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 2veo_1_A DATA FIRST_RESID 11 DATA SEQUENCE AALPNPYDDP FYTTPSNIGT FAKGQVIQSR KVPTDIGNAN NAASFQLQYR DATA SEQUENCE TTNTQNEAVA DVATVWIPAK PASPPKIFSY QVYEDATALD cAPSYSYLTG DATA SEQUENCE LDQPNKVTAV LDTPIIIGWA LQQGYYVVSS DHEGFKAAFI AGYEEGMAIL DATA SEQUENCE DGIRALKNYQ NLPSDSKVAL EGYSGGAHAT VWATSLADSY APELNIVGAS DATA SEQUENCE HGGTPVSAKD TFTFLNGGPF AGFALAGVSG LSLAHPDMES FIEARLNAKG DATA SEQUENCE QQTLKQIRGR GFcLPQVVLT YPFLNVFSLV NDTNLLNEAP IAGILKQETV DATA SEQUENCE VQAEASYTVS VPKFPRFIWH AIPDEIVPYQ PAATYVKEQc AKGANINFSP DATA SEQUENCE YPIAEHLTAE IFGLVPSLWF IKQAFDGTTP KVIcGTPIPA IAGITTPSAD DATA SEQUENCE QVLGSDLANQ LRSLNGKQSA FGKPFGPITP 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 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.609 177.584 0.041 0.000 1.274 11 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 11 A CB 0.000 18.914 19.000 -0.143 0.000 0.831 12 A N -0.860 121.978 122.820 0.030 0.000 2.015 12 A HA 0.437 4.756 4.320 -0.002 0.000 0.219 12 A C 0.799 178.419 177.584 0.060 0.000 1.163 12 A CA 1.529 53.588 52.037 0.036 0.000 0.646 12 A CB -0.515 18.497 19.000 0.020 0.000 0.806 12 A HN 0.737 nan 8.150 nan 0.000 0.448 13 L N -0.775 120.517 121.223 0.116 0.000 2.283 13 L HA 0.404 4.743 4.340 -0.002 0.000 0.259 13 L C -2.268 174.708 176.870 0.176 0.000 1.027 13 L CA -2.604 52.311 54.840 0.126 0.000 0.828 13 L CB 1.946 44.082 42.059 0.128 0.000 1.380 13 L HN -0.014 nan 8.230 nan 0.000 0.425 14 P HA -0.011 nan 4.420 nan 0.000 0.272 14 P C -0.823 176.448 177.300 -0.048 0.000 1.240 14 P CA -0.374 62.762 63.100 0.059 0.000 0.791 14 P CB 0.398 32.112 31.700 0.024 0.000 0.978 15 N N 1.555 120.169 118.700 -0.143 0.000 2.356 15 N HA -0.060 4.679 4.740 -0.002 0.000 0.252 15 N C -1.413 173.797 175.510 -0.499 0.000 1.241 15 N CA -0.763 52.000 53.050 -0.478 0.000 0.861 15 N CB 0.223 38.600 38.487 -0.183 0.000 1.075 15 N HN 0.159 nan 8.380 nan 0.000 0.461 16 P HA -0.151 nan 4.420 nan 0.000 0.217 16 P C 0.594 177.550 177.300 -0.572 0.000 1.148 16 P CA 1.492 63.994 63.100 -0.998 0.000 0.834 16 P CB -0.049 30.752 31.700 -1.499 0.000 0.783 17 Y N -0.563 119.516 120.300 -0.368 0.000 2.352 17 Y HA -0.121 4.427 4.550 -0.002 0.000 0.292 17 Y C 1.487 177.299 175.900 -0.147 0.000 1.136 17 Y CA 0.992 58.963 58.100 -0.215 0.000 1.227 17 Y CB -0.438 37.923 38.460 -0.165 0.000 0.991 17 Y HN -0.010 nan 8.280 nan 0.000 0.545 18 D N -0.717 119.679 120.400 -0.007 0.000 2.368 18 D HA 0.024 4.663 4.640 -0.002 0.000 0.218 18 D C -0.438 175.863 176.300 0.001 0.000 1.112 18 D CA 0.422 54.421 54.000 -0.001 0.000 0.834 18 D CB 0.192 40.989 40.800 -0.005 0.000 0.953 18 D HN 0.186 nan 8.370 nan 0.000 0.505 19 D N 0.625 121.025 120.400 -0.000 0.000 2.549 19 D HA 0.155 4.794 4.640 -0.002 0.000 0.251 19 D C -1.781 174.584 176.300 0.109 0.000 1.153 19 D CA -2.010 52.041 54.000 0.086 0.000 0.861 19 D CB 2.693 43.597 40.800 0.172 0.000 1.207 19 D HN -0.173 nan 8.370 nan 0.000 0.543 20 P HA -0.074 nan 4.420 nan 0.000 0.234 20 P C 1.396 178.722 177.300 0.043 0.000 1.167 20 P CA 0.189 63.314 63.100 0.041 0.000 0.763 20 P CB 0.092 31.817 31.700 0.042 0.000 0.835 21 F N -0.125 119.799 119.950 -0.044 0.000 2.293 21 F HA -0.074 4.452 4.527 -0.002 0.000 0.300 21 F C 1.176 176.795 175.800 -0.302 0.000 1.086 21 F CA 1.053 58.970 58.000 -0.139 0.000 1.375 21 F CB -0.399 38.514 39.000 -0.145 0.000 1.045 21 F HN -0.173 nan 8.300 nan 0.000 0.516 22 Y N 0.398 120.576 120.300 -0.202 0.000 2.882 22 Y HA 0.225 4.773 4.550 -0.002 0.000 0.361 22 Y C 0.313 175.496 175.900 -1.194 0.000 1.058 22 Y CA -0.339 57.313 58.100 -0.747 0.000 1.575 22 Y CB -0.550 37.584 38.460 -0.542 0.000 1.383 22 Y HN -0.151 nan 8.280 nan 0.000 0.515 23 T N -3.767 110.397 114.554 -0.651 0.000 2.900 23 T HA 0.400 4.749 4.350 -0.002 0.000 0.295 23 T C -0.168 174.461 174.700 -0.119 0.000 1.044 23 T CA -0.974 60.884 62.100 -0.403 0.000 0.995 23 T CB 1.745 70.498 68.868 -0.191 0.000 1.072 23 T HN -0.070 nan 8.240 nan 0.000 0.473 24 T N 5.001 119.578 114.554 0.038 0.000 2.794 24 T HA 0.461 4.809 4.350 -0.002 0.000 0.296 24 T C -1.928 172.772 174.700 -0.001 0.000 0.949 24 T CA -0.634 61.510 62.100 0.073 0.000 1.101 24 T CB 0.385 69.314 68.868 0.103 0.000 0.905 24 T HN 0.600 nan 8.240 nan 0.000 0.516 25 P HA 0.269 nan 4.420 nan 0.000 0.274 25 P C 0.584 177.905 177.300 0.035 0.000 1.237 25 P CA -0.400 62.699 63.100 -0.002 0.000 0.793 25 P CB 0.836 32.533 31.700 -0.006 0.000 0.977 26 S N 0.621 116.345 115.700 0.041 0.000 2.399 26 S HA -0.117 4.352 4.470 -0.002 0.000 0.231 26 S C 1.297 175.936 174.600 0.065 0.000 1.022 26 S CA 1.244 59.471 58.200 0.044 0.000 0.983 26 S CB -0.675 62.544 63.200 0.033 0.000 0.803 26 S HN 0.702 nan 8.310 nan 0.000 0.480 27 N N 1.338 120.100 118.700 0.104 0.000 2.346 27 N HA 0.077 4.816 4.740 -0.002 0.000 0.225 27 N C 0.874 176.532 175.510 0.247 0.000 1.144 27 N CA -0.135 52.993 53.050 0.130 0.000 0.837 27 N CB -0.492 38.058 38.487 0.105 0.000 1.069 27 N HN 0.259 nan 8.380 nan 0.000 0.487 28 I N 0.783 121.480 120.570 0.211 0.000 2.423 28 I HA -0.082 4.087 4.170 -0.002 0.000 0.254 28 I C 1.918 178.182 176.117 0.245 0.000 1.151 28 I CA 1.041 62.484 61.300 0.239 0.000 1.421 28 I CB -0.495 37.549 38.000 0.073 0.000 1.079 28 I HN 0.308 nan 8.210 nan 0.000 0.431 29 G N -1.215 107.668 108.800 0.138 0.000 2.598 29 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.215 29 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.215 29 G C 1.518 176.449 174.900 0.052 0.000 1.131 29 G CA 0.993 46.143 45.100 0.083 0.000 0.785 29 G HN 0.513 nan 8.290 nan 0.000 0.539 30 T N -2.212 112.353 114.554 0.018 0.000 3.081 30 T HA 0.279 4.628 4.350 -0.002 0.000 0.255 30 T C 0.545 175.103 174.700 -0.236 0.000 1.113 30 T CA -0.338 61.671 62.100 -0.153 0.000 1.082 30 T CB -0.208 68.483 68.868 -0.296 0.000 0.939 30 T HN 0.001 nan 8.240 nan 0.000 0.506 31 F N 2.118 122.069 119.950 0.001 0.000 2.385 31 F HA 0.677 5.203 4.527 -0.002 0.000 0.336 31 F C 0.918 176.723 175.800 0.009 0.000 1.100 31 F CA -1.275 56.728 58.000 0.006 0.000 1.116 31 F CB 0.773 39.777 39.000 0.006 0.000 1.166 31 F HN 0.136 nan 8.300 nan 0.000 0.511 32 A N 3.156 126.083 122.820 0.178 0.000 2.332 32 A HA 0.363 4.682 4.320 -0.002 0.000 0.258 32 A C -0.083 177.575 177.584 0.124 0.000 1.087 32 A CA -0.824 51.277 52.037 0.107 0.000 0.802 32 A CB 0.215 19.250 19.000 0.059 0.000 1.042 32 A HN 0.779 nan 8.150 nan 0.000 0.489 33 K N 0.450 120.895 120.400 0.074 0.000 2.453 33 K HA 0.330 4.649 4.320 -0.002 0.000 0.280 33 K C 1.067 177.720 176.600 0.089 0.000 1.045 33 K CA 1.137 57.474 56.287 0.084 0.000 1.059 33 K CB 0.049 32.547 32.500 -0.003 0.000 0.901 33 K HN 1.393 nan 8.250 nan 0.000 0.475 34 G N 2.060 110.956 108.800 0.159 0.000 2.179 34 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.260 34 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.260 34 G C 0.061 175.024 174.900 0.105 0.000 0.977 34 G CA -0.057 45.115 45.100 0.120 0.000 0.641 34 G HN 0.623 nan 8.290 nan 0.000 0.533 35 Q N 0.407 120.295 119.800 0.146 0.000 2.314 35 Q HA 0.483 4.822 4.340 -0.002 0.000 0.258 35 Q C 0.448 176.533 176.000 0.140 0.000 0.954 35 Q CA -0.429 55.475 55.803 0.168 0.000 0.890 35 Q CB 0.979 29.881 28.738 0.273 0.000 1.210 35 Q HN 0.216 nan 8.270 nan 0.000 0.410 36 V N 6.534 126.523 119.914 0.125 0.000 2.508 36 V HA 0.005 4.124 4.120 -0.002 0.000 0.281 36 V C 1.050 177.152 176.094 0.013 0.000 1.041 36 V CA 0.400 62.745 62.300 0.075 0.000 1.016 36 V CB 0.752 32.643 31.823 0.112 0.000 0.984 36 V HN 0.815 nan 8.190 nan 0.000 0.478 37 I N 2.664 123.118 120.570 -0.194 0.000 2.556 37 I HA 0.112 4.281 4.170 -0.002 0.000 0.251 37 I C 0.916 176.967 176.117 -0.111 0.000 1.105 37 I CA 0.748 61.835 61.300 -0.355 0.000 1.436 37 I CB 0.150 37.719 38.000 -0.718 0.000 1.139 37 I HN 0.604 nan 8.210 nan 0.000 0.438 38 Q N 0.103 119.833 119.800 -0.117 0.000 2.456 38 Q HA 0.536 4.875 4.340 -0.002 0.000 0.284 38 Q C -1.155 174.923 176.000 0.131 0.000 1.061 38 Q CA -0.667 55.147 55.803 0.017 0.000 0.799 38 Q CB 2.875 31.597 28.738 -0.027 0.000 1.445 38 Q HN 0.274 nan 8.270 nan 0.000 0.411 39 S N 0.507 116.335 115.700 0.213 0.000 2.595 39 S HA 0.885 5.354 4.470 -0.002 0.000 0.281 39 S C -1.176 173.542 174.600 0.196 0.000 1.117 39 S CA -1.012 57.299 58.200 0.185 0.000 0.873 39 S CB 2.225 65.423 63.200 -0.003 0.000 1.108 39 S HN 0.728 nan 8.310 nan 0.000 0.477 40 R N 0.281 120.845 120.500 0.107 0.000 2.604 40 R HA 0.555 4.894 4.340 -0.002 0.000 0.270 40 R C -1.528 174.837 176.300 0.109 0.000 1.052 40 R CA -1.005 55.124 56.100 0.049 0.000 0.902 40 R CB 1.445 31.643 30.300 -0.170 0.000 1.233 40 R HN 0.659 nan 8.270 nan 0.000 0.455 41 K N 1.999 122.479 120.400 0.134 0.000 2.322 41 K HA 0.289 4.608 4.320 -0.002 0.000 0.283 41 K C -0.374 176.132 176.600 -0.158 0.000 1.042 41 K CA -0.488 55.766 56.287 -0.056 0.000 0.958 41 K CB 1.104 33.576 32.500 -0.047 0.000 0.984 41 K HN 0.536 nan 8.250 nan 0.000 0.473 42 V N 1.874 121.633 119.914 -0.258 0.000 2.789 42 V HA 0.660 4.779 4.120 -0.002 0.000 0.311 42 V C -2.724 173.269 176.094 -0.169 0.000 1.073 42 V CA -2.555 59.638 62.300 -0.179 0.000 0.921 42 V CB 1.516 33.248 31.823 -0.152 0.000 1.009 42 V HN 0.735 nan 8.190 nan 0.000 0.426 43 P HA 0.438 nan 4.420 nan 0.000 0.293 43 P C -0.361 176.942 177.300 0.006 0.000 1.300 43 P CA 0.258 63.329 63.100 -0.047 0.000 0.792 43 P CB 1.169 32.854 31.700 -0.025 0.000 0.925 44 T N -1.224 113.362 114.554 0.053 0.000 2.908 44 T HA 0.321 4.670 4.350 -0.002 0.000 0.290 44 T C 0.716 175.510 174.700 0.157 0.000 1.034 44 T CA -0.673 61.523 62.100 0.159 0.000 1.010 44 T CB 1.329 70.385 68.868 0.312 0.000 1.068 44 T HN 0.117 nan 8.240 nan 0.000 0.481 45 D N 0.805 121.300 120.400 0.158 0.000 2.117 45 D HA -0.068 4.571 4.640 -0.002 0.000 0.197 45 D C 1.929 178.280 176.300 0.085 0.000 0.987 45 D CA 1.211 55.273 54.000 0.103 0.000 0.829 45 D CB -0.001 40.855 40.800 0.094 0.000 0.961 45 D HN 0.580 nan 8.370 nan 0.000 0.460 46 I N 1.176 121.811 120.570 0.108 0.000 2.252 46 I HA -0.133 4.036 4.170 -0.002 0.000 0.245 46 I C 2.646 178.767 176.117 0.007 0.000 1.102 46 I CA 1.212 62.489 61.300 -0.039 0.000 1.385 46 I CB -0.400 37.416 38.000 -0.306 0.000 1.064 46 I HN -0.008 nan 8.210 nan 0.000 0.414 47 G N 0.850 109.796 108.800 0.244 0.000 2.418 47 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.217 47 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.217 47 G C 1.438 176.394 174.900 0.094 0.000 1.158 47 G CA 0.802 46.056 45.100 0.257 0.000 0.771 47 G HN 0.292 nan 8.290 nan 0.000 0.545 48 N N 1.256 119.995 118.700 0.066 0.000 2.142 48 N HA -0.022 4.717 4.740 -0.002 0.000 0.186 48 N C 2.385 177.900 175.510 0.009 0.000 1.023 48 N CA 1.246 54.313 53.050 0.027 0.000 0.852 48 N CB -0.543 37.959 38.487 0.024 0.000 0.998 48 N HN 0.308 nan 8.380 nan 0.000 0.424 49 A N 0.632 123.453 122.820 0.002 0.000 2.015 49 A HA -0.004 4.315 4.320 -0.002 0.000 0.219 49 A C 1.584 179.145 177.584 -0.037 0.000 1.163 49 A CA 1.060 53.085 52.037 -0.019 0.000 0.646 49 A CB -0.119 18.865 19.000 -0.027 0.000 0.806 49 A HN 0.261 nan 8.150 nan 0.000 0.448 50 N N -0.708 117.966 118.700 -0.043 0.000 2.187 50 N HA -0.011 4.727 4.740 -0.002 0.000 0.212 50 N C -0.162 175.321 175.510 -0.045 0.000 1.152 50 N CA 0.283 53.294 53.050 -0.065 0.000 0.872 50 N CB 0.256 38.677 38.487 -0.110 0.000 1.025 50 N HN 0.441 nan 8.380 nan 0.000 0.514 51 N N 1.160 119.849 118.700 -0.019 0.000 2.725 51 N HA -0.211 4.527 4.740 -0.002 0.000 0.251 51 N C -1.163 174.350 175.510 0.005 0.000 1.031 51 N CA 0.643 53.687 53.050 -0.009 0.000 0.720 51 N CB -0.989 37.486 38.487 -0.021 0.000 0.930 51 N HN 0.370 nan 8.380 nan 0.000 0.543 52 A N -0.147 122.697 122.820 0.039 0.000 2.343 52 A HA 0.855 5.174 4.320 -0.002 0.000 0.316 52 A C 0.203 177.849 177.584 0.103 0.000 1.104 52 A CA -0.103 51.986 52.037 0.087 0.000 0.768 52 A CB 1.381 20.457 19.000 0.126 0.000 1.213 52 A HN 0.780 nan 8.150 nan 0.000 0.456 53 A N 2.148 125.012 122.820 0.073 0.000 2.454 53 A HA 0.572 4.891 4.320 -0.002 0.000 0.260 53 A C 0.646 178.105 177.584 -0.209 0.000 1.106 53 A CA 0.342 52.325 52.037 -0.090 0.000 0.780 53 A CB -0.307 18.685 19.000 -0.014 0.000 1.044 53 A HN 1.709 nan 8.150 nan 0.000 0.498 54 S N 1.502 116.899 115.700 -0.505 0.000 2.501 54 S HA 0.872 5.341 4.470 -0.002 0.000 0.301 54 S C -0.730 173.347 174.600 -0.872 0.000 1.096 54 S CA -0.541 57.272 58.200 -0.646 0.000 1.063 54 S CB 0.848 63.627 63.200 -0.702 0.000 1.042 54 S HN 0.440 nan 8.310 nan 0.000 0.494 55 F N 0.026 119.785 119.950 -0.318 0.000 2.599 55 F HA 0.502 5.028 4.527 -0.002 0.000 0.311 55 F C 0.190 175.813 175.800 -0.296 0.000 1.076 55 F CA -0.894 56.954 58.000 -0.253 0.000 0.937 55 F CB 2.097 40.954 39.000 -0.238 0.000 1.282 55 F HN 0.484 nan 8.300 nan 0.000 0.460 56 Q N 2.402 122.177 119.800 -0.042 0.000 2.293 56 Q HA 0.639 4.977 4.340 -0.002 0.000 0.261 56 Q C -1.373 174.691 176.000 0.108 0.000 0.960 56 Q CA -0.680 55.112 55.803 -0.019 0.000 0.882 56 Q CB 2.406 31.074 28.738 -0.117 0.000 1.275 56 Q HN 0.511 nan 8.270 nan 0.000 0.445 57 L N 2.231 123.531 121.223 0.127 0.000 2.305 57 L HA 0.406 4.745 4.340 -0.002 0.000 0.284 57 L C -0.198 176.793 176.870 0.202 0.000 1.013 57 L CA -0.616 54.295 54.840 0.117 0.000 0.819 57 L CB 1.535 43.568 42.059 -0.043 0.000 1.227 57 L HN 0.476 nan 8.230 nan 0.000 0.417 58 Q N 3.958 123.748 119.800 -0.017 0.000 2.314 58 Q HA 0.339 4.677 4.340 -0.002 0.000 0.257 58 Q C -1.592 174.310 176.000 -0.162 0.000 0.975 58 Q CA -0.442 55.167 55.803 -0.324 0.000 0.933 58 Q CB 0.896 29.127 28.738 -0.845 0.000 1.195 58 Q HN 0.566 nan 8.270 nan 0.000 0.426 59 Y N 0.953 121.101 120.300 -0.253 0.000 2.609 59 Y HA 0.606 5.155 4.550 -0.002 0.000 0.342 59 Y C -1.043 174.723 175.900 -0.224 0.000 1.058 59 Y CA -1.539 56.431 58.100 -0.215 0.000 1.055 59 Y CB 0.903 39.294 38.460 -0.115 0.000 1.292 59 Y HN 0.336 nan 8.280 nan 0.000 0.476 60 R N 1.990 122.454 120.500 -0.059 0.000 2.340 60 R HA 0.497 4.836 4.340 -0.002 0.000 0.300 60 R C -0.835 175.497 176.300 0.053 0.000 1.069 60 R CA 0.419 56.473 56.100 -0.077 0.000 0.984 60 R CB 1.221 31.545 30.300 0.039 0.000 1.003 60 R HN 1.082 nan 8.270 nan 0.000 0.459 61 T N 0.805 115.324 114.554 -0.058 0.000 2.669 61 T HA 0.533 4.882 4.350 -0.002 0.000 0.283 61 T C -1.131 173.587 174.700 0.030 0.000 1.019 61 T CA -0.281 61.852 62.100 0.055 0.000 1.039 61 T CB 1.489 70.371 68.868 0.022 0.000 1.374 61 T HN 0.513 nan 8.240 nan 0.000 0.523 62 T N 2.919 117.503 114.554 0.051 0.000 2.861 62 T HA 0.567 4.915 4.350 -0.002 0.000 0.287 62 T C -0.411 174.244 174.700 -0.075 0.000 1.003 62 T CA -0.916 61.194 62.100 0.017 0.000 0.977 62 T CB 1.234 70.172 68.868 0.118 0.000 0.996 62 T HN 0.779 nan 8.240 nan 0.000 0.448 63 N N 0.489 119.140 118.700 -0.083 0.000 2.448 63 N HA 0.262 5.001 4.740 -0.002 0.000 0.274 63 N C 1.048 176.479 175.510 -0.132 0.000 1.239 63 N CA -0.598 52.385 53.050 -0.113 0.000 0.982 63 N CB -0.382 