.164 3.797 3.960 0.001 0.000 0.201 259 G HA3 -0.164 3.797 3.960 0.001 0.000 0.201 259 G C -0.202 174.902 174.900 0.339 0.000 1.000 259 G CA 0.129 45.392 45.100 0.271 0.000 0.680 259 G HN 0.224 nan 8.290 nan 0.000 0.514 260 W N -0.962 120.415 121.300 0.127 0.000 3.518 260 W HA 0.856 5.517 4.660 0.001 0.000 0.331 260 W C -0.856 175.722 176.519 0.097 0.000 1.205 260 W CA -1.717 55.658 57.345 0.052 0.000 0.956 260 W CB 0.664 30.111 29.460 -0.020 0.000 1.645 260 W HN 0.121 nan 8.180 nan 0.000 0.615 261 L N 1.423 122.781 121.223 0.225 0.000 2.408 261 L HA 0.692 5.032 4.340 0.001 0.000 0.268 261 L C -0.405 176.592 176.870 0.211 0.000 0.986 261 L CA -0.993 53.891 54.840 0.073 0.000 0.820 261 L CB 1.831 43.864 42.059 -0.043 0.000 1.303 261 L HN 0.562 nan 8.230 nan 0.000 0.411 262 A N 2.617 125.509 122.820 0.119 0.000 2.285 262 A HA 0.798 5.119 4.320 0.001 0.000 0.310 262 A C -0.779 177.064 177.584 0.432 0.000 1.266 262 A CA -0.499 51.715 52.037 0.295 0.000 0.832 262 A CB 0.738 19.747 19.000 0.014 0.000 1.163 262 A HN 0.588 nan 8.150 nan 0.000 0.499 263 E N 0.718 121.215 120.200 0.495 0.000 2.343 263 E HA 0.192 4.543 4.350 0.001 0.000 0.270 263 E C -0.956 175.891 176.600 0.411 0.000 0.895 263 E CA -0.580 56.120 56.400 0.500 0.000 0.767 263 E CB 1.532 31.576 29.700 0.573 0.000 1.248 263 E HN 0.779 nan 8.360 nan 0.000 0.440 264 H N 2.734 121.951 119.070 0.244 0.000 2.970 264 H HA 0.278 4.835 4.556 0.001 0.000 0.226 264 H C -0.700 174.705 175.328 0.129 0.000 1.909 264 H CA 0.033 56.150 56.048 0.116 0.000 1.388 264 H CB -0.147 29.664 29.762 0.082 0.000 1.773 264 H HN 0.209 nan 8.280 nan 0.000 0.559 265 M N 3.951 123.622 119.600 0.118 0.000 2.393 265 M HA 0.163 4.643 4.480 0.001 0.000 0.299 265 M C -0.762 175.542 176.300 0.006 0.000 1.103 265 M CA -1.341 53.966 55.300 0.012 0.000 0.910 265 M CB 2.574 35.234 32.600 0.100 0.000 1.659 265 M HN 0.281 nan 8.290 nan 0.000 0.445 266 L N 1.535 122.719 121.223 -0.065 0.000 2.473 266 L HA 0.625 4.965 4.340 0.001 0.000 0.268 266 L C -0.969 175.927 176.870 0.043 0.000 1.215 266 L CA 0.294 55.135 54.840 0.001 0.000 0.823 266 L CB 0.079 42.126 42.059 -0.021 0.000 1.099 266 L HN 0.560 nan 8.230 nan 0.000 0.483 267 I N 2.922 123.550 120.570 0.098 0.000 2.465 267 I HA 0.536 4.707 4.170 0.001 0.000 0.291 267 I C -0.797 175.427 176.117 0.179 0.000 1.014 267 I CA -0.648 60.738 61.300 0.143 0.000 1.093 267 I CB 1.807 39.900 38.000 0.154 0.000 1.267 267 I HN 0.710 nan 8.210 nan 0.000 0.431 268 L N 3.559 124.905 121.223 0.205 0.000 2.388 268 L HA 1.012 5.352 4.340 0.001 0.000 0.264 268 L C -0.231 176.757 176.870 0.198 0.000 0.998 268 L CA -0.444 54.511 54.840 0.192 0.000 0.817 268 L CB 1.678 43.810 42.059 0.122 0.000 1.338 268 L HN 0.514 nan 8.230 nan 0.000 0.414 269 G N 2.051 110.889 108.800 0.063 0.000 2.332 269 G HA2 0.637 4.597 3.960 0.001 0.000 0.310 269 G HA3 0.637 4.597 3.960 0.001 0.000 0.310 269 G C -1.162 173.673 174.900 -0.109 0.000 1.123 269 G CA -0.478 44.418 45.100 -0.340 0.000 0.873 269 G HN 0.910 nan 8.290 nan 0.000 0.460 270 I N 1.673 122.213 120.570 -0.050 0.000 2.465 270 I HA 0.574 4.744 4.170 0.001 0.000 0.291 270 I C -0.563 175.663 176.117 0.182 0.000 1.014 270 I CA -0.459 60.929 61.300 0.147 0.000 1.093 270 I CB 2.056 40.239 38.000 0.305 0.000 1.267 270 I HN 0.380 nan 8.210 nan 0.000 0.431 271 T N 6.205 120.814 114.554 0.091 0.000 2.812 271 T HA 0.351 4.701 4.350 0.001 0.000 0.282 271 T C -0.328 174.121 174.700 -0.419 0.000 0.990 271 T CA -0.718 61.338 62.100 -0.075 0.000 0.960 271 T CB 1.033 69.853 68.868 -0.082 0.000 0.948 271 T HN 0.735 nan 8.240 nan 0.000 0.438 272 N N 3.184 121.357 118.700 -0.879 0.000 2.379 272 N HA 0.282 5.023 4.740 0.001 0.000 0.260 272 N C -2.218 172.660 175.510 -1.054 0.000 1.254 272 N CA -2.114 49.880 53.050 -1.761 0.000 0.958 272 N CB -0.091 37.246 38.487 -1.916 0.000 1.208 272 N HN 0.093 nan 8.380 nan 0.000 0.532 273 P HA -0.083 nan 4.420 nan 0.000 0.221 273 P C 0.330 177.430 177.300 -0.334 0.000 1.145 273 P CA 1.387 64.168 63.100 -0.531 0.000 0.795 273 P CB 0.147 31.611 31.700 -0.394 0.000 0.775 274 E N -1.653 118.345 120.200 -0.337 0.000 2.489 274 E HA 0.146 4.497 4.350 0.001 0.000 0.193 274 E C 1.136 177.641 176.600 -0.159 0.000 1.057 274 E CA 0.459 56.741 56.400 -0.196 0.000 0.866 274 E CB -0.303 29.308 29.700 -0.148 0.000 0.916 274 E HN 0.190 nan 8.360 nan 0.000 0.500 275 G N 2.516 111.193 108.800 -0.206 0.000 2.157 275 G HA2 -0.310 3.651 3.960 0.001 0.000 0.248 275 G HA3 -0.310 3.651 3.960 0.001 0.000 0.248 275 G C 0.274 175.128 174.900 -0.076 0.000 0.979 275 G CA 0.262 45.283 45.100 -0.132 0.000 0.650 275 G HN 0.197 nan 8.290 nan 0.000 0.529 276 K N 0.656 121.018 120.400 -0.063 0.000 2.298 276 K HA 0.522 4.842 4.320 0.001 0.000 0.280 276 K C 0.192 176.906 176.600 0.191 0.000 1.032 276 K CA -0.257 56.084 56.287 0.089 0.000 0.958 276 K CB 0.448 33.069 32.500 0.202 0.000 0.978 276 K HN 0.212 nan 8.250 nan 0.000 0.472 277 K N 3.389 123.888 120.400 0.166 0.000 2.371 277 K HA 0.351 4.671 4.320 0.001 0.000 0.251 277 K C -1.378 175.249 176.600 0.046 0.000 0.934 277 K CA -0.743 55.614 56.287 0.117 0.000 0.798 277 K CB 1.223 33.714 32.500 -0.015 0.000 1.204 277 K HN 0.459 nan 8.250 nan 0.000 0.427 278 K N 2.322 122.723 120.400 0.002 0.000 2.477 278 K HA 0.322 4.643 4.320 0.001 0.000 0.255 278 K C -1.547 174.961 176.600 -0.152 0.000 0.952 278 K CA -0.862 55.375 56.287 -0.083 0.000 0.826 278 K CB 1.665 34.030 32.500 -0.225 0.000 1.331 278 K HN 0.358 nan 8.250 nan 0.000 0.437 279 Y N 1.291 121.628 120.300 0.062 0.000 2.360 279 Y HA 0.491 5.041 4.550 0.001 0.000 0.337 279 Y C -0.151 175.795 175.900 0.076 0.000 1.039 279 Y CA -0.754 57.394 58.100 0.079 0.000 1.109 279 Y CB 1.149 39.650 38.460 0.068 0.000 1.201 279 Y HN 0.177 nan 8.280 nan 0.000 0.458 280 L N 2.666 124.027 121.223 0.231 0.000 2.370 280 L HA 0.914 5.255 4.340 0.001 0.000 0.266 280 L C -0.598 176.356 176.870 0.140 0.000 1.002 280 L CA -1.186 53.754 54.840 0.167 0.000 0.818 280 L CB 2.105 44.247 42.059 0.139 0.000 1.325 280 L HN 0.678 nan 8.230 nan 0.000 0.418 281 A N 1.666 124.542 122.820 0.093 0.000 2.355 281 A HA 0.963 5.283 4.320 0.001 0.000 0.324 281 A C -0.835 176.704 177.584 -0.074 0.000 1.117 281 A CA -0.448 51.614 52.037 0.041 0.000 0.785 281 A CB 1.718 20.765 19.000 0.079 0.000 1.254 281 A HN 0.788 nan 8.150 nan 0.000 0.453 282 A N 0.662 123.371 122.820 -0.184 0.000 2.398 282 A HA 0.787 5.108 4.320 0.001 0.000 0.301 282 A C -0.343 176.899 177.584 -0.571 0.000 1.041 282 A CA 0.100 51.854 52.037 -0.472 0.000 0.711 282 A CB 1.321 19.917 19.000 -0.674 0.000 1.240 282 A HN 2.266 nan 8.150 nan 0.000 0.420 283 A N 2.135 124.649 122.820 -0.510 0.000 2.267 283 A HA 0.779 5.100 4.320 0.001 0.000 0.315 283 A C -1.240 176.228 177.584 -0.192 0.000 1.297 283 A CA -0.241 51.654 52.037 -0.236 0.000 0.865 283 A CB -0.128 18.991 19.000 0.198 0.000 1.165 283 A HN 0.649 nan 8.150 nan 0.000 0.513 284 F N 2.213 122.153 119.950 -0.016 0.000 2.546 284 F HA 0.620 5.148 4.527 0.001 0.000 0.320 284 F C -2.196 173.607 175.800 0.005 0.000 1.076 284 F CA -2.722 55.273 58.000 -0.009 0.000 0.928 284 F CB 1.332 40.331 39.000 -0.002 0.000 1.189 284 F HN 0.308 nan 8.300 nan 0.000 0.465 285 P HA 0.129 nan 4.420 nan 0.000 0.272 285 P C -0.503 176.880 177.300 0.138 0.000 1.254 285 P CA -0.476 62.718 63.100 0.157 0.000 0.795 285 P CB 0.300 32.036 31.700 0.061 0.000 1.022 286 S N -0.623 115.145 115.700 0.113 0.000 2.579 286 S HA 0.377 4.848 4.470 0.001 0.000 0.275 286 S C 0.678 175.278 174.600 0.000 0.000 1.345 286 S CA 0.033 58.283 58.200 0.083 0.000 1.031 286 S CB -0.499 62.747 63.200 0.075 0.000 0.892 286 S HN 0.799 nan 8.310 nan 0.000 0.529 287 A N 0.189 123.006 122.820 -0.004 0.000 2.872 287 A HA -0.170 4.150 4.320 0.001 0.000 0.273 287 A C 0.843 178.341 177.584 -0.143 0.000 1.442 287 A CA 0.527 52.527 52.037 -0.061 0.000 0.801 287 A CB -2.573 16.368 19.000 -0.098 0.000 1.031 287 A HN 1.183 nan 8.150 nan 0.000 0.582 288 C N -0.869 118.407 119.300 -0.040 0.000 3.115 288 C HA 0.559 5.020 4.460 0.001 0.000 0.277 288 C C 1.840 176.965 174.990 0.225 0.000 1.460 288 C CA 0.205 59.207 59.018 -0.027 0.000 1.789 288 C CB -0.716 26.948 27.740 -0.128 0.000 2.674 288 C HN 2.420 nan 8.230 nan 0.000 0.582 289 G N 2.329 111.275 108.800 0.244 0.000 2.225 289 G HA2 -0.297 3.663 3.960 0.001 0.000 0.264 289 G HA3 -0.297 3.663 3.960 0.001 0.000 0.264 289 G C 0.872 175.959 174.900 0.313 0.000 1.060 289 G CA 0.787 46.046 45.100 0.264 0.000 0.833 289 G HN 0.611 nan 8.290 nan 0.000 0.498 290 K N -0.758 119.849 120.400 0.345 0.000 2.001 290 K HA -0.073 4.248 4.320 0.001 0.000 0.208 290 K C 2.562 179.284 176.600 0.203 0.000 1.048 290 K CA 1.949 58.477 56.287 0.402 0.000 0.932 290 K CB -0.265 32.402 32.500 0.278 0.000 0.715 290 K HN 0.319 nan 8.250 nan 0.000 0.437 291 T N 1.461 116.081 114.554 0.111 0.000 2.867 291 T HA -0.065 4.286 4.350 0.001 0.000 0.268 291 T C 1.460 176.174 174.700 0.023 0.000 1.057 291 T CA 1.300 63.413 62.100 0.022 0.000 1.136 291 T CB -0.324 68.541 68.868 -0.004 0.000 0.874 291 T HN 0.294 nan 8.240 nan 0.000 0.466 292 N N 1.235 119.985 118.700 0.084 0.000 2.166 292 N HA -0.021 4.720 4.740 0.001 0.000 0.186 292 N C 1.633 177.186 175.510 0.073 0.000 1.019 292 N CA 0.606 53.704 53.050 0.080 0.000 0.856 292 N CB -0.544 38.031 38.487 0.146 0.000 0.993 292 N HN 0.244 nan 8.380 nan 0.000 0.426 293 L N 0.617 121.924 121.223 0.140 0.000 2.109 293 L HA 0.126 4.467 4.340 0.001 0.000 0.207 293 L C 1.992 178.923 176.870 0.102 0.000 1.086 293 L CA 1.170 56.103 54.840 0.156 0.000 0.760 293 L CB -0.725 41.552 42.059 0.364 0.000 0.910 293 L HN 0.110 nan 8.230 nan 0.000 0.437 294 A N 0.199 123.063 122.820 0.074 0.000 1.972 294 A HA -0.145 4.176 4.320 0.001 0.000 0.219 294 A C 1.836 179.403 177.584 -0.029 0.000 1.169 294 A CA 1.895 53.944 52.037 0.020 0.000 0.635 294 A CB -0.614 18.372 19.000 -0.022 0.000 0.810 294 A HN 0.606 nan 8.150 nan 0.000 0.446 295 M N -1.930 117.632 119.600 -0.064 0.000 2.869 295 M HA 0.462 4.942 4.480 0.001 0.000 0.353 295 M C 0.169 176.441 176.300 -0.046 0.000 1.224 295 M CA -0.280 54.972 55.300 -0.081 0.000 0.917 295 M CB -0.000 32.499 32.600 -0.167 0.000 1.322 295 M HN 0.253 nan 8.290 nan 0.000 0.516 296 M N 2.903 122.494 119.600 -0.015 0.000 2.248 296 M HA 0.023 4.504 4.480 0.001 0.000 0.343 296 M C -0.406 175.882 176.300 -0.019 0.000 1.243 296 M CA 1.173 56.464 55.300 -0.016 0.000 1.025 296 M CB 0.386 32.981 32.600 -0.009 0.000 1.759 296 M HN 0.589 nan 8.290 nan 0.000 0.452 297 N N 6.827 125.508 118.700 -0.032 0.000 2.558 297 N HA 0.374 5.114 4.740 0.001 0.000 0.233 297 N C -2.562 172.932 175.510 -0.027 0.000 1.038 297 N CA -1.562 51.471 53.050 -0.028 0.000 0.934 297 N CB 0.838 39.298 38.487 -0.044 0.000 1.175 297 N HN 0.384 nan 8.380 nan 0.000 0.512 298 P HA 0.063 nan 4.420 nan 0.000 0.271 298 P C 0.849 178.139 177.300 -0.017 0.000 1.216 298 P CA -0.202 62.891 63.100 -0.012 0.000 0.771 298 P CB 0.958 32.689 31.700 0.052 0.000 0.864 299 T N 0.180 114.702 114.554 -0.054 0.000 2.985 299 T HA 0.049 4.400 4.350 0.001 0.000 0.266 299 T C 0.849 175.537 174.700 -0.020 0.000 1.076 299 T CA 0.337 62.407 62.100 -0.051 0.000 1.135 299 T CB -0.510 68.304 68.868 -0.090 0.000 0.890 299 T HN 0.165 nan 8.240 nan 0.000 0.480 300 L N 3.801 125.012 121.223 -0.021 0.000 2.410 300 L HA 0.308 4.649 4.340 0.001 0.000 0.273 300 L C -2.027 174.950 176.870 0.179 0.000 1.144 300 L CA -2.152 52.716 54.840 0.046 0.000 0.863 300 L CB 0.140 42.158 42.059 -0.068 0.000 1.140 300 L HN 0.099 nan 8.230 nan 0.000 0.463 301 P HA 0.061 nan 4.420 nan 0.000 0.268 301 P C 0.780 178.162 177.300 0.137 0.000 1.205 301 P CA 0.467 63.633 63.100 0.111 0.000 0.771 301 P CB 1.232 32.968 31.700 0.061 0.000 0.858 302 G N 1.015 109.840 108.800 0.042 0.000 2.284 302 G HA2 -0.223 3.738 3.960 0.001 0.000 0.247 302 G HA3 -0.223 3.738 3.960 0.001 0.000 0.247 302 G C -0.414 174.374 174.900 -0.185 0.000 1.012 302 G CA -0.372 44.673 45.100 -0.092 0.000 0.618 302 G HN 0.438 nan 8.290 nan 0.000 0.521 303 W N 1.087 122.346 121.300 -0.069 0.000 2.313 303 W HA 0.703 5.364 4.660 0.001 0.000 0.328 303 W C 0.520 177.005 176.519 -0.057 0.000 1.197 303 W CA -0.125 57.172 57.345 -0.079 0.000 1.235 303 W CB 1.170 30.582 29.460 -0.079 0.000 1.158 303 W HN 0.279 nan 8.180 nan 0.000 0.578 304 K N 1.433 121.940 120.400 