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 2wzh_1_A DATA FIRST_RESID 4 DATA SEQUENCE SLQPPPQQLI VQNKTIDLPA VYQLNGGEEA NPHAVKVLKE LLXXXXXXXX DATA SEQUENCE GMLISIGEKG DKSVRKYSRQ IPDHKEGYYL SVNEKEIVLA GNDERGTYYA DATA SEQUENCE LQTFAQLLKD GKLPEVEIKD YPSVRYRGVV EGFYGTPWSH QARLSQLKFY DATA SEQUENCE GKNKMNTYIY GPKDDPYHSA PNWRLPYPDK EAAQLQELVA VANENEVDFV DATA SEQUENCE WAIHPGQDIK WNKEDRDLLL AKFEKMYQLG VRSFAVFFND ISGEGTNPQK DATA SEQUENCE QAELLNYIDE KFAQVKPDIN QLVMCPTEYN KSWSXXXXNY LTTLGDKLNP DATA SEQUENCE SIQIMWTGDR VISDITRDGI SWINERIKRP AYIWWNFPVS DYVRDHLLLG DATA SEQUENCE PVYGNDTTIA KEMSGFVTNP MEHAESSKIA IYSVASYAWN PAKYDTWQTW DATA SEQUENCE KDAIRTILPS AAEELECFAM HNSDLGPNGH GYRREESMDI QPAAERFLKA DATA SEQUENCE FKEGKNYDKA DFETLQYTFE RMKESADILL MNTENKPLIV EITPWVHQFK DATA SEQUENCE LTAEMGEEVL KMVEGXNESY FLRKYNHVKA LQQQMFYIDQ TSNQNPYQPG DATA SEQUENCE VKTATRVIKP LIDRTFATVV KFFNQKFNAH LDATT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.587 174.600 -0.022 0.000 1.055 4 S CA 0.000 58.194 58.200 -0.009 0.000 1.107 4 S CB 0.000 63.203 63.200 0.005 0.000 0.593 5 L N 4.386 125.594 121.223 -0.025 0.000 2.439 5 L HA 0.623 4.948 4.340 -0.025 0.000 0.270 5 L C -0.911 175.911 176.870 -0.080 0.000 0.972 5 L CA -0.609 54.196 54.840 -0.059 0.000 0.836 5 L CB 2.057 44.081 42.059 -0.059 0.000 1.255 5 L HN 0.553 nan 8.230 nan 0.000 0.404 6 Q N 3.710 123.428 119.800 -0.137 0.000 2.310 6 Q HA 0.460 4.785 4.340 -0.025 0.000 0.270 6 Q C -2.540 173.220 176.000 -0.401 0.000 1.025 6 Q CA -1.818 53.849 55.803 -0.227 0.000 0.772 6 Q CB 2.836 31.445 28.738 -0.215 0.000 1.253 6 Q HN 0.246 nan 8.270 nan 0.000 0.450 7 P HA 0.195 nan 4.420 nan 0.000 0.274 7 P C -2.458 174.713 177.300 -0.216 0.000 1.231 7 P CA -1.305 61.609 63.100 -0.311 0.000 0.790 7 P CB 0.005 31.467 31.700 -0.396 0.000 0.951 8 P HA 0.146 nan 4.420 nan 0.000 0.271 8 P C -2.507 174.820 177.300 0.046 0.000 1.216 8 P CA -1.504 61.588 63.100 -0.014 0.000 0.771 8 P CB -0.593 31.116 31.700 0.014 0.000 0.864 9 P HA 0.082 nan 4.420 nan 0.000 0.274 9 P C 0.972 178.264 177.300 -0.013 0.000 1.237 9 P CA -0.047 63.098 63.100 0.075 0.000 0.793 9 P CB 0.715 32.437 31.700 0.036 0.000 0.977 10 Q N -0.024 119.696 119.800 -0.133 0.000 2.124 10 Q HA -0.130 4.196 4.340 -0.025 0.000 0.202 10 Q C 0.821 176.742 176.000 -0.131 0.000 0.977 10 Q CA 1.608 57.251 55.803 -0.266 0.000 0.850 10 Q CB 0.106 28.442 28.738 -0.672 0.000 0.901 10 Q HN 0.605 nan 8.270 nan 0.000 0.429 11 Q N -0.323 119.427 119.800 -0.082 0.000 2.284 11 Q HA 0.511 4.836 4.340 -0.025 0.000 0.269 11 Q C -2.101 173.898 176.000 -0.001 0.000 1.026 11 Q CA -0.480 55.310 55.803 -0.022 0.000 0.831 11 Q CB 1.551 30.296 28.738 0.011 0.000 1.322 11 Q HN 0.091 nan 8.270 nan 0.000 0.419 12 L N 5.073 126.301 121.223 0.008 0.000 2.516 12 L HA 0.625 4.951 4.340 -0.025 0.000 0.267 12 L C -2.138 174.743 176.870 0.018 0.000 0.957 12 L CA -0.202 54.646 54.840 0.013 0.000 0.860 12 L CB 1.928 43.990 42.059 0.006 0.000 1.265 12 L HN 0.740 nan 8.230 nan 0.000 0.403 13 I N 5.874 126.458 120.570 0.025 0.000 2.410 13 I HA 0.532 4.687 4.170 -0.025 0.000 0.286 13 I C -0.788 175.340 176.117 0.019 0.000 1.009 13 I CA -0.909 60.407 61.300 0.025 0.000 1.111 13 I CB 1.953 39.976 38.000 0.038 0.000 1.262 13 I HN 0.289 nan 8.210 nan 0.000 0.443 14 V N 5.901 125.823 119.914 0.013 0.000 2.513 14 V HA 0.266 4.371 4.120 -0.025 0.000 0.299 14 V C 0.291 176.390 176.094 0.009 0.000 1.035 14 V CA -0.423 61.881 62.300 0.007 0.000 0.889 14 V CB 1.873 33.697 31.823 0.001 0.000 0.988 14 V HN 0.674 nan 8.190 nan 0.000 0.440 15 Q N 1.984 121.789 119.800 0.008 0.000 2.247 15 Q HA 0.262 4.588 4.340 -0.025 0.000 0.211 15 Q C 0.484 176.488 176.000 0.007 0.000 0.861 15 Q CA 0.119 55.929 55.803 0.011 0.000 0.949 15 Q CB -0.275 28.472 28.738 0.015 0.000 1.115 15 Q HN 0.799 nan 8.270 nan 0.000 0.507 16 N N 0.323 119.025 118.700 0.003 0.000 2.740 16 N HA -0.200 4.525 4.740 -0.025 0.000 0.248 16 N C -1.327 174.184 175.510 0.001 0.000 1.062 16 N CA 1.089 54.139 53.050 0.001 0.000 0.704 16 N CB -0.559 37.930 38.487 0.002 0.000 0.968 16 N HN 0.248 nan 8.380 nan 0.000 0.547 17 K N -1.072 119.329 120.400 0.001 0.000 2.482 17 K HA 0.716 5.022 4.320 -0.025 0.000 0.257 17 K C -0.239 176.359 176.600 -0.004 0.000 0.969 17 K CA -0.741 55.546 56.287 0.001 0.000 0.842 17 K CB 2.048 34.552 32.500 0.006 0.000 1.359 17 K HN 0.160 nan 8.250 nan 0.000 0.441 18 T N -1.262 113.290 114.554 -0.004 0.000 2.909 18 T HA 0.700 5.035 4.350 -0.025 0.000 0.299 18 T C -0.749 173.948 174.700 -0.005 0.000 1.073 18 T CA -0.712 61.382 62.100 -0.010 0.000 0.999 18 T CB 0.988 69.846 68.868 -0.017 0.000 1.098 18 T HN 0.301 nan 8.240 nan 0.000 0.477 19 I N 1.352 121.919 120.570 -0.006 0.000 2.846 19 I HA 0.538 4.693 4.170 -0.025 0.000 0.307 19 I C -0.592 175.524 176.117 -0.002 0.000 1.053 19 I CA -0.575 60.727 61.300 0.003 0.000 1.050 19 I CB 2.170 40.177 38.000 0.013 0.000 1.239 19 I HN 0.680 nan 8.210 nan 0.000 0.439 20 D N 2.581 122.985 120.400 0.008 0.000 2.210 20 D HA 0.349 4.974 4.640 -0.025 0.000 0.249 20 D C -0.653 175.656 176.300 0.015 0.000 1.062 20 D CA -0.373 53.630 54.000 0.006 0.000 0.891 20 D CB 1.316 42.124 40.800 0.014 0.000 1.186 20 D HN 0.240 nan 8.370 nan 0.000 0.432 21 L N 5.021 126.246 121.223 0.003 0.000 2.534 21 L HA 0.202 4.527 4.340 -0.025 0.000 0.271 21 L C -2.019 174.876 176.870 0.042 0.000 1.178 21 L CA -0.778 54.072 54.840 0.017 0.000 0.907 21 L CB 0.018 42.072 42.059 -0.007 0.000 1.164 21 L HN 0.249 nan 8.230 nan 0.000 0.482 22 P HA 0.033 nan 4.420 nan 0.000 0.266 22 P C -0.003 177.389 177.300 0.153 0.000 1.215 22 P CA 0.073 63.237 63.100 0.108 0.000 0.763 22 P CB 1.052 32.839 31.700 0.145 0.000 0.806 23 A N 4.409 127.297 122.820 0.114 0.000 1.930 23 A HA 0.006 4.312 4.320 -0.025 0.000 0.217 23 A C 0.982 178.642 177.584 0.127 0.000 1.175 23 A CA 1.232 53.335 52.037 0.110 0.000 0.627 23 A CB -0.338 18.699 19.000 0.061 0.000 0.815 23 A HN 0.452 nan 8.150 nan 0.000 0.443 24 V N 0.100 120.075 119.914 0.103 0.000 2.459 24 V HA 0.565 4.671 4.120 -0.025 0.000 0.295 24 V C -0.609 175.556 176.094 0.119 0.000 1.029 24 V CA -0.591 61.733 62.300 0.040 0.000 0.874 24 V CB 0.854 32.674 31.823 -0.004 0.000 0.985 24 V HN 0.535 nan 8.190 nan 0.000 0.438 25 Y N 1.542 121.850 120.300 0.014 0.000 2.597 25 Y HA 0.726 5.262 4.550 -0.024 0.000 0.340 25 Y C -0.812 175.094 175.900 0.011 0.000 1.097 25 Y CA -1.224 56.885 58.100 0.014 0.000 1.037 25 Y CB 1.846 40.316 38.460 0.015 0.000 1.305 25 Y HN 0.548 nan 8.280 nan 0.000 0.463 26 Q N 2.769 122.673 119.800 0.174 0.000 2.333 26 Q HA 0.526 4.851 4.340 -0.025 0.000 0.268 26 Q C -2.180 173.943 176.000 0.204 0.000 1.007 26 Q CA -1.085 54.773 55.803 0.090 0.000 0.810 26 Q CB 1.879 30.648 28.738 0.051 0.000 1.264 26 Q HN 0.873 nan 8.270 nan 0.000 0.452 27 L N 4.743 126.089 121.223 0.205 0.000 2.255 27 L HA 0.482 4.807 4.340 -0.025 0.000 0.289 27 L C -1.407 175.518 176.870 0.092 0.000 1.046 27 L CA -0.081 54.867 54.840 0.179 0.000 0.816 27 L CB 0.904 43.100 42.059 0.229 0.000 1.197 27 L HN 0.562 nan 8.230 nan 0.000 0.427 28 N N 3.617 122.361 118.700 0.072 0.000 2.419 28 N HA 0.673 5.398 4.740 -0.025 0.000 0.277 28 N C 0.751 176.289 175.510 0.047 0.000 1.006 28 N CA 0.508 53.593 53.050 0.058 0.000 0.923 28 N CB 1.741 40.269 38.487 0.069 0.000 1.140 28 N HN 0.811 nan 8.380 nan 0.000 0.488 29 G N 0.885 109.708 108.800 0.038 0.000 2.201 29 G HA2 -0.227 3.718 3.960 -0.025 0.000 0.212 29 G HA3 -0.227 3.718 3.960 -0.025 0.000 0.212 29 G C 1.115 176.026 174.900 0.019 0.000 0.994 29 G CA 0.268 45.386 45.100 0.030 0.000 0.644 29 G HN 0.722 nan 8.290 nan 0.000 0.508 30 G N 0.159 108.972 108.800 0.021 0.000 2.507 30 G HA2 -0.129 3.817 3.960 -0.025 0.000 0.221 30 G HA3 -0.129 3.817 3.960 -0.025 0.000 0.221 30 G C 1.242 176.147 174.900 0.008 0.000 1.119 30 G CA 1.558 46.668 45.100 0.016 0.000 0.751 30 G HN 0.549 nan 8.290 nan 0.000 0.574 31 E N -0.584 119.621 120.200 0.009 0.000 2.385 31 E HA 0.026 4.361 4.350 -0.025 0.000 0.194 31 E C 1.802 178.400 176.600 -0.003 0.000 1.013 31 E CA 0.283 56.684 56.400 0.002 0.000 0.866 31 E CB 0.299 30.002 29.700 0.005 0.000 0.832 31 E HN 0.350 nan 8.360 nan 0.000 0.500 32 E N -0.127 120.074 120.200 0.002 0.000 2.473 32 E HA 0.171 4.506 4.350 -0.025 0.000 0.204 32 E C -0.092 176.506 176.600 -0.003 0.000 0.994 32 E CA -0.078 56.322 56.400 0.000 0.000 0.945 32 E CB 0.854 30.559 29.700 0.009 0.000 0.990 32 E HN 0.112 nan 8.360 nan 0.000 0.493 33 A N 0.931 123.749 122.820 -0.003 0.000 2.287 33 A HA 0.292 4.597 4.320 -0.025 0.000 0.273 33 A C 0.251 177.819 177.584 -0.026 0.000 1.091 33 A CA -0.550 51.485 52.037 -0.005 0.000 0.817 33 A CB 0.150 19.149 19.000 -0.001 0.000 1.069 33 A HN 0.144 nan 8.150 nan 0.000 0.492 34 N N 0.665 119.350 118.700 -0.025 0.000 2.217 34 N HA -0.012 4.713 4.740 -0.025 0.000 0.268 34 N C -1.796 173.660 175.510 -0.090 0.000 1.290 34 N CA -1.041 51.970 53.050 -0.065 0.000 0.831 34 N CB 0.645 39.124 38.487 -0.013 0.000 1.057 34 N HN 0.158 nan 8.380 nan 0.000 0.481 35 P HA -0.072 nan 4.420 nan 0.000 0.217 35 P C 0.499 177.744 177.300 -0.090 0.000 1.151 35 P CA 1.490 64.493 63.100 -0.161 0.000 0.828 35 P CB 0.006 31.569 31.700 -0.227 0.000 0.788 36 H N -0.667 118.422 119.070 0.033 0.000 2.421 36 H HA -0.013 4.529 4.556 -0.024 0.000 0.298 36 H C 1.952 177.417 175.328 0.227 0.000 1.087 36 H CA 1.059 57.159 56.048 0.087 0.000 1.330 36 H CB -0.471 29.259 29.762 -0.052 0.000 1.388 36 H HN 0.094 nan 8.280 nan 0.000 0.526 37 A N 0.684 123.673 122.820 0.282 0.000 1.897 37 A HA -0.078 4.227 4.320 -0.025 0.000 0.215 37 A C 2.527 180.148 177.584 0.063 0.000 1.181 37 A CA 1.149 53.299 52.037 0.188 0.000 0.620 37 A CB -0.672 18.396 19.000 0.113 0.000 0.821 37 A HN 0.221 nan 8.150 nan 0.000 0.443 38 V N 0.482 120.417 119.914 0.036 0.000 2.392 38 V HA -0.288 3.817 4.120 -0.025 0.000 0.249 38 V C 2.503 178.612 176.094 0.025 0.000 1.059 38 V CA 2.368 64.673 62.300 0.008 0.000 1.051 38 V CB -0.673 31.151 31.823 0.002 0.000 0.658 38 V HN 0.580 nan 8.190 nan 0.000 0.455 39 K N -0.076 120.359 120.400 0.059 0.000 2.026 39 K HA -0.156 4.150 4.320 -0.025 0.000 0.208 39 K C 2.113 178.748 176.600 0.058 0.000 1.048 39 K CA 1.649 57.977 56.287 0.068 0.000 0.929 39 K CB -0.246 32.317 32.500 0.104 0.000 0.713 39 K HN 0.364 nan 8.250 nan 0.000 0.439 40 V N 1.807 121.762 119.914 0.068 0.000 2.392 40 V HA -0.263 3.842 4.120 -0.025 0.000 0.249 40 V C 2.288 178.388 176.094 0.010 0.000 1.059 40 V CA 1.492 63.808 62.300 0.027 0.000 1.051 40 V CB -0.442 31.365 31.823 -0.027 0.000 0.658 40 V HN 0.339 nan 8.190 nan 0.000 0.455 41 L N 0.222 121.438 121.223 -0.012 0.000 2.027 41 L HA -0.143 4.183 4.340 -0.025 0.000 0.206 41 L C 2.394 179.246 176.870 -0.030 0.000 1.074 41 L CA 1.978 56.791 54.840 -0.045 0.000 0.745 41 L CB -0.716 41.275 42.059 -0.115 0.000 0.898 41 L HN 0.205 nan 8.230 nan 0.000 0.433 42 K N -0.457 119.938 120.400 -0.009 0.000 2.097 42 K HA -0.161 4.145 4.320 -0.025 0.000 0.205 42 K C 1.922 178.535 176.600 0.022 0.000 1.050 42 K CA 1.688 57.982 56.287 0.013 0.000 0.938 42 K CB -0.182 32.342 32.500 0.038 0.000 0.718 42 K HN 0.473 nan 8.250 nan 0.000 0.442 43 E N 0.967 121.180 120.200 0.022 0.000 2.153 43 E HA -0.156 4.179 4.350 -0.025 0.000 0.194 43 E C 1.920 178.530 176.600 0.015 0.000 0.988 43 E CA 0.841 57.254 56.400 0.022 0.000 0.811 43 E CB -0.088 29.625 29.700 0.022 0.000 0.746 43 E HN 0.244 nan 8.360 nan 0.000 0.466 44 L N 0.634 121.867 121.223 0.016 0.000 2.201 44 L HA -0.046 4.279 4.340 -0.025 0.000 0.212 44 L C 1.192 178.065 176.870 0.005 0.000 1.105 44 L CA 0.423 55.274 54.840 0.018 0.000 0.775 44 L CB -0.169 41.934 42.059 0.074 0.000 0.913 44 L HN 0.067 nan 8.230 nan 0.000 0.440 55 M N 1.353 121.006 119.600 0.089 0.000 2.269 55 M HA 0.358 4.823 4.480 -0.025 0.000 0.350 55 M C -0.289 176.082 176.300 0.118 0.000 1.429 55 M CA -0.424 54.934 55.300 0.097 0.000 1.063 55 M CB 0.382 33.042 32.600 0.100 0.000 1.841 55 M HN 0.510 nan 8.290 nan 0.000 0.455 56 L N 7.504 128.781 121.223 0.091 0.000 2.360 56 L HA 0.395 4.720 4.340 -0.025 0.000 0.276 56 L C -1.061 175.848 176.870 0.066 0.000 1.121 56 L CA 0.567 55.461 54.840 0.091 0.000 0.845 56 L CB 0.276 42.388 42.059 0.088 0.000 1.143 56 L HN 0.650 nan 8.230 nan 0.000 0.452 57 I N 4.374 124.980 120.570 0.061 0.000 2.389 57 I HA 0.331 4.487 4.170 -0.025 0.000 0.288 57 I C -0.293 175.818 176.117 -0.009 0.000 0.999 57 I CA -0.299 60.987 61.300 -0.022 0.000 1.129 57 I CB 1.580 39.522 38.000 -0.097 0.000 1.288 57 I HN 0.531 nan 8.210 nan 0.000 0.444 58 S N 7.203 122.882 115.700 -0.035 0.000 2.456 58 S HA 0.635 5.090 4.470 -0.025 0.000 0.316 58 S C -0.546 174.035 174.600 -0.032 0.000 1.089 58 S CA -0.492 57.719 58.200 0.018 0.000 1.101 58 S CB 1.536 64.808 63.200 0.121 0.000 0.995 58 S HN 0.496 nan 8.310 nan 0.000 0.468 59 I N 2.494 123.057 120.570 -0.011 0.000 2.582 59 I HA 0.830 4.985 4.170 -0.025 0.000 0.292 59 I C -0.225 175.902 176.117 0.016 0.000 1.066 59 I CA 0.067 61.348 61.300 -0.030 0.000 1.053 59 I CB 1.660 39.615 38.000 -0.074 0.000 1.241 59 I HN 0.804 nan 8.210 nan 0.000 0.421 60 G N 5.012 113.831 108.800 0.032 0.000 2.325 60 G HA2 0.303 4.248 3.960 -0.025 0.000 0.297 60 G HA3 0.303 4.248 3.960 -0.025 0.000 0.297 60 G C -2.079 172.862 174.900 0.069 0.000 1.448 60 G CA -0.803 44.326 45.100 0.049 0.000 0.838 60 G HN 0.512 nan 8.290 nan 0.000 0.579 61 E N 0.586 120.823 120.200 0.062 0.000 2.242 61 E HA 0.449 4.784 4.350 -0.025 0.000 0.275 61 E C 0.377 177.021 176.600 0.073 0.000 1.002 61 E CA -0.820 55.623 56.400 0.072 0.000 0.841 61 E CB 1.471 31.203 29.700 0.053 0.000 1.109 61 E HN 0.600 nan 8.360 nan 0.000 0.394 62 K N 1.093 121.542 120.400 0.082 0.000 2.504 62 K HA -0.004 4.301 4.320 -0.025 0.000 0.278 62 K C 0.647 177.273 176.600 0.044 0.000 1.025 62 K CA 1.331 57.659 56.287 0.068 0.000 1.093 62 K CB -0.272 32.265 32.500 0.061 0.000 0.873 62 K HN 0.710 nan 8.250 nan 0.000 0.483 63 G N 3.460 112.282 108.800 0.036 0.000 2.307 63 G HA2 -0.194 3.751 3.960 -0.025 0.000 0.210 63 G HA3 -0.194 3.751 3.960 -0.025 0.000 0.210 63 G C -0.512 174.402 174.900 0.024 0.000 1.005 63 G CA -0.006 45.108 45.100 0.023 0.000 0.634 63 G HN 0.704 nan 8.290 nan 0.000 0.496 64 D N 1.170 121.590 120.400 0.034 0.000 2.414 64 D HA 0.389 5.014 4.640 -0.025 0.000 0.242 64 D C 1.489 177.809 176.300 0.033 0.000 1.129 64 D CA -0.046 53.974 54.000 0.033 0.000 0.885 64 D CB 1.026 41.851 40.800 0.041 0.000 1.198 64 D HN 0.357 nan 8.370 nan 0.000 0.437 65 K N 0.687 121.102 120.400 0.024 0.000 2.152 65 K HA -0.164 4.141 4.320 -0.025 0.000 0.206 65 K C 1.984 178.604 176.600 0.033 0.000 1.048 65 K CA 1.333 57.631 56.287 0.020 0.000 0.933 65 K CB -0.080 32.429 32.500 0.014 0.000 0.721 65 K HN 0.441 nan 8.250 nan 0.000 0.447 66 S N 0.895 116.625 115.700 0.050 0.000 2.383 66 S HA -0.127 4.328 4.470 -0.025 0.000 0.229 66 S C 1.929 176.609 174.600 0.134 0.000 1.030 66 S CA 1.484 59.731 58.200 0.079 0.000 1.002 66 S CB -0.582 62.662 63.200 0.073 0.000 0.829 66 S HN 0.220 nan 8.310 nan 0.000 0.467 67 V N -2.225 117.771 119.914 0.137 0.000 3.427 67 V HA 0.450 4.555 4.120 -0.025 0.000 0.305 67 V C 1.832 177.992 176.094 0.110 0.000 1.412 67 V CA -0.377 62.068 62.300 0.242 0.000 1.086 67 V CB -0.711 31.267 31.823 0.259 0.000 0.964 67 V HN 0.221 nan 8.190 nan 0.000 0.439 68 R N 1.353 121.859 120.500 0.010 0.000 2.153 68 R HA -0.237 4.088 4.340 -0.025 0.000 0.252 68 R C 2.254 178.462 176.300 -0.154 0.000 1.158 68 R CA 2.379 58.449 56.100 -0.051 0.000 0.975 68 R CB -0.342 29.927 30.300 -0.053 0.000 0.871 68 R HN 0.606 nan 8.270 nan 0.000 0.450 69 K N -0.133 120.057 120.400 -0.350 0.000 2.365 69 K HA -0.125 4.180 4.320 -0.025 0.000 0.199 69 K C 0.375 176.596 176.600 -0.631 0.000 1.045 69 K CA 1.060 57.009 56.287 -0.563 0.000 0.962 69 K CB 0.246 32.276 32.500 -0.783 0.000 0.759 69 K HN 0.244 nan 8.250 nan 0.000 0.469 70 Y N -0.171 120.131 120.300 0.003 0.000 2.607 70 Y HA 0.153 4.689 4.550 -0.025 0.000 0.266 70 Y C 1.720 177.565 175.900 -0.091 0.000 1.178 70 Y CA -0.220 57.849 58.100 -0.050 0.000 1.226 70 Y CB 0.274 38.758 38.460 0.042 0.000 1.144 70 Y HN 0.079 nan 8.280 nan 0.000 0.528 71 S N -0.177 115.528 115.700 0.007 0.000 2.447 71 S HA -0.137 4.318 4.470 -0.025 0.000 0.233 71 S C 1.748 176.331 174.600 -0.028 0.000 1.006 71 S CA 0.633 58.838 58.200 0.009 0.000 0.957 71 S CB -0.159 63.040 63.200 -0.002 0.000 0.773 71 S HN 0.472 nan 8.310 nan 0.000 0.507 72 R N 0.258 120.723 120.500 -0.059 0.000 2.275 72 R HA 0.214 4.539 4.340 -0.025 0.000 0.199 72 R C 2.067 178.297 176.300 -0.116 0.000 0.989 72 R CA 0.580 56.636 56.100 -0.072 0.000 1.016 72 R CB -0.132 30.129 30.300 -0.065 0.000 0.918 72 R HN 0.331 nan 8.270 nan 0.000 0.473 73 Q N 0.369 120.047 119.800 -0.204 0.000 2.269 73 Q HA 0.132 4.458 4.340 -0.025 0.000 0.201 73 Q C 0.044 175.897 176.000 -0.246 0.000 0.946 73 Q CA 0.632 56.170 55.803 -0.442 0.000 0.877 73 Q CB 0.438 28.505 28.738 -1.118 0.000 0.963 73 Q HN 0.227 nan 8.270 nan 0.000 0.472 74 I N 2.641 123.172 120.570 -0.065 0.000 2.452 74 I HA 0.113 4.269 4.170 -0.025 0.000 0.287 74 I C -2.064 174.094 176.117 0.067 0.000 1.079 74 I CA -1.948 59.402 61.300 0.084 0.000 1.387 74 I CB 0.727 38.795 38.000 0.113 0.000 1.404 74 I HN -0.041 nan 8.210 nan 0.000 0.522 75 P HA -0.036 nan 4.420 nan 0.000 0.268 75 P C -0.480 176.840 177.300 0.033 0.000 1.204 75 P CA -0.114 63.053 63.100 0.112 0.000 0.768 75 P CB 0.437 32.283 31.700 0.244 0.000 0.842 76 D N 2.997 123.317 120.400 -0.133 0.000 2.713 76 D HA 0.041 4.666 4.640 -0.025 0.000 0.229 76 D C -0.566 175.393 176.300 -0.567 0.000 1.136 76 D CA 0.169 54.009 54.000 -0.266 0.000 1.010 76 D CB -0.738 39.901 40.800 -0.270 0.000 1.084 76 D HN 0.311 nan 8.370 nan 0.000 0.495 77 H N 0.873 119.854 119.070 -0.150 0.000 2.806 77 H HA 0.209 4.750 4.556 -0.024 0.000 0.367 77 H C 0.130 175.433 175.328 -0.042 0.000 1.136 77 H CA -0.840 55.105 56.048 -0.171 0.000 1.178 77 H CB 1.458 31.003 29.762 -0.362 0.000 1.718 77 H HN 0.025 nan 8.280 nan 0.000 0.540 78 K N 1.875 122.318 120.400 0.071 0.000 2.511 78 K HA -0.140 4.166 4.320 -0.025 0.000 0.277 78 K C 0.259 176.955 176.600 0.161 0.000 1.025 78 K CA 1.014 57.354 56.287 0.088 0.000 1.112 78 K CB 0.286 32.811 32.500 0.042 0.000 0.859 78 K HN 0.786 nan 8.250 nan 0.000 0.485 79 E N -0.999 119.330 120.200 0.216 0.000 3.801 79 E HA -0.177 4.158 4.350 -0.025 0.000 0.319 79 E C 0.516 177.429 176.600 0.521 0.000 0.784 79 E CA 0.666 57.291 56.400 0.375 0.000 1.183 79 E CB -1.336 28.657 29.700 0.488 0.000 1.601 79 E HN 0.852 nan 8.360 nan 0.000 0.441 80 G N 0.169 109.201 108.800 0.386 0.000 2.599 80 G HA2 0.455 4.401 3.960 -0.025 0.000 0.264 80 G HA3 0.455 4.401 3.960 -0.025 0.000 0.264 80 G C -0.389 174.793 174.900 0.470 0.000 1.200 80 G CA 0.285 45.627 45.100 0.404 0.000 0.896 80 G HN 0.273 nan 8.290 nan 0.000 0.536 81 Y N -1.870 118.628 120.300 0.331 0.000 2.604 81 Y HA 0.589 5.124 4.550 -0.025 0.000 0.331 81 Y C -1.862 174.216 175.900 0.297 0.000 1.158 81 Y CA -2.060 56.204 58.100 0.273 0.000 1.056 81 Y CB 1.122 39.724 38.460 0.237 0.000 1.330 81 Y HN 0.670 nan 8.280 nan 0.000 0.457 82 Y N 4.214 124.653 120.300 0.231 0.000 2.377 82 Y HA 0.756 5.291 4.550 -0.025 0.000 0.339 82 Y C -1.676 174.356 175.900 0.219 0.000 1.011 82 Y CA -1.842 56.342 58.100 0.140 0.000 1.093 82 Y CB 1.651 40.170 38.460 0.098 0.000 1.201 82 Y HN 0.973 nan 8.280 nan 0.000 0.455 83 L N 5.721 126.741 121.223 -0.338 0.000 2.410 83 L HA 0.681 5.006 4.340 -0.025 0.000 0.270 83 L C -1.374 175.108 176.870 -0.646 0.000 0.983 83 L CA -0.316 54.323 54.840 -0.335 0.000 0.822 83 L CB 1.736 43.834 42.059 0.065 0.000 1.285 83 L HN 0.688 nan 8.230 nan 0.000 0.409 84 S N 3.561 118.904 115.700 -0.595 0.000 2.557 84 S HA 0.768 5.224 4.470 -0.025 0.000 0.291 84 S C -1.325 173.170 174.600 -0.176 