38.041 38.487 -0.106 0.000 1.199 63 N HN 0.335 nan 8.380 nan 0.000 0.576 64 T N -0.340 114.112 114.554 -0.171 0.000 2.803 64 T HA -0.103 4.245 4.350 -0.002 0.000 0.269 64 T C 0.903 175.471 174.700 -0.219 0.000 1.052 64 T CA 1.277 63.239 62.100 -0.231 0.000 1.136 64 T CB -0.200 68.448 68.868 -0.366 0.000 0.864 64 T HN 0.460 nan 8.240 nan 0.000 0.467 65 Q N 0.967 120.665 119.800 -0.169 0.000 2.373 65 Q HA 0.190 4.529 4.340 -0.002 0.000 0.206 65 Q C 0.528 176.476 176.000 -0.085 0.000 0.942 65 Q CA -0.023 55.708 55.803 -0.121 0.000 0.953 65 Q CB -0.585 28.096 28.738 -0.094 0.000 1.022 65 Q HN 0.520 nan 8.270 nan 0.000 0.502 66 N N 1.133 119.783 118.700 -0.084 0.000 2.747 66 N HA -0.183 4.556 4.740 -0.002 0.000 0.249 66 N C -1.299 174.200 175.510 -0.019 0.000 1.107 66 N CA 0.653 53.678 53.050 -0.043 0.000 0.707 66 N CB -0.501 37.965 38.487 -0.035 0.000 1.054 66 N HN 0.366 nan 8.380 nan 0.000 0.555 67 E N -0.153 120.030 120.200 -0.028 0.000 2.214 67 E HA 0.608 4.957 4.350 -0.002 0.000 0.274 67 E C 0.009 176.604 176.600 -0.007 0.000 0.977 67 E CA -0.434 55.957 56.400 -0.014 0.000 0.827 67 E CB 1.087 30.774 29.700 -0.022 0.000 1.130 67 E HN 0.369 nan 8.360 nan 0.000 0.394 68 A N 2.127 124.952 122.820 0.009 0.000 2.454 68 A HA 0.398 4.717 4.320 -0.002 0.000 0.260 68 A C 0.036 177.610 177.584 -0.016 0.000 1.106 68 A CA -0.319 51.726 52.037 0.013 0.000 0.780 68 A CB -0.257 18.768 19.000 0.041 0.000 1.044 68 A HN 0.407 nan 8.150 nan 0.000 0.498 69 V N -0.814 119.064 119.914 -0.060 0.000 3.130 69 V HA 0.956 5.074 4.120 -0.002 0.000 0.310 69 V C 0.108 176.070 176.094 -0.220 0.000 1.158 69 V CA -0.532 61.701 62.300 -0.112 0.000 1.029 69 V CB 1.215 32.956 31.823 -0.138 0.000 1.057 69 V HN 1.612 nan 8.190 nan 0.000 0.436 70 A N 0.947 123.603 122.820 -0.273 0.000 2.269 70 A HA 0.904 5.223 4.320 -0.002 0.000 0.319 70 A C -0.634 176.340 177.584 -1.017 0.000 1.110 70 A CA -0.149 51.611 52.037 -0.461 0.000 0.847 70 A CB 1.232 20.117 19.000 -0.191 0.000 1.161 70 A HN 1.138 nan 8.150 nan 0.000 0.497 71 D N -1.258 118.460 120.400 -1.137 0.000 2.643 71 D HA 0.554 5.193 4.640 -0.002 0.000 0.283 71 D C -1.664 174.176 176.300 -0.768 0.000 1.242 71 D CA -0.128 53.109 54.000 -1.272 0.000 0.863 71 D CB 2.090 42.271 40.800 -1.031 0.000 1.382 71 D HN 0.311 nan 8.370 nan 0.000 0.444 72 V N 0.611 120.352 119.914 -0.287 0.000 2.604 72 V HA 0.897 5.016 4.120 -0.002 0.000 0.305 72 V C -0.148 176.114 176.094 0.279 0.000 1.043 72 V CA -0.594 61.736 62.300 0.051 0.000 0.888 72 V CB 1.210 33.052 31.823 0.033 0.000 0.995 72 V HN 0.734 nan 8.190 nan 0.000 0.429 73 A N 2.846 125.885 122.820 0.366 0.000 2.413 73 A HA 0.881 5.199 4.320 -0.002 0.000 0.307 73 A C -0.277 177.387 177.584 0.134 0.000 1.087 73 A CA -0.592 51.608 52.037 0.273 0.000 0.750 73 A CB 1.791 20.902 19.000 0.185 0.000 1.296 73 A HN 0.687 nan 8.150 nan 0.000 0.423 74 T N 1.598 116.202 114.554 0.083 0.000 2.771 74 T HA 0.560 4.909 4.350 -0.002 0.000 0.281 74 T C -0.019 174.487 174.700 -0.323 0.000 0.982 74 T CA -0.311 61.668 62.100 -0.202 0.000 0.978 74 T CB 0.862 69.535 68.868 -0.325 0.000 0.930 74 T HN 1.331 nan 8.240 nan 0.000 0.447 75 V N 0.370 120.070 119.914 -0.357 0.000 2.715 75 V HA 0.740 4.859 4.120 -0.002 0.000 0.310 75 V C -1.177 174.778 176.094 -0.233 0.000 1.054 75 V CA -1.117 61.117 62.300 -0.111 0.000 0.928 75 V CB 1.973 33.842 31.823 0.077 0.000 1.007 75 V HN 0.866 nan 8.190 nan 0.000 0.437 76 W N 3.770 125.172 121.300 0.169 0.000 2.600 76 W HA 0.591 5.249 4.660 -0.002 0.000 0.325 76 W C -1.171 175.466 176.519 0.197 0.000 1.034 76 W CA -0.792 56.633 57.345 0.134 0.000 1.226 76 W CB 2.222 31.704 29.460 0.038 0.000 1.379 76 W HN 0.449 nan 8.180 nan 0.000 0.466 77 I N 5.550 126.361 120.570 0.401 0.000 2.307 77 I HA 0.197 4.366 4.170 -0.002 0.000 0.289 77 I C -1.745 174.447 176.117 0.124 0.000 1.021 77 I CA -3.158 58.330 61.300 0.313 0.000 1.224 77 I CB 0.288 38.532 38.000 0.406 0.000 1.376 77 I HN -0.051 nan 8.210 nan 0.000 0.470 78 P HA 0.079 nan 4.420 nan 0.000 0.269 78 P C 0.595 177.840 177.300 -0.091 0.000 1.209 78 P CA -0.122 62.904 63.100 -0.124 0.000 0.776 78 P CB 1.175 32.709 31.700 -0.276 0.000 0.876 79 A N 4.127 126.905 122.820 -0.070 0.000 1.902 79 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 79 A C 0.958 178.501 177.584 -0.068 0.000 1.181 79 A CA 1.484 53.493 52.037 -0.047 0.000 0.623 79 A CB -0.541 18.432 19.000 -0.044 0.000 0.818 79 A HN 0.567 nan 8.150 nan 0.000 0.443 80 K N 0.536 120.870 120.400 -0.110 0.000 2.540 80 K HA 0.362 4.681 4.320 -0.002 0.000 0.218 80 K C -2.989 173.508 176.600 -0.171 0.000 1.017 80 K CA -1.829 54.389 56.287 -0.116 0.000 1.029 80 K CB 1.409 33.847 32.500 -0.104 0.000 1.348 80 K HN 0.143 nan 8.250 nan 0.000 0.508 81 P HA 0.036 nan 4.420 nan 0.000 0.271 81 P C -0.559 176.639 177.300 -0.170 0.000 1.216 81 P CA -0.322 62.610 63.100 -0.280 0.000 0.776 81 P CB 0.837 32.359 31.700 -0.296 0.000 0.881 82 A N 2.191 124.906 122.820 -0.174 0.000 2.386 82 A HA 0.473 4.792 4.320 -0.002 0.000 0.248 82 A C 0.285 177.855 177.584 -0.023 0.000 1.082 82 A CA 0.200 52.179 52.037 -0.097 0.000 0.789 82 A CB -0.018 18.928 19.000 -0.090 0.000 1.025 82 A HN 0.440 nan 8.150 nan 0.000 0.490 83 S N 1.231 116.922 115.700 -0.015 0.000 2.538 83 S HA 0.684 5.153 4.470 -0.002 0.000 0.288 83 S C -2.535 172.066 174.600 0.001 0.000 1.108 83 S CA -1.076 57.130 58.200 0.009 0.000 0.971 83 S CB 0.967 64.174 63.200 0.011 0.000 1.041 83 S HN 0.753 nan 8.310 nan 0.000 0.483 84 P HA 0.346 nan 4.420 nan 0.000 0.272 84 P C -2.904 174.411 177.300 0.025 0.000 1.230 84 P CA -1.307 61.804 63.100 0.017 0.000 0.788 84 P CB -0.784 30.924 31.700 0.014 0.000 0.949 85 P HA 0.112 nan 4.420 nan 0.000 0.264 85 P C -0.532 176.793 177.300 0.042 0.000 1.183 85 P CA 0.610 63.790 63.100 0.133 0.000 0.763 85 P CB 0.260 32.002 31.700 0.069 0.000 0.807 86 K N 3.187 123.604 120.400 0.027 0.000 2.426 86 K HA 0.522 4.841 4.320 -0.002 0.000 0.254 86 K C -0.583 175.992 176.600 -0.042 0.000 0.936 86 K CA -0.531 55.572 56.287 -0.307 0.000 0.801 86 K CB 1.613 33.454 32.500 -1.099 0.000 1.139 86 K HN 0.347 nan 8.250 nan 0.000 0.424 87 I N 3.396 124.034 120.570 0.114 0.000 2.330 87 I HA 0.264 4.433 4.170 -0.002 0.000 0.289 87 I C -0.806 175.579 176.117 0.446 0.000 1.001 87 I CA -0.692 60.777 61.300 0.282 0.000 1.193 87 I CB 0.658 38.773 38.000 0.192 0.000 1.345 87 I HN 0.485 nan 8.210 nan 0.000 0.461 88 F N 6.704 126.848 119.950 0.323 0.000 2.334 88 F HA 0.401 4.927 4.527 -0.002 0.000 0.367 88 F C 0.374 176.382 175.800 0.347 0.000 1.115 88 F CA -0.235 57.992 58.000 0.378 0.000 1.116 88 F CB 1.099 40.361 39.000 0.438 0.000 1.230 88 F HN 0.341 nan 8.300 nan 0.000 0.484 89 S N 6.815 122.444 115.700 -0.119 0.000 2.410 89 S HA 0.284 4.753 4.470 -0.002 0.000 0.304 89 S C -1.184 173.322 174.600 -0.157 0.000 1.095 89 S CA -0.297 57.883 58.200 -0.034 0.000 1.089 89 S CB -0.111 63.097 63.200 0.013 0.000 0.968 89 S HN 0.602 nan 8.310 nan 0.000 0.480 90 Y N 4.424 124.696 120.300 -0.045 0.000 2.341 90 Y HA 0.573 5.123 4.550 -0.002 0.000 0.337 90 Y C -0.564 175.461 175.900 0.208 0.000 1.014 90 Y CA -0.635 57.506 58.100 0.068 0.000 1.111 90 Y CB 1.196 39.841 38.460 0.309 0.000 1.194 90 Y HN 0.521 nan 8.280 nan 0.000 0.462 91 Q N 4.904 124.397 119.800 -0.511 0.000 2.341 91 Q HA 0.465 4.804 4.340 -0.002 0.000 0.268 91 Q C -0.873 174.835 176.000 -0.486 0.000 1.013 91 Q CA -0.785 54.827 55.803 -0.319 0.000 0.798 91 Q CB 1.755 30.351 28.738 -0.237 0.000 1.253 91 Q HN 0.625 nan 8.270 nan 0.000 0.457 92 V N 0.335 120.163 119.914 -0.144 0.000 2.785 92 V HA 0.458 4.576 4.120 -0.002 0.000 0.300 92 V C -0.450 175.702 176.094 0.096 0.000 1.062 92 V CA -0.755 61.483 62.300 -0.104 0.000 1.029 92 V CB 0.428 32.220 31.823 -0.052 0.000 1.024 92 V HN 0.734 nan 8.190 nan 0.000 0.477 93 Y N 0.894 121.319 120.300 0.208 0.000 2.570 93 Y HA 0.444 4.993 4.550 -0.002 0.000 0.336 93 Y C 1.307 177.298 175.900 0.153 0.000 1.284 93 Y CA -0.143 58.090 58.100 0.220 0.000 1.761 93 Y CB -0.516 38.106 38.460 0.270 0.000 1.724 93 Y HN 0.910 nan 8.280 nan 0.000 0.455 94 E N 1.832 122.152 120.200 0.200 0.000 2.031 94 E HA -0.249 4.100 4.350 -0.002 0.000 0.193 94 E C -0.044 176.568 176.600 0.020 0.000 0.994 94 E CA 1.333 57.775 56.400 0.071 0.000 0.800 94 E CB -0.064 29.652 29.700 0.027 0.000 0.752 94 E HN 0.806 nan 8.360 nan 0.000 0.447 95 D N -0.019 120.344 120.400 -0.062 0.000 2.697 95 D HA -0.187 4.452 4.640 -0.002 0.000 0.238 95 D C -1.039 174.991 176.300 -0.449 0.000 1.152 95 D CA 1.130 54.782 54.000 -0.580 0.000 0.666 95 D CB -1.320 39.326 40.800 -0.258 0.000 1.037 95 D HN 0.376 nan 8.370 nan 0.000 0.423 96 A N -0.888 121.720 122.820 -0.355 0.000 2.610 96 A HA 0.809 5.127 4.320 -0.002 0.000 0.291 96 A C 0.373 177.986 177.584 0.049 0.000 1.086 96 A CA -0.132 51.862 52.037 -0.071 0.000 0.677 96 A CB 1.413 20.432 19.000 0.032 0.000 1.278 96 A HN 0.338 nan 8.150 nan 0.000 0.414 97 T N -1.725 112.905 114.554 0.126 0.000 3.374 97 T HA 0.658 5.007 4.350 -0.002 0.000 0.267 97 T C -0.035 174.751 174.700 0.143 0.000 0.996 97 T CA 0.492 62.680 62.100 0.147 0.000 0.977 97 T CB -0.119 68.840 68.868 0.151 0.000 1.149 97 T HN 1.905 nan 8.240 nan 0.000 0.517 98 A N 0.922 123.832 122.820 0.150 0.000 2.435 98 A HA 0.779 5.098 4.320 -0.002 0.000 0.304 98 A C 0.756 178.400 177.584 0.101 0.000 1.064 98 A CA -0.824 51.325 52.037 0.188 0.000 0.727 98 A CB 1.322 20.471 19.000 0.248 0.000 1.284 98 A HN 0.323 nan 8.150 nan 0.000 0.415 99 L N 1.027 122.244 121.223 -0.009 0.000 2.046 99 L HA -0.085 4.253 4.340 -0.002 0.000 0.208 99 L C 1.771 178.464 176.870 -0.295 0.000 1.077 99 L CA 2.836 57.489 54.840 -0.311 0.000 0.747 99 L CB -0.365 41.169 42.059 -0.875 0.000 0.896 99 L HN 0.835 nan 8.230 nan 0.000 0.432 100 D N -2.060 118.235 120.400 -0.175 0.000 2.363 100 D HA -0.109 4.530 4.640 -0.002 0.000 0.226 100 D C 1.537 177.892 176.300 0.091 0.000 1.020 100 D CA 0.591 54.519 54.000 -0.121 0.000 0.892 100 D CB -1.114 39.673 40.800 -0.022 0.000 0.900 100 D HN 0.394 nan 8.370 nan 0.000 0.531 101 c N 0.586 119.225 118.600 0.065 0.000 2.626 101 c HA 0.554 5.123 4.570 -0.002 0.000 0.266 101 c C 1.424 175.542 174.090 0.046 0.000 1.317 101 c CA -0.685 55.685 56.329 0.070 0.000 1.716 101 c CB -1.537 41.007 42.510 0.057 0.000 1.819 101 c HN 0.431 nan 8.230 nan 0.000 0.578 102 A N 2.560 125.409 122.820 0.050 0.000 2.540 102 A HA 0.267 4.586 4.320 -0.002 0.000 0.239 102 A C -0.772 176.863 177.584 0.085 0.000 1.061 102 A CA -0.348 51.734 52.037 0.074 0.000 0.758 102 A CB 0.048 19.131 19.000 0.137 0.000 0.991 102 A HN 0.289 nan 8.150 nan 0.000 0.502 103 P HA -0.239 nan 4.420 nan 0.000 0.216 103 P C 1.836 179.125 177.300 -0.018 0.000 1.153 103 P CA 2.248 65.290 63.100 -0.097 0.000 0.858 103 P CB -0.068 31.657 31.700 0.042 0.000 0.789 104 S N -1.803 114.067 115.700 0.282 0.000 2.370 104 S HA -0.262 4.206 4.470 -0.002 0.000 0.226 104 S C 2.101 176.928 174.600 0.379 0.000 1.033 104 S CA 1.257 59.709 58.200 0.420 0.000 1.011 104 S CB -1.829 61.623 63.200 0.421 0.000 0.852 104 S HN 0.094 nan 8.310 nan 0.000 0.457 105 Y N 2.682 123.085 120.300 0.171 0.000 2.263 105 Y HA 0.089 4.638 4.550 -0.002 0.000 0.292 105 Y C 2.511 178.446 175.900 0.060 0.000 1.130 105 Y CA 0.907 59.064 58.100 0.096 0.000 1.179 105 Y CB -0.692 37.765 38.460 -0.004 0.000 0.998 105 Y HN 0.308 nan 8.280 nan 0.000 0.532 106 S N -0.595 115.075 115.700 -0.049 0.000 2.402 106 S HA -0.165 4.304 4.470 -0.002 0.000 0.229 106 S C 1.602 176.159 174.600 -0.073 0.000 1.021 106 S CA 1.076 59.176 58.200 -0.167 0.000 0.974 106 S CB -0.586 62.502 63.200 -0.187 0.000 0.800 106 S HN 0.501 nan 8.310 nan 0.000 0.484 107 Y N 1.783 122.150 120.300 0.112 0.000 2.352 107 Y HA 0.145 4.693 4.550 -0.002 0.000 0.292 107 Y C 1.016 176.988 175.900 0.120 0.000 1.136 107 Y CA -0.388 57.825 58.100 0.188 0.000 1.227 107 Y CB -0.852 37.807 38.460 0.333 0.000 0.991 107 Y HN 0.170 nan 8.280 nan 0.000 0.545 108 L N 0.880 122.211 121.223 0.180 0.000 2.483 108 L HA 0.016 4.355 4.340 -0.002 0.000 0.275 108 L C 1.017 177.911 176.870 0.041 0.000 1.220 108 L CA -0.166 54.725 54.840 0.084 0.000 0.833 108 L CB 0.082 42.153 42.059 0.021 0.000 1.102 108 L HN 0.153 nan 8.230 nan 0.000 0.490 109 T N -0.038 114.540 114.554 0.040 0.000 2.946 109 T HA 0.472 4.820 4.350 -0.002 0.000 0.311 109 T C 0.330 175.022 174.700 -0.014 0.000 1.063 109 T CA -0.020 62.092 62.100 0.020 0.000 1.139 109 T CB 1.032 69.912 68.868 0.020 0.000 0.994 109 T HN 1.090 nan 8.240 nan 0.000 0.547 110 G N 1.063 109.851 108.800 -0.019 0.000 2.340 110 G HA2 0.215 4.174 3.960 -0.002 0.000 0.527 110 G HA3 0.215 4.174 3.960 -0.002 0.000 0.527 110 G C -0.358 174.513 174.900 -0.048 0.000 1.381 110 G CA -0.536 44.541 45.100 -0.039 0.000 1.001 110 G HN 0.836 nan 8.290 nan 0.000 0.626 111 L N -0.097 121.099 121.223 -0.045 0.000 3.217 111 L HA 0.276 4.615 4.340 -0.002 0.000 0.288 111 L C 1.609 178.452 176.870 -0.044 0.000 1.202 111 L CA 0.533 55.351 54.840 -0.038 0.000 1.027 111 L CB 0.581 42.630 42.059 -0.017 0.000 1.427 111 L HN 0.698 nan 8.230 nan 0.000 0.600 112 D N -0.884 119.485 120.400 -0.051 0.000 2.350 112 D HA -0.045 4.593 4.640 -0.002 0.000 0.213 112 D C 0.516 176.797 176.300 -0.032 0.000 1.031 112 D CA -0.135 53.849 54.000 -0.027 0.000 0.861 112 D CB 0.040 40.843 40.800 0.004 0.000 0.926 112 D HN 0.184 nan 8.370 nan 0.000 0.520 113 Q N 1.998 121.722 119.800 -0.127 0.000 2.263 113 Q HA 0.097 4.436 4.340 -0.002 0.000 0.289 113 Q C -1.428 174.554 176.000 -0.029 0.000 1.061 113 Q CA -0.679 55.034 55.803 -0.151 0.000 0.927 113 Q CB 0.722 29.193 28.738 -0.444 0.000 1.154 113 Q HN 0.096 nan 8.270 nan 0.000 0.378 114 P HA -0.174 nan 4.420 nan 0.000 0.218 114 P C 0.116 177.411 177.300 -0.008 0.000 1.149 114 P CA 1.228 64.341 63.100 0.022 0.000 0.817 114 P CB 0.421 32.154 31.700 0.054 0.000 0.785 115 N N -0.701 118.001 118.700 0.003 0.000 2.279 115 N HA 0.036 4.775 4.740 -0.002 0.000 0.226 115 N C 1.299 176.779 175.510 -0.049 0.000 1.126 115 N CA -0.039 52.998 53.050 -0.022 0.000 0.846 115 N CB -0.367 38.114 38.487 -0.009 0.000 1.050 115 N HN -0.176 nan 8.380 nan 0.000 0.502 116 K N -0.100 120.266 120.400 -0.057 0.000 2.113 116 K HA -0.074 4.245 4.320 -0.002 0.000 0.208 116 K C 1.594 178.177 176.600 -0.028 0.000 1.047 116 K CA 0.980 57.229 56.287 -0.064 0.000 0.928 116 K CB -0.672 31.793 32.500 -0.060 0.000 0.716 116 K HN 0.074 nan 8.250 nan 0.000 0.446 117 V N 1.061 120.971 119.914 -0.006 0.000 2.469 117 V HA -0.251 3.867 4.120 -0.002 0.000 0.251 117 V C 1.839 177.971 176.094 0.063 0.000 1.064 117 V CA 2.741 65.065 62.300 0.040 0.000 1.066 117 V CB -0.854 30.995 31.823 0.044 0.000 0.667 117 V HN 0.779 nan 8.190 nan 0.000 0.461 118 T N -2.242 112.306 114.554 -0.010 0.000 3.051 118 T HA 0.117 4.466 4.350 -0.002 0.000 0.269 118 T C 1.334 175.966 174.700 -0.114 0.000 1.127 118 T CA 1.107 63.134 62.100 -0.122 0.000 1.107 118 T CB -0.156 68.573 68.868 -0.232 0.000 0.898 118 T HN 0.651 nan 8.240 nan 0.000 