0.178 0.000 2.513 304 K HA 0.670 4.991 4.320 0.001 0.000 0.251 304 K C -2.062 174.606 176.600 0.112 0.000 0.939 304 K CA -0.570 55.775 56.287 0.097 0.000 0.793 304 K CB 1.570 34.085 32.500 0.024 0.000 1.241 304 K HN 0.282 nan 8.250 nan 0.000 0.431 305 V N 3.524 123.487 119.914 0.083 0.000 2.495 305 V HA 0.484 4.605 4.120 0.001 0.000 0.298 305 V C -0.654 175.466 176.094 0.043 0.000 1.031 305 V CA -0.646 61.696 62.300 0.070 0.000 0.871 305 V CB 1.600 33.462 31.823 0.065 0.000 0.988 305 V HN 0.863 nan 8.190 nan 0.000 0.432 306 E N 1.787 122.014 120.200 0.045 0.000 2.277 306 E HA 0.502 4.853 4.350 0.001 0.000 0.266 306 E C -1.351 175.296 176.600 0.079 0.000 0.901 306 E CA -0.583 55.848 56.400 0.053 0.000 0.782 306 E CB 2.431 32.170 29.700 0.064 0.000 1.228 306 E HN 0.699 nan 8.360 nan 0.000 0.424 307 C N 2.853 122.197 119.300 0.073 0.000 2.281 307 C HA 0.370 4.830 4.460 0.001 0.000 0.325 307 C C 1.278 176.364 174.990 0.161 0.000 1.282 307 C CA -0.345 58.725 59.018 0.086 0.000 1.640 307 C CB -0.361 27.378 27.740 -0.003 0.000 2.288 307 C HN 0.686 nan 8.230 nan 0.000 0.507 308 V N 5.284 125.334 119.914 0.227 0.000 2.492 308 V HA 0.375 4.496 4.120 0.001 0.000 0.241 308 V C 1.451 177.719 176.094 0.291 0.000 1.041 308 V CA 1.484 63.962 62.300 0.297 0.000 1.057 308 V CB -0.448 31.546 31.823 0.284 0.000 0.711 308 V HN 1.045 nan 8.190 nan 0.000 0.468 309 G N -0.140 108.805 108.800 0.242 0.000 2.677 309 G HA2 0.476 4.437 3.960 0.001 0.000 0.291 309 G HA3 0.476 4.437 3.960 0.001 0.000 0.291 309 G C -0.937 174.080 174.900 0.194 0.000 1.435 309 G CA 0.408 45.673 45.100 0.275 0.000 0.826 309 G HN 0.162 nan 8.290 nan 0.000 0.491 310 D N -1.312 119.218 120.400 0.217 0.000 2.431 310 D HA 0.179 4.820 4.640 0.001 0.000 0.213 310 D C 0.326 176.676 176.300 0.084 0.000 1.130 310 D CA 0.164 54.211 54.000 0.078 0.000 0.834 310 D CB 1.320 42.086 40.800 -0.058 0.000 0.985 310 D HN 0.319 nan 8.370 nan 0.000 0.504 311 D N -0.456 120.010 120.400 0.110 0.000 2.464 311 D HA 0.296 4.937 4.640 0.001 0.000 0.272 311 D C -0.354 176.020 176.300 0.124 0.000 1.224 311 D CA 0.227 54.290 54.000 0.105 0.000 1.118 311 D CB 1.071 41.959 40.800 0.146 0.000 1.710 311 D HN 0.073 nan 8.370 nan 0.000 0.479 312 I N 1.104 121.739 120.570 0.108 0.000 2.582 312 I HA 0.691 4.862 4.170 0.001 0.000 0.292 312 I C -1.048 175.131 176.117 0.103 0.000 1.066 312 I CA -1.044 60.328 61.300 0.121 0.000 1.053 312 I CB 2.282 40.314 38.000 0.054 0.000 1.241 312 I HN 0.060 nan 8.210 nan 0.000 0.421 313 A N 5.364 128.308 122.820 0.208 0.000 2.371 313 A HA 0.757 5.078 4.320 0.001 0.000 0.311 313 A C -2.003 175.870 177.584 0.482 0.000 1.068 313 A CA -0.366 51.813 52.037 0.236 0.000 0.744 313 A CB 0.972 20.099 19.000 0.212 0.000 1.239 313 A HN 0.603 nan 8.150 nan 0.000 0.435 314 W N 2.228 123.629 121.300 0.169 0.000 2.361 314 W HA 0.685 5.345 4.660 0.001 0.000 0.314 314 W C -0.382 176.229 176.519 0.153 0.000 1.041 314 W CA -1.044 56.457 57.345 0.260 0.000 1.241 314 W CB 1.177 30.763 29.460 0.211 0.000 1.279 314 W HN 0.527 nan 8.180 nan 0.000 0.436 315 M N 3.481 123.311 119.600 0.383 0.000 2.395 315 M HA 0.488 4.968 4.480 0.001 0.000 0.307 315 M C -0.435 175.920 176.300 0.092 0.000 1.091 315 M CA -0.851 54.528 55.300 0.131 0.000 0.919 315 M CB 3.090 35.703 32.600 0.022 0.000 1.662 315 M HN 0.230 nan 8.290 nan 0.000 0.440 316 K N 2.116 122.484 120.400 -0.053 0.000 2.513 316 K HA 0.530 4.850 4.320 0.001 0.000 0.251 316 K C -1.750 174.768 176.600 -0.138 0.000 0.939 316 K CA -0.547 55.719 56.287 -0.036 0.000 0.793 316 K CB 1.890 34.373 32.500 -0.027 0.000 1.241 316 K HN 0.494 nan 8.250 nan 0.000 0.431 317 F N 3.484 123.431 119.950 -0.006 0.000 2.543 317 F HA 0.024 4.552 4.527 0.001 0.000 0.375 317 F C 1.130 176.911 175.800 -0.032 0.000 1.075 317 F CA 0.302 58.281 58.000 -0.035 0.000 1.225 317 F CB 0.408 39.370 39.000 -0.063 0.000 1.099 317 F HN 0.587 nan 8.300 nan 0.000 0.561 318 D N 2.021 122.504 120.400 0.139 0.000 2.478 318 D HA 0.347 4.987 4.640 0.001 0.000 0.269 318 D C 1.032 177.370 176.300 0.063 0.000 1.232 318 D CA -0.332 53.706 54.000 0.064 0.000 1.059 318 D CB 0.271 41.083 40.800 0.020 0.000 1.104 318 D HN 0.444 nan 8.370 nan 0.000 0.566 319 A N -0.808 122.028 122.820 0.027 0.000 2.076 319 A HA -0.191 4.130 4.320 0.001 0.000 0.220 319 A C 1.774 179.364 177.584 0.011 0.000 1.160 319 A CA 1.238 53.283 52.037 0.014 0.000 0.653 319 A CB -0.591 18.410 19.000 0.002 0.000 0.801 319 A HN 0.465 nan 8.150 nan 0.000 0.455 320 Q N -1.684 118.127 119.800 0.020 0.000 2.425 320 Q HA 0.204 4.545 4.340 0.001 0.000 0.204 320 Q C 1.264 177.278 176.000 0.024 0.000 0.933 320 Q CA 0.819 56.631 55.803 0.015 0.000 0.939 320 Q CB -0.076 28.671 28.738 0.015 0.000 1.044 320 Q HN 1.047 nan 8.270 nan 0.000 0.513 321 G N 1.348 110.183 108.800 0.057 0.000 2.157 321 G HA2 -0.202 3.758 3.960 0.001 0.000 0.239 321 G HA3 -0.202 3.758 3.960 0.001 0.000 0.239 321 G C -0.040 175.003 174.900 0.239 0.000 0.982 321 G CA -0.208 44.943 45.100 0.085 0.000 0.650 321 G HN 0.265 nan 8.290 nan 0.000 0.527 322 N N 0.192 118.995 118.700 0.171 0.000 2.520 322 N HA 0.339 5.080 4.740 0.001 0.000 0.273 322 N C -0.012 175.543 175.510 0.075 0.000 1.155 322 N CA -0.265 52.862 53.050 0.129 0.000 0.967 322 N CB 1.627 40.142 38.487 0.047 0.000 1.092 322 N HN 0.248 nan 8.380 nan 0.000 0.457 323 L N 3.987 125.153 121.223 -0.096 0.000 2.385 323 L HA 0.161 4.502 4.340 0.001 0.000 0.285 323 L C -0.003 176.725 176.870 -0.236 0.000 1.125 323 L CA -0.119 54.430 54.840 -0.484 0.000 0.890 323 L CB -0.228 41.449 42.059 -0.637 0.000 1.251 323 L HN 0.210 nan 8.230 nan 0.000 0.445 324 R N 4.611 124.994 120.500 -0.196 0.000 2.234 324 R HA 0.625 4.966 4.340 0.001 0.000 0.324 324 R C -0.453 175.788 176.300 -0.098 0.000 1.054 324 R CA -0.249 55.776 56.100 -0.126 0.000 0.912 324 R CB 1.118 31.360 30.300 -0.098 0.000 1.030 324 R HN 0.685 nan 8.270 nan 0.000 0.455 325 A N 4.588 127.358 122.820 -0.084 0.000 2.330 325 A HA 0.668 4.989 4.320 0.001 0.000 0.327 325 A C 0.083 177.647 177.584 -0.032 0.000 1.155 325 A CA -0.854 51.173 52.037 -0.017 0.000 0.803 325 A CB 0.702 19.711 19.000 0.014 0.000 1.208 325 A HN 0.778 nan 8.150 nan 0.000 0.477 326 I N -0.392 120.188 120.570 0.017 0.000 2.648 326 I HA 0.584 4.755 4.170 0.001 0.000 0.304 326 I C -0.259 175.844 176.117 -0.024 0.000 1.009 326 I CA -1.009 60.276 61.300 -0.025 0.000 1.114 326 I CB 1.928 39.891 38.000 -0.061 0.000 1.293 326 I HN 0.476 nan 8.210 nan 0.000 0.449 327 N N 5.574 124.259 118.700 -0.026 0.000 2.406 327 N HA 0.355 5.096 4.740 0.001 0.000 0.251 327 N C -1.754 173.634 175.510 -0.203 0.000 1.069 327 N CA -2.551 50.475 53.050 -0.039 0.000 0.947 327 N CB 0.970 39.538 38.487 0.135 0.000 1.111 327 N HN 0.464 nan 8.380 nan 0.000 0.497 328 P HA -0.012 nan 4.420 nan 0.000 0.236 328 P C -0.412 176.639 177.300 -0.415 0.000 1.177 328 P CA 0.781 63.457 63.100 -0.707 0.000 0.773 328 P CB 0.539 31.302 31.700 -1.561 0.000 0.878 329 E N -0.057 119.999 120.200 -0.239 0.000 2.312 329 E HA 0.159 4.510 4.350 0.001 0.000 0.259 329 E C 0.273 176.854 176.600 -0.032 0.000 1.122 329 E CA -0.416 55.899 56.400 -0.142 0.000 0.922 329 E CB 0.418 30.058 29.700 -0.099 0.000 1.109 329 E HN -0.131 nan 8.360 nan 0.000 0.442 330 N N -0.696 117.973 118.700 -0.052 0.000 2.171 330 N HA 0.172 4.913 4.740 0.001 0.000 0.212 330 N C -0.673 174.751 175.510 -0.145 0.000 1.184 330 N CA 0.053 53.123 53.050 0.032 0.000 0.888 330 N CB 1.172 39.650 38.487 -0.015 0.000 1.038 330 N HN 0.506 nan 8.380 nan 0.000 0.517 331 G N -1.047 107.572 108.800 -0.302 0.000 2.606 331 G HA2 0.456 4.417 3.960 0.001 0.000 0.300 331 G HA3 0.456 4.417 3.960 0.001 0.000 0.300 331 G C -1.886 172.721 174.900 -0.487 0.000 1.360 331 G CA -0.651 44.135 45.100 -0.524 0.000 0.783 331 G HN -0.018 nan 8.290 nan 0.000 0.484 332 F N 0.081 120.054 119.950 0.039 0.000 2.467 332 F HA 0.567 5.095 4.527 0.001 0.000 0.336 332 F C -0.561 175.309 175.800 0.117 0.000 1.123 332 F CA -1.387 56.666 58.000 0.088 0.000 0.964 332 F CB 2.034 41.124 39.000 0.150 0.000 1.136 332 F HN 0.287 nan 8.300 nan 0.000 0.447 333 F N 3.223 123.201 119.950 0.046 0.000 2.344 333 F HA 0.677 5.205 4.527 0.001 0.000 0.344 333 F C 0.387 176.011 175.800 -0.294 0.000 1.140 333 F CA -0.897 57.025 58.000 -0.131 0.000 1.256 333 F CB -0.022 38.917 39.000 -0.101 0.000 1.573 333 F HN 0.491 nan 8.300 nan 0.000 0.547 334 G N 2.774 111.008 108.800 -0.944 0.000 2.389 334 G HA2 0.474 4.434 3.960 0.001 0.000 0.317 334 G HA3 0.474 4.434 3.960 0.001 0.000 0.317 334 G C -0.999 173.116 174.900 -1.308 0.000 1.137 334 G CA -0.682 43.711 45.100 -1.179 0.000 0.870 334 G HN 0.255 nan 8.290 nan 0.000 0.496 335 V N 1.774 121.259 119.914 -0.715 0.000 2.529 335 V HA 0.254 4.374 4.120 0.001 0.000 0.292 335 V C 1.429 177.197 176.094 -0.543 0.000 1.028 335 V CA 0.618 62.603 62.300 -0.524 0.000 1.074 335 V CB 0.683 32.338 31.823 -0.281 0.000 0.958 335 V HN 0.981 nan 8.190 nan 0.000 0.481 336 A N 7.742 130.210 122.820 -0.587 0.000 1.855 336 A HA 0.194 4.515 4.320 0.001 0.000 0.213 336 A C -1.350 175.552 177.584 -1.137 0.000 1.195 336 A CA 0.538 52.056 52.037 -0.865 0.000 0.610 336 A CB -1.061 17.398 19.000 -0.902 0.000 0.837 336 A HN 0.718 nan 8.150 nan 0.000 0.444 337 P HA 0.265 nan 4.420 nan 0.000 0.265 337 P C 0.789 177.965 177.300 -0.207 0.000 1.193 337 P CA 1.877 64.756 63.100 -0.368 0.000 0.765 337 P CB 0.484 32.080 31.700 -0.174 0.000 0.823 338 G N 1.638 110.431 108.800 -0.012 0.000 2.195 338 G HA2 -0.212 3.749 3.960 0.001 0.000 0.246 338 G HA3 -0.212 3.749 3.960 0.001 0.000 0.246 338 G C 0.171 175.103 174.900 0.054 0.000 0.984 338 G CA 0.024 45.147 45.100 0.039 0.000 0.633 338 G HN 0.585 nan 8.290 nan 0.000 0.525 339 T N 1.918 116.507 114.554 0.060 0.000 2.737 339 T HA 0.590 4.941 4.350 0.001 0.000 0.296 339 T C 0.431 175.305 174.700 0.290 0.000 0.922 339 T CA 0.665 62.849 62.100 0.139 0.000 1.079 339 T CB 1.354 70.279 68.868 0.095 0.000 0.892 339 T HN 1.320 nan 8.240 nan 0.000 0.514 340 S N 1.735 117.476 115.700 0.069 0.000 2.685 340 S HA 0.471 4.941 4.470 0.001 0.000 0.282 340 S C 1.042 175.595 174.600 -0.079 0.000 1.159 340 S CA -0.867 57.331 58.200 -0.003 0.000 0.833 340 S CB 0.979 64.141 63.200 -0.065 0.000 1.151 340 S HN 0.181 nan 8.310 nan 0.000 0.485 341 V N 1.380 121.239 119.914 -0.092 0.000 2.490 341 V HA -0.101 4.020 4.120 0.001 0.000 0.250 341 V C 2.401 178.401 176.094 -0.156 0.000 1.061 341 V CA 2.145 64.382 62.300 -0.105 0.000 1.064 341 V CB -1.013 30.759 31.823 -0.084 0.000 0.670 341 V HN 0.850 nan 8.190 nan 0.000 0.461 342 K N 0.336 120.612 120.400 -0.208 0.000 2.062 342 K HA -0.096 4.225 4.320 0.001 0.000 0.205 342 K C 2.309 178.592 176.600 -0.529 0.000 1.051 342 K CA 1.729 57.830 56.287 -0.311 0.000 0.941 342 K CB -0.461 31.851 32.500 -0.313 0.000 0.719 342 K HN 0.686 nan 8.250 nan 0.000 0.440 343 T N -2.282 111.918 114.554 -0.590 0.000 3.009 343 T HA 0.040 4.390 4.350 0.001 0.000 0.258 343 T C 0.692 175.207 174.700 -0.309 0.000 1.063 343 T CA 0.507 62.129 62.100 -0.797 0.000 1.139 343 T CB 0.105 68.618 68.868 -0.593 0.000 0.890 343 T HN -0.073 nan 8.240 nan 0.000 0.471 344 N N 1.275 119.860 118.700 -0.191 0.000 2.824 344 N HA 0.272 5.012 4.740 0.001 0.000 0.224 344 N C -2.605 172.845 175.510 -0.101 0.000 1.418 344 N CA -1.500 51.486 53.050 -0.107 0.000 0.743 344 N CB 1.733 40.185 38.487 -0.058 0.000 1.395 344 N HN 0.038 nan 8.380 nan 0.000 0.548 345 P HA -0.058 nan 4.420 nan 0.000 0.218 345 P C 0.835 178.085 177.300 -0.084 0.000 1.149 345 P CA 1.003 64.049 63.100 -0.089 0.000 0.817 345 P CB 0.604 32.254 31.700 -0.084 0.000 0.785 346 N N 0.137 118.784 118.700 -0.088 0.000 2.270 346 N HA -0.066 4.675 4.740 0.001 0.000 0.181 346 N C 1.870 177.307 175.510 -0.123 0.000 1.016 346 N CA 1.315 54.310 53.050 -0.091 0.000 0.870 346 N CB -0.645 37.791 38.487 -0.085 0.000 0.979 346 N HN 0.108 nan 8.380 nan 0.000 0.431 347 A N 1.774 124.503 122.820 -0.152 0.000 1.898 347 A HA -0.074 4.247 4.320 0.001 0.000 0.216 347 A C 2.121 179.560 177.584 -0.243 0.000 1.181 347 A CA 0.781 52.676 52.037 -0.237 0.000 0.620 347 A CB -0.395 18.466 19.000 -0.231 0.000 0.819 347 A HN 0.079 nan 8.150 nan 0.000 0.442 348 I N 0.203 120.688 120.570 -0.142 0.000 2.194 348 I HA -0.262 3.909 4.170 0.001 0.000 0.246 348 I C 2.206 178.260 176.117 -0.105 0.000 1.093 348 I CA 1.797 63.040 61.300 -0.095 