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 2rk7_1_A 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 AXXXXXXXXX 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 55.798 55.803 -0.008 0.000 1.022 4 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 5 L N 0.490 121.639 121.223 -0.122 0.000 2.375 5 L HA 0.221 4.552 4.340 -0.014 0.000 0.215 5 L C 0.420 177.001 176.870 -0.482 0.000 1.108 5 L CA 1.763 56.419 54.840 -0.307 0.000 0.830 5 L CB -0.633 41.185 42.059 -0.402 0.000 0.959 5 L HN 0.741 nan 8.230 nan 0.000 0.457 6 H N -2.716 116.350 119.070 -0.007 0.000 4.162 6 H HA 0.360 4.908 4.556 -0.014 0.000 0.374 6 H C 0.169 175.482 175.328 -0.024 0.000 1.389 6 H CA -0.476 55.563 56.048 -0.015 0.000 1.108 6 H CB 0.181 29.934 29.762 -0.015 0.000 0.909 6 H HN -0.222 nan 8.280 nan 0.000 0.731 7 N N -0.980 117.797 118.700 0.128 0.000 2.305 7 N HA 0.208 4.939 4.740 -0.014 0.000 0.248 7 N C 0.177 175.661 175.510 -0.043 0.000 1.290 7 N CA 0.148 53.208 53.050 0.016 0.000 0.873 7 N CB 1.571 40.053 38.487 -0.007 0.000 1.261 7 N HN 0.558 nan 8.380 nan 0.000 0.504 8 G N -0.560 108.236 108.800 -0.006 0.000 3.502 8 G HA2 0.249 4.200 3.960 -0.014 0.000 0.267 8 G HA3 0.249 4.200 3.960 -0.014 0.000 0.267 8 G C 0.621 175.518 174.900 -0.006 0.000 1.090 8 G CA 0.002 45.076 45.100 -0.044 0.000 0.795 8 G HN 0.183 nan 8.290 nan 0.000 0.535 9 L N -1.104 120.128 121.223 0.015 0.000 2.854 9 L HA 0.287 4.618 4.340 -0.014 0.000 0.249 9 L C -0.017 176.953 176.870 0.167 0.000 1.091 9 L CA -0.165 54.748 54.840 0.121 0.000 0.935 9 L CB 0.698 42.821 42.059 0.106 0.000 1.367 9 L HN -0.029 nan 8.230 nan 0.000 0.524 10 D N 0.218 120.648 120.400 0.050 0.000 2.339 10 D HA 0.115 4.746 4.640 -0.014 0.000 0.241 10 D C 0.147 176.447 176.300 -0.001 0.000 1.183 10 D CA -0.044 53.997 54.000 0.068 0.000 0.859 10 D CB 0.798 41.613 40.800 0.025 0.000 1.067 10 D HN -0.026 nan 8.370 nan 0.000 0.484 11 F N 1.920 121.881 119.950 0.018 0.000 2.660 11 F HA 0.064 4.583 4.527 -0.014 0.000 0.302 11 F C 2.299 178.111 175.800 0.020 0.000 1.103 11 F CA -0.202 57.809 58.000 0.017 0.000 1.340 11 F CB 0.349 39.356 39.000 0.013 0.000 1.048 11 F HN 0.304 nan 8.300 nan 0.000 0.551 12 S N 0.506 116.277 115.700 0.118 0.000 2.374 12 S HA -0.283 4.178 4.470 -0.014 0.000 0.227 12 S C 2.398 177.033 174.600 0.059 0.000 1.037 12 S CA 1.447 59.694 58.200 0.078 0.000 1.024 12 S CB -0.394 62.833 63.200 0.045 0.000 0.861 12 S HN 0.448 nan 8.310 nan 0.000 0.456 13 A N 0.780 123.617 122.820 0.029 0.000 2.172 13 A HA -0.008 4.303 4.320 -0.014 0.000 0.216 13 A C 1.788 179.414 177.584 0.071 0.000 1.154 13 A CA 0.958 53.010 52.037 0.025 0.000 0.701 13 A CB -0.109 18.887 19.000 -0.008 0.000 0.789 13 A HN 0.198 nan 8.150 nan 0.000 0.465 14 K N -0.190 120.280 120.400 0.117 0.000 2.404 14 K HA 0.173 4.484 4.320 -0.014 0.000 0.194 14 K C -0.041 176.684 176.600 0.210 0.000 1.023 14 K CA 0.115 56.535 56.287 0.222 0.000 1.094 14 K CB 0.115 32.800 32.500 0.308 0.000 0.841 14 K HN 0.282 nan 8.250 nan 0.000 0.523 15 V N 3.752 123.734 119.914 0.114 0.000 2.427 15 V HA 0.086 4.198 4.120 -0.014 0.000 0.268 15 V C 1.551 177.630 176.094 -0.025 0.000 1.046 15 V CA -0.082 62.247 62.300 0.048 0.000 0.970 15 V CB 0.403 32.245 31.823 0.031 0.000 1.001 15 V HN 0.181 nan 8.190 nan 0.000 0.476 16 I N 1.530 122.053 120.570 -0.079 0.000 3.941 16 I HA 0.385 4.546 4.170 -0.014 0.000 0.321 16 I C 0.626 176.634 176.117 -0.181 0.000 1.284 16 I CA 0.415 61.616 61.300 -0.164 0.000 1.226 16 I CB 0.321 38.149 38.000 -0.287 0.000 1.045 16 I HN 0.630 nan 8.210 nan 0.000 0.420 17 Q N 1.311 120.970 119.800 -0.235 0.000 2.295 17 Q HA 0.522 4.854 4.340 -0.014 0.000 0.268 17 Q C -0.217 175.658 176.000 -0.208 0.000 1.010 17 Q CA 0.084 55.708 55.803 -0.299 0.000 0.856 17 Q CB 2.150 30.503 28.738 -0.642 0.000 1.349 17 Q HN 0.512 nan 8.270 nan 0.000 0.412 18 G N 1.715 110.438 108.800 -0.129 0.000 2.615 18 G HA2 -0.115 3.837 3.960 -0.014 0.000 0.218 18 G HA3 -0.115 3.837 3.960 -0.014 0.000 0.218 18 G C -0.918 173.955 174.900 -0.046 0.000 1.339 18 G CA -0.206 44.849 45.100 -0.075 0.000 0.884 18 G HN 1.105 nan 8.290 nan 0.000 0.559 19 S N -1.595 114.090 115.700 -0.024 0.000 2.566 19 S HA 0.559 5.021 4.470 -0.014 0.000 0.273 19 S C 1.120 175.723 174.600 0.006 0.000 1.157 19 S CA 0.201 58.397 58.200 -0.007 0.000 0.938 19 S CB 1.275 64.471 63.200 -0.006 0.000 1.087 19 S HN 1.128 nan 8.310 nan 0.000 0.474 20 L N 2.496 123.731 121.223 0.021 0.000 2.131 20 L HA -0.033 4.299 4.340 -0.014 0.000 0.210 20 L C 1.448 178.334 176.870 0.028 0.000 1.092 20 L CA 1.071 55.930 54.840 0.031 0.000 0.759 20 L CB -0.326 41.765 42.059 0.053 0.000 0.903 20 L HN 0.643 nan 8.230 nan 0.000 0.435 21 D N -0.721 119.692 120.400 0.022 0.000 2.312 21 D HA -0.095 4.537 4.640 -0.014 0.000 0.211 21 D C 2.233 178.541 176.300 0.014 0.000 0.964 21 D CA 0.839 54.851 54.000 0.019 0.000 0.877 21 D CB 0.152 40.962 40.800 0.016 0.000 0.924 21 D HN 0.171 nan 8.370 nan 0.000 0.515 22 S N -0.086 115.618 115.700 0.008 0.000 2.478 22 S HA 0.095 4.557 4.470 -0.014 0.000 0.222 22 S C 1.110 175.711 174.600 0.002 0.000 1.008 22 S CA -0.145 58.057 58.200 0.003 0.000 0.928 22 S CB 0.392 63.590 63.200 -0.004 0.000 0.781 22 S HN 0.192 nan 8.310 nan 0.000 0.518 23 L N 2.546 123.773 121.223 0.006 0.000 2.461 23 L HA 0.203 4.534 4.340 -0.014 0.000 0.272 23 L C -2.318 174.559 176.870 0.012 0.000 1.197 23 L CA -1.814 53.027 54.840 0.002 0.000 0.836 23 L CB -0.429 41.635 42.059 0.008 0.000 1.105 23 L HN -0.040 nan 8.230 nan 0.000 0.477 24 P HA -0.037 nan 4.420 nan 0.000 0.267 24 P C 0.236 177.573 177.300 0.061 0.000 1.200 24 P CA -0.089 63.029 63.100 0.030 0.000 0.772 24 P CB 0.533 32.249 31.700 0.026 0.000 0.855 25 Q N 1.870 121.712 119.800 0.069 0.000 2.047 25 Q HA -0.308 4.024 4.340 -0.014 0.000 0.211 25 Q C 1.386 177.458 176.000 0.120 0.000 1.005 25 Q CA 1.857 57.708 55.803 0.079 0.000 0.866 25 Q CB -0.124 28.653 28.738 0.065 0.000 0.938 25 Q HN 0.405 nan 8.270 nan 0.000 0.414 26 E N -0.463 119.835 120.200 0.164 0.000 2.204 26 E HA -0.118 4.224 4.350 -0.014 0.000 0.194 26 E C 2.066 178.905 176.600 0.397 0.000 0.989 26 E CA 0.854 57.402 56.400 0.247 0.000 0.824 26 E CB -0.033 29.814 29.700 0.245 0.000 0.756 26 E HN 0.286 nan 8.360 nan 0.000 0.477 27 V N 1.111 121.193 119.914 0.280 0.000 2.379 27 V HA -0.172 3.940 4.120 -0.014 0.000 0.245 27 V C 2.582 178.782 176.094 0.177 0.000 1.044 27 V CA 1.506 63.893 62.300 0.145 0.000 1.036 27 V CB -0.464 31.281 31.823 -0.130 0.000 0.664 27 V HN 0.174 nan 8.190 nan 0.000 0.453 28 R N 0.388 120.960 120.500 0.120 0.000 2.083 28 R HA -0.188 4.144 4.340 -0.014 0.000 0.237 28 R C 2.414 178.781 176.300 0.112 0.000 1.137 28 R CA 1.730 57.885 56.100 0.092 0.000 0.951 28 R CB -0.173 30.170 30.300 0.072 0.000 0.851 28 R HN 0.459 nan 8.270 nan 0.000 0.434 29 K N -0.452 120.039 120.400 0.151 0.000 2.097 29 K HA -0.177 4.135 4.320 -0.014 0.000 0.206 29 K C 1.970 178.689 176.600 0.198 0.000 1.049 29 K CA 1.392 57.769 56.287 0.149 0.000 0.933 29 K CB -0.325 32.260 32.500 0.142 0.000 0.717 29 K HN 0.142 nan 8.250 nan 0.000 0.442 30 F N 1.805 121.825 119.950 0.116 0.000 2.102 30 F HA -0.202 4.316 4.527 -0.014 0.000 0.298 30 F C 1.959 177.803 175.800 0.074 0.000 1.105 30 F CA 1.071 59.148 58.000 0.128 0.000 1.239 30 F CB -0.500 38.660 39.000 0.268 0.000 0.991 30 F HN -0.295 nan 8.300 nan 0.000 0.474 31 V N 1.531 121.384 119.914 -0.102 0.000 2.270 31 V HA -0.299 3.813 4.120 -0.014 0.000 0.245 31 V C 2.434 178.394 176.094 -0.222 0.000 1.043 31 V CA 2.297 64.456 62.300 -0.235 0.000 1.014 31 V CB -1.036 30.732 31.823 -0.092 0.000 0.645 31 V HN 0.553 nan 8.190 nan 0.000 0.447 32 E N 0.843 120.978 120.200 -0.110 0.000 2.107 32 E HA -0.082 4.260 4.350 -0.014 0.000 0.191 32 E C 2.253 178.769 176.600 -0.141 0.000 0.982 32 E CA 1.370 57.697 56.400 -0.122 0.000 0.809 32 E CB -0.755 28.967 29.700 0.036 0.000 0.756 32 E HN 0.454 nan 8.360 nan 0.000 0.459 33 G N 1.175 109.941 108.800 -0.058 0.000 2.418 33 G HA2 -0.249 3.703 3.960 -0.014 0.000 0.217 33 G HA3 -0.249 3.703 3.960 -0.014 0.000 0.217 33 G C 1.607 176.467 174.900 -0.068 0.000 1.158 33 G CA 0.823 45.913 45.100 -0.018 0.000 0.771 33 G HN 0.173 nan 8.290 nan 0.000 0.545 34 N N 0.960 119.570 118.700 -0.149 0.000 2.300 34 N HA -0.009 4.723 4.740 -0.014 0.000 0.179 34 N C 2.529 177.907 175.510 -0.220 0.000 1.016 34 N CA 0.927 53.883 53.050 -0.156 0.000 0.876 34 N CB -0.143 38.196 38.487 -0.247 0.000 0.979 34 N HN 0.302 nan 8.380 nan 0.000 0.432 35 A N 1.385 123.964 122.820 -0.401 0.000 1.933 35 A HA -0.167 4.144 4.320 -0.014 0.000 0.218 35 A C 2.164 179.359 177.584 -0.649 0.000 1.175 35 A CA 1.181 52.796 52.037 -0.704 0.000 0.628 35 A CB -0.492 17.745 19.000 -1.272 0.000 0.814 35 A HN 0.301 nan 8.150 nan 0.000 0.444 36 Q N -1.093 118.476 119.800 -0.386 0.000 2.084 36 Q HA -0.152 4.180 4.340 -0.014 0.000 0.202 36 Q C 2.114 178.144 176.000 0.050 0.000 0.978 36 Q CA 1.569 57.397 55.803 0.042 0.000 0.844 36 Q CB -0.319 28.493 28.738 0.124 0.000 0.898 36 Q HN 0.649 nan 8.270 nan 0.000 0.426 37 L N -0.355 120.871 121.223 0.004 0.000 2.023 37 L HA -0.119 4.213 4.340 -0.014 0.000 0.205 37 L C 1.946 178.831 176.870 0.026 0.000 1.073 37 L CA 1.751 56.611 54.840 0.034 0.000 0.745 37 L CB -0.381 41.716 42.059 0.063 0.000 0.900 37 L HN 0.228 nan 8.230 nan 0.000 0.435 38 C N -0.357 118.947 119.300 0.008 0.000 2.563 38 C HA 0.166 4.618 4.460 -0.014 0.000 0.268 38 C C 0.722 175.718 174.990 0.009 0.000 1.365 38 C CA -0.442 58.594 59.018 0.029 0.000 1.754 38 C CB -0.726 27.046 27.740 0.053 0.000 1.932 38 C HN 0.688 nan 8.230 nan 0.000 0.536 39 Q N -0.579 119.227 119.800 0.008 0.000 2.464 39 Q HA -0.141 4.190 4.340 -0.014 0.000 0.304 39 Q C -2.403 173.625 176.000 0.048 0.000 1.401 39 Q CA 0.680 56.530 55.803 0.078 0.000 0.806 39 Q CB -1.750 27.034 28.738 0.076 0.000 1.134 39 Q HN 0.459 nan 8.270 nan 0.000 0.411 40 P HA -0.019 nan 4.420 nan 0.000 0.269 40 P C 0.739 178.043 177.300 0.007 0.000 1.215 40 P CA 0.125 63.218 63.100 -0.012 0.000 0.780 40 P CB 0.736 32.408 31.700 -0.045 0.000 0.898 41 E N 1.194 121.323 120.200 -0.119 0.000 2.107 41 E HA -0.129 4.212 4.350 -0.014 0.000 0.191 41 E C -0.322 176.045 176.600 -0.389 0.000 0.982 41 E CA 1.118 57.319 56.400 -0.331 0.000 0.809 41 E CB 0.069 29.445 29.700 -0.540 0.000 0.756 41 E HN 0.423 nan 8.360 nan 0.000 0.459 42 Y N -0.966 119.339 120.300 0.007 0.000 2.553 42 Y HA 0.473 5.014 4.550 -0.014 0.000 0.347 42 Y C -0.510 175.361 175.900 -0.047 0.000 1.019 42 Y CA -1.131 56.964 58.100 -0.009 0.000 1.032 42 Y CB 1.519 39.951 38.460 -0.048 0.000 1.284 42 Y HN -0.143 nan 8.280 nan 0.000 0.466 43 I N 1.850 122.521 120.570 0.169 0.000 2.418 43 I HA 0.276 4.438 4.170 -0.014 0.000 0.287 43 I C -1.058 175.085 176.117 0.043 0.000 1.008 43 I CA -0.532 60.800 61.300 0.053 0.000 1.104 43 I CB 1.496 39.526 38.000 0.049 0.000 1.264 43 I HN 0.638 nan 8.210 nan 0.000 0.438 44 H N 6.896 125.908 119.070 -0.098 0.000 2.685 44 H HA 0.523 5.071 4.556 -0.014 0.000 0.307 44 H C -0.857 174.501 175.328 0.050 0.000 1.017 44 H CA -0.560 55.463 56.048 -0.041 0.000 1.237 44 H CB 0.915 30.625 29.762 -0.086 0.000 1.409 44 H HN 0.481 nan 8.280 nan 0.000 0.488 45 I N 5.987 126.543 120.570 -0.023 0.000 2.347 45 I HA 0.056 4.217 4.170 -0.014 0.000 0.294 45 I C 0.155 176.312 176.117 0.066 0.000 1.090 45 I CA -0.410 60.915 61.300 0.042 0.000 1.314 45 I CB 0.223 38.215 38.000 -0.013 0.000 1.423 45 I HN 0.624 nan 8.210 nan 0.000 0.503 46 C N 5.320 124.762 119.300 0.236 0.000 2.642 46 C HA 0.008 4.459 4.460 -0.014 0.000 0.420 46 C C 1.577 176.637 174.990 0.118 0.000 1.349 46 C CA -0.390 58.778 59.018 0.251 0.000 1.821 46 C CB -0.347 27.530 27.740 0.228 0.000 2.637 46 C HN 0.814 nan 8.230 nan 0.000 0.605 47 D N 0.164 120.625 120.400 0.102 0.000 2.367 47 D HA 0.161 4.793 4.640 -0.014 0.000 0.207 47 D C 1.486 177.814 176.300 0.046 0.000 1.034 47 D CA 0.725 54.757 54.000 0.053 0.000 0.861 47 D CB -0.248 40.571 40.800 0.032 0.000 0.943 47 D HN 0.940 nan 8.370 nan 0.000 0.515 48 G N 0.541 109.375 108.800 0.056 0.000 2.162 48 G HA2 -0.298 3.653 3.960 -0.014 0.000 0.260 48 G HA3 -0.298 3.653 3.960 -0.014 0.000 0.260 48 G C 0.430 175.338 174.900 0.013 0.000 0.976 48 G CA 0.609 45.719 45.100 0.017 0.000 0.655 48 G HN 0.875 nan 8.290 nan 0.000 0.533 49 S N -0.429 115.299 115.700 0.045 0.000 2.593 49 S HA 0.493 4.954 4.470 -0.014 0.000 0.269 49 S C 1.203 175.854 174.600 0.085 0.000 1.334 49 S CA 0.713 58.945 58.200 0.053 0.000 1.015 49 S CB 1.864 65.099 63.200 0.059 0.000 0.912 49 S HN 0.466 nan 8.310 nan 0.000 0.541 50 E N 1.117 121.372 120.200 0.091 0.000 2.110 50 E HA -0.139 4.203 4.350 -0.014 0.000 0.193 50 E C 1.516 178.213 176.600 0.162 0.000 0.988 50 E CA 1.704 58.196 56.400 0.153 0.000 0.804 50 E CB -0.405 29.370 29.700 0.124 0.000 0.745 50 E HN 0.792 nan 8.360 nan 0.000 0.458 51 E N 0.610 120.876 120.200 0.110 0.000 2.051 51 E HA -0.187 4.154 4.350 -0.014 0.000 0.192 51 E C 1.959 178.616 176.600 0.095 0.000 0.991 51 E CA 1.474 57.927 56.400 0.089 0.000 0.799 51 E CB -0.354 29.387 29.700 0.067 0.000 0.748 51 E HN 0.500 nan 8.360 nan 0.000 0.449 52 E N -0.502 119.767 120.200 0.115 0.000 2.070 52 E HA -0.285 4.057 4.350 -0.014 0.000 0.197 52 E C 1.961 178.635 176.600 0.123 0.000 1.004 52 E CA 1.166 57.646 56.400 0.133 0.000 0.805 52 E CB -0.241 29.559 29.700 0.166 0.000 0.744 52 E HN 0.331 nan 8.360 nan 0.000 0.451 53 Y N 0.649 120.942 120.300 -0.011 0.000 2.089 53 Y HA -0.051 4.490 4.550 -0.014 0.000 0.282 53 Y C 2.252 178.113 175.900 -0.066 0.000 1.139 53 Y CA 2.041 60.109 58.100 -0.054 0.000 1.123 53 Y CB -0.966 37.474 38.460 -0.033 0.000 0.980 53 Y HN 0.106 nan 8.280 nan 0.000 0.493 54 G N -0.151 108.603 108.800 -0.077 0.000 2.442 54 G HA2 -0.266 3.686 3.960 -0.014 0.000 0.219 54 G HA3 -0.266 3.686 3.960 -0.014 0.000 0.219 54 G C 1.826 176.654 174.900 -0.120 0.000 1.141 54 G CA 0.948 45.962 45.100 -0.144 0.000 0.763 54 G HN 0.376 nan 8.290 nan 0.000 0.554 55 R N -0.913 119.559 120.500 -0.046 0.000 2.075 55 R HA 0.090 4.421 4.340 -0.014 0.000 0.232 55 R C 2.424 178.700 176.300 -0.041 0.000 1.126 55 R CA 0.695 56.784 56.100 -0.019 0.000 0.963 55 R CB -0.443 29.867 30.300 0.017 0.000 0.858 55 R HN 0.309 nan 8.270 nan 0.000 0.435 56 L N 0.963 122.137 121.223 -0.082 0.000 2.046 56 L HA -0.114 4.217 4.340 -0.014 0.000 0.208 56 L C 1.890 178.642 176.870 -0.195 0.000 1.077 56 L CA 1.597 56.378 54.840 -0.098 0.000 0.747 56 L CB -0.375 41.595 42.059 -0.148 0.000 0.896 56 L HN 0.158 nan 8.230 nan 0.000 0.432 57 L N -1.053 119.927 121.223 -0.405 0.000 2.046 57 L HA -0.196 4.135 4.340 -0.014 0.000 0.208 57 L C 2.584 179.130 176.870 -0.540 0.000 1.077 57 L CA 1.279 55.681 54.840 -0.730 0.000 0.747 57 L CB -0.847 40.490 42.059 -1.203 0.000 0.896 57 L HN 0.330 nan 8.230 nan 0.000 0.432 58 A N -1.342 121.328 122.820 -0.251 0.000 1.969 58 A HA -0.250 4.062 4.320 -0.014 0.000 0.218 58 A C 2.247 179.843 177.584 0.021 0.000 1.169 58 A CA 1.420 53.432 52.037 -0.041 0.000 0.635 58 A CB -0.874 18.153 19.000 0.044 0.000 0.810 58 A HN 0.541 nan 8.150 nan 0.000 0.445 59 H N -0.745 118.278 119.070 -0.079 0.000 2.357 59 H HA -0.029 4.519 4.556 -0.014 0.000 0.301 59 H C 1.987 177.299 175.328 -0.028 0.000 1.082 59 H CA 1.740 57.767 56.048 -0.034 0.000 1.342 59 H CB -0.126 29.620 29.762 -0.027 0.000 1.389 59 H HN 0.443 nan 8.280 nan 0.000 0.511 60 M N 0.459 119.930 119.600 -0.216 0.000 2.159 60 M HA -0.191 4.281 4.480 -0.014 0.000 0.263 60 M C 2.639 178.874 176.300 -0.108 0.000 1.063 60 M CA 1.519 56.687 55.300 -0.220 0.000 1.110 60 M CB -0.234 32.274 32.600 -0.153 0.000 1.374 60 M HN 0.400 nan 8.290 nan 0.000 0.411 61 Q N 0.636 120.403 119.800 -0.056 0.000 2.050 61 Q HA -0.266 4.065 4.340 -0.014 0.000 0.202 61 Q C 1.825 177.860 176.000 0.059 0.000 0.980 61 Q CA 1.941 57.795 55.803 0.085 0.000 0.840 61 Q CB -0.024 28.847 28.738 0.222 0.000 0.898 61 Q HN 0.343 nan 8.270 nan 0.000 0.424 62 E N 0.649 120.865 120.200 0.026 0.000 2.153 62 E HA -0.182 4.159 4.350 -0.014 0.000 0.194 62 E C 1.345 177.941 176.600 -0.005 0.000 0.988 62 E CA 1.479 57.896 56.400 0.029 0.000 0.811 62 E CB 0.054 29.787 29.700 0.054 0.000 0.746 62 E HN 0.428 nan 8.360 nan 0.000 0.466 63 E N -1.226 118.927 120.200 -0.079 0.000 2.435 63 E HA 0.037 4.378 4.350 -0.014 0.000 0.195 63 E C 0.937 177.525 176.600 -0.020 0.000 1.029 63 E CA 0.485 56.836 56.400 -0.081 0.000 0.865 63 E CB 0.143 29.725 29.700 -0.197 0.000 0.833 63 E HN 0.437 nan 8.360 nan 0.000 0.510 64 G N 0.996 109.803 108.800 0.012 0.000 2.143 64 G HA2 -0.293 3.658 3.960 -0.014 0.000 0.249 64 G HA3 -0.293 3.658 3.960 -0.014 0.000 0.249 64 G C 1.040 175.986 174.900 0.076 0.000 0.981 64 G CA 0.442 45.574 45.100 0.052 0.000 0.665 64 G HN 0.244 nan 8.290 nan 0.000 0.528 65 V N 0.653 120.600 119.914 0.056 0.000 2.453 65 V HA 0.186 4.297 4.120 -0.014 0.000 0.247 65 V C 1.593 177.795 176.094 0.179 0.000 1.048 65 V CA 2.123 64.483 62.300 0.100 0.000 1.049 65 V CB -0.376 31.465 31.823 0.029 0.000 0.672 65 V HN 0.797 nan 8.190 nan 0.000 0.457 66 I N -2.700 117.971 120.570 0.168 0.000 3.042 66 I HA 0.634 4.796 4.170 -0.014 0.000 0.310 66 I C -0.592 175.701 176.117 0.294 0.000 1.117 66 I CA -1.175 60.282 61.300 0.261 0.000 1.003 66 I CB 2.327 40.495 38.000 0.281 0.000 1.228 66 I HN -0.190 nan 8.210 nan 0.000 0.443 67 R N 2.104 122.812 120.500 0.346 0.000 2.637 67 R HA 0.462 4.793 4.340 -0.014 0.000 0.291 67 R C -0.864 175.637 176.300 0.336 0.000 0.963 67 R CA -1.011 55.265 56.100 0.294 0.000 0.901 67 R CB 2.478 32.889 30.300 0.184 0.000 1.160 67 R HN 0.562 nan 8.270 nan 0.000 0.457 68 K N 2.689 123.177 120.400 0.147 0.000 2.322 68 K HA 0.194 4.505 4.320 -0.014 0.000 0.283 68 K C -0.637 175.844 176.600 -0.198 0.000 1.042 68 K CA -0.228 55.863 56.287 -0.326 0.000 0.958 68 K CB 0.570 32.773 32.500 -0.495 0.000 0.984 68 K HN 0.418 nan 8.250 nan 0.000 0.473 69 L N 6.699 127.784 121.223 -0.231 0.000 2.282 69 L HA 0.173 4.504 4.340 -0.014 0.000 0.287 69 L C 1.209 177.954 176.870 -0.208 0.000 1.075 69 L CA -0.243 54.525 54.840 -0.121 0.000 0.839 69 L CB 0.735 42.833 42.059 0.065 0.000 1.219 69 L HN 0.706 nan 8.230 nan 0.000 0.434 70 K N 1.812 122.084 120.400 -0.214 0.000 2.362 70 K HA -0.127 4.185 4.320 -0.014 0.000 0.200 70 K C 1.646 178.090 176.600 -0.260 0.000 1.046 70 K CA 0.786 56.949 56.287 -0.207 0.000 0.952 70 K CB 0.079 32.488 32.500 -0.152 0.000 0.753 70 K HN 0.383 nan 8.250 nan 0.000 0.466 71 K N 0.130 120.261 120.400 -0.448 0.000 2.288 71 K HA -0.025 4.286 4.320 -0.014 0.000 0.201 71 K C -0.399 175.858 176.600 -0.571 0.000 1.048 71 K CA 0.711 56.623 56.287 -0.625 0.000 0.956 71 K CB 0.193 32.103 32.500 -0.983 0.000 0.746 71 K HN 0.110 nan 8.250 nan 0.000 0.461 72 Y N -0.241 120.023 120.300 -0.061 0.000 2.621 72 Y HA 0.207 4.748 4.550 -0.014 0.000 0.334 72 Y C -0.329 175.542 175.900 -0.047 0.000 1.074 72 Y CA -2.407 55.674 58.100 -0.032 0.000 1.149 72 Y CB 0.527 38.996 38.460 0.013 0.000 1.302 72 Y HN -0.138 nan 8.280 nan 0.000 0.501 73 D N 1.608 122.111 120.400 0.171 0.000 2.352 73 D HA 0.030 4.661 4.640 -0.014 0.000 0.245 73 D C 0.232 176.582 176.300 0.083 0.000 1.224 73 D CA 0.440 54.493 54.000 0.089 0.000 0.879 73 D CB -0.302 40.552 40.800 0.089 0.000 1.057 73 D HN 0.678 nan 8.370 nan 0.000 0.491 74 N N 3.012 121.718 118.700 0.011 0.000 2.738 74 N HA -0.211 4.521 4.740 -0.014 0.000 0.249 74 N C -1.155 174.361 175.510 0.010 0.000 1.047 74 N CA 0.098 53.168 53.050 0.033 0.000 0.707 74 N CB -1.116 37.486 38.487 0.192 0.000 0.937 74 N HN 0.309 nan 8.380 nan 0.000 0.545 75 C N 0.334 119.515 119.300 -0.199 0.000 2.454 75 C HA 0.731 5.182 4.460 -0.014 0.000 0.336 75 C C -0.101 174.633 174.990 -0.426 0.000 1.189 75 C CA -0.466 58.532 59.018 -0.034 0.000 1.877 75 C CB 0.603 28.533 27.740 0.316 0.000 2.348 75 C HN 0.497 nan 8.230 nan 0.000 0.508 76 W N 1.522 123.012 121.300 0.316 0.000 3.033 76 W HA 0.684 5.335 4.660 -0.015 0.000 0.336 76 W C -0.924 175.811 176.519 0.360 0.000 1.173 76 W CA -0.678 56.826 57.345 0.266 0.000 1.185 76 W CB 1.130 30.694 29.460 0.173 0.000 1.425 76 W HN 0.342 nan 8.180 nan 0.000 0.536 77 L N 2.688 124.235 121.223 0.540 0.000 2.406 77 L HA 0.897 5.228 4.340 -0.014 0.000 0.272 77 L C -0.802 176.300 176.870 0.387 0.000 0.980 77 L CA -0.712 54.394 54.840 0.444 0.000 0.831 77 L CB 1.211 43.464 42.059 0.323 0.000 1.253 77 L HN 0.506 nan 8.230 nan 0.000 0.406 78 A N 6.118 129.165 122.820 0.379 0.000 2.304 78 A HA 0.806 5.117 4.320 -0.014 0.000 0.323 78 A C -1.244 176.439 177.584 0.164 0.000 1.195 78 A CA -0.521 51.695 52.037 0.297 0.000 0.826 78 A CB 0.755 19.982 19.000 0.379 0.000 1.184 78 A HN 0.711 nan 8.150 nan 0.000 0.496 79 L N 3.005 124.294 121.223 0.110 0.000 2.319 79 L HA 0.454 4.786 4.340 -0.014 0.000 0.281 79 L C 0.750 177.548 176.870 -0.120 0.000 1.005 79 L CA -0.609 54.262 54.840 0.051 0.000 0.828 79 L CB 1.860 43.974 42.059 0.092 0.000 1.227 79 L HN 0.917 nan 8.230 nan 0.000 0.415 80 T N -1.995 112.337 114.554 -0.371 0.000 2.847 80 T HA 0.157 4.499 4.350 -0.014 0.000 0.279 80 T C 0.050 174.549 174.700 -0.335 0.000 