0.517 119 A N 0.667 123.463 122.820 -0.040 0.000 2.469 119 A HA 0.596 4.915 4.320 -0.002 0.000 0.245 119 A C 1.816 179.461 177.584 0.103 0.000 1.221 119 A CA 0.228 52.280 52.037 0.025 0.000 0.946 119 A CB 0.366 19.326 19.000 -0.066 0.000 1.049 119 A HN 0.737 nan 8.150 nan 0.000 0.529 120 V N -3.973 115.994 119.914 0.088 0.000 3.432 120 V HA 0.401 4.519 4.120 -0.002 0.000 0.298 120 V C 1.244 177.389 176.094 0.086 0.000 1.464 120 V CA 0.226 62.575 62.300 0.082 0.000 1.046 120 V CB -0.658 31.204 31.823 0.065 0.000 0.887 120 V HN 0.256 nan 8.190 nan 0.000 0.441 121 L N 1.085 122.381 121.223 0.122 0.000 2.814 121 L HA 0.300 4.638 4.340 -0.002 0.000 0.182 121 L C 2.401 179.267 176.870 -0.007 0.000 1.386 121 L CA 1.150 56.049 54.840 0.100 0.000 1.190 121 L CB -0.530 41.688 42.059 0.264 0.000 1.399 121 L HN 0.332 nan 8.230 nan 0.000 0.685 122 D N -1.511 118.890 120.400 0.002 0.000 2.305 122 D HA -0.097 4.541 4.640 -0.002 0.000 0.206 122 D C 1.760 178.083 176.300 0.037 0.000 0.974 122 D CA 0.997 54.974 54.000 -0.039 0.000 0.871 122 D CB -0.484 40.281 40.800 -0.060 0.000 0.947 122 D HN 0.169 nan 8.370 nan 0.000 0.516 123 T N 1.842 116.465 114.554 0.115 0.000 2.665 123 T HA -0.094 4.255 4.350 -0.002 0.000 0.268 123 T C -0.821 173.831 174.700 -0.079 0.000 1.035 123 T CA 1.947 64.080 62.100 0.056 0.000 1.151 123 T CB -1.083 67.915 68.868 0.217 0.000 0.862 123 T HN 0.254 nan 8.240 nan 0.000 0.438 124 P HA 0.095 nan 4.420 nan 0.000 0.219 124 P C 1.388 178.624 177.300 -0.108 0.000 1.150 124 P CA 0.755 63.807 63.100 -0.081 0.000 0.814 124 P CB -0.216 31.466 31.700 -0.029 0.000 0.787 125 I N -1.253 119.271 120.570 -0.077 0.000 2.226 125 I HA -0.217 3.952 4.170 -0.002 0.000 0.245 125 I C 2.261 178.351 176.117 -0.045 0.000 1.100 125 I CA 1.418 62.681 61.300 -0.060 0.000 1.374 125 I CB -0.569 37.390 38.000 -0.068 0.000 1.057 125 I HN -0.136 nan 8.210 nan 0.000 0.413 126 I N 0.633 121.152 120.570 -0.085 0.000 2.163 126 I HA -0.273 3.896 4.170 -0.002 0.000 0.240 126 I C 2.434 178.491 176.117 -0.100 0.000 1.081 126 I CA 1.654 62.915 61.300 -0.065 0.000 1.353 126 I CB -0.228 37.715 38.000 -0.094 0.000 1.054 126 I HN 0.107 nan 8.210 nan 0.000 0.407 127 I N 0.527 120.942 120.570 -0.259 0.000 2.315 127 I HA -0.163 4.005 4.170 -0.002 0.000 0.248 127 I C 2.669 178.599 176.117 -0.311 0.000 1.117 127 I CA 1.348 62.452 61.300 -0.326 0.000 1.404 127 I CB -0.926 36.720 38.000 -0.590 0.000 1.071 127 I HN 0.270 nan 8.210 nan 0.000 0.419 128 G N 0.565 109.219 108.800 -0.243 0.000 2.459 128 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.217 128 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.217 128 G C 1.424 176.238 174.900 -0.143 0.000 1.183 128 G CA 0.783 45.771 45.100 -0.187 0.000 0.776 128 G HN 0.545 nan 8.290 nan 0.000 0.552 129 W N 1.902 123.055 121.300 -0.244 0.000 2.335 129 W HA -0.029 4.630 4.660 -0.002 0.000 0.311 129 W C 2.735 179.063 176.519 -0.319 0.000 1.213 129 W CA 2.564 59.769 57.345 -0.233 0.000 1.274 129 W CB -0.276 29.076 29.460 -0.179 0.000 1.148 129 W HN 0.266 nan 8.180 nan 0.000 0.498 130 A N 0.284 122.874 122.820 -0.384 0.000 1.933 130 A HA -0.178 4.141 4.320 -0.002 0.000 0.218 130 A C 2.091 179.273 177.584 -0.670 0.000 1.175 130 A CA 1.855 53.479 52.037 -0.689 0.000 0.628 130 A CB -1.056 17.604 19.000 -0.566 0.000 0.814 130 A HN 0.436 nan 8.150 nan 0.000 0.444 131 L N -0.806 120.154 121.223 -0.438 0.000 2.093 131 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 131 L C 2.594 179.212 176.870 -0.421 0.000 1.085 131 L CA 0.872 55.501 54.840 -0.352 0.000 0.755 131 L CB -0.407 41.505 42.059 -0.246 0.000 0.904 131 L HN 0.344 nan 8.230 nan 0.000 0.435 132 Q N -0.196 119.325 119.800 -0.466 0.000 2.364 132 Q HA -0.140 4.199 4.340 -0.002 0.000 0.207 132 Q C 1.961 177.612 176.000 -0.581 0.000 0.970 132 Q CA 0.911 56.453 55.803 -0.435 0.000 0.888 132 Q CB -0.092 28.439 28.738 -0.345 0.000 0.951 132 Q HN 0.527 nan 8.270 nan 0.000 0.469 133 Q N -1.018 118.231 119.800 -0.918 0.000 2.424 133 Q HA 0.135 4.474 4.340 -0.002 0.000 0.204 133 Q C 0.997 176.469 176.000 -0.880 0.000 0.933 133 Q CA 0.823 55.970 55.803 -1.093 0.000 0.929 133 Q CB 0.521 28.076 28.738 -1.973 0.000 1.037 133 Q HN 0.485 nan 8.270 nan 0.000 0.511 134 G N 0.446 108.835 108.800 -0.684 0.000 2.141 134 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.242 134 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.242 134 G C -0.499 174.183 174.900 -0.363 0.000 0.982 134 G CA -0.216 44.614 45.100 -0.450 0.000 0.662 134 G HN 0.180 nan 8.290 nan 0.000 0.527 135 Y N 0.128 120.212 120.300 -0.359 0.000 2.346 135 Y HA 0.557 5.106 4.550 -0.001 0.000 0.330 135 Y C 1.015 176.817 175.900 -0.164 0.000 1.178 135 Y CA -1.782 56.163 58.100 -0.258 0.000 1.331 135 Y CB 0.100 38.453 38.460 -0.178 0.000 1.253 135 Y HN 0.208 nan 8.280 nan 0.000 0.529 136 Y N 0.994 121.403 120.300 0.181 0.000 2.442 136 Y HA 0.350 4.899 4.550 -0.002 0.000 0.330 136 Y C 0.146 176.233 175.900 0.310 0.000 1.129 136 Y CA -0.247 57.977 58.100 0.208 0.000 1.365 136 Y CB 0.373 38.928 38.460 0.158 0.000 1.233 136 Y HN 0.204 nan 8.280 nan 0.000 0.529 137 V N 5.092 125.308 119.914 0.503 0.000 2.417 137 V HA 0.454 4.572 4.120 -0.002 0.000 0.291 137 V C -0.662 175.777 176.094 0.575 0.000 1.024 137 V CA -0.892 61.749 62.300 0.569 0.000 0.861 137 V CB 1.700 33.826 31.823 0.505 0.000 0.985 137 V HN 0.535 nan 8.190 nan 0.000 0.436 138 V N 4.243 124.441 119.914 0.475 0.000 2.540 138 V HA 0.772 4.891 4.120 -0.002 0.000 0.302 138 V C -0.336 176.011 176.094 0.421 0.000 1.035 138 V CA 0.075 62.596 62.300 0.369 0.000 0.873 138 V CB 2.309 34.254 31.823 0.202 0.000 0.992 138 V HN 0.908 nan 8.190 nan 0.000 0.428 139 S N 4.729 120.703 115.700 0.456 0.000 2.756 139 S HA 0.620 5.089 4.470 -0.002 0.000 0.303 139 S C -0.355 174.496 174.600 0.419 0.000 1.135 139 S CA -0.447 58.060 58.200 0.512 0.000 1.066 139 S CB 1.197 64.872 63.200 0.793 0.000 1.008 139 S HN 0.909 nan 8.310 nan 0.000 0.482 140 S N 2.929 118.835 115.700 0.344 0.000 2.632 140 S HA 0.333 4.801 4.470 -0.002 0.000 0.271 140 S C -0.675 174.108 174.600 0.305 0.000 1.260 140 S CA -0.746 57.644 58.200 0.317 0.000 1.010 140 S CB 0.629 64.003 63.200 0.290 0.000 0.965 140 S HN 0.700 nan 8.310 nan 0.000 0.534 141 D N 2.097 122.638 120.400 0.235 0.000 2.508 141 D HA 0.072 4.711 4.640 -0.002 0.000 0.224 141 D C 1.384 177.700 176.300 0.027 0.000 1.171 141 D CA -0.084 53.980 54.000 0.107 0.000 1.006 141 D CB -0.167 40.725 40.800 0.154 0.000 1.073 141 D HN 0.639 nan 8.370 nan 0.000 0.513 142 H N 0.175 119.319 119.070 0.123 0.000 2.521 142 H HA 0.007 4.562 4.556 -0.002 0.000 0.286 142 H C 0.548 175.907 175.328 0.051 0.000 1.034 142 H CA 0.647 56.745 56.048 0.084 0.000 1.278 142 H CB 0.318 30.131 29.762 0.085 0.000 1.386 142 H HN 0.356 nan 8.280 nan 0.000 0.567 143 E N 1.161 121.276 120.200 -0.142 0.000 2.435 143 E HA 0.156 4.504 4.350 -0.002 0.000 0.195 143 E C 0.970 177.561 176.600 -0.015 0.000 1.029 143 E CA 0.257 56.649 56.400 -0.013 0.000 0.865 143 E CB 0.249 29.944 29.700 -0.008 0.000 0.833 143 E HN 0.655 nan 8.360 nan 0.000 0.510 144 G N 0.829 109.595 108.800 -0.058 0.000 2.782 144 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.228 144 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.228 144 G C 0.113 175.021 174.900 0.013 0.000 1.372 144 G CA -0.288 44.730 45.100 -0.137 0.000 0.862 144 G HN 0.133 nan 8.290 nan 0.000 0.547 145 F N 0.436 120.360 119.950 -0.043 0.000 2.407 145 F HA 0.107 4.633 4.527 -0.002 0.000 0.299 145 F C 2.604 178.377 175.800 -0.045 0.000 1.097 145 F CA 1.648 59.624 58.000 -0.039 0.000 1.422 145 F CB -0.211 38.760 39.000 -0.049 0.000 1.067 145 F HN 0.429 nan 8.300 nan 0.000 0.539 146 K N -0.001 120.482 120.400 0.139 0.000 2.426 146 K HA 0.334 4.653 4.320 -0.002 0.000 0.193 146 K C 0.961 177.607 176.600 0.077 0.000 1.028 146 K CA 0.610 56.948 56.287 0.085 0.000 1.047 146 K CB -0.048 32.483 32.500 0.051 0.000 0.821 146 K HN 0.036 nan 8.250 nan 0.000 0.513 147 A N 1.135 124.000 122.820 0.076 0.000 2.667 147 A HA -0.213 4.105 4.320 -0.002 0.000 0.298 147 A C 0.433 178.085 177.584 0.114 0.000 1.483 147 A CA 0.623 52.709 52.037 0.083 0.000 0.738 147 A CB -2.045 17.004 19.000 0.083 0.000 1.067 147 A HN 0.379 nan 8.150 nan 0.000 0.451 148 A N 0.491 123.363 122.820 0.087 0.000 2.990 148 A HA 0.508 4.826 4.320 -0.002 0.000 0.282 148 A C 0.091 177.750 177.584 0.127 0.000 1.688 148 A CA 0.040 52.128 52.037 0.085 0.000 1.391 148 A CB -0.715 18.293 19.000 0.014 0.000 1.112 148 A HN 1.638 nan 8.150 nan 0.000 0.588 149 F N 2.397 122.372 119.950 0.042 0.000 2.608 149 F HA 0.203 4.728 4.527 -0.002 0.000 0.380 149 F C 0.848 176.650 175.800 0.003 0.000 1.083 149 F CA 0.343 58.375 58.000 0.053 0.000 1.266 149 F CB 0.026 39.080 39.000 0.089 0.000 1.076 149 F HN 0.506 nan 8.300 nan 0.000 0.574 150 I N 3.176 123.294 120.570 -0.754 0.000 5.582 150 I HA -0.276 3.892 4.170 -0.002 0.000 0.139 150 I C 0.201 176.077 176.117 -0.402 0.000 1.814 150 I CA 0.950 61.687 61.300 -0.938 0.000 2.037 150 I CB -1.663 35.543 38.000 -1.325 0.000 3.362 150 I HN 0.820 nan 8.210 nan 0.000 0.169 151 A N 0.589 123.280 122.820 -0.215 0.000 2.437 151 A HA 0.654 4.973 4.320 -0.002 0.000 0.303 151 A C 1.600 178.971 177.584 -0.356 0.000 1.324 151 A CA 0.352 52.276 52.037 -0.189 0.000 0.983 151 A CB -0.076 18.856 19.000 -0.114 0.000 1.142 151 A HN 0.651 nan 8.150 nan 0.000 0.541 152 G N 1.152 109.471 108.800 -0.801 0.000 2.421 152 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.216 152 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.216 152 G C 1.112 175.254 174.900 -1.263 0.000 1.171 152 G CA 1.395 45.365 45.100 -1.882 0.000 0.775 152 G HN 0.768 nan 8.290 nan 0.000 0.543 153 Y N 0.527 120.349 120.300 -0.796 0.000 2.200 153 Y HA 0.030 4.578 4.550 -0.002 0.000 0.290 153 Y C 2.751 178.468 175.900 -0.305 0.000 1.137 153 Y CA 1.300 59.161 58.100 -0.398 0.000 1.163 153 Y CB -0.384 37.891 38.460 -0.308 0.000 0.988 153 Y HN 0.261 nan 8.280 nan 0.000 0.518 154 E N 0.709 120.824 120.200 -0.142 0.000 2.049 154 E HA -0.231 4.118 4.350 -0.002 0.000 0.198 154 E C 1.886 178.429 176.600 -0.094 0.000 1.007 154 E CA 1.972 58.296 56.400 -0.126 0.000 0.809 154 E CB -0.071 29.558 29.700 -0.118 0.000 0.749 154 E HN 0.522 nan 8.360 nan 0.000 0.450 155 E N -0.951 119.189 120.200 -0.099 0.000 2.047 155 E HA -0.104 4.245 4.350 -0.002 0.000 0.191 155 E C 2.136 178.733 176.600 -0.006 0.000 0.987 155 E CA 0.848 57.250 56.400 0.003 0.000 0.799 155 E CB -0.346 29.359 29.700 0.008 0.000 0.752 155 E HN 0.423 nan 8.360 nan 0.000 0.449 156 G N 1.116 109.882 108.800 -0.056 0.000 2.421 156 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.216 156 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.216 156 G C 1.582 176.470 174.900 -0.020 0.000 1.171 156 G CA 0.801 45.904 45.100 0.006 0.000 0.775 156 G HN 0.076 nan 8.290 nan 0.000 0.543 157 M N 0.702 120.214 119.600 -0.147 0.000 2.132 157 M HA 0.020 4.499 4.480 -0.002 0.000 0.263 157 M C 3.074 179.381 176.300 0.012 0.000 1.065 157 M CA 1.296 56.419 55.300 -0.296 0.000 1.122 157 M CB -0.240 31.991 32.600 -0.616 0.000 1.365 157 M HN 0.320 nan 8.290 nan 0.000 0.411 158 A N 0.636 123.478 122.820 0.036 0.000 1.902 158 A HA -0.148 4.170 4.320 -0.002 0.000 0.217 158 A C 2.041 179.762 177.584 0.229 0.000 1.181 158 A CA 1.540 53.666 52.037 0.150 0.000 0.623 158 A CB -0.860 18.194 19.000 0.090 0.000 0.818 158 A HN 0.454 nan 8.150 nan 0.000 0.443 159 I N -0.539 120.124 120.570 0.157 0.000 2.252 159 I HA -0.219 3.950 4.170 -0.002 0.000 0.245 159 I C 2.298 178.480 176.117 0.109 0.000 1.102 159 I CA 0.973 62.353 61.300 0.133 0.000 1.385 159 I CB -0.240 37.814 38.000 0.091 0.000 1.064 159 I HN 0.270 nan 8.210 nan 0.000 0.414 160 L N 0.012 121.320 121.223 0.142 0.000 2.093 160 L HA -0.194 4.145 4.340 -0.002 0.000 0.208 160 L C 1.968 178.925 176.870 0.144 0.000 1.085 160 L CA 1.095 56.033 54.840 0.163 0.000 0.755 160 L CB -0.582 41.643 42.059 0.277 0.000 0.904 160 L HN 0.246 nan 8.230 nan 0.000 0.435 161 D N -0.032 120.492 120.400 0.206 0.000 2.183 161 D HA -0.086 4.553 4.640 -0.002 0.000 0.203 161 D C 2.143 178.313 176.300 -0.216 0.000 0.969 161 D CA 1.289 55.377 54.000 0.147 0.000 0.842 161 D CB -0.102 40.927 40.800 0.381 0.000 0.957 161 D HN 0.323 nan 8.370 nan 0.000 0.484 162 G N 1.089 109.714 108.800 -0.291 0.000 2.418 162 G HA2 -0.214 3.744 3.960 -0.002 0.000 0.217 162 G HA3 -0.214 3.744 3.960 -0.002 0.000 0.217 162 G C 1.786 176.509 174.900 -0.295 0.000 1.158 162 G CA 0.301 45.050 45.100 -0.584 0.000 0.771 162 G HN 0.262 nan 8.290 nan 0.000 0.545 163 I N 0.011 120.517 120.570 -0.107 0.000 2.252 163 I HA -0.117 4.052 4.170 -0.002 0.000 0.245 163 I C 3.009 179.091 176.117 -0.059 0.000 1.102 163 I CA 0.865 62.142 61.300 -0.038 0.000 1.385 163 I CB -0.167 37.841 38.000 0.013 0.000 1.064 163 I HN 0.057 nan 8.210 nan 0.000 0.414 164 R N 0.709 121.167 120.500 -0.071 0.000 2.081 164 R HA -0.126 4.213 4.340 -0.002 0.000 0.235 164 R C 2.484 178.735 176.300 -0.083 0.000 1.131 164 R CA 1.444 57.510 56.100 -0.058 0.000 0.960 164 R CB -0.489 29.793 30.300 -0.029 0.000 0.856 164 R HN 0.373 nan 8.270 nan 0.000 0.436 165 A N 1.248 123.956 122.820 -0.186 0.000 1.883 165 A HA -0.184 4.135 4.320 -0.002 0.000 0.217 165 A C 2.078 179.617 177.584 -0.075 0.000 1.186 165 A CA 1.291 53.218 52.037 -0.184 0.000 0.624 165 A CB -0.557 18.156 19.000 -0.477 0.000 0.822 165 A HN 0.267 nan 8.150 nan 0.000 0.444 166 L N -0.163 121.011 121.223 -0.081 0.000 2.046 166 L HA -0.142 4.197 4.340 -0.002 0.000 0.208 166 L C 2.186 179.051 176.870 -0.009 0.000 1.077 166 L CA 2.336 57.178 54.840 0.004 0.000 0.747 166 L CB -0.579 41.496 42.059 0.025 0.000 0.896 166 L HN 0.356 nan 8.230 nan 0.000 0.432 167 K N -0.447 119.925 120.400 -0.046 0.000 2.063 167 K HA -0.161 4.158 4.320 -0.002 0.000 0.208 167 K C 1.918 178.486 176.600 -0.054 0.000 1.048 167 K CA 1.596 57.840 56.287 -0.071 0.000 0.928 167 K CB -0.318 32.150 32.500 -0.054 0.000 0.713 167 K HN 0.393 nan 8.250 nan 0.000 0.442 168 N N 0.195 118.885 118.700 -0.016 0.000 2.188 168 N HA -0.174 4.565 4.740 -0.002 0.000 0.184 168 N C 1.670 177.192 175.510 0.020 0.000 1.018 168 N CA 1.089 54.142 53.050 0.004 0.000 0.858 168 N CB -0.337 38.168 38.487 0.031 0.000 0.989 168 N HN 0.238 nan 8.380 nan 0.000 0.426 169 Y N 1.458 121.705 120.300 -0.089 0.000 2.220 169 Y HA -0.013 4.536 4.550 -0.002 0.000 0.291 169 Y C 1.773 177.595 175.900 -0.131 0.000 1.129 169 Y CA 1.358 59.395 58.100 -0.106 0.000 1.161 169 Y CB 0.075 38.466 38.460 -0.116 0.000 0.997 169 Y HN -0.027 nan 8.280 nan 0.000 0.522 170 Q N 0.500 120.201 119.800 -0.165 0.000 2.280 170 Q HA 0.048 4.387 4.340 -0.002 0.000 0.201 170 Q C -0.181 175.689 176.000 -0.216 0.000 0.890 170 Q CA 0.326 55.977 55.803 -0.254 0.000 0.947 170 Q CB -0.234 28.360 28.738 -0.240 0.000 1.081 170 Q HN 0.564 nan 8.270 nan 0.000 0.502 171 N N 0.181 118.780 118.700 -0.169 0.000 2.727 171 N HA -0.186 4.553 4.740 -0.002 0.000 