0.000 1.355 348 I CB -1.225 36.739 38.000 -0.059 0.000 1.046 348 I HN 0.389 nan 8.210 nan 0.000 0.413 349 K N 0.011 120.355 120.400 -0.094 0.000 2.097 349 K HA -0.103 4.218 4.320 0.001 0.000 0.205 349 K C 2.037 178.590 176.600 -0.079 0.000 1.050 349 K CA 1.653 57.896 56.287 -0.074 0.000 0.938 349 K CB -0.203 32.263 32.500 -0.056 0.000 0.718 349 K HN 0.328 nan 8.250 nan 0.000 0.442 350 T N 2.039 116.531 114.554 -0.104 0.000 2.812 350 T HA -0.066 4.285 4.350 0.001 0.000 0.264 350 T C 1.791 176.427 174.700 -0.108 0.000 1.042 350 T CA 1.205 63.255 62.100 -0.084 0.000 1.140 350 T CB -0.198 68.635 68.868 -0.058 0.000 0.870 350 T HN 0.378 nan 8.240 nan 0.000 0.445 351 I N 1.145 121.606 120.570 -0.181 0.000 3.646 351 I HA 0.117 4.288 4.170 0.001 0.000 0.301 351 I C 2.120 178.191 176.117 -0.077 0.000 1.276 351 I CA 0.193 61.388 61.300 -0.176 0.000 1.254 351 I CB -0.654 37.171 38.000 -0.292 0.000 1.020 351 I HN 0.241 nan 8.210 nan 0.000 0.473 352 Q N 3.178 122.907 119.800 -0.119 0.000 2.432 352 Q HA 0.059 4.400 4.340 0.001 0.000 0.205 352 Q C 0.348 176.329 176.000 -0.032 0.000 0.945 352 Q CA 0.232 55.928 55.803 -0.177 0.000 0.924 352 Q CB -0.017 28.663 28.738 -0.097 0.000 1.016 352 Q HN 0.759 nan 8.270 nan 0.000 0.503 353 K N -0.615 119.793 120.400 0.014 0.000 2.532 353 K HA 0.323 4.643 4.320 0.001 0.000 0.265 353 K C -0.913 175.739 176.600 0.086 0.000 0.948 353 K CA -0.730 55.602 56.287 0.074 0.000 0.842 353 K CB 0.884 33.425 32.500 0.069 0.000 1.392 353 K HN -0.110 nan 8.250 nan 0.000 0.436 354 N N 0.088 118.874 118.700 0.144 0.000 2.721 354 N HA -0.139 4.602 4.740 0.001 0.000 0.249 354 N C -1.274 174.344 175.510 0.180 0.000 1.072 354 N CA 1.550 54.722 53.050 0.202 0.000 0.710 354 N CB -1.353 37.233 38.487 0.166 0.000 0.993 354 N HN 0.771 nan 8.380 nan 0.000 0.547 355 T N 0.657 115.306 114.554 0.158 0.000 2.841 355 T HA 0.645 4.996 4.350 0.001 0.000 0.283 355 T C 0.672 175.407 174.700 0.059 0.000 1.000 355 T CA -0.508 61.592 62.100 0.000 0.000 0.977 355 T CB 1.877 70.603 68.868 -0.237 0.000 0.979 355 T HN 0.060 nan 8.240 nan 0.000 0.446 356 I N 3.309 123.884 120.570 0.009 0.000 2.321 356 I HA 0.435 4.606 4.170 0.001 0.000 0.291 356 I C -0.791 175.314 176.117 -0.020 0.000 0.998 356 I CA -0.626 60.758 61.300 0.140 0.000 1.227 356 I CB 0.787 38.871 38.000 0.140 0.000 1.368 356 I HN 0.490 nan 8.210 nan 0.000 0.466 357 F N 3.318 123.444 119.950 0.293 0.000 2.450 357 F HA 0.505 5.032 4.527 0.001 0.000 0.332 357 F C 0.447 176.399 175.800 0.252 0.000 1.093 357 F CA -0.482 57.672 58.000 0.258 0.000 1.003 357 F CB 1.972 41.143 39.000 0.284 0.000 1.151 357 F HN 0.244 nan 8.300 nan 0.000 0.474 358 T N 2.749 117.513 114.554 0.351 0.000 2.840 358 T HA 0.256 4.607 4.350 0.001 0.000 0.287 358 T C -0.414 174.395 174.700 0.182 0.000 0.991 358 T CA -0.815 61.435 62.100 0.250 0.000 0.964 358 T CB 0.836 69.816 68.868 0.186 0.000 0.954 358 T HN 0.615 nan 8.240 nan 0.000 0.438 359 N N 0.314 119.129 118.700 0.191 0.000 2.776 359 N HA -0.136 4.605 4.740 0.001 0.000 0.250 359 N C 0.091 175.699 175.510 0.164 0.000 1.112 359 N CA 1.081 54.242 53.050 0.185 0.000 0.733 359 N CB -1.779 36.675 38.487 -0.054 0.000 1.097 359 N HN 0.685 nan 8.380 nan 0.000 0.558 360 V N -3.127 116.932 119.914 0.241 0.000 3.109 360 V HA 0.925 5.045 4.120 0.001 0.000 0.317 360 V C 0.956 177.194 176.094 0.241 0.000 1.074 360 V CA -0.584 61.870 62.300 0.257 0.000 1.033 360 V CB 1.692 33.745 31.823 0.384 0.000 1.111 360 V HN 0.276 nan 8.190 nan 0.000 0.458 361 A N 1.021 123.951 122.820 0.183 0.000 2.322 361 A HA 0.562 4.883 4.320 0.001 0.000 0.269 361 A C 0.077 177.713 177.584 0.086 0.000 1.094 361 A CA -0.379 51.724 52.037 0.111 0.000 0.807 361 A CB 0.380 19.390 19.000 0.016 0.000 1.047 361 A HN 1.035 nan 8.150 nan 0.000 0.487 362 E N 0.787 121.021 120.200 0.057 0.000 2.176 362 E HA 0.421 4.772 4.350 0.001 0.000 0.267 362 E C -0.194 176.396 176.600 -0.016 0.000 0.893 362 E CA -0.532 55.880 56.400 0.020 0.000 0.761 362 E CB 1.071 30.789 29.700 0.031 0.000 1.133 362 E HN 0.784 nan 8.360 nan 0.000 0.409 363 T N 0.924 115.444 114.554 -0.056 0.000 2.899 363 T HA 0.055 4.406 4.350 0.001 0.000 0.295 363 T C 1.347 175.996 174.700 -0.086 0.000 1.033 363 T CA -0.074 61.968 62.100 -0.097 0.000 1.084 363 T CB 1.404 70.190 68.868 -0.136 0.000 0.979 363 T HN 0.440 nan 8.240 nan 0.000 0.532 364 S N 0.280 115.932 115.700 -0.081 0.000 2.469 364 S HA -0.125 4.346 4.470 0.001 0.000 0.238 364 S C 1.102 175.653 174.600 -0.081 0.000 0.998 364 S CA 0.753 58.913 58.200 -0.066 0.000 0.957 364 S CB -0.593 62.573 63.200 -0.056 0.000 0.764 364 S HN 0.919 nan 8.310 nan 0.000 0.514 365 D N 0.258 120.594 120.400 -0.107 0.000 2.342 365 D HA 0.283 4.924 4.640 0.001 0.000 0.221 365 D C 1.176 177.371 176.300 -0.175 0.000 1.101 365 D CA 0.291 54.215 54.000 -0.126 0.000 0.837 365 D CB -0.596 40.129 40.800 -0.125 0.000 0.938 365 D HN 0.508 nan 8.370 nan 0.000 0.508 366 G N -0.748 107.952 108.800 -0.166 0.000 2.149 366 G HA2 -0.088 3.872 3.960 0.001 0.000 0.235 366 G HA3 -0.088 3.872 3.960 0.001 0.000 0.235 366 G C 0.508 175.217 174.900 -0.319 0.000 1.018 366 G CA -0.100 44.882 45.100 -0.198 0.000 0.728 366 G HN 0.788 nan 8.290 nan 0.000 0.508 367 G N -1.592 107.033 108.800 -0.292 0.000 2.642 367 G HA2 0.919 4.880 3.960 0.001 0.000 0.291 367 G HA3 0.919 4.880 3.960 0.001 0.000 0.291 367 G C 0.171 175.042 174.900 -0.048 0.000 1.345 367 G CA 0.122 45.048 45.100 -0.289 0.000 1.043 367 G HN 1.534 nan 8.290 nan 0.000 0.528 368 V N -3.031 116.900 119.914 0.030 0.000 2.881 368 V HA 0.845 4.966 4.120 0.001 0.000 0.316 368 V C -1.199 174.771 176.094 -0.208 0.000 1.070 368 V CA -1.183 61.026 62.300 -0.152 0.000 0.976 368 V CB 1.587 33.150 31.823 -0.435 0.000 1.038 368 V HN 0.683 nan 8.190 nan 0.000 0.446 369 Y N 2.509 122.587 120.300 -0.370 0.000 2.552 369 Y HA 0.779 5.330 4.550 0.001 0.000 0.337 369 Y C -1.281 174.491 175.900 -0.212 0.000 1.094 369 Y CA -0.891 56.934 58.100 -0.459 0.000 1.028 369 Y CB 2.208 40.512 38.460 -0.260 0.000 1.321 369 Y HN 1.089 nan 8.280 nan 0.000 0.456 370 W N 1.273 122.364 121.300 -0.349 0.000 3.005 370 W HA 0.667 5.328 4.660 0.001 0.000 0.343 370 W C -1.455 174.885 176.519 -0.300 0.000 1.243 370 W CA -1.146 56.048 57.345 -0.250 0.000 1.186 370 W CB 0.278 29.643 29.460 -0.159 0.000 1.453 370 W HN 0.327 nan 8.180 nan 0.000 0.575 371 E N 0.864 121.139 120.200 0.125 0.000 2.452 371 E HA 0.398 4.748 4.350 0.001 0.000 0.261 371 E C 1.139 177.837 176.600 0.164 0.000 0.987 371 E CA 2.150 58.605 56.400 0.092 0.000 0.926 371 E CB 0.372 30.115 29.700 0.071 0.000 0.934 371 E HN 1.116 nan 8.360 nan 0.000 0.452 372 G N 2.987 111.840 108.800 0.088 0.000 2.159 372 G HA2 -0.340 3.621 3.960 0.001 0.000 0.256 372 G HA3 -0.340 3.621 3.960 0.001 0.000 0.256 372 G C 0.892 175.843 174.900 0.085 0.000 0.977 372 G CA 0.318 45.472 45.100 0.091 0.000 0.652 372 G HN 0.624 nan 8.290 nan 0.000 0.531 373 I N 0.224 120.769 120.570 -0.042 0.000 2.614 373 I HA 0.010 4.180 4.170 0.001 0.000 0.258 373 I C 1.315 177.316 176.117 -0.193 0.000 1.189 373 I CA 1.570 62.721 61.300 -0.249 0.000 1.462 373 I CB -0.030 37.361 38.000 -1.016 0.000 1.092 373 I HN 0.248 nan 8.210 nan 0.000 0.442 374 D N 2.483 122.801 120.400 -0.137 0.000 2.689 374 D HA -0.259 4.382 4.640 0.001 0.000 0.237 374 D C -0.115 176.146 176.300 -0.064 0.000 1.148 374 D CA 0.925 54.883 54.000 -0.069 0.000 0.656 374 D CB -0.861 39.902 40.800 -0.061 0.000 1.050 374 D HN 0.673 nan 8.370 nan 0.000 0.426 375 E N 0.160 120.326 120.200 -0.057 0.000 2.287 375 E HA 0.357 4.708 4.350 0.001 0.000 0.274 375 E C -2.454 174.197 176.600 0.084 0.000 0.896 375 E CA -1.596 54.795 56.400 -0.015 0.000 0.788 375 E CB 1.588 31.250 29.700 -0.063 0.000 1.244 375 E HN 0.007 nan 8.360 nan 0.000 0.408 376 P HA 0.201 nan 4.420 nan 0.000 0.274 376 P C -0.709 176.622 177.300 0.051 0.000 1.231 376 P CA -0.244 62.896 63.100 0.067 0.000 0.790 376 P CB 0.906 32.623 31.700 0.027 0.000 0.951 377 L N 1.263 122.492 121.223 0.010 0.000 2.317 377 L HA 0.537 4.878 4.340 0.001 0.000 0.281 377 L C 0.892 177.734 176.870 -0.046 0.000 1.024 377 L CA -1.166 53.645 54.840 -0.049 0.000 0.810 377 L CB 1.469 43.433 42.059 -0.157 0.000 1.240 377 L HN 0.450 nan 8.230 nan 0.000 0.427 378 A N 4.181 126.973 122.820 -0.046 0.000 2.507 378 A HA 0.344 4.664 4.320 0.001 0.000 0.235 378 A C -2.216 175.340 177.584 -0.046 0.000 1.070 378 A CA -0.812 51.200 52.037 -0.040 0.000 0.768 378 A CB -0.704 18.272 19.000 -0.040 0.000 1.011 378 A HN 0.490 nan 8.150 nan 0.000 0.502 379 P HA 0.244 nan 4.420 nan 0.000 0.262 379 P C 1.052 178.327 177.300 -0.042 0.000 1.182 379 P CA 1.864 64.942 63.100 -0.037 0.000 0.761 379 P CB 0.492 32.174 31.700 -0.030 0.000 0.795 380 G N 1.402 110.175 108.800 -0.045 0.000 2.279 380 G HA2 -0.230 3.730 3.960 0.001 0.000 0.223 380 G HA3 -0.230 3.730 3.960 0.001 0.000 0.223 380 G C 0.086 174.953 174.900 -0.055 0.000 1.015 380 G CA -0.154 44.919 45.100 -0.045 0.000 0.621 380 G HN 0.544 nan 8.290 nan 0.000 0.506 381 V N 3.450 123.323 119.914 -0.068 0.000 2.479 381 V HA 0.494 4.614 4.120 0.001 0.000 0.281 381 V C 1.146 177.184 176.094 -0.095 0.000 1.031 381 V CA 0.848 63.096 62.300 -0.087 0.000 1.038 381 V CB 0.630 32.389 31.823 -0.107 0.000 0.981 381 V HN 0.832 nan 8.190 nan 0.000 0.478 382 T N 3.463 117.969 114.554 -0.079 0.000 2.938 382 T HA 0.824 5.175 4.350 0.001 0.000 0.285 382 T C -0.574 174.091 174.700 -0.057 0.000 1.028 382 T CA -0.825 61.240 62.100 -0.059 0.000 1.005 382 T CB 1.870 70.719 68.868 -0.031 0.000 1.157 382 T HN 0.292 nan 8.240 nan 0.000 0.550 383 I N 0.944 121.518 120.570 0.007 0.000 2.465 383 I HA 0.371 4.542 4.170 0.001 0.000 0.291 383 I C -0.276 175.912 176.117 0.119 0.000 1.014 383 I CA -0.793 60.538 61.300 0.052 0.000 1.093 383 I CB 2.412 40.499 38.000 0.145 0.000 1.267 383 I HN 0.659 nan 8.210 nan 0.000 0.431 384 T N 4.062 118.662 114.554 0.077 0.000 2.767 384 T HA 0.306 4.657 4.350 0.001 0.000 0.284 384 T C 0.269 175.018 174.700 0.082 0.000 0.973 384 T CA -0.623 61.529 62.100 0.086 0.000 0.996 384 T CB 1.176 70.074 68.868 0.050 0.000 0.927 384 T HN 0.741 nan 8.240 nan 0.000 0.456 385 S N 3.709 119.465 115.700 0.093 0.000 2.617 385 S HA 0.136 4.606 4.470 0.001 0.000 0.259 385 S C 1.528 176.165 174.600 0.062 0.000 1.301 385 S CA -0.928 57.289 58.200 0.028 0.000 0.984 385 S CB 0.361 63.568 63.200 0.012 0.000 0.954 385 S HN 0.915 nan 8.310 nan 0.000 0.572 386 W N 0.619 121.900 121.300 -0.031 0.000 2.538 386 W HA 0.084 4.744 4.660 0.001 0.000 0.254 386 W C 0.430 176.955 176.519 0.010 0.000 1.249 386 W CA 0.491 57.840 57.345 0.006 0.000 1.253 386 W CB -0.826 28.645 29.460 0.018 0.000 1.130 386 W HN 0.638 nan 8.180 nan 0.000 0.618 387 K N 1.129 121.120 120.400 -0.681 0.000 2.437 387 K HA -0.055 4.265 4.320 0.001 0.000 0.198 387 K C 0.215 176.648 176.600 -0.278 0.000 1.024 387 K CA 0.155 56.029 56.287 -0.688 0.000 1.148 387 K CB -0.501 31.561 32.500 -0.730 0.000 0.860 387 K HN -0.062 nan 8.250 nan 0.000 0.515 388 N N 2.050 120.666 118.700 -0.140 0.000 2.727 388 N HA -0.186 4.555 4.740 0.001 0.000 0.251 388 N C -1.603 173.887 175.510 -0.033 0.000 1.040 388 N CA 0.943 53.963 53.050 -0.049 0.000 0.712 388 N CB -0.682 37.785 38.487 -0.034 0.000 0.912 388 N HN 0.207 nan 8.380 nan 0.000 0.545 389 K N -0.051 120.342 120.400 -0.012 0.000 2.508 389 K HA 0.294 4.615 4.320 0.001 0.000 0.260 389 K C -0.642 176.007 176.600 0.083 0.000 0.949 389 K CA -0.925 55.376 56.287 0.023 0.000 0.834 389 K CB 1.538 34.046 32.500 0.013 0.000 1.365 389 K HN 0.166 nan 8.250 nan 0.000 0.437 390 E N 1.134 121.379 120.200 0.074 0.000 2.414 390 E HA 0.003 4.354 4.350 0.001 0.000 0.263 390 E C -1.556 175.148 176.600 0.174 0.000 1.000 390 E CA 0.397 56.856 56.400 0.098 0.000 0.914 390 E CB 0.479 30.204 29.700 0.043 0.000 0.948 390 E HN 0.363 nan 8.360 nan 0.000 0.444 391 W N 4.063 125.359 121.300 -0.007 0.000 2.915 391 W HA 0.511 5.172 4.660 0.001 0.000 0.337 391 W C -0.994 175.523 176.519 -0.003 0.000 1.102 391 W CA -0.780 56.570 57.345 0.009 0.000 1.224 391 W CB 1.312 30.797 29.460 0.042 0.000 1.416 391 W HN 0.449 nan 8.180 nan 0.000 0.503 392 R N 4.936 124.935 120.500 -0.836 0.000 2.621 392 R HA 0.298 4.638 4.340 0.001 0.000 0.292 392 R C -1.894 173.564 176.300 -1.404 0.000 0.969 392 R CA -1.690 53.945 56.100 -0.774 0.000 0.887 392 R CB 2.071 32.112 30.300 -0.431 