0.000 1.116 84 S CA -0.455 57.502 58.200 -0.404 0.000 0.992 84 S CB 1.764 64.712 63.200 -0.419 0.000 1.028 84 S HN 0.405 nan 8.310 nan 0.000 0.484 85 V N 5.720 125.591 119.914 -0.072 0.000 2.444 85 V HA 0.612 4.717 4.120 -0.025 0.000 0.294 85 V C -0.448 175.647 176.094 0.001 0.000 1.022 85 V CA -0.787 61.510 62.300 -0.006 0.000 0.850 85 V CB 1.261 33.109 31.823 0.043 0.000 0.992 85 V HN 0.982 nan 8.190 nan 0.000 0.426 86 N N 2.145 120.852 118.700 0.012 0.000 3.157 86 N HA 0.312 5.038 4.740 -0.025 0.000 0.291 86 N C 0.576 176.103 175.510 0.028 0.000 1.515 86 N CA -0.539 52.525 53.050 0.023 0.000 0.807 86 N CB 0.787 39.293 38.487 0.032 0.000 1.672 86 N HN 0.517 nan 8.380 nan 0.000 0.592 87 E N -0.579 119.639 120.200 0.030 0.000 2.268 87 E HA -0.226 4.109 4.350 -0.025 0.000 0.195 87 E C 1.014 177.636 176.600 0.038 0.000 0.995 87 E CA 1.289 57.708 56.400 0.031 0.000 0.836 87 E CB -0.221 29.495 29.700 0.028 0.000 0.763 87 E HN 0.747 nan 8.360 nan 0.000 0.491 88 K N 1.328 121.753 120.400 0.043 0.000 2.168 88 K HA 0.018 4.323 4.320 -0.025 0.000 0.201 88 K C 0.974 177.607 176.600 0.054 0.000 1.049 88 K CA 0.787 57.104 56.287 0.050 0.000 0.974 88 K CB 0.165 32.699 32.500 0.056 0.000 0.792 88 K HN 0.254 nan 8.250 nan 0.000 0.463 89 E N 0.278 120.506 120.200 0.047 0.000 2.445 89 E HA 0.364 4.699 4.350 -0.025 0.000 0.279 89 E C -1.349 175.247 176.600 -0.007 0.000 1.018 89 E CA -1.003 55.419 56.400 0.035 0.000 0.816 89 E CB 1.391 31.128 29.700 0.063 0.000 1.356 89 E HN 0.119 nan 8.360 nan 0.000 0.462 90 I N 1.434 121.980 120.570 -0.041 0.000 2.509 90 I HA 0.424 4.579 4.170 -0.025 0.000 0.293 90 I C -0.923 175.077 176.117 -0.195 0.000 1.020 90 I CA -1.260 59.974 61.300 -0.111 0.000 1.088 90 I CB 2.103 40.037 38.000 -0.110 0.000 1.267 90 I HN 0.313 nan 8.210 nan 0.000 0.430 91 V N 7.318 127.062 119.914 -0.283 0.000 2.531 91 V HA 0.451 4.557 4.120 -0.025 0.000 0.301 91 V C -0.379 175.537 176.094 -0.296 0.000 1.034 91 V CA -0.455 61.633 62.300 -0.354 0.000 0.865 91 V CB 2.015 33.474 31.823 -0.607 0.000 0.995 91 V HN 0.472 nan 8.190 nan 0.000 0.424 92 L N 4.811 125.909 121.223 -0.208 0.000 2.417 92 L HA 0.769 5.095 4.340 -0.025 0.000 0.259 92 L C 0.050 176.909 176.870 -0.018 0.000 1.023 92 L CA -0.262 54.485 54.840 -0.155 0.000 0.901 92 L CB 1.450 43.348 42.059 -0.267 0.000 1.227 92 L HN 0.711 nan 8.230 nan 0.000 0.454 93 A N 1.822 124.703 122.820 0.102 0.000 2.310 93 A HA 0.788 5.093 4.320 -0.025 0.000 0.304 93 A C 0.286 178.019 177.584 0.247 0.000 1.231 93 A CA -0.370 51.778 52.037 0.184 0.000 0.799 93 A CB 0.961 20.121 19.000 0.266 0.000 1.162 93 A HN 0.582 nan 8.150 nan 0.000 0.486 94 G N 0.737 109.653 108.800 0.194 0.000 2.448 94 G HA2 0.341 4.286 3.960 -0.025 0.000 0.285 94 G HA3 0.341 4.286 3.960 -0.025 0.000 0.285 94 G C 0.576 175.590 174.900 0.190 0.000 1.176 94 G CA -0.371 44.866 45.100 0.228 0.000 0.852 94 G HN 0.678 nan 8.290 nan 0.000 0.530 95 N N -0.350 118.472 118.700 0.203 0.000 2.396 95 N HA -0.001 4.724 4.740 -0.025 0.000 0.180 95 N C 0.072 175.644 175.510 0.104 0.000 1.028 95 N CA 1.263 54.395 53.050 0.137 0.000 0.893 95 N CB 0.170 38.735 38.487 0.130 0.000 0.967 95 N HN 0.738 nan 8.380 nan 0.000 0.440 96 D N -2.870 117.598 120.400 0.114 0.000 2.677 96 D HA 0.160 4.785 4.640 -0.025 0.000 0.298 96 D C 0.236 176.577 176.300 0.069 0.000 1.250 96 D CA -0.611 53.436 54.000 0.078 0.000 0.888 96 D CB 0.243 41.086 40.800 0.072 0.000 1.397 96 D HN -0.126 nan 8.370 nan 0.000 0.461 97 E N -0.690 119.534 120.200 0.040 0.000 2.118 97 E HA -0.201 4.134 4.350 -0.025 0.000 0.195 97 E C 1.722 178.326 176.600 0.007 0.000 0.992 97 E CA 0.943 57.356 56.400 0.022 0.000 0.804 97 E CB 0.102 29.803 29.700 0.002 0.000 0.741 97 E HN 0.370 nan 8.360 nan 0.000 0.458 98 R N 0.398 120.880 120.500 -0.030 0.000 2.090 98 R HA -0.076 4.250 4.340 -0.025 0.000 0.228 98 R C 2.388 178.551 176.300 -0.228 0.000 1.110 98 R CA 1.236 57.226 56.100 -0.184 0.000 0.973 98 R CB -0.335 29.842 30.300 -0.206 0.000 0.869 98 R HN 0.182 nan 8.270 nan 0.000 0.440 99 G N -0.339 108.485 108.800 0.040 0.000 2.469 99 G HA2 -0.276 3.669 3.960 -0.025 0.000 0.220 99 G HA3 -0.276 3.669 3.960 -0.025 0.000 0.220 99 G C 1.255 176.263 174.900 0.181 0.000 1.136 99 G CA 1.425 46.681 45.100 0.261 0.000 0.759 99 G HN 0.367 nan 8.290 nan 0.000 0.562 100 T N -0.368 114.247 114.554 0.101 0.000 2.777 100 T HA -0.142 4.193 4.350 -0.025 0.000 0.266 100 T C 1.981 176.687 174.700 0.009 0.000 1.040 100 T CA 1.233 63.365 62.100 0.053 0.000 1.141 100 T CB -0.331 68.568 68.868 0.051 0.000 0.868 100 T HN 0.353 nan 8.240 nan 0.000 0.444 101 Y N 0.966 121.203 120.300 -0.105 0.000 2.145 101 Y HA -0.219 4.316 4.550 -0.025 0.000 0.286 101 Y C 2.139 178.013 175.900 -0.043 0.000 1.145 101 Y CA 1.134 59.179 58.100 -0.092 0.000 1.148 101 Y CB -0.500 37.886 38.460 -0.123 0.000 0.981 101 Y HN 0.159 nan 8.280 nan 0.000 0.507 102 Y N -0.144 120.133 120.300 -0.038 0.000 2.207 102 Y HA -0.231 4.304 4.550 -0.024 0.000 0.287 102 Y C 2.708 178.137 175.900 -0.784 0.000 1.156 102 Y CA 0.610 58.536 58.100 -0.290 0.000 1.182 102 Y CB -1.611 36.859 38.460 0.018 0.000 0.979 102 Y HN 0.259 nan 8.280 nan 0.000 0.521 103 A N 0.102 122.430 122.820 -0.820 0.000 1.892 103 A HA -0.181 4.124 4.320 -0.025 0.000 0.218 103 A C 2.326 179.657 177.584 -0.422 0.000 1.188 103 A CA 1.644 53.124 52.037 -0.927 0.000 0.631 103 A CB -0.953 17.802 19.000 -0.409 0.000 0.822 103 A HN 0.345 nan 8.150 nan 0.000 0.447 104 L N -0.507 120.531 121.223 -0.309 0.000 2.093 104 L HA -0.151 4.175 4.340 -0.025 0.000 0.208 104 L C 2.686 179.440 176.870 -0.193 0.000 1.085 104 L CA 1.556 56.276 54.840 -0.199 0.000 0.755 104 L CB -1.297 40.632 42.059 -0.216 0.000 0.904 104 L HN 0.483 nan 8.230 nan 0.000 0.435 105 Q N -0.988 118.615 119.800 -0.329 0.000 2.167 105 Q HA -0.106 4.220 4.340 -0.025 0.000 0.202 105 Q C 2.126 177.985 176.000 -0.234 0.000 0.970 105 Q CA 1.476 57.102 55.803 -0.296 0.000 0.855 105 Q CB -0.535 28.003 28.738 -0.334 0.000 0.911 105 Q HN 0.454 nan 8.270 nan 0.000 0.438 106 T N 1.163 115.570 114.554 -0.244 0.000 2.737 106 T HA -0.104 4.232 4.350 -0.025 0.000 0.265 106 T C 1.493 176.152 174.700 -0.069 0.000 1.038 106 T CA 0.910 62.920 62.100 -0.149 0.000 1.144 106 T CB -0.417 68.410 68.868 -0.069 0.000 0.866 106 T HN 0.208 nan 8.240 nan 0.000 0.434 107 F N 2.431 122.267 119.950 -0.191 0.000 2.091 107 F HA -0.137 4.375 4.527 -0.025 0.000 0.299 107 F C 2.465 178.184 175.800 -0.135 0.000 1.103 107 F CA 1.173 59.082 58.000 -0.152 0.000 1.228 107 F CB -0.715 38.187 39.000 -0.163 0.000 0.984 107 F HN 0.151 nan 8.300 nan 0.000 0.477 108 A N -0.481 122.267 122.820 -0.120 0.000 2.024 108 A HA -0.245 4.061 4.320 -0.025 0.000 0.220 108 A C 2.059 179.518 177.584 -0.207 0.000 1.164 108 A CA 1.893 53.819 52.037 -0.185 0.000 0.643 108 A CB -0.738 18.197 19.000 -0.107 0.000 0.806 108 A HN 0.658 nan 8.150 nan 0.000 0.451 109 Q N -0.779 118.911 119.800 -0.183 0.000 2.331 109 Q HA 0.159 4.484 4.340 -0.025 0.000 0.203 109 Q C 1.796 177.696 176.000 -0.167 0.000 0.944 109 Q CA 0.560 56.273 55.803 -0.150 0.000 0.892 109 Q CB -0.105 28.559 28.738 -0.123 0.000 0.983 109 Q HN 0.680 nan 8.270 nan 0.000 0.482 110 L N 0.110 121.196 121.223 -0.227 0.000 2.109 110 L HA -0.038 4.287 4.340 -0.025 0.000 0.207 110 L C 0.750 177.460 176.870 -0.267 0.000 1.086 110 L CA -0.067 54.636 54.840 -0.229 0.000 0.760 110 L CB -0.167 41.742 42.059 -0.250 0.000 0.910 110 L HN 0.221 nan 8.230 nan 0.000 0.437 111 L N 1.776 122.774 121.223 -0.375 0.000 2.513 111 L HA 0.067 4.392 4.340 -0.025 0.000 0.272 111 L C -0.224 176.533 176.870 -0.188 0.000 1.187 111 L CA 0.936 55.586 54.840 -0.318 0.000 0.895 111 L CB -0.184 41.651 42.059 -0.373 0.000 1.147 111 L HN 0.021 nan 8.230 nan 0.000 0.483 112 K N 4.529 124.845 120.400 -0.141 0.000 2.731 112 K HA 0.233 4.539 4.320 -0.025 0.000 0.257 112 K C -0.922 175.633 176.600 -0.074 0.000 1.032 112 K CA -0.476 55.753 56.287 -0.096 0.000 0.983 112 K CB 1.129 33.579 32.500 -0.082 0.000 1.248 112 K HN 0.545 nan 8.250 nan 0.000 0.484 113 D N 1.274 121.636 120.400 -0.064 0.000 2.873 113 D HA -0.137 4.488 4.640 -0.025 0.000 0.228 113 D C 0.679 176.952 176.300 -0.045 0.000 1.122 113 D CA 1.848 55.820 54.000 -0.047 0.000 0.758 113 D CB -1.060 39.717 40.800 -0.038 0.000 1.094 113 D HN 0.993 nan 8.370 nan 0.000 0.434 114 G N -0.354 108.412 108.800 -0.057 0.000 2.198 114 G HA2 -0.355 3.590 3.960 -0.025 0.000 0.260 114 G HA3 -0.355 3.590 3.960 -0.025 0.000 0.260 114 G C 0.185 175.055 174.900 -0.050 0.000 1.025 114 G CA 0.983 46.054 45.100 -0.049 0.000 0.769 114 G HN 0.514 nan 8.290 nan 0.000 0.507 115 K N -1.276 119.081 120.400 -0.071 0.000 2.477 115 K HA 0.821 5.126 4.320 -0.025 0.000 0.255 115 K C -0.381 176.159 176.600 -0.099 0.000 0.952 115 K CA -0.851 55.397 56.287 -0.065 0.000 0.826 115 K CB 2.079 34.551 32.500 -0.047 0.000 1.331 115 K HN 0.107 nan 8.250 nan 0.000 0.437 116 L N 2.489 123.662 121.223 -0.084 0.000 2.388 116 L HA 0.608 4.933 4.340 -0.025 0.000 0.264 116 L C -2.380 174.454 176.870 -0.060 0.000 0.998 116 L CA -2.057 52.720 54.840 -0.105 0.000 0.817 116 L CB 2.237 44.232 42.059 -0.107 0.000 1.338 116 L HN 0.490 nan 8.230 nan 0.000 0.414 117 P HA 0.090 nan 4.420 nan 0.000 0.276 117 P C -1.265 176.023 177.300 -0.019 0.000 1.252 117 P CA -0.486 62.594 63.100 -0.034 0.000 0.802 117 P CB 0.902 32.581 31.700 -0.036 0.000 1.035 118 E N 0.996 121.191 120.200 -0.008 0.000 2.152 118 E HA 0.381 4.717 4.350 -0.025 0.000 0.285 118 E C -0.503 176.098 176.600 0.001 0.000 1.043 118 E CA -0.656 55.745 56.400 0.001 0.000 0.839 118 E CB 0.208 29.912 29.700 0.008 0.000 1.069 118 E HN 0.303 nan 8.360 nan 0.000 0.399 119 V N 0.987 120.900 119.914 -0.002 0.000 3.181 119 V HA 0.684 4.790 4.120 -0.025 0.000 0.308 119 V C -1.021 175.063 176.094 -0.017 0.000 1.214 119 V CA -1.088 61.210 62.300 -0.004 0.000 1.053 119 V CB 1.874 33.693 31.823 -0.007 0.000 1.069 119 V HN 0.768 nan 8.190 nan 0.000 0.441 120 E N 0.735 120.931 120.200 -0.007 0.000 2.294 120 E HA 0.704 5.040 4.350 -0.025 0.000 0.272 120 E C -1.889 174.718 176.600 0.012 0.000 0.896 120 E CA -0.475 55.919 56.400 -0.011 0.000 0.802 120 E CB 1.816 31.566 29.700 0.083 0.000 1.267 120 E HN 0.822 nan 8.360 nan 0.000 0.406 121 I N 3.852 124.404 120.570 -0.031 0.000 2.509 121 I HA 0.437 4.592 4.170 -0.025 0.000 0.293 121 I C -0.599 175.542 176.117 0.040 0.000 1.020 121 I CA -0.932 60.374 61.300 0.010 0.000 1.088 121 I CB 2.056 40.078 38.000 0.037 0.000 1.267 121 I HN 0.357 nan 8.210 nan 0.000 0.430 122 K N 4.115 124.539 120.400 0.039 0.000 2.413 122 K HA 0.551 4.856 4.320 -0.025 0.000 0.257 122 K C -1.488 175.048 176.600 -0.108 0.000 0.946 122 K CA -0.717 55.594 56.287 0.040 0.000 0.823 122 K CB 2.107 34.701 32.500 0.156 0.000 1.109 122 K HN 0.394 nan 8.250 nan 0.000 0.427 123 D N 1.689 121.910 120.400 -0.298 0.000 2.602 123 D HA 0.531 5.157 4.640 -0.025 0.000 0.236 123 D C -1.791 174.434 176.300 -0.125 0.000 1.209 123 D CA -0.266 53.521 54.000 -0.356 0.000 0.831 123 D CB 1.310 41.814 40.800 -0.493 0.000 1.478 123 D HN 0.408 nan 8.370 nan 0.000 0.438 124 Y N -2.013 118.224 120.300 -0.105 0.000 2.721 124 Y HA 0.458 4.993 4.550 -0.025 0.000 0.357 124 Y C -3.136 172.031 175.900 -1.221 0.000 1.183 124 Y CA -1.717 56.156 58.100 -0.378 0.000 1.231 124 Y CB 0.513 38.777 38.460 -0.328 0.000 1.390 124 Y HN 0.079 nan 8.280 nan 0.000 0.488 125 P HA 0.261 nan 4.420 nan 0.000 0.282 125 P C -0.159 176.699 177.300 -0.736 0.000 1.249 125 P CA -0.227 61.888 63.100 -1.641 0.000 0.806 125 P CB 2.086 33.198 31.700 -0.979 0.000 0.984 126 S N 0.365 115.681 115.700 -0.641 0.000 2.470 126 S HA 0.075 4.530 4.470 -0.025 0.000 0.225 126 S C 0.888 175.327 174.600 -0.268 0.000 1.006 126 S CA 0.293 58.276 58.200 -0.362 0.000 0.934 126 S CB 0.022 63.019 63.200 -0.338 0.000 0.778 126 S HN 0.325 nan 8.310 nan 0.000 0.517 127 V N 1.660 121.405 119.914 -0.281 0.000 2.604 127 V HA 0.410 4.516 4.120 -0.025 0.000 0.305 127 V C 0.863 176.839 176.094 -0.197 0.000 1.043 127 V CA -0.814 61.368 62.300 -0.198 0.000 0.888 127 V CB 1.993 33.716 31.823 -0.166 0.000 0.995 127 V HN 0.046 nan 8.190 nan 0.000 0.429 128 R N 3.483 123.845 120.500 -0.230 0.000 2.073 128 R HA 0.012 4.338 4.340 -0.025 0.000 0.229 128 R C -0.240 175.769 176.300 -0.484 0.000 1.120 128 R CA 1.583 57.443 56.100 -0.399 0.000 0.967 128 R CB -0.065 29.922 30.300 -0.521 0.000 0.862 128 R HN 0.589 nan 8.270 nan 0.000 0.436 129 Y N 0.097 120.380 120.300 -0.029 0.000 2.341 129 Y HA 0.541 5.076 4.550 -0.026 0.000 0.338 129 Y C -0.553 175.329 175.900 -0.030 0.000 0.965 129 Y CA -0.982 57.113 58.100 -0.009 0.000 1.108 129 Y CB 1.775 40.208 38.460 -0.046 0.000 1.180 129 Y HN -0.121 nan 8.280 nan 0.000 0.458 130 R N 1.914 122.543 120.500 0.215 0.000 2.514 130 R HA 0.769 5.094 4.340 -0.025 0.000 0.296 130 R C -0.180 176.207 176.300 0.145 0.000 1.012 130 R CA -0.691 55.508 56.100 0.166 0.000 0.897 130 R CB 2.101 32.490 30.300 0.149 0.000 1.184 130 R HN 0.920 nan 8.270 nan 0.000 0.440 131 G N 0.828 109.695 108.800 0.111 0.000 2.498 131 G HA2 0.280 4.225 3.960 -0.025 0.000 0.181 131 G HA3 0.280 4.225 3.960 -0.025 0.000 0.181 131 G C -1.757 173.118 174.900 -0.041 0.000 1.169 131 G CA -0.415 44.672 45.100 -0.023 0.000 0.992 131 G HN 0.301 nan 8.290 nan 0.000 0.490 132 V N 0.052 119.894 119.914 -0.120 0.000 2.735 132 V HA 0.706 4.811 4.120 -0.025 0.000 0.310 132 V C -0.619 175.408 176.094 -0.113 0.000 1.061 132 V CA -0.755 61.511 62.300 -0.056 0.000 0.913 132 V CB 1.678 33.528 31.823 0.044 0.000 1.005 132 V HN 1.057 nan 8.190 nan 0.000 0.428 133 V N 4.229 123.966 119.914 -0.294 0.000 2.334 133 V HA 0.449 4.555 4.120 -0.025 0.000 0.281 133 V C 0.296 176.068 176.094 -0.537 0.000 1.016 133 V CA -0.285 61.703 62.300 -0.521 0.000 0.832 133 V CB 1.413 32.695 31.823 -0.903 0.000 0.999 133 V HN 1.030 nan 8.190 nan 0.000 0.439 134 E N 4.984 124.828 120.200 -0.594 0.000 1.775 134 E HA 0.321 4.657 4.350 -0.025 0.000 0.266 134 E C 0.789 176.834 176.600 -0.925 0.000 1.191 134 E CA 0.419 56.319 56.400 -0.834 0.000 1.048 134 E CB 0.087 29.260 29.700 -0.878 0.000 1.081 134 E HN 0.920 nan 8.360 nan 0.000 0.434 135 G N 4.154 112.509 108.800 -0.741 0.000 3.839 135 G HA2 0.097 4.042 3.960 -0.025 0.000 0.286 135 G HA3 0.097 4.042 3.960 -0.025 0.000 0.286 135 G C -0.082 174.561 174.900 -0.429 0.000 1.005 135 G CA -0.458 44.320 45.100 -0.536 0.000 0.824 135 G HN 0.431 nan 8.290 nan 0.000 0.489 136 F N -0.509 119.249 119.950 -0.319 0.000 2.403 136 F HA 0.714 5.224 4.527 -0.027 0.000 0.320 136 F C -0.136 175.489 175.800 -0.291 0.000 1.176 136 F CA -2.356 55.508 58.000 -0.228 0.000 1.206 136 F CB 0.232 39.128 39.000 -0.174 0.000 1.235 136 F HN -0.017 nan 8.300 nan 0.000 0.565 137 Y N 0.917 121.306 120.300 0.149 0.000 2.319 137 Y HA 0.532 5.066 4.550 -0.027 0.000 0.328 137 Y C 0.899 176.945 175.900 0.243 0.000 1.133 137 Y CA 0.565 58.720 58.100 0.093 0.000 1.265 137 Y CB 0.845 39.305 38.460 -0.000 0.000 1.218 137 Y HN 1.087 nan 8.280 nan 0.000 0.508 138 G N 0.601 109.609 108.800 0.346 0.000 2.316 138 G HA2 -0.077 3.868 3.960 -0.025 0.000 0.349 138 G HA3 -0.077 3.868 3.960 -0.025 0.000 0.349 138 G C -1.102 173.970 174.900 0.286 0.000 1.274 138 G CA -1.153 44.133 45.100 0.310 0.000 1.018 138 G HN 0.470 nan 8.290 nan 0.000 0.486 139 T N 3.597 118.301 114.554 0.250 0.000 2.817 139 T HA 0.470 4.805 4.350 -0.025 0.000 0.295 139 T C -1.958 172.943 174.700 0.336 0.000 0.958 139 T CA 0.161 62.402 62.100 0.236 0.000 1.157 139 T CB 0.908 69.890 68.868 0.190 0.000 0.898 139 T HN 0.463 nan 8.240 nan 0.000 0.536 140 P HA 0.092 nan 4.420 nan 0.000 0.270 140 P C -0.185 177.351 177.300 0.392 0.000 1.223 140 P CA -0.719 62.495 63.100 0.190 0.000 0.785 140 P CB 0.416 32.154 31.700 0.065 0.000 0.923 141 W N 1.279 122.727 121.300 0.246 0.000 2.193 141 W HA 0.083 4.729 4.660 -0.024 0.000 0.338 141 W C 0.994 177.612 176.519 0.165 0.000 1.310 141 W CA -0.289 57.178 57.345 0.203 0.000 1.243 141 W CB -0.830 28.756 29.460 0.209 0.000 1.165 141 W HN 0.344 nan 8.180 nan 0.000 0.566 142 S N 1.402 117.289 115.700 0.311 0.000 2.576 142 S HA -0.092 4.364 4.470 -0.025 0.000 0.272 142 S C 1.147 175.888 174.600 0.235 0.000 1.352 142 S CA 0.194 58.533 58.200 0.232 0.000 1.021 142 S CB 0.750 64.037 63.200 0.144 0.000 0.887 142 S HN 0.576 nan 8.310 nan 0.000 0.542 143 H N 1.385 120.544 119.070 0.149 0.000 2.319 143 H HA -0.126 4.415 4.556 -0.025 0.000 0.297 143 H C 2.093 177.456 175.328 0.058 0.000 1.097 143 H CA 2.655 58.773 56.048 0.118 0.000 1.285 143 H CB -0.087 29.728 29.762 0.087 0.000 1.368 143 H HN 0.621 nan 8.280 nan 0.000 0.495 144 Q N -0.148 119.667 119.800 0.025 0.000 2.119 144 Q HA -0.067 4.259 4.340 -0.025 0.000 0.201 144 Q C 2.602 178.520 176.000 -0.137 0.000 0.972 144 Q CA 1.096 56.857 55.803 -0.071 0.000 0.847 144 Q CB -0.604 28.125 28.738 -0.014 0.000 0.903 144 Q HN 0.620 nan 8.270 nan 0.000 0.433 145 A N 1.517 124.270 122.820 -0.113 0.000 1.865 145 A HA -0.246 4.059 4.320 -0.025 0.000 0.217 145 A C 2.194 179.605 177.584 -0.287 0.000 1.191 145 A CA 1.747 53.643 52.037 -0.235 0.000 0.623 145 A CB -0.558 18.280 19.000 -0.269 0.000 0.826 145 A HN 0.299 nan 8.150 nan 0.000 0.444 146 R N -0.584 119.834 120.500 -0.137 0.000 2.091 146 R HA -0.079 4.247 4.340 -0.025 0.000 0.238 146 R C 2.115 178.252 176.300 -0.271 0.000 1.136 146 R CA 1.501 57.528 56.100 -0.121 0.000 0.959 146 R CB -0.623 29.732 30.300 0.092 0.000 0.856 146 R HN 0.529 nan 8.270 nan 0.000 0.437 147 L N 0.084 121.129 121.223 -0.296 0.000 2.043 147 L HA -0.244 4.081 4.340 -0.025 0.000 0.212 147 L C 2.699 179.422 176.870 -0.245 0.000 1.075 147 L CA 1.488 56.167 54.840 -0.268 0.000 0.752 147 L CB -0.515 41.392 42.059 -0.253 0.000 0.891 147 L HN 0.247 nan 8.230 nan 0.000 0.432 148 S N -1.152 114.393 115.700 -0.258 0.000 2.387 148 S HA -0.169 4.286 4.470 -0.025 0.000 0.226 148 S C 2.025 176.436 174.600 -0.315 0.000 1.026 148 S CA 0.828 58.881 58.200 -0.244 0.000 0.972 148 S CB -0.035 63.016 63.200 -0.250 0.000 0.814 148 S HN 0.366 nan 8.310 nan 0.000 0.477 149 Q N 0.890 120.413 119.800 -0.463 0.000 2.061 149 Q HA -0.083 4.243 4.340 -0.025 0.000 0.204 149 Q C 2.324 177.710 176.000 -1.023 0.000 0.984 149 Q CA 1.512 56.888 55.803 -0.712 0.000 0.846 149 Q CB -0.690 27.630 28.738 -0.697 0.000 0.902 149 Q HN 0.568 nan 8.270 nan 0.000 0.421 150 L N 0.458 121.255 121.223 -0.710 0.000 2.093 150 L HA -0.177 4.149 4.340 -0.025 0.000 0.208 150 L C 2.402 179.152 176.870 -0.200 0.000 1.085 150 L CA 1.086 55.637 54.840 -0.482 0.000 0.755 150 L CB -0.337 41.585 42.059 -0.228 0.000 0.904 150 L HN 0.158 nan 8.230 nan 0.000 0.435 151 K N -0.433 119.881 120.400 -0.142 0.000 2.057 151 K HA -0.198 4.107 4.320 -0.025 0.000 0.207 151 K C 2.082 178.722 176.600 0.066 0.000 1.049 151 K CA 1.489 57.767 56.287 -0.014 0.000 0.931 151 K CB -0.326 32.167 32.500 -0.012 0.000 0.714 151 K HN 0.055 nan 8.250 nan 0.000 0.440 152 F N 0.839 120.704 119.950 -0.141 0.000 2.171 152 F HA -0.228 4.283 4.527 -0.025 0.000 0.300 152 F C 1.826 177.706 175.800 0.133 0.000 1.090 152 F CA 1.348 59.331 58.000 -0.029 0.000 1.293 152 F CB -0.115 38.847 39.000 -0.064 0.000 1.013 152 F HN -0.005 nan 8.300 nan 0.000 0.486 153 Y N 0.016 120.415 120.300 0.165 0.000 2.145 153 Y HA -0.029 4.506 4.550 -0.024 0.000 0.286 153 Y C 2.782 178.726 175.900 0.073 0.000 1.145 153 Y CA 0.684 58.845 58.100 0.103 0.000 1.148 153 Y CB -1.709 36.850 38.460 0.165 0.000 0.981 153 Y HN 0.064 nan 8.280 nan 0.000 0.507 154 G N -0.262 108.711 108.800 0.289 0.000 2.432 154 G HA2 -0.226 3.719 3.960 -0.025 0.000 0.219 154 G HA3 -0.226 3.719 3.960 -0.025 0.000 0.219 154 G C 1.771 176.811 174.900 0.234 0.000 1.135 154 G CA 0.674 45.996 45.100 0.369 0.000 0.767 154 G HN 0.323 nan 8.290 nan 0.000 0.550 155 K N -0.075 120.350 120.400 0.041 0.000 2.155 155 