0.984 80 T CA -0.821 60.752 62.100 -0.879 0.000 0.988 80 T CB 1.569 69.510 68.868 -1.545 0.000 1.040 80 T HN 0.489 nan 8.240 nan 0.000 0.528 81 D N 2.169 122.429 120.400 -0.234 0.000 2.487 81 D HA 0.056 4.687 4.640 -0.014 0.000 0.243 81 D C -1.044 175.229 176.300 -0.046 0.000 1.154 81 D CA -1.843 52.152 54.000 -0.008 0.000 0.876 81 D CB 1.172 42.090 40.800 0.197 0.000 1.161 81 D HN 0.308 nan 8.370 nan 0.000 0.478 82 P HA -0.126 nan 4.420 nan 0.000 0.223 82 P C 0.869 178.199 177.300 0.051 0.000 1.144 82 P CA 0.825 63.988 63.100 0.105 0.000 0.783 82 P CB 0.217 31.960 31.700 0.071 0.000 0.771 83 R N -0.490 120.030 120.500 0.033 0.000 2.280 83 R HA 0.008 4.340 4.340 -0.014 0.000 0.207 83 R C 0.413 176.721 176.300 0.013 0.000 1.043 83 R CA 0.590 56.710 56.100 0.035 0.000 1.006 83 R CB -0.230 30.104 30.300 0.056 0.000 0.885 83 R HN 0.118 nan 8.270 nan 0.000 0.467 84 D N 0.141 120.529 120.400 -0.020 0.000 2.404 84 D HA 0.094 4.726 4.640 -0.014 0.000 0.267 84 D C 0.256 176.368 176.300 -0.314 0.000 1.194 84 D CA -0.359 53.634 54.000 -0.011 0.000 0.910 84 D CB 1.332 42.298 40.800 0.278 0.000 1.090 84 D HN -0.046 nan 8.370 nan 0.000 0.511 85 V N 0.561 120.137 119.914 -0.562 0.000 3.382 85 V HA 0.856 4.967 4.120 -0.014 0.000 0.296 85 V C 0.373 175.681 176.094 -1.310 0.000 1.529 85 V CA 0.374 61.979 62.300 -1.158 0.000 1.048 85 V CB -0.164 30.997 31.823 -1.104 0.000 0.878 85 V HN 0.466 nan 8.190 nan 0.000 0.442 86 A N 0.091 122.502 122.820 -0.682 0.000 2.544 86 A HA 0.704 5.015 4.320 -0.014 0.000 0.291 86 A C -0.682 176.930 177.584 0.047 0.000 1.055 86 A CA -0.995 50.921 52.037 -0.202 0.000 0.651 86 A CB 0.881 19.823 19.000 -0.097 0.000 1.296 86 A HN 0.235 nan 8.150 nan 0.000 0.431 87 R N -0.173 120.419 120.500 0.153 0.000 2.623 87 R HA 0.351 4.682 4.340 -0.014 0.000 0.271 87 R C -0.857 175.502 176.300 0.098 0.000 1.043 87 R CA 0.519 56.715 56.100 0.161 0.000 1.083 87 R CB 0.133 30.541 30.300 0.180 0.000 0.974 87 R HN 0.511 nan 8.270 nan 0.000 0.436 88 I N 2.872 123.505 120.570 0.105 0.000 2.405 88 I HA 0.042 4.203 4.170 -0.014 0.000 0.280 88 I C 1.350 177.514 176.117 0.078 0.000 1.027 88 I CA -0.219 61.129 61.300 0.079 0.000 1.161 88 I CB 1.565 39.615 38.000 0.084 0.000 1.300 88 I HN 0.755 nan 8.210 nan 0.000 0.463 89 E N 3.472 123.698 120.200 0.043 0.000 2.204 89 E HA -0.187 4.155 4.350 -0.014 0.000 0.194 89 E C 1.779 178.408 176.600 0.048 0.000 0.989 89 E CA 1.441 57.857 56.400 0.027 0.000 0.824 89 E CB 0.073 29.753 29.700 -0.033 0.000 0.756 89 E HN 0.665 nan 8.360 nan 0.000 0.477 90 S N 0.634 116.364 115.700 0.050 0.000 2.447 90 S HA -0.079 4.382 4.470 -0.014 0.000 0.233 90 S C 1.590 176.238 174.600 0.079 0.000 1.006 90 S CA 0.802 59.037 58.200 0.058 0.000 0.957 90 S CB -0.101 63.129 63.200 0.050 0.000 0.773 90 S HN 0.237 nan 8.310 nan 0.000 0.507 91 K N 0.958 121.415 120.400 0.095 0.000 2.455 91 K HA 0.232 4.544 4.320 -0.014 0.000 0.206 91 K C -0.680 176.011 176.600 0.153 0.000 1.027 91 K CA -0.041 56.319 56.287 0.122 0.000 1.113 91 K CB 0.946 33.521 32.500 0.126 0.000 0.850 91 K HN 0.210 nan 8.250 nan 0.000 0.503 92 T N 1.698 116.339 114.554 0.144 0.000 2.770 92 T HA 0.378 4.720 4.350 -0.014 0.000 0.283 92 T C -0.509 174.295 174.700 0.173 0.000 0.988 92 T CA -0.688 61.525 62.100 0.189 0.000 0.957 92 T CB 1.375 70.350 68.868 0.178 0.000 0.930 92 T HN 0.004 nan 8.240 nan 0.000 0.443 93 V N 1.393 121.439 119.914 0.219 0.000 3.007 93 V HA 0.752 4.864 4.120 -0.014 0.000 0.311 93 V C -1.004 175.207 176.094 0.195 0.000 1.120 93 V CA -1.208 61.185 62.300 0.157 0.000 0.980 93 V CB 1.993 33.868 31.823 0.086 0.000 1.033 93 V HN 0.807 nan 8.190 nan 0.000 0.429 94 I N 3.111 123.750 120.570 0.115 0.000 2.465 94 I HA 0.524 4.685 4.170 -0.014 0.000 0.291 94 I C -1.186 174.946 176.117 0.026 0.000 1.014 94 I CA -0.588 60.776 61.300 0.105 0.000 1.093 94 I CB 2.081 40.156 38.000 0.126 0.000 1.267 94 I HN 0.510 nan 8.210 nan 0.000 0.431 95 I N 5.488 126.026 120.570 -0.055 0.000 2.339 95 I HA 0.390 4.551 4.170 -0.014 0.000 0.290 95 I C 0.299 176.455 176.117 0.066 0.000 0.994 95 I CA 0.170 61.395 61.300 -0.125 0.000 1.191 95 I CB 1.734 39.579 38.000 -0.258 0.000 1.343 95 I HN 0.623 nan 8.210 nan 0.000 0.458 96 T N 0.725 115.454 114.554 0.290 0.000 2.864 96 T HA 0.330 4.672 4.350 -0.014 0.000 0.299 96 T C 0.441 175.399 174.700 0.430 0.000 1.166 96 T CA -0.738 61.551 62.100 0.315 0.000 1.007 96 T CB 1.580 70.618 68.868 0.282 0.000 1.219 96 T HN 0.540 nan 8.240 nan 0.000 0.506 97 Q N 0.754 120.694 119.800 0.232 0.000 2.061 97 Q HA -0.112 4.219 4.340 -0.014 0.000 0.204 97 Q C 0.421 176.559 176.000 0.231 0.000 0.984 97 Q CA 1.578 57.503 55.803 0.204 0.000 0.846 97 Q CB 0.056 28.852 28.738 0.096 0.000 0.902 97 Q HN 0.781 nan 8.270 nan 0.000 0.421 98 E N -0.309 119.938 120.200 0.079 0.000 2.212 98 E HA 0.047 4.388 4.350 -0.014 0.000 0.268 98 E C -0.175 176.090 176.600 -0.559 0.000 0.902 98 E CA -0.487 55.809 56.400 -0.174 0.000 0.779 98 E CB 1.267 30.873 29.700 -0.155 0.000 1.172 98 E HN 0.322 nan 8.360 nan 0.000 0.409 99 Q N 2.116 121.134 119.800 -1.303 0.000 2.077 99 Q HA -0.230 4.102 4.340 -0.014 0.000 0.206 99 Q C 2.059 177.647 176.000 -0.687 0.000 0.989 99 Q CA 1.915 56.672 55.803 -1.743 0.000 0.853 99 Q CB 0.034 27.885 28.738 -1.478 0.000 0.907 99 Q HN 0.583 nan 8.270 nan 0.000 0.418 100 R N -0.054 120.188 120.500 -0.430 0.000 2.200 100 R HA -0.149 4.182 4.340 -0.014 0.000 0.234 100 R C 1.087 177.307 176.300 -0.134 0.000 1.127 100 R CA 1.540 57.506 56.100 -0.224 0.000 0.989 100 R CB 0.053 30.251 30.300 -0.169 0.000 0.869 100 R HN 0.385 nan 8.270 nan 0.000 0.459 101 D N -1.087 119.237 120.400 -0.126 0.000 2.224 101 D HA -0.080 4.551 4.640 -0.014 0.000 0.205 101 D C 1.331 177.659 176.300 0.048 0.000 0.965 101 D CA 1.224 55.210 54.000 -0.022 0.000 0.852 101 D CB 0.118 40.913 40.800 -0.009 0.000 0.947 101 D HN 0.203 nan 8.370 nan 0.000 0.494 102 T N -0.303 114.260 114.554 0.015 0.000 2.983 102 T HA 0.098 4.440 4.350 -0.014 0.000 0.250 102 T C 0.865 175.598 174.700 0.055 0.000 1.037 102 T CA 0.372 62.535 62.100 0.105 0.000 1.142 102 T CB 0.637 69.648 68.868 0.237 0.000 0.876 102 T HN 0.027 nan 8.240 nan 0.000 0.455 103 V N -0.850 119.055 119.914 -0.015 0.000 2.925 103 V HA 0.647 4.759 4.120 -0.014 0.000 0.311 103 V C -3.282 172.769 176.094 -0.072 0.000 1.104 103 V CA -3.300 58.981 62.300 -0.032 0.000 0.954 103 V CB 1.950 33.773 31.823 -0.000 0.000 1.022 103 V HN -0.146 nan 8.190 nan 0.000 0.427 104 P HA 0.267 nan 4.420 nan 0.000 0.270 104 P C -0.531 176.718 177.300 -0.085 0.000 1.223 104 P CA -0.134 62.918 63.100 -0.080 0.000 0.785 104 P CB 0.300 31.954 31.700 -0.077 0.000 0.923 105 I N 3.633 124.149 120.570 -0.090 0.000 2.363 105 I HA 0.166 4.328 4.170 -0.014 0.000 0.292 105 I C -1.937 174.136 176.117 -0.074 0.000 1.075 105 I CA -2.918 58.330 61.300 -0.085 0.000 1.333 105 I CB -0.114 37.831 38.000 -0.090 0.000 1.415 105 I HN 0.159 nan 8.210 nan 0.000 0.502 106 P HA 0.194 nan 4.420 nan 0.000 0.275 106 P C 0.306 177.571 177.300 -0.058 0.000 1.227 106 P CA -0.415 62.642 63.100 -0.073 0.000 0.781 106 P CB 1.166 32.827 31.700 -0.065 0.000 0.906 107 K N 0.968 121.331 120.400 -0.062 0.000 2.217 107 K HA -0.058 4.254 4.320 -0.014 0.000 0.202 107 K C 1.845 178.424 176.600 -0.034 0.000 1.051 107 K CA 1.684 57.944 56.287 -0.046 0.000 0.952 107 K CB -0.180 32.292 32.500 -0.047 0.000 0.736 107 K HN 0.533 nan 8.250 nan 0.000 0.453 108 S N -0.990 114.689 115.700 -0.036 0.000 2.501 108 S HA 0.123 4.584 4.470 -0.014 0.000 0.220 108 S C 1.569 176.160 174.600 -0.014 0.000 0.997 108 S CA 0.492 58.679 58.200 -0.022 0.000 0.919 108 S CB 0.442 63.629 63.200 -0.021 0.000 0.778 108 S HN 0.426 nan 8.310 nan 0.000 0.523 109 G N 0.488 109.278 108.800 -0.017 0.000 2.254 109 G HA2 -0.202 3.749 3.960 -0.014 0.000 0.225 109 G HA3 -0.202 3.749 3.960 -0.014 0.000 0.225 109 G C -0.118 174.784 174.900 0.004 0.000 1.003 109 G CA -0.043 45.054 45.100 -0.005 0.000 0.622 109 G HN 0.564 nan 8.290 nan 0.000 0.507 110 Q N 1.003 120.803 119.800 0.001 0.000 2.357 110 Q HA 0.571 4.903 4.340 -0.014 0.000 0.266 110 Q C -0.502 175.498 176.000 -0.000 0.000 1.021 110 Q CA -0.178 55.631 55.803 0.010 0.000 0.784 110 Q CB 1.919 30.667 28.738 0.016 0.000 1.243 110 Q HN 0.217 nan 8.270 nan 0.000 0.465 111 S N 2.045 117.748 115.700 0.005 0.000 2.545 111 S HA 0.089 4.551 4.470 -0.014 0.000 0.275 111 S C 0.526 175.130 174.600 0.006 0.000 1.299 111 S CA -0.072 58.123 58.200 -0.007 0.000 1.048 111 S CB 0.572 63.775 63.200 0.004 0.000 0.938 111 S HN 0.593 nan 8.310 nan 0.000 0.496 112 Q N 3.680 123.479 119.800 -0.002 0.000 2.198 112 Q HA 0.300 4.631 4.340 -0.014 0.000 0.209 112 Q C 0.345 176.355 176.000 0.017 0.000 0.848 112 Q CA 0.070 55.886 55.803 0.022 0.000 0.974 112 Q CB 0.283 29.061 28.738 0.068 0.000 1.115 112 Q HN 0.657 nan 8.270 nan 0.000 0.494 113 L N -0.401 120.824 121.223 0.004 0.000 2.857 113 L HA 0.423 4.755 4.340 -0.014 0.000 0.249 113 L C 0.628 177.543 176.870 0.075 0.000 1.172 113 L CA -0.295 54.559 54.840 0.023 0.000 0.980 113 L CB 0.859 42.875 42.059 -0.072 0.000 1.299 113 L HN 0.197 nan 8.230 nan 0.000 0.535 114 G N 0.458 109.287 108.800 0.048 0.000 2.369 114 G HA2 0.154 4.105 3.960 -0.014 0.000 0.293 114 G HA3 0.154 4.105 3.960 -0.014 0.000 0.293 114 G C -1.732 173.214 174.900 0.077 0.000 1.301 114 G CA -0.930 44.206 45.100 0.060 0.000 0.913 114 G HN -0.002 nan 8.290 nan 0.000 0.540 115 R N -0.709 119.856 120.500 0.108 0.000 2.512 115 R HA 0.463 4.794 4.340 -0.014 0.000 0.291 115 R C -1.601 174.822 176.300 0.204 0.000 1.097 115 R CA -0.762 55.423 56.100 0.142 0.000 0.940 115 R CB 1.272 31.633 30.300 0.102 0.000 1.198 115 R HN 0.777 nan 8.270 nan 0.000 0.429 116 W N 6.529 127.853 121.300 0.041 0.000 2.449 116 W HA 0.525 5.176 4.660 -0.015 0.000 0.331 116 W C -1.184 175.369 176.519 0.057 0.000 1.119 116 W CA -0.833 56.538 57.345 0.043 0.000 1.240 116 W CB 1.294 30.773 29.460 0.032 0.000 1.251 116 W HN 0.480 nan 8.180 nan 0.000 0.576 117 M N 5.785 124.910 119.600 -0.792 0.000 2.327 117 M HA 0.302 4.773 4.480 -0.014 0.000 0.298 117 M C -0.111 175.344 176.300 -1.409 0.000 1.065 117 M CA -0.594 54.173 55.300 -0.887 0.000 0.916 117 M CB 1.649 34.066 32.600 -0.306 0.000 1.630 117 M HN 0.576 nan 8.290 nan 0.000 0.442 118 S N 2.639 117.517 115.700 -1.370 0.000 2.573 118 S HA 0.100 4.562 4.470 -0.014 0.000 0.277 118 S C 0.595 175.028 174.600 -0.279 0.000 1.346 118 S CA -0.010 57.733 58.200 -0.761 0.000 1.034 118 S CB 0.768 63.771 63.200 -0.329 0.000 0.879 118 S HN 0.888 nan 8.310 nan 0.000 0.528 119 E N 1.434 121.582 120.200 -0.087 0.000 2.097 119 E HA -0.219 4.122 4.350 -0.014 0.000 0.196 119 E C 1.903 178.524 176.600 0.036 0.000 1.000 119 E CA 1.977 58.382 56.400 0.008 0.000 0.804 119 E CB -0.193 29.528 29.700 0.035 0.000 0.740 119 E HN 0.813 nan 8.360 nan 0.000 0.454 120 E N 0.767 120.972 120.200 0.009 0.000 2.051 120 E HA -0.179 4.163 4.350 -0.014 0.000 0.192 120 E C 1.747 178.346 176.600 -0.002 0.000 0.991 120 E CA 1.342 57.748 56.400 0.010 0.000 0.799 120 E CB -0.087 29.622 29.700 0.016 0.000 0.748 120 E HN 0.191 nan 8.360 nan 0.000 0.449 121 D N -0.408 119.976 120.400 -0.025 0.000 2.144 121 D HA -0.135 4.497 4.640 -0.014 0.000 0.200 121 D C 1.629 177.939 176.300 0.016 0.000 0.978 121 D CA 0.634 54.620 54.000 -0.024 0.000 0.833 121 D CB -0.271 40.491 40.800 -0.064 0.000 0.961 121 D HN 0.109 nan 8.370 nan 0.000 0.470 122 F N 1.714 121.610 119.950 -0.090 0.000 2.146 122 F HA -0.133 4.385 4.527 -0.014 0.000 0.298 122 F C 2.228 178.041 175.800 0.021 0.000 1.096 122 F CA 1.159 59.135 58.000 -0.040 0.000 1.275 122 F CB -0.042 38.914 39.000 -0.073 0.000 1.008 122 F HN -0.225 nan 8.300 nan 0.000 0.480 123 E N 0.795 120.952 120.200 -0.072 0.000 2.070 123 E HA -0.228 4.114 4.350 -0.014 0.000 0.197 123 E C 2.168 178.702 176.600 -0.111 0.000 1.004 123 E CA 1.812 58.143 56.400 -0.116 0.000 0.805 123 E CB -0.231 29.456 29.700 -0.022 0.000 0.744 123 E HN 0.381 nan 8.360 nan 0.000 0.451 124 K N -0.432 119.918 120.400 -0.084 0.000 2.032 124 K HA -0.131 4.180 4.320 -0.014 0.000 0.209 124 K C 2.125 178.654 176.600 -0.119 0.000 1.048 124 K CA 1.305 57.547 56.287 -0.074 0.000 0.927 124 K CB -0.266 32.206 32.500 -0.047 0.000 0.712 124 K HN 0.166 nan 8.250 nan 0.000 0.441 125 A N 1.010 123.732 122.820 -0.163 0.000 1.877 125 A HA -0.199 4.113 4.320 -0.014 0.000 0.216 125 A C 2.027 179.451 177.584 -0.268 0.000 1.186 125 A CA 1.341 53.264 52.037 -0.190 0.000 0.620 125 A CB -0.767 18.154 19.000 -0.132 0.000 0.822 125 A HN 0.358 nan 8.150 nan 0.000 0.443 126 F N 1.660 121.251 119.950 -0.598 0.000 2.069 126 F HA -0.239 4.279 4.527 -0.014 0.000 0.298 126 F C 2.029 177.706 175.800 -0.205 0.000 1.113 126 F CA 2.247 59.964 58.000 -0.471 0.000 1.214 126 F CB -0.295 38.264 39.000 -0.735 0.000 0.978 126 F HN 0.228 nan 8.300 nan 0.000 0.474 127 N N 0.671 119.311 118.700 -0.099 0.000 2.272 127 N HA -0.137 4.595 4.740 -0.014 0.000 0.185 127 N C 1.775 177.168 175.510 -0.194 0.000 1.014 127 N CA 1.265 54.240 53.050 -0.125 0.000 0.870 127 N CB -0.740 37.732 38.487 -0.025 0.000 0.975 127 N HN 0.428 nan 8.380 nan 0.000 0.433 128 A N 0.237 122.929 122.820 -0.214 0.000 2.206 128 A HA 0.057 4.368 4.320 -0.014 0.000 0.211 128 A C 2.082 179.456 177.584 -0.350 0.000 1.158 128 A CA 0.709 52.614 52.037 -0.221 0.000 0.761 128 A CB 0.057 18.953 19.000 -0.172 0.000 0.801 128 A HN 0.201 nan 8.150 nan 0.000 0.473 129 R N -2.919 117.252 120.500 -0.548 0.000 2.342 129 R HA 0.303 4.634 4.340 -0.014 0.000 0.179 129 R C 1.389 177.131 176.300 -0.929 0.000 0.989 129 R CA 0.500 55.957 56.100 -1.072 0.000 1.125 129 R CB -0.181 29.019 30.300 -1.832 0.000 1.211 129 R HN 0.400 nan 8.270 nan 0.000 0.568 130 F N 1.750 121.237 119.950 -0.771 0.000 2.234 130 F HA 0.132 4.650 4.527 -0.014 0.000 0.296 130 F C -1.375 174.249 175.800 -0.294 0.000 1.089 130 F CA -0.374 57.325 58.000 -0.502 0.000 1.343 130 F CB -0.878 37.644 39.000 -0.797 0.000 1.040 130 F HN -0.203 nan 8.300 nan 0.000 0.498 131 P HA 0.048 nan 4.420 nan 0.000 0.258 131 P C 0.726 178.003 177.300 -0.040 0.000 1.172 131 P CA 1.585 64.645 63.100 -0.066 0.000 0.762 131 P CB 0.024 31.678 31.700 -0.076 0.000 0.764 132 G N 3.124 111.920 108.800 -0.007 0.000 2.166 132 G HA2 -0.401 3.550 3.960 -0.014 0.000 0.260 132 G HA3 -0.401 3.550 3.960 -0.014 0.000 0.260 132 G C 1.171 176.067 174.900 -0.006 0.000 0.986 132 G CA 0.348 45.447 45.100 -0.002 0.000 0.683 132 G HN 0.698 nan 8.290 nan 0.000 0.527 133 C N -1.341 117.961 119.300 0.003 0.000 2.419 133 C HA 0.415 4.867 4.460 -0.014 0.000 0.283 133 C C 2.332 177.301 174.990 -0.034 0.000 1.373 133 C CA 1.414 60.433 59.018 0.002 0.000 1.781 133 C CB -0.654 27.122 27.740 0.060 0.000 1.886 133 C HN 0.496 nan 8.230 nan 0.000 0.520 134 M N 0.355 119.943 119.600 -0.019 0.000 2.475 134 M HA 0.204 4.676 4.480 -0.014 0.000 0.261 134 M C 0.450 176.728 176.300 -0.037 0.000 1.177 134 M CA -0.172 55.106 55.300 -0.036 0.000 0.979 134 M CB -0.144 32.441 32.600 -0.027 0.000 1.482 134 M HN 0.129 nan 8.290 nan 0.000 0.484 135 K N 1.245 121.626 120.400 -0.031 0.000 2.491 135 K HA 0.099 4.411 4.320 -0.014 0.000 0.279 135 K C 1.161 177.731 176.600 -0.050 0.000 1.026 135 K CA 1.565 57.831 56.287 -0.035 0.000 1.070 135 K CB 0.036 32.519 32.500 -0.028 0.000 0.887 135 K HN 0.459 nan 8.250 nan 0.000 0.481 136 G N 3.212 111.969 108.800 -0.072 0.000 2.184 136 G HA2 -0.311 3.640 3.960 -0.014 0.000 0.264 136 G HA3 -0.311 3.640 3.960 -0.014 0.000 0.264 136 G C -0.108 174.749 174.900 -0.072 0.000 0.975 136 G CA 0.557 45.608 45.100 -0.082 0.000 0.642 136 G HN 0.611 nan 8.290 nan 0.000 0.536 137 R N -0.471 119.989 120.500 -0.067 0.000 2.892 137 R HA 0.622 4.954 4.340 -0.014 0.000 0.265 137 R C -0.497 175.771 176.300 -0.053 0.000 1.025 137 R CA -0.567 55.512 56.100 -0.035 0.000 0.982 137 R CB 1.032 31.318 30.300 -0.023 0.000 1.185 137 R HN 0.102 nan 8.270 nan 0.000 0.484 138 T N 2.254 116.776 114.554 -0.055 0.000 2.832 138 T HA 0.166 4.508 4.350 -0.014 0.000 0.296 138 T C 0.131 174.665 174.700 -0.278 0.000 0.968 138 T CA -0.151 61.833 62.100 -0.194 0.000 1.107 138 T CB 0.541 69.130 68.868 -0.465 0.000 0.916 138 T HN 0.322 nan 8.240 nan 0.000 0.517 139 M N 4.996 124.479 119.600 -0.196 0.000 2.108 139 M HA 0.325 4.796 4.480 -0.014 0.000 0.347 139 M C -1.486 174.718 176.300 -0.160 0.000 1.326 139 M CA -0.549 54.678 55.300 -0.121 0.000 1.126 139 M CB 0.075 32.627 32.600 -0.079 0.000 1.606 139 M HN 0.575 nan 8.290 nan 0.000 0.462 140 Y N 3.769 124.113 120.300 0.075 0.000 2.308 140 Y HA 0.414 4.955 4.550 -0.014 0.000 0.329 140 Y C -0.055 175.905 175.900 0.100 0.000 1.111 140 Y CA -0.646 57.512 58.100 0.097 0.000 1.179 140 Y CB 1.137 39.622 38.460 0.042 0.000 1.201 140 Y HN 0.348 nan 8.280 nan 0.000 0.483 141 V N 5.896 125.968 119.914 0.264 0.000 2.313 141 V HA 0.300 4.411 4.120 -0.014 0.000 0.278 141 V C -0.191 176.029 176.094 0.209 0.000 1.017 141 V CA -0.726 61.686 62.300 0.186 0.000 0.823 141 V CB 0.555 32.442 31.823 0.106 0.000 1.010 141 V HN 0.585 nan 8.190 nan 0.000 0.443 142 I N 7.722 128.430 120.570 0.231 0.000 2.337 142 I HA 0.342 4.504 4.170 -0.014 0.000 0.285 142 I C -2.478 173.823 176.117 0.305 0.000 1.041 142 I CA -1.886 59.557 61.300 0.239 0.000 1.199 142 I CB 1.709 39.833 38.000 0.206 0.000 1.370 142 I HN 0.403 nan 8.210 nan 0.000 0.470 143 P HA 0.258 nan 4.420 nan 0.000 0.287 143 P C -0.999 176.407 177.300 0.177 0.000 1.307 143 P CA -0.177 62.987 63.100 0.107 0.000 0.777 143 P CB 0.213 31.923 31.700 0.016 0.000 0.883 144 F N 0.170 120.147 119.950 0.047 0.000 2.565 144 F HA 0.769 5.288 4.527 -0.013 0.000 0.313 144 F C -0.468 175.356 175.800 0.040 0.000 1.091 144 F CA -1.429 56.587 58.000 0.026 0.000 0.915 144 F CB 1.508 40.518 39.000 0.016 0.000 1.208 144 F HN 0.135 nan 8.300 nan 0.000 0.453 145 S N 4.136 119.885 115.700 0.081 0.000 2.451 145 S HA 0.625 5.087 4.470 -0.014 0.000 0.301 145 S C -0.575 174.031 174.600 0.010 0.000 1.116 145 S CA -0.805 57.392 58.200 -0.005 0.000 1.093 145 S CB 0.544 63.730 63.200 -0.023 0.000 1.017 145 S HN 0.620 nan 8.310 nan 0.000 0.482 146 M N 4.426 123.975 119.600 -0.085 0.000 2.069 146 M HA 0.481 4.953 4.480 -0.014 0.000 0.349 146 M C 0.710 176.807 176.300 -0.338 0.000 1.194 146 M CA 0.125 55.253 55.300 -0.285 0.000 1.081 146 M CB -0.351 31.912 32.600 -0.563 0.000 1.500 146 M HN 1.045 nan 8.290 nan 0.000 0.438 147 G N 5.607 114.218 108.800 -0.315 0.000 2.570 147 G HA2 -0.026 3.926 3.960 -0.014 0.000 0.686 147 G HA3 -0.026 3.926 3.960 -0.014 0.000 0.686 147 G C -3.345 171.442 174.900 -0.188 0.000 1.257 147 G CA -1.434 43.509 45.100 -0.261 0.000 0.846 147 G HN 0.380 nan 8.290 nan 0.000 0.627 148 P HA 0.192 nan 4.420 nan 0.000 0.264 148 P C 1.595 178.810 177.300 -0.142 0.000 1.183 148 P CA -0.175 62.795 63.100 -0.216 0.000 0.763 148 P CB 0.427 31.983 31.700 -0.241 0.000 0.807 149 L N 2.885 124.033 121.223 -0.125 0.000 2.021 149 L HA -0.213 4.119 4.340 -0.014 0.000 0.215 149 L C 2.254 179.082 176.870 -0.070 0.000 1.074 149 L CA 2.347 57.138 54.840 -0.083 0.000 0.760 149 L CB -0.940 41.075 42.059 -0.073 0.000 0.889 149 L HN 0.570 nan 8.230 nan 0.000 0.433 150 G N -1.903 106.848 108.800 -0.081 0.000 3.088 150 G HA2 -0.038 3.914 3.960 -0.014 0.000 0.212 150 G HA3 -0.038 3.914 3.960 -0.014 0.000 0.212 150 G C 0.532 175.390 174.900 -0.071 0.000 1.173 150 G CA 0.034 45.093 45.100 -0.068 0.000 0.779 150 G HN 0.208 nan 8.290 nan 0.000 0.540 151 S N 1.226 116.878 115.700 -0.080 0.000 2.528 151 S HA 0.319 4.780 4.470 -0.014 0.000 0.277 151 S C -0.540 174.022 174.600 -0.064 0.000 1.297 151 S CA -1.238 56.914 58.200 -0.079 0.000 1.052 151 S CB 1.515 64.660 63.200 -0.090 0.000 0.917 151 S HN 0.077 nan 8.310 nan 0.000 0.492 152 P HA -0.013 nan 4.420 nan 0.000 0.230 152 P C 0.859 178.093 177.300 -0.110 0.000 1.158 152 P CA 0.772 63.826 63.100 -0.077 0.000 0.769 152 P CB 0.072 31.726 31.700 -0.077 0.000 0.807 153 L N -1.490 119.669 121.223 -0.107 0.000 2.529 153 L HA 0.220 4.552 4.340 -0.014 0.000 0.223 153 L C 1.378 178.266 176.870 0.029 0.000 1.113 153 L CA -0.271 54.484 54.840 -0.142 0.000 0.861 153 L CB -0.379 41.614 42.059 -0.110 0.000 1.012 153 L HN -0.145 nan 8.230 nan 0.000 0.461 154 A N 0.629 123.478 122.820 0.049 0.000 2.351 154 A HA 0.451 4.763 4.320 -0.014 0.000 0.257 154 A C -0.035 177.677 177.584 0.213 0.000 1.087 154 A CA -0.012 52.108 52.037 0.137 0.000 0.798 154 A CB 0.383 19.389 19.000 0.009 0.000 1.033 154 A HN 0.042 nan 8.150 nan 0.000 0.488 155 K N 1.147 121.763 120.400 0.359 0.000 2.426 155 K HA 0.568 4.880 4.320 -0.014 0.000 0.251 155 K C -1.321 175.460 176.600 0.303 0.000 0.941 155 K CA -0.325 56.188 56.287 0.377 0.000 0.808 155 K CB 2.236 35.116 32.500 0.633 0.000 1.265 155 K HN 0.643 nan 8.250 nan 0.000 0.432 156 I N 0.731 121.445 120.570 0.240 0.000 2.525 156 I HA 0.468 4.630 4.170 -0.014 0.000 0.301 156 I C 0.512 176.683 176.117 0.089 0.000 0.992 156 I CA -0.534 60.808 61.300 0.071 0.000 1.162 156 I CB 2.082 40.091 38.000 0.016 0.000 1.332 156 I HN 0.669 nan 8.210 nan 0.000 0.458 157 G N 5.737 114.322 108.800 -0.359 0.000 2.605 157 G HA2 