0.000 1.180 392 R HN 0.175 nan 8.270 nan 0.000 0.450 393 P HA -0.208 nan 4.420 nan 0.000 0.220 393 P C 0.392 177.500 177.300 -0.320 0.000 1.142 393 P CA 1.316 64.158 63.100 -0.429 0.000 0.801 393 P CB 0.368 32.031 31.700 -0.062 0.000 0.764 394 Q N -1.661 117.917 119.800 -0.369 0.000 2.247 394 Q HA 0.084 4.424 4.340 0.001 0.000 0.211 394 Q C -0.054 175.820 176.000 -0.210 0.000 0.861 394 Q CA 0.087 55.765 55.803 -0.209 0.000 0.949 394 Q CB -0.162 28.490 28.738 -0.144 0.000 1.115 394 Q HN 0.245 nan 8.270 nan 0.000 0.507 395 D N 0.149 120.333 120.400 -0.360 0.000 2.361 395 D HA -0.052 4.589 4.640 0.001 0.000 0.239 395 D C 0.823 177.103 176.300 -0.033 0.000 1.200 395 D CA 0.070 53.932 54.000 -0.229 0.000 0.915 395 D CB 0.730 41.305 40.800 -0.376 0.000 1.170 395 D HN 0.027 nan 8.370 nan 0.000 0.444 396 E N -0.116 120.104 120.200 0.033 0.000 2.158 396 E HA -0.093 4.258 4.350 0.001 0.000 0.191 396 E C -0.192 176.511 176.600 0.172 0.000 0.982 396 E CA 0.574 57.026 56.400 0.087 0.000 0.823 396 E CB 0.401 30.139 29.700 0.062 0.000 0.766 396 E HN 0.359 nan 8.360 nan 0.000 0.468 397 E N 1.969 122.318 120.200 0.249 0.000 2.301 397 E HA 0.182 4.533 4.350 0.001 0.000 0.275 397 E C -2.263 174.656 176.600 0.532 0.000 1.030 397 E CA -2.184 54.419 56.400 0.339 0.000 0.852 397 E CB 1.115 31.012 29.700 0.327 0.000 1.060 397 E HN 0.172 nan 8.360 nan 0.000 0.401 398 P HA -0.039 nan 4.420 nan 0.000 0.269 398 P C 1.058 178.349 177.300 -0.014 0.000 1.209 398 P CA -0.008 63.218 63.100 0.211 0.000 0.776 398 P CB 0.550 32.295 31.700 0.074 0.000 0.876 399 C N 0.863 119.765 119.300 -0.663 0.000 2.464 399 C HA 0.415 4.876 4.460 0.001 0.000 0.278 399 C C 1.123 176.019 174.990 -0.157 0.000 1.375 399 C CA 0.418 58.796 59.018 -1.067 0.000 1.761 399 C CB -1.318 25.355 27.740 -1.780 0.000 1.944 399 C HN 0.621 nan 8.230 nan 0.000 0.509 400 A N 0.103 122.867 122.820 -0.095 0.000 2.355 400 A HA 0.558 4.879 4.320 0.001 0.000 0.324 400 A C -0.362 176.968 177.584 -0.423 0.000 1.117 400 A CA -0.367 51.615 52.037 -0.092 0.000 0.785 400 A CB 0.075 19.084 19.000 0.016 0.000 1.254 400 A HN 0.603 nan 8.150 nan 0.000 0.453 401 H N 2.096 120.484 119.070 -1.138 0.000 2.928 401 H HA 0.071 4.627 4.556 0.001 0.000 0.338 401 H C -1.735 173.274 175.328 -0.531 0.000 1.047 401 H CA -0.723 54.631 56.048 -1.156 0.000 1.435 401 H CB 1.187 29.952 29.762 -1.662 0.000 1.428 401 H HN 0.277 nan 8.280 nan 0.000 0.590 402 P HA -0.118 nan 4.420 nan 0.000 0.221 402 P C 0.712 177.842 177.300 -0.283 0.000 1.145 402 P CA 1.318 64.157 63.100 -0.434 0.000 0.795 402 P CB 0.245 31.694 31.700 -0.418 0.000 0.775 403 N N -1.002 117.605 118.700 -0.155 0.000 2.276 403 N HA 0.008 4.749 4.740 0.001 0.000 0.212 403 N C -0.277 175.225 175.510 -0.014 0.000 1.127 403 N CA -0.179 52.867 53.050 -0.007 0.000 0.834 403 N CB -0.232 38.295 38.487 0.067 0.000 1.014 403 N HN -0.012 nan 8.380 nan 0.000 0.491 404 S N -0.298 115.345 115.700 -0.095 0.000 2.576 404 S HA 0.316 4.787 4.470 0.001 0.000 0.272 404 S C 0.107 174.575 174.600 -0.220 0.000 1.352 404 S CA -0.353 57.782 58.200 -0.108 0.000 1.021 404 S CB 1.132 64.260 63.200 -0.120 0.000 0.887 404 S HN 0.103 nan 8.310 nan 0.000 0.542 405 R N 0.544 120.919 120.500 -0.208 0.000 2.771 405 R HA 0.502 4.843 4.340 0.001 0.000 0.274 405 R C -1.141 175.005 176.300 -0.256 0.000 0.987 405 R CA -0.668 55.141 56.100 -0.485 0.000 0.908 405 R CB 1.452 31.266 30.300 -0.811 0.000 1.213 405 R HN 0.793 nan 8.270 nan 0.000 0.468 406 F N -1.189 118.562 119.950 -0.332 0.000 2.458 406 F HA 0.671 5.198 4.527 0.001 0.000 0.330 406 F C -0.188 175.436 175.800 -0.295 0.000 1.082 406 F CA -1.487 56.281 58.000 -0.386 0.000 0.995 406 F CB 1.222 39.980 39.000 -0.404 0.000 1.170 406 F HN 0.320 nan 8.300 nan 0.000 0.478 407 C N 3.331 122.626 119.300 -0.009 0.000 2.356 407 C HA 0.753 5.213 4.460 0.001 0.000 0.324 407 C C -0.575 174.445 174.990 0.051 0.000 1.167 407 C CA 0.079 59.164 59.018 0.111 0.000 1.420 407 C CB -0.223 27.605 27.740 0.148 0.000 2.036 407 C HN 1.091 nan 8.230 nan 0.000 0.435 408 T N 6.762 121.381 114.554 0.108 0.000 2.893 408 T HA 0.619 4.969 4.350 0.001 0.000 0.293 408 T C -2.974 171.681 174.700 -0.075 0.000 1.027 408 T CA -1.127 60.990 62.100 0.030 0.000 0.988 408 T CB 1.807 70.706 68.868 0.052 0.000 1.043 408 T HN 0.470 nan 8.240 nan 0.000 0.461 409 P HA 0.227 nan 4.420 nan 0.000 0.267 409 P C 0.195 177.281 177.300 -0.357 0.000 1.205 409 P CA -0.093 62.890 63.100 -0.195 0.000 0.765 409 P CB 0.523 32.163 31.700 -0.100 0.000 0.828 410 A N 3.633 126.062 122.820 -0.652 0.000 1.933 410 A HA -0.184 4.137 4.320 0.001 0.000 0.218 410 A C 2.128 179.276 177.584 -0.725 0.000 1.175 410 A CA 2.141 53.531 52.037 -1.078 0.000 0.628 410 A CB -1.613 16.510 19.000 -1.461 0.000 0.814 410 A HN 0.585 nan 8.150 nan 0.000 0.444 411 S N -0.640 114.791 115.700 -0.448 0.000 2.465 411 S HA -0.220 4.251 4.470 0.001 0.000 0.241 411 S C 1.669 176.206 174.600 -0.106 0.000 1.000 411 S CA 1.468 59.567 58.200 -0.168 0.000 0.964 411 S CB -0.428 62.836 63.200 0.107 0.000 0.763 411 S HN 0.702 nan 8.310 nan 0.000 0.512 412 Q N -0.313 119.423 119.800 -0.107 0.000 2.424 412 Q HA 0.200 4.541 4.340 0.001 0.000 0.204 412 Q C 0.630 176.612 176.000 -0.029 0.000 0.933 412 Q CA -0.052 55.724 55.803 -0.045 0.000 0.929 412 Q CB 0.089 28.808 28.738 -0.031 0.000 1.037 412 Q HN 0.659 nan 8.270 nan 0.000 0.511 413 C N 2.129 121.416 119.300 -0.022 0.000 2.633 413 C HA 0.079 4.540 4.460 0.001 0.000 0.415 413 C C -1.190 173.784 174.990 -0.027 0.000 1.393 413 C CA -1.512 57.513 59.018 0.012 0.000 1.700 413 C CB 0.453 28.255 27.740 0.104 0.000 2.541 413 C HN 0.321 nan 8.230 nan 0.000 0.603 414 P HA -0.021 nan 4.420 nan 0.000 0.223 414 P C 0.595 177.887 177.300 -0.012 0.000 1.151 414 P CA 1.288 64.377 63.100 -0.017 0.000 0.787 414 P CB -0.125 31.562 31.700 -0.022 0.000 0.788 415 I N -5.346 115.213 120.570 -0.018 0.000 3.762 415 I HA 0.320 4.491 4.170 0.001 0.000 0.333 415 I C 0.181 176.297 176.117 -0.001 0.000 1.566 415 I CA -0.962 60.335 61.300 -0.005 0.000 1.129 415 I CB -0.196 37.799 38.000 -0.008 0.000 1.218 415 I HN -0.314 nan 8.210 nan 0.000 0.456 416 I N 2.466 123.018 120.570 -0.031 0.000 2.752 416 I HA -0.020 4.151 4.170 0.001 0.000 0.289 416 I C 0.494 176.635 176.117 0.040 0.000 1.197 416 I CA 0.449 61.697 61.300 -0.087 0.000 1.432 416 I CB 0.205 38.003 38.000 -0.336 0.000 1.359 416 I HN 0.343 nan 8.210 nan 0.000 0.571 417 D N 9.123 129.602 120.400 0.133 0.000 2.424 417 D HA 0.126 4.767 4.640 0.001 0.000 0.244 417 D C -1.480 175.015 176.300 0.325 0.000 1.134 417 D CA -0.943 53.203 54.000 0.243 0.000 0.881 417 D CB 1.046 42.052 40.800 0.344 0.000 1.191 417 D HN 0.363 nan 8.370 nan 0.000 0.445 418 P HA -0.153 nan 4.420 nan 0.000 0.219 418 P C 0.321 177.748 177.300 0.211 0.000 1.146 418 P CA 0.894 64.126 63.100 0.220 0.000 0.808 418 P CB 0.080 31.869 31.700 0.149 0.000 0.779 419 A N -0.335 122.622 122.820 0.229 0.000 2.379 419 A HA 0.045 4.366 4.320 0.001 0.000 0.236 419 A C 1.765 179.410 177.584 0.101 0.000 1.272 419 A CA -0.545 51.568 52.037 0.127 0.000 0.886 419 A CB -1.568 17.498 19.000 0.110 0.000 0.962 419 A HN 0.359 nan 8.150 nan 0.000 0.504 420 W N 0.429 121.753 121.300 0.040 0.000 2.421 420 W HA -0.037 4.624 4.660 0.001 0.000 0.270 420 W C 0.121 176.625 176.519 -0.025 0.000 1.233 420 W CA 1.306 58.663 57.345 0.020 0.000 1.226 420 W CB -0.263 29.228 29.460 0.052 0.000 1.121 420 W HN 0.497 nan 8.180 nan 0.000 0.579 421 E N 0.729 120.514 120.200 -0.692 0.000 2.583 421 E HA 0.034 4.384 4.350 0.001 0.000 0.213 421 E C 0.185 176.563 176.600 -0.370 0.000 0.989 421 E CA -0.174 55.781 56.400 -0.741 0.000 0.991 421 E CB 0.596 29.710 29.700 -0.977 0.000 1.040 421 E HN -0.114 nan 8.360 nan 0.000 0.481 422 S N 2.824 118.383 115.700 -0.234 0.000 2.515 422 S HA 0.024 4.495 4.470 0.001 0.000 0.285 422 S C -1.284 173.225 174.600 -0.151 0.000 1.265 422 S CA -1.223 56.885 58.200 -0.153 0.000 1.079 422 S CB 0.648 63.787 63.200 -0.103 0.000 0.877 422 S HN 0.071 nan 8.310 nan 0.000 0.493 423 P HA -0.139 nan 4.420 nan 0.000 0.220 423 P C 1.039 178.278 177.300 -0.101 0.000 1.148 423 P CA 0.923 63.952 63.100 -0.119 0.000 0.803 423 P CB 0.058 31.699 31.700 -0.098 0.000 0.782 424 E N 0.395 120.540 120.200 -0.092 0.000 2.442 424 E HA 0.124 4.475 4.350 0.001 0.000 0.195 424 E C 0.948 177.491 176.600 -0.094 0.000 1.030 424 E CA 0.798 57.148 56.400 -0.083 0.000 0.869 424 E CB -0.567 29.093 29.700 -0.066 0.000 0.857 424 E HN 0.165 nan 8.360 nan 0.000 0.505 425 G N 0.629 109.361 108.800 -0.113 0.000 2.756 425 G HA2 -0.171 3.790 3.960 0.001 0.000 0.678 425 G HA3 -0.171 3.790 3.960 0.001 0.000 0.678 425 G C -0.251 174.534 174.900 -0.191 0.000 1.349 425 G CA -0.299 44.720 45.100 -0.134 0.000 0.847 425 G HN 0.719 nan 8.290 nan 0.000 0.548 426 V N -1.909 117.834 119.914 -0.286 0.000 2.532 426 V HA 0.827 4.948 4.120 0.001 0.000 0.295 426 V C -2.249 173.647 176.094 -0.331 0.000 1.041 426 V CA -2.321 59.657 62.300 -0.537 0.000 0.926 426 V CB 1.978 33.046 31.823 -1.259 0.000 0.992 426 V HN 0.727 nan 8.190 nan 0.000 0.457 427 P HA 0.365 nan 4.420 nan 0.000 0.281 427 P C -0.591 176.745 177.300 0.058 0.000 1.286 427 P CA -0.141 62.939 63.100 -0.033 0.000 0.772 427 P CB 0.377 32.098 31.700 0.034 0.000 0.862 428 I N 4.163 124.750 120.570 0.029 0.000 2.337 428 I HA 0.114 4.285 4.170 0.001 0.000 0.291 428 I C 1.288 177.463 176.117 0.097 0.000 1.046 428 I CA 0.223 61.576 61.300 0.087 0.000 1.324 428 I CB 0.236 38.268 38.000 0.053 0.000 1.409 428 I HN 0.446 nan 8.210 nan 0.000 0.494 429 E N 3.853 124.125 120.200 0.120 0.000 2.489 429 E HA 0.268 4.619 4.350 0.001 0.000 0.204 429 E C 0.754 177.437 176.600 0.138 0.000 1.006 429 E CA -0.127 56.332 56.400 0.098 0.000 0.936 429 E CB 1.065 30.789 29.700 0.040 0.000 1.002 429 E HN 0.793 nan 8.360 nan 0.000 0.488 430 G N 0.971 109.875 108.800 0.173 0.000 2.746 430 G HA2 0.574 4.535 3.960 0.001 0.000 0.297 430 G HA3 0.574 4.535 3.960 0.001 0.000 0.297 430 G C -1.299 173.718 174.900 0.195 0.000 1.426 430 G CA -0.649 44.596 45.100 0.242 0.000 0.989 430 G HN -0.035 nan 8.290 nan 0.000 0.520 431 I N 1.430 122.096 120.570 0.160 0.000 2.465 431 I HA 0.466 4.636 4.170 0.001 0.000 0.291 431 I C -0.585 175.451 176.117 -0.135 0.000 1.014 431 I CA -0.797 60.493 61.300 -0.017 0.000 1.093 431 I CB 2.217 40.203 38.000 -0.023 0.000 1.267 431 I HN 0.217 nan 8.210 nan 0.000 0.431 432 I N 5.688 126.111 120.570 -0.246 0.000 2.406 432 I HA 0.410 4.580 4.170 0.001 0.000 0.290 432 I C -0.811 175.061 176.117 -0.410 0.000 0.999 432 I CA -0.431 60.766 61.300 -0.171 0.000 1.124 432 I CB 1.290 39.297 38.000 0.012 0.000 1.289 432 I HN 0.275 nan 8.210 nan 0.000 0.441 433 F N 3.154 123.085 119.950 -0.031 0.000 2.450 433 F HA 0.876 5.403 4.527 0.001 0.000 0.328 433 F C 0.846 176.519 175.800 -0.212 0.000 1.068 433 F CA -0.734 57.216 58.000 -0.083 0.000 1.007 433 F CB 1.930 40.885 39.000 -0.074 0.000 1.251 433 F HN 0.452 nan 8.300 nan 0.000 0.492 434 G N -0.866 107.977 108.800 0.071 0.000 2.576 434 G HA2 0.614 4.574 3.960 0.001 0.000 0.290 434 G HA3 0.614 4.574 3.960 0.001 0.000 0.290 434 G C -1.430 173.379 174.900 -0.151 0.000 1.442 434 G CA -0.293 44.611 45.100 -0.326 0.000 0.792 434 G HN 0.981 nan 8.290 nan 0.000 0.491 435 G N -0.950 107.699 108.800 -0.253 0.000 2.576 435 G HA2 0.558 4.519 3.960 0.001 0.000 0.290 435 G HA3 0.558 4.519 3.960 0.001 0.000 0.290 435 G C -1.369 173.473 174.900 -0.097 0.000 1.442 435 G CA -0.896 44.141 45.100 -0.104 0.000 0.792 435 G HN 0.610 nan 8.290 nan 0.000 0.491 436 R N 0.985 121.386 120.500 -0.166 0.000 2.205 436 R HA 0.446 4.787 4.340 0.001 0.000 0.342 436 R C -0.684 175.589 176.300 -0.046 0.000 1.058 436 R CA -0.547 55.428 56.100 -0.208 0.000 0.904 436 R CB 0.240 30.206 30.300 -0.558 0.000 1.089 436 R HN 0.265 nan 8.270 nan 0.000 0.471 437 R N 5.861 126.402 120.500 0.068 0.000 2.422 437 R HA 0.227 4.568 4.340 0.001 0.000 0.307 437 R C -2.061 174.268 176.300 0.048 0.000 1.004 437 R CA -2.280 53.844 56.100 0.039 0.000 0.882 437 R CB 1.735 32.059 30.300 0.040 0.000 1.164 437 R HN 0.520 nan 8.270 nan 0.000 0.489 438 P HA -0.051 nan 4.420 nan 0.000 0.223 438 P C -0.115 177.143 177.300 -0.069 0.000 1.151 438 P CA 0.827 63.923 63.100 -0.008 0.000 0.787 438 P CB 0.600 32.274 31.700 -0.043 0.000 0.788 439 A N -1.898 120.852 122.820 -0.116 0.000 2.498 439 A HA 