K HA -0.009 4.296 4.320 -0.025 0.000 0.203 155 K C 1.196 177.638 176.600 -0.265 0.000 1.052 155 K CA 0.949 57.161 56.287 -0.124 0.000 0.948 155 K CB -0.007 32.400 32.500 -0.155 0.000 0.728 155 K HN 0.270 nan 8.250 nan 0.000 0.448 156 N N 0.347 118.868 118.700 -0.299 0.000 2.238 156 N HA 0.069 4.794 4.740 -0.025 0.000 0.222 156 N C -0.996 174.284 175.510 -0.383 0.000 1.133 156 N CA -0.042 52.756 53.050 -0.419 0.000 0.854 156 N CB 0.607 38.787 38.487 -0.513 0.000 1.041 156 N HN -0.017 nan 8.380 nan 0.000 0.510 157 K N -0.107 120.080 120.400 -0.354 0.000 3.069 157 K HA -0.230 4.075 4.320 -0.025 0.000 0.267 157 K C -0.635 175.880 176.600 -0.141 0.000 1.082 157 K CA 0.611 56.549 56.287 -0.582 0.000 0.782 157 K CB -1.595 30.067 32.500 -1.397 0.000 1.230 157 K HN 0.403 nan 8.250 nan 0.000 0.488 158 M N 1.894 121.525 119.600 0.051 0.000 2.120 158 M HA 0.053 4.518 4.480 -0.025 0.000 0.354 158 M C 1.177 177.644 176.300 0.277 0.000 1.287 158 M CA -0.158 55.227 55.300 0.141 0.000 1.103 158 M CB 0.558 33.185 32.600 0.045 0.000 1.623 158 M HN 0.176 nan 8.290 nan 0.000 0.471 159 N N 0.749 119.639 118.700 0.318 0.000 2.270 159 N HA 0.053 4.778 4.740 -0.025 0.000 0.198 159 N C -0.757 174.938 175.510 0.308 0.000 1.117 159 N CA -0.129 53.139 53.050 0.362 0.000 0.845 159 N CB 0.449 39.185 38.487 0.414 0.000 0.980 159 N HN 0.359 nan 8.380 nan 0.000 0.486 160 T N 0.476 115.181 114.554 0.251 0.000 2.928 160 T HA 0.243 4.578 4.350 -0.025 0.000 0.296 160 T C -2.114 172.696 174.700 0.183 0.000 1.000 160 T CA -0.496 61.733 62.100 0.216 0.000 0.989 160 T CB 1.367 70.371 68.868 0.226 0.000 1.005 160 T HN 0.168 nan 8.240 nan 0.000 0.442 161 Y N 4.032 124.357 120.300 0.042 0.000 2.327 161 Y HA 0.635 5.171 4.550 -0.025 0.000 0.325 161 Y C -1.435 174.352 175.900 -0.188 0.000 0.999 161 Y CA -1.600 56.497 58.100 -0.006 0.000 1.195 161 Y CB 0.633 39.209 38.460 0.194 0.000 1.132 161 Y HN 0.606 nan 8.280 nan 0.000 0.455 162 I N 7.759 127.957 120.570 -0.620 0.000 2.307 162 I HA 0.159 4.314 4.170 -0.025 0.000 0.289 162 I C -1.046 174.490 176.117 -0.969 0.000 1.021 162 I CA -0.898 60.002 61.300 -0.666 0.000 1.224 162 I CB 0.736 38.524 38.000 -0.353 0.000 1.376 162 I HN 0.626 nan 8.210 nan 0.000 0.470 163 Y N 6.138 125.721 120.300 -1.195 0.000 2.504 163 Y HA 0.539 5.075 4.550 -0.023 0.000 0.351 163 Y C 0.678 176.052 175.900 -0.876 0.000 0.988 163 Y CA -0.314 57.168 58.100 -1.030 0.000 1.239 163 Y CB 0.924 38.895 38.460 -0.814 0.000 1.128 163 Y HN 0.596 nan 8.280 nan 0.000 0.525 164 G N 7.209 115.295 108.800 -1.189 0.000 5.233 164 G HA2 0.139 4.084 3.960 -0.025 0.000 0.203 164 G HA3 0.139 4.084 3.960 -0.025 0.000 0.203 164 G C -3.277 170.845 174.900 -1.296 0.000 0.734 164 G CA -0.885 43.397 45.100 -1.364 0.000 0.662 164 G HN 0.436 nan 8.290 nan 0.000 0.468 165 P HA 0.121 nan 4.420 nan 0.000 0.269 165 P C 1.072 178.009 177.300 -0.605 0.000 1.252 165 P CA -0.057 62.490 63.100 -0.923 0.000 0.780 165 P CB 1.478 32.734 31.700 -0.740 0.000 0.829 166 K N 2.204 122.285 120.400 -0.532 0.000 2.144 166 K HA -0.185 4.120 4.320 -0.025 0.000 0.209 166 K C 0.614 177.136 176.600 -0.130 0.000 1.047 166 K CA 1.571 57.649 56.287 -0.347 0.000 0.927 166 K CB -0.211 31.937 32.500 -0.586 0.000 0.716 166 K HN 0.527 nan 8.250 nan 0.000 0.454 167 D N 1.009 121.341 120.400 -0.114 0.000 2.325 167 D HA -0.038 4.587 4.640 -0.025 0.000 0.225 167 D C -0.057 176.269 176.300 0.044 0.000 1.096 167 D CA 0.148 54.152 54.000 0.006 0.000 0.844 167 D CB 0.037 40.868 40.800 0.052 0.000 0.925 167 D HN 0.119 nan 8.370 nan 0.000 0.513 168 D N 1.526 121.955 120.400 0.048 0.000 2.325 168 D HA 0.038 4.663 4.640 -0.025 0.000 0.251 168 D C -1.432 174.963 176.300 0.159 0.000 1.196 168 D CA -1.908 52.191 54.000 0.165 0.000 0.866 168 D CB 1.801 42.740 40.800 0.231 0.000 1.101 168 D HN -0.019 nan 8.370 nan 0.000 0.476 169 P HA -0.082 nan 4.420 nan 0.000 0.231 169 P C 0.568 177.691 177.300 -0.295 0.000 1.168 169 P CA 0.609 63.612 63.100 -0.160 0.000 0.779 169 P CB 0.050 31.559 31.700 -0.319 0.000 0.844 170 Y N -1.320 118.999 120.300 0.032 0.000 2.529 170 Y HA 0.023 4.559 4.550 -0.024 0.000 0.290 170 Y C 2.538 178.564 175.900 0.211 0.000 1.177 170 Y CA 0.619 58.643 58.100 -0.127 0.000 1.305 170 Y CB -0.891 37.079 38.460 -0.816 0.000 1.047 170 Y HN 0.175 nan 8.280 nan 0.000 0.522 171 H N -2.002 117.249 119.070 0.303 0.000 2.557 171 H HA 0.270 4.811 4.556 -0.026 0.000 0.281 171 H C 1.055 176.477 175.328 0.156 0.000 0.990 171 H CA 0.636 56.828 56.048 0.240 0.000 1.278 171 H CB 0.527 30.345 29.762 0.094 0.000 1.451 171 H HN 0.044 nan 8.280 nan 0.000 0.516 172 S N -0.806 114.927 115.700 0.055 0.000 2.841 172 S HA 0.736 5.192 4.470 -0.025 0.000 0.318 172 S C -0.718 174.038 174.600 0.259 0.000 1.127 172 S CA -0.434 57.812 58.200 0.078 0.000 0.883 172 S CB 0.728 64.000 63.200 0.120 0.000 1.271 172 S HN 0.558 nan 8.310 nan 0.000 0.567 173 A N 1.893 124.883 122.820 0.283 0.000 2.445 173 A HA 0.490 4.795 4.320 -0.025 0.000 0.242 173 A C -1.615 176.009 177.584 0.068 0.000 1.075 173 A CA -0.870 51.321 52.037 0.256 0.000 0.777 173 A CB -0.337 18.786 19.000 0.205 0.000 1.013 173 A HN 0.729 nan 8.150 nan 0.000 0.493 174 P HA 0.050 nan 4.420 nan 0.000 0.257 174 P C 0.105 177.193 177.300 -0.353 0.000 1.241 174 P CA 0.280 63.285 63.100 -0.158 0.000 0.816 174 P CB 0.269 31.878 31.700 -0.152 0.000 1.150 175 N N 0.492 119.042 118.700 -0.250 0.000 2.434 175 N HA -0.029 4.696 4.740 -0.025 0.000 0.196 175 N C 1.466 176.900 175.510 -0.127 0.000 1.183 175 N CA 0.091 52.971 53.050 -0.284 0.000 0.849 175 N CB -0.721 37.494 38.487 -0.452 0.000 0.992 175 N HN 0.497 nan 8.380 nan 0.000 0.460 176 W N 0.771 122.053 121.300 -0.029 0.000 2.387 176 W HA -0.080 4.567 4.660 -0.023 0.000 0.272 176 W C 0.800 177.374 176.519 0.091 0.000 1.224 176 W CA 0.050 57.431 57.345 0.059 0.000 1.210 176 W CB -0.687 28.770 29.460 -0.006 0.000 1.125 176 W HN 0.049 nan 8.180 nan 0.000 0.572 177 R N 0.598 120.796 120.500 -0.504 0.000 2.276 177 R HA 0.174 4.499 4.340 -0.025 0.000 0.203 177 R C 0.833 177.059 176.300 -0.124 0.000 1.017 177 R CA 0.384 56.198 56.100 -0.476 0.000 1.010 177 R CB -0.196 29.618 30.300 -0.810 0.000 0.900 177 R HN 0.142 nan 8.270 nan 0.000 0.469 178 L N 1.687 122.898 121.223 -0.020 0.000 2.322 178 L HA 0.389 4.714 4.340 -0.025 0.000 0.279 178 L C -2.236 174.684 176.870 0.084 0.000 1.036 178 L CA -2.639 52.235 54.840 0.057 0.000 0.807 178 L CB 1.332 43.478 42.059 0.146 0.000 1.226 178 L HN -0.256 nan 8.230 nan 0.000 0.433 179 P HA -0.029 nan 4.420 nan 0.000 0.267 179 P C -0.995 176.206 177.300 -0.164 0.000 1.200 179 P CA -0.018 63.074 63.100 -0.013 0.000 0.772 179 P CB 0.209 31.903 31.700 -0.010 0.000 0.855 180 Y N 2.453 122.605 120.300 -0.247 0.000 2.712 180 Y HA 0.042 4.577 4.550 -0.025 0.000 0.333 180 Y C -1.222 174.423 175.900 -0.425 0.000 1.225 180 Y CA -0.930 56.870 58.100 -0.499 0.000 1.499 180 Y CB -0.961 37.325 38.460 -0.291 0.000 1.288 180 Y HN 0.385 nan 8.280 nan 0.000 0.575 181 P HA -0.051 nan 4.420 nan 0.000 0.268 181 P C 0.175 177.426 177.300 -0.083 0.000 1.208 181 P CA -0.011 62.983 63.100 -0.177 0.000 0.777 181 P CB 0.766 32.380 31.700 -0.144 0.000 0.875 182 D N 1.034 121.399 120.400 -0.058 0.000 2.157 182 D HA -0.217 4.408 4.640 -0.025 0.000 0.191 182 D C 1.625 177.892 176.300 -0.056 0.000 1.004 182 D CA 1.755 55.724 54.000 -0.051 0.000 0.854 182 D CB -0.208 40.569 40.800 -0.038 0.000 0.936 182 D HN 0.320 nan 8.370 nan 0.000 0.446 183 K N 0.551 120.925 120.400 -0.043 0.000 2.002 183 K HA -0.111 4.194 4.320 -0.025 0.000 0.209 183 K C 2.067 178.629 176.600 -0.064 0.000 1.048 183 K CA 1.160 57.420 56.287 -0.046 0.000 0.930 183 K CB -0.268 32.220 32.500 -0.021 0.000 0.714 183 K HN 0.007 nan 8.250 nan 0.000 0.438 184 E N -0.338 119.843 120.200 -0.032 0.000 2.118 184 E HA -0.141 4.195 4.350 -0.025 0.000 0.195 184 E C 1.791 178.297 176.600 -0.155 0.000 0.992 184 E CA 1.400 57.782 56.400 -0.029 0.000 0.804 184 E CB -0.225 29.555 29.700 0.132 0.000 0.741 184 E HN 0.389 nan 8.360 nan 0.000 0.458 185 A N 0.831 123.567 122.820 -0.141 0.000 1.898 185 A HA -0.069 4.237 4.320 -0.025 0.000 0.216 185 A C 2.359 179.815 177.584 -0.213 0.000 1.181 185 A CA 1.663 53.570 52.037 -0.217 0.000 0.620 185 A CB -0.786 18.138 19.000 -0.127 0.000 0.819 185 A HN 0.295 nan 8.150 nan 0.000 0.442 186 A N -0.762 121.966 122.820 -0.153 0.000 1.972 186 A HA -0.210 4.096 4.320 -0.025 0.000 0.219 186 A C 2.110 179.595 177.584 -0.165 0.000 1.169 186 A CA 1.664 53.616 52.037 -0.142 0.000 0.635 186 A CB -0.475 18.462 19.000 -0.106 0.000 0.810 186 A HN 0.679 nan 8.150 nan 0.000 0.446 187 Q N -0.683 119.000 119.800 -0.197 0.000 2.049 187 Q HA -0.013 4.313 4.340 -0.025 0.000 0.198 187 Q C 2.096 178.028 176.000 -0.114 0.000 0.971 187 Q CA 1.175 56.843 55.803 -0.226 0.000 0.833 187 Q CB -0.255 28.307 28.738 -0.293 0.000 0.896 187 Q HN 0.665 nan 8.270 nan 0.000 0.434 188 L N 0.672 121.744 121.223 -0.251 0.000 2.042 188 L HA -0.273 4.052 4.340 -0.025 0.000 0.210 188 L C 2.688 179.306 176.870 -0.421 0.000 1.076 188 L CA 1.409 56.011 54.840 -0.396 0.000 0.749 188 L CB -0.383 41.285 42.059 -0.653 0.000 0.893 188 L HN 0.350 nan 8.230 nan 0.000 0.432 189 Q N -0.084 119.517 119.800 -0.331 0.000 2.096 189 Q HA -0.302 4.024 4.340 -0.025 0.000 0.204 189 Q C 2.138 178.015 176.000 -0.205 0.000 0.982 189 Q CA 2.091 57.727 55.803 -0.278 0.000 0.850 189 Q CB -0.026 28.590 28.738 -0.204 0.000 0.901 189 Q HN 0.478 nan 8.270 nan 0.000 0.422 190 E N -0.089 120.038 120.200 -0.121 0.000 2.072 190 E HA -0.189 4.146 4.350 -0.025 0.000 0.191 190 E C 2.084 178.655 176.600 -0.050 0.000 0.985 190 E CA 0.860 57.234 56.400 -0.043 0.000 0.801 190 E CB -0.078 29.657 29.700 0.058 0.000 0.750 190 E HN 0.412 nan 8.360 nan 0.000 0.452 191 L N 0.388 121.584 121.223 -0.046 0.000 2.012 191 L HA -0.218 4.107 4.340 -0.025 0.000 0.210 191 L C 2.592 179.383 176.870 -0.131 0.000 1.073 191 L CA 1.041 55.854 54.840 -0.044 0.000 0.748 191 L CB -0.591 41.514 42.059 0.076 0.000 0.891 191 L HN 0.124 nan 8.230 nan 0.000 0.431 192 V N 0.254 119.934 119.914 -0.389 0.000 2.255 192 V HA -0.338 3.767 4.120 -0.025 0.000 0.247 192 V C 2.815 178.813 176.094 -0.160 0.000 1.051 192 V CA 1.947 64.026 62.300 -0.369 0.000 1.018 192 V CB -1.073 30.444 31.823 -0.511 0.000 0.641 192 V HN 0.512 nan 8.190 nan 0.000 0.445 193 A N -0.421 122.312 122.820 -0.146 0.000 1.948 193 A HA -0.189 4.116 4.320 -0.025 0.000 0.220 193 A C 2.373 179.906 177.584 -0.085 0.000 1.177 193 A CA 2.318 54.297 52.037 -0.097 0.000 0.636 193 A CB -0.693 18.259 19.000 -0.080 0.000 0.815 193 A HN 0.367 nan 8.150 nan 0.000 0.449 194 V N -0.566 119.304 119.914 -0.073 0.000 2.488 194 V HA -0.131 3.975 4.120 -0.025 0.000 0.246 194 V C 2.994 179.049 176.094 -0.066 0.000 1.046 194 V CA 1.513 63.770 62.300 -0.072 0.000 1.053 194 V CB -1.012 30.770 31.823 -0.068 0.000 0.679 194 V HN 0.625 nan 8.190 nan 0.000 0.458 195 A N 0.652 123.471 122.820 -0.002 0.000 1.883 195 A HA -0.265 4.041 4.320 -0.025 0.000 0.217 195 A C 2.085 179.650 177.584 -0.031 0.000 1.186 195 A CA 2.241 54.317 52.037 0.065 0.000 0.624 195 A CB -0.723 18.426 19.000 0.248 0.000 0.822 195 A HN 0.570 nan 8.150 nan 0.000 0.444 196 N N -0.045 118.613 118.700 -0.070 0.000 2.069 196 N HA -0.169 4.557 4.740 -0.025 0.000 0.191 196 N C 1.615 176.885 175.510 -0.401 0.000 1.031 196 N CA 1.730 54.700 53.050 -0.133 0.000 0.852 196 N CB -0.559 37.885 38.487 -0.072 0.000 1.018 196 N HN 0.670 nan 8.380 nan 0.000 0.423 197 E N 0.145 120.076 120.200 -0.448 0.000 2.209 197 E HA -0.056 4.279 4.350 -0.025 0.000 0.196 197 E C 0.472 176.654 176.600 -0.696 0.000 0.993 197 E CA 0.702 56.658 56.400 -0.739 0.000 0.819 197 E CB 0.013 29.534 29.700 -0.298 0.000 0.745 197 E HN 0.361 nan 8.360 nan 0.000 0.477 198 N N 0.513 118.962 118.700 -0.418 0.000 2.238 198 N HA -0.013 4.712 4.740 -0.025 0.000 0.222 198 N C -0.701 174.586 175.510 -0.371 0.000 1.133 198 N CA 0.176 53.053 53.050 -0.289 0.000 0.854 198 N CB 0.930 39.402 38.487 -0.024 0.000 1.041 198 N HN 0.005 nan 8.380 nan 0.000 0.510 199 E N 0.065 119.974 120.200 -0.484 0.000 2.389 199 E HA -0.147 4.188 4.350 -0.025 0.000 0.243 199 E C -0.757 175.848 176.600 0.009 0.000 1.154 199 E CA 0.436 56.663 56.400 -0.287 0.000 0.723 199 E CB -1.737 27.662 29.700 -0.501 0.000 1.261 199 E HN 0.081 nan 8.360 nan 0.000 0.390 200 V N 1.116 121.071 119.914 0.068 0.000 2.459 200 V HA 0.211 4.317 4.120 -0.025 0.000 0.295 200 V C 0.392 176.610 176.094 0.206 0.000 1.029 200 V CA -0.794 61.631 62.300 0.209 0.000 0.874 200 V CB 1.985 33.984 31.823 0.294 0.000 0.985 200 V HN -0.022 nan 8.190 nan 0.000 0.438 201 D N 3.786 124.322 120.400 0.227 0.000 2.338 201 D HA 0.159 4.784 4.640 -0.025 0.000 0.255 201 D C -0.309 176.133 176.300 0.238 0.000 1.237 201 D CA 0.087 54.211 54.000 0.206 0.000 0.883 201 D CB 0.863 41.772 40.800 0.182 0.000 1.087 201 D HN 0.428 nan 8.370 nan 0.000 0.485 202 F N 3.167 123.183 119.950 0.109 0.000 2.494 202 F HA 0.105 4.618 4.527 -0.023 0.000 0.369 202 F C -0.157 175.624 175.800 -0.031 0.000 1.098 202 F CA -0.396 57.672 58.000 0.114 0.000 1.154 202 F CB 0.457 39.504 39.000 0.078 0.000 1.103 202 F HN 0.009 nan 8.300 nan 0.000 0.549 203 V N 7.528 127.280 119.914 -0.270 0.000 2.318 203 V HA 0.014 4.120 4.120 -0.025 0.000 0.271 203 V C -0.603 175.284 176.094 -0.344 0.000 1.030 203 V CA -0.782 61.373 62.300 -0.242 0.000 0.844 203 V CB 0.382 32.074 31.823 -0.219 0.000 1.015 203 V HN 0.774 nan 8.190 nan 0.000 0.460 204 W N 5.609 126.689 121.300 -0.367 0.000 2.358 204 W HA 0.628 5.276 4.660 -0.021 0.000 0.307 204 W C 0.305 176.702 176.519 -0.205 0.000 1.203 204 W CA -0.275 56.938 57.345 -0.220 0.000 1.279 204 W CB 0.770 30.164 29.460 -0.111 0.000 1.264 204 W HN 0.652 nan 8.180 nan 0.000 0.474 205 A N 7.417 129.681 122.820 -0.926 0.000 2.303 205 A HA 0.740 5.046 4.320 -0.025 0.000 0.317 205 A C -1.347 175.523 177.584 -1.190 0.000 1.149 205 A CA -0.765 50.665 52.037 -1.011 0.000 0.822 205 A CB 0.981 19.071 19.000 -1.517 0.000 1.131 205 A HN 0.756 nan 8.150 nan 0.000 0.493 206 I N 0.623 120.716 120.570 -0.795 0.000 2.785 206 I HA 0.395 4.551 4.170 -0.025 0.000 0.302 206 I C -0.836 174.869 176.117 -0.688 0.000 1.069 206 I CA -0.540 60.343 61.300 -0.694 0.000 1.045 206 I CB 1.871 39.788 38.000 -0.138 0.000 1.236 206 I HN 0.826 nan 8.210 nan 0.000 0.429 207 H N 7.756 126.266 119.070 -0.934 0.000 2.448 207 H HA 0.399 4.939 4.556 -0.026 0.000 0.237 207 H C -2.455 172.476 175.328 -0.661 0.000 1.391 207 H CA -1.624 53.990 56.048 -0.723 0.000 1.477 207 H CB 1.390 30.737 29.762 -0.692 0.000 1.520 207 H HN 0.388 nan 8.280 nan 0.000 0.502 208 P HA 0.141 nan 4.420 nan 0.000 0.267 208 P C 1.374 178.271 177.300 -0.671 0.000 1.289 208 P CA 0.409 62.684 63.100 -1.374 0.000 0.866 208 P CB 0.455 30.961 31.700 -1.990 0.000 1.309 209 G N 0.768 109.259 108.800 -0.514 0.000 2.484 209 G HA2 -0.220 3.725 3.960 -0.025 0.000 0.218 209 G HA3 -0.220 3.725 3.960 -0.025 0.000 0.218 209 G C 1.623 176.458 174.900 -0.109 0.000 1.130 209 G CA 0.358 45.375 45.100 -0.139 0.000 0.784 209 G HN 0.223 nan 8.290 nan 0.000 0.543 210 Q N 1.456 121.181 119.800 -0.124 0.000 2.170 210 Q HA -0.089 4.236 4.340 -0.025 0.000 0.203 210 Q C 1.359 177.363 176.000 0.007 0.000 0.976 210 Q CA 1.887 57.685 55.803 -0.009 0.000 0.858 210 Q CB -0.001 28.769 28.738 0.053 0.000 0.907 210 Q HN 0.588 nan 8.270 nan 0.000 0.433 211 D N -1.990 118.430 120.400 0.033 0.000 2.582 211 D HA 0.064 4.690 4.640 -0.025 0.000 0.246 211 D C 0.042 176.355 176.300 0.020 0.000 1.334 211 D CA -0.410 53.614 54.000 0.040 0.000 0.805 211 D CB -0.727 40.119 40.800 0.076 0.000 1.087 211 D HN 0.321 nan 8.370 nan 0.000 0.499 212 I N 0.803 121.317 120.570 -0.093 0.000 2.752 212 I HA 0.043 4.198 4.170 -0.025 0.000 0.287 212 I C -0.323 175.548 176.117 -0.410 0.000 1.188 212 I CA 0.101 61.257 61.300 -0.239 0.000 1.427 212 I CB 0.448 38.087 38.000 -0.601 0.000 1.365 212 I HN -0.254 nan 8.210 nan 0.000 0.585 213 K N 6.444 126.673 120.400 -0.285 0.000 2.206 213 K HA 0.250 4.555 4.320 -0.025 0.000 0.264 213 K C -1.434 175.011 176.600 -0.257 0.000 0.967 213 K CA -0.027 56.112 56.287 -0.246 0.000 0.844 213 K CB 0.860 33.312 32.500 -0.080 0.000 1.099 213 K HN 0.436 nan 8.250 nan 0.000 0.441 214 W N 4.798 126.101 121.300 0.005 0.000 1.606 214 W HA 0.109 4.753 4.660 -0.027 0.000 0.455 214 W C 0.233 176.733 176.519 -0.031 0.000 0.711 214 W CA -0.522 56.808 57.345 -0.024 0.000 1.876 214 W CB -0.278 29.159 29.460 -0.039 0.000 1.776 214 W HN 0.561 nan 8.180 nan 0.000 0.229 215 N N -0.490 118.281 118.700 0.118 0.000 2.902 215 N HA 0.250 4.975 4.740 -0.025 0.000 0.268 215 N C 0.659 176.182 175.510 0.020 0.000 1.450 215 N CA -1.099 51.987 53.050 0.060 0.000 0.819 215 N CB 0.918 39.425 38.487 0.033 0.000 1.540 215 N HN 0.056 nan 8.380 nan 0.000 0.545 216 K N 0.005 120.403 120.400 -0.004 0.000 2.026 216 K HA -0.166 4.139 4.320 -0.025 0.000 0.208 216 K C 1.352 177.945 176.600 -0.011 0.000 1.048 216 K CA 1.535 57.806 56.287 -0.027 0.000 0.929 216 K CB -0.145 32.346 32.500 -0.016 0.000 0.713 216 K HN 0.669 nan 8.250 nan 0.000 0.439 217 E N 0.354 120.552 120.200 -0.003 0.000 2.065 217 E HA -0.254 4.082 4.350 -0.025 0.000 0.201 217 E C 1.448 178.055 176.600 0.011 0.000 1.016 217 E CA 2.056 58.454 56.400 -0.003 0.000 0.818 217 E CB -0.041 29.651 29.700 -0.014 0.000 0.749 217 E HN 0.339 nan 8.360 nan 0.000 0.453 218 D N -0.628 119.791 120.400 0.032 0.000 2.183 218 D HA -0.103 4.522 4.640 -0.025 0.000 0.203 218 D C 1.940 178.323 176.300 0.138 0.000 0.969 218 D CA 0.573 54.645 54.000 0.121 0.000 0.842 218 D CB -0.184 40.706 40.800 0.151 0.000 0.957 218 D HN 0.127 nan 8.370 nan 0.000 0.484 219 R N 0.649 121.172 120.500 0.039 0.000 2.075 219 R HA -0.123 4.202 4.340 -0.025 0.000 0.232 219 R C 1.134 177.437 176.300 0.005 0.000 1.126 219 R CA 1.364 57.450 56.100 -0.024 0.000 0.963 219 R CB 0.084 30.286 30.300 -0.163 0.000 0.858 219 R HN 0.018 nan 8.270 nan 0.000 0.435 220 D N 0.814 121.225 120.400 0.018 0.000 2.097 220 D HA -0.164 4.461 4.640 -0.025 0.000 0.195 220 D C 2.027 178.356 176.300 0.048 0.000 0.989 220 D CA 1.078 55.105 54.000 0.045 0.000 0.827 220 D CB -0.259 40.562 40.800 0.035 0.000 0.966 220 D HN 0.261 nan 8.370 nan 0.000 0.456 221 L N 0.308 121.566 121.223 0.058 0.000 2.079 221 L HA -0.153 4.172 4.340 -0.025 0.000 0.210 221 L C 2.542 179.504 176.870 0.154 0.000 1.081 221 L CA 0.587 55.469 54.840 0.070 0.000 0.752 221 L CB -0.316 41.740 42.059 -0.006 0.000 0.896 221 L HN 0.064 nan 8.230 nan 0.000 0.433 222 L N -0.835 120.506 121.223 0.196 0.000 2.027 222 L HA -0.216 4.109 4.340 -0.025 0.000 0.206 222 L C 2.437 179.197 176.870 -0.183 0.000 1.074 222 L CA 1.113 55.987 54.840 0.057 0.000 0.745 222 L CB -0.106 41.864 42.059 -0.148 0.000 0.898 222 L HN 0.158 nan 8.230 nan 0.000 0.433 223 L N -0.200 120.938 121.223 -0.142 0.000 2.083 223 L HA -0.174 4.151 4.340 -0.025 0.000 0.209 223 L C 2.834 179.647 176.870 -0.095 0.000 1.083 223 L CA 1.876 56.602 54.840 -0.190 0.000 0.752 223 L CB -1.740 40.295 42.059 -0.040 0.000 0.899 223 L HN 0.407 nan 8.230 nan 0.000 0.433 224 A N 0.029 122.849 122.820 -0.001 0.000 1.902 224 A HA -0.263 4.042 4.320 -0.025 0.000 0.217 224 A C 2.367 179.994 177.584 0.072 0.000 1.181 224 A CA 2.006 54.066 52.037 0.037 0.000 0.623 224 A CB -0.371 18.654 19.000 0.041 0.000 0.818 224 A HN 0.304 nan 8.150 nan 0.000 0.443 225 K N -0.909 119.558 120.400 0.112 0.000 2.026 225 K HA -0.094 4.211 4.320 -0.025 0.000 0.208 225 K C 1.535 178.290 176.600 0.259 0.000 1.048 225 K CA 1.547 57.948 56.287 0.191 0.000 0.929 225 K CB -0.598 32.094 32.500 0.321 0.000 0.713 225 K HN 0.274 nan 8.250 nan 0.000 0.439 226 F N 1.564 121.480 119.950 -0.058 0.000 2.161 226 F HA -0.094 4.417 4.527 -0.026 0.000 0.300 226 F C 2.317 178.049 175.800 -0.114 0.000 1.089 226 F CA 1.582 