0.709 4.661 3.960 -0.014 0.000 0.296 157 G HA3 0.709 4.661 3.960 -0.014 0.000 0.296 157 G C -1.225 173.389 174.900 -0.476 0.000 1.304 157 G CA -0.429 44.434 45.100 -0.395 0.000 0.941 157 G HN 0.307 nan 8.290 nan 0.000 0.475 158 I N 0.794 121.371 120.570 0.010 0.000 2.418 158 I HA 0.359 4.521 4.170 -0.014 0.000 0.287 158 I C -0.427 176.024 176.117 0.557 0.000 1.008 158 I CA -0.603 60.821 61.300 0.207 0.000 1.104 158 I CB 1.643 39.702 38.000 0.098 0.000 1.264 158 I HN 0.660 nan 8.210 nan 0.000 0.438 159 E N 7.369 127.947 120.200 0.630 0.000 2.133 159 E HA 0.557 4.899 4.350 -0.014 0.000 0.274 159 E C -1.486 175.330 176.600 0.361 0.000 0.930 159 E CA -0.604 56.108 56.400 0.520 0.000 0.770 159 E CB 1.390 31.324 29.700 0.391 0.000 1.104 159 E HN 0.504 nan 8.360 nan 0.000 0.403 160 L N 3.780 125.196 121.223 0.322 0.000 2.289 160 L HA 0.537 4.868 4.340 -0.014 0.000 0.285 160 L C 0.176 177.191 176.870 0.242 0.000 1.049 160 L CA -0.565 54.389 54.840 0.190 0.000 0.804 160 L CB 1.732 43.796 42.059 0.008 0.000 1.195 160 L HN 0.519 nan 8.230 nan 0.000 0.428 161 T N -0.557 114.143 114.554 0.243 0.000 2.889 161 T HA 0.256 4.597 4.350 -0.014 0.000 0.315 161 T C -0.520 174.343 174.700 0.272 0.000 1.291 161 T CA -0.611 61.663 62.100 0.289 0.000 1.028 161 T CB 1.521 70.593 68.868 0.340 0.000 1.235 161 T HN 0.745 nan 8.240 nan 0.000 0.491 162 D N 1.252 121.760 120.400 0.179 0.000 2.342 162 D HA 0.211 4.843 4.640 -0.014 0.000 0.221 162 D C 0.438 176.852 176.300 0.190 0.000 1.101 162 D CA -0.156 53.937 54.000 0.156 0.000 0.837 162 D CB 0.278 41.082 40.800 0.007 0.000 0.938 162 D HN 0.250 nan 8.370 nan 0.000 0.508 163 S N 0.683 116.497 115.700 0.189 0.000 2.498 163 S HA 0.404 4.866 4.470 -0.014 0.000 0.324 163 S C -1.958 172.613 174.600 -0.049 0.000 1.071 163 S CA -1.517 56.726 58.200 0.071 0.000 1.113 163 S CB 1.595 64.839 63.200 0.073 0.000 0.976 163 S HN -0.252 nan 8.310 nan 0.000 0.462 164 P HA -0.084 nan 4.420 nan 0.000 0.220 164 P C 0.932 178.117 177.300 -0.192 0.000 1.148 164 P CA 0.727 63.614 63.100 -0.356 0.000 0.803 164 P CB -0.097 31.494 31.700 -0.183 0.000 0.782 165 Y N 0.427 120.617 120.300 -0.183 0.000 2.181 165 Y HA -0.212 4.329 4.550 -0.014 0.000 0.288 165 Y C 2.068 177.898 175.900 -0.117 0.000 1.146 165 Y CA 1.374 59.407 58.100 -0.112 0.000 1.164 165 Y CB -0.934 37.481 38.460 -0.074 0.000 0.982 165 Y HN -0.285 nan 8.280 nan 0.000 0.515 166 V N -0.648 119.238 119.914 -0.047 0.000 2.295 166 V HA -0.333 3.779 4.120 -0.014 0.000 0.246 166 V C 2.353 178.305 176.094 -0.236 0.000 1.049 166 V CA 1.775 63.977 62.300 -0.163 0.000 1.024 166 V CB -0.851 30.917 31.823 -0.091 0.000 0.648 166 V HN 0.390 nan 8.190 nan 0.000 0.447 167 V N 0.434 120.206 119.914 -0.236 0.000 2.255 167 V HA -0.317 3.795 4.120 -0.014 0.000 0.247 167 V C 2.722 178.696 176.094 -0.199 0.000 1.051 167 V CA 2.269 64.424 62.300 -0.241 0.000 1.018 167 V CB -1.376 30.203 31.823 -0.406 0.000 0.641 167 V HN 0.569 nan 8.190 nan 0.000 0.445 168 A N -0.191 122.516 122.820 -0.187 0.000 1.883 168 A HA -0.232 4.079 4.320 -0.014 0.000 0.217 168 A C 2.479 179.977 177.584 -0.144 0.000 1.186 168 A CA 2.486 54.498 52.037 -0.042 0.000 0.624 168 A CB -0.852 18.108 19.000 -0.067 0.000 0.822 168 A HN 0.523 nan 8.150 nan 0.000 0.444 169 S N -0.557 114.953 115.700 -0.316 0.000 2.383 169 S HA -0.107 4.355 4.470 -0.014 0.000 0.227 169 S C 1.979 176.397 174.600 -0.304 0.000 1.026 169 S CA 1.517 59.508 58.200 -0.349 0.000 0.981 169 S CB -0.287 62.586 63.200 -0.545 0.000 0.818 169 S HN 0.456 nan 8.310 nan 0.000 0.472 170 M N 1.049 120.466 119.600 -0.304 0.000 2.229 170 M HA 0.016 4.487 4.480 -0.014 0.000 0.264 170 M C 2.176 178.331 176.300 -0.242 0.000 1.063 170 M CA 1.077 56.194 55.300 -0.304 0.000 1.114 170 M CB -1.029 31.384 32.600 -0.311 0.000 1.387 170 M HN 0.284 nan 8.290 nan 0.000 0.420 171 R N 0.547 120.909 120.500 -0.231 0.000 2.091 171 R HA -0.134 4.198 4.340 -0.014 0.000 0.238 171 R C 2.007 178.153 176.300 -0.257 0.000 1.136 171 R CA 1.439 57.387 56.100 -0.253 0.000 0.959 171 R CB -0.195 29.873 30.300 -0.387 0.000 0.856 171 R HN 0.312 nan 8.270 nan 0.000 0.437 172 I N 0.096 120.514 120.570 -0.254 0.000 2.233 172 I HA -0.239 3.923 4.170 -0.014 0.000 0.243 172 I C 2.053 178.070 176.117 -0.167 0.000 1.093 172 I CA 0.883 62.066 61.300 -0.195 0.000 1.380 172 I CB -0.080 37.838 38.000 -0.137 0.000 1.067 172 I HN 0.197 nan 8.210 nan 0.000 0.413 173 M N 0.069 119.556 119.600 -0.189 0.000 2.506 173 M HA 0.073 4.545 4.480 -0.014 0.000 0.260 173 M C 0.988 177.182 176.300 -0.177 0.000 1.104 173 M CA 0.746 55.932 55.300 -0.189 0.000 1.112 173 M CB -1.080 31.375 32.600 -0.241 0.000 1.401 173 M HN 0.337 nan 8.290 nan 0.000 0.473 174 T N -1.707 112.750 114.554 -0.162 0.000 2.887 174 T HA 0.658 5.000 4.350 -0.014 0.000 0.292 174 T C -0.439 174.229 174.700 -0.052 0.000 1.087 174 T CA -0.992 61.051 62.100 -0.094 0.000 1.009 174 T CB 2.098 70.925 68.868 -0.068 0.000 1.203 174 T HN -0.022 nan 8.240 nan 0.000 0.518 175 R N 1.075 121.568 120.500 -0.011 0.000 2.248 175 R HA 0.609 4.941 4.340 -0.014 0.000 0.328 175 R C -0.019 176.304 176.300 0.039 0.000 1.067 175 R CA -0.322 55.770 56.100 -0.013 0.000 0.924 175 R CB 0.331 30.611 30.300 -0.034 0.000 1.013 175 R HN 0.812 nan 8.270 nan 0.000 0.454 176 M N 0.860 120.468 119.600 0.015 0.000 2.572 176 M HA 0.867 5.339 4.480 -0.014 0.000 0.299 176 M C -0.004 176.312 176.300 0.027 0.000 1.205 176 M CA -0.107 55.226 55.300 0.054 0.000 0.876 176 M CB 2.479 35.118 32.600 0.065 0.000 1.728 176 M HN 0.536 nan 8.290 nan 0.000 0.458 177 G N 0.560 109.388 108.800 0.047 0.000 2.318 177 G HA2 -0.020 3.932 3.960 -0.014 0.000 0.367 177 G HA3 -0.020 3.932 3.960 -0.014 0.000 0.367 177 G C 0.005 174.918 174.900 0.021 0.000 1.260 177 G CA -0.194 44.928 45.100 0.035 0.000 1.055 177 G HN 0.928 nan 8.290 nan 0.000 0.484 178 T N 0.980 115.542 114.554 0.014 0.000 2.720 178 T HA -0.144 4.198 4.350 -0.014 0.000 0.268 178 T C 2.898 177.595 174.700 -0.005 0.000 1.037 178 T CA 3.358 65.460 62.100 0.003 0.000 1.144 178 T CB -0.620 68.249 68.868 0.002 0.000 0.864 178 T HN 1.569 nan 8.240 nan 0.000 0.444 179 S N 1.272 116.969 115.700 -0.006 0.000 2.399 179 S HA -0.095 4.366 4.470 -0.014 0.000 0.231 179 S C 2.134 176.725 174.600 -0.016 0.000 1.022 179 S CA 1.004 59.196 58.200 -0.013 0.000 0.983 179 S CB -0.895 62.295 63.200 -0.017 0.000 0.803 179 S HN 0.341 nan 8.310 nan 0.000 0.480 180 V N 2.030 121.936 119.914 -0.013 0.000 2.358 180 V HA -0.082 4.029 4.120 -0.014 0.000 0.246 180 V C 2.577 178.652 176.094 -0.033 0.000 1.047 180 V CA 1.654 63.942 62.300 -0.020 0.000 1.035 180 V CB -0.891 30.928 31.823 -0.008 0.000 0.658 180 V HN 0.442 nan 8.190 nan 0.000 0.452 181 L N -0.197 121.006 121.223 -0.033 0.000 2.042 181 L HA -0.220 4.112 4.340 -0.014 0.000 0.210 181 L C 2.669 179.521 176.870 -0.031 0.000 1.076 181 L CA 1.790 56.603 54.840 -0.044 0.000 0.749 181 L CB -0.551 41.486 42.059 -0.036 0.000 0.893 181 L HN 0.420 nan 8.230 nan 0.000 0.432 182 E N -0.210 119.977 120.200 -0.021 0.000 2.110 182 E HA -0.213 4.129 4.350 -0.014 0.000 0.193 182 E C 2.238 178.829 176.600 -0.015 0.000 0.988 182 E CA 1.135 57.526 56.400 -0.015 0.000 0.804 182 E CB -0.150 29.542 29.700 -0.013 0.000 0.745 182 E HN 0.523 nan 8.360 nan 0.000 0.458 183 A N 1.215 124.024 122.820 -0.018 0.000 1.897 183 A HA -0.115 4.196 4.320 -0.014 0.000 0.215 183 A C 2.150 179.729 177.584 -0.009 0.000 1.181 183 A CA 0.725 52.752 52.037 -0.016 0.000 0.620 183 A CB -0.445 18.542 19.000 -0.020 0.000 0.821 183 A HN 0.207 nan 8.150 nan 0.000 0.443 184 L N -0.417 120.798 121.223 -0.013 0.000 1.989 184 L HA 0.098 4.430 4.340 -0.014 0.000 0.211 184 L C 1.745 178.624 176.870 0.015 0.000 1.071 184 L CA 2.153 56.994 54.840 0.000 0.000 0.749 184 L CB -1.271 40.770 42.059 -0.030 0.000 0.890 184 L HN 0.788 nan 8.230 nan 0.000 0.431 185 G N -0.852 107.950 108.800 0.004 0.000 2.596 185 G HA2 -0.396 3.556 3.960 -0.014 0.000 0.295 185 G HA3 -0.396 3.556 3.960 -0.014 0.000 0.295 185 G C 0.390 175.311 174.900 0.036 0.000 1.240 185 G CA 0.433 45.541 45.100 0.014 0.000 0.985 185 G HN 0.417 nan 8.290 nan 0.000 0.555 186 D N 2.321 122.746 120.400 0.041 0.000 2.434 186 D HA 0.380 5.012 4.640 -0.014 0.000 0.232 186 D C 1.246 177.586 176.300 0.068 0.000 1.166 186 D CA 0.921 54.956 54.000 0.059 0.000 0.830 186 D CB -0.343 40.482 40.800 0.041 0.000 0.960 186 D HN 0.689 nan 8.370 nan 0.000 0.497 187 G N 0.092 108.937 108.800 0.076 0.000 2.562 187 G HA2 0.201 4.153 3.960 -0.014 0.000 0.275 187 G HA3 0.201 4.153 3.960 -0.014 0.000 0.275 187 G C 0.204 175.173 174.900 0.116 0.000 1.196 187 G CA -0.539 44.604 45.100 0.071 0.000 0.908 187 G HN -0.009 nan 8.290 nan 0.000 0.524 188 E N -0.720 119.509 120.200 0.048 0.000 2.398 188 E HA 0.359 4.701 4.350 -0.014 0.000 0.263 188 E C -0.827 175.814 176.600 0.068 0.000 1.046 188 E CA 0.399 56.783 56.400 -0.027 0.000 0.908 188 E CB 0.940 30.589 29.700 -0.085 0.000 0.963 188 E HN 0.388 nan 8.360 nan 0.000 0.431 189 F N -0.803 119.082 119.950 -0.108 0.000 2.631 189 F HA 0.453 4.971 4.527 -0.014 0.000 0.308 189 F C -0.942 174.720 175.800 -0.229 0.000 1.097 189 F CA -1.523 56.393 58.000 -0.140 0.000 0.952 189 F CB 0.657 39.577 39.000 -0.135 0.000 1.307 189 F HN 0.106 nan 8.300 nan 0.000 0.450 190 I N 2.711 123.192 120.570 -0.147 0.000 2.471 190 I HA 0.166 4.327 4.170 -0.014 0.000 0.286 190 I C 0.026 176.039 176.117 -0.173 0.000 1.079 190 I CA -0.364 60.732 61.300 -0.340 0.000 1.398 190 I CB 0.868 38.420 38.000 -0.746 0.000 1.403 190 I HN 0.665 nan 8.210 nan 0.000 0.530 191 K N 5.583 125.771 120.400 -0.353 0.000 2.316 191 K HA 0.327 4.639 4.320 -0.014 0.000 0.289 191 K C -0.940 175.633 176.600 -0.045 0.000 1.070 191 K CA -0.210 55.783 56.287 -0.490 0.000 0.928 191 K CB 0.576 32.562 32.500 -0.857 0.000 1.039 191 K HN 0.552 nan 8.250 nan 0.000 0.480 192 C N 4.644 124.119 119.300 0.291 0.000 2.316 192 C HA 0.394 4.846 4.460 -0.014 0.000 0.324 192 C C -0.737 174.566 174.990 0.522 0.000 1.226 192 C CA -1.076 58.180 59.018 0.397 0.000 1.450 192 C CB -0.289 27.724 27.740 0.455 0.000 2.123 192 C HN 0.666 nan 8.230 nan 0.000 0.454 193 L N 4.883 126.361 121.223 0.425 0.000 2.313 193 L HA 0.606 4.937 4.340 -0.014 0.000 0.283 193 L C -0.442 176.697 176.870 0.449 0.000 1.013 193 L CA 0.259 55.332 54.840 0.389 0.000 0.816 193 L CB 0.496 42.723 42.059 0.279 0.000 1.236 193 L HN 0.811 nan 8.230 nan 0.000 0.419 194 H N 3.455 122.718 119.070 0.322 0.000 2.679 194 H HA 0.615 5.162 4.556 -0.014 0.000 0.360 194 H C -1.840 173.634 175.328 0.243 0.000 1.105 194 H CA -0.407 55.819 56.048 0.296 0.000 1.196 194 H CB 2.056 31.928 29.762 0.185 0.000 1.636 194 H HN 0.657 nan 8.280 nan 0.000 0.531 195 S N 3.327 118.721 115.700 -0.510 0.000 2.541 195 S HA 0.206 4.667 4.470 -0.014 0.000 0.280 195 S C 1.091 175.112 174.600 -0.965 0.000 1.112 195 S CA -0.250 57.568 58.200 -0.636 0.000 0.925 195 S CB 1.223 64.218 63.200 -0.341 0.000 1.067 195 S HN 0.563 nan 8.310 nan 0.000 0.479 196 V N 2.152 121.639 119.914 -0.712 0.000 2.913 196 V HA 0.298 4.409 4.120 -0.014 0.000 0.260 196 V C 1.478 177.166 176.094 -0.678 0.000 1.098 196 V CA 1.182 63.154 62.300 -0.547 0.000 1.121 196 V CB -1.523 30.084 31.823 -0.359 0.000 0.714 196 V HN 1.856 nan 8.190 nan 0.000 0.487 197 G N -0.582 107.698 108.800 -0.866 0.000 2.198 197 G HA2 -0.240 3.711 3.960 -0.014 0.000 0.257 197 G HA3 -0.240 3.711 3.960 -0.014 0.000 0.257 197 G C -0.030 174.646 174.900 -0.374 0.000 1.042 197 G CA 0.017 44.524 45.100 -0.987 0.000 0.791 197 G HN 0.870 nan 8.290 nan 0.000 0.502 198 C N 1.928 121.069 119.300 -0.266 0.000 3.335 198 C HA 0.426 4.878 4.460 -0.014 0.000 0.217 198 C C -1.406 173.521 174.990 -0.105 0.000 1.330 198 C CA -1.581 57.349 59.018 -0.147 0.000 1.470 198 C CB 0.542 28.200 27.740 -0.138 0.000 1.806 198 C HN 0.508 nan 8.230 nan 0.000 0.468 199 P HA 0.114 nan 4.420 nan 0.000 0.267 199 P C -0.609 176.664 177.300 -0.045 0.000 1.200 199 P CA 0.562 63.629 63.100 -0.055 0.000 0.772 199 P CB 0.921 32.599 31.700 -0.037 0.000 0.855 200 L N 4.084 125.283 121.223 -0.040 0.000 2.334 200 L HA 0.401 4.733 4.340 -0.014 0.000 0.277 200 L C -1.668 175.185 176.870 -0.028 0.000 1.075 200 L CA -2.216 52.605 54.840 -0.032 0.000 0.804 200 L CB 0.741 42.782 42.059 -0.029 0.000 1.174 200 L HN 0.255 nan 8.230 nan 0.000 0.438 201 P HA 0.181 nan 4.420 nan 0.000 0.275 201 P C -0.646 176.643 177.300 -0.019 0.000 1.228 201 P CA -0.466 62.623 63.100 -0.018 0.000 0.786 201 P CB 0.787 32.479 31.700 -0.014 0.000 0.927 202 L N 2.836 124.048 121.223 -0.018 0.000 2.513 202 L HA 0.028 4.359 4.340 -0.014 0.000 0.272 202 L C 1.722 178.584 176.870 -0.014 0.000 1.187 202 L CA 0.310 55.138 54.840 -0.020 0.000 0.895 202 L CB -0.107 41.941 42.059 -0.017 0.000 1.147 202 L HN 0.404 nan 8.230 nan 0.000 0.483 203 K N 2.070 122.462 120.400 -0.015 0.000 2.314 203 K HA 0.100 4.412 4.320 -0.014 0.000 0.198 203 K C 0.149 176.745 176.600 -0.006 0.000 1.045 203 K CA 0.752 57.034 56.287 -0.010 0.000 0.988 203 K CB 0.293 32.788 32.500 -0.009 0.000 0.783 203 K HN 0.462 nan 8.250 nan 0.000 0.484 204 K N 0.671 121.068 120.400 -0.006 0.000 2.395 204 K HA 0.339 4.650 4.320 -0.014 0.000 0.247 204 K C -2.754 173.846 176.600 0.001 0.000 0.973 204 K CA -2.267 54.019 56.287 -0.001 0.000 0.828 204 K CB 1.579 34.081 32.500 0.002 0.000 1.272 204 K HN -0.273 nan 8.250 nan 0.000 0.439 205 P HA -0.011 nan 4.420 nan 0.000 0.265 205 P C -1.102 176.208 177.300 0.016 0.000 1.193 205 P CA -0.415 62.691 63.100 0.010 0.000 0.765 205 P CB 0.340 32.047 31.700 0.012 0.000 0.823 206 L N 5.337 126.570 121.223 0.017 0.000 2.278 206 L HA 0.205 4.536 4.340 -0.014 0.000 0.287 206 L C -0.706 176.190 176.870 0.044 0.000 1.072 206 L CA -0.123 54.733 54.840 0.027 0.000 0.819 206 L CB 0.472 42.541 42.059 0.017 0.000 1.176 206 L HN 0.065 nan 8.230 nan 0.000 0.435 207 V N 6.294 126.249 119.914 0.068 0.000 2.383 207 V HA 0.305 4.416 4.120 -0.014 0.000 0.275 207 V C 0.663 176.821 176.094 0.106 0.000 1.036 207 V CA -0.522 61.819 62.300 0.069 0.000 0.889 207 V CB 0.755 32.614 31.823 0.060 0.000 0.985 207 V HN 0.962 nan 8.190 nan 0.000 0.459 208 N N 4.416 123.161 118.700 0.074 0.000 2.735 208 N HA -0.208 4.523 4.740 -0.014 0.000 0.248 208 N C 0.262 175.863 175.510 0.150 0.000 1.083 208 N CA 0.492 53.594 53.050 0.087 0.000 0.703 208 N CB -0.862 37.658 38.487 0.056 0.000 1.005 208 N HN 0.871 nan 8.380 nan 0.000 0.550 209 N N -1.516 117.257 118.700 0.122 0.000 2.710 209 N HA -0.224 4.507 4.740 -0.014 0.000 0.249 209 N C -1.166 174.454 175.510 0.184 0.000 1.059 209 N CA 1.306 54.425 53.050 0.115 0.000 0.720 209 N CB -0.762 37.779 38.487 0.090 0.000 0.983 209 N HN 0.596 nan 8.380 nan 0.000 0.544 210 W N 0.839 122.131 121.300 -0.013 0.000 2.466 210 W HA 0.550 5.203 4.660 -0.011 0.000 0.303 210 W C -0.547 175.958 176.519 -0.023 0.000 0.999 210 W CA -0.790 56.541 57.345 -0.023 0.000 1.437 210 W CB 0.693 30.144 29.460 -0.015 0.000 1.274 210 W HN 0.096 nan 8.180 nan 0.000 0.417 211 A N 4.944 127.569 122.820 -0.325 0.000 2.488 211 A HA 0.522 4.833 4.320 -0.014 0.000 0.249 211 A C 0.012 177.398 177.584 -0.329 0.000 1.083 211 A CA 0.672 52.550 52.037 -0.264 0.000 0.768 211 A CB -0.257 18.595 19.000 -0.247 0.000 1.017 211 A HN 0.926 nan 8.150 nan 0.000 0.496 212 C N 0.425 119.640 119.300 -0.142 0.000 3.275 212 C HA 0.736 5.188 4.460 -0.014 0.000 0.340 212 C C -0.772 174.175 174.990 -0.072 0.000 1.366 212 C CA -1.008 57.959 59.018 -0.085 0.000 1.227 212 C CB 0.776 28.586 27.740 0.116 0.000 1.512 212 C HN 0.922 nan 8.230 nan 0.000 0.461 213 N N 0.805 119.456 118.700 -0.081 0.000 2.707 213 N HA 0.422 5.153 4.740 -0.014 0.000 0.249 213 N C -2.263 173.263 175.510 0.026 0.000 1.299 213 N CA -1.242 51.781 53.050 -0.044 0.000 0.769 213 N CB 1.470 39.891 38.487 -0.110 0.000 1.236 213 N HN 0.529 nan 8.380 nan 0.000 0.524 214 P HA -0.125 nan 4.420 nan 0.000 0.215 214 P C 0.584 177.929 177.300 0.075 0.000 1.153 214 P CA 1.217 64.359 63.100 0.070 0.000 0.853 214 P CB 0.358 32.097 31.700 0.065 0.000 0.788 215 E N -0.717 119.522 120.200 0.066 0.000 2.153 215 E HA -0.097 4.244 4.350 -0.014 0.000 0.194 215 E C 1.589 178.238 176.600 0.083 0.000 0.988 215 E CA 0.934 57.373 56.400 0.064 0.000 0.811 215 E CB -0.734 28.995 29.700 0.049 0.000 0.746 215 E HN 0.256 nan 8.360 nan 0.000 0.466 216 L N 0.422 121.716 121.223 0.118 0.000 2.667 216 L HA 0.149 4.481 4.340 -0.014 0.000 0.232 216 L C 0.200 177.222 176.870 0.252 0.000 1.138 216 L CA -0.221 54.721 54.840 0.169 0.000 0.921 216 L CB 0.172 42.374 42.059 0.239 0.000 1.180 216 L HN -0.071 nan 8.230 nan 0.000 0.487 217 T N 2.222 116.892 114.554 0.193 0.000 2.871 217 T HA 0.219 4.561 4.350 -0.014 0.000 0.296 217 T C -0.396 174.435 174.700 0.218 0.000 0.998 217 T CA 0.665 62.887 62.100 0.202 0.000 1.162 217 T CB 0.600 69.558 68.868 0.149 0.000 0.947 217 T HN -0.006 nan 8.240 nan 0.000 0.536 218 L N 5.174 126.563 121.223 0.275 0.000 2.588 218 L HA 0.544 4.876 4.340 -0.014 0.000 0.263 218 L C -1.799 175.261 176.870 0.317 0.000 0.935 218 L CA -0.399 54.608 54.840 0.277 0.000 0.891 218 L CB 1.554 43.785 42.059 0.287 0.000 1.318 218 L HN 0.514 nan 8.230 nan 0.000 0.409 219 I N 5.152 125.878 120.570 0.259 0.000 2.405 219 I HA 0.762 4.924 4.170 -0.014 0.000 0.280 219 I C 0.148 176.335 176.117 0.118 0.000 1.027 219 I CA -0.075 61.350 61.300 0.210 0.000 1.161 219 I CB 1.562 39.697 38.000 0.225 0.000 1.300 219 I HN 0.670 nan 8.210 nan 0.000 0.463 220 A N 4.853 127.675 122.820 0.004 0.000 2.325 220 A HA 0.871 5.182 4.320 -0.014 0.000 0.333 220 A C -1.036 176.289 177.584 -0.432 0.000 1.155 220 A CA -0.486 51.470 52.037 -0.135 0.000 0.814 220 A CB 0.478 19.326 19.000 -0.252 0.000 1.206 220 A HN 0.685 nan 8.150 nan 0.000 0.482 221 H N 0.489 119.478 119.070 -0.135 0.000 2.689 221 H HA 0.541 5.089 4.556 -0.014 0.000 0.346 221 H C -1.376 173.850 175.328 -0.171 0.000 1.037 221 H CA -0.379 55.614 56.048 -0.092 0.000 1.234 221 H CB 1.343 31.108 29.762 0.004 0.000 1.572 221 H HN 0.386 nan 8.280 nan 0.000 0.524 222 L N 5.507 126.672 121.223 -0.096 0.000 2.502 222 L HA 0.293 4.624 4.340 -0.014 0.000 0.247 222 L C -1.689 175.134 176.870 -0.077 0.000 1.180 222 L CA -1.233 53.528 54.840 -0.132 0.000 0.956 222 L CB 1.212 43.137 42.059 -0.223 0.000 1.282 222 L HN 0.525 nan 8.230 nan 0.000 0.470 223 P HA -0.155 nan 4.420 nan 0.000 0.218 223 P C 0.512 177.770 177.300 -0.069 0.000 1.149 223 P CA 1.282 64.360 63.100 -0.037 0.000 0.817 223 P CB 0.446 32.146 31.700 -0.000 0.000 0.785 224 D N -0.428 119.936 120.400 -0.060 0.000 2.317 224 D HA -0.036 4.595 4.640 -0.014 0.000 0.211 224 D C 1.794 178.039 176.300 -0.091 0.000 0.966 224 D CA 0.672 54.631 54.000 -0.068 0.000 0.876 224 D CB -0.011 40.763 40.800 -0.044 0.000 0.927 224 D HN 0.273 nan 8.370 nan 0.000 0.519 225 R N 0.166 120.601 120.500 -0.107 0.000 2.334 225 R HA 0.161 4.492 4.340 -0.014 0.000 0.216 225 R C 0.086 176.280 176.300 -0.178 0.000 0.905 225 R CA -0.255 55.764 56.100 -0.134 0.000 1.064 225 R CB 0.576 30.797 30.300 -0.131 0.000 1.046 225 R HN -0.119 nan 8.270 nan 0.000 0.508 226 R N 1.257 121.655 120.500 -0.171 0.000 3.416 226 R HA -0.183 4.149 4.340 -0.014 0.000 0.263 226 R C -1.167 174.989 176.300 -0.241 0.000 1.053 226 R CA 0.958 56.930 56.100 -0.213 0.000 0.705 226 R CB -2.336 27.808 30.300 -0.259 0.000 1.124 226 R HN 0.476 nan 8.270 nan 0.000 0.444 227 E N 0.191 120.282 120.200 -0.181 0.000 2.248 227 E HA 0.589 4.931 4.350 -0.014 0.000 0.267 227 E C -0.140 176.397 176.600 -0.105 0.000 0.877 227 E CA -0.868 55.439 56.400 -0.155 0.000 0.759 227 E CB 1.833 31.446 29.700 -0.145 0.000 1.182 227 E HN 0.101 nan 8.360 nan 0.000 0.418 228 I N 3.514 124.056 120.570 -0.046 0.000 2.436 228 I HA 0.422 4.584 4.170 -0.014 0.000 0.289 228 I C -0.646 175.500 176.117 0.049 0.000 1.010 228 I CA -0.554 60.720 61.300 -0.043 0.000 1.098 228 I CB 1.323 39.336 38.000 0.021 0.000 1.266 228 I HN 0.343 nan 8.210 nan 0.000 0.434 229 I N 4.989 125.579 120.570 0.034 0.000 2.468 229 I HA 0.308 4.470 4.170 -0.014 0.000 0.284 229 I C -0.435 175.899 176.117 0.362 0.000 1.038 229 I CA -0.218 61.216 61.300 0.223 0.000 1.083 229 I CB 1.883 40.049 38.000 0.275 0.000 1.223 229 I HN 0.454 nan 8.210 nan 0.000 0.443 230 S N 6.733 122.729 115.700 0.494 0.000 2.561 230 S HA 0.679 5.140 4.470 -0.014 0.000 0.303 230 S C -1.320 173.638 174.600 0.596 0.000 1.110 230 S CA -0.371 58.128 58.200 0.499 0.000 1.034 230 S CB 0.968 64.404 63.200 0.394 0.000 1.010 230 S HN 0.403 nan 8.310 nan 0.000 0.482 231 F N 3.567 123.684 119.950 0.277 0.000 2.540 231 F HA 0.660 5.178 4.527 -0.014 0.000 0.317 231 F C 0.911 176.705 175.800 -0.009 0.000 1.104 231 F CA 0.583 58.574 58.000 -0.014 0.000 0.913 231 F CB 1.750 40.617 39.000 -0.221 0.000 1.170 231 F HN 0.830 nan 8.300 nan 0.000 0.450 232 G N 2.593 111.026 108.800 -0.611 0.000 2.241 232 G HA2 -0.210 3.741 3.960 -0.014 0.000 0.244 232 G HA3 -0.210 3.741 3.960 -0.014 0.000 0.244 232 G C -0.044 174.802 174.900 -0.089 0.000 0.998 232 G CA 0.171 45.051 45.100 -0.367 0.000 0.621 232 G HN 1.039 nan 8.290 nan 0.000 0.519 233 S N 0.013 115.751 115.700 0.063 