0.651 4.972 4.320 0.001 0.000 0.298 439 A C 0.979 178.162 177.584 -0.669 0.000 1.075 439 A CA -0.021 51.852 52.037 -0.275 0.000 0.714 439 A CB 1.106 20.000 19.000 -0.177 0.000 1.299 439 A HN 0.163 nan 8.150 nan 0.000 0.407 440 G N -0.631 107.594 108.800 -0.958 0.000 2.458 440 G HA2 -0.186 3.775 3.960 0.001 0.000 0.237 440 G HA3 -0.186 3.775 3.960 0.001 0.000 0.237 440 G C 0.350 174.834 174.900 -0.695 0.000 1.113 440 G CA 0.467 44.532 45.100 -1.724 0.000 0.655 440 G HN 1.684 nan 8.290 nan 0.000 0.513 441 V N 3.650 123.357 119.914 -0.345 0.000 2.364 441 V HA 0.454 4.575 4.120 0.001 0.000 0.272 441 V C -1.457 174.680 176.094 0.073 0.000 1.036 441 V CA -1.417 60.943 62.300 0.101 0.000 0.880 441 V CB 1.380 33.316 31.823 0.189 0.000 0.991 441 V HN 0.157 nan 8.190 nan 0.000 0.460 442 P HA -0.059 nan 4.420 nan 0.000 0.269 442 P C 0.856 178.059 177.300 -0.162 0.000 1.205 442 P CA -0.075 63.004 63.100 -0.035 0.000 0.780 442 P CB 0.563 32.373 31.700 0.183 0.000 0.858 443 L N 3.835 124.701 121.223 -0.595 0.000 2.013 443 L HA -0.063 4.278 4.340 0.001 0.000 0.212 443 L C 0.527 177.182 176.870 -0.358 0.000 1.073 443 L CA 2.119 56.586 54.840 -0.623 0.000 0.753 443 L CB -0.216 41.199 42.059 -1.073 0.000 0.890 443 L HN 0.228 nan 8.230 nan 0.000 0.432 444 V N -0.732 119.109 119.914 -0.121 0.000 2.891 444 V HA 0.463 4.584 4.120 0.001 0.000 0.304 444 V C -1.615 174.678 176.094 0.332 0.000 1.171 444 V CA -0.558 61.784 62.300 0.071 0.000 0.943 444 V CB 1.900 33.734 31.823 0.019 0.000 1.037 444 V HN 0.397 nan 8.190 nan 0.000 0.427 445 Y N 2.503 122.990 120.300 0.311 0.000 2.615 445 Y HA 0.829 5.380 4.550 0.001 0.000 0.341 445 Y C -0.895 175.350 175.900 0.576 0.000 1.089 445 Y CA -0.975 57.362 58.100 0.394 0.000 1.049 445 Y CB 1.682 40.298 38.460 0.260 0.000 1.296 445 Y HN 0.705 nan 8.280 nan 0.000 0.470 446 E N 1.981 122.636 120.200 0.757 0.000 2.222 446 E HA 0.703 5.053 4.350 0.001 0.000 0.267 446 E C -0.955 175.914 176.600 0.449 0.000 0.884 446 E CA -1.148 55.550 56.400 0.498 0.000 0.764 446 E CB 1.901 31.909 29.700 0.513 0.000 1.169 446 E HN 1.059 nan 8.360 nan 0.000 0.413 447 A N 4.115 127.078 122.820 0.238 0.000 2.466 447 A HA 0.134 4.454 4.320 0.001 0.000 0.238 447 A C 0.918 178.756 177.584 0.425 0.000 1.074 447 A CA -0.076 52.154 52.037 0.322 0.000 0.774 447 A CB 0.254 19.305 19.000 0.085 0.000 1.015 447 A HN 0.832 nan 8.150 nan 0.000 0.498 448 L N 1.030 122.598 121.223 0.574 0.000 2.418 448 L HA 0.082 4.423 4.340 0.001 0.000 0.218 448 L C 0.954 177.983 176.870 0.265 0.000 1.125 448 L CA 1.096 56.108 54.840 0.286 0.000 0.835 448 L CB -0.515 41.525 42.059 -0.031 0.000 0.953 448 L HN 0.914 nan 8.230 nan 0.000 0.454 449 S N -3.887 111.989 115.700 0.293 0.000 2.636 449 S HA 0.017 4.488 4.470 0.001 0.000 0.266 449 S C -0.099 174.696 174.600 0.325 0.000 1.147 449 S CA -0.918 57.443 58.200 0.269 0.000 0.815 449 S CB 0.152 63.485 63.200 0.222 0.000 1.119 449 S HN 0.204 nan 8.310 nan 0.000 0.470 450 W N 1.180 122.570 121.300 0.150 0.000 2.335 450 W HA -0.195 4.466 4.660 0.001 0.000 0.311 450 W C 1.567 178.223 176.519 0.228 0.000 1.213 450 W CA 2.470 59.924 57.345 0.182 0.000 1.274 450 W CB -0.399 29.147 29.460 0.143 0.000 1.148 450 W HN 0.865 nan 8.180 nan 0.000 0.498 451 Q N -1.029 118.930 119.800 0.266 0.000 2.084 451 Q HA -0.246 4.095 4.340 0.001 0.000 0.202 451 Q C 2.290 178.394 176.000 0.174 0.000 0.978 451 Q CA 2.095 58.006 55.803 0.180 0.000 0.844 451 Q CB -1.298 27.571 28.738 0.219 0.000 0.898 451 Q HN 0.488 nan 8.270 nan 0.000 0.426 452 H N -0.624 118.505 119.070 0.099 0.000 2.353 452 H HA -0.095 4.462 4.556 0.001 0.000 0.300 452 H C 1.867 177.293 175.328 0.163 0.000 1.090 452 H CA 1.172 57.293 56.048 0.121 0.000 1.327 452 H CB -0.006 29.806 29.762 0.084 0.000 1.383 452 H HN 0.381 nan 8.280 nan 0.000 0.508 453 G N 0.337 109.123 108.800 -0.024 0.000 2.418 453 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 453 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 453 G C 1.858 176.648 174.900 -0.183 0.000 1.158 453 G CA 1.050 46.079 45.100 -0.119 0.000 0.771 453 G HN 0.343 nan 8.290 nan 0.000 0.545 454 V N 0.523 120.309 119.914 -0.213 0.000 2.343 454 V HA -0.139 3.981 4.120 0.001 0.000 0.247 454 V C 2.326 178.389 176.094 -0.052 0.000 1.051 454 V CA 1.810 64.042 62.300 -0.113 0.000 1.036 454 V CB -0.683 31.125 31.823 -0.024 0.000 0.654 454 V HN 0.412 nan 8.190 nan 0.000 0.451 455 F N 0.850 120.739 119.950 -0.102 0.000 2.126 455 F HA -0.189 4.338 4.527 0.001 0.000 0.299 455 F C 2.199 177.899 175.800 -0.167 0.000 1.096 455 F CA 1.847 59.812 58.000 -0.058 0.000 1.255 455 F CB -0.364 38.655 39.000 0.032 0.000 0.997 455 F HN -0.034 nan 8.300 nan 0.000 0.479 456 V N 0.745 120.473 119.914 -0.311 0.000 2.343 456 V HA -0.252 3.869 4.120 0.001 0.000 0.247 456 V C 2.795 178.442 176.094 -0.745 0.000 1.051 456 V CA 1.980 64.027 62.300 -0.422 0.000 1.036 456 V CB -1.685 30.020 31.823 -0.198 0.000 0.654 456 V HN 0.573 nan 8.190 nan 0.000 0.451 457 G N -0.321 107.701 108.800 -1.295 0.000 2.446 457 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 457 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 457 G C 1.740 175.876 174.900 -1.273 0.000 1.168 457 G CA 1.044 44.667 45.100 -2.462 0.000 0.771 457 G HN 0.626 nan 8.290 nan 0.000 0.551 458 A N 0.694 123.176 122.820 -0.563 0.000 2.019 458 A HA 0.382 4.702 4.320 0.001 0.000 0.219 458 A C 2.522 180.045 177.584 -0.101 0.000 1.164 458 A CA 1.966 54.053 52.037 0.083 0.000 0.644 458 A CB -0.365 18.775 19.000 0.234 0.000 0.805 458 A HN 0.823 nan 8.150 nan 0.000 0.449 459 A N -1.176 121.389 122.820 -0.424 0.000 2.275 459 A HA 0.454 4.775 4.320 0.001 0.000 0.212 459 A C 0.922 178.356 177.584 -0.251 0.000 1.201 459 A CA -0.325 51.490 52.037 -0.370 0.000 0.843 459 A CB -0.470 18.128 19.000 -0.671 0.000 0.873 459 A HN 0.505 nan 8.150 nan 0.000 0.492 460 M N 1.016 120.460 119.600 -0.260 0.000 2.261 460 M HA 0.106 4.586 4.480 0.001 0.000 0.350 460 M C 0.216 176.405 176.300 -0.184 0.000 1.343 460 M CA 1.064 56.268 55.300 -0.160 0.000 1.003 460 M CB 0.207 32.721 32.600 -0.144 0.000 1.848 460 M HN 0.315 nan 8.290 nan 0.000 0.456 461 R N 1.183 121.579 120.500 -0.173 0.000 2.808 461 R HA 0.769 5.110 4.340 0.001 0.000 0.272 461 R C -1.249 174.964 176.300 -0.146 0.000 0.995 461 R CA -0.910 55.025 56.100 -0.276 0.000 0.917 461 R CB 2.434 32.464 30.300 -0.449 0.000 1.217 461 R HN 0.635 nan 8.270 nan 0.000 0.471 462 S N 0.035 115.638 115.700 -0.161 0.000 2.542 462 S HA 0.109 4.580 4.470 0.001 0.000 0.276 462 S C -1.594 172.928 174.600 -0.129 0.000 1.148 462 S CA -0.755 57.371 58.200 -0.123 0.000 0.886 462 S CB 1.652 64.790 63.200 -0.104 0.000 1.109 462 S HN 0.587 nan 8.310 nan 0.000 0.458 463 E N 1.990 122.114 120.200 -0.126 0.000 2.360 463 E HA 0.576 4.926 4.350 0.001 0.000 0.269 463 E C -0.305 176.230 176.600 -0.109 0.000 1.022 463 E CA -0.094 56.240 56.400 -0.109 0.000 0.887 463 E CB 0.838 30.480 29.700 -0.096 0.000 0.990 463 E HN 0.684 nan 8.360 nan 0.000 0.426 464 A N 3.243 126.013 122.820 -0.084 0.000 2.564 464 A HA 0.795 5.116 4.320 0.001 0.000 0.288 464 A C -0.531 177.021 177.584 -0.053 0.000 1.164 464 A CA 0.038 52.033 52.037 -0.070 0.000 0.712 464 A CB 1.626 20.589 19.000 -0.062 0.000 1.303 464 A HN 0.769 nan 8.150 nan 0.000 0.418 472 G N 0.654 109.447 108.800 -0.011 0.000 2.559 472 G HA2 0.438 4.399 3.960 0.001 0.000 0.291 472 G HA3 0.438 4.399 3.960 0.001 0.000 0.291 472 G C -1.994 172.893 174.900 -0.021 0.000 1.424 472 G CA -0.750 44.340 45.100 -0.016 0.000 0.786 472 G HN -0.058 nan 8.290 nan 0.000 0.485 473 K N -0.283 120.101 120.400 -0.026 0.000 2.208 473 K HA 0.762 5.083 4.320 0.001 0.000 0.247 473 K C -0.900 175.677 176.600 -0.037 0.000 0.953 473 K CA -0.707 55.560 56.287 -0.033 0.000 0.837 473 K CB 2.394 34.871 32.500 -0.038 0.000 1.131 473 K HN 0.332 nan 8.250 nan 0.000 0.431 474 V N 3.127 123.015 119.914 -0.044 0.000 2.656 474 V HA 0.375 4.496 4.120 0.001 0.000 0.307 474 V C -0.260 175.791 176.094 -0.071 0.000 1.051 474 V CA -0.975 61.295 62.300 -0.050 0.000 0.893 474 V CB 2.027 33.826 31.823 -0.040 0.000 0.999 474 V HN 0.539 nan 8.190 nan 0.000 0.426 475 I N 4.920 125.437 120.570 -0.089 0.000 2.291 475 I HA 0.376 4.547 4.170 0.001 0.000 0.290 475 I C 0.049 176.063 176.117 -0.173 0.000 1.050 475 I CA -0.088 61.132 61.300 -0.134 0.000 1.245 475 I CB 0.945 38.854 38.000 -0.151 0.000 1.405 475 I HN 0.601 nan 8.210 nan 0.000 0.478 476 M N 5.857 125.357 119.600 -0.167 0.000 2.444 476 M HA 0.348 4.829 4.480 0.001 0.000 0.319 476 M C 0.046 176.184 176.300 -0.271 0.000 1.183 476 M CA -0.193 55.016 55.300 -0.152 0.000 1.032 476 M CB 0.871 33.420 32.600 -0.085 0.000 1.569 476 M HN 0.313 nan 8.290 nan 0.000 0.468 477 H N 1.433 120.354 119.070 -0.249 0.000 2.527 477 H HA 0.241 4.798 4.556 0.001 0.000 0.321 477 H C -0.966 174.215 175.328 -0.244 0.000 1.087 477 H CA 0.059 55.866 56.048 -0.402 0.000 1.337 477 H CB 0.979 30.177 29.762 -0.939 0.000 1.440 477 H HN 0.442 nan 8.280 nan 0.000 0.490 478 D N 4.804 125.143 120.400 -0.101 0.000 2.621 478 D HA 0.152 4.792 4.640 0.001 0.000 0.274 478 D C -2.694 173.585 176.300 -0.034 0.000 1.215 478 D CA -1.810 52.159 54.000 -0.051 0.000 0.810 478 D CB 0.935 41.717 40.800 -0.029 0.000 1.248 478 D HN 0.236 nan 8.370 nan 0.000 0.517 479 P HA -0.006 nan 4.420 nan 0.000 0.260 479 P C 0.224 177.662 177.300 0.229 0.000 1.185 479 P CA 0.042 63.175 63.100 0.054 0.000 0.763 479 P CB -0.022 31.650 31.700 -0.047 0.000 0.776 480 F N 1.601 121.478 119.950 -0.122 0.000 3.048 480 F HA -0.298 4.230 4.527 0.001 0.000 0.287 480 F C 1.461 177.347 175.800 0.142 0.000 0.796 480 F CA 1.085 59.085 58.000 0.000 0.000 1.111 480 F CB -2.631 36.469 39.000 0.167 0.000 1.320 480 F HN 0.580 nan 8.300 nan 0.000 0.430 481 A N -1.487 121.460 122.820 0.211 0.000 2.816 481 A HA -0.300 4.020 4.320 0.001 0.000 0.270 481 A C 1.359 179.124 177.584 0.301 0.000 1.413 481 A CA 1.692 53.887 52.037 0.262 0.000 0.866 481 A CB -1.415 17.761 19.000 0.294 0.000 1.032 481 A HN 0.443 nan 8.150 nan 0.000 0.642 482 M N -1.627 117.955 119.600 -0.030 0.000 2.346 482 M HA 0.145 4.626 4.480 0.001 0.000 0.280 482 M C 1.622 177.336 176.300 -0.977 0.000 1.075 482 M CA 0.361 55.380 55.300 -0.468 0.000 0.989 482 M CB -0.341 31.678 32.600 -0.968 0.000 1.447 482 M HN 0.623 nan 8.290 nan 0.000 0.511 483 R N 1.767 121.963 120.500 -0.508 0.000 2.096 483 R HA -0.150 4.191 4.340 0.001 0.000 0.240 483 R C -1.050 175.007 176.300 -0.405 0.000 1.139 483 R CA 1.793 57.704 56.100 -0.315 0.000 0.952 483 R CB -0.893 29.333 30.300 -0.123 0.000 0.854 483 R HN 0.186 nan 8.270 nan 0.000 0.436 484 P HA 0.029 nan 4.420 nan 0.000 0.249 484 P C -0.160 176.627 177.300 -0.855 0.000 1.229 484 P CA 0.832 63.434 63.100 -0.829 0.000 0.788 484 P CB 0.176 31.167 31.700 -1.182 0.000 1.072 485 F N -3.251 116.501 119.950 -0.329 0.000 2.817 485 F HA 0.309 4.836 4.527 0.001 0.000 0.333 485 F C 0.606 176.235 175.800 -0.285 0.000 1.085 485 F CA -1.008 56.814 58.000 -0.298 0.000 1.170 485 F CB -0.646 38.166 39.000 -0.312 0.000 1.066 485 F HN -0.317 nan 8.300 nan 0.000 0.564 486 F N 1.184 121.098 119.950 -0.059 0.000 2.590 486 F HA 0.263 4.790 4.527 0.001 0.000 0.389 486 F C 1.703 177.463 175.800 -0.066 0.000 1.049 486 F CA 0.004 57.910 58.000 -0.156 0.000 1.199 486 F CB 0.133 38.955 39.000 -0.296 0.000 1.058 486 F HN 0.106 nan 8.300 nan 0.000 0.556 487 G N 3.036 111.965 108.800 0.216 0.000 2.813 487 G HA2 0.086 4.046 3.960 0.001 0.000 0.209 487 G HA3 0.086 4.046 3.960 0.001 0.000 0.209 487 G C -0.362 174.727 174.900 0.315 0.000 1.150 487 G CA 0.619 45.854 45.100 0.225 0.000 0.785 487 G HN 0.690 nan 8.290 nan 0.000 0.535 488 Y N -2.841 117.535 120.300 0.127 0.000 2.788 488 Y HA 0.477 5.027 4.550 0.001 0.000 0.335 488 Y C -0.605 175.327 175.900 0.053 0.000 1.287 488 Y CA -2.317 55.828 58.100 0.075 0.000 1.068 488 Y CB 0.121 38.605 38.460 0.041 0.000 1.340 488 Y HN -0.160 nan 8.280 nan 0.000 0.449 489 N N 1.725 120.461 118.700 0.060 0.000 2.236 489 N HA -0.148 4.593 4.740 0.001 0.000 0.274 489 N C 0.521 175.865 175.510 -0.277 0.000 1.339 489 N CA 0.505 53.512 53.050 -0.071 0.000 0.845 489 N CB 0.064 38.571 38.487 0.033 0.000 1.091 489 N HN 0.795 nan 8.380 nan 0.000 0.489 490 F N 4.652 124.258 119.950 -0.573 0.000 2.216 490 F HA 0.045 4.573 4.527 0.001 0.000 0.300 490 F C 1.978 177.565 175.800 -0.355 0.000 