59.455 58.000 -0.211 0.000 1.282 226 F CB -1.005 37.429 39.000 -0.944 0.000 1.010 226 F HN 0.268 nan 8.300 nan 0.000 0.485 227 E N 0.590 120.831 120.200 0.068 0.000 2.077 227 E HA -0.181 4.154 4.350 -0.025 0.000 0.193 227 E C 2.114 178.866 176.600 0.254 0.000 0.989 227 E CA 1.437 57.978 56.400 0.236 0.000 0.800 227 E CB -0.101 29.690 29.700 0.152 0.000 0.746 227 E HN 0.017 nan 8.360 nan 0.000 0.452 228 K N -0.169 120.324 120.400 0.155 0.000 2.032 228 K HA -0.121 4.184 4.320 -0.025 0.000 0.209 228 K C 2.002 178.646 176.600 0.073 0.000 1.048 228 K CA 1.446 57.791 56.287 0.097 0.000 0.927 228 K CB -0.378 32.152 32.500 0.050 0.000 0.712 228 K HN 0.306 nan 8.250 nan 0.000 0.441 229 M N -0.339 119.297 119.600 0.060 0.000 2.149 229 M HA -0.166 4.299 4.480 -0.025 0.000 0.261 229 M C 2.194 178.583 176.300 0.148 0.000 1.064 229 M CA 1.342 56.615 55.300 -0.044 0.000 1.102 229 M CB -1.260 31.252 32.600 -0.147 0.000 1.369 229 M HN 0.112 nan 8.290 nan 0.000 0.408 230 Y N 1.677 122.157 120.300 0.301 0.000 2.145 230 Y HA -0.272 4.263 4.550 -0.025 0.000 0.286 230 Y C 2.441 178.411 175.900 0.117 0.000 1.145 230 Y CA 2.017 60.304 58.100 0.311 0.000 1.148 230 Y CB -0.320 38.380 38.460 0.400 0.000 0.981 230 Y HN 0.343 nan 8.280 nan 0.000 0.507 231 Q N -0.120 119.822 119.800 0.237 0.000 2.248 231 Q HA -0.196 4.129 4.340 -0.025 0.000 0.208 231 Q C 1.864 177.836 176.000 -0.047 0.000 0.984 231 Q CA 1.715 57.572 55.803 0.090 0.000 0.875 231 Q CB -0.276 28.523 28.738 0.100 0.000 0.910 231 Q HN 0.529 nan 8.270 nan 0.000 0.433 232 L N -1.057 120.108 121.223 -0.097 0.000 2.599 232 L HA 0.129 4.455 4.340 -0.025 0.000 0.230 232 L C 1.156 177.883 176.870 -0.239 0.000 1.141 232 L CA 0.459 55.189 54.840 -0.184 0.000 0.877 232 L CB 0.020 41.927 42.059 -0.254 0.000 1.009 232 L HN 0.439 nan 8.230 nan 0.000 0.447 233 G N -0.648 108.002 108.800 -0.249 0.000 2.184 233 G HA2 -0.226 3.719 3.960 -0.025 0.000 0.206 233 G HA3 -0.226 3.719 3.960 -0.025 0.000 0.206 233 G C 0.246 174.971 174.900 -0.291 0.000 0.995 233 G CA -0.171 44.759 45.100 -0.284 0.000 0.651 233 G HN 0.043 nan 8.290 nan 0.000 0.511 234 V N 1.392 121.148 119.914 -0.263 0.000 2.655 234 V HA 0.469 4.574 4.120 -0.025 0.000 0.300 234 V C 1.356 177.392 176.094 -0.096 0.000 1.044 234 V CA 0.297 62.458 62.300 -0.232 0.000 1.095 234 V CB 1.435 33.050 31.823 -0.347 0.000 0.952 234 V HN 0.306 nan 8.190 nan 0.000 0.485 235 R N 1.482 121.946 120.500 -0.060 0.000 2.541 235 R HA 0.325 4.650 4.340 -0.025 0.000 0.332 235 R C -0.036 176.373 176.300 0.182 0.000 0.951 235 R CA -0.019 56.161 56.100 0.133 0.000 1.136 235 R CB 1.024 31.359 30.300 0.059 0.000 1.449 235 R HN 0.641 nan 8.270 nan 0.000 0.531 236 S N 0.064 115.741 115.700 -0.039 0.000 2.570 236 S HA 0.762 5.217 4.470 -0.025 0.000 0.286 236 S C -1.193 173.202 174.600 -0.342 0.000 1.099 236 S CA -0.365 57.844 58.200 0.015 0.000 0.913 236 S CB 1.852 65.063 63.200 0.018 0.000 1.085 236 S HN 0.021 nan 8.310 nan 0.000 0.480 237 F N 0.584 120.547 119.950 0.022 0.000 2.619 237 F HA 0.762 5.274 4.527 -0.025 0.000 0.308 237 F C -0.016 175.764 175.800 -0.034 0.000 1.097 237 F CA -0.681 57.270 58.000 -0.082 0.000 0.953 237 F CB 1.902 40.724 39.000 -0.296 0.000 1.287 237 F HN 0.700 nan 8.300 nan 0.000 0.446 238 A N 1.180 124.057 122.820 0.095 0.000 2.539 238 A HA 0.895 5.200 4.320 -0.025 0.000 0.296 238 A C -1.972 175.660 177.584 0.080 0.000 1.073 238 A CA -0.789 51.293 52.037 0.075 0.000 0.700 238 A CB 1.754 20.730 19.000 -0.040 0.000 1.296 238 A HN 0.521 nan 8.150 nan 0.000 0.405 239 V N 1.872 121.874 119.914 0.147 0.000 2.407 239 V HA 0.508 4.614 4.120 -0.025 0.000 0.291 239 V C -1.324 174.768 176.094 -0.004 0.000 1.018 239 V CA -0.443 61.832 62.300 -0.042 0.000 0.842 239 V CB 0.970 32.759 31.823 -0.057 0.000 0.996 239 V HN 0.669 nan 8.190 nan 0.000 0.426 240 F N 4.492 124.182 119.950 -0.435 0.000 2.415 240 F HA 0.606 5.121 4.527 -0.019 0.000 0.348 240 F C 0.216 175.692 175.800 -0.540 0.000 1.119 240 F CA -1.613 56.242 58.000 -0.242 0.000 1.069 240 F CB 1.448 40.465 39.000 0.029 0.000 1.124 240 F HN 0.411 nan 8.300 nan 0.000 0.472 241 F N 1.960 122.022 119.950 0.187 0.000 2.791 241 F HA 0.189 4.700 4.527 -0.027 0.000 0.308 241 F C 0.550 176.434 175.800 0.140 0.000 1.138 241 F CA -0.854 57.201 58.000 0.092 0.000 1.294 241 F CB -0.277 38.812 39.000 0.148 0.000 0.975 241 F HN 0.253 nan 8.300 nan 0.000 0.512 242 N N -0.127 118.731 118.700 0.264 0.000 2.514 242 N HA 0.092 4.817 4.740 -0.025 0.000 0.277 242 N C -0.265 175.440 175.510 0.325 0.000 1.126 242 N CA -0.070 53.103 53.050 0.205 0.000 0.978 242 N CB 0.856 39.146 38.487 -0.328 0.000 1.106 242 N HN 0.079 nan 8.380 nan 0.000 0.461 243 D N -0.597 120.031 120.400 0.379 0.000 2.746 243 D HA -0.141 4.484 4.640 -0.025 0.000 0.236 243 D C -0.264 176.187 176.300 0.252 0.000 1.129 243 D CA 0.749 54.941 54.000 0.321 0.000 0.691 243 D CB -1.432 39.572 40.800 0.341 0.000 1.077 243 D HN 0.752 nan 8.370 nan 0.000 0.432 244 I N -3.432 117.255 120.570 0.196 0.000 3.067 244 I HA 0.778 4.933 4.170 -0.025 0.000 0.312 244 I C 0.194 176.355 176.117 0.072 0.000 1.073 244 I CA -0.862 60.520 61.300 0.138 0.000 1.016 244 I CB 2.484 40.551 38.000 0.111 0.000 1.227 244 I HN -0.021 nan 8.210 nan 0.000 0.456 245 S N 1.283 117.013 115.700 0.050 0.000 2.632 245 S HA 0.996 5.452 4.470 -0.025 0.000 0.289 245 S C -0.062 174.557 174.600 0.031 0.000 1.115 245 S CA -0.171 58.041 58.200 0.020 0.000 0.889 245 S CB 1.366 64.563 63.200 -0.004 0.000 1.116 245 S HN 2.110 nan 8.310 nan 0.000 0.486 246 G N 1.276 110.093 108.800 0.028 0.000 2.582 246 G HA2 -0.111 3.834 3.960 -0.025 0.000 0.222 246 G HA3 -0.111 3.834 3.960 -0.025 0.000 0.222 246 G C 0.123 175.068 174.900 0.075 0.000 1.311 246 G CA 0.311 45.434 45.100 0.038 0.000 0.915 246 G HN 0.878 nan 8.290 nan 0.000 0.528 247 E N 0.498 120.752 120.200 0.090 0.000 2.338 247 E HA 0.059 4.394 4.350 -0.025 0.000 0.197 247 E C 2.532 179.339 176.600 0.345 0.000 1.007 247 E CA 2.154 58.668 56.400 0.190 0.000 0.849 247 E CB -0.878 28.924 29.700 0.170 0.000 0.774 247 E HN 1.075 nan 8.360 nan 0.000 0.506 248 G N -0.434 108.468 108.800 0.171 0.000 2.625 248 G HA2 -0.214 3.731 3.960 -0.025 0.000 0.214 248 G HA3 -0.214 3.731 3.960 -0.025 0.000 0.214 248 G C 1.459 176.540 174.900 0.302 0.000 1.132 248 G CA 1.279 46.508 45.100 0.215 0.000 0.782 248 G HN 0.440 nan 8.290 nan 0.000 0.538 249 T N -1.969 112.716 114.554 0.218 0.000 3.100 249 T HA 0.071 4.406 4.350 -0.025 0.000 0.253 249 T C 1.097 175.895 174.700 0.162 0.000 1.118 249 T CA -0.311 61.887 62.100 0.163 0.000 1.058 249 T CB -0.104 68.825 68.868 0.103 0.000 0.953 249 T HN 0.146 nan 8.240 nan 0.000 0.515 250 N N 3.623 122.394 118.700 0.117 0.000 2.417 250 N HA 0.037 4.762 4.740 -0.025 0.000 0.272 250 N C -1.434 173.934 175.510 -0.238 0.000 1.304 250 N CA -1.395 51.621 53.050 -0.056 0.000 0.906 250 N CB 1.501 39.897 38.487 -0.152 0.000 1.135 250 N HN 0.156 nan 8.380 nan 0.000 0.483 251 P HA -0.138 nan 4.420 nan 0.000 0.219 251 P C 1.063 178.107 177.300 -0.426 0.000 1.150 251 P CA 1.078 63.903 63.100 -0.459 0.000 0.814 251 P CB 0.460 31.758 31.700 -0.671 0.000 0.787 252 Q N 0.584 120.165 119.800 -0.364 0.000 2.046 252 Q HA -0.130 4.195 4.340 -0.025 0.000 0.200 252 Q C 2.224 177.956 176.000 -0.446 0.000 0.975 252 Q CA 1.710 57.312 55.803 -0.335 0.000 0.836 252 Q CB -0.516 28.062 28.738 -0.266 0.000 0.896 252 Q HN -0.080 nan 8.270 nan 0.000 0.428 253 K N 0.377 120.368 120.400 -0.683 0.000 2.063 253 K HA -0.187 4.118 4.320 -0.025 0.000 0.208 253 K C 2.126 178.126 176.600 -1.001 0.000 1.048 253 K CA 1.802 57.405 56.287 -1.140 0.000 0.928 253 K CB -0.310 30.840 32.500 -2.251 0.000 0.713 253 K HN 0.493 nan 8.250 nan 0.000 0.442 254 Q N 0.034 119.358 119.800 -0.792 0.000 2.050 254 Q HA -0.091 4.235 4.340 -0.025 0.000 0.202 254 Q C 2.198 178.070 176.000 -0.213 0.000 0.980 254 Q CA 1.604 57.103 55.803 -0.508 0.000 0.840 254 Q CB -0.271 28.047 28.738 -0.700 0.000 0.898 254 Q HN 0.349 nan 8.270 nan 0.000 0.424 255 A N 1.333 124.012 122.820 -0.234 0.000 1.902 255 A HA -0.236 4.070 4.320 -0.025 0.000 0.217 255 A C 1.864 179.407 177.584 -0.068 0.000 1.181 255 A CA 1.528 53.496 52.037 -0.116 0.000 0.623 255 A CB -0.442 18.471 19.000 -0.144 0.000 0.818 255 A HN 0.336 nan 8.150 nan 0.000 0.443 256 E N -0.801 119.321 120.200 -0.130 0.000 2.085 256 E HA -0.206 4.130 4.350 -0.025 0.000 0.194 256 E C 1.947 178.562 176.600 0.026 0.000 0.994 256 E CA 1.268 57.626 56.400 -0.069 0.000 0.801 256 E CB -0.260 29.357 29.700 -0.140 0.000 0.743 256 E HN 0.516 nan 8.360 nan 0.000 0.453 257 L N 0.933 122.170 121.223 0.022 0.000 1.994 257 L HA -0.184 4.141 4.340 -0.025 0.000 0.208 257 L C 2.051 179.041 176.870 0.200 0.000 1.071 257 L CA 1.549 56.478 54.840 0.148 0.000 0.745 257 L CB -0.447 41.777 42.059 0.274 0.000 0.892 257 L HN 0.143 nan 8.230 nan 0.000 0.431 258 L N -0.012 121.321 121.223 0.183 0.000 2.042 258 L HA -0.218 4.108 4.340 -0.025 0.000 0.210 258 L C 2.381 179.351 176.870 0.168 0.000 1.076 258 L CA 1.603 56.560 54.840 0.195 0.000 0.749 258 L CB -1.712 40.464 42.059 0.196 0.000 0.893 258 L HN 0.430 nan 8.230 nan 0.000 0.432 259 N N -0.761 118.017 118.700 0.131 0.000 2.166 259 N HA -0.241 4.484 4.740 -0.025 0.000 0.186 259 N C 1.782 177.373 175.510 0.135 0.000 1.019 259 N CA 1.066 54.183 53.050 0.111 0.000 0.856 259 N CB -0.498 38.033 38.487 0.073 0.000 0.993 259 N HN 0.360 nan 8.380 nan 0.000 0.426 260 Y N 1.317 121.644 120.300 0.046 0.000 2.200 260 Y HA -0.037 4.498 4.550 -0.025 0.000 0.290 260 Y C 2.145 178.084 175.900 0.065 0.000 1.137 260 Y CA 1.231 59.358 58.100 0.044 0.000 1.163 260 Y CB -0.307 38.173 38.460 0.033 0.000 0.988 260 Y HN -0.045 nan 8.280 nan 0.000 0.518 261 I N 0.171 120.861 120.570 0.200 0.000 2.163 261 I HA -0.322 3.834 4.170 -0.025 0.000 0.243 261 I C 2.212 178.421 176.117 0.154 0.000 1.085 261 I CA 1.926 63.315 61.300 0.148 0.000 1.347 261 I CB -0.472 37.642 38.000 0.191 0.000 1.044 261 I HN 0.260 nan 8.210 nan 0.000 0.408 262 D N 0.773 121.256 120.400 0.138 0.000 2.092 262 D HA -0.285 4.340 4.640 -0.025 0.000 0.193 262 D C 2.123 178.443 176.300 0.034 0.000 0.994 262 D CA 1.734 55.800 54.000 0.109 0.000 0.828 262 D CB -0.079 40.781 40.800 0.101 0.000 0.963 262 D HN 0.367 nan 8.370 nan 0.000 0.450 263 E N -0.180 120.007 120.200 -0.022 0.000 2.051 263 E HA -0.198 4.137 4.350 -0.025 0.000 0.192 263 E C 1.522 178.043 176.600 -0.131 0.000 0.991 263 E CA 1.030 57.383 56.400 -0.078 0.000 0.799 263 E CB 0.063 29.705 29.700 -0.097 0.000 0.748 263 E HN 0.186 nan 8.360 nan 0.000 0.449 264 K N -1.392 118.867 120.400 -0.235 0.000 2.404 264 K HA 0.051 4.357 4.320 -0.025 0.000 0.194 264 K C 0.760 177.358 176.600 -0.004 0.000 1.023 264 K CA 0.045 56.205 56.287 -0.212 0.000 1.094 264 K CB 0.429 32.642 32.500 -0.479 0.000 0.841 264 K HN 0.156 nan 8.250 nan 0.000 0.523 265 F N -0.419 119.443 119.950 -0.147 0.000 1.901 265 F HA 0.220 4.732 4.527 -0.025 0.000 0.239 265 F C 1.716 177.465 175.800 -0.085 0.000 1.133 265 F CA 0.340 58.269 58.000 -0.117 0.000 1.271 265 F CB -0.365 38.586 39.000 -0.082 0.000 1.652 265 F HN -0.185 nan 8.300 nan 0.000 0.543 266 A N 0.124 122.949 122.820 0.009 0.000 2.019 266 A HA -0.106 4.199 4.320 -0.025 0.000 0.219 266 A C 1.683 179.226 177.584 -0.069 0.000 1.164 266 A CA 1.580 53.580 52.037 -0.063 0.000 0.644 266 A CB -0.520 18.548 19.000 0.113 0.000 0.805 266 A HN 0.539 nan 8.150 nan 0.000 0.449 267 Q N -0.871 118.901 119.800 -0.047 0.000 2.425 267 Q HA 0.131 4.456 4.340 -0.025 0.000 0.204 267 Q C 1.827 177.783 176.000 -0.074 0.000 0.933 267 Q CA 0.663 56.441 55.803 -0.042 0.000 0.939 267 Q CB 0.085 28.811 28.738 -0.020 0.000 1.044 267 Q HN 0.496 nan 8.270 nan 0.000 0.513 268 V N 0.129 119.968 119.914 -0.124 0.000 2.672 268 V HA 0.011 4.117 4.120 -0.025 0.000 0.242 268 V C 0.781 176.767 176.094 -0.180 0.000 1.059 268 V CA 0.645 62.865 62.300 -0.133 0.000 1.081 268 V CB 0.158 31.909 31.823 -0.120 0.000 0.752 268 V HN 0.092 nan 8.190 nan 0.000 0.472 269 K N 1.660 121.880 120.400 -0.301 0.000 2.295 269 K HA 0.184 4.490 4.320 -0.025 0.000 0.270 269 K C -1.488 175.035 176.600 -0.129 0.000 1.011 269 K CA -1.653 54.442 56.287 -0.320 0.000 0.953 269 K CB 0.495 32.642 32.500 -0.589 0.000 0.956 269 K HN 0.093 nan 8.250 nan 0.000 0.477 270 P HA -0.087 nan 4.420 nan 0.000 0.225 270 P C -0.145 177.177 177.300 0.036 0.000 1.156 270 P CA 1.121 64.225 63.100 0.006 0.000 0.787 270 P CB 0.342 32.060 31.700 0.029 0.000 0.802 271 D N -1.403 119.042 120.400 0.076 0.000 2.760 271 D HA 0.150 4.775 4.640 -0.025 0.000 0.314 271 D C 0.047 176.425 176.300 0.131 0.000 1.464 271 D CA -0.501 53.559 54.000 0.100 0.000 0.797 271 D CB -0.873 39.988 40.800 0.103 0.000 1.149 271 D HN 0.139 nan 8.370 nan 0.000 0.455 272 I N 1.115 121.750 120.570 0.109 0.000 2.441 272 I HA 0.123 4.279 4.170 -0.025 0.000 0.287 272 I C 0.972 177.178 176.117 0.148 0.000 1.049 272 I CA -0.347 61.044 61.300 0.153 0.000 1.381 272 I CB 0.920 38.976 38.000 0.094 0.000 1.409 272 I HN -0.072 nan 8.210 nan 0.000 0.523 273 N N 4.516 123.320 118.700 0.173 0.000 2.426 273 N HA 0.050 4.775 4.740 -0.025 0.000 0.205 273 N C -0.013 175.594 175.510 0.161 0.000 1.040 273 N CA 0.555 53.707 53.050 0.169 0.000 0.990 273 N CB 0.076 38.667 38.487 0.174 0.000 1.215 273 N HN 0.583 nan 8.380 nan 0.000 0.491 274 Q N 0.740 120.608 119.800 0.114 0.000 2.257 274 Q HA 0.442 4.767 4.340 -0.025 0.000 0.255 274 Q C -1.098 174.968 176.000 0.111 0.000 0.920 274 Q CA -0.469 55.344 55.803 0.018 0.000 0.927 274 Q CB 2.273 30.915 28.738 -0.162 0.000 1.229 274 Q HN 0.114 nan 8.270 nan 0.000 0.433 275 L N 3.547 124.840 121.223 0.117 0.000 2.343 275 L HA 0.527 4.852 4.340 -0.025 0.000 0.278 275 L C -1.494 175.438 176.870 0.103 0.000 0.996 275 L CA -0.591 54.352 54.840 0.172 0.000 0.831 275 L CB 1.823 44.014 42.059 0.220 0.000 1.232 275 L HN 0.396 nan 8.230 nan 0.000 0.413 276 V N 5.699 125.664 119.914 0.084 0.000 2.789 276 V HA 0.659 4.764 4.120 -0.025 0.000 0.311 276 V C -0.277 175.888 176.094 0.118 0.000 1.073 276 V CA -0.578 61.718 62.300 -0.006 0.000 0.921 276 V CB 1.930 33.609 31.823 -0.239 0.000 1.009 276 V HN 0.881 nan 8.190 nan 0.000 0.426 277 M N 3.821 123.504 119.600 0.139 0.000 2.464 277 M HA 0.759 5.224 4.480 -0.025 0.000 0.308 277 M C -0.958 175.478 176.300 0.228 0.000 1.127 277 M CA -0.155 55.292 55.300 0.244 0.000 0.913 277 M CB 1.620 34.400 32.600 0.300 0.000 1.689 277 M HN 0.516 nan 8.290 nan 0.000 0.445 278 C N 5.582 125.031 119.300 0.247 0.000 2.281 278 C HA 0.823 5.269 4.460 -0.025 0.000 0.325 278 C C -2.186 172.977 174.990 0.288 0.000 1.282 278 C CA -1.375 57.707 59.018 0.107 0.000 1.640 278 C CB 0.802 28.351 27.740 -0.320 0.000 2.288 278 C HN 0.794 nan 8.230 nan 0.000 0.507 279 P HA 0.231 nan 4.420 nan 0.000 0.276 279 P C 0.488 178.045 177.300 0.430 0.000 1.261 279 P CA 0.153 63.555 63.100 0.503 0.000 0.800 279 P CB 0.767 32.827 31.700 0.601 0.000 1.066 280 T N -0.774 113.991 114.554 0.351 0.000 2.809 280 T HA -0.054 4.282 4.350 -0.025 0.000 0.260 280 T C 0.483 175.162 174.700 -0.034 0.000 1.039 280 T CA 1.257 63.449 62.100 0.154 0.000 1.141 280 T CB -0.356 68.511 68.868 -0.002 0.000 0.869 280 T HN 0.495 nan 8.240 nan 0.000 0.437 281 E N 1.745 121.706 120.200 -0.397 0.000 1.893 281 E HA 0.123 4.458 4.350 -0.025 0.000 0.269 281 E C -0.418 176.209 176.600 0.045 0.000 1.129 281 E CA -0.267 55.994 56.400 -0.231 0.000 0.904 281 E CB 0.230 29.724 29.700 -0.343 0.000 1.077 281 E HN 0.693 nan 8.360 nan 0.000 0.407 282 Y N 1.534 121.805 120.300 -0.047 0.000 2.507 282 Y HA 0.267 4.807 4.550 -0.017 0.000 0.254 282 Y C -0.206 175.089 175.900 -1.008 0.000 1.171 282 Y CA -1.139 56.819 58.100 -0.236 0.000 1.238 282 Y CB -0.242 38.013 38.460 -0.342 0.000 1.148 282 Y HN 0.256 nan 8.280 nan 0.000 0.525 283 N N -1.546 116.468 118.700 -1.144 0.000 2.610 283 N HA 0.202 4.927 4.740 -0.025 0.000 0.264 283 N C 0.155 175.270 175.510 -0.659 0.000 1.348 283 N CA -1.096 51.097 53.050 -1.427 0.000 0.819 283 N CB 1.623 39.424 38.487 -1.144 0.000 1.521 283 N HN -0.033 nan 8.380 nan 0.000 0.497 284 K N 0.028 120.202 120.400 -0.377 0.000 2.026 284 K HA -0.161 4.144 4.320 -0.025 0.000 0.208 284 K C 1.373 177.853 176.600 -0.201 0.000 1.048 284 K CA 2.023 58.204 56.287 -0.176 0.000 0.929 284 K CB -0.348 31.896 32.500 -0.427 0.000 0.713 284 K HN 0.695 nan 8.250 nan 0.000 0.439 285 S N -0.723 114.832 115.700 -0.242 0.000 2.537 285 S HA -0.120 4.335 4.470 -0.025 0.000 0.240 285 S C 0.591 175.292 174.600 0.169 0.000 0.981 285 S CA 0.359 58.507 58.200 -0.087 0.000 0.948 285 S CB -0.237 62.895 63.200 -0.112 0.000 0.759 285 S HN 0.396 nan 8.310 nan 0.000 0.531 286 W N 3.072 124.258 121.300 -0.190 0.000 2.764 286 W HA 0.566 5.195 4.660 -0.050 0.000 0.427 286 W C 0.364 176.820 176.519 -0.105 0.000 0.896 286 W CA -1.161 56.069 57.345 -0.191 0.000 2.307 286 W CB -1.050 28.208 29.460 -0.336 0.000 1.192 286 W HN 0.473 nan 8.180 nan 0.000 0.731 293 Y N 1.625 121.933 120.300 0.013 0.000 2.114 293 Y HA 0.016 4.554 4.550 -0.020 0.000 0.282 293 Y C 1.638 177.546 175.900 0.014 0.000 1.165 293 Y CA 2.017 60.125 58.100 0.014 0.000 1.148 293 Y CB -0.003 38.484 38.460 0.045 0.000 0.972 293 Y HN 0.138 nan 8.280 nan 0.000 0.504 294 L N -0.641 120.720 121.223 0.231 0.000 2.072 294 L HA -0.166 4.159 4.340 -0.025 0.000 0.205 294 L C 2.545 179.383 176.870 -0.053 0.000 1.079 294 L CA 1.694 56.612 54.840 0.130 0.000 0.752 294 L CB -0.857 41.298 42.059 0.160 0.000 0.906 294 L HN 0.380 nan 8.230 nan 0.000 0.436 295 T N -4.337 110.177 114.554 -0.066 0.000 2.821 295 T HA -0.163 4.172 4.350 -0.025 0.000 0.267 295 T C 1.808 176.442 174.700 -0.110 0.000 1.046 295 T CA 1.591 63.632 62.100 -0.097 0.000 1.139 295 T CB -0.690 68.126 68.868 -0.086 0.000 0.871 295 T HN 0.163 nan 8.240 nan 0.000 0.454 296 T N 2.472 116.948 114.554 -0.131 0.000 2.684 296 T HA 0.021 4.356 4.350 -0.025 0.000 0.267 296 T C 1.887 176.472 174.700 -0.192 0.000 1.036 296 T CA 1.304 63.303 62.100 -0.167 0.000 1.148 296 T CB -0.555 68.189 68.868 -0.207 0.000 0.863 296 T HN 0.297 nan 8.240 nan 0.000 0.436 297 L N 0.388 121.463 121.223 -0.247 0.000 2.056 297 L HA -0.001 4.325 4.340 -0.025 0.000 0.207 297 L C 3.042 179.848 176.870 -0.107 0.000 1.078 297 L CA 1.372 56.094 54.840 -0.197 0.000 0.749 297 L CB -0.996 40.940 42.059 -0.205 0.000 0.901 297 L HN 0.367 nan 8.230 nan 0.000 0.433 298 G N -0.457 108.285 108.800 -0.097 0.000 2.422 298 G HA2 -0.247 3.698 3.960 -0.025 0.000 0.218 298 G HA3 -0.247 3.698 3.960 -0.025 0.000 0.218 298 G C 1.106 175.967 174.900 -0.065 0.000 1.146 298 G CA 0.909 45.965 45.100 -0.074 0.000 0.769 298 G HN 0.305 nan 8.290 nan 0.000 0.547 299 D N -0.042 120.312 120.400 -0.077 0.000 2.213 299 D HA 0.037 4.662 4.640 -0.025 0.000 0.205 299 D C 2.422 178.688 176.300 -0.057 0.000 0.961 299 D CA 0.653 54.614 54.000 -0.065 0.000 0.853 299 D CB 0.091 40.849 40.800 -0.070 0.000 0.967 299 D HN 0.136 nan 8.370 nan 0.000 0.496 300 K N -0.004 120.354 120.400 -0.070 0.000 2.202 300 K HA 0.101 4.406 4.320 -0.025 0.000 0.201 300 K C 0.731 177.307 176.600 -0.041 0.000 1.051 300 K CA -0.264 55.984 56.287 -0.064 0.000 0.977 300 K CB -0.032 32.411 32.500 -0.095 0.000 0.792 300 K HN 0.103 nan 8.250 nan 0.000 0.469 301 L N 3.303 124.504 121.223 -0.036 0.000 2.410 301 L HA 0.051 4.377 4.340 -0.025 0.000 0.273 301 L C -0.326 176.554 176.870 0.016 0.000 1.144 301 L CA -0.038 54.801 54.840 -0.002 0.000 0.863 301 L CB 0.139 42.203 42.059 0.008 0.000 1.140 301 L HN 0.062 nan 8.230 nan 0.000 0.463 302 N N 6.933 125.653 118.700 0.033 0.000 2.294 302 N HA -0.045 4.681 4.740 -0.025 0.000 0.248 302 N C -1.709 173.829 175.510 0.048 0.000 1.242 302 N CA -0.888 52.186 53.050 0.039 0.000 0.848 302 N CB 0.157 38.674 38.487 0.051 0.000 1.084 302 N HN 0.442 nan 8.380 nan 0.000 0.457 303 P HA -0.104 nan 4.420 nan 