0.000 2.473 233 S HA 0.622 5.084 4.470 -0.014 0.000 0.307 233 S C 1.089 175.883 174.600 0.323 0.000 1.094 233 S CA 0.762 59.086 58.200 0.207 0.000 1.070 233 S CB 1.467 64.817 63.200 0.249 0.000 1.019 233 S HN 1.359 nan 8.310 nan 0.000 0.480 234 G N 2.783 111.757 108.800 0.290 0.000 3.141 234 G HA2 0.151 4.103 3.960 -0.014 0.000 0.218 234 G HA3 0.151 4.103 3.960 -0.014 0.000 0.218 234 G C -0.291 174.852 174.900 0.406 0.000 1.170 234 G CA 0.001 45.224 45.100 0.204 0.000 0.769 234 G HN 0.674 nan 8.290 nan 0.000 0.546 235 Y N 1.155 121.675 120.300 0.366 0.000 2.330 235 Y HA 0.449 4.992 4.550 -0.012 0.000 0.336 235 Y C 1.371 177.417 175.900 0.244 0.000 1.036 235 Y CA 0.266 58.587 58.100 0.369 0.000 1.125 235 Y CB 1.264 39.885 38.460 0.267 0.000 1.194 235 Y HN 0.346 nan 8.280 nan 0.000 0.469 236 G N 3.751 112.492 108.800 -0.099 0.000 2.698 236 G HA2 -0.438 3.513 3.960 -0.014 0.000 0.346 236 G HA3 -0.438 3.513 3.960 -0.014 0.000 0.346 236 G C 1.328 176.177 174.900 -0.085 0.000 1.287 236 G CA 0.664 45.691 45.100 -0.121 0.000 0.990 236 G HN 1.355 nan 8.290 nan 0.000 0.545 237 G N -0.044 108.826 108.800 0.117 0.000 2.559 237 G HA2 -0.050 3.902 3.960 -0.014 0.000 0.216 237 G HA3 -0.050 3.902 3.960 -0.014 0.000 0.216 237 G C 1.457 176.448 174.900 0.152 0.000 1.126 237 G CA 1.405 46.575 45.100 0.116 0.000 0.778 237 G HN 0.747 nan 8.290 nan 0.000 0.543 238 N N -0.108 118.703 118.700 0.185 0.000 2.416 238 N HA -0.023 4.709 4.740 -0.014 0.000 0.177 238 N C 2.135 177.704 175.510 0.098 0.000 1.036 238 N CA 1.071 54.235 53.050 0.190 0.000 0.901 238 N CB 0.165 38.800 38.487 0.248 0.000 0.976 238 N HN 0.453 nan 8.380 nan 0.000 0.444 239 S N -0.304 115.368 115.700 -0.047 0.000 2.619 239 S HA 0.191 4.653 4.470 -0.014 0.000 0.238 239 S C 0.420 174.802 174.600 -0.364 0.000 1.068 239 S CA -0.485 57.477 58.200 -0.397 0.000 0.926 239 S CB 0.024 62.974 63.200 -0.416 0.000 0.864 239 S HN -0.002 nan 8.310 nan 0.000 0.493 240 L N 3.300 124.365 121.223 -0.263 0.000 2.375 240 L HA 0.402 4.734 4.340 -0.014 0.000 0.276 240 L C 0.783 177.530 176.870 -0.204 0.000 1.162 240 L CA -0.283 54.372 54.840 -0.308 0.000 0.991 240 L CB 0.215 42.005 42.059 -0.448 0.000 1.315 240 L HN 0.245 nan 8.230 nan 0.000 0.431 241 L N 1.701 122.837 121.223 -0.145 0.000 2.376 241 L HA -0.030 4.302 4.340 -0.014 0.000 0.219 241 L C 2.394 179.360 176.870 0.160 0.000 1.133 241 L CA 0.853 55.722 54.840 0.047 0.000 0.816 241 L CB -0.318 41.829 42.059 0.147 0.000 0.933 241 L HN 0.771 nan 8.230 nan 0.000 0.449 242 G N 0.039 108.811 108.800 -0.046 0.000 2.448 242 G HA2 -0.222 3.730 3.960 -0.014 0.000 0.218 242 G HA3 -0.222 3.730 3.960 -0.014 0.000 0.218 242 G C 1.638 176.567 174.900 0.047 0.000 1.135 242 G CA 0.406 45.547 45.100 0.069 0.000 0.784 242 G HN 0.266 nan 8.290 nan 0.000 0.543 243 K N 0.052 120.431 120.400 -0.035 0.000 1.979 243 K HA 0.014 4.325 4.320 -0.014 0.000 0.213 243 K C 2.411 179.024 176.600 0.021 0.000 1.036 243 K CA 0.847 57.104 56.287 -0.050 0.000 0.954 243 K CB -0.036 32.389 32.500 -0.125 0.000 0.743 243 K HN -0.069 nan 8.250 nan 0.000 0.443 244 K N 0.468 120.888 120.400 0.033 0.000 2.067 244 K HA 0.005 4.317 4.320 -0.014 0.000 0.203 244 K C 2.412 179.141 176.600 0.215 0.000 1.048 244 K CA 0.964 57.267 56.287 0.027 0.000 0.954 244 K CB -0.761 31.794 32.500 0.093 0.000 0.737 244 K HN 0.318 nan 8.250 nan 0.000 0.444 245 C N 1.094 120.590 119.300 0.325 0.000 2.413 245 C HA -0.113 4.338 4.460 -0.014 0.000 0.277 245 C C 2.578 177.859 174.990 0.484 0.000 1.228 245 C CA 0.472 59.786 59.018 0.493 0.000 1.731 245 C CB -0.889 27.089 27.740 0.396 0.000 2.042 245 C HN 0.351 nan 8.230 nan 0.000 0.468 246 F N 2.018 122.140 119.950 0.287 0.000 2.059 246 F HA 0.184 4.702 4.527 -0.014 0.000 0.289 246 F C 2.370 178.391 175.800 0.369 0.000 1.128 246 F CA 1.486 59.681 58.000 0.324 0.000 1.181 246 F CB -1.227 38.006 39.000 0.387 0.000 1.012 246 F HN 0.122 nan 8.300 nan 0.000 0.473 247 A N -0.161 123.042 122.820 0.639 0.000 2.168 247 A HA 0.063 4.374 4.320 -0.014 0.000 0.215 247 A C 2.102 180.037 177.584 0.585 0.000 1.152 247 A CA 1.258 53.712 52.037 0.695 0.000 0.716 247 A CB -0.637 18.534 19.000 0.286 0.000 0.794 247 A HN 0.510 nan 8.150 nan 0.000 0.465 248 L N -2.402 119.021 121.223 0.333 0.000 2.590 248 L HA 0.137 4.468 4.340 -0.014 0.000 0.181 248 L C 2.661 179.657 176.870 0.210 0.000 1.134 248 L CA 0.129 55.094 54.840 0.209 0.000 0.850 248 L CB -0.407 41.615 42.059 -0.061 0.000 1.172 248 L HN 0.184 nan 8.230 nan 0.000 0.498 249 R N 0.317 120.930 120.500 0.188 0.000 2.061 249 R HA -0.069 4.263 4.340 -0.014 0.000 0.230 249 R C 2.164 178.549 176.300 0.142 0.000 1.140 249 R CA 1.171 57.337 56.100 0.110 0.000 0.940 249 R CB -0.279 29.943 30.300 -0.130 0.000 0.839 249 R HN 0.183 nan 8.270 nan 0.000 0.429 250 I N 1.129 121.812 120.570 0.188 0.000 2.179 250 I HA -0.207 3.955 4.170 -0.014 0.000 0.242 250 I C 2.568 178.731 176.117 0.076 0.000 1.088 250 I CA 1.392 62.761 61.300 0.115 0.000 1.357 250 I CB -1.361 36.672 38.000 0.055 0.000 1.051 250 I HN 0.191 nan 8.210 nan 0.000 0.409 251 A N 0.999 123.921 122.820 0.171 0.000 1.933 251 A HA -0.198 4.113 4.320 -0.014 0.000 0.218 251 A C 2.534 179.978 177.584 -0.233 0.000 1.175 251 A CA 2.239 54.283 52.037 0.011 0.000 0.628 251 A CB -0.770 18.314 19.000 0.140 0.000 0.814 251 A HN 0.572 nan 8.150 nan 0.000 0.444 252 S N -0.667 115.028 115.700 -0.010 0.000 2.368 252 S HA -0.154 4.308 4.470 -0.014 0.000 0.224 252 S C 2.094 176.704 174.600 0.017 0.000 1.029 252 S CA 1.006 59.253 58.200 0.078 0.000 0.988 252 S CB -0.427 62.984 63.200 0.352 0.000 0.838 252 S HN 0.460 nan 8.310 nan 0.000 0.462 253 R N 1.362 121.872 120.500 0.017 0.000 2.073 253 R HA 0.110 4.441 4.340 -0.014 0.000 0.234 253 R C 2.388 178.473 176.300 -0.359 0.000 1.134 253 R CA 1.461 57.432 56.100 -0.215 0.000 0.952 253 R CB -1.250 29.010 30.300 -0.068 0.000 0.850 253 R HN 0.511 nan 8.270 nan 0.000 0.433 254 L N -0.024 121.023 121.223 -0.293 0.000 2.012 254 L HA -0.195 4.137 4.340 -0.014 0.000 0.210 254 L C 2.668 179.210 176.870 -0.547 0.000 1.073 254 L CA 1.552 56.220 54.840 -0.286 0.000 0.748 254 L CB -0.733 41.258 42.059 -0.114 0.000 0.891 254 L HN 0.184 nan 8.230 nan 0.000 0.431 255 A N 0.077 122.252 122.820 -1.074 0.000 1.883 255 A HA -0.272 4.039 4.320 -0.014 0.000 0.217 255 A C 2.424 179.497 177.584 -0.852 0.000 1.186 255 A CA 2.066 53.096 52.037 -1.677 0.000 0.624 255 A CB -0.551 17.485 19.000 -1.607 0.000 0.822 255 A HN 0.337 nan 8.150 nan 0.000 0.444 256 K N -0.133 119.771 120.400 -0.826 0.000 2.044 256 K HA -0.249 4.063 4.320 -0.014 0.000 0.210 256 K C 1.892 178.140 176.600 -0.587 0.000 1.049 256 K CA 2.038 57.682 56.287 -1.072 0.000 0.927 256 K CB -0.245 31.548 32.500 -1.177 0.000 0.713 256 K HN 0.662 nan 8.250 nan 0.000 0.443 257 E N -0.098 119.843 120.200 -0.430 0.000 2.106 257 E HA -0.169 4.173 4.350 -0.014 0.000 0.192 257 E C 1.542 178.077 176.600 -0.108 0.000 0.984 257 E CA 1.319 57.579 56.400 -0.233 0.000 0.806 257 E CB 0.121 29.710 29.700 -0.186 0.000 0.750 257 E HN 0.446 nan 8.360 nan 0.000 0.458 258 E N -1.326 118.826 120.200 -0.081 0.000 2.489 258 E HA 0.127 4.469 4.350 -0.014 0.000 0.204 258 E C 0.767 177.504 176.600 0.229 0.000 1.006 258 E CA 0.309 56.784 56.400 0.125 0.000 0.936 258 E CB 1.234 31.146 29.700 0.354 0.000 1.002 258 E HN 0.304 nan 8.360 nan 0.000 0.488 259 G N 1.269 110.173 108.800 0.173 0.000 2.163 259 G HA2 -0.166 3.786 3.960 -0.014 0.000 0.213 259 G HA3 -0.166 3.786 3.960 -0.014 0.000 0.213 259 G C -0.097 174.989 174.900 0.311 0.000 0.991 259 G CA 0.135 45.386 45.100 0.251 0.000 0.653 259 G HN 0.222 nan 8.290 nan 0.000 0.518 260 W N -0.655 120.719 121.300 0.123 0.000 3.330 260 W HA 0.862 5.514 4.660 -0.014 0.000 0.364 260 W C -0.670 175.912 176.519 0.105 0.000 1.369 260 W CA -1.653 55.725 57.345 0.056 0.000 1.094 260 W CB 0.536 29.992 29.460 -0.007 0.000 1.857 260 W HN 0.091 nan 8.180 nan 0.000 0.646 261 L N 1.307 122.676 121.223 0.243 0.000 2.408 261 L HA 0.702 5.034 4.340 -0.014 0.000 0.268 261 L C -0.466 176.554 176.870 0.249 0.000 0.986 261 L CA -1.023 53.870 54.840 0.089 0.000 0.820 261 L CB 1.860 43.894 42.059 -0.041 0.000 1.303 261 L HN 0.575 nan 8.230 nan 0.000 0.411 262 A N 2.504 125.418 122.820 0.157 0.000 2.310 262 A HA 0.799 5.110 4.320 -0.014 0.000 0.304 262 A C -0.872 176.982 177.584 0.449 0.000 1.231 262 A CA -0.496 51.735 52.037 0.324 0.000 0.799 262 A CB 0.856 19.873 19.000 0.029 0.000 1.162 262 A HN 0.586 nan 8.150 nan 0.000 0.486 263 E N 0.605 121.115 120.200 0.518 0.000 2.343 263 E HA 0.205 4.547 4.350 -0.014 0.000 0.270 263 E C -1.039 175.825 176.600 0.440 0.000 0.895 263 E CA -0.580 56.133 56.400 0.522 0.000 0.767 263 E CB 1.554 31.613 29.700 0.598 0.000 1.248 263 E HN 0.777 nan 8.360 nan 0.000 0.440 264 H N 2.457 121.692 119.070 0.274 0.000 2.799 264 H HA 0.297 4.844 4.556 -0.015 0.000 0.225 264 H C -0.649 174.772 175.328 0.154 0.000 1.904 264 H CA -0.019 56.118 56.048 0.149 0.000 1.344 264 H CB -0.131 29.706 29.762 0.125 0.000 1.744 264 H HN 0.189 nan 8.280 nan 0.000 0.542 265 M N 3.682 123.385 119.600 0.172 0.000 2.393 265 M HA 0.177 4.648 4.480 -0.014 0.000 0.299 265 M C -0.712 175.608 176.300 0.034 0.000 1.103 265 M CA -1.347 53.985 55.300 0.053 0.000 0.910 265 M CB 2.603 35.285 32.600 0.137 0.000 1.659 265 M HN 0.240 nan 8.290 nan 0.000 0.445 266 L N 1.388 122.584 121.223 -0.046 0.000 2.473 266 L HA 0.613 4.945 4.340 -0.014 0.000 0.268 266 L C -0.892 176.010 176.870 0.054 0.000 1.215 266 L CA 0.256 55.102 54.840 0.011 0.000 0.823 266 L CB 0.059 42.105 42.059 -0.022 0.000 1.099 266 L HN 0.566 nan 8.230 nan 0.000 0.483 267 I N 2.785 123.418 120.570 0.105 0.000 2.466 267 I HA 0.503 4.665 4.170 -0.014 0.000 0.289 267 I C -0.919 175.306 176.117 0.179 0.000 1.026 267 I CA -0.738 60.652 61.300 0.151 0.000 1.078 267 I CB 1.800 39.901 38.000 0.168 0.000 1.249 267 I HN 0.665 nan 8.210 nan 0.000 0.429 268 L N 3.595 124.932 121.223 0.191 0.000 2.371 268 L HA 1.024 5.355 4.340 -0.014 0.000 0.262 268 L C -0.281 176.669 176.870 0.134 0.000 1.006 268 L CA -0.485 54.451 54.840 0.161 0.000 0.818 268 L CB 1.696 43.817 42.059 0.105 0.000 1.354 268 L HN 0.511 nan 8.230 nan 0.000 0.415 269 G N 1.923 110.717 108.800 -0.010 0.000 2.368 269 G HA2 0.666 4.617 3.960 -0.014 0.000 0.320 269 G HA3 0.666 4.617 3.960 -0.014 0.000 0.320 269 G C -1.287 173.526 174.900 -0.146 0.000 1.158 269 G CA -0.511 44.341 45.100 -0.413 0.000 0.912 269 G HN 0.917 nan 8.290 nan 0.000 0.456 270 I N 1.813 122.344 120.570 -0.065 0.000 2.465 270 I HA 0.561 4.723 4.170 -0.014 0.000 0.291 270 I C -0.521 175.707 176.117 0.185 0.000 1.014 270 I CA -0.463 60.922 61.300 0.142 0.000 1.093 270 I CB 2.011 40.188 38.000 0.295 0.000 1.267 270 I HN 0.380 nan 8.210 nan 0.000 0.431 271 T N 6.182 120.791 114.554 0.093 0.000 2.797 271 T HA 0.355 4.697 4.350 -0.014 0.000 0.279 271 T C -0.250 174.204 174.700 -0.409 0.000 0.991 271 T CA -0.705 61.359 62.100 -0.061 0.000 0.979 271 T CB 1.077 69.899 68.868 -0.078 0.000 0.943 271 T HN 0.733 nan 8.240 nan 0.000 0.444 272 N N 2.716 120.914 118.700 -0.837 0.000 2.413 272 N HA 0.301 5.033 4.740 -0.014 0.000 0.266 272 N C -2.413 172.485 175.510 -1.019 0.000 1.238 272 N CA -2.303 49.722 53.050 -1.707 0.000 0.972 272 N CB -0.129 37.190 38.487 -1.947 0.000 1.210 272 N HN 0.116 nan 8.380 nan 0.000 0.547 273 P HA 0.022 nan 4.420 nan 0.000 0.239 273 P C -0.322 176.787 177.300 -0.318 0.000 1.184 273 P CA 1.045 63.841 63.100 -0.506 0.000 0.760 273 P CB 0.044 31.519 31.700 -0.375 0.000 0.884 274 E N -1.517 118.485 120.200 -0.330 0.000 2.603 274 E HA 0.281 4.623 4.350 -0.014 0.000 0.211 274 E C 1.103 177.618 176.600 -0.143 0.000 0.995 274 E CA 0.154 56.442 56.400 -0.187 0.000 0.990 274 E CB 0.039 29.654 29.700 -0.142 0.000 1.036 274 E HN 0.105 nan 8.360 nan 0.000 0.475 275 G N 2.632 111.326 108.800 -0.177 0.000 2.179 275 G HA2 -0.353 3.599 3.960 -0.014 0.000 0.260 275 G HA3 -0.353 3.599 3.960 -0.014 0.000 0.260 275 G C 0.350 175.217 174.900 -0.055 0.000 0.977 275 G CA 0.507 45.544 45.100 -0.106 0.000 0.641 275 G HN 0.226 nan 8.290 nan 0.000 0.533 276 K N 0.801 121.177 120.400 -0.040 0.000 2.297 276 K HA 0.494 4.805 4.320 -0.014 0.000 0.286 276 K C 0.203 176.914 176.600 0.185 0.000 1.053 276 K CA -0.366 55.978 56.287 0.095 0.000 0.940 276 K CB 0.391 33.007 32.500 0.193 0.000 1.019 276 K HN 0.225 nan 8.250 nan 0.000 0.475 277 K N 3.785 124.271 120.400 0.144 0.000 2.207 277 K HA 0.317 4.628 4.320 -0.014 0.000 0.255 277 K C -1.212 175.425 176.600 0.062 0.000 0.941 277 K CA -0.712 55.638 56.287 0.104 0.000 0.825 277 K CB 1.144 33.645 32.500 0.001 0.000 1.119 277 K HN 0.455 nan 8.250 nan 0.000 0.430 278 K N 2.584 122.995 120.400 0.019 0.000 2.426 278 K HA 0.301 4.613 4.320 -0.014 0.000 0.251 278 K C -1.513 175.008 176.600 -0.131 0.000 0.941 278 K CA -0.857 55.395 56.287 -0.058 0.000 0.808 278 K CB 1.600 33.966 32.500 -0.225 0.000 1.265 278 K HN 0.396 nan 8.250 nan 0.000 0.432 279 Y N 1.698 122.032 120.300 0.056 0.000 2.342 279 Y HA 0.433 4.974 4.550 -0.014 0.000 0.334 279 Y C -0.052 175.891 175.900 0.071 0.000 1.067 279 Y CA -0.671 57.474 58.100 0.074 0.000 1.128 279 Y CB 1.060 39.560 38.460 0.066 0.000 1.200 279 Y HN 0.180 nan 8.280 nan 0.000 0.464 280 L N 2.932 124.279 121.223 0.207 0.000 2.354 280 L HA 0.908 5.239 4.340 -0.014 0.000 0.269 280 L C -0.480 176.471 176.870 0.135 0.000 1.005 280 L CA -1.168 53.764 54.840 0.154 0.000 0.819 280 L CB 2.012 44.144 42.059 0.123 0.000 1.311 280 L HN 0.682 nan 8.230 nan 0.000 0.423 281 A N 1.890 124.769 122.820 0.097 0.000 2.355 281 A HA 0.960 5.271 4.320 -0.014 0.000 0.324 281 A C -0.868 176.683 177.584 -0.056 0.000 1.117 281 A CA -0.471 51.598 52.037 0.053 0.000 0.785 281 A CB 1.767 20.826 19.000 0.099 0.000 1.254 281 A HN 0.784 nan 8.150 nan 0.000 0.453 282 A N 0.660 123.384 122.820 -0.160 0.000 2.437 282 A HA 0.740 5.052 4.320 -0.014 0.000 0.293 282 A C -0.368 176.893 177.584 -0.538 0.000 1.038 282 A CA 0.193 51.972 52.037 -0.431 0.000 0.708 282 A CB 1.058 19.699 19.000 -0.598 0.000 1.251 282 A HN 2.262 nan 8.150 nan 0.000 0.409 283 A N 2.435 125.004 122.820 -0.418 0.000 2.256 283 A HA 0.785 5.097 4.320 -0.014 0.000 0.317 283 A C -1.113 176.389 177.584 -0.137 0.000 1.318 283 A CA -0.190 51.744 52.037 -0.173 0.000 0.894 283 A CB -0.246 18.911 19.000 0.261 0.000 1.165 283 A HN 0.676 nan 8.150 nan 0.000 0.525 284 F N 1.968 121.914 119.950 -0.008 0.000 2.546 284 F HA 0.590 5.111 4.527 -0.011 0.000 0.320 284 F C -2.268 173.531 175.800 -0.001 0.000 1.076 284 F CA -2.902 55.095 58.000 -0.005 0.000 0.928 284 F CB 1.135 40.141 39.000 0.009 0.000 1.189 284 F HN 0.295 nan 8.300 nan 0.000 0.465 285 P HA 0.022 nan 4.420 nan 0.000 0.269 285 P C 0.030 177.429 177.300 0.165 0.000 1.211 285 P CA -0.072 63.129 63.100 0.170 0.000 0.781 285 P CB 0.359 32.106 31.700 0.077 0.000 0.877 286 S N 0.128 115.935 115.700 0.178 0.000 3.544 286 S HA 0.426 4.888 4.470 -0.014 0.000 0.227 286 S C 0.676 175.324 174.600 0.079 0.000 1.387 286 S CA 0.221 58.520 58.200 0.166 0.000 1.182 286 S CB -1.115 62.222 63.200 0.229 0.000 1.243 286 S HN 0.553 nan 8.310 nan 0.000 0.467 287 A N -0.905 121.947 122.820 0.053 0.000 2.431 287 A HA 0.330 4.642 4.320 -0.014 0.000 0.221 287 A C 0.672 178.239 177.584 -0.030 0.000 1.291 287 A CA -0.216 51.818 52.037 -0.004 0.000 1.135 287 A CB -0.556 18.412 19.000 -0.053 0.000 1.095 287 A HN 0.627 nan 8.150 nan 0.000 0.461 288 C N -0.269 119.063 119.300 0.053 0.000 3.125 288 C HA 0.564 5.016 4.460 -0.014 0.000 0.284 288 C C 1.660 176.840 174.990 0.316 0.000 1.386 288 C CA 0.292 59.357 59.018 0.077 0.000 1.763 288 C CB -0.585 27.142 27.740 -0.021 0.000 2.377 288 C HN 1.680 nan 8.230 nan 0.000 0.620 289 G N 1.826 110.803 108.800 0.295 0.000 2.207 289 G HA2 -0.216 3.736 3.960 -0.014 0.000 0.216 289 G HA3 -0.216 3.736 3.960 -0.014 0.000 0.216 289 G C 0.704 175.833 174.900 0.382 0.000 1.053 289 G CA 0.429 45.718 45.100 0.315 0.000 0.764 289 G HN 0.501 nan 8.290 nan 0.000 0.495 290 K N -0.665 119.960 120.400 0.375 0.000 2.007 290 K HA -0.029 4.283 4.320 -0.014 0.000 0.206 290 K C 2.644 179.347 176.600 0.172 0.000 1.047 290 K CA 1.794 58.294 56.287 0.354 0.000 0.937 290 K CB -0.184 32.443 32.500 0.211 0.000 0.718 290 K HN 0.319 nan 8.250 nan 0.000 0.438 291 T N 1.438 116.051 114.554 0.098 0.000 2.788 291 T HA -0.110 4.231 4.350 -0.014 0.000 0.268 291 T C 1.387 176.097 174.700 0.016 0.000 1.044 291 T CA 1.751 63.857 62.100 0.010 0.000 1.139 291 T CB -0.463 68.400 68.868 -0.008 0.000 0.867 291 T HN 0.335 nan 8.240 nan 0.000 0.454 292 N N 1.394 120.141 118.700 0.079 0.000 2.061 292 N HA -0.066 4.666 4.740 -0.014 0.000 0.193 292 N C 1.585 177.136 175.510 0.069 0.000 1.030 292 N CA 0.704 53.798 53.050 0.074 0.000 0.856 292 N CB -0.562 38.003 38.487 0.130 0.000 1.023 292 N HN 0.189 nan 8.380 nan 0.000 0.424 293 L N 0.331 121.640 121.223 0.142 0.000 2.109 293 L HA 0.112 4.444 4.340 -0.014 0.000 0.207 293 L C 2.037 178.964 176.870 0.094 0.000 1.086 293 L CA 1.111 56.045 54.840 0.155 0.000 0.760 293 L CB -0.690 41.581 42.059 0.354 0.000 0.910 293 L HN 0.191 nan 8.230 nan 0.000 0.437 294 A N 0.060 122.920 122.820 0.065 0.000 1.933 294 A HA -0.149 4.163 4.320 -0.014 0.000 0.218 294 A C 1.817 179.391 177.584 -0.017 0.000 1.175 294 A CA 1.889 53.940 52.037 0.022 0.000 0.628 294 A CB -0.560 18.434 19.000 -0.011 0.000 0.814 294 A HN 0.580 nan 8.150 nan 0.000 0.444 295 M N -1.964 117.602 119.600 -0.056 0.000 2.876 295 M HA 0.462 4.933 4.480 -0.014 0.000 0.367 295 M C 0.151 176.423 176.300 -0.046 0.000 1.242 295 M CA -0.281 54.975 55.300 -0.073 0.000 0.889 295 M CB 0.024 32.531 32.600 -0.155 0.000 1.353 295 M HN 0.251 nan 8.290 nan 0.000 0.511 296 M N 2.923 122.513 119.600 -0.016 0.000 2.248 296 M HA 0.016 4.488 4.480 -0.014 0.000 0.343 296 M C -0.427 175.862 176.300 -0.019 0.000 1.243 296 M CA 1.212 56.502 55.300 -0.017 0.000 1.025 296 M CB 0.369 32.965 32.600 -0.007 0.000 1.759 296 M HN 0.604 nan 8.290 nan 0.000 0.452 297 N N 7.260 125.941 118.700 -0.031 0.000 2.558 297 N HA 0.378 5.109 4.740 -0.014 0.000 0.233 297 N C -2.484 173.010 175.510 -0.026 0.000 1.038 297 N CA -1.543 51.490 53.050 -0.027 0.000 0.934 297 N CB 0.875 39.336 38.487 -0.043 0.000 1.175 297 N HN 0.418 nan 8.380 nan 0.000 0.512 298 P HA 0.055 nan 4.420 nan 0.000 0.271 298 P C 0.673 177.961 177.300 -0.019 0.000 1.218 298 P CA -0.103 62.986 63.100 -0.018 0.000 0.780 298 P CB 1.093 32.811 31.700 0.030 0.000 0.901 299 T N -0.780 113.743 114.554 -0.052 0.000 3.057 299 T HA 0.128 4.470 4.350 -0.014 0.000 0.254 299 T C 0.915 175.601 174.700 -0.024 0.000 1.094 299 T CA 0.098 62.170 62.100 -0.047 0.000 1.088 299 T CB -0.296 68.524 68.868 -0.080 0.000 0.934 299 T HN 0.193 nan 8.240 nan 0.000 0.497 300 L N 2.842 124.048 121.223 -0.028 0.000 2.319 300 L HA 0.368 4.699 4.340 -0.014 0.000 0.280 300 L C -2.318 174.651 176.870 0.164 0.000 1.099 300 L CA -2.357 52.499 54.840 0.026 0.000 0.828 300 L CB 0.387 42.374 42.059 -0.119 0.000 1.150 300 L HN -0.022 nan 8.230 nan 0.000 0.442 301 P HA 0.034 nan 4.420 nan 0.000 0.264 301 P C 0.814 178.212 177.300 0.163 0.000 1.183 301 P CA 0.569 63.739 63.100 0.116 0.000 0.763 301 P CB 0.759 32.501 31.700 0.070 0.000 0.807 302 G N 0.412 109.257 108.800 0.075 0.000 2.179 302 G HA2 -0.222 3.729 3.960 -0.014 0.000 0.260 302 G HA3 -0.222 3.729 3.960 -0.014 0.000 0.260 302 G C -0.488 174.326 174.900 -0.143 0.000 0.977 302 G CA -0.550 44.522 45.100 -0.047 0.000 0.641 302 G HN 0.390 nan 8.290 nan 0.000 0.533 303 W N 0.828 122.089 121.300 -0.065 0.000 2.438 303 W HA 0.723 5.376 4.660 -0.012 0.000 0.324 303 W C 0.495 176.982 176.519 -0.052 0.000 1.119 303 W CA -0.702 56.598 57.345 -0.076 0.000 1.221 303 W CB 1.208 30.621 29.460 -0.078 0.000 1.253 303 W HN 0.048 nan 8.180 nan 0.000 0.555 304 K N 2.277 122.774 120.400 0.161 0.000 2.397 304 K HA 0.645 4.957 4.320 -0.014 0.000 0.253 304 K C -1.778 174.888 176.600 0.110 0.000 0.932 304 K CA -0.612 55.732 56.287 0.094 0.000 0.795 304 K CB 1.824 34.339 32.500 0.025 0.000 1.159 304 K HN 0.356 nan 8.250 nan 0.000 0.424 305 V N 3.672 123.636 119.914 0.083 0.000 2.495 305 V HA 0.383 4.495 4.120 -0.014 0.000 0.298 305 V C -0.737 175.382 176.094 0.042 0.000 1.031 305 V CA -0.715 61.626 62.300 0.068 0.000 0.871 305 V CB 1.677 33.539 31.823 0.065 0.000 0.988 305 V HN 0.828 nan 8.190 nan 0.000 0.432 306 E N 2.066 122.289 120.200 0.039 0.000 2.256 306 E HA 0.464 4.806 4.350 -0.014 0.000 0.267 306 E C -1.322 175.324 176.600 0.077 0.000 0.892 306 E CA -0.577 55.853 56.400 0.051 0.000 0.775 306 E CB 2.424 32.161 29.700 0.062 0.000 1.207 306 E HN 0.691 nan 8.360 nan 0.000 0.420 307 C N 3.234 122.579 119.300 0.075 0.000 2.273 307 C HA 0.336 4.788 4.460 -0.014 0.000 0.328 307 C C 1.310 176.390 174.990 0.151 0.000 1.275 307 C CA -0.316 58.758 59.018 0.093 0.000 1.704 307 C CB -0.474 27.288 27.740 0.036 0.000 2.326 307 C HN 0.699 nan 8.230 nan 0.000 0.517 308 V N 5.363 125.407 119.914 0.216 0.000 2.492 308 V HA 0.376 4.487 4.120 -0.014 0.000 0.241 308 V C 1.435 177.679 176.094 0.249 0.000 1.041 308 V CA 1.449 63.917 62.300 0.280 