1.085 490 F CA 1.718 59.220 58.000 -0.830 0.000 1.326 490 F CB -0.592 37.727 39.000 -1.135 0.000 1.027 490 F HN 0.538 nan 8.300 nan 0.000 0.497 491 G N 0.811 109.342 108.800 -0.450 0.000 2.418 491 G HA2 -0.246 3.715 3.960 0.001 0.000 0.217 491 G HA3 -0.246 3.715 3.960 0.001 0.000 0.217 491 G C 1.776 176.565 174.900 -0.185 0.000 1.158 491 G CA 0.672 45.542 45.100 -0.384 0.000 0.771 491 G HN 0.229 nan 8.290 nan 0.000 0.545 492 K N -0.215 120.161 120.400 -0.040 0.000 2.211 492 K HA -0.058 4.262 4.320 0.001 0.000 0.203 492 K C 2.048 178.827 176.600 0.299 0.000 1.050 492 K CA 0.726 57.099 56.287 0.143 0.000 0.945 492 K CB -0.464 32.187 32.500 0.250 0.000 0.732 492 K HN 0.534 nan 8.250 nan 0.000 0.451 493 Y N 1.819 122.128 120.300 0.015 0.000 2.200 493 Y HA -0.135 4.415 4.550 0.001 0.000 0.290 493 Y C 1.972 177.946 175.900 0.123 0.000 1.137 493 Y CA 1.192 59.346 58.100 0.091 0.000 1.163 493 Y CB -0.323 37.992 38.460 -0.242 0.000 0.988 493 Y HN -0.119 nan 8.280 nan 0.000 0.518 494 L N -0.014 121.190 121.223 -0.030 0.000 2.046 494 L HA -0.217 4.124 4.340 0.001 0.000 0.208 494 L C 2.838 179.762 176.870 0.091 0.000 1.077 494 L CA 1.232 56.025 54.840 -0.078 0.000 0.747 494 L CB -1.055 40.849 42.059 -0.259 0.000 0.896 494 L HN 0.347 nan 8.230 nan 0.000 0.432 495 A N -0.678 122.198 122.820 0.093 0.000 1.940 495 A HA -0.305 4.015 4.320 0.001 0.000 0.219 495 A C 2.118 179.837 177.584 0.225 0.000 1.176 495 A CA 2.035 54.161 52.037 0.149 0.000 0.631 495 A CB -0.805 18.262 19.000 0.111 0.000 0.814 495 A HN 0.501 nan 8.150 nan 0.000 0.446 496 H N -2.080 117.070 119.070 0.134 0.000 2.321 496 H HA -0.175 4.382 4.556 0.001 0.000 0.300 496 H C 1.765 177.182 175.328 0.147 0.000 1.087 496 H CA 2.109 58.223 56.048 0.110 0.000 1.319 496 H CB -0.404 29.414 29.762 0.093 0.000 1.379 496 H HN 0.620 nan 8.280 nan 0.000 0.501 497 W N 0.699 121.968 121.300 -0.051 0.000 2.335 497 W HA -0.172 4.489 4.660 0.001 0.000 0.311 497 W C 2.544 179.283 176.519 0.366 0.000 1.213 497 W CA 1.593 58.984 57.345 0.076 0.000 1.274 497 W CB -0.693 28.736 29.460 -0.051 0.000 1.148 497 W HN 0.193 nan 8.180 nan 0.000 0.498 498 L N 0.231 121.761 121.223 0.512 0.000 2.079 498 L HA -0.280 4.061 4.340 0.001 0.000 0.210 498 L C 2.640 179.783 176.870 0.455 0.000 1.081 498 L CA 1.747 56.897 54.840 0.516 0.000 0.752 498 L CB -1.311 40.959 42.059 0.351 0.000 0.896 498 L HN 0.059 nan 8.230 nan 0.000 0.433 499 S N -0.596 115.282 115.700 0.298 0.000 2.442 499 S HA -0.186 4.284 4.470 0.001 0.000 0.236 499 S C 1.913 176.572 174.600 0.099 0.000 1.007 499 S CA 0.910 59.237 58.200 0.213 0.000 0.965 499 S CB -0.360 62.910 63.200 0.117 0.000 0.773 499 S HN 0.359 nan 8.310 nan 0.000 0.504 500 M N 1.498 121.125 119.600 0.045 0.000 2.159 500 M HA 0.012 4.493 4.480 0.001 0.000 0.263 500 M C 2.601 178.658 176.300 -0.405 0.000 1.063 500 M CA 1.526 56.719 55.300 -0.180 0.000 1.110 500 M CB -0.606 31.930 32.600 -0.108 0.000 1.374 500 M HN 0.545 nan 8.290 nan 0.000 0.411 501 A N -1.018 121.584 122.820 -0.362 0.000 2.121 501 A HA -0.132 4.189 4.320 0.001 0.000 0.218 501 A C 1.498 178.826 177.584 -0.426 0.000 1.154 501 A CA 1.136 52.889 52.037 -0.473 0.000 0.679 501 A CB -0.830 17.991 19.000 -0.299 0.000 0.795 501 A HN 0.516 nan 8.150 nan 0.000 0.458 502 H N -1.304 117.689 119.070 -0.129 0.000 2.529 502 H HA 0.164 4.721 4.556 0.001 0.000 0.277 502 H C 0.318 175.567 175.328 -0.132 0.000 1.004 502 H CA -0.055 55.937 56.048 -0.094 0.000 1.167 502 H CB 0.104 29.843 29.762 -0.037 0.000 1.445 502 H HN 0.361 nan 8.280 nan 0.000 0.554 503 R N 2.565 122.976 120.500 -0.148 0.000 2.202 503 R HA 0.197 4.537 4.340 0.001 0.000 0.334 503 R C -2.596 173.568 176.300 -0.226 0.000 1.036 503 R CA -1.648 54.331 56.100 -0.201 0.000 0.878 503 R CB 0.587 30.684 30.300 -0.337 0.000 1.067 503 R HN -0.031 nan 8.270 nan 0.000 0.457 504 P HA 0.010 nan 4.420 nan 0.000 0.265 504 P C -0.207 176.995 177.300 -0.163 0.000 1.193 504 P CA 0.676 63.697 63.100 -0.132 0.000 0.765 504 P CB 1.180 32.831 31.700 -0.082 0.000 0.823 505 A N 2.407 125.133 122.820 -0.157 0.000 3.907 505 A HA -0.158 4.163 4.320 0.001 0.000 0.257 505 A C 1.001 178.460 177.584 -0.208 0.000 0.945 505 A CA 0.709 52.660 52.037 -0.143 0.000 1.394 505 A CB -2.556 16.386 19.000 -0.098 0.000 1.011 505 A HN 0.823 nan 8.150 nan 0.000 0.829 506 A N 0.528 123.123 122.820 -0.376 0.000 2.566 506 A HA 0.404 4.724 4.320 0.001 0.000 0.245 506 A C 0.452 177.815 177.584 -0.368 0.000 1.056 506 A CA 1.089 52.731 52.037 -0.658 0.000 0.757 506 A CB -0.196 18.072 19.000 -1.221 0.000 0.979 506 A HN 0.525 nan 8.150 nan 0.000 0.508 507 K N 3.567 123.898 120.400 -0.114 0.000 2.231 507 K HA 0.310 4.631 4.320 0.001 0.000 0.275 507 K C -0.874 175.774 176.600 0.080 0.000 1.105 507 K CA 0.058 56.344 56.287 -0.001 0.000 0.931 507 K CB 0.460 32.997 32.500 0.063 0.000 1.296 507 K HN 0.633 nan 8.250 nan 0.000 0.446 508 L N 5.670 126.844 121.223 -0.082 0.000 2.418 508 L HA 0.162 4.502 4.340 0.001 0.000 0.274 508 L C -1.572 175.362 176.870 0.107 0.000 1.135 508 L CA -1.822 52.947 54.840 -0.119 0.000 0.870 508 L CB -0.209 41.602 42.059 -0.414 0.000 1.154 508 L HN 0.348 nan 8.230 nan 0.000 0.462 509 P HA 0.066 nan 4.420 nan 0.000 0.272 509 P C -0.673 176.783 177.300 0.260 0.000 1.230 509 P CA -0.543 62.697 63.100 0.234 0.000 0.788 509 P CB 0.822 32.676 31.700 0.256 0.000 0.949 510 K N 1.495 121.968 120.400 0.122 0.000 2.355 510 K HA 0.258 4.579 4.320 0.001 0.000 0.270 510 K C -0.268 176.242 176.600 -0.150 0.000 1.003 510 K CA -0.106 56.145 56.287 -0.060 0.000 0.957 510 K CB 0.004 32.386 32.500 -0.195 0.000 0.939 510 K HN 0.393 nan 8.250 nan 0.000 0.482 511 I N 4.743 125.141 120.570 -0.287 0.000 2.406 511 I HA 0.311 4.482 4.170 0.001 0.000 0.290 511 I C -0.903 174.964 176.117 -0.416 0.000 0.999 511 I CA -0.723 60.450 61.300 -0.212 0.000 1.124 511 I CB 0.974 38.970 38.000 -0.007 0.000 1.289 511 I HN 0.472 nan 8.210 nan 0.000 0.441 512 F N 3.985 123.958 119.950 0.038 0.000 2.579 512 F HA 0.516 5.043 4.527 0.001 0.000 0.324 512 F C 0.093 175.869 175.800 -0.041 0.000 1.058 512 F CA -0.706 57.316 58.000 0.037 0.000 0.944 512 F CB 1.539 40.589 39.000 0.084 0.000 1.245 512 F HN 0.377 nan 8.300 nan 0.000 0.477 513 H N 1.355 120.333 119.070 -0.154 0.000 2.600 513 H HA 0.694 5.250 4.556 0.001 0.000 0.357 513 H C -1.631 173.508 175.328 -0.315 0.000 1.106 513 H CA -0.667 55.191 56.048 -0.317 0.000 1.193 513 H CB 2.031 31.369 29.762 -0.707 0.000 1.594 513 H HN 0.578 nan 8.280 nan 0.000 0.526 514 V N 2.514 122.066 119.914 -0.603 0.000 2.864 514 V HA 0.516 4.637 4.120 0.001 0.000 0.314 514 V C -0.561 175.069 176.094 -0.774 0.000 1.073 514 V CA -1.040 60.840 62.300 -0.699 0.000 0.956 514 V CB 1.997 33.150 31.823 -1.118 0.000 1.023 514 V HN 0.889 nan 8.190 nan 0.000 0.435 515 N N 2.007 120.322 118.700 -0.641 0.000 2.607 515 N HA 0.343 5.083 4.740 0.001 0.000 0.271 515 N C -0.376 174.918 175.510 -0.361 0.000 1.142 515 N CA -0.590 52.222 53.050 -0.396 0.000 0.810 515 N CB 1.239 39.670 38.487 -0.093 0.000 1.306 515 N HN 0.926 nan 8.380 nan 0.000 0.536 516 W N 2.176 123.257 121.300 -0.366 0.000 2.937 516 W HA 0.145 4.806 4.660 0.001 0.000 0.245 516 W C 0.214 176.335 176.519 -0.665 0.000 1.306 516 W CA -0.372 56.575 57.345 -0.663 0.000 1.470 516 W CB 0.163 28.966 29.460 -1.095 0.000 1.132 516 W HN 0.472 nan 8.180 nan 0.000 0.675 517 F N 0.101 120.126 119.950 0.124 0.000 2.668 517 F HA 0.292 4.820 4.527 0.001 0.000 0.301 517 F C 1.191 177.165 175.800 0.289 0.000 1.106 517 F CA -0.778 57.383 58.000 0.267 0.000 1.289 517 F CB -0.329 38.794 39.000 0.204 0.000 1.006 517 F HN -0.380 nan 8.300 nan 0.000 0.535 518 R N 2.215 122.861 120.500 0.244 0.000 2.489 518 R HA 0.217 4.557 4.340 0.001 0.000 0.287 518 R C -0.329 176.038 176.300 0.112 0.000 1.053 518 R CA 0.245 56.407 56.100 0.103 0.000 1.036 518 R CB 0.519 30.805 30.300 -0.023 0.000 0.966 518 R HN 0.155 nan 8.270 nan 0.000 0.432 519 K N 2.408 122.801 120.400 -0.011 0.000 2.208 519 K HA 0.162 4.483 4.320 0.001 0.000 0.247 519 K C -0.576 175.977 176.600 -0.078 0.000 0.953 519 K CA -1.003 55.223 56.287 -0.101 0.000 0.837 519 K CB 1.358 33.714 32.500 -0.240 0.000 1.131 519 K HN 0.645 nan 8.250 nan 0.000 0.431 520 D N 0.772 121.131 120.400 -0.068 0.000 2.398 520 D HA 0.041 4.681 4.640 0.001 0.000 0.264 520 D C 0.764 177.028 176.300 -0.060 0.000 1.263 520 D CA -0.208 53.762 54.000 -0.051 0.000 1.037 520 D CB 0.540 41.324 40.800 -0.028 0.000 1.101 520 D HN 0.148 nan 8.370 nan 0.000 0.551 521 K N -0.557 119.817 120.400 -0.043 0.000 2.113 521 K HA -0.102 4.219 4.320 0.001 0.000 0.208 521 K C 1.197 177.770 176.600 -0.045 0.000 1.047 521 K CA 1.049 57.313 56.287 -0.040 0.000 0.928 521 K CB -0.453 32.031 32.500 -0.026 0.000 0.716 521 K HN 0.456 nan 8.250 nan 0.000 0.446 522 N N -0.065 118.608 118.700 -0.046 0.000 2.461 522 N HA -0.021 4.720 4.740 0.001 0.000 0.188 522 N C 0.875 176.342 175.510 -0.072 0.000 1.134 522 N CA 0.914 53.936 53.050 -0.047 0.000 0.878 522 N CB 0.574 39.040 38.487 -0.034 0.000 0.972 522 N HN 0.371 nan 8.380 nan 0.000 0.456 523 G N 1.266 110.005 108.800 -0.101 0.000 2.147 523 G HA2 -0.307 3.654 3.960 0.001 0.000 0.244 523 G HA3 -0.307 3.654 3.960 0.001 0.000 0.244 523 G C 0.032 174.791 174.900 -0.236 0.000 1.005 523 G CA 0.144 45.145 45.100 -0.164 0.000 0.713 523 G HN 0.441 nan 8.290 nan 0.000 0.515 524 K N 0.166 120.467 120.400 -0.165 0.000 2.201 524 K HA 0.585 4.906 4.320 0.001 0.000 0.278 524 K C 0.257 176.784 176.600 -0.122 0.000 1.027 524 K CA -0.961 55.246 56.287 -0.132 0.000 0.909 524 K CB 0.297 32.775 32.500 -0.036 0.000 1.062 524 K HN -0.013 nan 8.250 nan 0.000 0.465 525 F N 4.037 123.994 119.950 0.012 0.000 2.607 525 F HA -0.051 4.477 4.527 0.001 0.000 0.374 525 F C 1.387 177.192 175.800 0.009 0.000 1.104 525 F CA 0.018 58.026 58.000 0.013 0.000 1.296 525 F CB 0.433 39.432 39.000 -0.001 0.000 1.085 525 F HN 0.492 nan 8.300 nan 0.000 0.584 526 L N 3.025 124.385 121.223 0.228 0.000 2.446 526 L HA -0.006 4.335 4.340 0.001 0.000 0.219 526 L C 0.208 177.213 176.870 0.225 0.000 1.116 526 L CA 0.393 55.329 54.840 0.159 0.000 0.844 526 L CB 0.074 42.191 42.059 0.096 0.000 0.970 526 L HN 0.575 nan 8.230 nan 0.000 0.457 527 W N 1.873 123.159 121.300 -0.024 0.000 2.739 527 W HA 0.274 4.935 4.660 0.001 0.000 0.331 527 W C -1.949 174.451 176.519 -0.199 0.000 1.049 527 W CA -1.663 55.614 57.345 -0.114 0.000 1.234 527 W CB 2.098 31.475 29.460 -0.138 0.000 1.404 527 W HN -0.177 nan 8.180 nan 0.000 0.477 528 P HA -0.002 nan 4.420 nan 0.000 0.223 528 P C 1.033 177.874 177.300 -0.764 0.000 1.151 528 P CA 1.717 64.435 63.100 -0.638 0.000 0.787 528 P CB 0.516 31.842 31.700 -0.623 0.000 0.788 529 G N -0.121 108.044 108.800 -1.058 0.000 2.578 529 G HA2 -0.282 3.679 3.960 0.001 0.000 0.275 529 G HA3 -0.282 3.679 3.960 0.001 0.000 0.275 529 G C 0.096 174.567 174.900 -0.716 0.000 1.271 529 G CA -0.015 44.552 45.100 -0.888 0.000 0.941 529 G HN 0.159 nan 8.290 nan 0.000 0.564 530 F N -1.875 117.781 119.950 -0.490 0.000 2.697 530 F HA -0.278 4.250 4.527 0.001 0.000 0.250 530 F C 2.662 178.257 175.800 -0.342 0.000 1.066 530 F CA 2.572 60.355 58.000 -0.362 0.000 1.366 530 F CB -1.741 37.100 39.000 -0.266 0.000 2.184 530 F HN 1.678 nan 8.300 nan 0.000 0.407 531 G N -0.209 108.581 108.800 -0.017 0.000 2.516 531 G HA2 -0.178 3.782 3.960 0.001 0.000 0.221 531 G HA3 -0.178 3.782 3.960 0.001 0.000 0.221 531 G C 1.165 175.967 174.900 -0.163 0.000 1.107 531 G CA 1.207 46.250 45.100 -0.095 0.000 0.747 531 G HN 0.558 nan 8.290 nan 0.000 0.567 532 E N 1.026 121.080 120.200 -0.244 0.000 2.358 532 E HA -0.042 4.309 4.350 0.001 0.000 0.195 532 E C 1.900 178.397 176.600 -0.171 0.000 1.010 532 E CA 0.119 56.333 56.400 -0.309 0.000 0.856 532 E CB -0.228 29.119 29.700 -0.589 0.000 0.795 532 E HN 0.333 nan 8.360 nan 0.000 0.504 533 N N 1.208 119.758 118.700 -0.250 0.000 2.443 533 N HA -0.120 4.621 4.740 0.001 0.000 0.184 533 N C 1.733 177.154 175.510 -0.148 0.000 1.037 533 N CA 1.089 53.957 53.050 -0.303 0.000 0.896 533 N CB -0.305 37.592 38.487 -0.983 0.000 0.959 533 N HN 0.185 nan 8.380 nan 0.000 0.442 534 S N 0.741 116.349 115.700 -0.153 0.000 2.419 534 S HA -0.095 4.376 4.470 0.001 0.000 0.235 534 S C 1.814 176.246 174.600 -0.280 0.000 1.019 534 S CA 0.594 58.671 58.200 -0.206 0.000 0.982 534 S CB -0.178 62.894 63.200 -0.214 0.000 0.789 534 