0.000 0.220 303 P C 0.896 178.241 177.300 0.074 0.000 1.148 303 P CA 1.115 64.244 63.100 0.049 0.000 0.803 303 P CB 0.094 31.816 31.700 0.036 0.000 0.782 304 S N -0.888 114.861 115.700 0.081 0.000 2.481 304 S HA -0.015 4.440 4.470 -0.025 0.000 0.231 304 S C 1.058 175.734 174.600 0.126 0.000 0.996 304 S CA 0.102 58.366 58.200 0.106 0.000 0.942 304 S CB -1.148 62.111 63.200 0.098 0.000 0.768 304 S HN 0.058 nan 8.310 nan 0.000 0.520 305 I N 2.821 123.459 120.570 0.114 0.000 2.496 305 I HA 0.143 4.298 4.170 -0.025 0.000 0.285 305 I C 0.272 176.467 176.117 0.130 0.000 1.080 305 I CA -0.407 60.967 61.300 0.123 0.000 1.404 305 I CB 0.549 38.621 38.000 0.120 0.000 1.403 305 I HN 0.189 nan 8.210 nan 0.000 0.539 306 Q N 6.385 126.260 119.800 0.125 0.000 2.259 306 Q HA 0.546 4.871 4.340 -0.025 0.000 0.246 306 Q C -0.551 175.520 176.000 0.119 0.000 0.920 306 Q CA -0.331 55.559 55.803 0.145 0.000 0.895 306 Q CB 2.320 31.136 28.738 0.130 0.000 1.220 306 Q HN 0.532 nan 8.270 nan 0.000 0.439 307 I N 2.464 123.138 120.570 0.173 0.000 2.418 307 I HA 0.320 4.475 4.170 -0.025 0.000 0.287 307 I C -0.053 176.224 176.117 0.267 0.000 1.008 307 I CA -0.441 60.974 61.300 0.192 0.000 1.104 307 I CB 1.343 39.444 38.000 0.169 0.000 1.264 307 I HN 0.358 nan 8.210 nan 0.000 0.438 308 M N 5.339 125.096 119.600 0.261 0.000 2.368 308 M HA 0.418 4.883 4.480 -0.025 0.000 0.311 308 M C -0.888 175.689 176.300 0.462 0.000 1.168 308 M CA -0.152 55.348 55.300 0.332 0.000 1.044 308 M CB 1.953 34.692 32.600 0.232 0.000 1.506 308 M HN 0.564 nan 8.290 nan 0.000 0.475 309 W N 0.766 122.157 121.300 0.152 0.000 3.800 309 W HA 0.184 4.829 4.660 -0.026 0.000 0.299 309 W C -0.465 176.103 176.519 0.081 0.000 1.231 309 W CA -0.543 56.875 57.345 0.123 0.000 1.232 309 W CB 1.766 31.321 29.460 0.158 0.000 1.291 309 W HN 0.814 nan 8.180 nan 0.000 0.514 310 T N 1.273 115.488 114.554 -0.565 0.000 3.069 310 T HA 0.486 4.822 4.350 -0.025 0.000 0.252 310 T C 0.766 175.198 174.700 -0.446 0.000 1.053 310 T CA 1.060 62.908 62.100 -0.420 0.000 0.964 310 T CB 0.641 69.214 68.868 -0.491 0.000 1.005 310 T HN 1.286 nan 8.240 nan 0.000 0.532 311 G N 1.231 109.546 108.800 -0.809 0.000 2.378 311 G HA2 -0.138 3.807 3.960 -0.025 0.000 0.198 311 G HA3 -0.138 3.807 3.960 -0.025 0.000 0.198 311 G C -0.354 174.353 174.900 -0.322 0.000 1.223 311 G CA 0.061 45.006 45.100 -0.258 0.000 1.088 311 G HN 0.172 nan 8.290 nan 0.000 0.530 312 D N 0.996 121.309 120.400 -0.146 0.000 2.277 312 D HA 0.111 4.736 4.640 -0.025 0.000 0.208 312 D C 1.442 177.551 176.300 -0.318 0.000 0.962 312 D CA 1.121 55.014 54.000 -0.178 0.000 0.865 312 D CB 0.243 40.980 40.800 -0.104 0.000 0.939 312 D HN 0.409 nan 8.370 nan 0.000 0.510 313 R N -0.818 119.457 120.500 -0.376 0.000 2.855 313 R HA 0.314 4.639 4.340 -0.025 0.000 0.266 313 R C 1.202 177.137 176.300 -0.609 0.000 1.034 313 R CA -0.745 55.076 56.100 -0.464 0.000 0.944 313 R CB 1.788 31.917 30.300 -0.284 0.000 1.219 313 R HN -0.289 nan 8.270 nan 0.000 0.474 314 V N 1.225 120.686 119.914 -0.756 0.000 2.233 314 V HA -0.218 3.887 4.120 -0.025 0.000 0.252 314 V C 1.174 176.850 176.094 -0.697 0.000 1.063 314 V CA 1.718 63.566 62.300 -0.754 0.000 1.032 314 V CB -0.298 31.037 31.823 -0.813 0.000 0.645 314 V HN 0.500 nan 8.190 nan 0.000 0.446 315 I N 1.389 121.506 120.570 -0.756 0.000 2.307 315 I HA 0.500 4.656 4.170 -0.025 0.000 0.289 315 I C -0.030 175.782 176.117 -0.509 0.000 1.021 315 I CA 0.429 61.286 61.300 -0.738 0.000 1.224 315 I CB 0.250 37.699 38.000 -0.918 0.000 1.376 315 I HN 0.447 nan 8.210 nan 0.000 0.470 316 S N 4.163 119.655 115.700 -0.347 0.000 2.615 316 S HA 0.587 5.042 4.470 -0.025 0.000 0.269 316 S C -1.170 173.565 174.600 0.225 0.000 1.161 316 S CA -1.047 57.130 58.200 -0.038 0.000 0.817 316 S CB 2.613 65.788 63.200 -0.042 0.000 1.131 316 S HN 0.409 nan 8.310 nan 0.000 0.467 317 D N 0.829 121.406 120.400 0.295 0.000 2.253 317 D HA 0.460 5.085 4.640 -0.025 0.000 0.249 317 D C -0.162 176.212 176.300 0.122 0.000 1.049 317 D CA -0.406 53.753 54.000 0.266 0.000 0.929 317 D CB 0.687 41.583 40.800 0.159 0.000 1.176 317 D HN 0.465 nan 8.370 nan 0.000 0.437 318 I N 1.578 122.180 120.570 0.054 0.000 2.325 318 I HA 0.133 4.288 4.170 -0.025 0.000 0.291 318 I C 1.097 177.267 176.117 0.089 0.000 1.019 318 I CA -0.404 60.964 61.300 0.113 0.000 1.302 318 I CB 0.066 38.177 38.000 0.186 0.000 1.401 318 I HN 0.280 nan 8.210 nan 0.000 0.485 319 T N 2.683 117.303 114.554 0.109 0.000 2.952 319 T HA 0.422 4.757 4.350 -0.025 0.000 0.286 319 T C 1.141 175.905 174.700 0.106 0.000 1.024 319 T CA -0.731 61.423 62.100 0.091 0.000 1.029 319 T CB 2.096 71.012 68.868 0.080 0.000 1.094 319 T HN 0.627 nan 8.240 nan 0.000 0.515 320 R N 0.165 120.717 120.500 0.086 0.000 2.091 320 R HA -0.135 4.190 4.340 -0.025 0.000 0.238 320 R C 1.420 177.779 176.300 0.098 0.000 1.136 320 R CA 2.084 58.234 56.100 0.084 0.000 0.959 320 R CB -0.415 29.924 30.300 0.064 0.000 0.856 320 R HN 0.714 nan 8.270 nan 0.000 0.437 321 D N -1.027 119.434 120.400 0.101 0.000 2.149 321 D HA -0.053 4.572 4.640 -0.025 0.000 0.201 321 D C 1.711 178.114 176.300 0.171 0.000 0.972 321 D CA 1.430 55.503 54.000 0.122 0.000 0.835 321 D CB -0.335 40.525 40.800 0.099 0.000 0.966 321 D HN 0.496 nan 8.370 nan 0.000 0.476 322 G N 0.834 109.731 108.800 0.161 0.000 2.432 322 G HA2 -0.214 3.732 3.960 -0.025 0.000 0.219 322 G HA3 -0.214 3.732 3.960 -0.025 0.000 0.219 322 G C 1.626 176.699 174.900 0.289 0.000 1.135 322 G CA 0.243 45.474 45.100 0.219 0.000 0.767 322 G HN 0.228 nan 8.290 nan 0.000 0.550 323 I N 0.671 121.369 120.570 0.213 0.000 2.703 323 I HA 0.064 4.220 4.170 -0.025 0.000 0.259 323 I C 2.688 178.865 176.117 0.099 0.000 1.151 323 I CA 1.010 62.409 61.300 0.165 0.000 1.470 323 I CB 0.005 38.097 38.000 0.153 0.000 1.112 323 I HN 0.069 nan 8.210 nan 0.000 0.437 324 S N -0.172 115.596 115.700 0.112 0.000 2.368 324 S HA -0.242 4.213 4.470 -0.025 0.000 0.225 324 S C 1.658 176.303 174.600 0.074 0.000 1.030 324 S CA 1.547 59.789 58.200 0.071 0.000 0.999 324 S CB -0.868 62.377 63.200 0.075 0.000 0.844 324 S HN 0.689 nan 8.310 nan 0.000 0.459 325 W N 1.965 123.253 121.300 -0.020 0.000 2.317 325 W HA -0.201 4.480 4.660 0.034 0.000 0.318 325 W C 2.023 178.463 176.519 -0.133 0.000 1.227 325 W CA 1.360 58.685 57.345 -0.034 0.000 1.269 325 W CB -0.464 29.011 29.460 0.026 0.000 1.155 325 W HN 0.239 nan 8.180 nan 0.000 0.484 326 I N 1.624 122.243 120.570 0.080 0.000 2.202 326 I HA -0.289 3.866 4.170 -0.025 0.000 0.242 326 I C 1.819 177.722 176.117 -0.357 0.000 1.091 326 I CA 1.931 63.005 61.300 -0.376 0.000 1.368 326 I CB -1.063 36.284 38.000 -1.088 0.000 1.058 326 I HN -0.041 nan 8.210 nan 0.000 0.410 327 N N 0.775 119.351 118.700 -0.206 0.000 2.272 327 N HA -0.241 4.485 4.740 -0.025 0.000 0.185 327 N C 1.804 177.220 175.510 -0.157 0.000 1.014 327 N CA 1.349 54.314 53.050 -0.142 0.000 0.870 327 N CB -0.412 38.037 38.487 -0.064 0.000 0.975 327 N HN 0.615 nan 8.380 nan 0.000 0.433 328 E N 0.674 120.753 120.200 -0.201 0.000 2.106 328 E HA -0.094 4.242 4.350 -0.025 0.000 0.192 328 E C 1.716 178.163 176.600 -0.256 0.000 0.984 328 E CA 0.829 57.100 56.400 -0.214 0.000 0.806 328 E CB 0.172 29.722 29.700 -0.250 0.000 0.750 328 E HN 0.240 nan 8.360 nan 0.000 0.458 329 R N 0.184 120.471 120.500 -0.356 0.000 2.100 329 R HA 0.062 4.387 4.340 -0.025 0.000 0.220 329 R C 2.483 178.655 176.300 -0.214 0.000 1.091 329 R CA 1.250 57.153 56.100 -0.330 0.000 0.986 329 R CB -0.177 29.839 30.300 -0.474 0.000 0.888 329 R HN 0.369 nan 8.270 nan 0.000 0.444 330 I N -1.655 118.795 120.570 -0.200 0.000 3.578 330 I HA 0.111 4.266 4.170 -0.025 0.000 0.295 330 I C -0.381 175.688 176.117 -0.079 0.000 1.280 330 I CA 0.092 61.321 61.300 -0.119 0.000 1.347 330 I CB 0.261 38.206 38.000 -0.093 0.000 1.051 330 I HN -0.083 nan 8.210 nan 0.000 0.460 331 K N 2.339 122.683 120.400 -0.092 0.000 3.069 331 K HA -0.191 4.114 4.320 -0.025 0.000 0.267 331 K C -0.336 176.246 176.600 -0.029 0.000 1.082 331 K CA 1.177 57.427 56.287 -0.061 0.000 0.782 331 K CB -1.868 30.599 32.500 -0.054 0.000 1.230 331 K HN 0.903 nan 8.250 nan 0.000 0.488 332 R N -2.715 117.772 120.500 -0.022 0.000 2.728 332 R HA 0.442 4.767 4.340 -0.025 0.000 0.274 332 R C -3.358 172.954 176.300 0.020 0.000 1.032 332 R CA -1.816 54.293 56.100 0.015 0.000 0.866 332 R CB 1.069 31.396 30.300 0.046 0.000 1.263 332 R HN -0.287 nan 8.270 nan 0.000 0.475 333 P HA 0.164 nan 4.420 nan 0.000 0.276 333 P C -0.464 176.901 177.300 0.109 0.000 1.243 333 P CA -0.111 63.026 63.100 0.061 0.000 0.768 333 P CB 1.081 32.819 31.700 0.062 0.000 0.856 334 A N 4.012 126.892 122.820 0.099 0.000 2.445 334 A HA 0.119 4.424 4.320 -0.025 0.000 0.242 334 A C -0.684 177.064 177.584 0.273 0.000 1.075 334 A CA -0.023 52.114 52.037 0.167 0.000 0.777 334 A CB -0.345 18.721 19.000 0.110 0.000 1.013 334 A HN 0.608 nan 8.150 nan 0.000 0.493 335 Y N 3.223 123.647 120.300 0.205 0.000 2.385 335 Y HA 0.405 4.939 4.550 -0.027 0.000 0.341 335 Y C -0.225 175.807 175.900 0.220 0.000 0.965 335 Y CA -0.972 57.255 58.100 0.211 0.000 1.180 335 Y CB 0.533 39.109 38.460 0.193 0.000 1.139 335 Y HN 0.465 nan 8.280 nan 0.000 0.502 336 I N 6.443 127.180 120.570 0.279 0.000 2.416 336 I HA -0.072 4.084 4.170 -0.025 0.000 0.288 336 I C -0.359 175.819 176.117 0.103 0.000 1.051 336 I CA -0.389 61.016 61.300 0.175 0.000 1.375 336 I CB 0.628 38.615 38.000 -0.022 0.000 1.407 336 I HN 0.723 nan 8.210 nan 0.000 0.516 337 W N 9.068 130.332 121.300 -0.060 0.000 2.288 337 W HA 0.187 4.836 4.660 -0.018 0.000 0.325 337 W C -1.219 175.200 176.519 -0.166 0.000 1.019 337 W CA -1.522 55.737 57.345 -0.143 0.000 1.403 337 W CB 0.917 30.259 29.460 -0.197 0.000 1.226 337 W HN 0.546 nan 8.180 nan 0.000 0.391 338 W N 7.932 129.113 121.300 -0.198 0.000 2.332 338 W HA 0.252 4.893 4.660 -0.033 0.000 0.306 338 W C 0.299 176.821 176.519 0.005 0.000 1.149 338 W CA -0.668 56.577 57.345 -0.167 0.000 1.271 338 W CB 0.508 29.774 29.460 -0.324 0.000 1.243 338 W HN 0.230 nan 8.180 nan 0.000 0.459 339 N N 6.857 125.381 118.700 -0.294 0.000 3.254 339 N HA 0.069 4.795 4.740 -0.025 0.000 0.308 339 N C -1.545 173.623 175.510 -0.570 0.000 1.281 339 N CA 0.280 53.132 53.050 -0.330 0.000 1.212 339 N CB -0.616 37.682 38.487 -0.314 0.000 1.478 339 N HN 0.324 nan 8.380 nan 0.000 0.548 340 F N 0.968 120.384 119.950 -0.890 0.000 2.615 340 F HA 0.356 4.867 4.527 -0.027 0.000 0.312 340 F C -2.288 173.235 175.800 -0.463 0.000 1.119 340 F CA -1.834 55.679 58.000 -0.811 0.000 0.979 340 F CB 2.379 40.554 39.000 -1.376 0.000 1.266 340 F HN -0.043 nan 8.300 nan 0.000 0.444 341 P HA 0.040 nan 4.420 nan 0.000 0.253 341 P C 0.179 177.087 177.300 -0.653 0.000 1.459 341 P CA 0.309 62.524 63.100 -1.475 0.000 0.908 341 P CB 0.290 31.286 31.700 -1.173 0.000 1.470 342 V N 2.049 121.739 119.914 -0.373 0.000 2.726 342 V HA -0.064 4.041 4.120 -0.025 0.000 0.304 342 V C 1.133 177.109 176.094 -0.196 0.000 1.115 342 V CA 1.682 63.868 62.300 -0.190 0.000 1.264 342 V CB 0.086 31.899 31.823 -0.016 0.000 0.867 342 V HN 0.421 nan 8.190 nan 0.000 0.498 343 S N 2.130 117.696 115.700 -0.224 0.000 2.855 343 S HA 0.173 4.628 4.470 -0.025 0.000 0.249 343 S C 0.709 175.174 174.600 -0.226 0.000 1.033 343 S CA 0.102 58.117 58.200 -0.308 0.000 1.038 343 S CB 0.148 63.219 63.200 -0.216 0.000 0.960 343 S HN 0.972 nan 8.310 nan 0.000 0.548 344 D N 1.539 121.911 120.400 -0.047 0.000 2.378 344 D HA -0.128 4.497 4.640 -0.025 0.000 0.227 344 D C 0.984 177.368 176.300 0.139 0.000 1.012 344 D CA 0.396 54.452 54.000 0.093 0.000 0.905 344 D CB -0.701 40.242 40.800 0.238 0.000 0.895 344 D HN 0.773 nan 8.370 nan 0.000 0.532 345 Y N -1.180 119.152 120.300 0.054 0.000 2.500 345 Y HA 0.390 4.932 4.550 -0.014 0.000 0.246 345 Y C 0.423 176.362 175.900 0.065 0.000 1.146 345 Y CA -0.682 57.443 58.100 0.042 0.000 1.230 345 Y CB 0.264 38.775 38.460 0.085 0.000 1.214 345 Y HN -0.041 nan 8.280 nan 0.000 0.526 346 V N -1.711 118.017 119.914 -0.310 0.000 2.719 346 V HA 0.465 4.570 4.120 -0.025 0.000 0.330 346 V C 0.620 176.733 176.094 0.032 0.000 1.224 346 V CA -0.752 61.452 62.300 -0.160 0.000 1.314 346 V CB 0.211 31.818 31.823 -0.360 0.000 1.416 346 V HN 0.250 nan 8.190 nan 0.000 0.651 347 R N 1.258 121.825 120.500 0.112 0.000 2.328 347 R HA -0.040 4.285 4.340 -0.025 0.000 0.207 347 R C 1.161 177.670 176.300 0.348 0.000 1.056 347 R CA 1.436 57.650 56.100 0.190 0.000 1.016 347 R CB 0.034 30.455 30.300 0.202 0.000 0.872 347 R HN 0.863 nan 8.270 nan 0.000 0.471 348 D N -1.132 119.483 120.400 0.358 0.000 2.339 348 D HA -0.034 4.591 4.640 -0.025 0.000 0.217 348 D C 0.200 176.813 176.300 0.522 0.000 1.050 348 D CA 0.322 54.566 54.000 0.407 0.000 0.856 348 D CB -0.045 40.881 40.800 0.210 0.000 0.922 348 D HN 0.201 nan 8.370 nan 0.000 0.518 349 H N -0.047 119.218 119.070 0.324 0.000 2.569 349 H HA 0.453 4.997 4.556 -0.020 0.000 0.357 349 H C -0.330 174.917 175.328 -0.134 0.000 1.153 349 H CA -0.857 55.293 56.048 0.171 0.000 1.193 349 H CB 2.341 32.138 29.762 0.058 0.000 1.602 349 H HN -0.105 nan 8.280 nan 0.000 0.523 350 L N 3.394 124.436 121.223 -0.302 0.000 2.322 350 L HA 0.340 4.665 4.340 -0.025 0.000 0.279 350 L C -0.157 176.603 176.870 -0.183 0.000 1.036 350 L CA -0.706 53.870 54.840 -0.440 0.000 0.807 350 L CB 1.445 43.058 42.059 -0.744 0.000 1.226 350 L HN 0.338 nan 8.230 nan 0.000 0.433 351 L N 5.322 126.452 121.223 -0.155 0.000 2.371 351 L HA 0.337 4.662 4.340 -0.025 0.000 0.262 351 L C 0.320 177.188 176.870 -0.003 0.000 1.054 351 L CA -0.099 54.710 54.840 -0.053 0.000 0.924 351 L CB 0.603 42.569 42.059 -0.154 0.000 1.295 351 L HN 0.652 nan 8.230 nan 0.000 0.441 352 L N 1.416 122.681 121.223 0.071 0.000 2.769 352 L HA 0.320 4.645 4.340 -0.025 0.000 0.240 352 L C 1.350 178.477 176.870 0.428 0.000 1.163 352 L CA -0.204 54.735 54.840 0.164 0.000 0.962 352 L CB 0.256 42.346 42.059 0.051 0.000 1.258 352 L HN 0.570 nan 8.230 nan 0.000 0.513 353 G N 0.813 109.836 108.800 0.372 0.000 2.621 353 G HA2 0.342 4.287 3.960 -0.025 0.000 0.271 353 G HA3 0.342 4.287 3.960 -0.025 0.000 0.271 353 G C -2.402 172.614 174.900 0.193 0.000 1.236 353 G CA -0.881 44.349 45.100 0.215 0.000 0.958 353 G HN -0.118 nan 8.290 nan 0.000 0.512 354 P HA 0.080 nan 4.420 nan 0.000 0.268 354 P C -0.293 177.081 177.300 0.124 0.000 1.208 354 P CA -0.191 62.776 63.100 -0.223 0.000 0.777 354 P CB 0.883 32.016 31.700 -0.944 0.000 0.875 355 V N 4.387 124.461 119.914 0.266 0.000 2.385 355 V HA 0.279 4.384 4.120 -0.025 0.000 0.269 355 V C 0.054 176.265 176.094 0.196 0.000 1.043 355 V CA 0.357 62.809 62.300 0.254 0.000 0.906 355 V CB -0.796 31.263 31.823 0.393 0.000 0.995 355 V HN 0.615 nan 8.190 nan 0.000 0.467 356 Y N 1.973 122.204 120.300 -0.114 0.000 2.705 356 Y HA 0.838 5.375 4.550 -0.022 0.000 0.332 356 Y C 0.726 176.536 175.900 -0.150 0.000 1.221 356 Y CA -0.441 57.575 58.100 -0.140 0.000 1.059 356 Y CB 1.530 39.872 38.460 -0.197 0.000 1.298 356 Y HN 0.719 nan 8.280 nan 0.000 0.459 357 G N 0.681 109.455 108.800 -0.043 0.000 2.232 357 G HA2 -0.241 3.704 3.960 -0.025 0.000 0.226 357 G HA3 -0.241 3.704 3.960 -0.025 0.000 0.226 357 G C -0.660 174.159 174.900 -0.134 0.000 0.996 357 G CA -0.135 44.913 45.100 -0.086 0.000 0.626 357 G HN 0.696 nan 8.290 nan 0.000 0.509 358 N N 1.739 120.244 118.700 -0.324 0.000 2.499 358 N HA 0.356 5.081 4.740 -0.025 0.000 0.281 358 N C -0.765 174.645 175.510 -0.167 0.000 1.098 358 N CA -0.312 52.509 53.050 -0.381 0.000 0.979 358 N CB 1.410 39.345 38.487 -0.920 0.000 1.121 358 N HN 0.364 nan 8.380 nan 0.000 0.466 359 D N 0.548 120.938 120.400 -0.017 0.000 2.424 359 D HA -0.010 4.615 4.640 -0.025 0.000 0.244 359 D C 0.748 177.133 176.300 0.142 0.000 1.134 359 D CA 0.232 54.269 54.000 0.061 0.000 0.881 359 D CB 0.923 41.761 40.800 0.064 0.000 1.191 359 D HN 0.559 nan 8.370 nan 0.000 0.445 360 T N -0.742 113.892 114.554 0.133 0.000 3.086 360 T HA -0.003 4.333 4.350 -0.025 0.000 0.250 360 T C 1.277 175.989 174.700 0.020 0.000 1.074 360 T CA 0.471 62.652 62.100 0.134 0.000 0.988 360 T CB -0.118 68.848 68.868 0.164 0.000 0.988 360 T HN 0.409 nan 8.240 nan 0.000 0.530 361 T N -0.260 114.307 114.554 0.021 0.000 3.084 361 T HA 0.325 4.660 4.350 -0.025 0.000 0.270 361 T C 1.153 175.848 174.700 -0.009 0.000 1.008 361 T CA -0.454 61.645 62.100 -0.002 0.000 0.900 361 T CB -0.698 68.179 68.868 0.014 0.000 1.084 361 T HN 0.635 nan 8.240 nan 0.000 0.538 362 I N -1.424 119.142 120.570 -0.006 0.000 3.889 362 I HA 0.707 4.862 4.170 -0.025 0.000 0.332 362 I C 2.020 178.121 176.117 -0.026 0.000 1.493 362 I CA -0.769 60.534 61.300 0.005 0.000 1.158 362 I CB -0.255 37.774 38.000 0.048 0.000 1.117 362 I HN 0.077 nan 8.210 nan 0.000 0.411 363 A N 2.283 125.051 122.820 -0.086 0.000 1.948 363 A HA -0.211 4.095 4.320 -0.025 0.000 0.220 363 A C 2.314 179.855 177.584 -0.071 0.000 1.177 363 A CA 1.774 53.736 52.037 -0.125 0.000 0.636 363 A CB -0.408 18.484 19.000 -0.180 0.000 0.815 363 A HN 0.556 nan 8.150 nan 0.000 0.449 364 K N -0.373 120.000 120.400 -0.045 0.000 2.365 364 K HA -0.045 4.260 4.320 -0.025 0.000 0.199 364 K C 0.924 177.522 176.600 -0.003 0.000 1.045 364 K CA 0.967 57.239 56.287 -0.026 0.000 0.962 364 K CB 0.076 32.565 32.500 -0.018 0.000 0.759 364 K HN 0.435 nan 8.250 nan 0.000 0.469 365 E N 0.578 120.784 120.200 0.010 0.000 2.489 365 E HA 0.027 4.362 4.350 -0.025 0.000 0.193 365 E C 0.499 177.132 176.600 0.054 0.000 1.057 365 E CA 0.362 56.781 56.400 0.031 0.000 0.866 365 E CB -0.018 29.707 29.700 0.042 0.000 0.916 365 E HN 0.429 nan 8.360 nan 0.000 0.500 366 M N -1.753 117.877 119.600 0.050 0.000 2.395 366 M HA 0.487 4.952 4.480 -0.025 0.000 0.307 366 M C 0.510 176.838 176.300 0.048 0.000 1.091 366 M CA -0.661 54.687 55.300 0.079 0.000 0.919 366 M CB 2.223 34.899 32.600 0.127 0.000 1.662 366 M HN -0.403 nan 8.290 nan 0.000 0.440 367 S N 1.477 117.226 115.700 0.081 0.000 2.414 367 S HA 0.273 4.728 4.470 -0.025 0.000 0.227 367 S C 0.768 175.353 174.600 -0.025 0.000 1.022 367 S CA 0.981 59.238 58.200 0.094 0.000 0.958 367 S CB 0.081 63.437 63.200 0.259 0.000 0.797 367 S HN 0.953 nan 8.310 nan 0.000 0.493 368 G N -0.340 108.323 108.800 -0.228 0.000 2.677 368 G HA2 0.599 4.544 3.960 -0.025 0.000 0.291 368 G HA3 0.599 4.544 3.960 -0.025 0.000 0.291 368 G C -2.106 172.662 174.900 -0.220 0.000 1.435 368 G CA -0.648 44.134 45.100 -0.529 0.000 0.826 368 G HN 0.136 nan 8.290 nan 0.000 0.491 369 F N 1.579 121.400 119.950 -0.215 0.000 2.730 369 F HA 0.559 5.071 4.527 -0.026 0.000 0.335 369 F C -0.292 175.533 175.800 0.043 0.000 1.212 369 F CA -0.749 57.244 58.000 -0.011 0.000 1.016 369 F CB 1.839 40.859 39.000 0.033 0.000 1.290 369 F HN 0.567 nan 8.300 nan 0.000 0.495 370 V N 1.945 121.824 119.914 -0.058 0.000 2.864 370 V HA 0.797 4.902 4.120 -0.025 0.000 0.314 370 V C -0.718 175.332 176.094 -0.074 0.000 1.073 370 V CA -0.615 61.688 62.300 0.003 0.000 0.956 370 V CB 1.531 33.332 31.823 -0.036 0.000 1.023 370 V HN 0.728 nan 8.190 nan 0.000 0.435 371 T N 2.391 116.976 114.554 0.052 0.000 2.779 371 T HA 0.396 4.731 4.350 -0.025 0.000 0.280 371 T C -0.384 174.265 174.700 -0.084 0.000 0.987 371 T CA -0.403 61.753 62.100 0.092 0.000 0.966 371 T CB 0.631 69.706 68.868 0.346 0.000 0.933 371 T HN 0.985 nan 8.240 nan 0.000 0.442 372 N N 6.633 125.216 118.700 -0.195 0.000 2.401 372 N HA 0.373 5.098 4.740 -0.025 0.000 0.255 372 N C -2.255 173.212 175.510 -0.073 0.000 1.110 372 N CA -1.653 51.281 53.050 -0.193 0.000 0.949 372 N CB 0.950 39.354 38.487 -0.139 0.000 1.110 372 N HN 0.396 nan 8.380 nan 0.000 0.490 373 P HA 0.262 nan 4.420 nan 0.000 0.310 373 P C -0.205 177.006 177.300 -0.148 0.000 1.309 373 P CA -0.537 62.573 63.100 0.017 0.000 0.769 373 P CB 1.050 32.933 31.700 0.304 0.000 1.327 374 M N 0.074 119.562 119.600 -0.188 0.000 2.228 374 M HA 0.088 4.553 4.480 -0.025 0.000 0.326 374 M C 