0.249 171 N C -1.019 174.418 175.510 -0.121 0.000 1.048 171 N CA 0.283 53.258 53.050 -0.125 0.000 0.714 171 N CB -1.097 37.322 38.487 -0.113 0.000 0.959 171 N HN 0.240 nan 8.380 nan 0.000 0.544 172 L N -0.077 121.056 121.223 -0.150 0.000 2.417 172 L HA 0.396 4.735 4.340 -0.002 0.000 0.268 172 L C -1.387 175.430 176.870 -0.089 0.000 1.158 172 L CA -1.679 53.069 54.840 -0.153 0.000 0.819 172 L CB 0.204 42.125 42.059 -0.231 0.000 1.112 172 L HN -0.042 nan 8.230 nan 0.000 0.458 173 P HA -0.023 nan 4.420 nan 0.000 0.267 173 P C 0.516 177.797 177.300 -0.033 0.000 1.200 173 P CA -0.106 62.971 63.100 -0.038 0.000 0.772 173 P CB 0.601 32.286 31.700 -0.024 0.000 0.855 174 S N 0.576 116.262 115.700 -0.024 0.000 2.419 174 S HA -0.176 4.293 4.470 -0.002 0.000 0.233 174 S C 1.060 175.654 174.600 -0.010 0.000 1.016 174 S CA 1.354 59.543 58.200 -0.018 0.000 0.974 174 S CB -0.739 62.453 63.200 -0.014 0.000 0.786 174 S HN 0.614 nan 8.310 nan 0.000 0.492 175 D N 1.085 121.482 120.400 -0.005 0.000 2.358 175 D HA 0.170 4.809 4.640 -0.002 0.000 0.224 175 D C -0.370 175.936 176.300 0.011 0.000 1.123 175 D CA -0.267 53.736 54.000 0.004 0.000 0.833 175 D CB -0.453 40.351 40.800 0.007 0.000 0.946 175 D HN 0.198 nan 8.370 nan 0.000 0.505 176 S N 0.795 116.498 115.700 0.004 0.000 2.552 176 S HA 0.007 4.476 4.470 -0.002 0.000 0.289 176 S C 0.459 175.087 174.600 0.047 0.000 1.304 176 S CA -0.144 58.065 58.200 0.014 0.000 1.063 176 S CB 0.761 63.954 63.200 -0.011 0.000 0.848 176 S HN 0.183 nan 8.310 nan 0.000 0.499 177 K N 1.946 122.397 120.400 0.085 0.000 2.350 177 K HA 0.308 4.626 4.320 -0.002 0.000 0.279 177 K C -0.732 176.041 176.600 0.289 0.000 1.027 177 K CA -0.218 56.177 56.287 0.180 0.000 0.969 177 K CB 0.532 33.205 32.500 0.289 0.000 0.954 177 K HN 0.283 nan 8.250 nan 0.000 0.474 178 V N 1.903 121.925 119.914 0.180 0.000 2.540 178 V HA 0.637 4.756 4.120 -0.002 0.000 0.302 178 V C -0.498 175.553 176.094 -0.072 0.000 1.035 178 V CA -0.910 61.464 62.300 0.124 0.000 0.873 178 V CB 1.577 33.406 31.823 0.010 0.000 0.992 178 V HN 0.911 nan 8.190 nan 0.000 0.428 179 A N 4.830 127.614 122.820 -0.059 0.000 2.435 179 A HA 0.999 5.317 4.320 -0.002 0.000 0.304 179 A C -1.470 176.035 177.584 -0.132 0.000 1.064 179 A CA -0.548 51.337 52.037 -0.253 0.000 0.727 179 A CB 1.568 20.200 19.000 -0.614 0.000 1.284 179 A HN 0.693 nan 8.150 nan 0.000 0.415 180 L N 1.004 122.170 121.223 -0.094 0.000 2.362 180 L HA 0.752 5.090 4.340 -0.002 0.000 0.271 180 L C 0.005 176.893 176.870 0.030 0.000 1.002 180 L CA -0.197 54.597 54.840 -0.077 0.000 0.818 180 L CB 1.998 44.056 42.059 -0.002 0.000 1.298 180 L HN 0.761 nan 8.230 nan 0.000 0.420 181 E N 0.843 121.042 120.200 -0.002 0.000 2.343 181 E HA 0.785 5.133 4.350 -0.002 0.000 0.278 181 E C -1.343 175.380 176.600 0.205 0.000 0.910 181 E CA -0.554 55.989 56.400 0.239 0.000 0.757 181 E CB 2.735 32.690 29.700 0.425 0.000 1.218 181 E HN 0.723 nan 8.360 nan 0.000 0.435 182 G N 1.677 110.654 108.800 0.295 0.000 2.519 182 G HA2 0.380 4.339 3.960 -0.002 0.000 0.292 182 G HA3 0.380 4.339 3.960 -0.002 0.000 0.292 182 G C -2.378 172.693 174.900 0.284 0.000 1.507 182 G CA -0.653 44.556 45.100 0.182 0.000 0.806 182 G HN 0.307 nan 8.290 nan 0.000 0.523 183 Y N 0.754 121.166 120.300 0.186 0.000 2.536 183 Y HA 0.659 5.208 4.550 -0.002 0.000 0.347 183 Y C 1.016 176.983 175.900 0.112 0.000 1.000 183 Y CA 0.918 59.062 58.100 0.073 0.000 1.051 183 Y CB 2.272 40.834 38.460 0.170 0.000 1.259 183 Y HN 1.515 nan 8.280 nan 0.000 0.468 184 S N 1.758 117.115 115.700 -0.570 0.000 4.064 184 S HA -0.316 4.153 4.470 -0.002 0.000 0.625 184 S C 1.514 176.115 174.600 0.002 0.000 2.010 184 S CA 1.779 59.843 58.200 -0.226 0.000 4.186 184 S CB -1.665 61.591 63.200 0.094 0.000 0.211 184 S HN 1.566 nan 8.310 nan 0.000 0.605 185 G N 0.789 109.705 108.800 0.194 0.000 2.450 185 G HA2 0.050 4.008 3.960 -0.002 0.000 0.220 185 G HA3 0.050 4.008 3.960 -0.002 0.000 0.220 185 G C 1.470 176.495 174.900 0.208 0.000 1.130 185 G CA 1.360 46.629 45.100 0.283 0.000 0.760 185 G HN 1.350 nan 8.290 nan 0.000 0.557 186 G N 0.634 109.554 108.800 0.200 0.000 2.448 186 G HA2 0.153 4.112 3.960 -0.002 0.000 0.218 186 G HA3 0.153 4.112 3.960 -0.002 0.000 0.218 186 G C 1.882 176.745 174.900 -0.062 0.000 1.135 186 G CA 1.276 46.389 45.100 0.023 0.000 0.784 186 G HN 0.598 nan 8.290 nan 0.000 0.543 187 A N -0.119 122.672 122.820 -0.048 0.000 1.970 187 A HA 0.017 4.336 4.320 -0.002 0.000 0.216 187 A C 2.039 179.486 177.584 -0.228 0.000 1.170 187 A CA 1.518 53.468 52.037 -0.146 0.000 0.645 187 A CB -0.672 18.204 19.000 -0.208 0.000 0.816 187 A HN 0.488 nan 8.150 nan 0.000 0.447 188 H N 0.375 119.330 119.070 -0.192 0.000 2.321 188 H HA -0.085 4.470 4.556 -0.002 0.000 0.300 188 H C 2.222 177.508 175.328 -0.070 0.000 1.087 188 H CA 1.765 57.737 56.048 -0.126 0.000 1.319 188 H CB -0.185 29.524 29.762 -0.087 0.000 1.379 188 H HN 0.386 nan 8.280 nan 0.000 0.501 189 A N 0.254 123.008 122.820 -0.110 0.000 1.902 189 A HA -0.153 4.165 4.320 -0.002 0.000 0.217 189 A C 2.659 180.125 177.584 -0.196 0.000 1.181 189 A CA 2.140 54.041 52.037 -0.226 0.000 0.623 189 A CB -1.036 17.605 19.000 -0.598 0.000 0.818 189 A HN 0.552 nan 8.150 nan 0.000 0.443 190 T N -0.825 113.597 114.554 -0.220 0.000 2.674 190 T HA -0.131 4.217 4.350 -0.002 0.000 0.265 190 T C 1.862 176.405 174.700 -0.261 0.000 1.039 190 T CA 1.479 63.468 62.100 -0.184 0.000 1.150 190 T CB -0.601 68.193 68.868 -0.123 0.000 0.864 190 T HN 0.188 nan 8.240 nan 0.000 0.427 191 V N -0.313 119.277 119.914 -0.541 0.000 2.407 191 V HA -0.140 3.979 4.120 -0.002 0.000 0.248 191 V C 1.927 177.766 176.094 -0.425 0.000 1.055 191 V CA 1.588 63.525 62.300 -0.605 0.000 1.049 191 V CB -0.516 30.771 31.823 -0.893 0.000 0.662 191 V HN 0.653 nan 8.190 nan 0.000 0.455 192 W N -0.170 120.872 121.300 -0.431 0.000 2.388 192 W HA 0.001 4.660 4.660 -0.002 0.000 0.294 192 W C 2.532 178.925 176.519 -0.210 0.000 1.212 192 W CA 1.548 58.673 57.345 -0.367 0.000 1.271 192 W CB -0.438 28.723 29.460 -0.499 0.000 1.126 192 W HN 0.287 nan 8.180 nan 0.000 0.535 193 A N 0.032 122.880 122.820 0.046 0.000 1.902 193 A HA -0.233 4.086 4.320 -0.002 0.000 0.217 193 A C 1.970 179.610 177.584 0.093 0.000 1.181 193 A CA 2.574 54.650 52.037 0.065 0.000 0.623 193 A CB -1.545 17.480 19.000 0.042 0.000 0.818 193 A HN 0.315 nan 8.150 nan 0.000 0.443 194 T N -2.997 111.610 114.554 0.089 0.000 2.867 194 T HA -0.083 4.266 4.350 -0.002 0.000 0.268 194 T C 1.938 176.711 174.700 0.123 0.000 1.057 194 T CA 1.800 64.024 62.100 0.206 0.000 1.136 194 T CB -0.490 68.564 68.868 0.310 0.000 0.874 194 T HN 0.258 nan 8.240 nan 0.000 0.466 195 S N 1.342 117.038 115.700 -0.008 0.000 2.406 195 S HA 0.241 4.710 4.470 -0.002 0.000 0.228 195 S C 1.773 176.401 174.600 0.048 0.000 1.020 195 S CA 0.691 58.855 58.200 -0.058 0.000 0.965 195 S CB -0.326 62.689 63.200 -0.308 0.000 0.798 195 S HN 0.454 nan 8.310 nan 0.000 0.488 196 L N 0.690 121.976 121.223 0.106 0.000 2.567 196 L HA 0.240 4.579 4.340 -0.002 0.000 0.225 196 L C 2.449 179.444 176.870 0.209 0.000 1.119 196 L CA 0.280 55.224 54.840 0.173 0.000 0.871 196 L CB -0.485 41.676 42.059 0.171 0.000 1.036 196 L HN 0.262 nan 8.230 nan 0.000 0.459 197 A N 0.665 123.598 122.820 0.187 0.000 1.908 197 A HA -0.304 4.014 4.320 -0.002 0.000 0.218 197 A C 1.941 179.627 177.584 0.170 0.000 1.181 197 A CA 2.352 54.504 52.037 0.192 0.000 0.627 197 A CB -0.518 18.601 19.000 0.199 0.000 0.818 197 A HN 0.414 nan 8.150 nan 0.000 0.445 198 D N -0.473 120.020 120.400 0.155 0.000 2.144 198 D HA -0.133 4.506 4.640 -0.002 0.000 0.199 198 D C 2.265 178.635 176.300 0.116 0.000 0.984 198 D CA 1.974 56.048 54.000 0.123 0.000 0.834 198 D CB 0.037 40.897 40.800 0.101 0.000 0.955 198 D HN 0.516 nan 8.370 nan 0.000 0.465 199 S N -1.775 114.013 115.700 0.146 0.000 2.441 199 S HA -0.049 4.419 4.470 -0.002 0.000 0.224 199 S C 1.967 176.675 174.600 0.180 0.000 1.043 199 S CA 0.026 58.315 58.200 0.148 0.000 0.948 199 S CB -0.548 62.748 63.200 0.161 0.000 0.810 199 S HN 0.389 nan 8.310 nan 0.000 0.504 200 Y N 2.254 122.603 120.300 0.080 0.000 2.389 200 Y HA 0.585 5.134 4.550 -0.002 0.000 0.292 200 Y C 1.177 177.114 175.900 0.062 0.000 1.117 200 Y CA 0.273 58.417 58.100 0.074 0.000 1.195 200 Y CB 0.211 38.725 38.460 0.090 0.000 1.076 200 Y HN 0.370 nan 8.280 nan 0.000 0.548 201 A N 0.922 123.801 122.820 0.098 0.000 3.317 201 A HA 0.396 4.715 4.320 -0.002 0.000 0.307 201 A C -2.228 175.382 177.584 0.043 0.000 1.003 201 A CA -0.923 51.123 52.037 0.014 0.000 0.882 201 A CB -0.115 18.931 19.000 0.077 0.000 1.136 201 A HN 0.200 nan 8.150 nan 0.000 0.488 202 P HA -0.122 nan 4.420 nan 0.000 0.229 202 P C 1.018 178.336 177.300 0.029 0.000 1.160 202 P CA 0.968 64.095 63.100 0.044 0.000 0.777 202 P CB 0.324 32.046 31.700 0.037 0.000 0.814 203 E N 0.668 120.873 120.200 0.009 0.000 2.427 203 E HA -0.053 4.296 4.350 -0.002 0.000 0.196 203 E C 0.483 177.087 176.600 0.006 0.000 1.028 203 E CA 0.116 56.518 56.400 0.003 0.000 0.864 203 E CB -0.795 28.899 29.700 -0.010 0.000 0.813 203 E HN 0.307 nan 8.360 nan 0.000 0.514 204 L N 2.754 123.984 121.223 0.011 0.000 2.361 204 L HA 0.118 4.457 4.340 -0.002 0.000 0.278 204 L C 0.519 177.388 176.870 -0.001 0.000 1.113 204 L CA -0.435 54.408 54.840 0.006 0.000 0.849 204 L CB 0.200 42.266 42.059 0.011 0.000 1.155 204 L HN -0.075 nan 8.230 nan 0.000 0.452 205 N N 4.964 123.661 118.700 -0.005 0.000 2.895 205 N HA 0.178 4.917 4.740 -0.002 0.000 0.277 205 N C -0.411 175.062 175.510 -0.063 0.000 1.185 205 N CA -0.082 52.960 53.050 -0.012 0.000 1.106 205 N CB -0.172 38.320 38.487 0.009 0.000 1.422 205 N HN 0.413 nan 8.380 nan 0.000 0.521 206 I N 2.190 122.671 120.570 -0.148 0.000 2.379 206 I HA -0.016 4.153 4.170 -0.002 0.000 0.290 206 I C 1.484 177.315 176.117 -0.475 0.000 1.063 206 I CA -0.426 60.645 61.300 -0.380 0.000 1.351 206 I CB 0.995 38.632 38.000 -0.605 0.000 1.410 206 I HN 0.241 nan 8.210 nan 0.000 0.505 207 V N 2.834 122.522 119.914 -0.375 0.000 3.644 207 V HA 0.578 4.697 4.120 -0.002 0.000 0.267 207 V C 0.702 176.664 176.094 -0.221 0.000 1.277 207 V CA 0.444 62.605 62.300 -0.231 0.000 1.096 207 V CB -0.118 31.621 31.823 -0.141 0.000 0.828 207 V HN 0.812 nan 8.190 nan 0.000 0.446 208 G N -1.044 107.539 108.800 -0.361 0.000 2.547 208 G HA2 0.781 4.740 3.960 -0.002 0.000 0.291 208 G HA3 0.781 4.740 3.960 -0.002 0.000 0.291 208 G C -1.503 173.419 174.900 0.037 0.000 1.471 208 G CA -0.090 45.000 45.100 -0.016 0.000 0.798 208 G HN 1.082 nan 8.290 nan 0.000 0.504 209 A N -0.580 122.486 122.820 0.409 0.000 2.594 209 A HA 0.928 5.247 4.320 -0.002 0.000 0.295 209 A C -0.722 177.115 177.584 0.422 0.000 1.071 209 A CA -0.105 52.163 52.037 0.385 0.000 0.685 209 A CB 1.888 21.188 19.000 0.500 0.000 1.285 209 A HN 1.925 nan 8.150 nan 0.000 0.405 210 S N 0.479 116.422 115.700 0.405 0.000 2.736 210 S HA 0.698 5.167 4.470 -0.002 0.000 0.285 210 S C -1.226 173.659 174.600 0.475 0.000 1.163 210 S CA -0.435 58.033 58.200 0.447 0.000 1.025 210 S CB 0.358 63.923 63.200 0.609 0.000 1.030 210 S HN 1.495 nan 8.310 nan 0.000 0.486 211 H N 0.866 120.097 119.070 0.268 0.000 2.996 211 H HA 0.842 5.397 4.556 -0.002 0.000 0.368 211 H C -0.132 174.853 175.328 -0.571 0.000 1.185 211 H CA -0.922 55.094 56.048 -0.054 0.000 1.160 211 H CB 1.169 30.881 29.762 -0.083 0.000 1.820 211 H HN 0.716 nan 8.280 nan 0.000 0.547 212 G N -0.779 107.390 108.800 -1.052 0.000 2.642 212 G HA2 0.486 4.444 3.960 -0.002 0.000 0.293 212 G HA3 0.486 4.444 3.960 -0.002 0.000 0.293 212 G C 0.321 174.420 174.900 -1.335 0.000 1.341 212 G CA -0.942 43.190 45.100 -1.613 0.000 0.916 212 G HN 1.518 nan 8.290 nan 0.000 0.474 213 G N -0.019 108.009 108.800 -1.287 0.000 2.356 213 G HA2 -0.139 3.819 3.960 -0.002 0.000 0.296 213 G HA3 -0.139 3.819 3.960 -0.002 0.000 0.296 213 G C 0.340 174.822 174.900 -0.696 0.000 1.022 213 G CA 0.598 44.883 45.100 -1.359 0.000 0.961 213 G HN 1.076 nan 8.290 nan 0.000 0.510 214 T N 1.684 116.054 114.554 -0.308 0.000 2.761 214 T HA 0.466 4.814 4.350 -0.002 0.000 0.296 214 T C -2.208 172.466 174.700 -0.042 0.000 0.934 214 T CA -0.848 61.173 62.100 -0.132 0.000 1.091 214 T CB 1.815 70.661 68.868 -0.036 0.000 0.896 214 T HN 0.174 nan 8.240 nan 0.000 0.515 215 P HA 0.200 nan 4.420 nan 0.000 0.280 215 P C 0.819 178.136 177.300 0.028 0.000 1.300 215 P CA -0.459 62.630 63.100 -0.017 0.000 0.785 215 P CB 0.581 32.263 31.700 -0.031 0.000 0.874 216 V N 0.721 120.594 119.914 -0.069 0.000 3.621 216 V HA 0.229 4.348 4.120 -0.002 0.000 0.263 216 V C 0.639 176.714 176.094 -0.032 0.000 1.272 216 V CA 0.352 62.551 62.300 -0.169 0.000 1.080 216 V CB 0.056 31.665 31.823 -0.357 0.000 0.816 216 V HN 0.456 nan 8.190 nan 0.000 0.451 217 S N -0.047 115.667 115.700 0.024 0.000 2.647 217 S HA 0.770 5.239 4.470 -0.002 0.000 0.300 217 S C 0.919 175.566 174.600 0.078 0.000 1.129 217 S CA 0.115 58.353 58.200 0.063 0.000 1.029 217 S CB 1.756 64.971 63.200 0.025 0.000 1.007 217 S HN 0.657 nan 8.310 nan 0.000 0.484 218 A N 5.272 128.150 122.820 0.097 0.000 1.883 218 A HA -0.065 4.253 4.320 -0.002 0.000 0.217 218 A C 2.042 179.680 177.584 0.090 0.000 1.186 218 A CA 1.727 53.794 52.037 0.049 0.000 0.624 218 A CB -0.578 18.431 19.000 0.015 0.000 0.822 218 A HN 0.836 nan 8.150 nan 0.000 0.444 219 K N -0.681 119.771 120.400 0.086 0.000 2.026 219 K HA -0.189 4.130 4.320 -0.002 0.000 0.208 219 K C 1.310 178.028 176.600 0.196 0.000 1.048 219 K CA 1.689 58.049 56.287 0.121 0.000 0.929 219 K CB -0.218 32.329 32.500 0.078 0.000 0.713 219 K HN 0.373 nan 8.250 nan 0.000 0.439 220 D N -0.146 120.335 120.400 0.135 0.000 2.178 220 D HA -0.094 4.544 4.640 -0.002 0.000 0.202 220 D C 1.728 178.125 176.300 0.160 0.000 0.974 220 D CA 1.280 55.358 54.000 0.130 0.000 0.841 220 D CB -0.256 40.575 40.800 0.051 0.000 0.953 220 D HN 0.287 nan 8.370 nan 0.000 0.478 221 T N 0.316 114.954 114.554 0.140 0.000 2.857 221 T HA -0.096 4.252 4.350 -0.002 0.000 0.266 221 T C 1.735 176.586 174.700 0.250 0.000 1.048 221 T CA 0.381 62.575 62.100 0.156 0.000 1.139 221 T CB -0.416 68.499 68.868 0.078 0.000 0.874 221 T HN 0.122 nan 8.240 nan 0.000 0.455 222 F N 2.911 122.928 119.950 0.112 0.000 2.069 222 F HA -0.212 4.313 4.527 -0.002 0.000 0.298 222 F C 2.678 178.554 175.800 0.126 0.000 1.113 222 F CA 1.957 60.017 58.000 0.102 0.000 1.214 222 F CB -0.786 38.247 39.000 0.055 0.000 0.978 222 F HN 0.227 nan 8.300 nan 0.000 0.474 223 T N -1.847 112.885 114.554 0.296 0.000 2.915 223 T HA -0.229 4.120 4.350 -0.002 0.000 0.269 223 T C 1.889 176.670 174.700 0.136 0.000 1.071 223 T CA 1.214 63.436 62.100 0.204 0.000 1.132 223 T CB -1.270 67.770 68.868 0.288 0.000 0.878 223 T HN 0.354 nan 8.240 nan 0.000 0.479 224 F N 1.637 121.609 119.950 0.036 0.000 2.146 224 F HA 0.231 4.757 4.527 -0.002 0.000 0.298 224 F C 1.909 177.713 175.800 0.008 0.000 1.096 224 F CA 0.984 59.004 58.000 0.032 0.000 1.275 224 F CB -0.219 38.808 39.000 0.044 0.000 1.008 224 F HN 0.084 nan 8.300 