S HN 0.301 nan 8.310 nan 0.000 0.490 535 R N 0.489 120.921 120.500 -0.113 0.000 2.092 535 R HA 0.085 4.426 4.340 0.001 0.000 0.231 535 R C 2.226 178.535 176.300 0.015 0.000 1.119 535 R CA 1.262 57.337 56.100 -0.043 0.000 0.970 535 R CB -0.611 29.788 30.300 0.165 0.000 0.864 535 R HN 0.350 nan 8.270 nan 0.000 0.440 536 V N 1.405 121.366 119.914 0.078 0.000 2.379 536 V HA -0.160 3.961 4.120 0.001 0.000 0.245 536 V C 2.236 178.385 176.094 0.093 0.000 1.044 536 V CA 1.418 63.784 62.300 0.110 0.000 1.036 536 V CB -0.353 31.585 31.823 0.192 0.000 0.664 536 V HN 0.278 nan 8.190 nan 0.000 0.453 537 L N 0.087 121.315 121.223 0.007 0.000 2.079 537 L HA -0.231 4.109 4.340 0.001 0.000 0.210 537 L C 2.563 179.375 176.870 -0.097 0.000 1.081 537 L CA 2.132 56.952 54.840 -0.033 0.000 0.752 537 L CB -0.661 41.377 42.059 -0.036 0.000 0.896 537 L HN 0.488 nan 8.230 nan 0.000 0.433 538 E N -0.018 119.982 120.200 -0.334 0.000 2.058 538 E HA -0.301 4.049 4.350 0.001 0.000 0.194 538 E C 2.135 178.773 176.600 0.063 0.000 0.997 538 E CA 1.786 57.942 56.400 -0.407 0.000 0.801 538 E CB -0.306 29.025 29.700 -0.615 0.000 0.746 538 E HN 0.454 nan 8.360 nan 0.000 0.450 539 W N 1.005 122.262 121.300 -0.072 0.000 2.355 539 W HA -0.183 4.478 4.660 0.001 0.000 0.309 539 W C 2.117 178.639 176.519 0.005 0.000 1.206 539 W CA 2.070 59.413 57.345 -0.002 0.000 1.284 539 W CB -0.234 29.217 29.460 -0.015 0.000 1.145 539 W HN 0.090 nan 8.180 nan 0.000 0.502 540 M N -0.933 118.604 119.600 -0.105 0.000 2.108 540 M HA -0.209 4.272 4.480 0.001 0.000 0.261 540 M C 2.169 178.379 176.300 -0.150 0.000 1.066 540 M CA 1.951 56.931 55.300 -0.533 0.000 1.107 540 M CB -1.114 31.004 32.600 -0.803 0.000 1.356 540 M HN 0.050 nan 8.290 nan 0.000 0.406 541 F N 1.011 120.906 119.950 -0.093 0.000 2.095 541 F HA -0.104 4.424 4.527 0.001 0.000 0.298 541 F C 2.283 178.097 175.800 0.024 0.000 1.104 541 F CA 1.849 59.880 58.000 0.052 0.000 1.232 541 F CB -0.893 38.246 39.000 0.231 0.000 0.987 541 F HN 0.087 nan 8.300 nan 0.000 0.475 542 G N 0.248 109.229 108.800 0.302 0.000 2.418 542 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 542 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 542 G C 1.878 176.748 174.900 -0.049 0.000 1.158 542 G CA 0.538 45.721 45.100 0.140 0.000 0.771 542 G HN 0.160 nan 8.290 nan 0.000 0.545 543 R N 0.258 120.621 120.500 -0.228 0.000 2.081 543 R HA 0.050 4.391 4.340 0.001 0.000 0.235 543 R C 2.631 178.885 176.300 -0.078 0.000 1.131 543 R CA 0.770 56.719 56.100 -0.251 0.000 0.960 543 R CB -0.902 29.126 30.300 -0.453 0.000 0.856 543 R HN 0.465 nan 8.270 nan 0.000 0.436 544 I N 1.330 121.897 120.570 -0.005 0.000 2.335 544 I HA -0.234 3.937 4.170 0.001 0.000 0.251 544 I C 1.987 178.068 176.117 -0.060 0.000 1.129 544 I CA 1.257 62.545 61.300 -0.019 0.000 1.402 544 I CB -0.208 37.762 38.000 -0.051 0.000 1.069 544 I HN 0.083 nan 8.210 nan 0.000 0.424 545 E N 0.549 120.716 120.200 -0.055 0.000 2.358 545 E HA -0.031 4.320 4.350 0.001 0.000 0.195 545 E C 1.616 178.207 176.600 -0.015 0.000 1.010 545 E CA 0.933 57.321 56.400 -0.021 0.000 0.856 545 E CB 0.041 29.773 29.700 0.052 0.000 0.795 545 E HN 0.578 nan 8.360 nan 0.000 0.504 546 G N 2.010 110.789 108.800 -0.035 0.000 2.131 546 G HA2 -0.235 3.725 3.960 0.001 0.000 0.201 546 G HA3 -0.235 3.725 3.960 0.001 0.000 0.201 546 G C -0.235 174.642 174.900 -0.039 0.000 1.000 546 G CA -0.090 44.984 45.100 -0.043 0.000 0.680 546 G HN 0.243 nan 8.290 nan 0.000 0.514 547 E N 0.408 120.586 120.200 -0.037 0.000 2.384 547 E HA 0.226 4.576 4.350 0.001 0.000 0.266 547 E C -0.202 176.379 176.600 -0.032 0.000 1.012 547 E CA -0.378 56.012 56.400 -0.016 0.000 0.901 547 E CB 0.726 30.432 29.700 0.009 0.000 0.967 547 E HN 0.121 nan 8.360 nan 0.000 0.435 548 D N 2.012 122.411 120.400 -0.002 0.000 2.745 548 D HA -0.020 4.620 4.640 0.001 0.000 0.229 548 D C 0.174 176.504 176.300 0.050 0.000 1.088 548 D CA 0.137 54.142 54.000 0.007 0.000 1.054 548 D CB -0.367 40.443 40.800 0.017 0.000 1.132 548 D HN 0.316 nan 8.370 nan 0.000 0.464 549 S N -0.468 115.274 115.700 0.070 0.000 2.650 549 S HA 0.535 5.006 4.470 0.001 0.000 0.240 549 S C 0.444 175.276 174.600 0.388 0.000 1.007 549 S CA -0.606 57.718 58.200 0.207 0.000 0.984 549 S CB 0.700 64.036 63.200 0.226 0.000 0.910 549 S HN 0.252 nan 8.310 nan 0.000 0.509 550 A N 1.551 124.523 122.820 0.254 0.000 2.355 550 A HA 0.778 5.098 4.320 0.001 0.000 0.324 550 A C -0.536 177.208 177.584 0.268 0.000 1.117 550 A CA -0.822 51.431 52.037 0.360 0.000 0.785 550 A CB 1.468 20.620 19.000 0.254 0.000 1.254 550 A HN 0.391 nan 8.150 nan 0.000 0.453 551 K N 2.154 122.735 120.400 0.301 0.000 2.292 551 K HA 0.556 4.876 4.320 0.001 0.000 0.257 551 K C -1.284 175.494 176.600 0.297 0.000 0.940 551 K CA -0.684 55.738 56.287 0.226 0.000 0.811 551 K CB 1.284 33.838 32.500 0.090 0.000 1.120 551 K HN 0.599 nan 8.250 nan 0.000 0.428 552 L N 4.020 125.387 121.223 0.239 0.000 2.380 552 L HA 0.303 4.644 4.340 0.001 0.000 0.273 552 L C -0.345 176.480 176.870 -0.076 0.000 1.138 552 L CA 0.893 55.733 54.840 -0.001 0.000 0.832 552 L CB 1.012 43.052 42.059 -0.031 0.000 1.124 552 L HN 0.909 nan 8.230 nan 0.000 0.454 553 T N 1.330 115.782 114.554 -0.171 0.000 2.864 553 T HA 0.591 4.942 4.350 0.001 0.000 0.289 553 T C -2.159 172.387 174.700 -0.257 0.000 1.082 553 T CA -1.492 60.502 62.100 -0.175 0.000 1.009 553 T CB 1.482 70.255 68.868 -0.158 0.000 1.234 553 T HN 0.394 nan 8.240 nan 0.000 0.526 554 P HA 0.053 nan 4.420 nan 0.000 0.219 554 P C 1.395 178.452 177.300 -0.404 0.000 1.146 554 P CA 0.821 63.738 63.100 -0.306 0.000 0.808 554 P CB -0.254 31.279 31.700 -0.278 0.000 0.779 555 I N -6.102 114.157 120.570 -0.518 0.000 3.883 555 I HA 0.468 4.638 4.170 0.001 0.000 0.326 555 I C 0.793 176.720 176.117 -0.317 0.000 1.283 555 I CA 0.075 61.003 61.300 -0.620 0.000 1.161 555 I CB 0.053 37.316 38.000 -1.228 0.000 1.012 555 I HN -0.050 nan 8.210 nan 0.000 0.421 556 G N 0.460 109.115 108.800 -0.240 0.000 2.334 556 G HA2 0.000 3.961 3.960 0.001 0.000 0.315 556 G HA3 0.000 3.961 3.960 0.001 0.000 0.315 556 G C -1.478 173.373 174.900 -0.081 0.000 1.284 556 G CA -0.942 44.128 45.100 -0.050 0.000 0.985 556 G HN 0.156 nan 8.290 nan 0.000 0.504 557 Y N 0.073 120.533 120.300 0.267 0.000 2.319 557 Y HA 0.464 5.015 4.550 0.001 0.000 0.328 557 Y C 1.300 177.428 175.900 0.381 0.000 1.133 557 Y CA 0.253 58.530 58.100 0.296 0.000 1.265 557 Y CB 1.451 40.119 38.460 0.345 0.000 1.218 557 Y HN 0.698 nan 8.280 nan 0.000 0.508 558 V N 1.077 121.210 119.914 0.365 0.000 3.019 558 V HA 0.705 4.826 4.120 0.001 0.000 0.317 558 V C -2.912 173.095 176.094 -0.146 0.000 1.094 558 V CA -3.550 58.788 62.300 0.063 0.000 1.000 558 V CB 1.821 33.626 31.823 -0.031 0.000 1.060 558 V HN 0.442 nan 8.190 nan 0.000 0.443 559 P HA 0.212 nan 4.420 nan 0.000 0.268 559 P C -0.526 176.549 177.300 -0.375 0.000 1.205 559 P CA -0.008 62.632 63.100 -0.767 0.000 0.771 559 P CB 0.251 31.140 31.700 -1.353 0.000 0.858 560 K N 1.517 121.874 120.400 -0.071 0.000 2.286 560 K HA -0.010 4.311 4.320 0.001 0.000 0.256 560 K C 0.706 177.225 176.600 -0.135 0.000 0.999 560 K CA -0.151 56.102 56.287 -0.057 0.000 0.908 560 K CB 0.226 32.753 32.500 0.044 0.000 0.981 560 K HN 0.525 nan 8.250 nan 0.000 0.500 561 E N 1.958 122.103 120.200 -0.092 0.000 2.529 561 E HA -0.223 4.127 4.350 0.001 0.000 0.259 561 E C -0.696 175.885 176.600 -0.030 0.000 0.966 561 E CA 0.233 56.593 56.400 -0.067 0.000 0.937 561 E CB 0.197 29.879 29.700 -0.031 0.000 0.923 561 E HN 0.550 nan 8.360 nan 0.000 0.468 562 D N 1.795 122.181 120.400 -0.025 0.000 2.946 562 D HA -0.272 4.368 4.640 0.001 0.000 0.202 562 D C 0.812 177.127 176.300 0.024 0.000 1.068 562 D CA 1.315 55.320 54.000 0.008 0.000 1.011 562 D CB -1.414 39.399 40.800 0.021 0.000 1.105 562 D HN 0.544 nan 8.370 nan 0.000 0.425 563 A N -0.377 122.448 122.820 0.010 0.000 1.968 563 A HA 0.102 4.422 4.320 0.001 0.000 0.217 563 A C 1.104 178.744 177.584 0.093 0.000 1.169 563 A CA 0.560 52.645 52.037 0.080 0.000 0.638 563 A CB 0.103 19.178 19.000 0.125 0.000 0.812 563 A HN 0.188 nan 8.150 nan 0.000 0.446 564 L N 1.188 122.411 121.223 0.001 0.000 2.281 564 L HA 0.221 4.562 4.340 0.001 0.000 0.285 564 L C 0.189 177.103 176.870 0.073 0.000 1.074 564 L CA -0.381 54.478 54.840 0.032 0.000 0.817 564 L CB 0.474 42.524 42.059 -0.014 0.000 1.168 564 L HN 0.276 nan 8.230 nan 0.000 0.434 565 N N 5.019 123.769 118.700 0.083 0.000 2.416 565 N HA 0.020 4.760 4.740 0.001 0.000 0.271 565 N C -0.008 175.549 175.510 0.079 0.000 1.245 565 N CA 0.371 53.462 53.050 0.069 0.000 0.940 565 N CB 0.332 38.849 38.487 0.049 0.000 1.175 565 N HN 0.614 nan 8.380 nan 0.000 0.483 566 L N 2.905 124.173 121.223 0.075 0.000 2.965 566 L HA 0.230 4.570 4.340 0.001 0.000 0.254 566 L C 0.456 177.343 176.870 0.028 0.000 1.220 566 L CA -0.253 54.631 54.840 0.073 0.000 1.023 566 L CB 0.075 42.198 42.059 0.106 0.000 1.355 566 L HN 0.216 nan 8.230 nan 0.000 0.545 567 K N 0.788 121.201 120.400 0.022 0.000 2.447 567 K HA 0.331 4.652 4.320 0.001 0.000 0.281 567 K C 1.159 177.751 176.600 -0.013 0.000 1.031 567 K CA 0.766 57.059 56.287 0.009 0.000 1.019 567 K CB 0.615 33.125 32.500 0.017 0.000 0.918 567 K HN 0.256 nan 8.250 nan 0.000 0.476 568 G N 2.186 110.975 108.800 -0.019 0.000 2.254 568 G HA2 -0.249 3.711 3.960 0.001 0.000 0.225 568 G HA3 -0.249 3.711 3.960 0.001 0.000 0.225 568 G C -0.063 174.805 174.900 -0.052 0.000 1.003 568 G CA 0.072 45.150 45.100 -0.036 0.000 0.622 568 G HN 0.525 nan 8.290 nan 0.000 0.507 569 L N -2.136 119.056 121.223 -0.052 0.000 2.470 569 L HA 0.790 5.130 4.340 0.001 0.000 0.256 569 L C 0.955 177.813 176.870 -0.021 0.000 1.357 569 L CA -0.053 54.751 54.840 -0.061 0.000 0.902 569 L CB 0.802 42.784 42.059 -0.128 0.000 1.121 569 L HN 0.208 nan 8.230 nan 0.000 0.507 570 G N -0.540 108.256 108.800 -0.007 0.000 3.210 570 G HA2 0.021 3.982 3.960 0.001 0.000 0.220 570 G HA3 0.021 3.982 3.960 0.001 0.000 0.220 570 G C 0.459 175.368 174.900 0.014 0.000 1.200 570 G CA 0.169 45.276 45.100 0.012 0.000 0.834 570 G HN 0.631 nan 8.290 nan 0.000 0.524 571 D N -0.289 120.114 120.400 0.004 0.000 2.366 571 D HA 0.009 4.649 4.640 0.001 0.000 0.205 571 D C 1.109 177.422 176.300 0.022 0.000 1.022 571 D CA -0.091 53.912 54.000 0.004 0.000 0.868 571 D CB 0.686 41.477 40.800 -0.015 0.000 0.953 571 D HN 0.165 nan 8.370 nan 0.000 0.514 572 V N 2.051 121.989 119.914 0.040 0.000 2.530 572 V HA 0.105 4.225 4.120 0.001 0.000 0.282 572 V C -0.161 175.994 176.094 0.102 0.000 1.048 572 V CA -0.511 61.841 62.300 0.086 0.000 0.997 572 V CB 1.205 33.117 31.823 0.149 0.000 0.987 572 V HN -0.067 nan 8.190 nan 0.000 0.477 573 N N 5.147 123.904 118.700 0.096 0.000 2.521 573 N HA 0.124 4.865 4.740 0.001 0.000 0.236 573 N C 0.746 176.322 175.510 0.110 0.000 1.067 573 N CA 0.252 53.352 53.050 0.084 0.000 0.939 573 N CB 1.332 39.852 38.487 0.056 0.000 1.201 573 N HN 0.618 nan 8.380 nan 0.000 0.511 574 V N 1.102 121.102 119.914 0.144 0.000 2.548 574 V HA -0.019 4.102 4.120 0.001 0.000 0.249 574 V C 1.952 178.183 176.094 0.228 0.000 1.055 574 V CA 1.044 63.486 62.300 0.237 0.000 1.065 574 V CB -0.420 31.537 31.823 0.224 0.000 0.681 574 V HN 0.484 nan 8.190 nan 0.000 0.462 575 E N 0.854 121.131 120.200 0.128 0.000 2.077 575 E HA -0.274 4.077 4.350 0.001 0.000 0.193 575 E C 2.254 178.902 176.600 0.081 0.000 0.989 575 E CA 2.057 58.516 56.400 0.098 0.000 0.800 575 E CB 0.004 29.740 29.700 0.060 0.000 0.746 575 E HN 0.844 nan 8.360 nan 0.000 0.452 576 E N 0.002 120.234 120.200 0.054 0.000 2.112 576 E HA -0.058 4.293 4.350 0.001 0.000 0.190 576 E C 2.442 179.024 176.600 -0.030 0.000 0.979 576 E CA 0.148 56.556 56.400 0.013 0.000 0.814 576 E CB 0.067 29.771 29.700 0.008 0.000 0.762 576 E HN 0.191 nan 8.360 nan 0.000 0.460 577 L N -0.293 120.900 121.223 -0.051 0.000 2.046 577 L HA -0.161 4.179 4.340 0.001 0.000 0.208 577 L C 1.366 177.970 176.870 -0.444 0.000 1.077 577 L CA 1.187 55.870 54.840 -0.262 0.000 0.747 577 L CB -0.047 41.804 42.059 -0.347 0.000 0.896 577 L HN 0.205 nan 8.230 nan 0.000 0.432 578 F N -0.747 119.177 119.950 -0.045 0.000 2.653 578 F HA 0.253 4.780 4.527 0.001 0.000 0.304 578 F C 1.536 177.322 175.800 -0.024 0.000 1.092 578 F CA -0.503 57.469 58.000 -0.047 0.000 1.279 578 F CB -0.356 38.599 39.000 -0.074 0.000 1.044 578 F HN -0.114 nan 8.300 nan 0.000 0.564 