1.896 177.772 176.300 -0.706 0.000 1.122 374 M CA 0.086 55.151 55.300 -0.392 0.000 1.161 374 M CB 0.209 32.681 32.600 -0.214 0.000 1.437 374 M HN 0.481 nan 8.290 nan 0.000 0.465 375 E N 0.456 119.984 120.200 -1.119 0.000 2.267 375 E HA -0.180 4.155 4.350 -0.025 0.000 0.197 375 E C -0.200 176.233 176.600 -0.278 0.000 0.998 375 E CA 1.152 56.980 56.400 -0.953 0.000 0.830 375 E CB -0.190 29.120 29.700 -0.651 0.000 0.751 375 E HN 0.527 nan 8.360 nan 0.000 0.491 376 H N 0.669 119.686 119.070 -0.088 0.000 3.008 376 H HA 0.312 4.853 4.556 -0.025 0.000 0.268 376 H C 0.872 176.124 175.328 -0.126 0.000 1.323 376 H CA 0.291 56.284 56.048 -0.092 0.000 1.401 376 H CB 1.049 30.708 29.762 -0.172 0.000 1.556 376 H HN 0.276 nan 8.280 nan 0.000 0.502 377 A N 3.670 126.357 122.820 -0.221 0.000 1.865 377 A HA -0.183 4.122 4.320 -0.025 0.000 0.217 377 A C 2.175 179.471 177.584 -0.480 0.000 1.191 377 A CA 1.180 52.778 52.037 -0.731 0.000 0.623 377 A CB 0.028 18.143 19.000 -1.474 0.000 0.826 377 A HN 0.519 nan 8.150 nan 0.000 0.444 378 E N 0.314 120.296 120.200 -0.363 0.000 2.110 378 E HA -0.101 4.234 4.350 -0.025 0.000 0.193 378 E C 2.318 178.773 176.600 -0.242 0.000 0.988 378 E CA 1.358 57.565 56.400 -0.321 0.000 0.804 378 E CB -0.557 28.987 29.700 -0.259 0.000 0.745 378 E HN 0.577 nan 8.360 nan 0.000 0.458 379 S N 1.057 116.658 115.700 -0.166 0.000 2.419 379 S HA -0.067 4.388 4.470 -0.025 0.000 0.233 379 S C 2.027 176.573 174.600 -0.090 0.000 1.016 379 S CA 0.765 58.889 58.200 -0.127 0.000 0.974 379 S CB -0.056 63.062 63.200 -0.137 0.000 0.786 379 S HN 0.130 nan 8.310 nan 0.000 0.492 380 S N 1.244 116.900 115.700 -0.075 0.000 2.515 380 S HA 0.063 4.518 4.470 -0.025 0.000 0.231 380 S C 1.558 176.185 174.600 0.045 0.000 0.987 380 S CA 0.448 58.649 58.200 0.001 0.000 0.936 380 S CB -0.049 63.212 63.200 0.101 0.000 0.766 380 S HN 0.497 nan 8.310 nan 0.000 0.528 381 K N 1.069 121.420 120.400 -0.081 0.000 2.283 381 K HA 0.051 4.356 4.320 -0.025 0.000 0.202 381 K C 1.606 178.305 176.600 0.165 0.000 1.048 381 K CA 0.775 57.007 56.287 -0.091 0.000 0.948 381 K CB -0.257 31.856 32.500 -0.646 0.000 0.742 381 K HN 0.367 nan 8.250 nan 0.000 0.458 382 I N 1.015 121.640 120.570 0.091 0.000 2.142 382 I HA -0.301 3.854 4.170 -0.025 0.000 0.240 382 I C 2.488 178.802 176.117 0.328 0.000 1.078 382 I CA 1.365 62.748 61.300 0.139 0.000 1.343 382 I CB -0.308 37.737 38.000 0.075 0.000 1.046 382 I HN 0.140 nan 8.210 nan 0.000 0.405 383 A N 0.585 123.609 122.820 0.340 0.000 1.929 383 A HA -0.089 4.216 4.320 -0.025 0.000 0.216 383 A C 2.282 180.141 177.584 0.457 0.000 1.176 383 A CA 1.161 53.469 52.037 0.451 0.000 0.628 383 A CB -0.717 18.531 19.000 0.413 0.000 0.816 383 A HN 0.361 nan 8.150 nan 0.000 0.444 384 I N -1.888 118.935 120.570 0.421 0.000 2.179 384 I HA -0.278 3.877 4.170 -0.025 0.000 0.242 384 I C 2.447 178.858 176.117 0.489 0.000 1.088 384 I CA 1.792 63.365 61.300 0.455 0.000 1.357 384 I CB -0.418 37.884 38.000 0.503 0.000 1.051 384 I HN 0.555 nan 8.210 nan 0.000 0.409 385 Y N 1.259 121.819 120.300 0.433 0.000 2.207 385 Y HA -0.298 4.237 4.550 -0.025 0.000 0.287 385 Y C 2.688 178.726 175.900 0.230 0.000 1.156 385 Y CA 1.945 60.212 58.100 0.278 0.000 1.182 385 Y CB -0.000 38.654 38.460 0.323 0.000 0.979 385 Y HN 0.068 nan 8.280 nan 0.000 0.521 386 S N -0.748 115.285 115.700 0.555 0.000 2.357 386 S HA -0.151 4.304 4.470 -0.025 0.000 0.221 386 S C 2.016 176.803 174.600 0.311 0.000 1.031 386 S CA 1.187 59.692 58.200 0.509 0.000 0.982 386 S CB -0.564 62.967 63.200 0.552 0.000 0.853 386 S HN 0.314 nan 8.310 nan 0.000 0.458 387 V N 2.315 122.403 119.914 0.290 0.000 2.392 387 V HA -0.237 3.869 4.120 -0.025 0.000 0.249 387 V C 2.612 178.788 176.094 0.137 0.000 1.059 387 V CA 1.734 64.156 62.300 0.205 0.000 1.051 387 V CB -1.201 30.857 31.823 0.391 0.000 0.658 387 V HN 0.535 nan 8.190 nan 0.000 0.455 388 A N -0.814 122.078 122.820 0.119 0.000 1.902 388 A HA -0.225 4.080 4.320 -0.025 0.000 0.217 388 A C 2.559 180.137 177.584 -0.011 0.000 1.181 388 A CA 2.167 54.216 52.037 0.021 0.000 0.623 388 A CB -0.750 18.199 19.000 -0.086 0.000 0.818 388 A HN 0.485 nan 8.150 nan 0.000 0.443 389 S N -1.831 113.870 115.700 0.002 0.000 2.356 389 S HA -0.201 4.254 4.470 -0.025 0.000 0.223 389 S C 1.938 176.617 174.600 0.131 0.000 1.032 389 S CA 1.698 59.939 58.200 0.069 0.000 1.005 389 S CB -0.550 62.775 63.200 0.209 0.000 0.867 389 S HN 0.698 nan 8.310 nan 0.000 0.449 390 Y N 1.837 122.040 120.300 -0.161 0.000 2.200 390 Y HA 0.084 4.621 4.550 -0.023 0.000 0.290 390 Y C 2.293 177.992 175.900 -0.336 0.000 1.137 390 Y CA 1.350 59.155 58.100 -0.491 0.000 1.163 390 Y CB -0.894 36.870 38.460 -1.161 0.000 0.988 390 Y HN 0.281 nan 8.280 nan 0.000 0.518 391 A N 0.411 122.983 122.820 -0.412 0.000 2.014 391 A HA -0.132 4.174 4.320 -0.025 0.000 0.218 391 A C 2.187 179.629 177.584 -0.236 0.000 1.163 391 A CA 1.087 52.865 52.037 -0.431 0.000 0.652 391 A CB -1.397 17.519 19.000 -0.140 0.000 0.808 391 A HN 0.845 nan 8.150 nan 0.000 0.449 392 W N 0.273 121.407 121.300 -0.277 0.000 2.441 392 W HA 0.035 4.679 4.660 -0.025 0.000 0.302 392 W C -0.131 176.234 176.519 -0.257 0.000 1.191 392 W CA 1.457 58.662 57.345 -0.232 0.000 1.327 392 W CB 0.027 29.364 29.460 -0.206 0.000 1.128 392 W HN 0.381 nan 8.180 nan 0.000 0.522 393 N N 0.331 119.039 118.700 0.013 0.000 2.750 393 N HA 0.176 4.901 4.740 -0.025 0.000 0.253 393 N C -2.092 173.353 175.510 -0.108 0.000 1.408 393 N CA -1.774 51.233 53.050 -0.071 0.000 0.780 393 N CB 0.877 39.422 38.487 0.097 0.000 1.191 393 N HN -0.183 nan 8.380 nan 0.000 0.511 394 P HA -0.041 nan 4.420 nan 0.000 0.218 394 P C 1.041 178.310 177.300 -0.050 0.000 1.149 394 P CA 0.784 63.694 63.100 -0.316 0.000 0.817 394 P CB 0.301 31.621 31.700 -0.634 0.000 0.785 395 A N 0.205 122.981 122.820 -0.072 0.000 2.019 395 A HA -0.130 4.175 4.320 -0.025 0.000 0.219 395 A C 2.024 179.622 177.584 0.023 0.000 1.164 395 A CA 1.458 53.483 52.037 -0.019 0.000 0.644 395 A CB -0.909 18.065 19.000 -0.044 0.000 0.805 395 A HN 0.177 nan 8.150 nan 0.000 0.449 396 K N -1.688 118.731 120.400 0.032 0.000 2.372 396 K HA 0.135 4.440 4.320 -0.025 0.000 0.200 396 K C -0.441 176.216 176.600 0.096 0.000 1.022 396 K CA -0.475 55.840 56.287 0.048 0.000 1.125 396 K CB 0.142 32.657 32.500 0.024 0.000 0.855 396 K HN 0.482 nan 8.250 nan 0.000 0.524 397 Y N 2.407 122.724 120.300 0.029 0.000 2.721 397 Y HA -0.083 4.453 4.550 -0.025 0.000 0.329 397 Y C -0.191 175.752 175.900 0.072 0.000 1.211 397 Y CA -0.132 58.013 58.100 0.075 0.000 1.512 397 Y CB 0.301 38.861 38.460 0.166 0.000 1.249 397 Y HN -0.009 nan 8.280 nan 0.000 0.549 398 D N 4.832 124.837 120.400 -0.658 0.000 2.454 398 D HA 0.165 4.790 4.640 -0.025 0.000 0.247 398 D C 0.525 176.415 176.300 -0.684 0.000 1.129 398 D CA -0.209 53.520 54.000 -0.452 0.000 0.877 398 D CB 1.344 42.045 40.800 -0.165 0.000 1.082 398 D HN 0.760 nan 8.370 nan 0.000 0.537 399 T N 2.144 116.319 114.554 -0.632 0.000 2.607 399 T HA -0.191 4.144 4.350 -0.025 0.000 0.267 399 T C 1.550 176.089 174.700 -0.269 0.000 1.049 399 T CA 1.338 63.139 62.100 -0.500 0.000 1.162 399 T CB -0.286 68.321 68.868 -0.435 0.000 0.863 399 T HN 0.548 nan 8.240 nan 0.000 0.424 400 W N 0.944 122.201 121.300 -0.072 0.000 2.441 400 W HA 0.010 4.656 4.660 -0.023 0.000 0.302 400 W C 2.943 179.541 176.519 0.131 0.000 1.191 400 W CA 0.360 57.721 57.345 0.027 0.000 1.327 400 W CB -0.340 29.100 29.460 -0.033 0.000 1.128 400 W HN 0.171 nan 8.180 nan 0.000 0.522 401 Q N 0.048 120.013 119.800 0.274 0.000 2.181 401 Q HA -0.158 4.167 4.340 -0.025 0.000 0.205 401 Q C 1.824 177.939 176.000 0.193 0.000 0.980 401 Q CA 2.488 58.408 55.803 0.195 0.000 0.862 401 Q CB -0.601 28.197 28.738 0.100 0.000 0.905 401 Q HN 0.086 nan 8.270 nan 0.000 0.429 402 T N -0.822 113.834 114.554 0.170 0.000 2.896 402 T HA -0.103 4.233 4.350 -0.025 0.000 0.263 402 T C 0.922 175.814 174.700 0.320 0.000 1.050 402 T CA 0.901 63.156 62.100 0.259 0.000 1.140 402 T CB -0.497 68.511 68.868 0.235 0.000 0.877 402 T HN 0.545 nan 8.240 nan 0.000 0.457 403 W N 2.536 123.907 121.300 0.119 0.000 2.355 403 W HA -0.089 4.557 4.660 -0.023 0.000 0.309 403 W C 2.007 178.570 176.519 0.074 0.000 1.206 403 W CA 1.060 58.468 57.345 0.106 0.000 1.284 403 W CB -0.122 29.390 29.460 0.088 0.000 1.145 403 W HN 0.112 nan 8.180 nan 0.000 0.502 404 K N -0.227 120.307 120.400 0.223 0.000 2.057 404 K HA -0.189 4.117 4.320 -0.025 0.000 0.207 404 K C 1.593 178.114 176.600 -0.131 0.000 1.049 404 K CA 1.787 58.056 56.287 -0.029 0.000 0.931 404 K CB -0.520 32.057 32.500 0.128 0.000 0.714 404 K HN 0.074 nan 8.250 nan 0.000 0.440 405 D N 0.864 121.239 120.400 -0.043 0.000 2.144 405 D HA -0.143 4.483 4.640 -0.025 0.000 0.199 405 D C 1.883 177.900 176.300 -0.473 0.000 0.984 405 D CA 1.317 55.263 54.000 -0.090 0.000 0.834 405 D CB -0.254 40.635 40.800 0.149 0.000 0.955 405 D HN 0.216 nan 8.370 nan 0.000 0.465 406 A N 0.938 123.327 122.820 -0.718 0.000 1.883 406 A HA -0.162 4.143 4.320 -0.025 0.000 0.217 406 A C 2.404 179.638 177.584 -0.583 0.000 1.186 406 A CA 1.041 52.390 52.037 -1.148 0.000 0.624 406 A CB -0.793 17.871 19.000 -0.559 0.000 0.822 406 A HN 0.186 nan 8.150 nan 0.000 0.444 407 I N -1.030 119.252 120.570 -0.479 0.000 2.226 407 I HA -0.240 3.915 4.170 -0.025 0.000 0.245 407 I C 2.730 178.682 176.117 -0.275 0.000 1.100 407 I CA 1.676 62.737 61.300 -0.398 0.000 1.374 407 I CB -0.294 37.375 38.000 -0.552 0.000 1.057 407 I HN 0.385 nan 8.210 nan 0.000 0.413 408 R N 0.376 120.729 120.500 -0.246 0.000 2.148 408 R HA -0.135 4.190 4.340 -0.025 0.000 0.227 408 R C 2.042 178.266 176.300 -0.127 0.000 1.103 408 R CA 1.694 57.700 56.100 -0.157 0.000 0.983 408 R CB -0.142 30.088 30.300 -0.117 0.000 0.874 408 R HN 0.263 nan 8.270 nan 0.000 0.451 409 T N 0.807 115.263 114.554 -0.163 0.000 2.851 409 T HA 0.023 4.358 4.350 -0.025 0.000 0.262 409 T C 1.776 176.459 174.700 -0.028 0.000 1.043 409 T CA 1.144 63.203 62.100 -0.068 0.000 1.140 409 T CB 0.004 68.846 68.868 -0.043 0.000 0.872 409 T HN 0.164 nan 8.240 nan 0.000 0.446 410 I N 0.013 120.537 120.570 -0.077 0.000 2.353 410 I HA 0.029 4.184 4.170 -0.025 0.000 0.248 410 I C 0.632 176.690 176.117 -0.098 0.000 1.119 410 I CA 0.894 62.147 61.300 -0.078 0.000 1.417 410 I CB 0.226 38.144 38.000 -0.137 0.000 1.078 410 I HN 0.095 nan 8.210 nan 0.000 0.421 411 L N 1.426 122.580 121.223 -0.114 0.000 2.502 411 L HA 0.342 4.667 4.340 -0.025 0.000 0.249 411 L C -1.954 174.861 176.870 -0.092 0.000 1.446 411 L CA -1.285 53.492 54.840 -0.104 0.000 0.887 411 L CB 0.730 42.718 42.059 -0.119 0.000 1.126 411 L HN -0.191 nan 8.230 nan 0.000 0.509 412 P HA -0.108 nan 4.420 nan 0.000 0.218 412 P C 1.374 178.640 177.300 -0.056 0.000 1.149 412 P CA 1.332 64.394 63.100 -0.064 0.000 0.817 412 P CB 0.209 31.879 31.700 -0.049 0.000 0.785 413 S N -0.524 115.143 115.700 -0.055 0.000 2.447 413 S HA 0.111 4.566 4.470 -0.025 0.000 0.233 413 S C 1.475 176.045 174.600 -0.050 0.000 1.006 413 S CA 0.793 58.964 58.200 -0.048 0.000 0.957 413 S CB -0.675 62.497 63.200 -0.047 0.000 0.773 413 S HN 0.173 nan 8.310 nan 0.000 0.507 414 A N -0.155 122.628 122.820 -0.062 0.000 3.045 414 A HA 0.862 5.168 4.320 -0.025 0.000 0.244 414 A C 1.199 178.741 177.584 -0.070 0.000 0.917 414 A CA 0.050 52.051 52.037 -0.060 0.000 1.075 414 A CB -0.263 18.697 19.000 -0.067 0.000 1.202 414 A HN 0.449 nan 8.150 nan 0.000 0.486 415 A N 0.472 123.249 122.820 -0.072 0.000 1.877 415 A HA -0.138 4.167 4.320 -0.025 0.000 0.216 415 A C 1.726 179.263 177.584 -0.079 0.000 1.186 415 A CA 1.892 53.873 52.037 -0.095 0.000 0.620 415 A CB -0.344 18.600 19.000 -0.092 0.000 0.822 415 A HN 0.636 nan 8.150 nan 0.000 0.443 416 E N -0.529 119.648 120.200 -0.039 0.000 2.110 416 E HA -0.201 4.135 4.350 -0.025 0.000 0.193 416 E C 2.022 178.633 176.600 0.019 0.000 0.988 416 E CA 1.390 57.788 56.400 -0.003 0.000 0.804 416 E CB -0.140 29.570 29.700 0.017 0.000 0.745 416 E HN 0.674 nan 8.360 nan 0.000 0.458 417 E N 0.725 120.928 120.200 0.005 0.000 2.047 417 E HA -0.156 4.180 4.350 -0.025 0.000 0.191 417 E C 1.873 178.491 176.600 0.031 0.000 0.987 417 E CA 0.445 56.860 56.400 0.026 0.000 0.799 417 E CB -0.156 29.538 29.700 -0.011 0.000 0.752 417 E HN 0.062 nan 8.360 nan 0.000 0.449 418 L N 1.399 122.606 121.223 -0.026 0.000 2.083 418 L HA -0.164 4.162 4.340 -0.025 0.000 0.209 418 L C 1.753 178.618 176.870 -0.007 0.000 1.083 418 L CA 1.831 56.657 54.840 -0.023 0.000 0.752 418 L CB -0.377 41.621 42.059 -0.101 0.000 0.899 418 L HN 0.119 nan 8.230 nan 0.000 0.433 419 E N -1.340 118.819 120.200 -0.068 0.000 2.058 419 E HA -0.301 4.034 4.350 -0.025 0.000 0.194 419 E C 2.354 179.059 176.600 0.174 0.000 0.997 419 E CA 1.641 58.015 56.400 -0.044 0.000 0.801 419 E CB -0.490 29.192 29.700 -0.031 0.000 0.746 419 E HN 0.705 nan 8.360 nan 0.000 0.450 420 C N 0.466 119.866 119.300 0.168 0.000 2.413 420 C HA -0.199 4.247 4.460 -0.025 0.000 0.277 420 C C 2.511 177.689 174.990 0.313 0.000 1.228 420 C CA 0.927 60.094 59.018 0.247 0.000 1.731 420 C CB -1.191 26.721 27.740 0.287 0.000 2.042 420 C HN 0.488 nan 8.230 nan 0.000 0.468 421 F N 2.113 122.069 119.950 0.010 0.000 2.102 421 F HA 0.036 4.550 4.527 -0.023 0.000 0.298 421 F C 2.295 178.033 175.800 -0.103 0.000 1.105 421 F CA 1.920 59.726 58.000 -0.323 0.000 1.239 421 F CB -0.716 37.992 39.000 -0.486 0.000 0.991 421 F HN 0.265 nan 8.300 nan 0.000 0.474 422 A N 0.179 123.007 122.820 0.014 0.000 1.969 422 A HA -0.167 4.138 4.320 -0.025 0.000 0.218 422 A C 2.283 179.975 177.584 0.180 0.000 1.169 422 A CA 1.510 53.592 52.037 0.076 0.000 0.635 422 A CB -0.757 18.422 19.000 0.299 0.000 0.810 422 A HN 0.444 nan 8.150 nan 0.000 0.445 423 M N -0.432 119.284 119.600 0.194 0.000 2.213 423 M HA -0.112 4.353 4.480 -0.025 0.000 0.263 423 M C 0.964 177.179 176.300 -0.142 0.000 1.062 423 M CA 1.480 56.769 55.300 -0.018 0.000 1.105 423 M CB -0.847 31.623 32.600 -0.218 0.000 1.385 423 M HN 0.540 nan 8.290 nan 0.000 0.417 424 H N -1.443 117.712 119.070 0.142 0.000 2.520 424 H HA 0.304 4.845 4.556 -0.025 0.000 0.284 424 H C -0.074 175.281 175.328 0.044 0.000 1.037 424 H CA 0.014 56.152 56.048 0.150 0.000 1.168 424 H CB 0.013 29.962 29.762 0.312 0.000 1.497 424 H HN 0.314 nan 8.280 nan 0.000 0.547 425 N N 0.667 119.353 118.700 -0.024 0.000 2.757 425 N HA 0.138 4.863 4.740 -0.025 0.000 0.296 425 N C 0.013 175.512 175.510 -0.017 0.000 1.874 425 N CA 0.081 53.055 53.050 -0.127 0.000 0.885 425 N CB 1.415 39.578 38.487 -0.540 0.000 1.242 425 N HN 0.043 nan 8.380 nan 0.000 0.488 426 S N -0.717 115.031 115.700 0.080 0.000 2.741 426 S HA 0.044 4.499 4.470 -0.025 0.000 0.245 426 S C 0.403 175.093 174.600 0.151 0.000 1.083 426 S CA -0.091 58.184 58.200 0.125 0.000 0.873 426 S CB 0.949 64.209 63.200 0.100 0.000 0.814 426 S HN 0.373 nan 8.310 nan 0.000 0.476 427 D N 0.629 121.114 120.400 0.142 0.000 2.354 427 D HA 0.341 4.966 4.640 -0.025 0.000 0.247 427 D C 0.478 176.831 176.300 0.089 0.000 1.138 427 D CA -0.206 53.861 54.000 0.112 0.000 0.958 427 D CB 0.825 41.688 40.800 0.104 0.000 1.144 427 D HN -0.097 nan 8.370 nan 0.000 0.458 428 L N 1.186 122.390 121.223 -0.032 0.000 2.554 428 L HA 0.341 4.666 4.340 -0.025 0.000 0.225 428 L C 1.361 177.896 176.870 -0.560 0.000 1.104 428 L CA 0.680 55.370 54.840 -0.251 0.000 0.866 428 L CB -0.615 41.408 42.059 -0.059 0.000 1.047 428 L HN 0.743 nan 8.230 nan 0.000 0.468 429 G N 0.049 108.714 108.800 -0.226 0.000 2.915 429 G HA2 -0.209 3.736 3.960 -0.025 0.000 0.337 429 G HA3 -0.209 3.736 3.960 -0.025 0.000 0.337 429 G C -2.472 172.403 174.900 -0.043 0.000 1.477 429 G CA -1.066 43.982 45.100 -0.087 0.000 0.916 429 G HN 0.027 nan 8.290 nan 0.000 0.550 430 P HA 0.211 nan 4.420 nan 0.000 0.261 430 P C 0.121 177.451 177.300 0.050 0.000 1.173 430 P CA 0.823 63.948 63.100 0.041 0.000 0.760 430 P CB 0.287 32.016 31.700 0.048 0.000 0.783 431 N N -0.120 118.629 118.700 0.081 0.000 2.825 431 N HA 0.439 5.164 4.740 -0.025 0.000 0.253 431 N C 0.926 176.485 175.510 0.082 0.000 1.426 431 N CA -1.008 52.111 53.050 0.116 0.000 0.851 431 N CB 0.117 38.745 38.487 0.235 0.000 1.470 431 N HN 0.144 nan 8.380 nan 0.000 0.517 432 G N -1.356 107.456 108.800 0.019 0.000 2.448 432 G HA2 -0.183 3.762 3.960 -0.025 0.000 0.218 432 G HA3 -0.183 3.762 3.960 -0.025 0.000 0.218 432 G C 0.521 175.324 174.900 -0.161 0.000 1.135 432 G CA 0.583 45.623 45.100 -0.100 0.000 0.784 432 G HN 0.662 nan 8.290 nan 0.000 0.543 433 H N 0.326 119.378 119.070 -0.029 0.000 2.551 433 H HA 0.112 4.645 4.556 -0.039 0.000 0.266 433 H C 2.341 177.677 175.328 0.013 0.000 0.977 433 H CA 0.378 56.369 56.048 -0.096 0.000 1.163 433 H CB -0.031 29.536 29.762 -0.325 0.000 1.381 433 H HN 0.390 nan 8.280 nan 0.000 0.581 434 G N 0.796 109.695 108.800 0.164 0.000 2.187 434 G HA2 -0.333 3.613 3.960 -0.025 0.000 0.261 434 G HA3 -0.333 3.613 3.960 -0.025 0.000 0.261 434 G C -0.062 174.946 174.900 0.181 0.000 1.000 434 G CA 0.623 45.805 45.100 0.136 0.000 0.718 434 G HN 0.534 nan 8.290 nan 0.000 0.519 435 Y N 1.714 122.074 120.300 0.099 0.000 2.341 435 Y HA 0.693 5.220 4.550 -0.038 0.000 0.340 435 Y C 0.500 176.448 175.900 0.080 0.000 0.997 435 Y CA -1.161 56.984 58.100 0.074 0.000 1.149 435 Y CB 0.646 39.152 38.460 0.076 0.000 1.171 435 Y HN 0.171 nan 8.280 nan 0.000 0.494 436 R N 4.983 125.261 120.500 -0.369 0.000 2.892 436 R HA 0.623 4.948 4.340 -0.025 0.000 0.265 436 R C -0.889 175.186 176.300 -0.375 0.000 1.025 436 R CA -1.156 54.796 56.100 -0.246 0.000 0.982 436 R CB 1.887 32.129 30.300 -0.097 0.000 1.185 436 R HN 0.679 nan 8.270 nan 0.000 0.484 437 R N 0.618 121.035 120.500 -0.140 0.000 2.771 437 R HA 0.327 4.652 4.340 -0.025 0.000 0.274 437 R C -0.232 176.100 176.300 0.053 0.000 0.987 437 R CA -1.003 55.073 56.100 -0.040 0.000 0.908 437 R CB 1.544 31.853 30.300 0.015 0.000 1.213 437 R HN 0.496 nan 8.270 nan 0.000 0.468 438 E N 1.768 122.032 120.200 0.107 0.000 2.408 438 E HA 0.096 4.431 4.350 -0.025 0.000 0.259 438 E C -0.501 176.134 176.600 0.057 0.000 1.110 438 E CA 0.353 56.786 56.400 0.054 0.000 0.929 438 E CB 0.890 30.589 29.700 -0.001 0.000 0.971 438 E HN 0.434 nan 8.360 nan 0.000 0.438 439 E N -0.488 119.752 120.200 0.067 0.000 2.363 439 E HA 0.161 4.496 4.350 -0.025 0.000 0.281 439 E C -1.088 175.579 176.600 0.112 0.000 0.953 439 E CA -0.301 56.153 56.400 0.090 0.000 0.778 439 E CB 0.859 30.633 29.700 0.123 0.000 1.220 439 E HN 0.397 nan 8.360 nan 0.000 0.431 440 S N 2.318 118.098 115.700 0.132 0.000 3.561 440 S HA -0.235 4.221 4.470 -0.025 0.000 0.318 440 S C 0.973 175.639 174.600 0.110 0.000 1.181 440 S CA 1.234 59.568 58.200 0.224 0.000 0.916 440 S CB -1.281 62.108 63.200 0.315 0.000 0.966 440 S HN 0.719 nan 8.310 nan 0.000 0.550 441 M N 1.155 120.779 119.600 0.040 0.000 2.159 441 M HA -0.186 4.280 4.480 -0.025 0.000 0.263 441 M C 2.288 178.577 176.300 -0.017 0.000 1.063 441 M CA 2.152 57.455 55.300 0.005 0.000 1.110 441 M CB -0.508 32.081 32.600 -0.019 0.000 1.374 441 M HN 0.589 nan 8.290 nan 0.000 0.411 442 D N 1.410 121.788 120.400 -0.036 0.000 2.154 442 D HA -0.251 4.375 4.640 -0.025 0.000 0.190 442 D C 1.479 177.774 176.300 -0.008 0.000 1.003 442 D CA 2.267 56.245 54.000 -0.036 0.000 0.849 442 D CB -0.917 39.869 40.800 -0.024 0.000 0.942 442 D HN 0.668 nan 8.370 nan 0.000 0.446 443 I N -3.033 117.554 120.570 0.029 0.000 3.968 443 I HA 0.171 4.327 4.170 -0.025 0.000 0.328 443 I C 2.484 178.605 176.117 0.007 0.000 1.290 443 I CA -0.245 61.057 61.300 0.003 0.000 1.163 443 I CB -0.182 37.809 38.000 -0.014 0.000 1.024 443 I HN -0.094 nan 8.210 nan 0.000 0.413 444 Q N 2.252 122.069 119.800 0.028 0.000 2.135 444 Q HA -0.121 4.205 4.340 -0.025 0.000 0.204 444 Q C -0.516 175.510 176.000 0.042 0.000 0.981 444 Q CA 2.207 58.033 55.803 0.040 0.000 0.856 444 Q CB -0.831 27.933 28.738 0.044 0.000 0.902 444 Q HN 0.395 