0.000 1.057 308 V CB -0.309 31.691 31.823 0.296 0.000 0.711 308 V HN 1.042 nan 8.190 nan 0.000 0.468 309 G N -0.254 108.679 108.800 0.221 0.000 2.677 309 G HA2 0.469 4.420 3.960 -0.014 0.000 0.291 309 G HA3 0.469 4.420 3.960 -0.014 0.000 0.291 309 G C -0.819 174.209 174.900 0.214 0.000 1.435 309 G CA 0.454 45.700 45.100 0.243 0.000 0.826 309 G HN 0.127 nan 8.290 nan 0.000 0.491 310 D N -1.302 119.252 120.400 0.257 0.000 2.469 310 D HA 0.154 4.786 4.640 -0.014 0.000 0.213 310 D C 0.342 176.702 176.300 0.100 0.000 1.135 310 D CA 0.267 54.341 54.000 0.124 0.000 0.834 310 D CB 1.264 42.067 40.800 0.006 0.000 1.009 310 D HN 0.323 nan 8.370 nan 0.000 0.507 311 D N -0.336 120.138 120.400 0.125 0.000 2.829 311 D HA 0.293 4.925 4.640 -0.014 0.000 0.250 311 D C -0.203 176.192 176.300 0.158 0.000 1.304 311 D CA 0.299 54.373 54.000 0.123 0.000 1.197 311 D CB 1.082 41.976 40.800 0.157 0.000 1.501 311 D HN 0.086 nan 8.370 nan 0.000 0.424 312 I N 1.022 121.668 120.570 0.126 0.000 2.608 312 I HA 0.702 4.864 4.170 -0.014 0.000 0.295 312 I C -0.929 175.259 176.117 0.117 0.000 1.049 312 I CA -1.134 60.251 61.300 0.142 0.000 1.063 312 I CB 2.323 40.368 38.000 0.075 0.000 1.248 312 I HN 0.054 nan 8.210 nan 0.000 0.424 313 A N 4.940 127.898 122.820 0.230 0.000 2.374 313 A HA 0.729 5.041 4.320 -0.014 0.000 0.305 313 A C -1.971 175.917 177.584 0.507 0.000 1.053 313 A CA -0.378 51.808 52.037 0.249 0.000 0.726 313 A CB 0.883 20.019 19.000 0.227 0.000 1.229 313 A HN 0.591 nan 8.150 nan 0.000 0.431 314 W N 2.239 123.649 121.300 0.183 0.000 2.376 314 W HA 0.685 5.336 4.660 -0.015 0.000 0.312 314 W C -0.293 176.318 176.519 0.152 0.000 1.060 314 W CA -1.085 56.417 57.345 0.262 0.000 1.221 314 W CB 1.033 30.608 29.460 0.191 0.000 1.281 314 W HN 0.501 nan 8.180 nan 0.000 0.456 315 M N 3.627 123.471 119.600 0.407 0.000 2.326 315 M HA 0.435 4.907 4.480 -0.014 0.000 0.306 315 M C -0.473 175.888 176.300 0.101 0.000 1.054 315 M CA -0.789 54.600 55.300 0.148 0.000 0.922 315 M CB 2.994 35.627 32.600 0.055 0.000 1.632 315 M HN 0.271 nan 8.290 nan 0.000 0.436 316 K N 2.622 122.992 120.400 -0.050 0.000 2.535 316 K HA 0.509 4.821 4.320 -0.014 0.000 0.251 316 K C -1.680 174.843 176.600 -0.129 0.000 0.942 316 K CA -0.531 55.738 56.287 -0.031 0.000 0.798 316 K CB 1.807 34.302 32.500 -0.008 0.000 1.267 316 K HN 0.481 nan 8.250 nan 0.000 0.434 317 F N 3.560 123.510 119.950 0.000 0.000 2.578 317 F HA 0.000 4.519 4.527 -0.014 0.000 0.376 317 F C 1.195 176.978 175.800 -0.028 0.000 1.085 317 F CA 0.365 58.346 58.000 -0.031 0.000 1.260 317 F CB 0.324 39.288 39.000 -0.059 0.000 1.095 317 F HN 0.595 nan 8.300 nan 0.000 0.573 318 D N 2.009 122.490 120.400 0.135 0.000 2.478 318 D HA 0.335 4.967 4.640 -0.014 0.000 0.269 318 D C 0.978 177.318 176.300 0.066 0.000 1.232 318 D CA -0.329 53.710 54.000 0.065 0.000 1.059 318 D CB 0.280 41.093 40.800 0.022 0.000 1.104 318 D HN 0.446 nan 8.370 nan 0.000 0.566 319 A N -0.852 121.986 122.820 0.029 0.000 2.125 319 A HA -0.169 4.142 4.320 -0.014 0.000 0.219 319 A C 1.762 179.352 177.584 0.010 0.000 1.156 319 A CA 1.060 53.106 52.037 0.015 0.000 0.671 319 A CB -0.566 18.436 19.000 0.003 0.000 0.794 319 A HN 0.458 nan 8.150 nan 0.000 0.459 320 Q N -1.609 118.203 119.800 0.020 0.000 2.424 320 Q HA 0.173 4.504 4.340 -0.014 0.000 0.204 320 Q C 1.329 177.344 176.000 0.025 0.000 0.933 320 Q CA 0.856 56.669 55.803 0.016 0.000 0.929 320 Q CB -0.042 28.706 28.738 0.016 0.000 1.037 320 Q HN 1.010 nan 8.270 nan 0.000 0.511 321 G N 1.363 110.198 108.800 0.059 0.000 2.175 321 G HA2 -0.204 3.748 3.960 -0.014 0.000 0.244 321 G HA3 -0.204 3.748 3.960 -0.014 0.000 0.244 321 G C 0.020 175.065 174.900 0.242 0.000 0.982 321 G CA -0.150 45.000 45.100 0.084 0.000 0.641 321 G HN 0.287 nan 8.290 nan 0.000 0.527 322 N N 0.283 119.085 118.700 0.171 0.000 2.520 322 N HA 0.348 5.080 4.740 -0.014 0.000 0.273 322 N C -0.064 175.490 175.510 0.074 0.000 1.155 322 N CA -0.218 52.907 53.050 0.125 0.000 0.967 322 N CB 1.734 40.248 38.487 0.045 0.000 1.092 322 N HN 0.269 nan 8.380 nan 0.000 0.457 323 L N 3.538 124.703 121.223 -0.096 0.000 2.312 323 L HA 0.173 4.505 4.340 -0.014 0.000 0.287 323 L C 0.108 176.839 176.870 -0.231 0.000 1.091 323 L CA -0.094 54.460 54.840 -0.477 0.000 0.846 323 L CB -0.099 41.583 42.059 -0.628 0.000 1.219 323 L HN 0.226 nan 8.230 nan 0.000 0.439 324 R N 4.541 124.924 120.500 -0.195 0.000 2.297 324 R HA 0.703 5.035 4.340 -0.014 0.000 0.308 324 R C -0.606 175.640 176.300 -0.090 0.000 1.029 324 R CA -0.347 55.681 56.100 -0.120 0.000 0.929 324 R CB 1.402 31.646 30.300 -0.093 0.000 1.046 324 R HN 0.706 nan 8.270 nan 0.000 0.461 325 A N 4.247 127.025 122.820 -0.071 0.000 2.355 325 A HA 0.697 5.008 4.320 -0.014 0.000 0.317 325 A C -0.157 177.416 177.584 -0.018 0.000 1.094 325 A CA -0.868 51.166 52.037 -0.005 0.000 0.764 325 A CB 0.966 19.984 19.000 0.031 0.000 1.230 325 A HN 0.781 nan 8.150 nan 0.000 0.448 326 I N -0.556 120.030 120.570 0.027 0.000 2.740 326 I HA 0.607 4.769 4.170 -0.014 0.000 0.303 326 I C -0.407 175.697 176.117 -0.022 0.000 1.044 326 I CA -0.991 60.300 61.300 -0.016 0.000 1.064 326 I CB 2.114 40.081 38.000 -0.055 0.000 1.249 326 I HN 0.485 nan 8.210 nan 0.000 0.433 327 N N 6.021 124.709 118.700 -0.019 0.000 2.406 327 N HA 0.352 5.084 4.740 -0.014 0.000 0.251 327 N C -1.718 173.666 175.510 -0.210 0.000 1.069 327 N CA -2.545 50.478 53.050 -0.044 0.000 0.947 327 N CB 0.948 39.505 38.487 0.116 0.000 1.111 327 N HN 0.464 nan 8.380 nan 0.000 0.497 328 P HA -0.039 nan 4.420 nan 0.000 0.233 328 P C -0.459 176.577 177.300 -0.440 0.000 1.167 328 P CA 0.882 63.521 63.100 -0.767 0.000 0.770 328 P CB 0.488 31.218 31.700 -1.617 0.000 0.837 329 E N -0.158 119.889 120.200 -0.254 0.000 2.280 329 E HA 0.170 4.511 4.350 -0.014 0.000 0.261 329 E C 0.256 176.830 176.600 -0.044 0.000 1.088 329 E CA -0.467 55.838 56.400 -0.159 0.000 0.915 329 E CB 0.479 30.101 29.700 -0.129 0.000 1.141 329 E HN -0.135 nan 8.360 nan 0.000 0.433 330 N N -0.743 117.917 118.700 -0.065 0.000 2.171 330 N HA 0.158 4.889 4.740 -0.014 0.000 0.212 330 N C -0.505 174.919 175.510 -0.143 0.000 1.184 330 N CA 0.091 53.158 53.050 0.028 0.000 0.888 330 N CB 1.152 39.632 38.487 -0.012 0.000 1.038 330 N HN 0.497 nan 8.380 nan 0.000 0.517 331 G N -1.177 107.445 108.800 -0.296 0.000 2.749 331 G HA2 0.500 4.452 3.960 -0.014 0.000 0.300 331 G HA3 0.500 4.452 3.960 -0.014 0.000 0.300 331 G C -1.801 172.790 174.900 -0.515 0.000 1.352 331 G CA -0.591 44.231 45.100 -0.463 0.000 0.789 331 G HN -0.012 nan 8.290 nan 0.000 0.509 332 F N 0.004 119.967 119.950 0.021 0.000 2.449 332 F HA 0.536 5.055 4.527 -0.013 0.000 0.342 332 F C -0.698 175.160 175.800 0.096 0.000 1.127 332 F CA -1.167 56.875 58.000 0.070 0.000 0.975 332 F CB 2.116 41.197 39.000 0.136 0.000 1.146 332 F HN 0.268 nan 8.300 nan 0.000 0.444 333 F N 3.247 123.211 119.950 0.023 0.000 2.344 333 F HA 0.657 5.176 4.527 -0.013 0.000 0.344 333 F C 0.440 176.051 175.800 -0.314 0.000 1.140 333 F CA -0.978 56.929 58.000 -0.155 0.000 1.256 333 F CB -0.023 38.906 39.000 -0.118 0.000 1.573 333 F HN 0.481 nan 8.300 nan 0.000 0.547 334 G N 2.546 110.788 108.800 -0.930 0.000 2.389 334 G HA2 0.470 4.422 3.960 -0.014 0.000 0.317 334 G HA3 0.470 4.422 3.960 -0.014 0.000 0.317 334 G C -0.955 173.159 174.900 -1.310 0.000 1.137 334 G CA -0.648 43.764 45.100 -1.148 0.000 0.870 334 G HN 0.238 nan 8.290 nan 0.000 0.496 335 V N 1.773 121.273 119.914 -0.689 0.000 2.521 335 V HA 0.267 4.378 4.120 -0.014 0.000 0.286 335 V C 1.434 177.220 176.094 -0.513 0.000 1.034 335 V CA 0.547 62.541 62.300 -0.511 0.000 1.045 335 V CB 0.710 32.375 31.823 -0.264 0.000 0.974 335 V HN 0.981 nan 8.190 nan 0.000 0.480 336 A N 7.650 130.131 122.820 -0.565 0.000 1.855 336 A HA 0.182 4.494 4.320 -0.014 0.000 0.213 336 A C -1.351 175.568 177.584 -1.109 0.000 1.195 336 A CA 0.601 52.152 52.037 -0.811 0.000 0.610 336 A CB -1.098 17.341 19.000 -0.934 0.000 0.837 336 A HN 0.722 nan 8.150 nan 0.000 0.444 337 P HA 0.287 nan 4.420 nan 0.000 0.265 337 P C 0.731 177.912 177.300 -0.198 0.000 1.193 337 P CA 1.800 64.667 63.100 -0.387 0.000 0.765 337 P CB 0.564 32.165 31.700 -0.165 0.000 0.823 338 G N 1.623 110.420 108.800 -0.006 0.000 2.194 338 G HA2 -0.196 3.756 3.960 -0.014 0.000 0.236 338 G HA3 -0.196 3.756 3.960 -0.014 0.000 0.236 338 G C 0.109 175.044 174.900 0.060 0.000 0.987 338 G CA -0.077 45.047 45.100 0.040 0.000 0.635 338 G HN 0.575 nan 8.290 nan 0.000 0.520 339 T N 2.209 116.811 114.554 0.080 0.000 2.723 339 T HA 0.628 4.970 4.350 -0.014 0.000 0.297 339 T C 0.204 175.059 174.700 0.259 0.000 0.925 339 T CA 0.616 62.798 62.100 0.137 0.000 1.030 339 T CB 1.487 70.408 68.868 0.089 0.000 0.905 339 T HN 0.390 nan 8.240 nan 0.000 0.502 340 S N 1.616 117.351 115.700 0.059 0.000 2.709 340 S HA 0.407 4.869 4.470 -0.014 0.000 0.302 340 S C 1.420 175.973 174.600 -0.079 0.000 1.127 340 S CA -0.892 57.299 58.200 -0.014 0.000 0.905 340 S CB 1.560 64.710 63.200 -0.084 0.000 1.151 340 S HN 0.384 nan 8.310 nan 0.000 0.510 341 V N 1.221 121.077 119.914 -0.096 0.000 2.626 341 V HA -0.105 4.007 4.120 -0.014 0.000 0.252 341 V C 2.331 178.330 176.094 -0.158 0.000 1.067 341 V CA 1.930 64.165 62.300 -0.110 0.000 1.081 341 V CB -0.722 31.047 31.823 -0.090 0.000 0.686 341 V HN 0.782 nan 8.190 nan 0.000 0.468 342 K N 1.764 122.037 120.400 -0.212 0.000 1.991 342 K HA -0.155 4.157 4.320 -0.014 0.000 0.207 342 K C 2.275 178.566 176.600 -0.515 0.000 1.045 342 K CA 2.395 58.482 56.287 -0.334 0.000 0.937 342 K CB -0.929 31.353 32.500 -0.363 0.000 0.720 342 K HN 0.557 nan 8.250 nan 0.000 0.438 343 T N -2.294 111.932 114.554 -0.547 0.000 2.942 343 T HA 0.015 4.357 4.350 -0.014 0.000 0.265 343 T C 0.677 175.239 174.700 -0.229 0.000 1.062 343 T CA 0.818 62.568 62.100 -0.582 0.000 1.139 343 T CB -0.114 68.558 68.868 -0.326 0.000 0.883 343 T HN 0.163 nan 8.240 nan 0.000 0.468 344 N N 1.133 119.732 118.700 -0.169 0.000 2.824 344 N HA 0.258 4.989 4.740 -0.014 0.000 0.224 344 N C -2.592 172.851 175.510 -0.111 0.000 1.418 344 N CA -1.476 51.509 53.050 -0.110 0.000 0.743 344 N CB 1.756 40.198 38.487 -0.074 0.000 1.395 344 N HN 0.040 nan 8.380 nan 0.000 0.548 345 P HA -0.059 nan 4.420 nan 0.000 0.217 345 P C 0.814 178.059 177.300 -0.092 0.000 1.150 345 P CA 1.024 64.066 63.100 -0.096 0.000 0.832 345 P CB 0.603 32.250 31.700 -0.088 0.000 0.787 346 N N 0.242 118.886 118.700 -0.094 0.000 2.244 346 N HA -0.083 4.648 4.740 -0.014 0.000 0.183 346 N C 1.886 177.316 175.510 -0.134 0.000 1.016 346 N CA 1.362 54.354 53.050 -0.096 0.000 0.866 346 N CB -0.704 37.730 38.487 -0.088 0.000 0.980 346 N HN 0.130 nan 8.380 nan 0.000 0.430 347 A N 1.776 124.495 122.820 -0.169 0.000 1.873 347 A HA -0.063 4.249 4.320 -0.014 0.000 0.215 347 A C 2.144 179.573 177.584 -0.259 0.000 1.186 347 A CA 0.764 52.647 52.037 -0.256 0.000 0.616 347 A CB -0.398 18.443 19.000 -0.266 0.000 0.823 347 A HN 0.073 nan 8.150 nan 0.000 0.442 348 I N 0.228 120.697 120.570 -0.168 0.000 2.194 348 I HA -0.267 3.894 4.170 -0.014 0.000 0.246 348 I C 2.240 178.289 176.117 -0.114 0.000 1.093 348 I CA 1.816 63.045 61.300 -0.119 0.000 1.355 348 I CB -1.259 36.696 38.000 -0.075 0.000 1.046 348 I HN 0.387 nan 8.210 nan 0.000 0.413 349 K N 0.172 120.514 120.400 -0.098 0.000 2.097 349 K HA -0.128 4.183 4.320 -0.014 0.000 0.206 349 K C 2.032 178.590 176.600 -0.070 0.000 1.049 349 K CA 1.846 58.090 56.287 -0.071 0.000 0.933 349 K CB -0.268 32.199 32.500 -0.054 0.000 0.717 349 K HN 0.342 nan 8.250 nan 0.000 0.442 350 T N 2.073 116.573 114.554 -0.091 0.000 2.746 350 T HA -0.099 4.243 4.350 -0.014 0.000 0.267 350 T C 1.797 176.452 174.700 -0.075 0.000 1.039 350 T CA 1.359 63.422 62.100 -0.063 0.000 1.142 350 T CB -0.255 68.590 68.868 -0.039 0.000 0.866 350 T HN 0.398 nan 8.240 nan 0.000 0.444 351 I N -0.741 119.743 120.570 -0.142 0.000 3.735 351 I HA 0.166 4.328 4.170 -0.014 0.000 0.310 351 I C 1.792 177.879 176.117 -0.049 0.000 1.270 351 I CA 0.132 61.356 61.300 -0.126 0.000 1.207 351 I CB -0.326 37.535 38.000 -0.232 0.000 1.013 351 I HN -0.024 nan 8.210 nan 0.000 0.452 352 Q N 3.113 122.859 119.800 -0.089 0.000 2.291 352 Q HA -0.024 4.308 4.340 -0.014 0.000 0.205 352 Q C 0.428 176.416 176.000 -0.021 0.000 0.970 352 Q CA 1.071 56.797 55.803 -0.130 0.000 0.876 352 Q CB -0.080 28.625 28.738 -0.055 0.000 0.935 352 Q HN 0.779 nan 8.270 nan 0.000 0.455 353 K N -0.997 119.421 120.400 0.030 0.000 2.536 353 K HA 0.276 4.588 4.320 -0.014 0.000 0.269 353 K C -0.563 176.098 176.600 0.102 0.000 0.965 353 K CA -0.748 55.591 56.287 0.086 0.000 0.860 353 K CB 1.262 33.810 32.500 0.080 0.000 1.423 353 K HN -0.258 nan 8.250 nan 0.000 0.438 354 N N 0.187 118.980 118.700 0.155 0.000 2.710 354 N HA -0.137 4.595 4.740 -0.014 0.000 0.249 354 N C -1.267 174.359 175.510 0.193 0.000 1.059 354 N CA 1.544 54.723 53.050 0.215 0.000 0.720 354 N CB -1.323 37.274 38.487 0.183 0.000 0.983 354 N HN 0.748 nan 8.380 nan 0.000 0.544 355 T N 0.811 115.463 114.554 0.164 0.000 2.824 355 T HA 0.603 4.945 4.350 -0.014 0.000 0.282 355 T C 0.740 175.461 174.700 0.036 0.000 0.993 355 T CA -0.520 61.585 62.100 0.008 0.000 0.967 355 T CB 1.801 70.544 68.868 -0.209 0.000 0.960 355 T HN 0.060 nan 8.240 nan 0.000 0.441 356 I N 3.527 124.103 120.570 0.009 0.000 2.315 356 I HA 0.411 4.572 4.170 -0.014 0.000 0.291 356 I C -0.719 175.373 176.117 -0.041 0.000 1.006 356 I CA -0.590 60.793 61.300 0.138 0.000 1.265 356 I CB 0.660 38.759 38.000 0.166 0.000 1.387 356 I HN 0.485 nan 8.210 nan 0.000 0.475 357 F N 3.399 123.533 119.950 0.307 0.000 2.450 357 F HA 0.464 4.982 4.527 -0.015 0.000 0.332 357 F C 0.456 176.412 175.800 0.259 0.000 1.093 357 F CA -0.452 57.708 58.000 0.267 0.000 1.003 357 F CB 1.952 41.128 39.000 0.294 0.000 1.151 357 F HN 0.260 nan 8.300 nan 0.000 0.474 358 T N 3.100 117.861 114.554 0.346 0.000 2.840 358 T HA 0.254 4.596 4.350 -0.014 0.000 0.287 358 T C -0.423 174.392 174.700 0.191 0.000 0.991 358 T CA -0.841 61.410 62.100 0.252 0.000 0.964 358 T CB 0.790 69.774 68.868 0.193 0.000 0.954 358 T HN 0.606 nan 8.240 nan 0.000 0.438 359 N N 0.335 119.154 118.700 0.199 0.000 2.776 359 N HA -0.135 4.596 4.740 -0.014 0.000 0.250 359 N C 0.061 175.687 175.510 0.193 0.000 1.112 359 N CA 1.070 54.242 53.050 0.203 0.000 0.733 359 N CB -1.807 36.666 38.487 -0.023 0.000 1.097 359 N HN 0.690 nan 8.380 nan 0.000 0.558 360 V N -3.312 116.761 119.914 0.265 0.000 3.109 360 V HA 0.937 5.048 4.120 -0.014 0.000 0.317 360 V C 0.904 177.154 176.094 0.260 0.000 1.074 360 V CA -0.598 61.876 62.300 0.290 0.000 1.033 360 V CB 1.760 33.844 31.823 0.436 0.000 1.111 360 V HN 0.280 nan 8.190 nan 0.000 0.458 361 A N 1.014 123.959 122.820 0.208 0.000 2.322 361 A HA 0.581 4.892 4.320 -0.014 0.000 0.269 361 A C 0.051 177.692 177.584 0.095 0.000 1.094 361 A CA -0.380 51.733 52.037 0.127 0.000 0.807 361 A CB 0.400 19.436 19.000 0.061 0.000 1.047 361 A HN 1.025 nan 8.150 nan 0.000 0.487 362 E N 0.534 120.768 120.200 0.057 0.000 2.187 362 E HA 0.445 4.787 4.350 -0.014 0.000 0.268 362 E C -0.288 176.299 176.600 -0.021 0.000 0.896 362 E CA -0.526 55.886 56.400 0.019 0.000 0.766 362 E CB 1.231 30.951 29.700 0.032 0.000 1.142 362 E HN 0.790 nan 8.360 nan 0.000 0.408 363 T N 0.574 115.096 114.554 -0.054 0.000 2.899 363 T HA 0.097 4.439 4.350 -0.014 0.000 0.284 363 T C 1.349 176.002 174.700 -0.079 0.000 1.004 363 T CA -0.114 61.933 62.100 -0.088 0.000 1.043 363 T CB 1.447 70.251 68.868 -0.107 0.000 1.013 363 T HN 0.431 nan 8.240 nan 0.000 0.518 364 S N 0.299 115.954 115.700 -0.076 0.000 2.469 364 S HA -0.144 4.318 4.470 -0.014 0.000 0.238 364 S C 1.173 175.727 174.600 -0.077 0.000 0.998 364 S CA 0.916 59.078 58.200 -0.064 0.000 0.957 364 S CB -0.598 62.569 63.200 -0.055 0.000 0.764 364 S HN 0.925 nan 8.310 nan 0.000 0.514 365 D N 0.213 120.553 120.400 -0.100 0.000 2.388 365 D HA 0.269 4.900 4.640 -0.014 0.000 0.221 365 D C 1.159 177.355 176.300 -0.174 0.000 1.133 365 D CA 0.339 54.266 54.000 -0.121 0.000 0.831 365 D CB -0.449 40.281 40.800 -0.116 0.000 0.962 365 D HN 0.540 nan 8.370 nan 0.000 0.502 366 G N -0.686 108.015 108.800 -0.165 0.000 2.132 366 G HA2 -0.095 3.857 3.960 -0.014 0.000 0.228 366 G HA3 -0.095 3.857 3.960 -0.014 0.000 0.228 366 G C 0.492 175.205 174.900 -0.311 0.000 1.000 366 G CA -0.159 44.821 45.100 -0.201 0.000 0.693 366 G HN 0.781 nan 8.290 nan 0.000 0.515 367 G N -1.418 107.223 108.800 -0.265 0.000 2.552 367 G HA2 0.897 4.849 3.960 -0.014 0.000 0.318 367 G HA3 0.897 4.849 3.960 -0.014 0.000 0.318 367 G C 0.210 175.091 174.900 -0.031 0.000 1.240 367 G CA 0.100 45.065 45.100 -0.225 0.000 1.002 367 G HN 1.514 nan 8.290 nan 0.000 0.493 368 V N -2.503 117.421 119.914 0.017 0.000 2.850 368 V HA 0.848 4.960 4.120 -0.014 0.000 0.315 368 V C -0.952 174.974 176.094 -0.281 0.000 1.064 368 V CA -1.146 61.037 62.300 -0.195 0.000 0.979 368 V CB 1.490 33.002 31.823 -0.517 0.000 1.039 368 V HN 0.736 nan 8.190 nan 0.000 0.452 369 Y N 2.593 122.641 120.300 -0.420 0.000 2.581 369 Y HA 0.780 5.321 4.550 -0.014 0.000 0.337 369 Y C -1.477 174.264 175.900 -0.265 0.000 1.108 369 Y CA -0.905 56.889 58.100 -0.509 0.000 1.033 369 Y CB 2.204 40.501 38.460 -0.272 0.000 1.318 369 Y HN 1.112 nan 8.280 nan 0.000 0.459 370 W N 1.471 122.496 121.300 -0.457 0.000 2.982 370 W HA 0.586 5.237 4.660 -0.016 0.000 0.344 370 W C -1.652 174.630 176.519 -0.395 0.000 1.215 370 W CA -1.094 56.069 57.345 -0.304 0.000 1.182 370 W CB 0.155 29.513 29.460 -0.170 0.000 1.437 370 W HN 0.393 nan 8.180 nan 0.000 0.570 371 E N 0.992 121.252 120.200 0.100 0.000 2.465 371 E HA 0.396 4.738 4.350 -0.014 0.000 0.260 371 E C 1.161 177.851 176.600 0.149 0.000 0.980 371 E CA 2.318 58.762 56.400 0.075 0.000 0.927 371 E CB 0.269 30.009 29.700 0.067 0.000 0.934 371 E HN 1.193 nan 8.360 nan 0.000 0.459 372 G N 3.087 111.928 108.800 0.069 0.000 2.162 372 G HA2 -0.343 3.609 3.960 -0.014 0.000 0.260 372 G HA3 -0.343 3.609 3.960 -0.014 0.000 0.260 372 G C 0.888 175.831 174.900 0.072 0.000 0.976 372 G CA 0.321 45.468 45.100 0.079 0.000 0.655 372 G HN 0.626 nan 8.290 nan 0.000 0.533 373 I N 0.513 121.046 120.570 -0.063 0.000 2.756 373 I HA 0.024 4.186 4.170 -0.014 0.000 0.262 373 I C 0.752 176.756 176.117 -0.188 0.000 1.225 373 I CA 1.153 62.305 61.300 -0.246 0.000 1.472 373 I CB -0.144 37.283 38.000 -0.956 0.000 1.094 373 I HN 0.216 nan 8.210 nan 0.000 0.454 374 D N 2.660 122.980 120.400 -0.133 0.000 2.720 374 D HA -0.256 4.376 4.640 -0.014 0.000 0.229 374 D C -0.011 176.245 176.300 -0.074 0.000 1.198 374 D CA 0.973 54.929 54.000 -0.073 0.000 0.639 374 D CB -0.880 39.884 40.800 -0.060 0.000 1.003 374 D HN 0.622 nan 8.370 nan 0.000 0.411 375 E N -0.054 120.104 120.200 -0.071 0.000 2.302 375 E HA 0.369 4.710 4.350 -0.014 0.000 0.263 375 E C -2.669 173.958 176.600 0.044 0.000 0.897 375 E CA -2.057 54.321 56.400 -0.037 0.000 0.809 375 E CB 1.370 31.019 29.700 -0.086 0.000 1.270 375 E HN -0.170 nan 8.360 nan 0.000 0.410 376 P HA 0.029 nan 4.420 nan 0.000 0.266 376 P C -0.814 176.509 177.300 0.039 0.000 1.195 376 P CA 0.200 63.327 63.100 0.046 0.000 0.768 376 P CB 0.482 32.192 31.700 0.017 0.000 0.838 377 L N 1.716 122.957 121.223 0.030 0.000 2.343 377 L HA 0.553 4.885 4.340 -0.014 0.000 0.275 377 L C 0.795 177.652 176.870 -0.022 0.000 1.056 377 L CA -1.232 53.602 54.840 -0.011 0.000 0.804 377 L CB 1.229 43.251 42.059 -0.062 0.000 1.203 377 L HN 0.392 nan 8.230 nan 0.000 0.440 378 A N 4.074 126.876 122.820 -0.030 0.000 2.531 378 A HA 0.316 4.628 4.320 -0.014 0.000 0.236 378 A C -2.169 175.394 177.584 -0.035 0.000 1.062 378 A CA -0.821 51.198 52.037 -0.030 0.000 0.760 378 A CB -0.690 18.290 19.000 -0.033 0.000 0.995 378 A HN 0.447 nan 8.150 nan 0.000 0.501 379 P HA 0.270 nan 4.420 nan 0.000 0.267 379 P C 0.919 178.198 177.300 -0.035 0.000 1.205 379 P CA 1.298 64.379 63.100 -0.032 0.000 0.765 379 P CB 0.913 32.597 31.700 -0.026 0.000 0.828 380 G N 1.678 110.455 108.800 -0.039 0.000 2.279 380 G HA2 -0.216 3.736 3.960 -0.014 0.000 0.223 380 G HA3 -0.216 3.736 3.960 -0.014 0.000 0.223 380 G C -0.054 174.818 174.900 -0.047 0.000 1.015 380 G CA -0.120 44.956 45.100 -0.040 0.000 0.621 380 G HN 0.540 nan 8.290 nan 0.000 0.506 381 V N 3.454 123.335 119.914 -0.055 0.000 2.479 381 V HA 0.499 4.610 4.120 -0.014 0.000 0.281 381 V C 1.107 177.154 176.094 -0.079 0.000 1.031 381 V CA 0.820 63.079 62.300 -0.069 0.000 1.038 381 V CB 0.703 32.480 31.823 -0.077 0.000 0.981 381 V HN 0.839 nan 8.190 nan 0.000 0.478 382 T N 3.408 117.919 114.554 -0.071 0.000 2.950 382 T HA 0.812 5.153 4.350 -0.014 0.000 0.288 382 T C -0.581 174.079 174.700 -0.067 0.000 1.035 382 T CA -0.795 61.269 62.100 -0.061 0.000 1.028 382 T CB 1.824 70.671 68.868 -0.035 0.000 1.109 382 T HN 0.297 nan 8.240 nan 0.000 0.514 383 I N 1.184 121.740 120.570 -0.023 0.000 2.433 383 I HA 0.348 4.510 4.170 -0.014 0.000 0.292 383 I C -0.056 176.110 176.117 0.080 0.000 1.001 383 I CA -0.784 60.515 61.300 -0.002 0.000 1.119 383 I CB 2.230 40.240 38.000 0.015 0.000 1.289 383 I HN 0.655 nan 8.210 nan 0.000 0.438 384 T N 4.463 119.045 114.554 0.046 0.000 2.744 384 T HA 0.256 4.598 