nan 0.000 0.480 225 L N -0.536 120.717 121.223 0.050 0.000 2.249 225 L HA -0.036 4.303 4.340 -0.002 0.000 0.207 225 L C 0.500 177.282 176.870 -0.146 0.000 1.090 225 L CA 0.064 54.894 54.840 -0.017 0.000 0.802 225 L CB -0.699 41.439 42.059 0.132 0.000 0.947 225 L HN -0.001 nan 8.230 nan 0.000 0.453 226 N N 0.757 119.268 118.700 -0.316 0.000 2.411 226 N HA 0.088 4.826 4.740 -0.002 0.000 0.261 226 N C 1.021 176.427 175.510 -0.174 0.000 1.248 226 N CA 1.330 54.137 53.050 -0.404 0.000 0.885 226 N CB 0.757 38.806 38.487 -0.729 0.000 1.062 226 N HN 0.329 nan 8.380 nan 0.000 0.471 227 G N 1.173 109.909 108.800 -0.106 0.000 2.205 227 G HA2 -0.190 3.768 3.960 -0.002 0.000 0.261 227 G HA3 -0.190 3.768 3.960 -0.002 0.000 0.261 227 G C 0.518 175.472 174.900 0.091 0.000 0.980 227 G CA 0.364 45.470 45.100 0.010 0.000 0.632 227 G HN 0.935 nan 8.290 nan 0.000 0.533 228 G N -0.110 108.701 108.800 0.019 0.000 2.568 228 G HA2 0.687 4.646 3.960 -0.002 0.000 0.293 228 G HA3 0.687 4.646 3.960 -0.002 0.000 0.293 228 G C -0.552 174.250 174.900 -0.165 0.000 1.347 228 G CA -0.141 44.992 45.100 0.054 0.000 1.039 228 G HN 0.081 nan 8.290 nan 0.000 0.523 229 P HA -0.001 nan 4.420 nan 0.000 0.223 229 P C 0.279 177.126 177.300 -0.755 0.000 1.151 229 P CA 0.905 63.513 63.100 -0.820 0.000 0.787 229 P CB 0.126 31.455 31.700 -0.619 0.000 0.788 230 F N -0.505 119.354 119.950 -0.152 0.000 2.925 230 F HA 0.454 4.980 4.527 -0.002 0.000 0.302 230 F C 1.889 177.652 175.800 -0.062 0.000 1.189 230 F CA -0.498 57.467 58.000 -0.057 0.000 1.346 230 F CB -0.606 38.503 39.000 0.183 0.000 0.954 230 F HN -0.106 nan 8.300 nan 0.000 0.506 231 A N 0.070 122.865 122.820 -0.042 0.000 2.172 231 A HA 0.063 4.381 4.320 -0.002 0.000 0.216 231 A C 2.501 180.057 177.584 -0.046 0.000 1.154 231 A CA 1.356 53.361 52.037 -0.054 0.000 0.701 231 A CB -0.963 17.979 19.000 -0.097 0.000 0.789 231 A HN 0.511 nan 8.150 nan 0.000 0.465 232 G N -0.760 108.000 108.800 -0.068 0.000 2.432 232 G HA2 -0.152 3.806 3.960 -0.002 0.000 0.219 232 G HA3 -0.152 3.806 3.960 -0.002 0.000 0.219 232 G C 1.169 176.029 174.900 -0.067 0.000 1.135 232 G CA 1.052 46.123 45.100 -0.050 0.000 0.767 232 G HN 0.460 nan 8.290 nan 0.000 0.550 233 F N 1.585 121.642 119.950 0.178 0.000 2.325 233 F HA 0.221 4.747 4.527 -0.002 0.000 0.299 233 F C 2.862 178.805 175.800 0.239 0.000 1.090 233 F CA 0.150 58.278 58.000 0.213 0.000 1.392 233 F CB -0.534 38.609 39.000 0.239 0.000 1.053 233 F HN 0.236 nan 8.300 nan 0.000 0.521 234 A N 0.054 123.035 122.820 0.267 0.000 1.898 234 A HA -0.135 4.183 4.320 -0.002 0.000 0.216 234 A C 2.158 179.894 177.584 0.254 0.000 1.181 234 A CA 1.470 53.616 52.037 0.181 0.000 0.620 234 A CB -1.037 17.816 19.000 -0.245 0.000 0.819 234 A HN 0.323 nan 8.150 nan 0.000 0.442 235 L N -0.247 121.030 121.223 0.090 0.000 2.056 235 L HA -0.007 4.332 4.340 -0.002 0.000 0.207 235 L C 2.666 179.589 176.870 0.088 0.000 1.078 235 L CA 2.133 56.979 54.840 0.010 0.000 0.749 235 L CB -0.754 41.149 42.059 -0.260 0.000 0.901 235 L HN 0.331 nan 8.230 nan 0.000 0.433 236 A N -0.536 122.387 122.820 0.171 0.000 1.940 236 A HA -0.104 4.214 4.320 -0.002 0.000 0.219 236 A C 2.315 180.189 177.584 0.484 0.000 1.176 236 A CA 1.610 53.821 52.037 0.289 0.000 0.631 236 A CB -1.554 17.603 19.000 0.262 0.000 0.814 236 A HN 0.542 nan 8.150 nan 0.000 0.446 237 G N -0.785 108.306 108.800 0.486 0.000 2.402 237 G HA2 -0.057 3.902 3.960 -0.002 0.000 0.216 237 G HA3 -0.057 3.902 3.960 -0.002 0.000 0.216 237 G C 1.489 176.471 174.900 0.137 0.000 1.162 237 G CA 1.113 46.373 45.100 0.267 0.000 0.777 237 G HN 0.309 nan 8.290 nan 0.000 0.539 238 V N 0.788 120.788 119.914 0.144 0.000 2.343 238 V HA -0.176 3.943 4.120 -0.002 0.000 0.247 238 V C 3.032 179.161 176.094 0.058 0.000 1.051 238 V CA 2.192 64.523 62.300 0.051 0.000 1.036 238 V CB -0.277 31.567 31.823 0.035 0.000 0.654 238 V HN 0.483 nan 8.190 nan 0.000 0.451 239 S N 0.389 116.140 115.700 0.086 0.000 2.348 239 S HA -0.144 4.324 4.470 -0.002 0.000 0.221 239 S C 2.090 176.750 174.600 0.100 0.000 1.033 239 S CA 1.923 60.170 58.200 0.079 0.000 1.010 239 S CB -0.665 62.581 63.200 0.077 0.000 0.891 239 S HN 0.626 nan 8.310 nan 0.000 0.442 240 G N 1.367 110.257 108.800 0.150 0.000 2.418 240 G HA2 -0.070 3.888 3.960 -0.002 0.000 0.217 240 G HA3 -0.070 3.888 3.960 -0.002 0.000 0.217 240 G C 1.472 176.414 174.900 0.069 0.000 1.158 240 G CA 0.801 45.982 45.100 0.134 0.000 0.771 240 G HN 0.509 nan 8.290 nan 0.000 0.545 241 L N 0.755 122.012 121.223 0.057 0.000 2.046 241 L HA -0.084 4.254 4.340 -0.002 0.000 0.208 241 L C 3.196 180.154 176.870 0.147 0.000 1.077 241 L CA 1.220 56.121 54.840 0.101 0.000 0.747 241 L CB -0.396 41.685 42.059 0.037 0.000 0.896 241 L HN 0.186 nan 8.230 nan 0.000 0.432 242 S N 0.148 115.900 115.700 0.087 0.000 2.382 242 S HA -0.138 4.331 4.470 -0.002 0.000 0.228 242 S C 1.957 176.596 174.600 0.066 0.000 1.027 242 S CA 1.162 59.411 58.200 0.081 0.000 0.991 242 S CB -0.284 62.951 63.200 0.058 0.000 0.823 242 S HN 0.288 nan 8.310 nan 0.000 0.469 243 L N 0.708 121.962 121.223 0.052 0.000 2.201 243 L HA -0.077 4.262 4.340 -0.002 0.000 0.212 243 L C 2.525 179.387 176.870 -0.013 0.000 1.105 243 L CA 1.127 55.985 54.840 0.029 0.000 0.775 243 L CB -0.423 41.661 42.059 0.042 0.000 0.913 243 L HN 0.336 nan 8.230 nan 0.000 0.440 244 A N -2.248 120.547 122.820 -0.040 0.000 2.044 244 A HA 0.027 4.346 4.320 -0.002 0.000 0.213 244 A C 0.706 178.069 177.584 -0.368 0.000 1.169 244 A CA 0.337 52.255 52.037 -0.197 0.000 0.724 244 A CB -0.039 18.818 19.000 -0.239 0.000 0.840 244 A HN 0.331 nan 8.150 nan 0.000 0.463 245 H N -0.659 118.392 119.070 -0.031 0.000 2.725 245 H HA 0.224 4.778 4.556 -0.002 0.000 0.283 245 H C -2.177 173.141 175.328 -0.017 0.000 1.110 245 H CA -1.714 54.313 56.048 -0.035 0.000 1.289 245 H CB 1.170 30.906 29.762 -0.044 0.000 1.400 245 H HN 0.153 nan 8.280 nan 0.000 0.493 246 P HA -0.193 nan 4.420 nan 0.000 0.217 246 P C 1.369 178.706 177.300 0.061 0.000 1.148 246 P CA 1.267 64.393 63.100 0.044 0.000 0.828 246 P CB 0.386 32.096 31.700 0.017 0.000 0.783 247 D N -1.082 119.358 120.400 0.067 0.000 2.178 247 D HA -0.165 4.474 4.640 -0.002 0.000 0.202 247 D C 1.893 178.240 176.300 0.078 0.000 0.974 247 D CA 0.979 55.015 54.000 0.061 0.000 0.841 247 D CB -1.030 39.789 40.800 0.031 0.000 0.953 247 D HN 0.210 nan 8.370 nan 0.000 0.478 248 M N 0.209 119.854 119.600 0.074 0.000 2.156 248 M HA -0.122 4.357 4.480 -0.002 0.000 0.264 248 M C 2.170 178.544 176.300 0.124 0.000 1.067 248 M CA 1.400 56.745 55.300 0.074 0.000 1.131 248 M CB 0.100 32.716 32.600 0.027 0.000 1.368 248 M HN -0.136 nan 8.290 nan 0.000 0.416 249 E N 0.335 120.593 120.200 0.097 0.000 2.049 249 E HA -0.184 4.165 4.350 -0.002 0.000 0.198 249 E C 1.701 178.349 176.600 0.081 0.000 1.007 249 E CA 2.523 58.969 56.400 0.077 0.000 0.809 249 E CB -0.246 29.488 29.700 0.056 0.000 0.749 249 E HN 0.523 nan 8.360 nan 0.000 0.450 250 S N -0.492 115.262 115.700 0.089 0.000 2.368 250 S HA -0.110 4.359 4.470 -0.002 0.000 0.225 250 S C 1.654 176.313 174.600 0.099 0.000 1.030 250 S CA 1.018 59.265 58.200 0.078 0.000 0.999 250 S CB -0.530 62.714 63.200 0.075 0.000 0.844 250 S HN 0.407 nan 8.310 nan 0.000 0.459 251 F N 1.951 121.902 119.950 0.001 0.000 2.134 251 F HA -0.043 4.482 4.527 -0.002 0.000 0.299 251 F C 1.860 177.661 175.800 0.001 0.000 1.097 251 F CA 1.185 59.184 58.000 -0.001 0.000 1.264 251 F CB -0.243 38.753 39.000 -0.005 0.000 1.001 251 F HN 0.108 nan 8.300 nan 0.000 0.479 252 I N -0.039 120.611 120.570 0.132 0.000 2.286 252 I HA -0.217 3.952 4.170 -0.002 0.000 0.245 252 I C 2.300 178.398 176.117 -0.031 0.000 1.104 252 I CA 1.071 62.396 61.300 0.042 0.000 1.397 252 I CB -0.500 37.554 38.000 0.090 0.000 1.072 252 I HN 0.105 nan 8.210 nan 0.000 0.417 253 E N 1.051 121.244 120.200 -0.011 0.000 2.118 253 E HA -0.242 4.106 4.350 -0.002 0.000 0.195 253 E C 2.281 178.850 176.600 -0.051 0.000 0.992 253 E CA 1.547 57.933 56.400 -0.023 0.000 0.804 253 E CB -0.239 29.458 29.700 -0.006 0.000 0.741 253 E HN 0.514 nan 8.360 nan 0.000 0.458 254 A N 0.983 123.753 122.820 -0.083 0.000 2.067 254 A HA -0.113 4.206 4.320 -0.002 0.000 0.219 254 A C 1.992 179.496 177.584 -0.133 0.000 1.158 254 A CA 0.982 52.955 52.037 -0.107 0.000 0.661 254 A CB -0.172 18.748 19.000 -0.133 0.000 0.801 254 A HN 0.053 nan 8.150 nan 0.000 0.452 255 R N -1.277 119.126 120.500 -0.162 0.000 2.397 255 R HA 0.350 4.688 4.340 -0.002 0.000 0.241 255 R C -0.451 175.807 176.300 -0.070 0.000 0.914 255 R CA -0.296 55.716 56.100 -0.146 0.000 1.071 255 R CB 0.137 30.297 30.300 -0.232 0.000 1.116 255 R HN 0.355 nan 8.270 nan 0.000 0.524 256 L N 3.049 124.241 121.223 -0.052 0.000 2.410 256 L HA 0.065 4.403 4.340 -0.002 0.000 0.273 256 L C 0.193 177.050 176.870 -0.022 0.000 1.152 256 L CA -0.441 54.383 54.840 -0.026 0.000 0.855 256 L CB 0.354 42.399 42.059 -0.023 0.000 1.129 256 L HN 0.233 nan 8.230 nan 0.000 0.463 257 N N 2.635 121.329 118.700 -0.010 0.000 2.366 257 N HA 0.237 4.976 4.740 -0.002 0.000 0.277 257 N C 0.810 176.316 175.510 -0.007 0.000 1.275 257 N CA -0.009 53.037 53.050 -0.007 0.000 0.964 257 N CB 0.388 38.877 38.487 0.003 0.000 1.167 257 N HN 0.537 nan 8.380 nan 0.000 0.568 258 A N -0.515 122.303 122.820 -0.004 0.000 1.908 258 A HA -0.232 4.087 4.320 -0.002 0.000 0.218 258 A C 2.025 179.608 177.584 -0.002 0.000 1.181 258 A CA 1.772 53.807 52.037 -0.004 0.000 0.627 258 A CB -0.941 18.058 19.000 -0.002 0.000 0.818 258 A HN 0.787 nan 8.150 nan 0.000 0.445 259 K N -0.728 119.674 120.400 0.003 0.000 2.057 259 K HA -0.115 4.204 4.320 -0.002 0.000 0.207 259 K C 2.053 178.653 176.600 -0.000 0.000 1.049 259 K CA 1.397 57.688 56.287 0.008 0.000 0.931 259 K CB -0.521 31.989 32.500 0.017 0.000 0.714 259 K HN 0.403 nan 8.250 nan 0.000 0.440 260 G N 0.707 109.504 108.800 -0.005 0.000 2.422 260 G HA2 -0.256 3.702 3.960 -0.002 0.000 0.218 260 G HA3 -0.256 3.702 3.960 -0.002 0.000 0.218 260 G C 1.314 176.198 174.900 -0.027 0.000 1.146 260 G CA 0.479 45.568 45.100 -0.018 0.000 0.769 260 G HN 0.405 nan 8.290 nan 0.000 0.547 261 Q N -0.516 119.271 119.800 -0.021 0.000 2.079 261 Q HA -0.071 4.268 4.340 -0.002 0.000 0.200 261 Q C 2.763 178.746 176.000 -0.028 0.000 0.974 261 Q CA 0.961 56.750 55.803 -0.024 0.000 0.840 261 Q CB -0.094 28.633 28.738 -0.019 0.000 0.898 261 Q HN 0.366 nan 8.270 nan 0.000 0.430 262 Q N -0.353 119.434 119.800 -0.022 0.000 2.172 262 Q HA -0.056 4.283 4.340 -0.002 0.000 0.200 262 Q C 2.032 178.012 176.000 -0.032 0.000 0.964 262 Q CA 1.260 57.049 55.803 -0.023 0.000 0.855 262 Q CB -0.123 28.609 28.738 -0.010 0.000 0.918 262 Q HN 0.367 nan 8.270 nan 0.000 0.444 263 T N 1.737 116.274 114.554 -0.030 0.000 2.777 263 T HA -0.106 4.243 4.350 -0.002 0.000 0.266 263 T C 1.855 176.485 174.700 -0.116 0.000 1.040 263 T CA 0.739 62.813 62.100 -0.043 0.000 1.141 263 T CB -0.199 68.637 68.868 -0.053 0.000 0.868 263 T HN 0.079 nan 8.240 nan 0.000 0.444 264 L N 1.056 122.219 121.223 -0.099 0.000 2.093 264 L HA 0.068 4.407 4.340 -0.002 0.000 0.208 264 L C 2.182 178.998 176.870 -0.091 0.000 1.085 264 L CA 1.737 56.519 54.840 -0.097 0.000 0.755 264 L CB -0.414 41.611 42.059 -0.058 0.000 0.904 264 L HN 0.072 nan 8.230 nan 0.000 0.435 265 K N -1.032 119.323 120.400 -0.076 0.000 2.097 265 K HA -0.225 4.093 4.320 -0.002 0.000 0.206 265 K C 2.123 178.653 176.600 -0.117 0.000 1.049 265 K CA 1.618 57.862 56.287 -0.073 0.000 0.933 265 K CB -0.170 32.298 32.500 -0.053 0.000 0.717 265 K HN 0.465 nan 8.250 nan 0.000 0.442 266 Q N 0.980 120.683 119.800 -0.162 0.000 2.046 266 Q HA -0.134 4.205 4.340 -0.002 0.000 0.200 266 Q C 2.099 177.732 176.000 -0.612 0.000 0.975 266 Q CA 1.299 56.930 55.803 -0.288 0.000 0.836 266 Q CB -0.020 28.579 28.738 -0.230 0.000 0.896 266 Q HN 0.341 nan 8.270 nan 0.000 0.428 267 I N 0.191 120.431 120.570 -0.550 0.000 2.614 267 I HA -0.183 3.986 4.170 -0.002 0.000 0.258 267 I C 1.490 177.506 176.117 -0.168 0.000 1.189 267 I CA 0.825 61.790 61.300 -0.558 0.000 1.462 267 I CB 0.136 37.984 38.000 -0.253 0.000 1.092 267 I HN 0.122 nan 8.210 nan 0.000 0.442 268 R N 0.313 120.749 120.500 -0.107 0.000 2.334 268 R HA 0.190 4.529 4.340 -0.002 0.000 0.216 268 R C 0.798 177.120 176.300 0.037 0.000 0.905 268 R CA 0.069 56.176 56.100 0.011 0.000 1.064 268 R CB 0.342 30.650 30.300 0.014 0.000 1.046 268 R HN 0.288 nan 8.270 nan 0.000 0.508 269 G N 1.014 109.809 108.800 -0.008 0.000 2.503 269 G HA2 0.064 4.023 3.960 -0.002 0.000 0.257 269 G HA3 0.064 4.023 3.960 -0.002 0.000 0.257 269 G C -0.584 174.348 174.900 0.054 0.000 1.214 269 G CA -0.557 44.539 45.100 -0.006 0.000 0.839 269 G HN 0.193 nan 8.290 nan 0.000 0.559 270 R N 0.594 121.030 120.500 -0.106 0.000 2.502 270 R HA 0.310 4.649 4.340 -0.002 0.000 0.292 270 R C 1.390 177.716 176.300 0.043 0.000 0.998 270 R CA 1.352 57.373 56.100 -0.132 0.000 1.056 270 R CB -0.236 29.755 30.300 -0.516 0.000 0.939 270 R HN 1.258 nan 8.270 nan 0.000 0.411 271 G N 3.780 112.660 108.800 0.133 0.000 2.195 271 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.246 271 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.246 271 G C -0.063 174.900 174.900 0.105 0.000 0.984 271 G CA 0.027 45.191 45.100 0.107 0.000 0.633 271 G HN 0.611 nan 8.290 nan 0.000 0.525 272 F N 2.578 122.546 119.950 0.031 0.000 2.464 272 F HA 0.552 5.078 4.527 -0.002 0.000 0.353 272 F C 1.076 176.896 175.800 0.033 0.000 1.191 272 F CA -0.195 57.819 58.000 0.023 0.000 1.147 272 F CB -0.002 39.018 39.000 0.034 0.000 1.294 272 F HN 0.236 nan 8.300 nan 0.000 0.583 273 c N 4.264 122.814 118.600 -0.083 0.000 3.188 273 c HA 0.269 4.838 4.570 -0.002 0.000 0.379 273 c C 1.902 175.940 174.090 -0.088 0.000 2.263 273 c CA -0.847 55.471 56.329 -0.018 0.000 1.616 273 c CB 0.785 43.290 42.510 -0.007 0.000 2.632 273 c HN 0.909 nan 8.230 nan 0.000 0.488 274 L N 1.627 122.827 121.223 -0.039 0.000 1.997 274 L HA -0.116 4.223 4.340 -0.002 0.000 0.216 274 L C -0.857 175.959 176.870 -0.090 0.000 1.074 274 L CA 2.398 57.231 54.840 -0.011 0.000 0.763 274 L CB -1.191 40.863 42.059 -0.010 0.000 0.890 274 L HN 0.532 nan 8.230 nan 0.000 0.434 275 P HA -0.179 nan 4.420 nan 0.000 0.216 275 P C 1.219 178.365 177.300 -0.258 0.000 1.150 275 P CA 1.271 64.279 63.100 -0.152 0.000 0.837 275 P CB 0.055 31.677 31.700 -0.130 0.000 0.786 276 Q N -0.910 118.637 119.800 -0.422 0.000 2.119 276 Q HA -0.072 4.266 4.340 -0.002 0.000 0.201 276 Q C 2.149 177.743 176.000 -0.676 0.000 0.972 276 Q CA 1.059 56.402 55.803 -0.767 0.000 0.847 276 Q CB -1.396 26.465 28.738 -1.461 0.000 0.903 276 Q HN 0.069 nan 8.270 nan 0.000 0.433 277 V N -0.334 119.358 119.914 -0.370 0.000 2.343 277 V HA -0.233 3.885 4.120 -0.002 0.000 0.247 277 V C 2.064 178.030 176.094 -0.213 0.000 1.051 277 V CA 1.439 63.718 62.300 -0.036 0.000 1.036 277 V CB -0.510 31.289 31.823 -0.041 0.000 0.654 277 V HN 0.187 nan 8.190 nan 0.000 0.451 278 V N -0.351 119.399 119.914 -0.273 0.000 2.295 278 V HA -0.240 3.879 4.120 -0.002 0.000 0.246 