nan 8.270 nan 0.000 0.425 445 P HA -0.110 nan 4.420 nan 0.000 0.215 445 P C 0.834 178.171 177.300 0.062 0.000 1.157 445 P CA 2.035 65.160 63.100 0.041 0.000 0.863 445 P CB -0.242 31.472 31.700 0.023 0.000 0.787 446 A N -0.100 122.747 122.820 0.045 0.000 1.933 446 A HA -0.094 4.211 4.320 -0.025 0.000 0.218 446 A C 2.309 179.951 177.584 0.097 0.000 1.175 446 A CA 2.084 54.157 52.037 0.059 0.000 0.628 446 A CB -1.585 17.415 19.000 -0.001 0.000 0.814 446 A HN 0.190 nan 8.150 nan 0.000 0.444 447 A N -0.457 122.399 122.820 0.061 0.000 1.845 447 A HA -0.199 4.106 4.320 -0.025 0.000 0.215 447 A C 2.044 179.740 177.584 0.186 0.000 1.195 447 A CA 1.732 53.827 52.037 0.097 0.000 0.616 447 A CB -0.681 18.351 19.000 0.053 0.000 0.832 447 A HN 0.596 nan 8.150 nan 0.000 0.443 448 E N -0.520 119.763 120.200 0.138 0.000 2.097 448 E HA -0.238 4.097 4.350 -0.025 0.000 0.196 448 E C 2.354 179.053 176.600 0.166 0.000 1.000 448 E CA 1.260 57.742 56.400 0.136 0.000 0.804 448 E CB -0.114 29.644 29.700 0.096 0.000 0.740 448 E HN 0.525 nan 8.360 nan 0.000 0.454 449 R N -0.632 119.973 120.500 0.175 0.000 2.075 449 R HA -0.131 4.194 4.340 -0.025 0.000 0.232 449 R C 2.313 178.769 176.300 0.259 0.000 1.126 449 R CA 1.214 57.425 56.100 0.185 0.000 0.963 449 R CB -0.383 30.019 30.300 0.170 0.000 0.858 449 R HN 0.210 nan 8.270 nan 0.000 0.435 450 F N 1.633 121.689 119.950 0.176 0.000 2.051 450 F HA -0.190 4.322 4.527 -0.025 0.000 0.296 450 F C 2.047 178.082 175.800 0.391 0.000 1.122 450 F CA 1.469 59.629 58.000 0.267 0.000 1.201 450 F CB -0.427 38.687 39.000 0.190 0.000 0.978 450 F HN -0.115 nan 8.300 nan 0.000 0.472 451 L N 0.365 121.827 121.223 0.398 0.000 2.013 451 L HA -0.320 4.005 4.340 -0.025 0.000 0.212 451 L C 2.602 179.624 176.870 0.252 0.000 1.073 451 L CA 2.131 57.148 54.840 0.294 0.000 0.753 451 L CB -0.841 41.349 42.059 0.218 0.000 0.890 451 L HN 0.151 nan 8.230 nan 0.000 0.432 452 K N 0.190 120.702 120.400 0.186 0.000 2.063 452 K HA -0.208 4.097 4.320 -0.025 0.000 0.208 452 K C 1.984 178.643 176.600 0.099 0.000 1.048 452 K CA 1.428 57.794 56.287 0.131 0.000 0.928 452 K CB -0.145 32.418 32.500 0.104 0.000 0.713 452 K HN 0.312 nan 8.250 nan 0.000 0.442 453 A N -0.193 122.661 122.820 0.056 0.000 2.225 453 A HA -0.067 4.239 4.320 -0.025 0.000 0.215 453 A C 1.489 178.940 177.584 -0.223 0.000 1.164 453 A CA 0.950 52.932 52.037 -0.091 0.000 0.710 453 A CB -0.441 18.471 19.000 -0.146 0.000 0.780 453 A HN 0.332 nan 8.150 nan 0.000 0.473 454 F N -0.939 119.020 119.950 0.016 0.000 2.315 454 F HA 0.152 4.664 4.527 -0.025 0.000 0.284 454 F C 2.090 177.962 175.800 0.119 0.000 1.049 454 F CA 1.054 59.107 58.000 0.090 0.000 1.323 454 F CB -0.259 38.756 39.000 0.025 0.000 1.113 454 F HN 0.008 nan 8.300 nan 0.000 0.544 455 K N 0.602 121.159 120.400 0.261 0.000 2.144 455 K HA -0.258 4.047 4.320 -0.025 0.000 0.209 455 K C 1.473 178.150 176.600 0.129 0.000 1.047 455 K CA 2.154 58.541 56.287 0.167 0.000 0.927 455 K CB -0.107 32.469 32.500 0.128 0.000 0.716 455 K HN 0.374 nan 8.250 nan 0.000 0.454 456 E N -2.066 118.193 120.200 0.098 0.000 2.364 456 E HA 0.066 4.401 4.350 -0.025 0.000 0.196 456 E C 0.585 177.207 176.600 0.036 0.000 0.990 456 E CA 0.441 56.874 56.400 0.055 0.000 0.886 456 E CB 0.747 30.466 29.700 0.031 0.000 0.866 456 E HN 0.488 nan 8.360 nan 0.000 0.493 457 G N 1.832 110.653 108.800 0.034 0.000 2.164 457 G HA2 -0.230 3.715 3.960 -0.025 0.000 0.212 457 G HA3 -0.230 3.715 3.960 -0.025 0.000 0.212 457 G C -0.177 174.665 174.900 -0.096 0.000 1.031 457 G CA 0.069 45.162 45.100 -0.013 0.000 0.730 457 G HN 0.060 nan 8.290 nan 0.000 0.501 458 K N -0.551 119.771 120.400 -0.129 0.000 2.280 458 K HA 0.565 4.870 4.320 -0.025 0.000 0.234 458 K C 0.009 176.468 176.600 -0.235 0.000 1.028 458 K CA -1.096 55.102 56.287 -0.149 0.000 0.882 458 K CB 0.553 32.995 32.500 -0.097 0.000 1.194 458 K HN 0.070 nan 8.250 nan 0.000 0.458 459 N N 1.749 120.319 118.700 -0.218 0.000 2.470 459 N HA 0.069 4.794 4.740 -0.025 0.000 0.268 459 N C -1.101 174.257 175.510 -0.252 0.000 1.136 459 N CA -0.090 52.778 53.050 -0.304 0.000 0.961 459 N CB 0.103 38.427 38.487 -0.271 0.000 1.067 459 N HN 0.345 nan 8.380 nan 0.000 0.468 460 Y N -0.794 119.377 120.300 -0.215 0.000 2.397 460 Y HA 0.283 4.818 4.550 -0.024 0.000 0.335 460 Y C 0.536 176.475 175.900 0.065 0.000 1.213 460 Y CA -1.294 56.757 58.100 -0.081 0.000 1.391 460 Y CB 0.259 38.670 38.460 -0.081 0.000 1.293 460 Y HN 0.383 nan 8.280 nan 0.000 0.557 461 D N 2.186 122.776 120.400 0.317 0.000 2.390 461 D HA 0.032 4.657 4.640 -0.025 0.000 0.249 461 D C 0.922 177.461 176.300 0.398 0.000 1.144 461 D CA -0.086 54.056 54.000 0.238 0.000 0.880 461 D CB 1.212 42.119 40.800 0.179 0.000 1.182 461 D HN 0.756 nan 8.370 nan 0.000 0.451 462 K N 2.931 123.483 120.400 0.254 0.000 2.057 462 K HA -0.182 4.124 4.320 -0.025 0.000 0.207 462 K C 1.738 178.522 176.600 0.308 0.000 1.049 462 K CA 1.220 57.688 56.287 0.303 0.000 0.931 462 K CB -0.116 32.469 32.500 0.141 0.000 0.714 462 K HN 0.519 nan 8.250 nan 0.000 0.440 463 A N 1.570 124.510 122.820 0.199 0.000 1.978 463 A HA -0.212 4.093 4.320 -0.025 0.000 0.220 463 A C 1.542 179.207 177.584 0.136 0.000 1.170 463 A CA 2.100 54.220 52.037 0.138 0.000 0.636 463 A CB -0.484 18.566 19.000 0.084 0.000 0.810 463 A HN 0.396 nan 8.150 nan 0.000 0.448 464 D N -1.174 119.341 120.400 0.192 0.000 2.103 464 D HA -0.101 4.524 4.640 -0.025 0.000 0.199 464 D C 1.614 177.938 176.300 0.039 0.000 0.978 464 D CA 1.080 55.160 54.000 0.133 0.000 0.829 464 D CB -0.570 40.378 40.800 0.246 0.000 0.981 464 D HN 0.473 nan 8.370 nan 0.000 0.464 465 F N 1.933 121.908 119.950 0.041 0.000 2.091 465 F HA -0.235 4.278 4.527 -0.024 0.000 0.299 465 F C 2.109 177.853 175.800 -0.094 0.000 1.103 465 F CA 1.750 59.690 58.000 -0.099 0.000 1.228 465 F CB 0.020 39.125 39.000 0.174 0.000 0.984 465 F HN -0.069 nan 8.300 nan 0.000 0.477 466 E N -1.002 119.307 120.200 0.181 0.000 2.107 466 E HA -0.150 4.186 4.350 -0.025 0.000 0.191 466 E C 2.089 178.663 176.600 -0.045 0.000 0.982 466 E CA 1.601 58.058 56.400 0.095 0.000 0.809 466 E CB -0.332 29.462 29.700 0.158 0.000 0.756 466 E HN 0.353 nan 8.360 nan 0.000 0.459 467 T N 1.362 115.869 114.554 -0.078 0.000 2.821 467 T HA -0.083 4.252 4.350 -0.025 0.000 0.267 467 T C 1.870 176.427 174.700 -0.239 0.000 1.046 467 T CA 0.746 62.777 62.100 -0.116 0.000 1.139 467 T CB -0.089 68.718 68.868 -0.103 0.000 0.871 467 T HN 0.080 nan 8.240 nan 0.000 0.454 468 L N 0.518 121.481 121.223 -0.433 0.000 2.056 468 L HA -0.094 4.231 4.340 -0.025 0.000 0.207 468 L C 2.914 179.206 176.870 -0.963 0.000 1.078 468 L CA 1.272 55.624 54.840 -0.814 0.000 0.749 468 L CB -0.583 40.936 42.059 -0.901 0.000 0.901 468 L HN 0.266 nan 8.230 nan 0.000 0.433 469 Q N -0.676 118.764 119.800 -0.601 0.000 2.014 469 Q HA -0.301 4.025 4.340 -0.025 0.000 0.207 469 Q C 2.188 178.076 176.000 -0.186 0.000 0.993 469 Q CA 2.444 58.053 55.803 -0.323 0.000 0.850 469 Q CB -0.410 28.222 28.738 -0.176 0.000 0.916 469 Q HN 0.469 nan 8.270 nan 0.000 0.417 470 Y N 0.999 121.168 120.300 -0.219 0.000 2.165 470 Y HA -0.276 4.259 4.550 -0.025 0.000 0.286 470 Y C 2.307 178.122 175.900 -0.141 0.000 1.155 470 Y CA 1.931 59.954 58.100 -0.127 0.000 1.164 470 Y CB -0.272 38.134 38.460 -0.089 0.000 0.978 470 Y HN 0.045 nan 8.280 nan 0.000 0.513 471 T N 0.882 115.385 114.554 -0.085 0.000 2.708 471 T HA -0.171 4.164 4.350 -0.025 0.000 0.266 471 T C 1.450 176.036 174.700 -0.191 0.000 1.037 471 T CA 1.788 63.793 62.100 -0.157 0.000 1.146 471 T CB -0.568 68.137 68.868 -0.272 0.000 0.865 471 T HN 0.268 nan 8.240 nan 0.000 0.435 472 F N 1.557 121.393 119.950 -0.191 0.000 2.134 472 F HA 0.008 4.520 4.527 -0.025 0.000 0.299 472 F C 2.470 178.150 175.800 -0.201 0.000 1.097 472 F CA 0.449 58.312 58.000 -0.229 0.000 1.264 472 F CB -1.015 37.845 39.000 -0.233 0.000 1.001 472 F HN 0.273 nan 8.300 nan 0.000 0.479 473 E N 0.632 120.810 120.200 -0.037 0.000 2.058 473 E HA -0.270 4.065 4.350 -0.025 0.000 0.194 473 E C 2.514 179.032 176.600 -0.138 0.000 0.997 473 E CA 1.375 57.714 56.400 -0.102 0.000 0.801 473 E CB -0.154 29.457 29.700 -0.149 0.000 0.746 473 E HN 0.314 nan 8.360 nan 0.000 0.450 474 R N -0.183 120.175 120.500 -0.238 0.000 2.120 474 R HA -0.119 4.206 4.340 -0.025 0.000 0.234 474 R C 2.407 178.729 176.300 0.038 0.000 1.123 474 R CA 1.548 57.554 56.100 -0.157 0.000 0.975 474 R CB -0.098 30.062 30.300 -0.233 0.000 0.866 474 R HN 0.268 nan 8.270 nan 0.000 0.446 475 M N 0.224 119.854 119.600 0.050 0.000 2.086 475 M HA -0.178 4.287 4.480 -0.025 0.000 0.261 475 M C 2.192 178.574 176.300 0.137 0.000 1.067 475 M CA 1.795 57.165 55.300 0.117 0.000 1.116 475 M CB -0.150 32.280 32.600 -0.283 0.000 1.348 475 M HN 0.059 nan 8.290 nan 0.000 0.407 476 K N 0.305 120.718 120.400 0.021 0.000 2.002 476 K HA -0.174 4.131 4.320 -0.025 0.000 0.209 476 K C 1.852 178.482 176.600 0.050 0.000 1.048 476 K CA 1.634 57.935 56.287 0.024 0.000 0.930 476 K CB -0.240 32.250 32.500 -0.018 0.000 0.714 476 K HN 0.417 nan 8.250 nan 0.000 0.438 477 E N 0.338 120.554 120.200 0.027 0.000 2.070 477 E HA -0.183 4.153 4.350 -0.025 0.000 0.197 477 E C 2.118 178.745 176.600 0.045 0.000 1.004 477 E CA 1.638 58.050 56.400 0.020 0.000 0.805 477 E CB -0.027 29.669 29.700 -0.007 0.000 0.744 477 E HN 0.178 nan 8.360 nan 0.000 0.451 478 S N 0.589 116.350 115.700 0.102 0.000 2.368 478 S HA -0.108 4.347 4.470 -0.025 0.000 0.224 478 S C 2.119 176.756 174.600 0.061 0.000 1.029 478 S CA 0.802 59.064 58.200 0.104 0.000 0.988 478 S CB -0.174 63.152 63.200 0.210 0.000 0.838 478 S HN 0.389 nan 8.310 nan 0.000 0.462 479 A N 2.452 125.367 122.820 0.158 0.000 1.865 479 A HA -0.197 4.108 4.320 -0.025 0.000 0.217 479 A C 1.856 179.430 177.584 -0.017 0.000 1.191 479 A CA 1.851 53.935 52.037 0.077 0.000 0.623 479 A CB -0.811 18.330 19.000 0.235 0.000 0.826 479 A HN 0.353 nan 8.150 nan 0.000 0.444 480 D N -0.150 120.258 120.400 0.013 0.000 2.117 480 D HA -0.105 4.521 4.640 -0.025 0.000 0.197 480 D C 1.885 178.165 176.300 -0.033 0.000 0.987 480 D CA 1.236 55.231 54.000 -0.008 0.000 0.829 480 D CB -0.326 40.476 40.800 0.004 0.000 0.961 480 D HN 0.529 nan 8.370 nan 0.000 0.460 481 I N 0.484 121.034 120.570 -0.034 0.000 2.252 481 I HA -0.203 3.952 4.170 -0.025 0.000 0.245 481 I C 2.442 178.510 176.117 -0.081 0.000 1.102 481 I CA 0.523 61.795 61.300 -0.047 0.000 1.385 481 I CB -0.075 37.904 38.000 -0.034 0.000 1.064 481 I HN -0.041 nan 8.210 nan 0.000 0.414 482 L N 0.129 121.282 121.223 -0.118 0.000 2.017 482 L HA -0.242 4.084 4.340 -0.025 0.000 0.208 482 L C 2.568 179.331 176.870 -0.177 0.000 1.073 482 L CA 1.374 56.106 54.840 -0.181 0.000 0.745 482 L CB -0.557 41.320 42.059 -0.303 0.000 0.894 482 L HN 0.262 nan 8.230 nan 0.000 0.432 483 L N -0.939 120.182 121.223 -0.170 0.000 2.089 483 L HA -0.276 4.049 4.340 -0.025 0.000 0.213 483 L C 2.216 179.027 176.870 -0.098 0.000 1.079 483 L CA 1.291 56.042 54.840 -0.148 0.000 0.758 483 L CB -0.292 41.698 42.059 -0.114 0.000 0.891 483 L HN 0.398 nan 8.230 nan 0.000 0.433 484 M N -1.269 118.285 119.600 -0.077 0.000 2.431 484 M HA 0.083 4.549 4.480 -0.025 0.000 0.237 484 M C 0.519 176.783 176.300 -0.059 0.000 1.130 484 M CA 0.083 55.350 55.300 -0.056 0.000 1.002 484 M CB -0.923 31.654 32.600 -0.040 0.000 1.524 484 M HN 0.174 nan 8.290 nan 0.000 0.482 485 N N 1.831 120.485 118.700 -0.077 0.000 2.513 485 N HA 0.025 4.750 4.740 -0.025 0.000 0.268 485 N C 0.521 175.990 175.510 -0.069 0.000 1.180 485 N CA 0.798 53.803 53.050 -0.075 0.000 0.948 485 N CB 1.272 39.704 38.487 -0.092 0.000 1.083 485 N HN 0.216 nan 8.380 nan 0.000 0.455 486 T N -0.558 113.961 114.554 -0.058 0.000 3.084 486 T HA 0.100 4.435 4.350 -0.025 0.000 0.270 486 T C 1.081 175.749 174.700 -0.053 0.000 1.008 486 T CA -0.301 61.768 62.100 -0.052 0.000 0.900 486 T CB 0.135 68.979 68.868 -0.041 0.000 1.084 486 T HN 0.656 nan 8.240 nan 0.000 0.538 487 E N 1.644 121.808 120.200 -0.059 0.000 2.158 487 E HA -0.012 4.323 4.350 -0.025 0.000 0.191 487 E C 0.474 177.034 176.600 -0.068 0.000 0.982 487 E CA 0.427 56.792 56.400 -0.058 0.000 0.823 487 E CB 0.210 29.875 29.700 -0.058 0.000 0.766 487 E HN 0.341 nan 8.360 nan 0.000 0.468 488 N N 0.407 119.057 118.700 -0.082 0.000 2.750 488 N HA 0.117 4.842 4.740 -0.025 0.000 0.253 488 N C -0.353 175.099 175.510 -0.097 0.000 1.408 488 N CA -0.111 52.881 53.050 -0.096 0.000 0.780 488 N CB 0.772 39.190 38.487 -0.115 0.000 1.191 488 N HN -0.009 nan 8.380 nan 0.000 0.511 489 K N 0.650 121.001 120.400 -0.080 0.000 2.044 489 K HA -0.092 4.213 4.320 -0.025 0.000 0.210 489 K C -0.976 175.578 176.600 -0.077 0.000 1.049 489 K CA 1.762 58.006 56.287 -0.073 0.000 0.927 489 K CB -0.369 32.098 32.500 -0.055 0.000 0.713 489 K HN 0.352 nan 8.250 nan 0.000 0.443 490 P HA -0.185 nan 4.420 nan 0.000 0.215 490 P C 1.250 178.488 177.300 -0.102 0.000 1.153 490 P CA 0.865 63.914 63.100 -0.086 0.000 0.853 490 P CB 0.079 31.715 31.700 -0.106 0.000 0.788 491 L N -0.585 120.562 121.223 -0.128 0.000 1.990 491 L HA -0.187 4.138 4.340 -0.025 0.000 0.213 491 L C 2.047 178.838 176.870 -0.132 0.000 1.072 491 L CA 2.103 56.858 54.840 -0.141 0.000 0.755 491 L CB -1.313 40.653 42.059 -0.155 0.000 0.889 491 L HN -0.140 nan 8.230 nan 0.000 0.432 492 I N -0.978 119.514 120.570 -0.129 0.000 2.226 492 I HA -0.232 3.923 4.170 -0.025 0.000 0.245 492 I C 2.627 178.680 176.117 -0.107 0.000 1.100 492 I CA 1.176 62.391 61.300 -0.141 0.000 1.374 492 I CB -1.463 36.457 38.000 -0.132 0.000 1.057 492 I HN 0.134 nan 8.210 nan 0.000 0.413 493 V N 0.939 120.811 119.914 -0.070 0.000 2.287 493 V HA -0.281 3.824 4.120 -0.025 0.000 0.248 493 V C 2.490 178.583 176.094 -0.002 0.000 1.053 493 V CA 1.781 64.064 62.300 -0.029 0.000 1.027 493 V CB -0.671 31.145 31.823 -0.011 0.000 0.646 493 V HN 0.422 nan 8.190 nan 0.000 0.447 494 E N 0.119 120.305 120.200 -0.023 0.000 2.049 494 E HA -0.239 4.096 4.350 -0.025 0.000 0.198 494 E C 2.083 178.657 176.600 -0.044 0.000 1.007 494 E CA 2.073 58.460 56.400 -0.022 0.000 0.809 494 E CB -0.250 29.402 29.700 -0.080 0.000 0.749 494 E HN 0.828 nan 8.360 nan 0.000 0.450 495 I N -2.056 118.467 120.570 -0.079 0.000 3.226 495 I HA 0.025 4.181 4.170 -0.025 0.000 0.277 495 I C 1.937 178.100 176.117 0.078 0.000 1.243 495 I CA 0.434 61.723 61.300 -0.018 0.000 1.459 495 I CB -0.089 37.830 38.000 -0.136 0.000 1.093 495 I HN -0.124 nan 8.210 nan 0.000 0.453 496 T N 2.828 117.359 114.554 -0.039 0.000 2.649 496 T HA -0.121 4.215 4.350 -0.025 0.000 0.268 496 T C -0.385 174.239 174.700 -0.126 0.000 1.036 496 T CA 2.642 64.645 62.100 -0.162 0.000 1.157 496 T CB -1.143 67.639 68.868 -0.142 0.000 0.861 496 T HN 0.382 nan 8.240 nan 0.000 0.445 497 P HA -0.035 nan 4.420 nan 0.000 0.219 497 P C 1.261 178.533 177.300 -0.046 0.000 1.150 497 P CA 0.849 63.934 63.100 -0.025 0.000 0.814 497 P CB -0.160 31.389 31.700 -0.251 0.000 0.787 498 W N -0.785 120.539 121.300 0.040 0.000 2.436 498 W HA -0.060 4.585 4.660 -0.025 0.000 0.284 498 W C 1.854 178.509 176.519 0.227 0.000 1.225 498 W CA 0.521 57.961 57.345 0.158 0.000 1.271 498 W CB -0.869 28.726 29.460 0.226 0.000 1.114 498 W HN -0.197 nan 8.180 nan 0.000 0.559 499 V N 0.069 120.083 119.914 0.166 0.000 2.295 499 V HA -0.327 3.778 4.120 -0.025 0.000 0.246 499 V C 2.271 178.408 176.094 0.073 0.000 1.049 499 V CA 1.872 64.116 62.300 -0.093 0.000 1.024 499 V CB -1.126 30.428 31.823 -0.448 0.000 0.648 499 V HN 0.154 nan 8.190 nan 0.000 0.447 500 H N -0.321 118.796 119.070 0.078 0.000 2.352 500 H HA -0.199 4.342 4.556 -0.025 0.000 0.299 500 H C 2.379 177.751 175.328 0.072 0.000 1.097 500 H CA 2.256 58.333 56.048 0.049 0.000 1.311 500 H CB -0.215 29.550 29.762 0.005 0.000 1.377 500 H HN 0.418 nan 8.280 nan 0.000 0.504 501 Q N 0.040 119.969 119.800 0.216 0.000 2.123 501 Q HA -0.082 4.244 4.340 -0.025 0.000 0.199 501 Q C 2.193 178.310 176.000 0.195 0.000 0.966 501 Q CA 0.886 56.773 55.803 0.140 0.000 0.845 501 Q CB -0.432 28.346 28.738 0.067 0.000 0.907 501 Q HN 0.338 nan 8.270 nan 0.000 0.439 502 F N 0.795 120.839 119.950 0.156 0.000 2.134 502 F HA -0.159 4.353 4.527 -0.025 0.000 0.299 502 F C 2.082 177.934 175.800 0.087 0.000 1.097 502 F CA 1.849 59.954 58.000 0.176 0.000 1.264 502 F CB -0.099 39.144 39.000 0.404 0.000 1.001 502 F HN 0.025 nan 8.300 nan 0.000 0.479 503 K N 0.380 120.917 120.400 0.228 0.000 2.026 503 K HA -0.170 4.135 4.320 -0.025 0.000 0.208 503 K C 2.163 178.724 176.600 -0.065 0.000 1.048 503 K CA 1.743 58.066 56.287 0.059 0.000 0.929 503 K CB -0.387 32.177 32.500 0.107 0.000 0.713 503 K HN 0.367 nan 8.250 nan 0.000 0.439 504 L N 0.631 121.830 121.223 -0.040 0.000 2.042 504 L HA -0.216 4.110 4.340 -0.025 0.000 0.210 504 L C 2.422 179.164 176.870 -0.214 0.000 1.076 504 L CA 1.737 56.503 54.840 -0.122 0.000 0.749 504 L CB -0.683 41.318 42.059 -0.096 0.000 0.893 504 L HN 0.322 nan 8.230 nan 0.000 0.432 505 T N -0.181 114.250 114.554 -0.205 0.000 2.665 505 T HA -0.256 4.079 4.350 -0.025 0.000 0.268 505 T C 1.963 176.394 174.700 -0.449 0.000 1.035 505 T CA 1.504 63.428 62.100 -0.294 0.000 1.151 505 T CB -0.337 68.387 68.868 -0.240 0.000 0.862 505 T HN 0.488 nan 8.240 nan 0.000 0.438 506 A N 1.522 124.088 122.820 -0.424 0.000 1.873 506 A HA -0.126 4.180 4.320 -0.025 0.000 0.215 506 A C 2.226 179.532 177.584 -0.464 0.000 1.186 506 A CA 1.648 53.415 52.037 -0.450 0.000 0.616 506 A CB -0.565 18.268 19.000 -0.278 0.000 0.823 506 A HN 0.589 nan 8.150 nan 0.000 0.442 507 E N -0.912 119.088 120.200 -0.333 0.000 2.077 507 E HA -0.217 4.119 4.350 -0.025 0.000 0.193 507 E C 2.047 178.393 176.600 -0.423 0.000 0.989 507 E CA 1.368 57.581 56.400 -0.313 0.000 0.800 507 E CB -0.280 29.274 29.700 -0.243 0.000 0.746 507 E HN 0.700 nan 8.360 nan 0.000 0.452 508 M N 0.540 119.868 119.600 -0.454 0.000 2.108 508 M HA -0.144 4.321 4.480 -0.025 0.000 0.261 508 M C 2.226 178.199 176.300 -0.545 0.000 1.066 508 M CA 2.022 57.036 55.300 -0.477 0.000 1.107 508 M CB -0.280 32.058 32.600 -0.437 0.000 1.356 508 M HN 0.192 nan 8.290 nan 0.000 0.406 509 G N -0.156 108.141 108.800 -0.839 0.000 2.440 509 G HA2 -0.234 3.711 3.960 -0.025 0.000 0.218 509 G HA3 -0.234 3.711 3.960 -0.025 0.000 0.218 509 G C 1.256 175.701 174.900 -0.759 0.000 1.154 509 G CA 1.083 45.357 45.100 -1.377 0.000 0.767 509 G HN 0.598 nan 8.290 nan 0.000 0.552 510 E N 0.173 120.077 120.200 -0.494 0.000 2.072 510 E HA -0.092 4.243 4.350 -0.025 0.000 0.191 510 E C 2.522 179.052 176.600 -0.116 0.000 0.985 510 E CA 0.896 57.211 56.400 -0.141 0.000 0.801 510 E CB -0.011 29.634 29.700 -0.091 0.000 0.750 510 E HN 0.320 nan 8.360 nan 0.000 0.452 511 E N 0.516 120.585 120.200 -0.219 0.000 2.106 511 E HA -0.112 4.223 4.350 -0.025 0.000 0.192 511 E C 2.322 178.858 176.600 -0.107 0.000 0.984 511 E CA 0.566 56.851 56.400 -0.190 0.000 0.806 511 E CB -0.244 29.235 29.700 -0.369 0.000 0.750 511 E HN 0.112 nan 8.360 nan 0.000 0.458 512 V N 1.698 121.538 119.914 -0.123 0.000 2.358 512 V HA -0.215 3.890 4.120 -0.025 0.000 0.246 512 V C 2.495 178.644 176.094 0.092 0.000 1.047 512 V CA 1.220 63.515 62.300 -0.009 0.000 1.035 512 V CB -0.494 31.316 31.823 -0.021 0.000 0.658 512 V HN 0.199 nan 8.190 nan 0.000 0.452 513 L N -0.546 120.728 121.223 0.085 0.000 2.046 513 L HA -0.210 4.115 4.340 -0.025 0.000 0.208 513 L C 2.586 179.698 176.870 0.402 0.000 1.077 513 L CA 1.721 56.696 54.840 0.224 0.000 0.747 513 L CB -0.717 41.303 42.059 -0.064 0.000 0.896 513 L HN 0.285 nan 8.230 nan 0.000 0.432 514 K N -0.091 120.482 120.400 0.289 0.000 2.113 514 K HA -0.201 4.104 4.320 -0.025 0.000 0.208 514 K C 2.112 178.933 176.600 0.368 0.000 1.047 514 K CA 1.586 58.083 56.287 0.349 0.000 0.928 514 K CB -0.200 32.462 32.500 0.271 0.000 0.716 514 K HN 0.285 nan 8.250 nan 0.000 0.446 515 M N 0.268 119.999 119.600 0.219 0.000 2.213 515 M HA -0.162 4.303 4.480 -0.025 0.000 