4.350 -0.014 0.000 0.291 384 T C 0.370 175.105 174.700 0.058 0.000 0.957 384 T CA -0.578 61.559 62.100 0.062 0.000 1.002 384 T CB 0.986 69.875 68.868 0.036 0.000 0.919 384 T HN 0.767 nan 8.240 nan 0.000 0.468 385 S N 3.988 119.726 115.700 0.065 0.000 2.606 385 S HA 0.085 4.547 4.470 -0.014 0.000 0.257 385 S C 1.580 176.216 174.600 0.060 0.000 1.327 385 S CA -0.839 57.364 58.200 0.005 0.000 0.984 385 S CB 0.285 63.470 63.200 -0.024 0.000 0.941 385 S HN 0.912 nan 8.310 nan 0.000 0.576 386 W N 0.428 121.707 121.300 -0.035 0.000 2.538 386 W HA 0.090 4.741 4.660 -0.015 0.000 0.254 386 W C 0.470 176.990 176.519 0.002 0.000 1.249 386 W CA 0.524 57.870 57.345 0.002 0.000 1.253 386 W CB -0.782 28.687 29.460 0.015 0.000 1.130 386 W HN 0.601 nan 8.180 nan 0.000 0.618 387 K N 1.246 121.220 120.400 -0.709 0.000 2.437 387 K HA -0.068 4.243 4.320 -0.014 0.000 0.198 387 K C 0.314 176.739 176.600 -0.292 0.000 1.024 387 K CA 0.101 55.962 56.287 -0.710 0.000 1.148 387 K CB -0.557 31.492 32.500 -0.751 0.000 0.860 387 K HN -0.066 nan 8.250 nan 0.000 0.515 388 N N 2.078 120.686 118.700 -0.152 0.000 2.738 388 N HA -0.187 4.545 4.740 -0.014 0.000 0.249 388 N C -1.483 174.002 175.510 -0.042 0.000 1.047 388 N CA 1.008 54.022 53.050 -0.059 0.000 0.707 388 N CB -0.881 37.581 38.487 -0.042 0.000 0.937 388 N HN 0.246 nan 8.380 nan 0.000 0.545 389 K N -0.031 120.355 120.400 -0.024 0.000 2.477 389 K HA 0.277 4.588 4.320 -0.014 0.000 0.255 389 K C -0.616 176.029 176.600 0.075 0.000 0.952 389 K CA -0.802 55.493 56.287 0.013 0.000 0.826 389 K CB 1.627 34.126 32.500 -0.001 0.000 1.331 389 K HN 0.241 nan 8.250 nan 0.000 0.437 390 E N 1.389 121.629 120.200 0.067 0.000 2.452 390 E HA -0.045 4.296 4.350 -0.014 0.000 0.261 390 E C -1.343 175.359 176.600 0.170 0.000 0.987 390 E CA 0.324 56.778 56.400 0.090 0.000 0.926 390 E CB 0.573 30.294 29.700 0.035 0.000 0.934 390 E HN 0.352 nan 8.360 nan 0.000 0.452 391 W N 3.563 124.847 121.300 -0.026 0.000 2.915 391 W HA 0.410 5.058 4.660 -0.020 0.000 0.337 391 W C -1.069 175.432 176.519 -0.030 0.000 1.102 391 W CA -0.680 56.658 57.345 -0.012 0.000 1.224 391 W CB 1.296 30.767 29.460 0.019 0.000 1.416 391 W HN 0.443 nan 8.180 nan 0.000 0.503 392 R N 4.462 124.483 120.500 -0.800 0.000 2.750 392 R HA 0.334 4.666 4.340 -0.014 0.000 0.281 392 R C -1.986 173.474 176.300 -1.400 0.000 0.972 392 R CA -1.743 53.914 56.100 -0.739 0.000 0.912 392 R CB 1.922 31.962 30.300 -0.434 0.000 1.187 392 R HN 0.165 nan 8.270 nan 0.000 0.464 393 P HA -0.117 nan 4.420 nan 0.000 0.229 393 P C 0.349 177.459 177.300 -0.316 0.000 1.150 393 P CA 1.062 63.910 63.100 -0.420 0.000 0.765 393 P CB 0.381 32.068 31.700 -0.020 0.000 0.783 394 Q N -1.395 118.176 119.800 -0.381 0.000 2.247 394 Q HA 0.089 4.421 4.340 -0.014 0.000 0.211 394 Q C -0.009 175.861 176.000 -0.216 0.000 0.861 394 Q CA 0.108 55.785 55.803 -0.210 0.000 0.949 394 Q CB -0.023 28.626 28.738 -0.148 0.000 1.115 394 Q HN 0.215 nan 8.270 nan 0.000 0.507 395 D N 0.060 120.230 120.400 -0.384 0.000 2.362 395 D HA -0.052 4.579 4.640 -0.014 0.000 0.242 395 D C 1.054 177.333 176.300 -0.035 0.000 1.132 395 D CA 0.023 53.871 54.000 -0.254 0.000 0.907 395 D CB 1.219 41.761 40.800 -0.430 0.000 1.195 395 D HN 0.036 nan 8.370 nan 0.000 0.429 396 E N 1.154 121.369 120.200 0.025 0.000 2.038 396 E HA -0.181 4.160 4.350 -0.014 0.000 0.195 396 E C -0.031 176.670 176.600 0.170 0.000 1.000 396 E CA 1.414 57.864 56.400 0.083 0.000 0.803 396 E CB 0.185 29.922 29.700 0.061 0.000 0.750 396 E HN 0.333 nan 8.360 nan 0.000 0.448 397 E N 1.122 121.464 120.200 0.236 0.000 2.313 397 E HA 0.263 4.604 4.350 -0.014 0.000 0.272 397 E C -2.208 174.700 176.600 0.514 0.000 1.038 397 E CA -2.399 54.186 56.400 0.309 0.000 0.863 397 E CB 0.646 30.511 29.700 0.274 0.000 1.060 397 E HN 0.171 nan 8.360 nan 0.000 0.402 398 P HA 0.038 nan 4.420 nan 0.000 0.274 398 P C 0.943 178.215 177.300 -0.046 0.000 1.231 398 P CA -0.248 62.987 63.100 0.225 0.000 0.790 398 P CB 0.493 32.242 31.700 0.082 0.000 0.951 399 C N 0.197 119.054 119.300 -0.738 0.000 2.464 399 C HA 0.463 4.914 4.460 -0.014 0.000 0.278 399 C C 1.018 175.941 174.990 -0.111 0.000 1.375 399 C CA 0.311 58.735 59.018 -0.990 0.000 1.761 399 C CB -1.453 25.318 27.740 -1.614 0.000 1.944 399 C HN 0.568 nan 8.230 nan 0.000 0.509 400 A N -0.238 122.547 122.820 -0.058 0.000 2.365 400 A HA 0.602 4.913 4.320 -0.014 0.000 0.318 400 A C -0.689 176.679 177.584 -0.359 0.000 1.091 400 A CA -0.432 51.578 52.037 -0.047 0.000 0.763 400 A CB 0.088 19.124 19.000 0.060 0.000 1.248 400 A HN 0.631 nan 8.150 nan 0.000 0.442 401 H N 2.588 121.023 119.070 -1.059 0.000 2.972 401 H HA 0.181 4.732 4.556 -0.009 0.000 0.343 401 H C -1.804 173.217 175.328 -0.511 0.000 1.054 401 H CA -0.244 55.152 56.048 -1.086 0.000 1.412 401 H CB 0.903 29.700 29.762 -1.609 0.000 1.385 401 H HN 0.336 nan 8.280 nan 0.000 0.600 402 P HA -0.124 nan 4.420 nan 0.000 0.221 402 P C 0.343 177.481 177.300 -0.269 0.000 1.145 402 P CA 1.452 64.286 63.100 -0.443 0.000 0.795 402 P CB 0.244 31.684 31.700 -0.433 0.000 0.775 403 N N -0.946 117.685 118.700 -0.115 0.000 2.279 403 N HA 0.021 4.753 4.740 -0.014 0.000 0.226 403 N C -0.293 175.217 175.510 0.001 0.000 1.126 403 N CA -0.229 52.829 53.050 0.014 0.000 0.846 403 N CB -0.198 38.340 38.487 0.085 0.000 1.050 403 N HN -0.029 nan 8.380 nan 0.000 0.502 404 S N -0.285 115.365 115.700 -0.084 0.000 2.584 404 S HA 0.385 4.847 4.470 -0.014 0.000 0.270 404 S C 0.035 174.502 174.600 -0.221 0.000 1.346 404 S CA -0.405 57.736 58.200 -0.098 0.000 1.018 404 S CB 1.161 64.302 63.200 -0.098 0.000 0.899 404 S HN 0.116 nan 8.310 nan 0.000 0.542 405 R N 0.606 120.977 120.500 -0.215 0.000 2.698 405 R HA 0.460 4.792 4.340 -0.014 0.000 0.275 405 R C -1.137 174.994 176.300 -0.281 0.000 1.001 405 R CA -0.640 55.151 56.100 -0.515 0.000 0.896 405 R CB 1.298 31.033 30.300 -0.941 0.000 1.218 405 R HN 0.796 nan 8.270 nan 0.000 0.462 406 F N -1.145 118.605 119.950 -0.332 0.000 2.425 406 F HA 0.666 5.184 4.527 -0.014 0.000 0.331 406 F C 0.007 175.621 175.800 -0.309 0.000 1.085 406 F CA -1.401 56.357 58.000 -0.403 0.000 1.028 406 F CB 1.173 39.939 39.000 -0.390 0.000 1.177 406 F HN 0.325 nan 8.300 nan 0.000 0.487 407 C N 3.359 122.634 119.300 -0.041 0.000 2.437 407 C HA 0.697 5.149 4.460 -0.014 0.000 0.307 407 C C -0.485 174.545 174.990 0.067 0.000 1.093 407 C CA 0.047 59.126 59.018 0.102 0.000 1.463 407 C CB -0.440 27.398 27.740 0.163 0.000 1.926 407 C HN 1.069 nan 8.230 nan 0.000 0.420 408 T N 6.241 120.879 114.554 0.140 0.000 2.893 408 T HA 0.620 4.962 4.350 -0.014 0.000 0.291 408 T C -2.911 171.785 174.700 -0.007 0.000 1.028 408 T CA -1.241 60.906 62.100 0.078 0.000 0.995 408 T CB 1.760 70.694 68.868 0.108 0.000 1.051 408 T HN 0.444 nan 8.240 nan 0.000 0.470 409 P HA 0.202 nan 4.420 nan 0.000 0.264 409 P C 0.083 177.228 177.300 -0.258 0.000 1.193 409 P CA -0.040 62.980 63.100 -0.133 0.000 0.763 409 P CB 0.483 32.148 31.700 -0.058 0.000 0.810 410 A N 3.696 126.192 122.820 -0.540 0.000 1.933 410 A HA -0.177 4.135 4.320 -0.014 0.000 0.218 410 A C 2.115 179.321 177.584 -0.631 0.000 1.175 410 A CA 2.079 53.542 52.037 -0.958 0.000 0.628 410 A CB -1.563 16.559 19.000 -1.464 0.000 0.814 410 A HN 0.579 nan 8.150 nan 0.000 0.444 411 S N -0.524 114.984 115.700 -0.320 0.000 2.465 411 S HA -0.225 4.237 4.470 -0.014 0.000 0.241 411 S C 1.654 176.225 174.600 -0.049 0.000 1.000 411 S CA 1.452 59.615 58.200 -0.061 0.000 0.964 411 S CB -0.441 62.852 63.200 0.154 0.000 0.763 411 S HN 0.710 nan 8.310 nan 0.000 0.512 412 Q N -0.267 119.498 119.800 -0.059 0.000 2.424 412 Q HA 0.199 4.531 4.340 -0.014 0.000 0.204 412 Q C 0.622 176.619 176.000 -0.003 0.000 0.933 412 Q CA -0.033 55.763 55.803 -0.012 0.000 0.929 412 Q CB 0.045 28.784 28.738 0.001 0.000 1.037 412 Q HN 0.652 nan 8.270 nan 0.000 0.511 413 C N 3.110 122.411 119.300 0.003 0.000 2.651 413 C HA 0.084 4.536 4.460 -0.014 0.000 0.410 413 C C -0.898 174.085 174.990 -0.013 0.000 1.372 413 C CA -1.647 57.385 59.018 0.023 0.000 1.707 413 C CB 0.405 28.207 27.740 0.103 0.000 2.501 413 C HN 0.358 nan 8.230 nan 0.000 0.598 414 P HA -0.094 nan 4.420 nan 0.000 0.225 414 P C 0.586 177.885 177.300 -0.002 0.000 1.148 414 P CA 1.549 64.644 63.100 -0.008 0.000 0.779 414 P CB -0.194 31.496 31.700 -0.016 0.000 0.780 415 I N -4.937 115.628 120.570 -0.008 0.000 3.856 415 I HA 0.335 4.497 4.170 -0.014 0.000 0.330 415 I C 0.421 176.546 176.117 0.013 0.000 1.546 415 I CA -1.084 60.219 61.300 0.006 0.000 1.132 415 I CB -0.229 37.771 38.000 0.000 0.000 1.157 415 I HN -0.338 nan 8.210 nan 0.000 0.440 416 I N 2.446 123.007 120.570 -0.014 0.000 2.775 416 I HA -0.041 4.120 4.170 -0.014 0.000 0.290 416 I C 0.459 176.615 176.117 0.066 0.000 1.203 416 I CA 0.586 61.847 61.300 -0.066 0.000 1.433 416 I CB 0.226 38.049 38.000 -0.295 0.000 1.354 416 I HN 0.321 nan 8.210 nan 0.000 0.579 417 D N 8.970 129.460 120.400 0.150 0.000 2.389 417 D HA 0.154 4.786 4.640 -0.014 0.000 0.247 417 D C -1.513 174.991 176.300 0.340 0.000 1.128 417 D CA -1.044 53.108 54.000 0.254 0.000 0.884 417 D CB 1.059 42.061 40.800 0.337 0.000 1.194 417 D HN 0.360 nan 8.370 nan 0.000 0.441 418 P HA -0.122 nan 4.420 nan 0.000 0.222 418 P C 0.289 177.696 177.300 0.178 0.000 1.147 418 P CA 0.724 63.950 63.100 0.210 0.000 0.790 418 P CB 0.150 31.934 31.700 0.141 0.000 0.780 419 A N -0.333 122.609 122.820 0.202 0.000 2.379 419 A HA 0.053 4.364 4.320 -0.014 0.000 0.236 419 A C 1.761 179.399 177.584 0.089 0.000 1.272 419 A CA -0.571 51.527 52.037 0.102 0.000 0.886 419 A CB -1.548 17.500 19.000 0.082 0.000 0.962 419 A HN 0.354 nan 8.150 nan 0.000 0.504 420 W N 0.592 121.914 121.300 0.036 0.000 2.424 420 W HA -0.061 4.591 4.660 -0.013 0.000 0.264 420 W C 0.034 176.534 176.519 -0.032 0.000 1.229 420 W CA 1.328 58.682 57.345 0.015 0.000 1.208 420 W CB -0.239 29.245 29.460 0.040 0.000 1.127 420 W HN 0.501 nan 8.180 nan 0.000 0.588 421 E N 0.671 120.486 120.200 -0.641 0.000 2.603 421 E HA 0.042 4.384 4.350 -0.014 0.000 0.211 421 E C 0.108 176.492 176.600 -0.359 0.000 0.995 421 E CA -0.175 55.801 56.400 -0.707 0.000 0.990 421 E CB 0.649 29.762 29.700 -0.978 0.000 1.036 421 E HN -0.114 nan 8.360 nan 0.000 0.475 422 S N 2.750 118.313 115.700 -0.229 0.000 2.516 422 S HA 0.043 4.504 4.470 -0.014 0.000 0.282 422 S C -1.241 173.271 174.600 -0.148 0.000 1.286 422 S CA -1.335 56.771 58.200 -0.156 0.000 1.066 422 S CB 0.696 63.831 63.200 -0.108 0.000 0.884 422 S HN 0.063 nan 8.310 nan 0.000 0.491 423 P HA -0.172 nan 4.420 nan 0.000 0.216 423 P C 1.178 178.419 177.300 -0.098 0.000 1.150 423 P CA 1.078 64.109 63.100 -0.114 0.000 0.837 423 P CB -0.002 31.640 31.700 -0.096 0.000 0.786 424 E N 0.638 120.784 120.200 -0.090 0.000 2.427 424 E HA 0.046 4.387 4.350 -0.014 0.000 0.196 424 E C 1.072 177.616 176.600 -0.094 0.000 1.028 424 E CA 0.968 57.319 56.400 -0.082 0.000 0.864 424 E CB -0.897 28.762 29.700 -0.068 0.000 0.813 424 E HN 0.219 nan 8.360 nan 0.000 0.514 425 G N 0.462 109.195 108.800 -0.111 0.000 2.796 425 G HA2 -0.203 3.749 3.960 -0.014 0.000 0.571 425 G HA3 -0.203 3.749 3.960 -0.014 0.000 0.571 425 G C -0.180 174.608 174.900 -0.187 0.000 1.370 425 G CA 0.027 45.049 45.100 -0.130 0.000 0.856 425 G HN 0.803 nan 8.290 nan 0.000 0.538 426 V N -2.372 117.380 119.914 -0.269 0.000 2.581 426 V HA 0.870 4.981 4.120 -0.014 0.000 0.303 426 V C -2.180 173.727 176.094 -0.311 0.000 1.041 426 V CA -1.950 60.053 62.300 -0.495 0.000 0.907 426 V CB 2.205 33.342 31.823 -1.144 0.000 0.994 426 V HN 0.908 nan 8.190 nan 0.000 0.442 427 P HA 0.335 nan 4.420 nan 0.000 0.280 427 P C -0.455 176.875 177.300 0.049 0.000 1.300 427 P CA -0.126 62.946 63.100 -0.048 0.000 0.785 427 P CB 0.618 32.323 31.700 0.008 0.000 0.874 428 I N 4.065 124.653 120.570 0.030 0.000 2.471 428 I HA 0.084 4.245 4.170 -0.014 0.000 0.286 428 I C 1.416 177.590 176.117 0.095 0.000 1.079 428 I CA 0.354 61.708 61.300 0.091 0.000 1.398 428 I CB 0.013 38.052 38.000 0.065 0.000 1.403 428 I HN 0.435 nan 8.210 nan 0.000 0.530 429 E N 3.679 123.949 120.200 0.117 0.000 2.490 429 E HA 0.259 4.601 4.350 -0.014 0.000 0.209 429 E C 0.720 177.402 176.600 0.137 0.000 0.971 429 E CA -0.109 56.348 56.400 0.095 0.000 0.988 429 E CB 1.212 30.934 29.700 0.037 0.000 1.029 429 E HN 0.804 nan 8.360 nan 0.000 0.496 430 G N 1.008 109.911 108.800 0.172 0.000 2.733 430 G HA2 0.595 4.547 3.960 -0.014 0.000 0.297 430 G HA3 0.595 4.547 3.960 -0.014 0.000 0.297 430 G C -1.280 173.736 174.900 0.194 0.000 1.422 430 G CA -0.626 44.621 45.100 0.244 0.000 0.942 430 G HN -0.044 nan 8.290 nan 0.000 0.510 431 I N 1.365 122.029 120.570 0.156 0.000 2.465 431 I HA 0.447 4.608 4.170 -0.014 0.000 0.291 431 I C -0.607 175.406 176.117 -0.174 0.000 1.014 431 I CA -0.760 60.529 61.300 -0.018 0.000 1.093 431 I CB 2.184 40.178 38.000 -0.010 0.000 1.267 431 I HN 0.206 nan 8.210 nan 0.000 0.431 432 I N 5.852 126.262 120.570 -0.266 0.000 2.389 432 I HA 0.399 4.561 4.170 -0.014 0.000 0.288 432 I C -0.852 175.020 176.117 -0.409 0.000 0.999 432 I CA -0.429 60.747 61.300 -0.207 0.000 1.129 432 I CB 1.198 39.193 38.000 -0.008 0.000 1.288 432 I HN 0.272 nan 8.210 nan 0.000 0.444 433 F N 3.348 123.266 119.950 -0.053 0.000 2.470 433 F HA 0.880 5.399 4.527 -0.015 0.000 0.329 433 F C 0.786 176.414 175.800 -0.286 0.000 1.072 433 F CA -0.889 57.040 58.000 -0.119 0.000 0.989 433 F CB 2.024 40.944 39.000 -0.134 0.000 1.193 433 F HN 0.465 nan 8.300 nan 0.000 0.481 434 G N -0.511 108.318 108.800 0.047 0.000 2.489 434 G HA2 0.574 4.525 3.960 -0.014 0.000 0.291 434 G HA3 0.574 4.525 3.960 -0.014 0.000 0.291 434 G C -1.400 173.399 174.900 -0.168 0.000 1.487 434 G CA -0.157 44.702 45.100 -0.401 0.000 0.795 434 G HN 0.993 nan 8.290 nan 0.000 0.513 435 G N -0.847 107.813 108.800 -0.235 0.000 2.663 435 G HA2 0.626 4.578 3.960 -0.014 0.000 0.299 435 G HA3 0.626 4.578 3.960 -0.014 0.000 0.299 435 G C -1.315 173.554 174.900 -0.051 0.000 1.372 435 G CA -0.987 44.053 45.100 -0.100 0.000 0.781 435 G HN 0.586 nan 8.290 nan 0.000 0.491 436 R N 1.047 121.478 120.500 -0.116 0.000 2.205 436 R HA 0.435 4.767 4.340 -0.014 0.000 0.342 436 R C -0.633 175.649 176.300 -0.030 0.000 1.058 436 R CA -0.528 55.482 56.100 -0.150 0.000 0.904 436 R CB 0.815 30.843 30.300 -0.453 0.000 1.089 436 R HN 0.126 nan 8.270 nan 0.000 0.471 437 R N 3.908 124.449 120.500 0.069 0.000 2.412 437 R HA 0.194 4.526 4.340 -0.014 0.000 0.304 437 R C -2.022 174.301 176.300 0.038 0.000 1.066 437 R CA -2.238 53.881 56.100 0.031 0.000 0.923 437 R CB 1.543 31.861 30.300 0.030 0.000 1.156 437 R HN 0.399 nan 8.270 nan 0.000 0.513 438 P HA -0.054 nan 4.420 nan 0.000 0.225 438 P C -0.145 177.111 177.300 -0.073 0.000 1.148 438 P CA 0.809 63.895 63.100 -0.022 0.000 0.779 438 P CB 0.589 32.252 31.700 -0.062 0.000 0.780 439 A N -1.775 120.980 122.820 -0.108 0.000 2.475 439 A HA 0.644 4.955 4.320 -0.014 0.000 0.301 439 A C 0.918 178.140 177.584 -0.603 0.000 1.059 439 A CA -0.013 51.881 52.037 -0.238 0.000 0.710 439 A CB 1.198 20.119 19.000 -0.133 0.000 1.288 439 A HN 0.160 nan 8.150 nan 0.000 0.408 440 G N -0.264 108.036 108.800 -0.832 0.000 2.363 440 G HA2 -0.164 3.788 3.960 -0.014 0.000 0.238 440 G HA3 -0.164 3.788 3.960 -0.014 0.000 0.238 440 G C 0.282 174.755 174.900 -0.712 0.000 1.062 440 G CA 0.381 44.534 45.100 -1.578 0.000 0.629 440 G HN 1.691 nan 8.290 nan 0.000 0.514 441 V N 3.488 123.181 119.914 -0.368 0.000 2.350 441 V HA 0.473 4.584 4.120 -0.014 0.000 0.276 441 V C -1.541 174.573 176.094 0.033 0.000 1.028 441 V CA -1.518 60.821 62.300 0.065 0.000 0.860 441 V CB 1.455 33.367 31.823 0.148 0.000 0.990 441 V HN 0.144 nan 8.190 nan 0.000 0.453 442 P HA -0.020 nan 4.420 nan 0.000 0.269 442 P C 0.892 178.044 177.300 -0.247 0.000 1.211 442 P CA -0.181 62.844 63.100 -0.125 0.000 0.781 442 P CB 0.617 32.351 31.700 0.057 0.000 0.877 443 L N 3.275 124.073 121.223 -0.708 0.000 2.013 443 L HA -0.083 4.249 4.340 -0.014 0.000 0.212 443 L C 0.565 177.197 176.870 -0.396 0.000 1.073 443 L CA 2.143 56.573 54.840 -0.683 0.000 0.753 443 L CB -0.231 41.154 42.059 -1.124 0.000 0.890 443 L HN 0.228 nan 8.230 nan 0.000 0.432 444 V N -0.982 118.830 119.914 -0.171 0.000 2.969 444 V HA 0.449 4.561 4.120 -0.014 0.000 0.304 444 V C -1.610 174.675 176.094 0.320 0.000 1.192 444 V CA -0.626 61.705 62.300 0.051 0.000 0.962 444 V CB 1.913 33.744 31.823 0.014 0.000 1.045 444 V HN 0.367 nan 8.190 nan 0.000 0.428 445 Y N 2.433 122.902 120.300 0.283 0.000 2.615 445 Y HA 0.830 5.370 4.550 -0.016 0.000 0.341 445 Y C -0.817 175.401 175.900 0.530 0.000 1.089 445 Y CA -1.050 57.266 58.100 0.361 0.000 1.049 445 Y CB 1.692 40.289 38.460 0.228 0.000 1.296 445 Y HN 0.706 nan 8.280 nan 0.000 0.470 446 E N 2.029 122.644 120.200 0.692 0.000 2.187 446 E HA 0.690 5.031 4.350 -0.014 0.000 0.268 446 E C -0.912 175.932 176.600 0.406 0.000 0.896 446 E CA -1.146 55.529 56.400 0.457 0.000 0.766 446 E CB 1.732 31.741 29.700 0.514 0.000 1.142 446 E HN 1.055 nan 8.360 nan 0.000 0.408 447 A N 4.421 127.357 122.820 0.194 0.000 2.483 447 A HA 0.091 4.402 4.320 -0.014 0.000 0.238 447 A C 0.943 178.763 177.584 0.394 0.000 1.070 447 A CA -0.017 52.173 52.037 0.256 0.000 0.770 447 A CB 0.229 19.247 19.000 0.030 0.000 1.008 447 A HN 0.866 nan 8.150 nan 0.000 0.497 448 L N 1.340 122.919 121.223 0.593 0.000 2.313 448 L HA 0.052 4.384 4.340 -0.014 0.000 0.214 448 L C 1.027 178.060 176.870 0.272 0.000 1.119 448 L CA 1.161 56.187 54.840 0.310 0.000 0.809 448 L CB -0.517 41.553 42.059 0.020 0.000 0.933 448 L HN 0.915 nan 8.230 nan 0.000 0.449 449 S N -3.847 112.030 115.700 0.295 0.000 2.636 449 S HA 0.033 4.494 4.470 -0.014 0.000 0.266 449 S C -0.071 174.718 174.600 0.316 0.000 1.147 449 S CA -0.927 57.433 58.200 0.267 0.000 0.815 449 S CB 0.223 63.557 63.200 0.223 0.000 1.119 449 S HN 0.209 nan 8.310 nan 0.000 0.470 450 W N 1.336 122.724 121.300 0.147 0.000 2.335 450 W HA -0.175 4.478 4.660 -0.012 0.000 0.311 450 W C 1.692 178.346 176.519 0.224 0.000 1.213 450 W CA 2.336 59.788 57.345 0.179 0.000 1.274 450 W CB -0.380 29.163 29.460 0.138 0.000 1.148 450 W HN 0.906 nan 8.180 nan 0.000 0.498 451 Q N -1.359 118.606 119.800 0.274 0.000 2.124 451 Q HA -0.281 4.051 4.340 -0.014 0.000 0.202 451 Q C 2.329 178.444 176.000 0.192 0.000 0.977 451 Q CA 1.838 57.756 55.803 0.191 0.000 0.850 451 Q CB -0.819 28.053 28.738 0.224 0.000 0.901 451 Q HN 0.509 nan 8.270 nan 0.000 0.429 452 H N -0.274 118.861 119.070 0.108 0.000 2.357 452 H HA -0.080 4.468 4.556 -0.014 0.000 0.301 452 H C 2.018 177.448 175.328 0.169 0.000 1.082 452 H CA 1.050 57.178 56.048 0.132 0.000 1.342 452 H CB 0.096 29.918 29.762 0.099 0.000 1.389 452 H HN 0.326 nan 8.280 nan 0.000 0.511 453 G N 0.404 109.203 108.800 -0.002 0.000 2.440 453 G HA2 -0.231 3.720 3.960 -0.014 0.000 0.218 453 G HA3 -0.231 3.720 3.960 -0.014 0.000 0.218 453 G C 1.827 176.632 174.900 -0.157 0.000 1.154 453 G CA 1.066 46.103 45.100 -0.105 0.000 0.767 453 G HN 0.339 nan 8.290 nan 0.000 0.552 454 V N 0.420 120.213 119.914 -0.201 0.000 2.343 454 V HA -0.130 3.982 4.120 -0.014 0.000 0.247 454 V C 2.305 178.378 176.094 -0.036 0.000 1.051 454 V CA 1.783 64.015 62.300 -0.113 0.000 1.036 454 V CB -0.648 31.153 31.823 -0.038 0.000 0.654 454 V HN 0.402 nan 8.190 nan 0.000 0.451 455 F N 0.865 120.769 119.950 -0.076 0.000 2.095 455 F HA -0.201 4.319 4.527 -0.013 0.000 0.298 455 F C 2.264 177.996 175.800 -0.113 0.000 1.104 455 F CA 1.939 59.925 58.000 -0.023 0.000 1.232 455 F CB -0.459 38.584 39.000 0.071 0.000 0.987 455 F HN -0.045 nan 8.300 nan 0.000 0.475 456 V N 0.800 120.581 119.914 -0.221 0.000 2.282 456 V HA -0.314 3.798 4.120 -0.014 0.000 0.249 456 V C 2.763 178.495 176.094 -0.603 0.000 1.057 456 V CA 2.083 64.194 62.300 -0.315 0.000 1.032 456 V CB -1.727 30.019 31.823 -0.128 0.000 0.645 456 V HN 0.598 nan 8.190 nan 0.000 0.447 457 G N -0.521 107.630 108.800 -1.082 0.000 2.459 457 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.217 457 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.217 457 G C 1.757 176.010 174.900 -1.078 0.000 1.183 457 G CA 1.042 44.824 45.100 -2.197 0.000 0.776 457 G HN 0.642 nan 8.290 nan 0.000 0.552 458 A N 0.730 123.302 122.820 -0.412 0.000 2.019 458 A HA 0.324 4.636 4.320 -0.014 0.000 0.219 458 A C 2.545 180.107 177.584 -0.037 0.000 1.164 458 A CA 2.106 54.243 52.037 0.167 0.000 0.644 458 A CB -0.405 18.741 19.000 0.244 0.000 0.805 458 A HN 0.859 nan 8.150 nan 0.000 0.449 459 A N -1.310 121.289 122.820 -0.369 0.000 2.275 459 A HA 0.453 4.765 4.320 -0.014 0.000 0.212 459 A C 0.950 178.395 177.584 -0.232 0.000 1.201 459 A CA -0.307 51.530 52.037 -0.333 0.000 0.843 459 A CB -0.427 18.186 19.000 -0.646 0.000 0.873 459 A HN 0.502 nan 8.150 nan 0.000 0.492 460 M N 1.060 120.523 119.600 -0.229 0.000 2.261 460 M HA 0.084 4.556 4.480 -0.014 0.000 0.350 460 M C 0.081 176.258 176.300 -0.206 0.000 1.343 460 M CA 1.044 56.256 55.300 -0.147 0.000 1.003 460 M CB 0.170 32.694 32.600 -0.127 0.000 1.848 460 M HN 0.292 nan 8.290 nan 0.000 0.456 461 R N 1.347 121.721 120.500 -0.210 0.000 2.744 461 R HA 0.714 5.045 4.340 -0.014 0.000 0.279 461 R C -1.229 174.974 