278 V C 2.210 178.163 176.094 -0.235 0.000 1.049 278 V CA 2.068 64.242 62.300 -0.210 0.000 1.024 278 V CB -0.458 31.357 31.823 -0.013 0.000 0.648 278 V HN 0.441 nan 8.190 nan 0.000 0.447 279 L N -0.664 120.417 121.223 -0.238 0.000 2.240 279 L HA -0.063 4.276 4.340 -0.002 0.000 0.211 279 L C 2.416 179.128 176.870 -0.264 0.000 1.106 279 L CA 1.338 56.039 54.840 -0.231 0.000 0.793 279 L CB -0.554 41.384 42.059 -0.203 0.000 0.927 279 L HN 0.357 nan 8.230 nan 0.000 0.446 280 T N -1.938 112.403 114.554 -0.355 0.000 2.976 280 T HA -0.032 4.317 4.350 -0.002 0.000 0.257 280 T C 0.547 174.936 174.700 -0.519 0.000 1.051 280 T CA 0.833 62.637 62.100 -0.493 0.000 1.141 280 T CB -0.024 68.447 68.868 -0.662 0.000 0.881 280 T HN 0.155 nan 8.240 nan 0.000 0.461 281 Y N 0.744 120.993 120.300 -0.086 0.000 2.734 281 Y HA 0.358 4.907 4.550 -0.002 0.000 0.278 281 Y C -2.659 173.110 175.900 -0.218 0.000 1.108 281 Y CA -3.551 54.484 58.100 -0.109 0.000 1.211 281 Y CB -0.534 37.879 38.460 -0.079 0.000 1.182 281 Y HN 0.112 nan 8.280 nan 0.000 0.547 282 P HA 0.048 nan 4.420 nan 0.000 0.271 282 P C -0.326 176.685 177.300 -0.482 0.000 1.216 282 P CA 0.322 63.051 63.100 -0.618 0.000 0.771 282 P CB 0.207 31.396 31.700 -0.853 0.000 0.864 283 F N -1.175 118.743 119.950 -0.053 0.000 3.018 283 F HA -0.202 4.324 4.527 -0.002 0.000 0.287 283 F C 0.300 176.089 175.800 -0.017 0.000 0.813 283 F CA -0.194 57.781 58.000 -0.041 0.000 1.209 283 F CB -2.447 36.528 39.000 -0.042 0.000 1.321 283 F HN 0.190 nan 8.300 nan 0.000 0.477 284 L N 1.775 123.040 121.223 0.069 0.000 2.360 284 L HA 0.457 4.796 4.340 -0.002 0.000 0.276 284 L C 0.337 177.209 176.870 0.003 0.000 1.121 284 L CA -0.191 54.681 54.840 0.052 0.000 0.845 284 L CB 0.585 42.669 42.059 0.042 0.000 1.143 284 L HN 0.177 nan 8.230 nan 0.000 0.452 285 N N 3.889 122.603 118.700 0.024 0.000 2.420 285 N HA 0.118 4.857 4.740 -0.002 0.000 0.249 285 N C 0.772 176.265 175.510 -0.028 0.000 1.033 285 N CA -0.255 52.800 53.050 0.008 0.000 0.944 285 N CB 1.304 39.846 38.487 0.093 0.000 1.113 285 N HN 0.556 nan 8.380 nan 0.000 0.502 286 V N 3.669 123.491 119.914 -0.153 0.000 2.568 286 V HA -0.207 3.912 4.120 -0.002 0.000 0.253 286 V C 1.315 177.349 176.094 -0.100 0.000 1.072 286 V CA 1.415 63.623 62.300 -0.153 0.000 1.084 286 V CB -0.845 30.908 31.823 -0.117 0.000 0.676 286 V HN 0.572 nan 8.190 nan 0.000 0.469 287 F N 0.995 121.027 119.950 0.136 0.000 2.604 287 F HA -0.074 4.452 4.527 -0.002 0.000 0.298 287 F C 2.538 178.376 175.800 0.063 0.000 1.131 287 F CA 1.074 59.138 58.000 0.107 0.000 1.457 287 F CB -0.927 38.140 39.000 0.112 0.000 1.095 287 F HN 0.294 nan 8.300 nan 0.000 0.574 288 S N -0.516 115.296 115.700 0.185 0.000 2.561 288 S HA 0.008 4.476 4.470 -0.002 0.000 0.225 288 S C 1.530 176.175 174.600 0.076 0.000 0.977 288 S CA 0.455 58.724 58.200 0.116 0.000 0.926 288 S CB -0.649 62.603 63.200 0.087 0.000 0.769 288 S HN 0.458 nan 8.310 nan 0.000 0.533 289 L N 1.394 122.656 121.223 0.066 0.000 2.554 289 L HA 0.323 4.662 4.340 -0.002 0.000 0.225 289 L C 0.590 177.483 176.870 0.039 0.000 1.104 289 L CA -0.210 54.650 54.840 0.033 0.000 0.866 289 L CB 0.191 42.249 42.059 -0.001 0.000 1.047 289 L HN 0.353 nan 8.230 nan 0.000 0.468 290 V N -3.841 116.119 119.914 0.076 0.000 3.158 290 V HA 0.416 4.535 4.120 -0.002 0.000 0.315 290 V C 0.362 176.493 176.094 0.063 0.000 1.148 290 V CA -0.754 61.585 62.300 0.064 0.000 1.042 290 V CB 1.580 33.459 31.823 0.094 0.000 1.101 290 V HN 0.217 nan 8.190 nan 0.000 0.448 291 N N -0.580 118.136 118.700 0.027 0.000 2.268 291 N HA 0.179 4.918 4.740 -0.002 0.000 0.204 291 N C -0.469 175.052 175.510 0.019 0.000 1.124 291 N CA 0.066 53.126 53.050 0.016 0.000 0.838 291 N CB 0.064 38.544 38.487 -0.012 0.000 0.994 291 N HN 0.802 nan 8.380 nan 0.000 0.489 292 D N -0.686 119.743 120.400 0.048 0.000 2.936 292 D HA 0.266 4.905 4.640 -0.002 0.000 0.238 292 D C 0.047 176.364 176.300 0.029 0.000 1.248 292 D CA -0.258 53.763 54.000 0.034 0.000 0.903 292 D CB 2.002 42.828 40.800 0.042 0.000 1.544 292 D HN -0.039 nan 8.370 nan 0.000 0.543 293 T N 1.452 115.946 114.554 -0.101 0.000 3.043 293 T HA -0.007 4.341 4.350 -0.002 0.000 0.263 293 T C 1.302 175.708 174.700 -0.490 0.000 1.094 293 T CA 0.224 62.085 62.100 -0.399 0.000 1.127 293 T CB 0.082 68.764 68.868 -0.310 0.000 0.905 293 T HN 0.402 nan 8.240 nan 0.000 0.490 294 N N 0.934 119.524 118.700 -0.184 0.000 2.322 294 N HA 0.098 4.836 4.740 -0.002 0.000 0.216 294 N C 1.348 176.866 175.510 0.013 0.000 1.144 294 N CA -0.170 52.821 53.050 -0.098 0.000 0.830 294 N CB -0.001 38.461 38.487 -0.041 0.000 1.034 294 N HN 0.176 nan 8.380 nan 0.000 0.484 295 L N 0.532 121.806 121.223 0.084 0.000 2.013 295 L HA -0.184 4.155 4.340 -0.002 0.000 0.212 295 L C 1.796 178.753 176.870 0.145 0.000 1.073 295 L CA 1.573 56.555 54.840 0.236 0.000 0.753 295 L CB -0.257 42.024 42.059 0.369 0.000 0.890 295 L HN 0.205 nan 8.230 nan 0.000 0.432 296 L N -0.684 120.612 121.223 0.122 0.000 2.201 296 L HA -0.151 4.188 4.340 -0.002 0.000 0.212 296 L C 1.916 178.777 176.870 -0.015 0.000 1.105 296 L CA 1.670 56.525 54.840 0.025 0.000 0.775 296 L CB -0.961 41.133 42.059 0.059 0.000 0.913 296 L HN 0.392 nan 8.230 nan 0.000 0.440 297 N N -1.309 117.390 118.700 -0.000 0.000 2.461 297 N HA 0.011 4.750 4.740 -0.002 0.000 0.188 297 N C 0.036 175.522 175.510 -0.040 0.000 1.134 297 N CA 0.065 53.105 53.050 -0.017 0.000 0.878 297 N CB 0.238 38.721 38.487 -0.006 0.000 0.972 297 N HN 0.414 nan 8.380 nan 0.000 0.456 298 E N 0.403 120.566 120.200 -0.062 0.000 2.222 298 E HA 0.544 4.893 4.350 -0.002 0.000 0.272 298 E C -0.588 175.847 176.600 -0.275 0.000 0.982 298 E CA -0.894 55.442 56.400 -0.106 0.000 0.842 298 E CB 1.430 31.135 29.700 0.008 0.000 1.144 298 E HN 0.100 nan 8.360 nan 0.000 0.397 299 A N 2.636 125.301 122.820 -0.258 0.000 2.425 299 A HA 0.238 4.557 4.320 -0.002 0.000 0.249 299 A C -1.740 175.469 177.584 -0.625 0.000 1.084 299 A CA -0.980 50.871 52.037 -0.310 0.000 0.781 299 A CB -0.029 18.878 19.000 -0.156 0.000 1.019 299 A HN 0.477 nan 8.150 nan 0.000 0.490 300 P HA 0.151 nan 4.420 nan 0.000 0.261 300 P C 1.049 178.166 177.300 -0.305 0.000 1.268 300 P CA 0.139 63.052 63.100 -0.312 0.000 0.833 300 P CB 0.110 31.688 31.700 -0.203 0.000 1.231 301 I N 0.502 120.828 120.570 -0.405 0.000 2.179 301 I HA -0.240 3.929 4.170 -0.002 0.000 0.242 301 I C 2.467 178.465 176.117 -0.197 0.000 1.088 301 I CA 1.486 62.616 61.300 -0.283 0.000 1.357 301 I CB -0.835 37.008 38.000 -0.262 0.000 1.051 301 I HN -0.049 nan 8.210 nan 0.000 0.409 302 A N 1.049 123.766 122.820 -0.172 0.000 1.917 302 A HA -0.201 4.118 4.320 -0.002 0.000 0.219 302 A C 2.425 179.959 177.584 -0.083 0.000 1.182 302 A CA 2.224 54.199 52.037 -0.104 0.000 0.633 302 A CB -1.505 17.445 19.000 -0.084 0.000 0.819 302 A HN 0.489 nan 8.150 nan 0.000 0.448 303 G N -0.364 108.377 108.800 -0.099 0.000 2.402 303 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.216 303 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.216 303 G C 1.529 176.383 174.900 -0.077 0.000 1.162 303 G CA 1.017 46.076 45.100 -0.070 0.000 0.777 303 G HN 0.480 nan 8.290 nan 0.000 0.539 304 I N 0.435 120.914 120.570 -0.152 0.000 2.226 304 I HA -0.120 4.049 4.170 -0.002 0.000 0.245 304 I C 2.601 178.630 176.117 -0.147 0.000 1.100 304 I CA 0.699 61.853 61.300 -0.243 0.000 1.374 304 I CB -0.130 37.605 38.000 -0.443 0.000 1.057 304 I HN 0.113 nan 8.210 nan 0.000 0.413 305 L N 0.287 121.448 121.223 -0.103 0.000 2.201 305 L HA -0.177 4.161 4.340 -0.002 0.000 0.212 305 L C 2.296 179.197 176.870 0.051 0.000 1.105 305 L CA 1.222 56.043 54.840 -0.031 0.000 0.775 305 L CB -0.474 41.558 42.059 -0.045 0.000 0.913 305 L HN 0.198 nan 8.230 nan 0.000 0.440 306 K N -0.381 120.052 120.400 0.055 0.000 2.366 306 K HA -0.099 4.219 4.320 -0.002 0.000 0.198 306 K C 1.922 178.673 176.600 0.251 0.000 1.044 306 K CA 0.714 57.071 56.287 0.117 0.000 0.973 306 K CB 0.107 32.654 32.500 0.079 0.000 0.767 306 K HN 0.441 nan 8.250 nan 0.000 0.475 307 Q N 0.257 120.193 119.800 0.226 0.000 2.297 307 Q HA 0.008 4.346 4.340 -0.002 0.000 0.203 307 Q C 0.336 176.623 176.000 0.479 0.000 0.931 307 Q CA 0.502 56.507 55.803 0.337 0.000 0.885 307 Q CB 0.571 29.407 28.738 0.163 0.000 0.991 307 Q HN 0.114 nan 8.270 nan 0.000 0.498 308 E N 1.364 121.747 120.200 0.305 0.000 2.368 308 E HA 0.117 4.466 4.350 -0.002 0.000 0.283 308 E C -0.571 176.270 176.600 0.400 0.000 1.476 308 E CA 0.175 56.742 56.400 0.279 0.000 1.786 308 E CB 0.505 30.252 29.700 0.078 0.000 1.518 308 E HN -0.003 nan 8.360 nan 0.000 0.456 309 T N -1.420 113.452 114.554 0.530 0.000 2.932 309 T HA 0.247 4.596 4.350 -0.002 0.000 0.318 309 T C 0.365 175.138 174.700 0.120 0.000 1.265 309 T CA -0.596 61.687 62.100 0.305 0.000 1.036 309 T CB 1.426 70.386 68.868 0.154 0.000 1.209 309 T HN -0.030 nan 8.240 nan 0.000 0.484 310 V N 1.491 121.305 119.914 -0.167 0.000 3.483 310 V HA 0.498 4.616 4.120 -0.002 0.000 0.301 310 V C 0.335 176.379 176.094 -0.083 0.000 1.389 310 V CA -0.163 61.949 62.300 -0.313 0.000 1.101 310 V CB 0.247 31.667 31.823 -0.672 0.000 0.971 310 V HN 0.557 nan 8.190 nan 0.000 0.434 311 V N 2.062 121.942 119.914 -0.057 0.000 2.405 311 V HA 0.180 4.299 4.120 -0.002 0.000 0.264 311 V C 1.577 177.615 176.094 -0.094 0.000 1.048 311 V CA 0.291 62.575 62.300 -0.027 0.000 0.966 311 V CB 0.833 32.638 31.823 -0.030 0.000 1.015 311 V HN 0.537 nan 8.190 nan 0.000 0.477 312 Q N 5.718 125.441 119.800 -0.129 0.000 2.135 312 Q HA -0.171 4.168 4.340 -0.002 0.000 0.204 312 Q C 2.124 178.046 176.000 -0.129 0.000 0.981 312 Q CA 2.213 57.910 55.803 -0.177 0.000 0.856 312 Q CB -0.260 28.370 28.738 -0.181 0.000 0.902 312 Q HN 0.895 nan 8.270 nan 0.000 0.425 313 A N -0.071 122.692 122.820 -0.096 0.000 2.070 313 A HA -0.192 4.127 4.320 -0.002 0.000 0.220 313 A C 1.644 179.199 177.584 -0.049 0.000 1.159 313 A CA 1.730 53.725 52.037 -0.069 0.000 0.656 313 A CB -0.327 18.637 19.000 -0.060 0.000 0.800 313 A HN 0.561 nan 8.150 nan 0.000 0.453 314 E N -0.666 119.506 120.200 -0.045 0.000 2.389 314 E HA 0.339 4.688 4.350 -0.002 0.000 0.199 314 E C 0.755 177.351 176.600 -0.006 0.000 0.978 314 E CA 0.159 56.550 56.400 -0.015 0.000 0.912 314 E CB 0.157 29.860 29.700 0.004 0.000 0.907 314 E HN 0.531 nan 8.360 nan 0.000 0.494 315 A N 1.471 124.259 122.820 -0.054 0.000 2.425 315 A HA 0.164 4.483 4.320 -0.002 0.000 0.249 315 A C 0.945 178.520 177.584 -0.015 0.000 1.084 315 A CA -0.095 51.906 52.037 -0.060 0.000 0.781 315 A CB 0.344 19.115 19.000 -0.382 0.000 1.019 315 A HN 0.169 nan 8.150 nan 0.000 0.490 316 S N 0.512 116.298 115.700 0.143 0.000 2.614 316 S HA 0.386 4.855 4.470 -0.002 0.000 0.230 316 S C -0.078 174.656 174.600 0.223 0.000 0.952 316 S CA 0.137 58.423 58.200 0.144 0.000 0.949 316 S CB -0.944 62.340 63.200 0.140 0.000 0.786 316 S HN 1.018 nan 8.310 nan 0.000 0.478 317 Y N -2.105 118.221 120.300 0.043 0.000 2.655 317 Y HA 0.711 5.259 4.550 -0.002 0.000 0.336 317 Y C -0.796 175.121 175.900 0.028 0.000 1.154 317 Y CA -1.383 56.745 58.100 0.046 0.000 1.055 317 Y CB 0.475 38.987 38.460 0.086 0.000 1.295 317 Y HN -0.174 nan 8.280 nan 0.000 0.465 318 T N 2.933 117.497 114.554 0.017 0.000 2.727 318 T HA 0.359 4.708 4.350 -0.002 0.000 0.295 318 T C -0.240 174.387 174.700 -0.121 0.000 0.915 318 T CA -0.434 61.610 62.100 -0.093 0.000 1.066 318 T CB 0.097 68.966 68.868 0.001 0.000 0.891 318 T HN 0.530 nan 8.240 nan 0.000 0.516 319 V N 3.974 123.683 119.914 -0.342 0.000 2.614 319 V HA 0.170 4.289 4.120 -0.002 0.000 0.291 319 V C 1.004 177.042 176.094 -0.094 0.000 1.049 319 V CA -0.481 61.667 62.300 -0.254 0.000 1.038 319 V CB 1.406 33.023 31.823 -0.344 0.000 0.980 319 V HN 0.931 nan 8.190 nan 0.000 0.481 320 S N 3.770 119.461 115.700 -0.016 0.000 2.568 320 S HA 0.250 4.718 4.470 -0.002 0.000 0.282 320 S C -0.267 174.281 174.600 -0.086 0.000 1.338 320 S CA -0.445 57.741 58.200 -0.024 0.000 1.045 320 S CB 0.670 63.881 63.200 0.018 0.000 0.873 320 S HN 0.541 nan 8.310 nan 0.000 0.516 321 V N 7.595 127.447 119.914 -0.104 0.000 2.276 321 V HA 0.326 4.444 4.120 -0.002 0.000 0.268 321 V C -2.313 173.672 176.094 -0.183 0.000 1.032 321 V CA -1.733 60.469 62.300 -0.164 0.000 0.810 321 V CB 0.607 32.327 31.823 -0.171 0.000 1.060 321 V HN 0.738 nan 8.190 nan 0.000 0.446 322 P HA 0.113 nan 4.420 nan 0.000 0.262 322 P C 0.537 177.527 177.300 -0.517 0.000 1.182 322 P CA 0.110 62.943 63.100 -0.444 0.000 0.761 322 P CB 0.786 32.074 31.700 -0.687 0.000 0.795 323 K N 2.416 122.566 120.400 -0.416 0.000 2.354 323 K HA 0.125 4.444 4.320 -0.002 0.000 0.194 323 K C 0.832 177.342 176.600 -0.148 0.000 1.045 323 K CA 0.248 56.405 56.287 -0.217 0.000 1.026 323 K CB -0.312 32.145 32.500 -0.071 0.000 0.866 323 K HN 0.501 nan 8.250 nan 0.000 0.530 324 F N 2.207 122.181 119.950 0.040 0.000 2.490 324 F HA 0.306 4.832 4.527 -0.002 0.000 0.336 324 F C -2.215 173.642 175.800 0.095 0.000 1.178 324 F CA -3.238 54.794 58.000 0.053 0.000 1.301 324 F CB -1.117 37.910 39.000 0.046 0.000 1.175 324 F HN -0.230 nan 8.300 nan 0.000 0.593 325 P HA 0.188 nan 4.420 nan 0.000 0.264 325 P C -0.975 176.700 177.300 0.625 0.000 1.193 325 P CA 0.189 63.535 63.100 0.410 0.000 0.763 325 P CB 0.457 32.337 31.700 0.299 0.000 0.810 326 R N 2.128 122.904 120.500 0.461 0.000 2.744 326 R HA 0.629 4.968 4.340 -0.002 0.000 0.279 326 R C -1.220 174.972 176.300 -0.180 0.000 0.977 326 R CA -0.697 55.555 56.100 0.254 0.000 0.906 326 R CB 1.581 31.947 30.300 0.110 0.000 1.197 326 R HN 0.354 nan 8.270 nan 0.000 0.463 327 F N 3.742 123.312 119.950 -0.634 0.000 2.449 327 F HA 0.586 5.112 4.527 -0.002 0.000 0.342 327 F C -1.162 174.524 175.800 -0.190 0.000 1.127 327 F CA -0.790 56.810 58.000 -0.665 0.000 0.975 327 F CB 0.845 39.168 39.000 -1.128 0.000 1.146 327 F HN 0.313 nan 8.300 nan 0.000 0.444 328 I N 6.559 126.757 120.570 -0.621 0.000 2.466 328 I HA 0.349 4.518 4.170 -0.002 0.000 0.289 328 I C -1.461 174.487 176.117 -0.282 0.000 1.026 328 I CA -0.699 60.358 61.300 -0.405 0.000 1.078 328 I CB 1.359 39.226 38.000 -0.221 0.000 1.249 328 I HN 0.758 nan 8.210 nan 0.000 0.429 329 W N 5.874 126.954 121.300 -0.366 0.000 2.882 329 W HA 0.817 5.476 4.660 -0.002 0.000 0.345 329 W C -1.436 175.179 176.519 0.158 0.000 1.125 329 W CA -0.871 56.371 57.345 -0.172 0.000 1.167 329 W CB 0.830 30.239 29.460 -0.086 0.000 1.431 329 W HN 0.462 nan 8.180 nan 0.000 0.543 330 H N 1.156 120.365 119.070 0.231 0.000 3.112 330 H HA 0.505 5.060 4.556 -0.002 0.000 0.347 330 H C -0.973 174.554 175.328 0.331 0.000 1.188 330 H CA -0.435 55.747 56.048 0.223 0.000 1.240 330 H CB 1.966 31.912 29.762 0.308 0.000 1.920 330 H HN 0.863 nan 8.280 nan 0.000 0.535 331 A N 4.605 127.679 122.820 0.425 0.000 2.404 331 A HA 0.228 4.547 4.320 -0.002 0.000 0.273 331 A C 1.155 178.874 177.584 0.225 0.000 1.144 331 A CA -0.283 51.957 52.037 0.339 0.000 0.806 331 A CB -0.358 18.787 19.000 0.242 0.000 1.080 331 A HN 0.788 nan 8.150 nan 0.000 0.509 332 I N 3.111 123.608 120.570 -0.122 0.000 2.163 332 I HA -0.139 4.029 4.170 -0.002 0.000 0.243 332 I C -0.708 175.344 176.117 -0.108 0.000 1.085 332 I CA 1.279 62.258 61.300 -0.536 0.000 1.347 332 I CB -0.785 36.855 38.000 -0.600 0.000 1.044 332 I HN 0.463 nan 8.210 nan 0.000 0.408 333 P HA 0.044 nan 4.420 nan 0.000 0.253 333 P C -0.268 177.131 177.300 0.164 0.000 1.508 333 P CA 0.067 63.226 63.100 0.099 0.000 0.883 333 P CB -0.482 31.271 31.700 0.089 0.000 1.519 334 D N 2.074 122.597 120.400 0.205 0.000 2.487 334 D HA -0.080 4.559 4.640 -0.002 0.000 0.243 334 D C 1.105 177.571 176.300 0.277 0.000 1.154 334 D CA 0.467 54.606 54.000 0.230 0.000 0.876 334 D CB 0.912 41.888 40.800 0.294 0.000 1.161 334 D HN 0.233 nan 8.370 nan 0.000 0.478 335 E N 4.343 124.688 120.200 0.242 0.000 2.481 335 E HA 0.031 4.379 4.350 -0.002 0.000 0.198 335 E C 1.020 177.807 176.600 0.312 0.000 1.027 335 E CA 0.180 56.767 56.400 0.311 0.000 0.900 335 E CB 0.155 29.974 29.700 0.198 0.000 0.993 335 E HN 0.571 nan 8.360 nan 0.000 0.482 336 I N -0.124 120.510 120.570 0.107 0.000 3.739 336 I HA 0.108 4.277 4.170 -0.002 0.000 0.272 336 I C 0.200 176.264 176.117 -0.089 0.000 1.167 336 I CA 0.090 61.282 61.300 -0.181 0.000 1.386 336 I CB 1.113 38.510 38.000 -1.006 0.000 1.490 336 I HN -0.195 nan 8.210 nan 0.000 0.452 337 V N 4.415 124.172 119.914 -0.261 0.000 2.357 337 V HA 0.324 4.442 4.120 -0.002 0.000 0.284 337 V C -2.378 173.556 176.094 -0.266 0.000 1.018 337 V CA -1.755 60.408 62.300 -0.229 0.000 0.841 337 V CB 1.161 32.880 31.823 -0.174 0.000 0.991 337 V HN 0.023 nan 8.190 nan 0.000 0.437 338 P HA -0.027 nan 4.420 nan 0.000 0.267 338 P C 0.010 177.096 177.300 -0.357 0.000 1.205 338 P CA 0.206 62.782 63.100 -0.874 0.000 0.765 338 P CB 0.812 31.939 31.700 -0.954 0.000 0.828 339 Y N 4.106 124.182 120.300 -0.373 0.000 2.163 339 Y HA -0.213 4.336 4.550 -0.002 0.000 0.288 339 Y C 2.283 177.964 175.900 -0.365 0.000 1.136 339 Y CA 1.775 59.564 58.100 -0.519 0.000 1.147 339 Y CB -0.415 37.913 38.460 -0.219 0.000 0.987 339 Y HN 0.225 nan 8.280 nan 0.000 0.509 340 Q N 0.121 119.727 119.800 -0.324 0.000 2.084 340 Q HA -0.124 4.215 4.340 -0.002 0.000 0.202 340 Q C -0.270 175.529 176.000 -0.334 0.000 0.978 340 Q CA 1.990 57.594 55.803 -0.332 0.000 0.844 340 Q CB -1.874 26.814 28.738 -0.084 0.000 0.898 340 Q HN 0.440 nan 8.270 nan 0.000 0.426 341 P HA -0.116 nan 4.420 nan 0.000 0.216 341 P C 0.981 178.138 177.300 -0.239 0.000 1.150 341 P CA 1.968 64.946 63.100 -0.203 0.000 0.837 341 P CB -0.151 31.455 31.700 -0.156 0.000 0.786 342 A N -0.170 122.438 122.820 -0.354 0.000 1.930 342 A HA -0.022 4.296 4.320 -0.002 0.000 0.217 342 A C 2.301 179.662 177.584 -0.371 0.000 1.175 342 A CA 1.807 53.655 52.037 -0.315 0.000 0.627 342 A CB -1.507 17.274 19.000 -0.366 0.000 0.815 342 A HN 0.186 nan 8.150 nan 0.000 0.443 343 A N -0.834 121.620 122.820 -0.609 0.000 1.898 343 A HA -0.066 4.253 4.320 -0.002 0.000 0.216 343 A C 2.287 179.641 177.584 -0.383 0.000 1.181 343 A CA 2.223 53.922 52.037 -0.564 0.000 0.620 343 A CB -1.210 17.381 19.000 -0.681 0.000 0.819 343 A HN 0.414 nan 8.150 nan 0.000 0.442 344 T N -1.444 112.938 114.554 -0.286 0.000 2.746 344 T HA -0.176 4.172 4.350 -0.002 0.000 0.267 344 T C 1.778 176.365 174.700 -0.189 0.000 1.039 344 T CA 1.657 63.638 62.100 -0.198 0.000 1.142 344 T CB -0.458 68.324 68.868 -0.143 0.000 0.866 344 T HN 0.577 nan 8.240 nan 0.000 0.444 345 Y N 2.052 122.182 120.300 -0.284 0.000 2.097 345 Y HA -0.202 4.347 4.550 -0.002 0.000 0.282 345 Y C 2.315 178.031 175.900 -0.306 0.000 1.152 345 Y CA 0.979 58.916 58.100 -0.271 0.000 1.136 345 Y CB -0.760 37.548 38.460 -0.253 0.000 0.975 345 Y HN -0.032 nan 8.280 nan 0.000 0.498 346 V N 1.193 120.858 119.914 -0.414 0.000 2.287 346 V HA -0.359 3.760 4.120 -0.002 0.000 0.248 346 V C 2.510 178.306 176.094 -0.496 0.000 1.053 346 V CA 2.407 64.358 62.300 -0.582 0.000 1.027 346 V CB -0.790 30.472 31.823 -0.935 0.000 0.646 346 V HN 0.397 nan 8.190 nan 0.000 0.447 347 K N -0.069 120.088 120.400 -0.405 0.000 2.020 347 K HA -0.268 4.051 4.320 -0.002 0.000 0.212 347 K C 2.164 178.603 176.600 -0.268 0.000 1.050 347 K CA 2.236 58.353 56.287 -0.283 0.000 0.929 347 K CB -0.178 32.194 32.500 -0.214 0.000 0.714 347 K HN 0.594 nan 8.250 nan 0.000 0.443 348 E N -0.090 119.931 120.200 -0.299 0.000 2.077 348 E HA -0.194 4.155 4.350 -0.002 0.000 0.193 348 E C 2.325 178.729 176.600 -0.327 0.000 0.989 348 E CA 1.021 57.252 56.400 -0.282 0.000 0.800 348 E CB 0.067 29.601 29.700 -0.277 0.000 0.746 348 E HN 0.340 nan 8.360 nan 0.000 0.452 349 Q N 0.049 119.566 119.800 -0.472 0.000 2.079 349 Q HA -0.142 4.197 4.340 -0.002 0.000 0.200 349 Q C 2.467 178.280 176.000 -0.310 0.000 0.974 349 Q CA 1.028 56.553 55.803 -0.463 0.000 0.840 349 Q CB -0.538 27.795 28.738 -0.675 0.000 0.898 349 Q HN 0.384 nan 8.270 nan 0.000 0.430 350 c N 0.586 119.014 118.600 -0.287 0.000 2.425 350 c HA -0.086 4.483 4.570 -0.002 0.000 0.277 350 c C 2.838 176.835 174.090 -0.155 0.000 1.280 350 c CA 0.700 56.910 56.329 -0.198 0.000 1.744 350 c CB -1.163 41.238 42.510 -0.182 0.000 1.989 350 c HN 0.583 nan 8.230 nan 0.000 0.491 351 A N 0.008 122.730 122.820 -0.162 0.000 2.019 351 A HA -0.157 4.161 4.320 -0.002 0.000 0.219 351 A C 1.986 179.499 177.584 -0.118 0.000 1.164 351 A CA 1.380 53.341 52.037 -0.126 0.000 0.644 351 A CB -0.332 18.593 19.000 -0.126 0.000 0.805 351 A HN 0.722 nan 8.150 nan 0.000 0.449 352 K N -1.533 118.782 120.400 -0.143 0.000 2.397 352 K HA 0.291 4.609 4.320 -0.002 0.000 0.202 352 K C 0.669 177.198 176.600 -0.117 0.000 1.022 352 K CA 0.430 56.642 56.287 -0.126 0.000 1.141 352 K CB 0.243 32.657 32.500 -0.143 0.000 0.857 352 K HN 0.597 nan 8.250 nan 0.000 0.514 353 G N 1.095 109.824 108.800 -0.117 0.000 2.138 353 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.193 353 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.193 353 G C 0.165 174.999 174.900 -0.109 0.000 0.998 353 G CA -0.108 44.934 45.100 -0.096 0.000 0.668 353 G HN 0.400 nan 8.290 nan 0.000 0.516 354 A N -0.232 122.499 122.820 -0.148 0.000 2.346 354 A HA 0.631 4.950 4.320 -0.002 0.000 0.252 354 A C 0.556 178.074 177.584 -0.110 0.000 1.089 354 A CA 0.444 52.382 52.037 -0.165 0.000 0.797 354 A CB 0.437 19.299 19.000 -0.230 0.000 1.047 354 A HN 0.876 nan 8.150 nan 0.000 0.494 355 N N 0.562 119.210 118.700 -0.087 0.000 2.800 355 N HA 0.423 5.162 4.740 -0.002 0.000 0.240 355 N C -1.479 174.043 175.510 0.020 0.000 1.096 355 N CA -0.164 52.881 53.050 -0.009 0.000 0.877 355 N CB -0.125 38.385 38.487 0.039 0.000 1.138 355 N HN 0.467 nan 8.380 nan 0.000 0.509 356 I N 1.658 122.224 120.570 -0.007 0.000 2.389 356 I HA 0.258 4.426 4.170 -0.002 0.000 0.288 356 I C 0.104 176.255 176.117 0.056 0.000 0.999 356 I CA -0.907 60.387 61.300 -0.011 0.000 1.129 356 I CB 1.393 39.326 38.000 -0.111 0.000 1.288 356 I HN 0.305 nan 8.210 nan 0.000 0.444 357 N N 6.486 125.239 118.700 0.089 0.000 2.415 357 N HA 0.138 4.877 4.740 -0.002 0.000 0.246 357 N C -1.369 174.212 175.510 0.118 0.000 1.078 357 N CA -0.067 53.084 53.050 0.168 0.000 0.942 357 N CB 0.544 39.200 38.487 0.282 0.000 1.140 357 N HN 0.306 nan 8.380 nan 0.000 0.501 358 F N 2.826 122.737 119.950 -0.064 0.000 2.404 358 F HA 0.303 4.828 4.527 -0.002 0.000 0.354 358 F C 0.218 175.949 175.800 -0.115 0.000 1.122 358 F CA -1.187 56.733 58.000 -0.134 0.000 1.080 358 F CB 1.150 40.101 39.000 -0.083 0.000 1.131 358 F HN 0.249 nan 8.300 nan 0.000 0.471 359 S N 8.378 123.751 115.700 -0.544 0.000 2.269 359 S HA 0.465 4.934 4.470 -0.002 0.000 0.194 359 S C -2.955 171.172 174.600 -0.788 0.000 1.547 359 S CA -1.506 56.343 58.200 -0.584 0.000 1.186 359 S CB -0.056 62.955 63.200 -0.315 0.000 1.069 359 S HN 0.393 nan 8.310 nan 0.000 0.473 360 P HA 0.289 nan 4.420 nan 0.000 0.293 360 P C -1.343 175.691 177.300 -0.445 0.000 1.300 360 P CA -0.433 62.323 63.100 -0.574 0.000 0.792 360 P CB 0.237 31.623 31.700 -0.523 0.000 0.925 361 Y N 5.451 125.719 120.300 -0.053 0.000 2.383 361 Y HA 0.211 4.760 4.550 -0.002 0.000 0.344 361 Y C -0.883 174.986 175.900 -0.052 0.000 0.986 361 Y CA -2.021 56.075 58.100 -0.007 0.000 1.175 361 Y CB 0.729 39.278 38.460 0.149 0.000 1.152 361 Y HN 0.373 nan 8.280 nan 0.000 0.511 362 P HA -0.082 nan 4.420 nan 0.000 0.219 362 P C 0.020 177.352 177.300 0.053 0.000 1.150 362 P CA 1.438 64.540 63.100 0.003 0.000 0.814 362 P CB 0.835 32.529 31.700 -0.011 0.000 0.787 363 I N -0.410 120.223 120.570 0.105 0.000 2.502 363 I HA 0.598 4.767 4.170 -0.002 0.000 0.276 363 I C -0.170 176.070 176.117 0.206 0.000 1.057 363 I CA -0.645 60.723 61.300 0.114 0.000 1.163 363 I CB 1.215 39.258 38.000 0.071 0.000 1.288 363 I HN -0.081 nan 8.210 nan 0.000 0.479 364 A N 4.712 127.659 122.820 0.211 0.000 2.566 364 A HA 0.805 5.124 4.320 -0.002 0.000 0.290 364 A C -1.397 176.269 177.584 0.137 0.000 1.071 364 A CA -0.665 51.520 52.037 0.247 0.000 0.658 364 A CB 1.732 20.935 19.000 0.338 0.000 1.285 364 A HN 0.522 nan 8.150 nan 0.000 0.427 365 E N -1.409 118.829 120.200 0.062 0.000 2.404 365 E HA 0.414 4.763 4.350 -0.002 0.000 0.264 365 E C 0.266 176.888 176.600 0.036 0.000 0.946 365 E CA -0.760 55.677 56.400 0.063 0.000 0.806 365 E CB 1.306 31.031 29.700 0.043 0.000 1.334 365 E HN 0.810 nan 8.360 nan 0.000 0.429 366 H N 0.252 119.287 119.070 -0.058 0.000 2.319 366 H HA -0.105 4.450 4.556 -0.002 0.000 0.299 366 H C 1.516 176.796 175.328 -0.080 0.000 1.092 366 H CA 1.870 57.862 56.048 -0.093 0.000 1.302 366 H CB 0.201 29.798 29.762 -0.275 0.000 1.373 366 H HN 0.217 nan 8.280 nan 0.000 0.497 367 L N 0.130 121.273 121.223 -0.134 0.000 2.270 367 L HA -0.038 4.300 4.340 -0.002 0.000 0.210 367 L C 2.460 179.219 176.870 -0.185 0.000 1.104 367 L CA 1.775 56.501 54.840 -0.191 0.000 0.804 367 L CB -1.391 40.514 42.059 -0.257 0.000 0.937 367 L HN 0.574 nan 8.230 nan 0.000 0.450 368 T N -3.344 111.031 114.554 -0.297 0.000 2.978 368 T HA 0.042 4.391 4.350 -0.002 0.000 0.262 368 T C 1.938 175.976 174.700 -1.104 0.000 1.063 368 T CA 0.758 62.467 62.100 -0.651 0.000 1.140 368 T CB -0.148 68.348 68.868 -0.620 0.000 0.886 368 T HN 0.152 nan 8.240 nan 0.000 0.470 369 A N 1.626 124.107 122.820 -0.564 0.000 2.015 369 A HA 0.001 4.320 4.320 -0.002 0.000 0.219 369 A C 2.260 179.803 177.584 -0.068 0.000 1.163 369 A CA 1.533 53.428 52.037 -0.237 0.000 0.646 369 A CB -0.767 18.332 19.000 0.165 0.000 0.806 369 A HN 0.671 nan 8.150 nan 0.000 0.448 370 E N -0.247 119.708 120.200 -0.408 0.000 2.118 370 E HA -0.182 4.167 4.350 -0.002 0.000 0.195 370 E C 1.594 178.021 176.600 -0.288 0.000 0.992 370 E CA 1.423 57.392 56.400 -0.718 0.000 0.804 370 E CB -0.064 29.167 29.700 -0.781 0.000 0.741 370 E HN 0.536 nan 8.360 nan 0.000 0.458 371 I N 0.116 120.506 120.570 -0.300 0.000 2.494 371 I HA -0.125 4.044 4.170 -0.002 0.000 0.250 371 I C 1.897 177.924 176.117 -0.150 0.000 1.112 371 I CA 0.653 61.805 61.300 -0.247 0.000 1.438 371 I CB -1.180 36.675 38.000 -0.242 0.000 1.111 371 I HN 0.123 nan 8.210 nan 0.000 0.431 372 F N 1.804 121.597 119.950 -0.261 0.000 2.120 372 F HA -0.109 4.416 4.527 -0.002 0.000 0.300 372 F C 2.559 178.165 175.800 -0.323 0.000 1.095 372 F CA 1.240 59.017 58.000 -0.372 0.000 1.249 372 F CB -1.695 36.822 39.000 -0.806 0.000 0.995 372 F HN 0.105 nan 8.300 nan 0.000 0.480 373 G N -1.095 107.548 108.800 -0.262 0.000 3.042 373 G HA2 0.061 4.020 3.960 -0.002 0.000 0.212 373 G HA3 0.061 4.020 3.960 -0.002 0.000 0.212 373 G C 1.692 176.093 174.900 -0.832 0.000 1.166 373 G CA 0.026 44.664 45.100 -0.769 0.000 0.767 373 G HN 0.349 nan 8.290 nan 0.000 0.546 374 L N 0.235 121.198 121.223 -0.434 0.000 1.961 374 L HA -0.070 4.269 4.340 -0.002 0.000 0.210 374 L C 2.844 179.546 176.870 -0.280 0.000 1.072 374 L CA 1.299 55.969 54.840 -0.284 0.000 0.749 374 L CB -0.256 41.704 42.059 -0.166 0.000 0.889 374 L HN 0.084 nan 8.230 nan 0.000 0.432 375 V N 0.373 120.141 119.914 -0.242 0.000 2.287 375 V HA -0.194 3.924 4.120 -0.002 0.000 0.248 375 V C -0.215 175.751 176.094 -0.214 0.000 1.053 375 V CA 2.271 64.429 62.300 -0.236 0.000 1.027 375 V CB -1.837 29.875 31.823 -0.185 0.000 0.646 375 V HN 0.399 nan 8.190 nan 0.000 0.447 376 P HA -0.162 nan 4.420 nan 0.000 0.216 376 P C 2.107 179.145 177.300 -0.438 0.000 1.150 376 P CA 2.057 64.987 63.100 -0.284 0.000 0.837 376 P CB -0.113 31.402 31.700 -0.307 0.000 0.786 377 S N -0.946 114.505 115.700 -0.415 0.000 2.359 377 S HA -0.143 4.326 4.470 -0.002 0.000 0.224 377 S C 1.813 176.404 174.600 -0.015 0.000 1.035 377 S CA 1.225 59.326 58.200 -0.165 0.000 1.018 377 S CB -1.017 62.128 63.200 -0.092 0.000 0.876 377 S HN -0.020 nan 8.310 nan 0.000 0.448 378 L N 0.086 121.192 121.223 -0.195 0.000 2.072 378 L HA -0.041 4.298 4.340 -0.002 0.000 0.205 378 L C 2.498 179.199 176.870 -0.282 0.000 1.079 378 L CA 1.329 55.875 54.840 -0.489 0.000 0.752 378 L CB -0.729 40.584 42.059 -1.244 0.000 0.906 378 L HN 0.584 nan 8.230 nan 0.000 0.436 379 W N 0.965 122.086 121.300 -0.298 0.000 2.338 379 W HA -0.323 4.336 4.660 -0.002 0.000 0.304 379 W C 2.433 178.959 176.519 0.012 0.000 1.212 379 W CA 1.529 58.821 57.345 -0.088 0.000 1.264 379 W CB -0.354 29.035 29.460 -0.119 0.000 1.142 379 W HN 0.135 nan 8.180 nan 0.000 0.512 380 F N 1.311 121.132 119.950 -0.215 0.000 2.126 380 F HA -0.223 4.303 4.527 -0.002 0.000 0.299 380 F C 2.242 177.951 175.800 -0.150 0.000 1.096 380 F CA 2.348 60.196 58.000 -0.253 0.000 1.255 380 F CB -0.764 38.078 39.000 -0.263 0.000 0.997 380 F HN -0.254 nan 8.300 nan 0.000 0.479 381 I N 0.304 120.937 120.570 0.104 0.000 2.226 381 I HA -0.310 3.859 4.170 -0.002 0.000 0.245 381 I C 2.553 178.680 176.117 0.018 0.000 1.100 381 I CA 1.546 62.896 61.300 0.084 0.000 1.374 381 I CB -0.548 37.694 38.000 0.403 0.000 1.057 381 I HN 0.088 nan 8.210 nan 0.000 0.413 382 K N 0.752 121.299 120.400 0.244 0.000 2.063 382 K HA -0.259 4.060 4.320 -0.002 0.000 0.208 382 K C 2.134 178.670 176.600 -0.107 0.000 1.048 382 K CA 1.675 58.119 56.287 0.262 0.000 0.928 382 K CB -0.069 32.612 32.500 0.303 0.000 0.713 382 K HN 0.375 nan 8.250 nan 0.000 0.442 383 Q N -0.431 119.100 119.800 -0.450 0.000 2.124 383 Q HA -0.131 4.207 4.340 -0.002 0.000 0.202 383 Q C 2.076 177.836 176.000 -0.400 0.000 0.977 383 Q CA 1.395 56.891 55.803 -0.512 0.000 0.850 383 Q CB -0.096 28.222 28.738 -0.700 0.000 0.901 383 Q HN 0.430 nan 8.270 nan 0.000 0.429 384 A N 0.202 122.721 122.820 -0.501 0.000 1.930 384 A HA -0.154 4.165 4.320 -0.002 0.000 0.217 384 A C 1.675 179.109 177.584 -0.251 0.000 1.175 384 A CA 1.036 52.813 52.037 -0.434 0.000 0.627 384 A CB -0.574 18.118 19.000 -0.512 0.000 0.815 384 A HN 0.279 nan 8.150 nan 0.000 0.443 385 F N 0.673 120.529 119.950 -0.157 0.000 2.234 385 F HA -0.078 4.448 4.527 -0.002 0.000 0.299 385 F C 1.544 177.292 175.800 -0.088 0.000 1.087 385 F CA 1.375 59.300 58.000 -0.124 0.000 1.340 385 F CB -0.263 38.640 39.000 -0.162 0.000 1.031 385 F HN 0.228 nan 8.300 nan 0.000 0.500 386 D N -0.996 119.452 120.400 0.079 0.000 2.349 386 D HA 0.140 4.779 4.640 -0.002 0.000 0.215 386 D C 