0.263 515 M C 2.093 178.662 176.300 0.450 0.000 1.062 515 M CA 1.131 56.547 55.300 0.193 0.000 1.105 515 M CB -0.190 32.345 32.600 -0.109 0.000 1.385 515 M HN -0.055 nan 8.290 nan 0.000 0.417 516 V N 0.156 120.334 119.914 0.440 0.000 2.343 516 V HA -0.204 3.901 4.120 -0.025 0.000 0.247 516 V C 0.658 177.051 176.094 0.498 0.000 1.051 516 V CA 1.406 64.024 62.300 0.530 0.000 1.036 516 V CB -0.663 31.536 31.823 0.627 0.000 0.654 516 V HN 0.466 nan 8.190 nan 0.000 0.451 517 E N 1.080 121.536 120.200 0.426 0.000 2.159 517 E HA 0.351 4.686 4.350 -0.025 0.000 0.272 517 E C 0.888 177.674 176.600 0.311 0.000 1.138 517 E CA 0.134 56.710 56.400 0.294 0.000 0.915 517 E CB 0.507 30.329 29.700 0.202 0.000 1.028 517 E HN 0.463 nan 8.360 nan 0.000 0.423 521 E N 0.682 120.959 120.200 0.128 0.000 2.299 521 E HA -0.051 4.284 4.350 -0.025 0.000 0.193 521 E C 0.806 177.466 176.600 0.100 0.000 0.998 521 E CA 1.233 57.611 56.400 -0.037 0.000 0.851 521 E CB 0.295 29.698 29.700 -0.494 0.000 0.795 521 E HN 0.526 nan 8.360 nan 0.000 0.492 522 S N -0.868 114.912 115.700 0.133 0.000 2.503 522 S HA -0.067 4.388 4.470 -0.025 0.000 0.217 522 S C 1.760 176.468 174.600 0.179 0.000 0.999 522 S CA -0.158 58.119 58.200 0.127 0.000 0.914 522 S CB -0.281 62.976 63.200 0.096 0.000 0.782 522 S HN 0.457 nan 8.310 nan 0.000 0.520 523 Y N 1.451 121.824 120.300 0.122 0.000 2.206 523 Y HA 0.140 4.675 4.550 -0.025 0.000 0.292 523 Y C 1.862 177.844 175.900 0.138 0.000 1.123 523 Y CA 1.139 59.310 58.100 0.119 0.000 1.142 523 Y CB -0.671 37.871 38.460 0.138 0.000 1.006 523 Y HN 0.293 nan 8.280 nan 0.000 0.518 524 F N 0.366 120.433 119.950 0.194 0.000 2.154 524 F HA -0.290 4.222 4.527 -0.025 0.000 0.301 524 F C 1.838 177.570 175.800 -0.113 0.000 1.087 524 F CA 1.759 59.788 58.000 0.049 0.000 1.274 524 F CB -0.378 38.681 39.000 0.098 0.000 1.009 524 F HN 0.084 nan 8.300 nan 0.000 0.485 525 L N -0.142 121.138 121.223 0.096 0.000 1.994 525 L HA -0.225 4.100 4.340 -0.025 0.000 0.208 525 L C 2.678 179.531 176.870 -0.028 0.000 1.071 525 L CA 1.541 56.387 54.840 0.010 0.000 0.745 525 L CB -0.720 41.366 42.059 0.046 0.000 0.892 525 L HN 0.013 nan 8.230 nan 0.000 0.431 526 R N 0.006 120.463 120.500 -0.072 0.000 2.113 526 R HA -0.194 4.131 4.340 -0.025 0.000 0.244 526 R C 2.349 178.554 176.300 -0.159 0.000 1.142 526 R CA 1.413 57.440 56.100 -0.122 0.000 0.953 526 R CB -0.304 29.901 30.300 -0.160 0.000 0.860 526 R HN 0.263 nan 8.270 nan 0.000 0.438 527 K N -0.144 120.088 120.400 -0.279 0.000 2.097 527 K HA -0.171 4.134 4.320 -0.025 0.000 0.205 527 K C 1.954 178.435 176.600 -0.199 0.000 1.050 527 K CA 1.206 57.333 56.287 -0.268 0.000 0.938 527 K CB -0.506 31.764 32.500 -0.385 0.000 0.718 527 K HN 0.297 nan 8.250 nan 0.000 0.442 528 Y N 2.477 122.545 120.300 -0.386 0.000 2.114 528 Y HA -0.218 4.317 4.550 -0.025 0.000 0.284 528 Y C 1.752 177.592 175.900 -0.101 0.000 1.143 528 Y CA 1.843 59.783 58.100 -0.266 0.000 1.135 528 Y CB -0.629 37.596 38.460 -0.392 0.000 0.980 528 Y HN 0.155 nan 8.280 nan 0.000 0.499 529 N N -1.176 117.444 118.700 -0.133 0.000 2.149 529 N HA -0.274 4.451 4.740 -0.025 0.000 0.188 529 N C 1.869 177.281 175.510 -0.164 0.000 1.019 529 N CA 1.199 54.139 53.050 -0.184 0.000 0.857 529 N CB -0.439 38.022 38.487 -0.044 0.000 0.997 529 N HN 0.562 nan 8.380 nan 0.000 0.426 530 H N 0.186 119.114 119.070 -0.237 0.000 2.353 530 H HA -0.068 4.473 4.556 -0.024 0.000 0.300 530 H C 1.957 177.117 175.328 -0.280 0.000 1.090 530 H CA 1.002 56.912 56.048 -0.230 0.000 1.327 530 H CB 0.211 29.849 29.762 -0.207 0.000 1.383 530 H HN -0.001 nan 8.280 nan 0.000 0.508 531 V N 1.269 121.034 119.914 -0.249 0.000 2.358 531 V HA -0.232 3.873 4.120 -0.025 0.000 0.246 531 V C 2.339 178.150 176.094 -0.472 0.000 1.047 531 V CA 1.542 63.602 62.300 -0.401 0.000 1.035 531 V CB -0.316 31.293 31.823 -0.357 0.000 0.658 531 V HN 0.377 nan 8.190 nan 0.000 0.452 532 K N 0.802 120.907 120.400 -0.493 0.000 2.074 532 K HA -0.176 4.129 4.320 -0.025 0.000 0.209 532 K C 2.268 178.655 176.600 -0.355 0.000 1.048 532 K CA 1.839 57.851 56.287 -0.457 0.000 0.926 532 K CB -1.122 31.110 32.500 -0.447 0.000 0.713 532 K HN 0.495 nan 8.250 nan 0.000 0.444 533 A N 1.268 123.931 122.820 -0.262 0.000 1.902 533 A HA -0.112 4.194 4.320 -0.025 0.000 0.217 533 A C 2.401 179.837 177.584 -0.247 0.000 1.181 533 A CA 1.282 53.197 52.037 -0.203 0.000 0.623 533 A CB -0.612 18.322 19.000 -0.111 0.000 0.818 533 A HN 0.202 nan 8.150 nan 0.000 0.443 534 L N -1.000 120.056 121.223 -0.279 0.000 2.056 534 L HA -0.250 4.075 4.340 -0.025 0.000 0.207 534 L C 2.902 179.513 176.870 -0.432 0.000 1.078 534 L CA 1.561 56.209 54.840 -0.321 0.000 0.749 534 L CB -0.695 41.147 42.059 -0.363 0.000 0.901 534 L HN 0.480 nan 8.230 nan 0.000 0.433 535 Q N -0.267 119.190 119.800 -0.572 0.000 2.061 535 Q HA -0.297 4.028 4.340 -0.025 0.000 0.204 535 Q C 2.283 177.544 176.000 -1.231 0.000 0.984 535 Q CA 1.784 57.044 55.803 -0.905 0.000 0.846 535 Q CB -0.197 27.991 28.738 -0.916 0.000 0.902 535 Q HN 0.537 nan 8.270 nan 0.000 0.421 536 Q N 0.250 119.579 119.800 -0.786 0.000 2.135 536 Q HA -0.218 4.107 4.340 -0.025 0.000 0.204 536 Q C 2.090 177.931 176.000 -0.265 0.000 0.981 536 Q CA 1.318 56.835 55.803 -0.476 0.000 0.856 536 Q CB 0.014 28.615 28.738 -0.228 0.000 0.902 536 Q HN 0.443 nan 8.270 nan 0.000 0.425 537 Q N -0.395 119.250 119.800 -0.259 0.000 2.167 537 Q HA -0.094 4.232 4.340 -0.025 0.000 0.202 537 Q C 2.011 177.970 176.000 -0.069 0.000 0.970 537 Q CA 0.979 56.700 55.803 -0.136 0.000 0.855 537 Q CB 0.035 28.678 28.738 -0.157 0.000 0.911 537 Q HN 0.461 nan 8.270 nan 0.000 0.438 538 M N -0.517 118.976 119.600 -0.180 0.000 2.156 538 M HA -0.112 4.353 4.480 -0.025 0.000 0.264 538 M C 1.616 177.970 176.300 0.091 0.000 1.067 538 M CA 1.159 56.406 55.300 -0.088 0.000 1.131 538 M CB -0.173 32.328 32.600 -0.164 0.000 1.368 538 M HN 0.152 nan 8.290 nan 0.000 0.416 539 F N -0.261 119.665 119.950 -0.041 0.000 2.095 539 F HA -0.259 4.253 4.527 -0.024 0.000 0.298 539 F C 2.442 178.236 175.800 -0.011 0.000 1.104 539 F CA 1.094 59.073 58.000 -0.034 0.000 1.232 539 F CB -1.796 37.186 39.000 -0.030 0.000 0.987 539 F HN 0.150 nan 8.300 nan 0.000 0.475 540 Y N 0.603 120.957 120.300 0.090 0.000 2.128 540 Y HA -0.228 4.308 4.550 -0.024 0.000 0.284 540 Y C 2.400 178.285 175.900 -0.025 0.000 1.154 540 Y CA 1.645 59.751 58.100 0.011 0.000 1.149 540 Y CB -0.564 37.877 38.460 -0.031 0.000 0.976 540 Y HN 0.008 nan 8.280 nan 0.000 0.505 541 I N 0.016 120.617 120.570 0.052 0.000 2.286 541 I HA -0.279 3.877 4.170 -0.025 0.000 0.248 541 I C 1.967 177.985 176.117 -0.165 0.000 1.115 541 I CA 1.875 63.129 61.300 -0.077 0.000 1.392 541 I CB -0.435 37.553 38.000 -0.020 0.000 1.065 541 I HN 0.234 nan 8.210 nan 0.000 0.418 542 D N 0.104 120.445 120.400 -0.099 0.000 2.264 542 D HA -0.171 4.454 4.640 -0.025 0.000 0.208 542 D C 2.103 178.322 176.300 -0.135 0.000 0.966 542 D CA 1.022 54.957 54.000 -0.108 0.000 0.864 542 D CB 0.223 41.004 40.800 -0.031 0.000 0.933 542 D HN 0.223 nan 8.370 nan 0.000 0.499 543 Q N -1.371 118.324 119.800 -0.174 0.000 2.396 543 Q HA 0.093 4.418 4.340 -0.025 0.000 0.209 543 Q C 1.653 177.497 176.000 -0.260 0.000 0.906 543 Q CA 1.107 56.796 55.803 -0.189 0.000 0.927 543 Q CB 0.907 29.547 28.738 -0.162 0.000 1.069 543 Q HN 0.479 nan 8.270 nan 0.000 0.523 544 T N -4.073 110.260 114.554 -0.367 0.000 2.955 544 T HA 0.248 4.584 4.350 -0.025 0.000 0.251 544 T C 0.962 175.520 174.700 -0.236 0.000 1.002 544 T CA -0.236 61.646 62.100 -0.364 0.000 0.970 544 T CB 0.387 68.873 68.868 -0.637 0.000 1.091 544 T HN -0.151 nan 8.240 nan 0.000 0.495 545 S N 2.983 118.547 115.700 -0.226 0.000 2.585 545 S HA 0.500 4.955 4.470 -0.025 0.000 0.277 545 S C 0.201 174.696 174.600 -0.174 0.000 1.241 545 S CA -0.448 57.641 58.200 -0.185 0.000 1.041 545 S CB 0.834 63.898 63.200 -0.228 0.000 0.987 545 S HN 0.602 nan 8.310 nan 0.000 0.512 546 N N 1.954 120.587 118.700 -0.111 0.000 2.688 546 N HA -0.168 4.557 4.740 -0.025 0.000 0.258 546 N C -0.675 174.823 175.510 -0.020 0.000 1.016 546 N CA 0.315 53.346 53.050 -0.031 0.000 0.747 546 N CB -0.690 37.757 38.487 -0.067 0.000 0.895 546 N HN 0.456 nan 8.380 nan 0.000 0.543 547 Q N 0.604 120.385 119.800 -0.032 0.000 3.247 547 Q HA 0.105 4.431 4.340 -0.025 0.000 0.326 547 Q C 0.192 176.174 176.000 -0.030 0.000 1.402 547 Q CA -0.180 55.597 55.803 -0.043 0.000 0.994 547 Q CB -0.842 27.857 28.738 -0.066 0.000 1.647 547 Q HN 0.783 nan 8.270 nan 0.000 0.523 548 N N -1.081 117.619 118.700 -0.001 0.000 2.444 548 N HA 0.129 4.854 4.740 -0.025 0.000 0.255 548 N C -2.023 173.400 175.510 -0.144 0.000 1.255 548 N CA -1.099 51.938 53.050 -0.022 0.000 0.933 548 N CB 0.485 39.030 38.487 0.096 0.000 1.143 548 N HN -0.146 nan 8.380 nan 0.000 0.453 549 P HA -0.010 nan 4.420 nan 0.000 0.237 549 P C -0.257 176.695 177.300 -0.580 0.000 1.178 549 P CA 1.065 63.809 63.100 -0.593 0.000 0.766 549 P CB -0.026 31.097 31.700 -0.962 0.000 0.876 550 Y N -1.224 119.095 120.300 0.030 0.000 2.569 550 Y HA 0.292 4.829 4.550 -0.022 0.000 0.278 550 Y C 0.784 176.707 175.900 0.039 0.000 1.130 550 Y CA 0.156 58.274 58.100 0.029 0.000 1.280 550 Y CB -0.415 38.064 38.460 0.032 0.000 1.379 550 Y HN -0.238 nan 8.280 nan 0.000 0.508 551 Q N 1.410 121.333 119.800 0.204 0.000 3.064 551 Q HA 0.320 4.645 4.340 -0.025 0.000 0.258 551 Q C -2.864 173.203 176.000 0.112 0.000 0.972 551 Q CA -2.119 53.772 55.803 0.146 0.000 0.761 551 Q CB 1.536 30.377 28.738 0.171 0.000 1.281 551 Q HN 0.059 nan 8.270 nan 0.000 0.455 552 P HA 0.416 nan 4.420 nan 0.000 0.271 552 P C 0.418 177.715 177.300 -0.004 0.000 1.218 552 P CA 0.615 63.722 63.100 0.012 0.000 0.780 552 P CB 1.355 33.036 31.700 -0.031 0.000 0.901 553 G N 0.216 108.987 108.800 -0.048 0.000 2.466 553 G HA2 0.038 3.984 3.960 -0.025 0.000 0.316 553 G HA3 0.038 3.984 3.960 -0.025 0.000 0.316 553 G C -1.705 173.073 174.900 -0.202 0.000 1.270 553 G CA -0.484 44.546 45.100 -0.117 0.000 0.982 553 G HN 0.523 nan 8.290 nan 0.000 0.506 554 V N 1.597 121.351 119.914 -0.266 0.000 2.567 554 V HA 0.640 4.746 4.120 -0.025 0.000 0.298 554 V C -0.672 175.274 176.094 -0.246 0.000 1.047 554 V CA -0.979 61.017 62.300 -0.505 0.000 0.880 554 V CB 1.733 33.085 31.823 -0.784 0.000 1.009 554 V HN 0.778 nan 8.190 nan 0.000 0.429 555 K N 2.123 122.449 120.400 -0.123 0.000 2.316 555 K HA 0.840 5.145 4.320 -0.025 0.000 0.251 555 K C -0.537 176.064 176.600 0.001 0.000 0.934 555 K CA -0.582 55.636 56.287 -0.114 0.000 0.802 555 K CB 2.579 34.896 32.500 -0.306 0.000 1.171 555 K HN 0.678 nan 8.250 nan 0.000 0.426 556 T N -0.942 113.648 114.554 0.059 0.000 2.868 556 T HA 0.487 4.822 4.350 -0.025 0.000 0.306 556 T C -0.875 173.911 174.700 0.144 0.000 1.224 556 T CA 0.294 62.497 62.100 0.170 0.000 1.012 556 T CB 0.981 70.052 68.868 0.338 0.000 1.221 556 T HN 0.679 nan 8.240 nan 0.000 0.499 557 A N 1.497 124.431 122.820 0.190 0.000 2.665 557 A HA -0.188 4.117 4.320 -0.025 0.000 0.301 557 A C 1.447 179.103 177.584 0.119 0.000 1.509 557 A CA 2.211 54.349 52.037 0.167 0.000 0.789 557 A CB -2.630 16.433 19.000 0.106 0.000 1.024 557 A HN 1.587 nan 8.150 nan 0.000 0.460 558 T N -2.882 111.756 114.554 0.140 0.000 2.951 558 T HA -0.065 4.271 4.350 -0.025 0.000 0.268 558 T C 1.651 176.430 174.700 0.132 0.000 1.073 558 T CA 1.325 63.510 62.100 0.141 0.000 1.134 558 T CB -0.116 68.887 68.868 0.225 0.000 0.884 558 T HN 0.695 nan 8.240 nan 0.000 0.479 559 R N 0.242 120.824 120.500 0.137 0.000 2.073 559 R HA 0.070 4.395 4.340 -0.025 0.000 0.229 559 R C 1.674 178.032 176.300 0.095 0.000 1.120 559 R CA 1.377 57.545 56.100 0.114 0.000 0.967 559 R CB 0.056 30.422 30.300 0.111 0.000 0.862 559 R HN 0.387 nan 8.270 nan 0.000 0.436 560 V N -1.125 118.847 119.914 0.096 0.000 3.103 560 V HA 0.052 4.157 4.120 -0.025 0.000 0.229 560 V C 1.771 177.905 176.094 0.067 0.000 1.304 560 V CA 0.148 62.497 62.300 0.082 0.000 1.298 560 V CB 0.096 31.971 31.823 0.086 0.000 1.093 560 V HN 0.135 nan 8.190 nan 0.000 0.489 561 I N 0.642 121.246 120.570 0.056 0.000 2.233 561 I HA -0.166 3.989 4.170 -0.025 0.000 0.243 561 I C 2.496 178.628 176.117 0.026 0.000 1.093 561 I CA 1.583 62.905 61.300 0.037 0.000 1.380 561 I CB -0.160 37.829 38.000 -0.018 0.000 1.067 561 I HN 0.220 nan 8.210 nan 0.000 0.413 562 K N 1.193 121.602 120.400 0.016 0.000 2.057 562 K HA -0.106 4.199 4.320 -0.025 0.000 0.206 562 K C -0.741 175.868 176.600 0.014 0.000 1.050 562 K CA 1.613 57.897 56.287 -0.005 0.000 0.935 562 K CB -1.298 31.207 32.500 0.009 0.000 0.715 562 K HN 0.121 nan 8.250 nan 0.000 0.439 563 P HA -0.123 nan 4.420 nan 0.000 0.217 563 P C 1.256 178.588 177.300 0.054 0.000 1.150 563 P CA 0.888 64.018 63.100 0.050 0.000 0.832 563 P CB -0.028 31.710 31.700 0.063 0.000 0.787 564 L N -0.703 120.558 121.223 0.063 0.000 2.012 564 L HA -0.160 4.166 4.340 -0.025 0.000 0.210 564 L C 2.145 179.057 176.870 0.069 0.000 1.073 564 L CA 1.913 56.803 54.840 0.084 0.000 0.748 564 L CB -1.179 40.935 42.059 0.091 0.000 0.891 564 L HN -0.145 nan 8.230 nan 0.000 0.431 565 I N -0.230 120.357 120.570 0.029 0.000 2.179 565 I HA -0.256 3.899 4.170 -0.025 0.000 0.242 565 I C 2.089 178.210 176.117 0.006 0.000 1.088 565 I CA 1.407 62.693 61.300 -0.024 0.000 1.357 565 I CB -0.650 37.260 38.000 -0.150 0.000 1.051 565 I HN 0.280 nan 8.210 nan 0.000 0.409 566 D N 0.774 121.178 120.400 0.007 0.000 2.117 566 D HA -0.136 4.489 4.640 -0.025 0.000 0.197 566 D C 2.375 178.733 176.300 0.096 0.000 0.987 566 D CA 1.241 55.266 54.000 0.042 0.000 0.829 566 D CB -0.183 40.634 40.800 0.027 0.000 0.961 566 D HN 0.273 nan 8.370 nan 0.000 0.460 567 R N -0.198 120.338 120.500 0.059 0.000 2.153 567 R HA 0.026 4.351 4.340 -0.025 0.000 0.218 567 R C 2.178 178.458 176.300 -0.033 0.000 1.072 567 R CA 1.005 57.124 56.100 0.032 0.000 0.990 567 R CB -0.116 30.205 30.300 0.035 0.000 0.889 567 R HN 0.105 nan 8.270 nan 0.000 0.452 568 T N 0.879 115.415 114.554 -0.030 0.000 2.777 568 T HA -0.128 4.207 4.350 -0.025 0.000 0.266 568 T C 1.334 175.992 174.700 -0.071 0.000 1.040 568 T CA 1.084 63.099 62.100 -0.142 0.000 1.141 568 T CB -0.278 68.584 68.868 -0.010 0.000 0.868 568 T HN 0.158 nan 8.240 nan 0.000 0.444 569 F N 2.420 122.314 119.950 -0.092 0.000 2.069 569 F HA -0.066 4.446 4.527 -0.025 0.000 0.298 569 F C 2.506 178.289 175.800 -0.030 0.000 1.113 569 F CA 1.261 59.229 58.000 -0.053 0.000 1.214 569 F CB -0.656 38.310 39.000 -0.057 0.000 0.978 569 F HN 0.142 nan 8.300 nan 0.000 0.474 570 A N -0.695 122.183 122.820 0.095 0.000 1.978 570 A HA -0.173 4.132 4.320 -0.025 0.000 0.220 570 A C 2.138 179.621 177.584 -0.168 0.000 1.170 570 A CA 2.268 54.297 52.037 -0.013 0.000 0.636 570 A CB -1.367 17.676 19.000 0.071 0.000 0.810 570 A HN 0.492 nan 8.150 nan 0.000 0.448 571 T N -1.122 113.287 114.554 -0.242 0.000 2.732 571 T HA -0.088 4.248 4.350 -0.025 0.000 0.261 571 T C 1.852 176.174 174.700 -0.631 0.000 1.040 571 T CA 1.338 63.164 62.100 -0.457 0.000 1.145 571 T CB -0.527 68.042 68.868 -0.498 0.000 0.866 571 T HN 0.156 nan 8.240 nan 0.000 0.427 572 V N 1.486 121.175 119.914 -0.374 0.000 2.515 572 V HA -0.115 3.990 4.120 -0.025 0.000 0.250 572 V C 2.444 178.590 176.094 0.087 0.000 1.058 572 V CA 1.302 63.563 62.300 -0.066 0.000 1.064 572 V CB -0.408 31.511 31.823 0.161 0.000 0.675 572 V HN 0.319 nan 8.190 nan 0.000 0.461 573 V N -0.354 119.502 119.914 -0.096 0.000 2.358 573 V HA -0.223 3.883 4.120 -0.025 0.000 0.246 573 V C 2.469 178.578 176.094 0.024 0.000 1.047 573 V CA 2.236 64.498 62.300 -0.064 0.000 1.035 573 V CB -0.619 30.985 31.823 -0.366 0.000 0.658 573 V HN 0.477 nan 8.190 nan 0.000 0.452 574 K N -0.362 120.007 120.400 -0.053 0.000 2.002 574 K HA -0.115 4.190 4.320 -0.025 0.000 0.209 574 K C 1.877 178.572 176.600 0.159 0.000 1.048 574 K CA 1.586 57.883 56.287 0.017 0.000 0.930 574 K CB -0.515 31.954 32.500 -0.051 0.000 0.714 574 K HN 0.296 nan 8.250 nan 0.000 0.438 575 F N 0.018 120.015 119.950 0.079 0.000 2.091 575 F HA -0.199 4.313 4.527 -0.024 0.000 0.299 575 F C 2.197 178.015 175.800 0.029 0.000 1.103 575 F CA 0.866 58.901 58.000 0.057 0.000 1.228 575 F CB -1.248 37.809 39.000 0.096 0.000 0.984 575 F HN 0.015 nan 8.300 nan 0.000 0.477 576 F N 1.299 121.294 119.950 0.075 0.000 2.069 576 F HA -0.266 4.246 4.527 -0.025 0.000 0.298 576 F C 2.276 178.082 175.800 0.009 0.000 1.113 576 F CA 1.773 59.726 58.000 -0.079 0.000 1.214 576 F CB -0.521 38.185 39.000 -0.490 0.000 0.978 576 F HN -0.130 nan 8.300 nan 0.000 0.474 577 N N 0.440 119.295 118.700 0.257 0.000 2.149 577 N HA -0.208 4.517 4.740 -0.025 0.000 0.188 577 N C 1.789 177.281 175.510 -0.031 0.000 1.019 577 N CA 1.499 54.610 53.050 0.101 0.000 0.857 577 N CB -0.526 38.016 38.487 0.092 0.000 0.997 577 N HN 0.535 nan 8.380 nan 0.000 0.426 578 Q N 0.095 119.897 119.800 0.004 0.000 2.172 578 Q HA -0.044 4.281 4.340 -0.025 0.000 0.200 578 Q C 1.907 177.821 176.000 -0.143 0.000 0.964 578 Q CA 0.932 56.713 55.803 -0.036 0.000 0.855 578 Q CB 0.104 28.861 28.738 0.032 0.000 0.918 578 Q HN 0.340 nan 8.270 nan 0.000 0.444 579 K N -0.013 120.250 120.400 -0.228 0.000 1.991 579 K HA -0.072 4.234 4.320 -0.025 0.000 0.207 579 K C 0.859 177.091 176.600 -0.612 0.000 1.045 579 K CA 1.066 57.068 56.287 -0.476 0.000 0.937 579 K CB 0.114 32.210 32.500 -0.673 0.000 0.720 579 K HN 0.056 nan 8.250 nan 0.000 0.438 580 F N 1.285 120.940 119.950 -0.491 0.000 2.645 580 F HA 0.269 4.781 4.527 -0.025 0.000 0.300 580 F C -0.038 175.579 175.800 -0.304 0.000 1.115 580 F CA -0.233 57.502 58.000 -0.441 0.000 1.355 580 F CB -0.095 38.505 39.000 -0.666 0.000 1.026 580 F HN 0.136 nan 8.300 nan 0.000 0.536 581 N N 0.721 119.336 118.700 -0.142 0.000 2.727 581 N HA -0.191 4.534 4.740 -0.025 0.000 0.249 581 N C 0.075 175.439 175.510 -0.244 0.000 1.048 581 N CA 0.182 53.137 53.050 -0.160 0.000 0.714 581 N CB -0.587 37.840 38.487 -0.099 0.000 0.959 581 N HN 0.347 nan 8.380 nan 0.000 0.544 582 A N -0.426 122.270 122.820 -0.206 0.000 2.256 582 A HA 0.552 4.857 4.320 -0.025 0.000 0.318 582 A C 0.065 177.422 177.584 -0.378 0.000 1.103 582 A CA -0.221 51.711 52.037 -0.175 0.000 0.860 582 A CB 0.476 19.569 19.000 0.154 0.000 1.182 582 A HN 0.471 nan 8.150 nan 0.000 0.501 583 H N 0.058 119.184 119.070 0.093 0.000 2.591 583 H HA 0.333 4.874 4.556 -0.025 0.000 0.241 583 H C -0.767 174.595 175.328 0.057 0.000 1.292 583 H CA -0.402 55.690 56.048 0.072 0.000 1.022 583 H CB 0.006 29.805 29.762 0.062 0.000 1.875 583 H HN 0.401 nan 8.280 nan 0.000 0.570 584 L N 1.157 122.422 121.223 0.070 0.000 2.490 584 L HA -0.021 4.304 4.340 -0.025 0.000 0.274 584 L C 0.593 177.515 176.870 0.087 0.000 1.201 584 L CA 0.104 54.912 54.840 -0.053 0.000 0.869 584 L CB 0.385 42.166 42.059 -0.463 0.000 1.123 584 L HN 0.428 nan 8.230 nan 0.000 0.484 585 D N 2.369 122.901 120.400 0.221 0.000 2.358 585 D HA 0.176 4.801 4.640 -0.025 0.000 0.258 585 D C 0.550 177.056 176.300 0.344 0.000 1.223 585 D CA 0.013 54.172 54.000 0.266 0.000 0.886 585 D CB 1.530 42.492 40.800 0.270 0.000 1.120 585 D HN 0.555 nan 8.370 nan 0.000 0.482 586 A N 3.407 126.372 122.820 0.241 0.000 2.275 586 A HA 0.152 4.458 4.320 -0.025 0.000 0.212 586 A C 1.119 178.913 177.584 0.350 0.000 1.201 586 A CA 0.251 52.428 52.037 0.233 0.000 0.843 586 A CB -0.633 18.420 19.000 0.089 0.000 0.873 586 A HN 0.635 nan 8.150 nan 0.000 0.492 587 T N -1.378 113.360 114.554 0.306 0.000 2.766 587 T HA 0.499 4.834 4.350 -0.025 0.000 0.295 587 T C 0.325 175.158 174.700 0.222 0.000 1.024 587 T CA 0.391 62.626 62.100 0.226 0.000 1.018 587 T CB 1.048 70.007 68.868 0.153 0.000 1.002 587 T HN 0.600 nan 8.240 nan 0.000 0.532 588 T N 0.000 114.642 114.554 0.146 0.000 3.816 588 T HA 0.000 4.335 4.350 -0.025 0.000 0.228 588 T CA 0.000 62.163 62.100 0.105 0.000 1.349 588 T CB 0.000 68.888 68.868 0.033 0.000 0.612 588 T HN 0.000 nan 8.240 nan 0.000 0.658