579 G N 1.773 110.629 108.800 0.093 0.000 2.321 579 G HA2 0.274 4.234 3.960 0.001 0.000 0.237 579 G HA3 0.274 4.234 3.960 0.001 0.000 0.237 579 G C -0.384 174.561 174.900 0.075 0.000 1.282 579 G CA -0.029 45.109 45.100 0.064 0.000 0.886 579 G HN 0.260 nan 8.290 nan 0.000 0.528 580 I N 1.593 122.217 120.570 0.089 0.000 2.439 580 I HA 0.206 4.377 4.170 0.001 0.000 0.283 580 I C 0.148 176.370 176.117 0.174 0.000 1.023 580 I CA -0.476 60.910 61.300 0.144 0.000 1.100 580 I CB 2.020 40.021 38.000 0.001 0.000 1.238 580 I HN 0.474 nan 8.210 nan 0.000 0.445 581 S N 5.844 121.721 115.700 0.295 0.000 2.429 581 S HA 0.242 4.713 4.470 0.001 0.000 0.302 581 S C 1.078 175.882 174.600 0.340 0.000 1.115 581 S CA -0.576 57.773 58.200 0.248 0.000 1.095 581 S CB 1.220 64.534 63.200 0.190 0.000 0.987 581 S HN 0.749 nan 8.310 nan 0.000 0.474 582 K N 3.370 123.894 120.400 0.206 0.000 2.044 582 K HA -0.199 4.122 4.320 0.001 0.000 0.210 582 K C 1.257 177.969 176.600 0.185 0.000 1.049 582 K CA 2.219 58.614 56.287 0.180 0.000 0.927 582 K CB -0.165 32.393 32.500 0.096 0.000 0.713 582 K HN 0.685 nan 8.250 nan 0.000 0.443 583 E N 0.047 120.336 120.200 0.148 0.000 2.058 583 E HA -0.184 4.166 4.350 0.001 0.000 0.194 583 E C 1.642 178.300 176.600 0.096 0.000 0.997 583 E CA 1.515 57.977 56.400 0.102 0.000 0.801 583 E CB -0.380 29.370 29.700 0.083 0.000 0.746 583 E HN 0.401 nan 8.360 nan 0.000 0.450 584 F N -1.069 118.880 119.950 -0.002 0.000 2.146 584 F HA -0.126 4.402 4.527 0.001 0.000 0.298 584 F C 1.536 177.212 175.800 -0.207 0.000 1.096 584 F CA 1.306 59.227 58.000 -0.131 0.000 1.275 584 F CB -0.148 38.736 39.000 -0.194 0.000 1.008 584 F HN 0.024 nan 8.300 nan 0.000 0.480 585 W N 1.059 122.425 121.300 0.110 0.000 2.518 585 W HA 0.020 4.681 4.660 0.002 0.000 0.273 585 W C 2.295 178.776 176.519 -0.063 0.000 1.247 585 W CA 0.956 58.313 57.345 0.020 0.000 1.288 585 W CB -0.309 29.209 29.460 0.097 0.000 1.107 585 W HN 0.026 nan 8.180 nan 0.000 0.586 586 E N 0.428 120.703 120.200 0.124 0.000 2.051 586 E HA -0.265 4.085 4.350 0.001 0.000 0.192 586 E C 1.985 178.558 176.600 -0.044 0.000 0.991 586 E CA 1.308 57.736 56.400 0.047 0.000 0.799 586 E CB -0.170 29.550 29.700 0.034 0.000 0.748 586 E HN -0.060 nan 8.360 nan 0.000 0.449 587 K N 1.507 121.818 120.400 -0.148 0.000 2.057 587 K HA -0.213 4.107 4.320 0.001 0.000 0.207 587 K C 1.899 178.326 176.600 -0.289 0.000 1.049 587 K CA 1.601 57.751 56.287 -0.227 0.000 0.931 587 K CB -0.144 32.170 32.500 -0.310 0.000 0.714 587 K HN -0.072 nan 8.250 nan 0.000 0.440 588 E N -0.198 119.731 120.200 -0.451 0.000 2.051 588 E HA -0.100 4.251 4.350 0.001 0.000 0.192 588 E C 1.852 178.393 176.600 -0.098 0.000 0.991 588 E CA 1.387 57.528 56.400 -0.431 0.000 0.799 588 E CB -0.310 28.950 29.700 -0.735 0.000 0.748 588 E HN 0.101 nan 8.360 nan 0.000 0.449 589 V N 0.707 120.645 119.914 0.040 0.000 2.392 589 V HA -0.243 3.878 4.120 0.001 0.000 0.249 589 V C 2.355 178.498 176.094 0.081 0.000 1.059 589 V CA 2.138 64.518 62.300 0.133 0.000 1.051 589 V CB -0.556 31.351 31.823 0.140 0.000 0.658 589 V HN 0.318 nan 8.190 nan 0.000 0.455 590 E N 0.217 120.431 120.200 0.023 0.000 2.072 590 E HA -0.201 4.149 4.350 0.001 0.000 0.191 590 E C 2.173 178.791 176.600 0.030 0.000 0.985 590 E CA 1.348 57.758 56.400 0.016 0.000 0.801 590 E CB -0.196 29.496 29.700 -0.013 0.000 0.750 590 E HN 0.512 nan 8.360 nan 0.000 0.452 591 E N 0.222 120.427 120.200 0.009 0.000 2.072 591 E HA -0.131 4.219 4.350 0.001 0.000 0.191 591 E C 2.321 179.014 176.600 0.154 0.000 0.985 591 E CA 0.990 57.426 56.400 0.060 0.000 0.801 591 E CB -0.301 29.401 29.700 0.003 0.000 0.750 591 E HN 0.435 nan 8.360 nan 0.000 0.452 592 I N 1.553 122.213 120.570 0.151 0.000 2.179 592 I HA -0.271 3.900 4.170 0.001 0.000 0.242 592 I C 2.399 178.631 176.117 0.191 0.000 1.088 592 I CA 1.327 62.753 61.300 0.210 0.000 1.357 592 I CB -0.287 37.832 38.000 0.198 0.000 1.051 592 I HN 0.030 nan 8.210 nan 0.000 0.409 593 D N 1.518 122.006 120.400 0.146 0.000 2.092 593 D HA -0.218 4.422 4.640 0.001 0.000 0.193 593 D C 2.110 178.451 176.300 0.069 0.000 0.994 593 D CA 1.696 55.758 54.000 0.102 0.000 0.828 593 D CB -0.018 40.824 40.800 0.070 0.000 0.963 593 D HN 0.228 nan 8.370 nan 0.000 0.450 594 K N -0.981 119.458 120.400 0.065 0.000 2.063 594 K HA -0.200 4.121 4.320 0.001 0.000 0.208 594 K C 2.335 178.950 176.600 0.025 0.000 1.048 594 K CA 1.126 57.436 56.287 0.039 0.000 0.928 594 K CB -0.391 32.135 32.500 0.043 0.000 0.713 594 K HN 0.280 nan 8.250 nan 0.000 0.442 595 Y N 1.888 122.122 120.300 -0.110 0.000 2.114 595 Y HA -0.186 4.364 4.550 0.001 0.000 0.284 595 Y C 1.896 177.709 175.900 -0.144 0.000 1.143 595 Y CA 1.371 59.327 58.100 -0.240 0.000 1.135 595 Y CB -0.338 37.738 38.460 -0.640 0.000 0.980 595 Y HN -0.096 nan 8.280 nan 0.000 0.499 596 L N 0.251 121.427 121.223 -0.077 0.000 2.042 596 L HA -0.230 4.111 4.340 0.001 0.000 0.210 596 L C 2.600 179.392 176.870 -0.130 0.000 1.076 596 L CA 1.981 56.758 54.840 -0.104 0.000 0.749 596 L CB -0.730 41.367 42.059 0.063 0.000 0.893 596 L HN 0.354 nan 8.230 nan 0.000 0.432 597 E N 0.364 120.517 120.200 -0.078 0.000 2.038 597 E HA -0.303 4.048 4.350 0.001 0.000 0.195 597 E C 1.776 178.314 176.600 -0.103 0.000 1.000 597 E CA 1.935 58.293 56.400 -0.070 0.000 0.803 597 E CB 0.029 29.707 29.700 -0.037 0.000 0.750 597 E HN 0.403 nan 8.360 nan 0.000 0.448 598 D N -0.339 119.982 120.400 -0.132 0.000 2.085 598 D HA -0.153 4.488 4.640 0.001 0.000 0.199 598 D C 2.035 178.225 176.300 -0.184 0.000 0.981 598 D CA 1.251 55.171 54.000 -0.135 0.000 0.834 598 D CB -0.021 40.706 40.800 -0.120 0.000 0.992 598 D HN 0.118 nan 8.370 nan 0.000 0.457 599 Q N -0.433 119.176 119.800 -0.318 0.000 2.245 599 Q HA 0.028 4.368 4.340 0.001 0.000 0.201 599 Q C 2.200 178.065 176.000 -0.226 0.000 0.955 599 Q CA 0.649 56.245 55.803 -0.345 0.000 0.870 599 Q CB 0.526 28.849 28.738 -0.693 0.000 0.945 599 Q HN 0.322 nan 8.270 nan 0.000 0.461 600 V N 0.017 119.808 119.914 -0.204 0.000 3.048 600 V HA 0.023 4.144 4.120 0.001 0.000 0.241 600 V C 1.160 177.184 176.094 -0.116 0.000 1.129 600 V CA 0.571 62.788 62.300 -0.137 0.000 1.128 600 V CB -0.388 31.350 31.823 -0.142 0.000 0.849 600 V HN 0.259 nan 8.190 nan 0.000 0.475 601 N N 1.223 119.859 118.700 -0.106 0.000 1.241 601 N HA -0.390 4.351 4.740 0.001 0.000 0.135 601 N C 1.244 176.717 175.510 -0.062 0.000 0.723 601 N CA 2.563 55.566 53.050 -0.078 0.000 0.950 601 N CB -1.495 36.945 38.487 -0.078 0.000 1.215 601 N HN 0.427 nan 8.380 nan 0.000 0.520 602 A N -0.591 122.195 122.820 -0.055 0.000 2.125 602 A HA -0.068 4.252 4.320 0.001 0.000 0.219 602 A C 1.156 178.714 177.584 -0.042 0.000 1.156 602 A CA 2.051 54.063 52.037 -0.041 0.000 0.671 602 A CB -0.339 18.637 19.000 -0.040 0.000 0.794 602 A HN 0.580 nan 8.150 nan 0.000 0.459 603 D N -0.920 119.442 120.400 -0.063 0.000 2.342 603 D HA 0.157 4.798 4.640 0.001 0.000 0.221 603 D C -0.177 176.069 176.300 -0.090 0.000 1.101 603 D CA -0.120 53.838 54.000 -0.071 0.000 0.837 603 D CB 0.156 40.903 40.800 -0.088 0.000 0.938 603 D HN 0.321 nan 8.370 nan 0.000 0.508 604 L N 2.395 123.573 121.223 -0.076 0.000 2.361 604 L HA 0.275 4.616 4.340 0.001 0.000 0.278 604 L C -2.324 174.536 176.870 -0.018 0.000 1.113 604 L CA -1.352 53.443 54.840 -0.075 0.000 0.849 604 L CB 0.534 42.560 42.059 -0.055 0.000 1.155 604 L HN -0.263 nan 8.230 nan 0.000 0.452 605 P HA -0.019 nan 4.420 nan 0.000 0.269 605 P C -0.009 177.359 177.300 0.112 0.000 1.209 605 P CA 0.090 63.231 63.100 0.068 0.000 0.776 605 P CB 0.308 32.054 31.700 0.076 0.000 0.876 606 Y N 2.350 122.665 120.300 0.024 0.000 2.151 606 Y HA -0.279 4.272 4.550 0.001 0.000 0.284 606 Y C 1.973 177.900 175.900 0.044 0.000 1.166 606 Y CA 1.885 60.002 58.100 0.028 0.000 1.163 606 Y CB -0.182 38.293 38.460 0.024 0.000 0.974 606 Y HN 0.449 nan 8.280 nan 0.000 0.511 607 E N -0.377 119.971 120.200 0.245 0.000 2.160 607 E HA -0.231 4.120 4.350 0.001 0.000 0.195 607 E C 1.999 178.652 176.600 0.088 0.000 0.991 607 E CA 1.550 58.054 56.400 0.174 0.000 0.810 607 E CB -0.236 29.595 29.700 0.219 0.000 0.742 607 E HN 0.502 nan 8.360 nan 0.000 0.466 608 I N 1.092 121.720 120.570 0.097 0.000 2.286 608 I HA -0.202 3.968 4.170 0.001 0.000 0.245 608 I C 2.471 178.634 176.117 0.077 0.000 1.104 608 I CA 0.992 62.377 61.300 0.141 0.000 1.397 608 I CB -0.166 37.926 38.000 0.153 0.000 1.072 608 I HN 0.012 nan 8.210 nan 0.000 0.417 609 E N 1.010 121.199 120.200 -0.019 0.000 2.085 609 E HA -0.279 4.071 4.350 0.001 0.000 0.194 609 E C 2.400 178.892 176.600 -0.179 0.000 0.994 609 E CA 1.307 57.649 56.400 -0.097 0.000 0.801 609 E CB -0.058 29.540 29.700 -0.171 0.000 0.743 609 E HN 0.373 nan 8.360 nan 0.000 0.453 610 R N 0.263 120.618 120.500 -0.243 0.000 2.081 610 R HA -0.129 4.212 4.340 0.001 0.000 0.235 610 R C 2.171 178.358 176.300 -0.189 0.000 1.131 610 R CA 1.465 57.428 56.100 -0.228 0.000 0.960 610 R CB 0.015 30.207 30.300 -0.180 0.000 0.856 610 R HN 0.028 nan 8.270 nan 0.000 0.436 611 E N 0.766 120.854 120.200 -0.187 0.000 2.110 611 E HA -0.208 4.143 4.350 0.001 0.000 0.193 611 E C 1.929 178.146 176.600 -0.637 0.000 0.988 611 E CA 0.874 57.062 56.400 -0.354 0.000 0.804 611 E CB -0.312 29.216 29.700 -0.286 0.000 0.745 611 E HN 0.268 nan 8.360 nan 0.000 0.458 612 L N 1.381 122.310 121.223 -0.490 0.000 2.017 612 L HA -0.155 4.186 4.340 0.001 0.000 0.208 612 L C 2.288 179.042 176.870 -0.193 0.000 1.073 612 L CA 1.730 56.382 54.840 -0.313 0.000 0.745 612 L CB -0.290 41.798 42.059 0.048 0.000 0.894 612 L HN -0.069 nan 8.230 nan 0.000 0.432 613 R N -0.332 120.073 120.500 -0.159 0.000 2.096 613 R HA -0.182 4.158 4.340 0.001 0.000 0.240 613 R C 2.257 178.475 176.300 -0.138 0.000 1.139 613 R CA 1.509 57.535 56.100 -0.124 0.000 0.952 613 R CB -0.874 29.352 30.300 -0.125 0.000 0.854 613 R HN 0.564 nan 8.270 nan 0.000 0.436 614 A N 1.328 124.039 122.820 -0.182 0.000 1.902 614 A HA -0.174 4.147 4.320 0.001 0.000 0.217 614 A C 2.120 179.585 177.584 -0.200 0.000 1.181 614 A CA 1.224 53.151 52.037 -0.183 0.000 0.623 614 A CB -0.514 18.363 19.000 -0.206 0.000 0.818 614 A HN 0.252 nan 8.150 nan 0.000 0.443 615 L N -0.097 120.975 121.223 -0.251 0.000 2.017 615 L HA -0.137 4.204 4.340 0.001 0.000 0.208 615 L C 2.194 179.002 176.870 -0.105 0.000 1.073 615 L CA 2.285 57.003 54.840 -0.203 0.000 0.745 615 L CB -0.628 41.311 42.059 -0.200 0.000 0.894 615 L HN 0.345 nan 8.230 nan 0.000 0.432 616 K N -0.879 119.479 120.400 -0.071 0.000 2.074 616 K HA -0.281 4.039 4.320 0.001 0.000 0.209 616 K C 2.193 178.768 176.600 -0.042 0.000 1.048 616 K CA 1.892 58.163 56.287 -0.027 0.000 0.926 616 K CB -0.217 32.270 32.500 -0.021 0.000 0.713 616 K HN 0.357 nan 8.250 nan 0.000 0.444 617 Q N 1.123 120.882 119.800 -0.068 0.000 2.046 617 Q HA -0.101 4.239 4.340 0.001 0.000 0.200 617 Q C 1.861 177.819 176.000 -0.070 0.000 0.975 617 Q CA 1.555 57.320 55.803 -0.064 0.000 0.836 617 Q CB 0.057 28.751 28.738 -0.072 0.000 0.896 617 Q HN 0.184 nan 8.270 nan 0.000 0.428 618 R N -0.347 120.093 120.500 -0.100 0.000 2.096 618 R HA -0.086 4.255 4.340 0.001 0.000 0.235 618 R C 2.080 178.325 176.300 -0.093 0.000 1.127 618 R CA 1.330 57.362 56.100 -0.114 0.000 0.968 618 R CB -0.367 29.832 30.300 -0.169 0.000 0.861 618 R HN 0.322 nan 8.270 nan 0.000 0.440 619 I N 1.078 121.603 120.570 -0.074 0.000 2.315 619 I HA -0.215 3.956 4.170 0.001 0.000 0.248 619 I C 2.591 178.703 176.117 -0.009 0.000 1.117 619 I CA 1.514 62.797 61.300 -0.029 0.000 1.404 619 I CB -1.385 36.636 38.000 0.034 0.000 1.071 619 I HN 0.193 nan 8.210 nan 0.000 0.419 620 S N 0.643 116.334 115.700 -0.015 0.000 2.419 620 S HA -0.170 4.301 4.470 0.001 0.000 0.233 620 S C 1.627 176.218 174.600 -0.014 0.000 1.016 620 S CA 0.816 59.011 58.200 -0.009 0.000 0.974 620 S CB -0.252 62.940 63.200 -0.014 0.000 0.786 620 S HN 0.437 nan 8.310 nan 0.000 0.492 621 Q N 1.052 120.836 119.800 -0.027 0.000 2.360 621 Q HA 0.321 4.661 4.340 0.001 0.000 0.202 621 Q C 0.980 176.965 176.000 -0.025 0.000 0.915 621 Q CA 0.089 55.876 55.803 -0.027 0.000 0.943 621 Q CB -0.041 28.674 28.738 -0.038 0.000 1.064 621 Q HN 0.870 nan 8.270 nan 0.000 0.511 622 M N 0.000 119.587 119.600 -0.021 0.000 2.572 622 M HA 0.000 4.481 4.480 0.001 0.000 0.227 622 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 622 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411