1.888 178.177 176.300 -0.018 0.000 1.016 386 D CA 0.994 55.006 54.000 0.020 0.000 0.870 386 D CB -0.188 40.600 40.800 -0.021 0.000 0.917 386 D HN 0.269 nan 8.370 nan 0.000 0.524 387 G N 1.223 109.993 108.800 -0.050 0.000 2.182 387 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.248 387 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.248 387 G C 0.744 175.605 174.900 -0.065 0.000 1.042 387 G CA 0.855 45.924 45.100 -0.052 0.000 0.775 387 G HN 0.388 nan 8.290 nan 0.000 0.501 388 T N -2.108 112.377 114.554 -0.114 0.000 3.252 388 T HA 0.465 4.814 4.350 -0.002 0.000 0.286 388 T C 0.894 175.513 174.700 -0.135 0.000 1.013 388 T CA 0.756 62.796 62.100 -0.099 0.000 0.914 388 T CB 0.238 69.054 68.868 -0.087 0.000 1.131 388 T HN 1.260 nan 8.240 nan 0.000 0.529 389 T N 2.431 116.871 114.554 -0.190 0.000 2.928 389 T HA 0.333 4.682 4.350 -0.002 0.000 0.305 389 T C -2.153 172.539 174.700 -0.013 0.000 1.035 389 T CA -1.098 60.884 62.100 -0.197 0.000 1.145 389 T CB 0.078 68.770 68.868 -0.293 0.000 0.963 389 T HN 0.157 nan 8.240 nan 0.000 0.545 390 P HA 0.191 nan 4.420 nan 0.000 0.269 390 P C -0.579 176.792 177.300 0.118 0.000 1.215 390 P CA -0.481 62.684 63.100 0.109 0.000 0.780 390 P CB 0.502 32.295 31.700 0.155 0.000 0.898 391 K N 1.803 122.257 120.400 0.090 0.000 2.267 391 K HA 0.358 4.677 4.320 -0.002 0.000 0.282 391 K C 0.108 176.759 176.600 0.085 0.000 1.078 391 K CA -0.515 55.821 56.287 0.081 0.000 0.903 391 K CB 0.771 33.305 32.500 0.057 0.000 1.111 391 K HN 0.357 nan 8.250 nan 0.000 0.475 392 V N -0.100 119.872 119.914 0.095 0.000 3.001 392 V HA 0.514 4.632 4.120 -0.002 0.000 0.314 392 V C 0.173 176.307 176.094 0.066 0.000 1.099 392 V CA -1.334 61.019 62.300 0.089 0.000 0.989 392 V CB 1.772 33.666 31.823 0.119 0.000 1.040 392 V HN 0.380 nan 8.190 nan 0.000 0.434 393 I N 1.906 122.509 120.570 0.055 0.000 2.598 393 I HA 0.073 4.242 4.170 -0.002 0.000 0.284 393 I C 0.928 177.068 176.117 0.038 0.000 1.140 393 I CA 0.304 61.626 61.300 0.037 0.000 1.420 393 I CB 0.431 38.450 38.000 0.031 0.000 1.387 393 I HN 0.927 nan 8.210 nan 0.000 0.553 394 c N 6.783 125.391 118.600 0.014 0.000 2.590 394 c HA 0.301 4.869 4.570 -0.002 0.000 0.411 394 c C 1.653 175.732 174.090 -0.018 0.000 1.420 394 c CA 1.141 57.465 56.329 -0.009 0.000 1.643 394 c CB -1.271 41.210 42.510 -0.049 0.000 2.528 394 c HN 1.116 nan 8.230 nan 0.000 0.606 395 G N 4.651 113.449 108.800 -0.003 0.000 2.184 395 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.264 395 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.264 395 G C 0.372 175.363 174.900 0.152 0.000 0.975 395 G CA 0.630 45.724 45.100 -0.010 0.000 0.642 395 G HN 1.086 nan 8.290 nan 0.000 0.536 396 T N 2.483 117.113 114.554 0.127 0.000 2.834 396 T HA 0.483 4.832 4.350 -0.002 0.000 0.298 396 T C -2.174 172.614 174.700 0.147 0.000 0.966 396 T CA -0.792 61.381 62.100 0.121 0.000 1.141 396 T CB 0.738 69.648 68.868 0.071 0.000 0.905 396 T HN 0.076 nan 8.240 nan 0.000 0.535 397 P HA 0.274 nan 4.420 nan 0.000 0.269 397 P C -0.846 176.421 177.300 -0.054 0.000 1.263 397 P CA 0.193 63.287 63.100 -0.009 0.000 0.813 397 P CB -0.176 31.517 31.700 -0.010 0.000 0.868 398 I N 5.888 126.402 120.570 -0.093 0.000 2.563 398 I HA 0.275 4.444 4.170 -0.002 0.000 0.276 398 I C -2.370 173.660 176.117 -0.145 0.000 1.074 398 I CA -2.754 58.506 61.300 -0.066 0.000 1.124 398 I CB 1.784 39.797 38.000 0.021 0.000 1.225 398 I HN 0.029 nan 8.210 nan 0.000 0.482 399 P HA 0.035 nan 4.420 nan 0.000 0.262 399 P C -0.230 176.998 177.300 -0.120 0.000 1.199 399 P CA 0.086 62.986 63.100 -0.333 0.000 0.763 399 P CB 0.605 32.182 31.700 -0.204 0.000 0.790 400 A N 5.010 127.792 122.820 -0.063 0.000 2.309 400 A HA 0.531 4.850 4.320 -0.002 0.000 0.290 400 A C -0.113 177.571 177.584 0.167 0.000 1.206 400 A CA -0.344 51.766 52.037 0.122 0.000 0.850 400 A CB -0.294 18.867 19.000 0.270 0.000 1.118 400 A HN 0.499 nan 8.150 nan 0.000 0.523 401 I N 2.311 122.912 120.570 0.050 0.000 2.478 401 I HA 0.419 4.588 4.170 -0.002 0.000 0.287 401 I C 0.621 176.701 176.117 -0.061 0.000 1.042 401 I CA -0.515 60.783 61.300 -0.004 0.000 1.067 401 I CB 1.965 39.945 38.000 -0.033 0.000 1.233 401 I HN 0.707 nan 8.210 nan 0.000 0.431 402 A N 4.326 127.096 122.820 -0.083 0.000 2.524 402 A HA 0.476 4.795 4.320 -0.002 0.000 0.250 402 A C 1.304 178.815 177.584 -0.121 0.000 1.078 402 A CA 0.913 52.876 52.037 -0.125 0.000 0.761 402 A CB -0.335 18.592 19.000 -0.121 0.000 1.012 402 A HN 1.344 nan 8.150 nan 0.000 0.500 403 G N 1.337 110.046 108.800 -0.151 0.000 2.217 403 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.246 403 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.246 403 G C 0.592 175.428 174.900 -0.107 0.000 0.990 403 G CA 0.538 45.560 45.100 -0.130 0.000 0.627 403 G HN 0.642 nan 8.290 nan 0.000 0.522 404 I N 0.503 121.014 120.570 -0.097 0.000 3.518 404 I HA 0.147 4.316 4.170 -0.002 0.000 0.260 404 I C 2.661 178.740 176.117 -0.064 0.000 1.148 404 I CA 2.288 63.546 61.300 -0.071 0.000 1.440 404 I CB -1.122 36.846 38.000 -0.055 0.000 1.485 404 I HN 0.365 nan 8.210 nan 0.000 0.456 405 T N -1.632 112.886 114.554 -0.059 0.000 3.037 405 T HA 0.118 4.467 4.350 -0.002 0.000 0.251 405 T C 0.871 175.534 174.700 -0.060 0.000 1.079 405 T CA 0.577 62.658 62.100 -0.031 0.000 1.067 405 T CB -0.276 68.596 68.868 0.006 0.000 0.948 405 T HN 0.384 nan 8.240 nan 0.000 0.496 406 T N -1.025 113.435 114.554 -0.157 0.000 2.864 406 T HA 0.700 5.049 4.350 -0.002 0.000 0.289 406 T C -3.320 171.109 174.700 -0.451 0.000 1.082 406 T CA -2.167 59.716 62.100 -0.362 0.000 1.009 406 T CB 1.536 70.190 68.868 -0.356 0.000 1.234 406 T HN -0.175 nan 8.240 nan 0.000 0.526 407 P HA 0.225 nan 4.420 nan 0.000 0.271 407 P C 0.165 177.252 177.300 -0.355 0.000 1.233 407 P CA -0.356 62.421 63.100 -0.539 0.000 0.789 407 P CB 0.265 31.521 31.700 -0.740 0.000 0.951 408 S N 0.525 116.083 115.700 -0.236 0.000 2.587 408 S HA 0.232 4.701 4.470 -0.002 0.000 0.260 408 S C 1.504 176.014 174.600 -0.150 0.000 1.353 408 S CA 0.098 58.200 58.200 -0.164 0.000 0.995 408 S CB -0.068 63.061 63.200 -0.118 0.000 0.912 408 S HN 0.506 nan 8.310 nan 0.000 0.568 409 A N 0.935 123.686 122.820 -0.116 0.000 1.908 409 A HA -0.144 4.175 4.320 -0.002 0.000 0.218 409 A C 1.713 179.254 177.584 -0.072 0.000 1.181 409 A CA 2.119 54.097 52.037 -0.099 0.000 0.627 409 A CB -1.497 17.453 19.000 -0.083 0.000 0.818 409 A HN 0.931 nan 8.150 nan 0.000 0.445 410 D N -0.917 119.446 120.400 -0.062 0.000 2.144 410 D HA -0.121 4.518 4.640 -0.002 0.000 0.199 410 D C 2.260 178.541 176.300 -0.032 0.000 0.984 410 D CA 1.421 55.397 54.000 -0.040 0.000 0.834 410 D CB -0.128 40.648 40.800 -0.040 0.000 0.955 410 D HN 0.619 nan 8.370 nan 0.000 0.465 411 Q N -0.205 119.559 119.800 -0.060 0.000 2.123 411 Q HA -0.069 4.270 4.340 -0.002 0.000 0.199 411 Q C 2.129 178.124 176.000 -0.008 0.000 0.966 411 Q CA 0.771 56.539 55.803 -0.058 0.000 0.845 411 Q CB 0.224 28.887 28.738 -0.125 0.000 0.907 411 Q HN 0.208 nan 8.270 nan 0.000 0.439 412 V N 0.358 120.259 119.914 -0.022 0.000 2.446 412 V HA -0.154 3.964 4.120 -0.002 0.000 0.244 412 V C 1.888 178.114 176.094 0.219 0.000 1.039 412 V CA 1.368 63.729 62.300 0.101 0.000 1.045 412 V CB -0.167 31.642 31.823 -0.022 0.000 0.681 412 V HN 0.298 nan 8.190 nan 0.000 0.459 413 L N -0.617 120.668 121.223 0.102 0.000 2.408 413 L HA 0.513 4.852 4.340 -0.002 0.000 0.215 413 L C 1.120 178.066 176.870 0.127 0.000 1.081 413 L CA 0.763 55.703 54.840 0.166 0.000 0.840 413 L CB -0.245 41.833 42.059 0.031 0.000 1.002 413 L HN 0.518 nan 8.230 nan 0.000 0.468 414 G N -0.690 108.146 108.800 0.061 0.000 2.699 414 G HA2 -0.219 3.739 3.960 -0.002 0.000 0.686 414 G HA3 -0.219 3.739 3.960 -0.002 0.000 0.686 414 G C 0.322 175.224 174.900 0.003 0.000 1.301 414 G CA -0.251 44.863 45.100 0.023 0.000 0.816 414 G HN -0.069 nan 8.290 nan 0.000 0.595 415 S N -0.468 115.227 115.700 -0.008 0.000 2.370 415 S HA -0.155 4.314 4.470 -0.002 0.000 0.226 415 S C 1.957 176.547 174.600 -0.016 0.000 1.033 415 S CA 2.178 60.369 58.200 -0.015 0.000 1.011 415 S CB -0.297 62.894 63.200 -0.016 0.000 0.852 415 S HN 0.870 nan 8.310 nan 0.000 0.457 416 D N 1.116 121.507 120.400 -0.015 0.000 2.084 416 D HA -0.056 4.583 4.640 -0.002 0.000 0.194 416 D C 1.811 178.100 176.300 -0.018 0.000 0.990 416 D CA 1.150 55.139 54.000 -0.018 0.000 0.826 416 D CB -0.280 40.508 40.800 -0.021 0.000 0.971 416 D HN 0.312 nan 8.370 nan 0.000 0.453 417 L N -0.150 121.066 121.223 -0.011 0.000 2.217 417 L HA 0.061 4.400 4.340 -0.002 0.000 0.211 417 L C 2.514 179.368 176.870 -0.026 0.000 1.107 417 L CA 0.806 55.639 54.840 -0.012 0.000 0.783 417 L CB -0.339 41.730 42.059 0.017 0.000 0.919 417 L HN 0.064 nan 8.230 nan 0.000 0.442 418 A N 0.136 122.941 122.820 -0.024 0.000 1.930 418 A HA -0.172 4.147 4.320 -0.002 0.000 0.217 418 A C 2.011 179.573 177.584 -0.038 0.000 1.175 418 A CA 1.503 53.517 52.037 -0.038 0.000 0.627 418 A CB -0.414 18.564 19.000 -0.036 0.000 0.815 418 A HN 0.378 nan 8.150 nan 0.000 0.443 419 N N 0.010 118.692 118.700 -0.030 0.000 2.188 419 N HA -0.139 4.600 4.740 -0.002 0.000 0.184 419 N C 1.864 177.356 175.510 -0.029 0.000 1.018 419 N CA 1.432 54.466 53.050 -0.026 0.000 0.858 419 N CB -0.417 38.058 38.487 -0.020 0.000 0.989 419 N HN 0.654 nan 8.380 nan 0.000 0.426 420 Q N -0.105 119.675 119.800 -0.033 0.000 2.124 420 Q HA -0.080 4.258 4.340 -0.002 0.000 0.202 420 Q C 1.873 177.837 176.000 -0.060 0.000 0.977 420 Q CA 0.761 56.541 55.803 -0.039 0.000 0.850 420 Q CB -0.100 28.615 28.738 -0.038 0.000 0.901 420 Q HN 0.202 nan 8.270 nan 0.000 0.429 421 L N 0.733 121.913 121.223 -0.071 0.000 2.093 421 L HA -0.127 4.211 4.340 -0.002 0.000 0.208 421 L C 2.092 178.910 176.870 -0.087 0.000 1.085 421 L CA 1.638 56.417 54.840 -0.103 0.000 0.755 421 L CB -0.167 41.830 42.059 -0.104 0.000 0.904 421 L HN -0.001 nan 8.230 nan 0.000 0.435 422 R N -0.899 119.568 120.500 -0.054 0.000 2.148 422 R HA -0.085 4.253 4.340 -0.002 0.000 0.227 422 R C 2.261 178.549 176.300 -0.019 0.000 1.103 422 R CA 1.275 57.356 56.100 -0.033 0.000 0.983 422 R CB -0.342 29.944 30.300 -0.024 0.000 0.874 422 R HN 0.610 nan 8.270 nan 0.000 0.451 423 S N 0.189 115.877 115.700 -0.021 0.000 2.561 423 S HA 0.028 4.497 4.470 -0.002 0.000 0.225 423 S C 1.825 176.431 174.600 0.010 0.000 0.977 423 S CA 0.378 58.576 58.200 -0.003 0.000 0.926 423 S CB -0.105 63.093 63.200 -0.003 0.000 0.769 423 S HN 0.230 nan 8.310 nan 0.000 0.533 424 L N 1.083 122.295 121.223 -0.020 0.000 2.313 424 L HA 0.104 4.443 4.340 -0.002 0.000 0.214 424 L C 1.093 178.027 176.870 0.107 0.000 1.119 424 L CA 0.128 54.968 54.840 -0.000 0.000 0.809 424 L CB -0.822 41.095 42.059 -0.238 0.000 0.933 424 L HN 0.310 nan 8.230 nan 0.000 0.449 425 N N 1.322 120.058 118.700 0.060 0.000 2.386 425 N HA -0.004 4.735 4.740 -0.002 0.000 0.273 425 N C 1.025 176.590 175.510 0.091 0.000 1.331 425 N CA 1.259 54.358 53.050 0.082 0.000 0.891 425 N CB 0.522 39.038 38.487 0.047 0.000 1.139 425 N HN 0.366 nan 8.380 nan 0.000 0.487 426 G N 2.482 111.347 108.800 0.108 0.000 2.176 426 G HA2 -0.257 3.701 3.960 -0.002 0.000 0.253 426 G HA3 -0.257 3.701 3.960 -0.002 0.000 0.253 426 G C 0.031 174.984 174.900 0.088 0.000 0.979 426 G CA 0.120 45.268 45.100 0.080 0.000 0.641 426 G HN 0.612 nan 8.290 nan 0.000 0.530 427 K N 0.700 121.187 120.400 0.145 0.000 2.143 427 K HA 0.380 4.699 4.320 -0.002 0.000 0.272 427 K C 0.598 177.270 176.600 0.119 0.000 1.001 427 K CA -0.546 55.832 56.287 0.151 0.000 0.915 427 K CB 0.858 33.478 32.500 0.200 0.000 1.047 427 K HN 0.283 nan 8.250 nan 0.000 0.458 428 Q N 1.469 121.307 119.800 0.063 0.000 2.337 428 Q HA 0.004 4.343 4.340 -0.002 0.000 0.270 428 Q C 0.317 176.301 176.000 -0.026 0.000 1.002 428 Q CA 0.203 56.003 55.803 -0.005 0.000 0.888 428 Q CB 1.002 29.751 28.738 0.019 0.000 1.222 428 Q HN 0.709 nan 8.270 nan 0.000 0.400 429 S N 1.049 116.625 115.700 -0.207 0.000 2.666 429 S HA 0.449 4.918 4.470 -0.002 0.000 0.279 429 S C 1.011 175.618 174.600 0.012 0.000 1.149 429 S CA -0.199 57.876 58.200 -0.208 0.000 1.020 429 S CB 0.942 63.783 63.200 -0.598 0.000 1.127 429 S HN 0.672 nan 8.310 nan 0.000 0.537 430 A N -0.114 122.736 122.820 0.050 0.000 1.972 430 A HA 0.112 4.431 4.320 -0.002 0.000 0.219 430 A C 1.564 179.048 177.584 -0.166 0.000 1.169 430 A CA 1.115 53.105 52.037 -0.079 0.000 0.635 430 A CB -1.116 17.808 19.000 -0.126 0.000 0.810 430 A HN 0.740 nan 8.150 nan 0.000 0.446 431 F N -1.127 118.882 119.950 0.097 0.000 2.780 431 F HA 0.325 4.851 4.527 -0.002 0.000 0.299 431 F C 2.045 177.977 175.800 0.219 0.000 1.146 431 F CA 0.755 58.878 58.000 0.205 0.000 1.428 431 F CB 0.075 39.120 39.000 0.075 0.000 1.115 431 F HN 0.389 nan 8.300 nan 0.000 0.583 432 G N -0.550 108.376 108.800 0.210 0.000 2.317 432 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.227 432 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.227 432 G C 0.574 175.525 174.900 0.085 0.000 1.042 432 G CA -0.415 44.758 45.100 0.122 0.000 0.623 432 G HN 0.157 nan 8.290 nan 0.000 0.509 433 K N 2.360 122.836 120.400 0.126 0.000 2.382 433 K HA 0.351 4.670 4.320 -0.002 0.000 0.275 433 K C -2.269 174.262 176.600 -0.116 0.000 1.009 433 K CA -1.048 55.262 56.287 0.038 0.000 0.970 433 K CB 1.298 33.838 32.500 0.068 0.000 0.934 433 K HN 0.293 nan 8.250 nan 0.000 0.479 434 P HA 0.167 nan 4.420 nan 0.000 0.281 434 P C -0.532 176.655 177.300 -0.189 0.000 1.249 434 P CA -0.363 62.659 63.100 -0.131 0.000 0.810 434 P CB 0.412 32.100 31.700 -0.020 0.000 1.008 435 F N 0.593 120.537 119.950 -0.010 0.000 2.444 435 F HA 0.455 4.980 4.527 -0.002 0.000 0.331 435 F C 1.733 177.487 175.800 -0.077 0.000 1.167 435 F CA 0.934 58.892 58.000 -0.069 0.000 1.262 435 F CB -0.018 38.948 39.000 -0.057 0.000 1.196 435 F HN 0.369 nan 8.300 nan 0.000 0.583 436 G N 0.397 109.242 108.800 0.075 0.000 2.990 436 G HA2 0.623 4.582 3.960 -0.002 0.000 0.208 436 G HA3 0.623 4.582 3.960 -0.002 0.000 0.208 436 G C -2.780 172.149 174.900 0.049 0.000 1.334 436 G CA -1.265 43.852 45.100 0.029 0.000 1.024 436 G HN 0.380 nan 8.290 nan 0.000 0.574 437 P HA 0.277 nan 4.420 nan 0.000 0.277 437 P C 0.715 178.122 177.300 0.179 0.000 1.276 437 P CA -0.426 62.749 63.100 0.126 0.000 0.788 437 P CB 1.498 33.277 31.700 0.132 0.000 1.114 438 I N -0.971 119.661 120.570 0.104 0.000 2.439 438 I HA -0.071 4.097 4.170 -0.002 0.000 0.251 438 I C 1.214 177.410 176.117 0.131 0.000 1.139 438 I CA 1.332 62.684 61.300 0.086 0.000 1.438 438 I CB -0.482 37.515 38.000 -0.005 0.000 1.085 438 I HN 0.433 nan 8.210 nan 0.000 0.427 439 T N -1.062 113.518 114.554 0.043 0.000 2.856 439 T HA 0.481 4.830 4.350 -0.002 0.000 0.283 439 T C -2.368 172.091 174.700 -0.401 0.000 1.008 439 T CA -1.979 60.019 62.100 -0.171 0.000 0.997 439 T CB 1.887 70.678 68.868 -0.128 0.000 0.992 439 T HN -0.170 nan 8.240 nan 0.000 0.454 440 P HA 0.000 nan 4.420 nan 0.000 0.216 440 P CA 0.000 62.528 63.100 -0.953 0.000 0.800 440 P CB 0.000 31.101 31.700 -0.999 0.000 0.726