176.300 -0.161 0.000 0.977 461 R CA -0.800 55.112 56.100 -0.313 0.000 0.906 461 R CB 2.432 32.431 30.300 -0.502 0.000 1.197 461 R HN 0.620 nan 8.270 nan 0.000 0.463 462 S N 0.468 116.074 115.700 -0.158 0.000 2.543 462 S HA 0.090 4.552 4.470 -0.014 0.000 0.271 462 S C -1.414 173.113 174.600 -0.121 0.000 1.148 462 S CA -0.784 57.348 58.200 -0.114 0.000 0.914 462 S CB 1.525 64.672 63.200 -0.089 0.000 1.096 462 S HN 0.617 nan 8.310 nan 0.000 0.471 463 E N 3.457 123.586 120.200 -0.118 0.000 2.351 463 E HA 0.448 4.789 4.350 -0.014 0.000 0.266 463 E C 0.531 177.065 176.600 -0.109 0.000 1.031 463 E CA -0.212 56.124 56.400 -0.107 0.000 0.911 463 E CB 0.735 30.375 29.700 -0.099 0.000 0.986 463 E HN 0.677 nan 8.360 nan 0.000 0.446 475 I N 5.958 126.479 120.570 -0.082 0.000 2.379 475 I HA 0.386 4.547 4.170 -0.014 0.000 0.290 475 I C 0.063 176.097 176.117 -0.137 0.000 1.063 475 I CA 0.321 61.551 61.300 -0.117 0.000 1.351 475 I CB 0.759 38.679 38.000 -0.132 0.000 1.410 475 I HN 0.434 nan 8.210 nan 0.000 0.505 476 M N 5.030 124.543 119.600 -0.145 0.000 2.664 476 M HA 0.414 4.886 4.480 -0.014 0.000 0.314 476 M C -0.122 176.039 176.300 -0.231 0.000 1.200 476 M CA -0.688 54.534 55.300 -0.131 0.000 0.916 476 M CB 1.531 34.093 32.600 -0.063 0.000 1.717 476 M HN 0.409 nan 8.290 nan 0.000 0.470 477 H N 1.042 119.959 119.070 -0.256 0.000 2.683 477 H HA 0.167 4.716 4.556 -0.013 0.000 0.339 477 H C -0.718 174.477 175.328 -0.222 0.000 1.081 477 H CA 0.656 56.475 56.048 -0.381 0.000 1.432 477 H CB 0.880 30.118 29.762 -0.874 0.000 1.462 477 H HN 0.382 nan 8.280 nan 0.000 0.557 478 D N 4.249 124.593 120.400 -0.093 0.000 2.714 478 D HA 0.150 4.782 4.640 -0.014 0.000 0.264 478 D C -2.736 173.543 176.300 -0.035 0.000 1.231 478 D CA -1.645 52.324 54.000 -0.052 0.000 0.802 478 D CB 0.918 41.698 40.800 -0.034 0.000 1.319 478 D HN 0.246 nan 8.370 nan 0.000 0.528 479 P HA 0.072 nan 4.420 nan 0.000 0.267 479 P C 0.265 177.716 177.300 0.251 0.000 1.209 479 P CA -0.054 63.084 63.100 0.063 0.000 0.763 479 P CB 0.089 31.788 31.700 -0.000 0.000 0.816 480 F N 1.549 121.421 119.950 -0.130 0.000 2.973 480 F HA -0.301 4.218 4.527 -0.014 0.000 0.299 480 F C 1.433 177.314 175.800 0.135 0.000 0.737 480 F CA 1.120 59.105 58.000 -0.025 0.000 1.151 480 F CB -2.625 36.485 39.000 0.184 0.000 1.440 480 F HN 0.583 nan 8.300 nan 0.000 0.367 481 A N -1.490 121.451 122.820 0.203 0.000 2.816 481 A HA -0.293 4.018 4.320 -0.014 0.000 0.270 481 A C 1.314 179.072 177.584 0.290 0.000 1.413 481 A CA 1.650 53.838 52.037 0.252 0.000 0.866 481 A CB -1.473 17.702 19.000 0.292 0.000 1.032 481 A HN 0.438 nan 8.150 nan 0.000 0.642 482 M N -1.505 118.085 119.600 -0.017 0.000 2.346 482 M HA 0.139 4.610 4.480 -0.014 0.000 0.280 482 M C 1.604 177.342 176.300 -0.938 0.000 1.075 482 M CA 0.519 55.556 55.300 -0.438 0.000 0.989 482 M CB -0.330 31.745 32.600 -0.875 0.000 1.447 482 M HN 0.654 nan 8.290 nan 0.000 0.511 483 R N 2.062 122.263 120.500 -0.499 0.000 2.113 483 R HA -0.155 4.177 4.340 -0.014 0.000 0.244 483 R C -1.081 174.965 176.300 -0.422 0.000 1.142 483 R CA 1.903 57.801 56.100 -0.337 0.000 0.953 483 R CB -0.943 29.265 30.300 -0.154 0.000 0.860 483 R HN 0.168 nan 8.270 nan 0.000 0.438 484 P HA 0.034 nan 4.420 nan 0.000 0.249 484 P C -0.193 176.582 177.300 -0.875 0.000 1.229 484 P CA 0.805 63.394 63.100 -0.851 0.000 0.788 484 P CB 0.159 31.130 31.700 -1.215 0.000 1.072 485 F N -3.111 116.640 119.950 -0.332 0.000 2.798 485 F HA 0.311 4.830 4.527 -0.013 0.000 0.328 485 F C 0.587 176.213 175.800 -0.290 0.000 1.098 485 F CA -1.042 56.777 58.000 -0.303 0.000 1.172 485 F CB -0.569 38.241 39.000 -0.317 0.000 1.072 485 F HN -0.313 nan 8.300 nan 0.000 0.555 486 F N 0.969 120.880 119.950 -0.064 0.000 2.578 486 F HA 0.318 4.836 4.527 -0.015 0.000 0.381 486 F C 1.719 177.472 175.800 -0.077 0.000 1.069 486 F CA -0.061 57.838 58.000 -0.168 0.000 1.231 486 F CB 0.326 39.141 39.000 -0.308 0.000 1.086 486 F HN 0.097 nan 8.300 nan 0.000 0.564 487 G N 2.922 111.845 108.800 0.204 0.000 2.650 487 G HA2 0.063 4.014 3.960 -0.014 0.000 0.214 487 G HA3 0.063 4.014 3.960 -0.014 0.000 0.214 487 G C -0.383 174.706 174.900 0.315 0.000 1.136 487 G CA 0.706 45.945 45.100 0.231 0.000 0.789 487 G HN 0.695 nan 8.290 nan 0.000 0.536 488 Y N -3.006 117.368 120.300 0.123 0.000 2.788 488 Y HA 0.464 5.007 4.550 -0.012 0.000 0.335 488 Y C -0.603 175.321 175.900 0.040 0.000 1.287 488 Y CA -2.253 55.888 58.100 0.068 0.000 1.068 488 Y CB 0.116 38.595 38.460 0.032 0.000 1.340 488 Y HN -0.160 nan 8.280 nan 0.000 0.449 489 N N 1.816 120.560 118.700 0.074 0.000 2.236 489 N HA -0.151 4.580 4.740 -0.014 0.000 0.274 489 N C 0.618 175.977 175.510 -0.252 0.000 1.339 489 N CA 0.530 53.547 53.050 -0.055 0.000 0.845 489 N CB 0.028 38.536 38.487 0.036 0.000 1.091 489 N HN 0.799 nan 8.380 nan 0.000 0.489 490 F N 4.644 124.257 119.950 -0.560 0.000 2.161 490 F HA -0.050 4.470 4.527 -0.011 0.000 0.300 490 F C 1.986 177.578 175.800 -0.346 0.000 1.089 490 F CA 1.951 59.461 58.000 -0.817 0.000 1.282 490 F CB -0.566 37.822 39.000 -1.020 0.000 1.010 490 F HN 0.543 nan 8.300 nan 0.000 0.485 491 G N 0.553 109.106 108.800 -0.412 0.000 2.418 491 G HA2 -0.228 3.724 3.960 -0.014 0.000 0.217 491 G HA3 -0.228 3.724 3.960 -0.014 0.000 0.217 491 G C 1.804 176.594 174.900 -0.183 0.000 1.158 491 G CA 0.596 45.477 45.100 -0.365 0.000 0.771 491 G HN 0.207 nan 8.290 nan 0.000 0.545 492 K N -0.125 120.250 120.400 -0.041 0.000 2.097 492 K HA -0.090 4.222 4.320 -0.014 0.000 0.206 492 K C 2.063 178.836 176.600 0.288 0.000 1.049 492 K CA 0.911 57.282 56.287 0.140 0.000 0.933 492 K CB -0.585 32.066 32.500 0.253 0.000 0.717 492 K HN 0.519 nan 8.250 nan 0.000 0.442 493 Y N 1.896 122.204 120.300 0.013 0.000 2.181 493 Y HA -0.189 4.353 4.550 -0.013 0.000 0.288 493 Y C 2.023 177.980 175.900 0.094 0.000 1.146 493 Y CA 1.358 59.489 58.100 0.051 0.000 1.164 493 Y CB -0.360 37.889 38.460 -0.351 0.000 0.982 493 Y HN -0.096 nan 8.280 nan 0.000 0.515 494 L N -0.031 121.134 121.223 -0.097 0.000 2.012 494 L HA -0.249 4.083 4.340 -0.014 0.000 0.210 494 L C 2.865 179.773 176.870 0.063 0.000 1.073 494 L CA 1.264 56.022 54.840 -0.137 0.000 0.748 494 L CB -1.146 40.726 42.059 -0.312 0.000 0.891 494 L HN 0.367 nan 8.230 nan 0.000 0.431 495 A N -0.584 122.282 122.820 0.076 0.000 1.908 495 A HA -0.323 3.989 4.320 -0.014 0.000 0.218 495 A C 2.116 179.828 177.584 0.214 0.000 1.181 495 A CA 2.167 54.289 52.037 0.142 0.000 0.627 495 A CB -0.875 18.192 19.000 0.112 0.000 0.818 495 A HN 0.521 nan 8.150 nan 0.000 0.445 496 H N -2.117 117.025 119.070 0.120 0.000 2.321 496 H HA -0.194 4.354 4.556 -0.014 0.000 0.300 496 H C 1.773 177.181 175.328 0.134 0.000 1.087 496 H CA 2.193 58.299 56.048 0.095 0.000 1.319 496 H CB -0.428 29.382 29.762 0.080 0.000 1.379 496 H HN 0.629 nan 8.280 nan 0.000 0.501 497 W N 0.520 121.788 121.300 -0.052 0.000 2.338 497 W HA -0.149 4.504 4.660 -0.012 0.000 0.304 497 W C 2.513 179.244 176.519 0.352 0.000 1.212 497 W CA 1.491 58.878 57.345 0.069 0.000 1.264 497 W CB -0.566 28.857 29.460 -0.063 0.000 1.142 497 W HN 0.203 nan 8.180 nan 0.000 0.512 498 L N 0.096 121.613 121.223 0.489 0.000 2.083 498 L HA -0.249 4.083 4.340 -0.014 0.000 0.209 498 L C 2.685 179.800 176.870 0.408 0.000 1.083 498 L CA 1.687 56.825 54.840 0.498 0.000 0.752 498 L CB -1.226 41.038 42.059 0.341 0.000 0.899 498 L HN 0.011 nan 8.230 nan 0.000 0.433 499 S N -0.463 115.397 115.700 0.267 0.000 2.442 499 S HA -0.209 4.253 4.470 -0.014 0.000 0.236 499 S C 1.912 176.546 174.600 0.056 0.000 1.007 499 S CA 1.046 59.360 58.200 0.190 0.000 0.965 499 S CB -0.464 62.798 63.200 0.104 0.000 0.773 499 S HN 0.366 nan 8.310 nan 0.000 0.504 500 M N 1.493 121.093 119.600 -0.001 0.000 2.279 500 M HA 0.029 4.501 4.480 -0.014 0.000 0.264 500 M C 2.488 178.517 176.300 -0.453 0.000 1.062 500 M CA 1.430 56.601 55.300 -0.215 0.000 1.099 500 M CB -0.556 31.978 32.600 -0.110 0.000 1.394 500 M HN 0.541 nan 8.290 nan 0.000 0.426 501 A N -1.155 121.425 122.820 -0.400 0.000 2.167 501 A HA -0.089 4.223 4.320 -0.014 0.000 0.214 501 A C 1.484 178.781 177.584 -0.479 0.000 1.151 501 A CA 0.960 52.679 52.037 -0.529 0.000 0.735 501 A CB -0.681 18.087 19.000 -0.386 0.000 0.802 501 A HN 0.486 nan 8.150 nan 0.000 0.467 502 H N -0.019 118.964 119.070 -0.145 0.000 2.586 502 H HA 0.102 4.649 4.556 -0.014 0.000 0.273 502 H C 0.003 175.251 175.328 -0.133 0.000 0.997 502 H CA 0.065 56.051 56.048 -0.103 0.000 1.177 502 H CB 0.151 29.884 29.762 -0.047 0.000 1.471 502 H HN 0.619 nan 8.280 nan 0.000 0.538 503 R N 1.608 122.029 120.500 -0.133 0.000 2.221 503 R HA 0.380 4.712 4.340 -0.014 0.000 0.327 503 R C -2.924 173.254 176.300 -0.203 0.000 1.033 503 R CA -1.918 54.083 56.100 -0.166 0.000 0.887 503 R CB 0.248 30.412 30.300 -0.226 0.000 1.057 503 R HN -0.173 nan 8.270 nan 0.000 0.455 504 P HA -0.035 nan 4.420 nan 0.000 0.267 504 P C 0.324 177.534 177.300 -0.151 0.000 1.200 504 P CA 0.926 63.953 63.100 -0.122 0.000 0.772 504 P CB 0.901 32.555 31.700 -0.076 0.000 0.855 505 A N 1.359 124.096 122.820 -0.138 0.000 3.995 505 A HA -0.161 4.151 4.320 -0.014 0.000 0.247 505 A C 1.020 178.497 177.584 -0.178 0.000 0.802 505 A CA 0.744 52.706 52.037 -0.125 0.000 1.413 505 A CB -2.597 16.350 19.000 -0.089 0.000 1.038 505 A HN 0.873 nan 8.150 nan 0.000 0.728 506 A N 0.652 123.273 122.820 -0.331 0.000 2.545 506 A HA 0.423 4.734 4.320 -0.014 0.000 0.253 506 A C 0.376 177.763 177.584 -0.329 0.000 1.074 506 A CA 1.125 52.821 52.037 -0.568 0.000 0.760 506 A CB -0.265 18.074 19.000 -1.102 0.000 1.005 506 A HN 0.533 nan 8.150 nan 0.000 0.506 507 K N 3.567 123.907 120.400 -0.100 0.000 2.257 507 K HA 0.343 4.655 4.320 -0.014 0.000 0.270 507 K C -0.874 175.761 176.600 0.058 0.000 1.098 507 K CA 0.021 56.301 56.287 -0.010 0.000 0.943 507 K CB 0.711 33.240 32.500 0.048 0.000 1.316 507 K HN 0.648 nan 8.250 nan 0.000 0.447 508 L N 5.194 126.363 121.223 -0.089 0.000 2.418 508 L HA 0.155 4.487 4.340 -0.014 0.000 0.274 508 L C -1.871 175.061 176.870 0.103 0.000 1.135 508 L CA -1.982 52.775 54.840 -0.138 0.000 0.870 508 L CB -0.259 41.566 42.059 -0.391 0.000 1.154 508 L HN 0.285 nan 8.230 nan 0.000 0.462 509 P HA 0.050 nan 4.420 nan 0.000 0.268 509 P C -0.480 176.991 177.300 0.283 0.000 1.205 509 P CA -0.410 62.842 63.100 0.254 0.000 0.771 509 P CB 0.540 32.413 31.700 0.289 0.000 0.858 510 K N 2.359 122.839 120.400 0.133 0.000 2.436 510 K HA 0.189 4.500 4.320 -0.014 0.000 0.275 510 K C -0.346 176.161 176.600 -0.155 0.000 0.999 510 K CA 0.064 56.321 56.287 -0.049 0.000 0.980 510 K CB -0.031 32.364 32.500 -0.175 0.000 0.919 510 K HN 0.387 nan 8.250 nan 0.000 0.484 511 I N 4.928 125.330 120.570 -0.280 0.000 2.404 511 I HA 0.319 4.480 4.170 -0.014 0.000 0.293 511 I C -0.757 175.070 176.117 -0.482 0.000 0.992 511 I CA -0.738 60.416 61.300 -0.243 0.000 1.149 511 I CB 0.937 38.900 38.000 -0.061 0.000 1.315 511 I HN 0.471 nan 8.210 nan 0.000 0.446 512 F N 3.686 123.627 119.950 -0.014 0.000 2.598 512 F HA 0.518 5.036 4.527 -0.015 0.000 0.327 512 F C 0.063 175.803 175.800 -0.099 0.000 1.057 512 F CA -0.727 57.269 58.000 -0.007 0.000 0.957 512 F CB 1.403 40.440 39.000 0.062 0.000 1.278 512 F HN 0.362 nan 8.300 nan 0.000 0.484 513 H N 1.209 120.163 119.070 -0.192 0.000 2.667 513 H HA 0.657 5.204 4.556 -0.016 0.000 0.353 513 H C -1.608 173.524 175.328 -0.326 0.000 1.072 513 H CA -0.635 55.199 56.048 -0.356 0.000 1.214 513 H CB 1.915 31.191 29.762 -0.810 0.000 1.600 513 H HN 0.573 nan 8.280 nan 0.000 0.527 514 V N 2.636 122.201 119.914 -0.582 0.000 2.815 514 V HA 0.532 4.644 4.120 -0.014 0.000 0.314 514 V C -0.440 175.209 176.094 -0.742 0.000 1.064 514 V CA -1.026 60.857 62.300 -0.695 0.000 0.952 514 V CB 2.018 33.134 31.823 -1.178 0.000 1.020 514 V HN 0.883 nan 8.190 nan 0.000 0.439 515 N N 1.827 120.136 118.700 -0.652 0.000 2.581 515 N HA 0.333 5.065 4.740 -0.014 0.000 0.279 515 N C -0.382 174.903 175.510 -0.375 0.000 1.124 515 N CA -0.572 52.225 53.050 -0.422 0.000 0.833 515 N CB 1.305 39.735 38.487 -0.094 0.000 1.338 515 N HN 0.926 nan 8.380 nan 0.000 0.533 516 W N 2.191 123.240 121.300 -0.417 0.000 2.800 516 W HA 0.139 4.788 4.660 -0.018 0.000 0.249 516 W C 0.288 176.435 176.519 -0.621 0.000 1.294 516 W CA -0.323 56.617 57.345 -0.675 0.000 1.402 516 W CB 0.202 28.977 29.460 -1.142 0.000 1.126 516 W HN 0.487 nan 8.180 nan 0.000 0.652 517 F N 0.002 120.054 119.950 0.171 0.000 2.654 517 F HA 0.286 4.810 4.527 -0.006 0.000 0.303 517 F C 1.241 177.222 175.800 0.301 0.000 1.099 517 F CA -0.746 57.454 58.000 0.333 0.000 1.270 517 F CB -0.399 38.762 39.000 0.269 0.000 1.024 517 F HN -0.385 nan 8.300 nan 0.000 0.548 518 R N 2.199 122.847 120.500 0.247 0.000 2.537 518 R HA 0.219 4.551 4.340 -0.014 0.000 0.280 518 R C -0.339 176.011 176.300 0.083 0.000 1.058 518 R CA 0.328 56.483 56.100 0.092 0.000 1.057 518 R CB 0.544 30.830 30.300 -0.023 0.000 0.973 518 R HN 0.160 nan 8.270 nan 0.000 0.438 519 K N 2.044 122.419 120.400 -0.040 0.000 2.340 519 K HA 0.191 4.502 4.320 -0.014 0.000 0.244 519 K C -0.594 175.958 176.600 -0.080 0.000 0.973 519 K CA -1.008 55.211 56.287 -0.114 0.000 0.828 519 K CB 1.367 33.712 32.500 -0.259 0.000 1.226 519 K HN 0.649 nan 8.250 nan 0.000 0.437 520 D N 0.335 120.695 120.400 -0.068 0.000 2.315 520 D HA 0.018 4.650 4.640 -0.014 0.000 0.275 520 D C 0.174 176.440 176.300 -0.058 0.000 1.218 520 D CA -0.079 53.892 54.000 -0.048 0.000 1.040 520 D CB 0.318 41.103 40.800 -0.026 0.000 1.123 520 D HN 0.303 nan 8.370 nan 0.000 0.541 521 K N -1.202 119.174 120.400 -0.041 0.000 2.437 521 K HA 0.124 4.435 4.320 -0.014 0.000 0.198 521 K C 0.119 176.696 176.600 -0.038 0.000 1.024 521 K CA 0.280 56.545 56.287 -0.037 0.000 1.148 521 K CB -0.614 31.872 32.500 -0.023 0.000 0.860 521 K HN 0.545 nan 8.250 nan 0.000 0.515 522 N N -1.946 116.725 118.700 -0.048 0.000 2.082 522 N HA 0.087 4.818 4.740 -0.014 0.000 0.228 522 N C 0.699 176.169 175.510 -0.066 0.000 1.341 522 N CA 0.074 53.097 53.050 -0.046 0.000 0.873 522 N CB 1.427 39.896 38.487 -0.031 0.000 1.137 522 N HN 0.024 nan 8.380 nan 0.000 0.505 523 G N 0.590 109.329 108.800 -0.101 0.000 2.168 523 G HA2 -0.262 3.690 3.960 -0.014 0.000 0.197 523 G HA3 -0.262 3.690 3.960 -0.014 0.000 0.197 523 G C -0.408 174.357 174.900 -0.225 0.000 0.997 523 G CA -0.152 44.852 45.100 -0.160 0.000 0.658 523 G HN 0.426 nan 8.290 nan 0.000 0.513 524 K N 0.655 120.962 120.400 -0.156 0.000 2.227 524 K HA 0.591 4.902 4.320 -0.014 0.000 0.280 524 K C -0.019 176.513 176.600 -0.112 0.000 1.041 524 K CA -0.850 55.373 56.287 -0.107 0.000 0.905 524 K CB 0.268 32.755 32.500 -0.021 0.000 1.068 524 K HN -0.065 nan 8.250 nan 0.000 0.470 525 F N 3.577 123.537 119.950 0.016 0.000 2.602 525 F HA -0.069 4.451 4.527 -0.011 0.000 0.367 525 F C 1.347 177.154 175.800 0.012 0.000 1.126 525 F CA -0.139 57.873 58.000 0.019 0.000 1.321 525 F CB 0.330 39.334 39.000 0.006 0.000 1.094 525 F HN 0.513 nan 8.300 nan 0.000 0.594 526 L N 3.018 124.381 121.223 0.233 0.000 2.477 526 L HA 0.043 4.375 4.340 -0.014 0.000 0.220 526 L C -0.143 176.867 176.870 0.233 0.000 1.106 526 L CA 0.426 55.365 54.840 0.164 0.000 0.851 526 L CB -0.459 41.662 42.059 0.104 0.000 0.994 526 L HN 0.545 nan 8.230 nan 0.000 0.462 527 W N 1.638 122.924 121.300 -0.024 0.000 2.683 527 W HA 0.286 4.936 4.660 -0.018 0.000 0.329 527 W C -1.591 174.800 176.519 -0.213 0.000 1.037 527 W CA -1.525 55.751 57.345 -0.115 0.000 1.232 527 W CB 2.193 31.574 29.460 -0.131 0.000 1.390 527 W HN -0.093 nan 8.180 nan 0.000 0.465 528 P HA -0.004 nan 4.420 nan 0.000 0.220 528 P C 0.989 177.784 177.300 -0.841 0.000 1.148 528 P CA 1.830 64.524 63.100 -0.677 0.000 0.803 528 P CB 0.554 31.872 31.700 -0.637 0.000 0.782 529 G N -0.420 107.725 108.800 -1.093 0.000 2.601 529 G HA2 -0.253 3.699 3.960 -0.014 0.000 0.252 529 G HA3 -0.253 3.699 3.960 -0.014 0.000 0.252 529 G C 0.078 174.538 174.900 -0.733 0.000 1.294 529 G CA -0.132 44.411 45.100 -0.927 0.000 0.912 529 G HN 0.142 nan 8.290 nan 0.000 0.574 530 F N -2.058 117.612 119.950 -0.466 0.000 2.756 530 F HA -0.282 4.236 4.527 -0.015 0.000 0.240 530 F C 2.655 178.262 175.800 -0.321 0.000 1.487 530 F CA 2.592 60.387 58.000 -0.341 0.000 1.859 530 F CB -1.822 37.024 39.000 -0.256 0.000 1.319 530 F HN 1.711 nan 8.300 nan 0.000 0.230 531 G N -0.182 108.615 108.800 -0.006 0.000 2.471 531 G HA2 -0.106 3.846 3.960 -0.014 0.000 0.219 531 G HA3 -0.106 3.846 3.960 -0.014 0.000 0.219 531 G C 1.128 175.942 174.900 -0.144 0.000 1.125 531 G CA 1.053 46.103 45.100 -0.083 0.000 0.775 531 G HN 0.565 nan 8.290 nan 0.000 0.548 532 E N 1.344 121.416 120.200 -0.214 0.000 2.347 532 E HA -0.060 4.281 4.350 -0.014 0.000 0.196 532 E C 1.796 178.336 176.600 -0.099 0.000 1.008 532 E CA 0.214 56.463 56.400 -0.251 0.000 0.852 532 E CB -0.243 29.143 29.700 -0.523 0.000 0.783 532 E HN 0.314 nan 8.360 nan 0.000 0.505 533 N N 1.194 119.774 118.700 -0.199 0.000 2.443 533 N HA -0.115 4.616 4.740 -0.014 0.000 0.184 533 N C 1.711 177.140 175.510 -0.134 0.000 1.037 533 N CA 1.087 53.975 53.050 -0.269 0.000 0.896 533 N CB -0.316 37.676 38.487 -0.826 0.000 0.959 533 N HN 0.202 nan 8.380 nan 0.000 0.442 534 S N 0.591 116.207 115.700 -0.140 0.000 2.440 534 S HA -0.097 4.365 4.470 -0.014 0.000 0.238 534 S C 1.801 176.238 174.600 -0.271 0.000 1.010 534 S CA 0.638 58.717 58.200 -0.202 0.000 0.972 534 S CB -0.170 62.896 63.200 -0.223 0.000 0.774 534 S HN 0.307 nan 8.310 nan 0.000 0.501 535 R N 0.463 120.897 120.500 -0.110 0.000 2.115 535 R HA 0.125 4.456 4.340 -0.014 0.000 0.226 535 R C 2.213 178.516 176.300 0.005 0.000 1.100 535 R CA 1.119 57.188 56.100 -0.051 0.000 0.980 535 R CB -0.553 29.836 30.300 0.147 0.000 0.875 535 R HN 0.342 nan 8.270 nan 0.000 0.445 536 V N 1.453 121.397 119.914 0.051 0.000 2.379 536 V HA -0.177 3.934 4.120 -0.014 0.000 0.245 536 V C 2.246 178.394 176.094 0.091 0.000 1.044 536 V CA 1.503 63.856 62.300 0.089 0.000 1.036 536 V CB -0.379 31.544 31.823 0.167 0.000 0.664 536 V HN 0.268 nan 8.190 nan 0.000 0.453 537 L N 0.104 121.333 121.223 0.011 0.000 2.079 537 L HA -0.235 4.097 4.340 -0.014 0.000 0.210 537 L C 2.590 179.423 176.870 -0.062 0.000 1.081 537 L CA 2.144 56.971 54.840 -0.021 0.000 0.752 537 L CB -0.670 41.375 42.059 -0.023 0.000 0.896 537 L HN 0.488 nan 8.230 nan 0.000 0.433 538 E N -0.109 119.918 120.200 -0.288 0.000 2.085 538 E HA -0.295 4.047 4.350 -0.014 0.000 0.194 538 E C 2.134 178.790 176.600 0.092 0.000 0.994 538 E CA 1.639 57.831 56.400 -0.348 0.000 0.801 538 E CB -0.264 29.070 29.700 -0.609 0.000 0.743 538 E HN 0.469 nan 8.360 nan 0.000 0.453 539 W N 1.039 122.303 121.300 -0.061 0.000 2.355 539 W HA -0.173 4.479 4.660 -0.013 0.000 0.309 539 W C 2.143 178.665 176.519 0.004 0.000 1.206 539 W CA 2.057 59.402 57.345 -0.001 0.000 1.284 539 W CB -0.256 29.192 29.460 -0.020 0.000 1.145 539 W HN 0.069 nan 8.180 nan 0.000 0.502 540 M N -0.883 118.667 119.600 -0.084 0.000 2.080 540 M HA -0.222 4.249 4.480 -0.014 0.000 0.260 540 M C 2.170 178.388 176.300 -0.135 0.000 1.068 540 M CA 2.012 57.007 55.300 -0.509 0.000 1.109 540 M CB -1.220 30.914 32.600 -0.778 0.000 1.342 540 M HN 0.039 nan 8.290 nan 0.000 0.405 541 F N 1.084 120.986 119.950 -0.080 0.000 2.065 541 F HA -0.186 4.332 4.527 -0.015 0.000 0.298 541 F C 2.331 178.146 175.800 0.024 0.000 1.112 541 F CA 2.069 60.106 58.000 0.061 0.000 1.212 541 F CB -0.948 38.202 39.000 0.250 0.000 0.975 541 F HN 0.111 nan 8.300 nan 0.000 0.476 542 G N -0.154 108.821 108.800 0.292 0.000 2.422 542 G HA2 -0.216 3.736 3.960 -0.014 0.000 0.218 542 G HA3 -0.216 3.736 3.960 -0.014 0.000 0.218 542 G C 1.845 176.707 174.900 -0.063 0.000 1.146 542 G CA 0.460 45.639 45.100 0.131 0.000 0.769 542 G HN 0.162 nan 8.290 nan 0.000 0.547 543 R N 0.223 120.580 120.500 -0.238 0.000 2.081 543 R HA 0.071 4.403 4.340 -0.014 0.000 0.235 543 R C 2.592 178.847 176.300 -0.076 0.000 1.131 543 R CA 0.636 56.583 56.100 -0.256 0.000 0.960 543 R CB -0.803 29.229 30.300 -0.445 0.000 0.856 543 R HN 0.454 nan 8.270 nan 0.000 0.436 544 I N 1.082 121.652 120.570 0.001 0.000 2.208 544 I HA -0.249 3.913 4.170 -0.014 0.000 0.245 544 I C 1.841 177.928 176.117 -0.051 0.000 1.097 544 I CA 1.379 62.672 61.300 -0.011 0.000 1.363 544 I CB -0.291 37.682 38.000 -0.045 0.000 1.051 544 I HN 0.193 nan 8.210 nan 0.000 0.413 545 E N 0.570 120.741 120.200 -0.049 0.000 2.472 545 E HA -0.063 4.279 4.350 -0.014 0.000 0.200 545 E C 1.391 177.983 176.600 -0.013 0.000 1.046 545 E CA 0.610 57.001 56.400 -0.014 0.000 0.871 545 E CB -0.046 29.692 29.700 0.063 0.000 0.806 545 E HN 0.658 nan 8.360 nan 0.000 0.533 546 G N 2.620 111.398 108.800 -0.038 0.000 2.137 546 G HA2 -0.294 3.657 3.960 -0.014 0.000 0.237 546 G HA3 -0.294 3.657 3.960 -0.014 0.000 0.237 546 G C -0.034 174.838 174.900 -0.046 0.000 1.002 546 G CA 0.465 45.537 45.100 -0.047 0.000 0.702 546 G HN 0.449 nan 8.290 nan 0.000 0.515 547 E N 0.620 120.792 120.200 -0.047 0.000 2.349 547 E HA 0.428 4.769 4.350 -0.014 0.000 0.265 547 E C -0.292 176.276 176.600 -0.054 0.000 1.064 547 E CA -0.271 56.111 56.400 -0.030 0.000 0.886 547 E CB 0.881 30.583 29.700 0.002 0.000 1.036 547 E HN 0.292 nan 8.360 nan 0.000 0.413 548 D N 2.069 122.457 120.400 -0.020 0.000 2.619 548 D HA -0.015 4.616 4.640 -0.014 0.000 0.224 548 D C -0.014 176.310 176.300 0.040 0.000 1.133 548 D CA -0.590 53.403 54.000 -0.012 0.000 1.017 548 D CB 0.034 40.834 40.800 0.001 0.000 1.077 548 D HN 0.337 nan 8.370 nan 0.000 0.503 549 S N -0.571 115.165 115.700 0.059 0.000 2.602 549 S HA 0.544 5.006 4.470 -0.014 0.000 0.240 549 S C 0.497 175.329 174.600 0.385 0.000 0.992 549 S CA -0.644 57.674 58.200 0.197 0.000 0.971 549 S CB 0.406 63.724 63.200 0.197 0.000 0.855 549 S HN 0.526 nan 8.310 nan 0.000 0.481 550 A N 1.431 124.404 122.820 0.256 0.000 2.380 550 A HA 0.797 5.108 4.320 -0.014 0.000 0.315 550 A C -0.539 177.215 177.584 0.283 0.000 1.101 550 A CA -0.848 51.413 52.037 0.374 0.000 0.771 550 A CB 1.528 20.694 19.000 0.276 0.000 1.287 550 A HN 0.357 nan 8.150 nan 0.000 0.436 551 K N 1.999 122.588 120.400 0.315 0.000 2.324 551 K HA 0.558 4.869 4.320 -0.014 0.000 0.253 551 K C -1.334 175.437 176.600 0.285 0.000 0.932 551 K CA -0.584 55.842 56.287 0.232 0.000 0.799 551 K CB 1.313 33.867 32.500 0.091 0.000 1.154 551 K HN 0.704 nan 8.250 nan 0.000 0.425 552 L N 4.542 125.884 121.223 0.198 0.000 2.360 552 L HA 0.237 4.568 4.340 -0.014 0.000 0.276 552 L C -0.041 176.781 176.870 -0.081 0.000 1.121 552 L CA 0.306 55.129 54.840 -0.029 0.000 0.845 552 L CB 1.012 43.050 42.059 -0.034 0.000 1.143 552 L HN 0.965 nan 8.230 nan 0.000 0.452 553 T N 0.859 115.317 114.554 -0.161 0.000 2.864 553 T HA 0.483 4.825 4.350 -0.014 0.000 0.289 553 T C -2.172 172.380 174.700 -0.246 0.000 1.082 553 T CA -1.552 60.446 62.100 -0.170 0.000 1.009 553 T CB 1.797 70.568 68.868 -0.161 0.000 1.234 553 T HN 0.275 nan 8.240 nan 0.000 0.526 554 P HA 0.045 nan 4.420 nan 0.000 0.219 554 P C 1.477 178.552 177.300 -0.376 0.000 1.146 554 P CA 0.828 63.754 63.100 -0.291 0.000 0.808 554 P CB -0.285 31.254 31.700 -0.269 0.000 0.779 555 I N -5.882 114.388 120.570 -0.501 0.000 3.728 555 I HA 0.416 4.577 4.170 -0.014 0.000 0.307 555 I C 0.908 176.881 176.117 -0.239 0.000 1.276 555 I CA 0.217 61.165 61.300 -0.586 0.000 1.285 555 I CB -0.186 37.076 38.000 -1.231 0.000 1.038 555 I HN -0.041 nan 8.210 nan 0.000 0.445 556 G N 0.310 109.006 108.800 -0.174 0.000 2.325 556 G HA2 0.015 3.967 3.960 -0.014 0.000 0.285 556 G HA3 0.015 3.967 3.960 -0.014 0.000 0.285 556 G C -1.504 173.368 174.900 -0.046 0.000 1.303 556 G CA -0.940 44.168 45.100 0.013 0.000 0.970 556 G HN 0.139 nan 8.290 nan 0.000 0.490 557 Y N 0.238 120.711 120.300 0.287 0.000 2.335 557 Y HA 0.462 5.004 4.550 -0.014 0.000 0.331 557 Y C 1.263 177.398 175.900 0.392 0.000 1.094 557 Y CA 0.240 58.526 58.100 0.309 0.000 1.253 557 Y CB 1.459 40.128 38.460 0.349 0.000 1.203 557 Y HN 0.680 nan 8.280 nan 0.000 0.508 558 V N 1.347 121.487 119.914 0.375 0.000 3.019 558 V HA 0.688 4.799 4.120 -0.014 0.000 0.317 558 V C -2.875 173.160 176.094 -0.098 0.000 1.094 558 V CA -3.588 58.767 62.300 0.092 0.000 1.000 558 V CB 1.783 33.611 31.823 0.008 0.000 1.060 558 V HN 0.447 nan 8.190 nan 0.000 0.443 559 P HA 0.132 nan 4.420 nan 0.000 0.264 559 P C -0.359 176.745 177.300 -0.327 0.000 1.183 559 P CA 0.212 62.895 63.100 -0.695 0.000 0.763 559 P CB 0.228 31.179 31.700 -1.249 0.000 0.807 560 K N 1.769 122.146 120.400 -0.038 0.000 2.286 560 K HA -0.023 4.289 4.320 -0.014 0.000 0.256 560 K C 0.639 177.173 176.600 -0.111 0.000 0.999 560 K CA -0.111 56.159 56.287 -0.029 0.000 0.908 560 K CB 0.222 32.759 32.500 0.062 0.000 0.981 560 K HN 0.499 nan 8.250 nan 0.000 0.500 561 E N 1.771 121.927 120.200 -0.073 0.000 2.585 561 E HA -0.195 4.147 4.350 -0.014 0.000 0.252 561 E C -0.737 175.844 176.600 -0.032 0.000 0.981 561 E CA 0.299 56.662 56.400 -0.061 0.000 0.943 561 E CB 0.094 29.779 29.700 -0.026 0.000 0.923 561 E HN 0.490 nan 8.360 nan 0.000 0.486 562 D N 1.861 122.239 120.400 -0.037 0.000 3.028 562 D HA -0.273 4.359 4.640 -0.014 0.000 0.207 562 D C 0.711 177.021 176.300 0.017 0.000 1.100 562 D CA 1.117 55.116 54.000 -0.002 0.000 0.995 562 D CB -1.446 39.363 40.800 0.015 0.000 1.108 562 D HN 0.506 nan 8.370 nan 0.000 0.421 563 A N -0.439 122.385 122.820 0.005 0.000 1.929 563 A HA 0.086 4.397 4.320 -0.014 0.000 0.216 563 A C 1.137 178.776 177.584 0.091 0.000 1.176 563 A CA 0.553 52.641 52.037 0.085 0.000 0.628 563 A CB 0.062 19.156 19.000 0.157 0.000 0.816 563 A HN 0.216 nan 8.150 nan 0.000 0.444 564 L N 0.990 122.204 121.223 -0.016 0.000 2.380 564 L HA 0.184 4.515 4.340 -0.014 0.000 0.273 564 L C 0.230 177.139 176.870 0.064 0.000 1.138 564 L CA -0.188 54.658 54.840 0.009 0.000 0.832 564 L CB 0.337 42.362 42.059 -0.056 0.000 1.124 564 L HN 0.307 nan 8.230 nan 0.000 0.454 565 N N 4.724 123.473 118.700 0.081 0.000 2.402 565 N HA 0.111 4.843 4.740 -0.014 0.000 0.252 565 N C -0.157 175.408 175.510 0.091 0.000 1.118 565 N CA 0.192 53.285 53.050 0.071 0.000 0.945 565 N CB 0.339 38.855 38.487 0.047 0.000 1.147 565 N HN 0.604 nan 8.380 nan 0.000 0.495 566 L N 1.990 123.263 121.223 0.084 0.000 3.014 566 L HA 0.300 4.631 4.340 -0.014 0.000 0.263 566 L C 0.202 177.092 176.870 0.033 0.000 1.207 566 L CA -0.405 54.487 54.840 0.088 0.000 1.017 566 L CB 0.049 42.181 42.059 0.123 0.000 1.360 566 L HN 0.109 nan 8.230 nan 0.000 0.560 567 K N 1.180 121.594 120.400 0.023 0.000 2.412 567 K HA 0.399 4.711 4.320 -0.014 0.000 0.281 567 K C 1.154 177.745 176.600 -0.015 0.000 1.027 567 K CA 0.887 57.179 56.287 0.008 0.000 0.989 567 K CB 0.410 32.919 32.500 0.015 0.000 0.935 567 K HN 0.251 nan 8.250 nan 0.000 0.475 568 G N 2.057 110.845 108.800 -0.021 0.000 2.176 568 G HA2 -0.249 3.703 3.960 -0.014 0.000 0.253 568 G HA3 -0.249 3.703 3.960 -0.014 0.000 0.253 568 G C 0.495 175.357 174.900 -0.063 0.000 0.979 568 G CA 0.221 45.298 45.100 -0.038 0.000 0.641 568 G HN 0.523 nan 8.290 nan 0.000 0.530 569 L N 0.375 121.559 121.223 -0.066 0.000 2.607 569 L HA 0.434 4.766 4.340 -0.014 0.000 0.228 569 L C 1.978 178.807 176.870 -0.068 0.000 1.123 569 L CA 0.661 55.440 54.840 -0.103 0.000 0.890 569 L CB -0.264 41.709 42.059 -0.143 0.000 1.103 569 L HN 1.008 nan 8.230 nan 0.000 0.468 570 G N 0.914 109.692 108.800 -0.037 0.000 2.512 570 G HA2 -0.332 3.619 3.960 -0.014 0.000 0.254 570 G HA3 -0.332 3.619 3.960 -0.014 0.000 0.254 570 G C -0.313 174.585 174.900 -0.004 0.000 1.199 570 G CA -0.011 45.076 45.100 -0.020 0.000 0.941 570 G HN 0.261 nan 8.290 nan 0.000 0.569 571 D N 0.826 121.227 120.400 0.001 0.000 2.453 571 D HA 0.476 5.107 4.640 -0.014 0.000 0.223 571 D C 0.551 176.868 176.300 0.028 0.000 1.183 571 D CA -0.106 53.904 54.000 0.017 0.000 0.933 571 D CB 0.527 41.336 40.800 0.014 0.000 1.038 571 D HN 0.436 nan 8.370 nan 0.000 0.513 572 V N 4.306 124.250 119.914 0.049 0.000 2.488 572 V HA 0.070 4.182 4.120 -0.014 0.000 0.277 572 V C 1.061 177.214 176.094 0.099 0.000 1.046 572 V CA -0.724 61.630 62.300 0.089 0.000 0.986 572 V CB 1.088 33.004 31.823 0.155 0.000 0.989 572 V HN 0.446 nan 8.190 nan 0.000 0.475 573 N N 4.281 123.039 118.700 0.096 0.000 2.971 573 N HA 0.001 4.732 4.740 -0.014 0.000 0.294 573 N C 1.165 176.739 175.510 0.106 0.000 1.210 573 N CA 0.043 53.142 53.050 0.082 0.000 1.157 573 N CB 0.541 39.064 38.487 0.059 0.000 1.450 573 N HN 0.618 nan 8.380 nan 0.000 0.527 574 V N -0.159 119.833 119.914 0.129 0.000 2.392 574 V HA -0.205 3.907 4.120 -0.014 0.000 0.249 574 V C 1.779 177.974 176.094 0.169 0.000 1.059 574 V CA 1.435 63.845 62.300 0.183 0.000 1.051 574 V CB -0.445 31.465 31.823 0.145 0.000 0.658 574 V HN 0.407 nan 8.190 nan 0.000 0.455 575 E N 0.057 120.317 120.200 0.101 0.000 2.072 575 E HA -0.168 4.174 4.350 -0.014 0.000 0.191 575 E C 2.389 179.031 176.600 0.069 0.000 0.985 575 E CA 1.379 57.827 56.400 0.081 0.000 0.801 575 E CB -0.160 29.571 29.700 0.051 0.000 0.750 575 E HN 0.685 nan 8.360 nan 0.000 0.452 576 E N 0.878 121.107 120.200 0.048 0.000 2.072 576 E HA -0.114 4.228 4.350 -0.014 0.000 0.191 576 E C 2.279 178.871 176.600 -0.012 0.000 0.985 576 E CA 0.388 56.797 56.400 0.015 0.000 0.801 576 E CB -0.091 29.614 29.700 0.009 0.000 0.750 576 E HN 0.242 nan 8.360 nan 0.000 0.452 577 L N -0.376 120.841 121.223 -0.010 0.000 2.093 577 L HA -0.127 4.204 4.340 -0.014 0.000 0.208 577 L C 1.532 178.206 176.870 -0.327 0.000 1.085 577 L CA 1.158 55.911 54.840 -0.144 0.000 0.755 577 L CB -0.024 41.966 42.059 -0.116 0.000 0.904 577 L HN 0.078 nan 8.230 nan 0.000 0.435 578 F N -0.614 119.310 119.950 -0.043 0.000 2.653 578 F HA 0.261 4.782 4.527 -0.010 0.000 0.304 578 F C 1.484 177.262 175.800 -0.036 0.000 1.092 578 F CA -0.380 57.588 58.000 -0.055 0.000 1.279 578 F CB -0.071 38.880 39.000 -0.081 0.000 1.044 578 F HN -0.089 nan 8.300 nan 0.000 0.564 579 G N 1.553 110.406 108.800 0.090 0.000 2.340 579 G HA2 0.342 4.294 3.960 -0.014 0.000 0.245 579 G HA3 0.342 4.294 3.960 -0.014 0.000 0.245 579 G C -0.454 174.480 174.900 0.057 0.000 1.294 579 G CA -0.058 45.078 45.100 0.059 0.000 0.896 579 G HN 0.206 nan 8.290 nan 0.000 0.522 580 I N 1.670 122.279 120.570 0.064 0.000 2.410 580 I HA 0.267 4.429 4.170 -0.014 0.000 0.286 580 I C 0.199 176.397 176.117 0.136 0.000 1.009 580 I CA -0.527 60.833 61.300 0.100 0.000 1.111 580 I CB 2.119 40.080 38.000 -0.065 0.000 1.262 580 I HN 0.493 nan 8.210 nan 0.000 0.443 581 S N 5.860 121.718 115.700 0.263 0.000 2.451 581 S HA 0.335 4.797 4.470 -0.014 0.000 0.301 581 S C 0.904 175.693 174.600 0.315 0.000 1.116 581 S CA -0.669 57.666 58.200 0.225 0.000 1.093 581 S CB 1.722 65.026 63.200 0.173 0.000 1.017 581 S HN 0.749 nan 8.310 nan 0.000 0.482 582 K N 3.153 123.668 120.400 0.191 0.000 2.044 582 K HA -0.184 4.128 4.320 -0.014 0.000 0.210 582 K C 1.699 178.407 176.600 0.181 0.000 1.049 582 K CA 2.157 58.546 56.287 0.170 0.000 0.927 582 K CB -0.251 32.303 32.500 0.091 0.000 0.713 582 K HN 0.855 nan 8.250 nan 0.000 0.443 583 E N -0.383 119.904 120.200 0.144 0.000 2.049 583 E HA -0.236 4.106 4.350 -0.014 0.000 0.198 583 E C 1.875 178.534 176.600 0.099 0.000 1.007 583 E CA 1.736 58.197 56.400 0.102 0.000 0.809 583 E CB -0.267 29.483 29.700 0.083 0.000 0.749 583 E HN 0.347 nan 8.360 nan 0.000 0.450 584 F N -0.336 119.618 119.950 0.007 0.000 2.095 584 F HA -0.209 4.306 4.527 -0.020 0.000 0.298 584 F C 1.681 177.374 175.800 -0.179 0.000 1.104 584 F CA 1.581 59.514 58.000 -0.112 0.000 1.232 584 F CB -0.217 38.681 39.000 -0.171 0.000 0.987 584 F HN 0.045 nan 8.300 nan 0.000 0.475 585 W N 0.968 122.356 121.300 0.147 0.000 2.518 585 W HA 0.006 4.662 4.660 -0.006 0.000 0.273 585 W C 2.363 178.851 176.519 -0.051 0.000 1.247 585 W CA 1.054 58.429 57.345 0.050 0.000 1.288 585 W CB -0.434 29.099 29.460 0.121 0.000 1.107 585 W HN 0.035 nan 8.180 nan 0.000 0.586 586 E N 0.512 120.795 120.200 0.138 0.000 2.058 586 E HA -0.248 4.094 4.350 -0.014 0.000 0.194 586 E C 2.012 178.589 176.600 -0.039 0.000 0.997 586 E CA 1.416 57.846 56.400 0.051 0.000 0.801 586 E CB -0.190 29.532 29.700 0.036 0.000 0.746 586 E HN 0.234 nan 8.360 nan 0.000 0.450 587 K N 0.464 120.779 120.400 -0.141 0.000 2.032 587 K HA -0.221 4.091 4.320 -0.014 0.000 0.209 587 K C 2.205 178.634 176.600 -0.284 0.000 1.048 587 K CA 1.373 57.524 56.287 -0.225 0.000 0.927 587 K CB -0.079 32.225 32.500 -0.326 0.000 0.712 587 K HN -0.044 nan 8.250 nan 0.000 0.441 588 E N 0.839 120.762 120.200 -0.461 0.000 2.038 588 E HA -0.174 4.168 4.350 -0.014 0.000 0.195 588 E C 1.802 178.339 176.600 -0.106 0.000 1.000 588 E CA 1.169 57.303 56.400 -0.443 0.000 0.803 588 E CB -0.383 28.881 29.700 -0.728 0.000 0.750 588 E HN 0.058 nan 8.360 nan 0.000 0.448 589 V N 0.641 120.578 119.914 0.037 0.000 2.358 589 V HA -0.231 3.881 4.120 -0.014 0.000 0.246 589 V C 2.314 178.461 176.094 0.088 0.000 1.047 589 V CA 2.486 64.870 62.300 0.139 0.000 1.035 589 V CB -0.405 31.522 31.823 0.174 0.000 0.658 589 V HN 0.468 nan 8.190 nan 0.000 0.452 590 E N -0.533 119.686 120.200 0.031 0.000 2.097 590 E HA -0.303 4.038 4.350 -0.014 0.000 0.196 590 E C 2.255 178.876 176.600 0.035 0.000 1.000 590 E CA 1.745 58.158 56.400 0.022 0.000 0.804 590 E CB -0.261 29.433 29.700 -0.010 0.000 0.740 590 E HN 0.658 nan 8.360 nan 0.000 0.454 591 E N 0.750 120.957 120.200 0.013 0.000 2.047 591 E HA -0.167 4.175 4.350 -0.014 0.000 0.191 591 E C 2.240 178.923 176.600 0.140 0.000 0.987 591 E CA 1.038 57.465 56.400 0.044 0.000 0.799 591 E CB -0.238 29.444 29.700 -0.030 0.000 0.752 591 E HN 0.416 nan 8.360 nan 0.000 0.449 592 I N 1.441 122.103 120.570 0.152 0.000 2.208 592 I HA -0.283 3.879 4.170 -0.014 0.000 0.245 592 I C 2.466 178.716 176.117 0.221 0.000 1.097 592 I CA 1.529 62.970 61.300 0.234 0.000 1.363 592 I CB -0.413 37.725 38.000 0.229 0.000 1.051 592 I HN 0.106 nan 8.210 nan 0.000 0.413 593 D N 1.438 121.938 120.400 0.167 0.000 2.092 593 D HA -0.212 4.419 4.640 -0.014 0.000 0.193 593 D C 2.131 178.480 176.300 0.082 0.000 0.994 593 D CA 1.666 55.738 54.000 0.120 0.000 0.828 593 D CB -0.026 40.823 40.800 0.082 0.000 0.963 593 D HN 0.189 nan 8.370 nan 0.000 0.450 594 K N -1.060 119.385 120.400 0.074 0.000 2.097 594 K HA -0.190 4.122 4.320 -0.014 0.000 0.206 594 K C 2.291 178.913 176.600 0.036 0.000 1.049 594 K CA 1.042 57.356 56.287 0.045 0.000 0.933 594 K CB -0.367 32.159 32.500 0.044 0.000 0.717 594 K HN 0.319 nan 8.250 nan 0.000 0.442 595 Y N 1.782 122.033 120.300 -0.080 0.000 2.133 595 Y HA -0.172 4.371 4.550 -0.012 0.000 0.287 595 Y C 1.866 177.683 175.900 -0.139 0.000 1.134 595 Y CA 1.312 59.292 58.100 -0.200 0.000 1.133 595 Y CB -0.298 37.842 38.460 -0.533 0.000 0.987 595 Y HN -0.102 nan 8.280 nan 0.000 0.502 596 L N 0.287 121.453 121.223 -0.095 0.000 2.046 596 L HA -0.208 4.124 4.340 -0.014 0.000 0.208 596 L C 2.599 179.389 176.870 -0.132 0.000 1.077 596 L CA 1.937 56.702 54.840 -0.124 0.000 0.747 596 L CB -0.710 41.398 42.059 0.081 0.000 0.896 596 L HN 0.341 nan 8.230 nan 0.000 0.432 597 E N 0.380 120.538 120.200 -0.071 0.000 2.058 597 E HA -0.310 4.032 4.350 -0.014 0.000 0.194 597 E C 1.744 178.284 176.600 -0.099 0.000 0.997 597 E CA 1.961 58.322 56.400 -0.064 0.000 0.801 597 E CB 0.047 29.728 29.700 -0.032 0.000 0.746 597 E HN 0.407 nan 8.360 nan 0.000 0.450 598 D N -0.395 119.927 120.400 -0.130 0.000 2.077 598 D HA -0.163 4.468 4.640 -0.014 0.000 0.196 598 D C 2.012 178.202 176.300 -0.184 0.000 0.986 598 D CA 1.317 55.235 54.000 -0.137 0.000 0.829 598 D CB 0.015 40.739 40.800 -0.127 0.000 0.983 598 D HN 0.101 nan 8.370 nan 0.000 0.453 599 Q N -0.583 119.024 119.800 -0.320 0.000 2.269 599 Q HA 0.047 4.379 4.340 -0.014 0.000 0.201 599 Q C 2.075 177.946 176.000 -0.215 0.000 0.946 599 Q CA 0.544 56.147 55.803 -0.334 0.000 0.877 599 Q CB 0.755 29.107 28.738 -0.643 0.000 0.963 599 Q HN 0.326 nan 8.270 nan 0.000 0.472 600 V N 0.514 120.315 119.914 -0.189 0.000 2.911 600 V HA -0.048 4.064 4.120 -0.014 0.000 0.237 600 V C 0.997 177.034 176.094 -0.095 0.000 1.156 600 V CA 0.826 63.060 62.300 -0.111 0.000 1.180 600 V CB -0.640 31.129 31.823 -0.089 0.000 0.932 600 V HN 0.423 nan 8.190 nan 0.000 0.483 601 N N 2.609 121.256 118.700 -0.089 0.000 1.613 601 N HA -0.434 4.298 4.740 -0.014 0.000 0.146 601 N C 1.316 176.797 175.510 -0.048 0.000 0.527 601 N CA 2.168 55.180 53.050 -0.064 0.000 1.174 601 N CB -1.879 36.570 38.487 -0.063 0.000 1.340 601 N HN 0.538 nan 8.380 nan 0.000 0.437 602 A N -1.060 121.733 122.820 -0.045 0.000 2.067 602 A HA -0.053 4.258 4.320 -0.014 0.000 0.219 602 A C 1.353 178.918 177.584 -0.031 0.000 1.158 602 A CA 1.903 53.921 52.037 -0.032 0.000 0.661 602 A CB -0.452 18.528 19.000 -0.033 0.000 0.801 602 A HN 0.629 nan 8.150 nan 0.000 0.452 603 D N -0.889 119.482 120.400 -0.049 0.000 2.340 603 D HA 0.128 4.759 4.640 -0.014 0.000 0.217 603 D C -0.036 176.222 176.300 -0.070 0.000 1.081 603 D CA -0.132 53.835 54.000 -0.055 0.000 0.842 603 D CB 0.105 40.864 40.800 -0.069 0.000 0.934 603 D HN 0.318 nan 8.370 nan 0.000 0.511 604 L N 2.625 123.813 121.223 -0.058 0.000 2.433 604 L HA 0.228 4.559 4.340 -0.014 0.000 0.275 604 L C -2.294 174.573 176.870 -0.004 0.000 1.128 604 L CA -1.297 53.510 54.840 -0.054 0.000 0.875 604 L CB 0.322 42.360 42.059 -0.035 0.000 1.171 604 L HN -0.271 nan 8.230 nan 0.000 0.463 605 P HA -0.044 nan 4.420 nan 0.000 0.266 605 P C 0.065 177.438 177.300 0.122 0.000 1.195 605 P CA 0.155 63.300 63.100 0.076 0.000 0.768 605 P CB 0.272 32.020 31.700 0.080 0.000 0.838 606 Y N 2.626 122.945 120.300 0.032 0.000 2.151 606 Y HA -0.320 4.222 4.550 -0.013 0.000 0.284 606 Y C 1.847 177.776 175.900 0.050 0.000 1.166 606 Y CA 1.976 60.097 58.100 0.034 0.000 1.163 606 Y CB -0.138 38.341 38.460 0.031 0.000 0.974 606 Y HN 0.412 nan 8.280 nan 0.000 0.511 607 E N -0.278 120.074 120.200 0.253 0.000 2.150 607 E HA -0.176 4.165 4.350 -0.014 0.000 0.193 607 E C 2.049 178.715 176.600 0.109 0.000 0.985 607 E CA 1.377 57.894 56.400 0.194 0.000 0.814 607 E CB -0.180 29.657 29.700 0.228 0.000 0.752 607 E HN 0.428 nan 8.360 nan 0.000 0.466 608 I N 0.765 121.404 120.570 0.116 0.000 2.233 608 I HA -0.169 3.992 4.170 -0.014 0.000 0.243 608 I C 2.412 178.588 176.117 0.098 0.000 1.093 608 I CA 1.215 62.611 61.300 0.160 0.000 1.380 608 I CB -1.085 37.014 38.000 0.166 0.000 1.067 608 I HN 0.142 nan 8.210 nan 0.000 0.413 609 E N 1.684 121.888 120.200 0.007 0.000 2.118 609 E HA -0.270 4.072 4.350 -0.014 0.000 0.195 609 E C 2.375 178.882 176.600 -0.155 0.000 0.992 609 E CA 1.564 57.921 56.400 -0.071 0.000 0.804 609 E CB -0.282 29.336 29.700 -0.137 0.000 0.741 609 E HN 0.302 nan 8.360 nan 0.000 0.458 610 R N 0.019 120.395 120.500 -0.206 0.000 2.081 610 R HA -0.152 4.180 4.340 -0.014 0.000 0.235 610 R C 2.030 178.226 176.300 -0.174 0.000 1.131 610 R CA 1.672 57.655 56.100 -0.195 0.000 0.960 610 R CB -0.117 30.101 30.300 -0.137 0.000 0.856 610 R HN 0.163 nan 8.270 nan 0.000 0.436 611 E N 0.750 120.842 120.200 -0.181 0.000 2.110 611 E HA -0.208 4.134 4.350 -0.014 0.000 0.193 611 E C 1.960 178.179 176.600 -0.634 0.000 0.988 611 E CA 0.859 57.045 56.400 -0.357 0.000 0.804 611 E CB -0.328 29.189 29.700 -0.306 0.000 0.745 611 E HN 0.272 nan 8.360 nan 0.000 0.458 612 L N 1.461 122.375 121.223 -0.515 0.000 1.989 612 L HA -0.181 4.150 4.340 -0.014 0.000 0.211 612 L C 2.337 179.089 176.870 -0.197 0.000 1.071 612 L CA 1.793 56.438 54.840 -0.326 0.000 0.749 612 L CB -0.272 41.802 42.059 0.026 0.000 0.890 612 L HN -0.057 nan 8.230 nan 0.000 0.431 613 R N -0.506 119.900 120.500 -0.157 0.000 2.091 613 R HA -0.169 4.163 4.340 -0.014 0.000 0.238 613 R C 2.231 178.452 176.300 -0.132 0.000 1.136 613 R CA 1.384 57.413 56.100 -0.119 0.000 0.959 613 R CB -0.772 29.458 30.300 -0.116 0.000 0.856 613 R HN 0.564 nan 8.270 nan 0.000 0.437 614 A N 1.254 123.967 122.820 -0.178 0.000 1.898 614 A HA -0.148 4.163 4.320 -0.014 0.000 0.216 614 A C 2.098 179.566 177.584 -0.193 0.000 1.181 614 A CA 1.028 52.957 52.037 -0.179 0.000 0.620 614 A CB -0.452 18.426 19.000 -0.203 0.000 0.819 614 A HN 0.230 nan 8.150 nan 0.000 0.442 615 L N -0.073 121.005 121.223 -0.242 0.000 2.017 615 L HA -0.132 4.200 4.340 -0.014 0.000 0.208 615 L C 2.199 179.015 176.870 -0.090 0.000 1.073 615 L CA 2.263 56.991 54.840 -0.186 0.000 0.745 615 L CB -0.655 41.298 42.059 -0.176 0.000 0.894 615 L HN 0.337 nan 8.230 nan 0.000 0.432 616 K N -0.890 119.473 120.400 -0.061 0.000 2.059 616 K HA -0.301 4.011 4.320 -0.014 0.000 0.212 616 K C 2.211 178.790 176.600 -0.035 0.000 1.050 616 K CA 2.091 58.365 56.287 -0.020 0.000 0.927 616 K CB -0.227 32.261 32.500 -0.020 0.000 0.714 616 K HN 0.362 nan 8.250 nan 0.000 0.447 617 Q N 0.952 120.716 119.800 -0.061 0.000 2.119 617 Q HA -0.097 4.234 4.340 -0.014 0.000 0.201 617 Q C 1.831 177.793 176.000 -0.064 0.000 0.972 617 Q CA 1.490 57.258 55.803 -0.057 0.000 0.847 617 Q CB 0.073 28.773 28.738 -0.065 0.000 0.903 617 Q HN 0.187 nan 8.270 nan 0.000 0.433 618 R N -0.367 120.078 120.500 -0.091 0.000 2.081 618 R HA -0.062 4.270 4.340 -0.014 0.000 0.235 618 R C 2.335 178.585 176.300 -0.082 0.000 1.131 618 R CA 1.589 57.626 56.100 -0.104 0.000 0.960 618 R CB -0.441 29.765 30.300 -0.157 0.000 0.856 618 R HN 0.348 nan 8.270 nan 0.000 0.436 619 I N 0.949 121.482 120.570 -0.062 0.000 2.226 619 I HA -0.280 3.882 4.170 -0.014 0.000 0.245 619 I C 2.522 178.637 176.117 -0.003 0.000 1.100 619 I CA 1.561 62.850 61.300 -0.018 0.000 1.374 619 I CB -0.422 37.606 38.000 0.046 0.000 1.057 619 I HN 0.214 nan 8.210 nan 0.000 0.413 620 S N 0.074 115.768 115.700 -0.010 0.000 2.442 620 S HA -0.155 4.307 4.470 -0.014 0.000 0.236 620 S C 1.815 176.408 174.600 -0.011 0.000 1.007 620 S CA 0.766 58.962 58.200 -0.006 0.000 0.965 620 S CB -0.173 63.020 63.200 -0.010 0.000 0.773 620 S HN 0.435 nan 8.310 nan 0.000 0.504 621 Q N 0.841 120.627 119.800 -0.023 0.000 2.356 621 Q HA 0.324 4.655 4.340 -0.014 0.000 0.205 621 Q C 1.115 177.101 176.000 -0.022 0.000 0.901 621 Q CA 0.121 55.909 55.803 -0.024 0.000 0.938 621 Q CB -0.027 28.690 28.738 -0.034 0.000 1.081 621 Q HN 0.854 nan 8.270 nan 0.000 0.517 622 M N 0.000 119.588 119.600 -0.021 0.000 2.572 622 M HA 0.000 4.472 4.480 -0.014 0.000 0.227 622 M CA 0.000 55.290 55.300 -0.016 0.000 0.988 622 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 622 M HN 0.000 nan 8.290 nan 0.000 0.411