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 2gqa_1_A DATA FIRST_RESID 2 DATA SEQUENCE TQSLFQPITL GALTLKNRIV MPPMTRSRAS QPGDVANHMM AIYYAQRASA DATA SEQUENCE GLIVSEGTQI SPTAKGYAWT PGIYTPEQIA GWRIVTEAVH AKGCAIFAQL DATA SEQUENCE WHVGRVTHPD NIDGQQPISS STLKAENVKV FVDNGSDEPG FVDVAVPRAM DATA SEQUENCE TKADIAQVIA DYRQAALNAM EAGFDGIELH AANGYLINQF IDSEANNRSD DATA SEQUENCE EYGGSLENRL RFLDEVVAAL VDAIGAERVG VRLAPLTTLN GTVDADPILT DATA SEQUENCE YTAAAALLNK HRIVYLHIAE VDWDDAPDTP VSFKRALREA YQGVLIYAGR DATA SEQUENCE YNAEKAEQAI NDGLADMIGF GRPFIANPDL PERLRHGYPL AEHVPATLFG DATA SEQUENCE GGEKGLTDYP TYQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.799 174.700 0.166 0.000 1.109 2 T CA 0.000 62.165 62.100 0.109 0.000 1.349 2 T CB 0.000 68.973 68.868 0.175 0.000 0.612 3 Q N 1.858 121.711 119.800 0.088 0.000 2.030 3 Q HA -0.080 3.874 4.340 -0.644 0.000 0.204 3 Q C 2.068 178.112 176.000 0.074 0.000 0.986 3 Q CA 2.354 58.208 55.803 0.084 0.000 0.843 3 Q CB -0.341 28.415 28.738 0.030 0.000 0.904 3 Q HN 0.589 nan 8.270 nan 0.000 0.420 4 S N 0.528 116.241 115.700 0.022 0.000 2.399 4 S HA -0.127 3.956 4.470 -0.644 0.000 0.231 4 S C 1.675 176.235 174.600 -0.065 0.000 1.022 4 S CA 0.773 58.964 58.200 -0.015 0.000 0.983 4 S CB -0.245 62.938 63.200 -0.028 0.000 0.803 4 S HN 0.339 nan 8.310 nan 0.000 0.480 5 L N 0.427 121.585 121.223 -0.108 0.000 2.191 5 L HA 0.090 4.043 4.340 -0.644 0.000 0.212 5 L C 0.689 177.221 176.870 -0.562 0.000 1.103 5 L CA 1.632 56.282 54.840 -0.316 0.000 0.769 5 L CB -0.473 41.365 42.059 -0.368 0.000 0.908 5 L HN 0.227 nan 8.230 nan 0.000 0.438 6 F N -0.683 119.244 119.950 -0.039 0.000 2.730 6 F HA 0.303 4.445 4.527 -0.642 0.000 0.295 6 F C 0.732 176.513 175.800 -0.033 0.000 1.143 6 F CA -0.541 57.435 58.000 -0.040 0.000 1.367 6 F CB -0.160 38.806 39.000 -0.057 0.000 0.970 6 F HN -0.011 nan 8.300 nan 0.000 0.514 7 Q N 2.279 122.090 119.800 0.018 0.000 2.230 7 Q HA 0.327 4.281 4.340 -0.644 0.000 0.253 7 Q C -2.288 173.705 176.000 -0.011 0.000 0.919 7 Q CA -2.011 53.800 55.803 0.014 0.000 0.908 7 Q CB 1.718 30.452 28.738 -0.007 0.000 1.245 7 Q HN 0.025 nan 8.270 nan 0.000 0.437 8 P HA 0.324 nan 4.420 nan 0.000 0.275 8 P C -0.513 176.774 177.300 -0.023 0.000 1.266 8 P CA -0.293 62.803 63.100 -0.007 0.000 0.793 8 P CB 1.197 32.901 31.700 0.007 0.000 1.074 9 I N -1.713 118.841 120.570 -0.026 0.000 2.787 9 I HA 0.211 3.994 4.170 -0.644 0.000 0.294 9 I C -1.046 175.058 176.117 -0.020 0.000 1.365 9 I CA -0.435 60.847 61.300 -0.031 0.000 1.029 9 I CB 2.257 40.224 38.000 -0.055 0.000 1.313 9 I HN 0.132 nan 8.210 nan 0.000 0.431 10 T N 7.114 121.661 114.554 -0.012 0.000 2.817 10 T HA 0.462 4.426 4.350 -0.644 0.000 0.293 10 T C -0.625 174.081 174.700 0.010 0.000 0.964 10 T CA -0.079 62.022 62.100 0.003 0.000 1.085 10 T CB 0.888 69.759 68.868 0.006 0.000 0.921 10 T HN 0.345 nan 8.240 nan 0.000 0.502 11 L N 4.229 125.469 121.223 0.029 0.000 2.417 11 L HA 0.581 4.535 4.340 -0.644 0.000 0.259 11 L C 0.740 177.671 176.870 0.102 0.000 1.023 11 L CA 0.662 55.537 54.840 0.059 0.000 0.901 11 L CB -0.171 41.906 42.059 0.031 0.000 1.227 11 L HN 0.906 nan 8.230 nan 0.000 0.454 12 G N 3.526 112.380 108.800 0.091 0.000 2.565 12 G HA2 -0.344 3.230 3.960 -0.644 0.000 0.295 12 G HA3 -0.344 3.230 3.960 -0.644 0.000 0.295 12 G C 0.749 175.688 174.900 0.064 0.000 1.165 12 G CA 0.425 45.578 45.100 0.088 0.000 0.977 12 G HN 1.326 nan 8.290 nan 0.000 0.546 13 A N -0.048 122.813 122.820 0.068 0.000 2.251 13 A HA 0.662 4.595 4.320 -0.644 0.000 0.209 13 A C 1.109 178.721 177.584 0.046 0.000 1.187 13 A CA 0.868 52.932 52.037 0.045 0.000 0.823 13 A CB -0.199 18.821 19.000 0.034 0.000 0.846 13 A HN 0.715 nan 8.150 nan 0.000 0.486 14 L N 0.228 121.491 121.223 0.068 0.000 2.360 14 L HA 0.452 4.406 4.340 -0.644 0.000 0.271 14 L C 0.199 177.093 176.870 0.040 0.000 1.057 14 L CA -0.460 54.417 54.840 0.062 0.000 0.803 14 L CB 1.778 43.898 42.059 0.102 0.000 1.207 14 L HN 0.192 nan 8.230 nan 0.000 0.445 15 T N 0.137 114.709 114.554 0.030 0.000 2.977 15 T HA 0.547 4.510 4.350 -0.644 0.000 0.346 15 T C -0.339 174.371 174.700 0.017 0.000 1.140 15 T CA -0.695 61.416 62.100 0.018 0.000 1.040 15 T CB 0.029 68.905 68.868 0.015 0.000 1.046 15 T HN 0.289 nan 8.240 nan 0.000 0.494 16 L N 2.765 123.992 121.223 0.007 0.000 2.436 16 L HA 0.379 4.332 4.340 -0.644 0.000 0.265 16 L C 1.787 178.659 176.870 0.004 0.000 1.168 16 L CA -0.795 54.046 54.840 0.001 0.000 0.815 16 L CB 0.649 42.690 42.059 -0.030 0.000 1.109 16 L HN 0.594 nan 8.230 nan 0.000 0.462 17 K N 1.088 121.498 120.400 0.017 0.000 2.155 17 K HA -0.069 3.865 4.320 -0.644 0.000 0.203 17 K C 0.084 176.702 176.600 0.031 0.000 1.052 17 K CA 1.082 57.389 56.287 0.034 0.000 0.948 17 K CB -0.031 32.503 32.500 0.056 0.000 0.728 17 K HN 0.790 nan 8.250 nan 0.000 0.448 18 N N -1.859 116.837 118.700 -0.007 0.000 3.243 18 N HA 0.176 4.530 4.740 -0.644 0.000 0.280 18 N C -0.389 175.051 175.510 -0.118 0.000 1.545 18 N CA -0.898 52.113 53.050 -0.065 0.000 0.854 18 N CB 0.613 39.045 38.487 -0.091 0.000 1.612 18 N HN -0.345 nan 8.380 nan 0.000 0.577 19 R N -0.310 120.075 120.500 -0.190 0.000 2.388 19 R HA 0.410 4.363 4.340 -0.644 0.000 0.247 19 R C -0.220 175.985 176.300 -0.158 0.000 0.931 19 R CA -0.207 55.788 56.100 -0.176 0.000 1.082 19 R CB -0.951 29.241 30.300 -0.180 0.000 1.135 19 R HN 0.617 nan 8.270 nan 0.000 0.525 20 I N 1.224 121.719 120.570 -0.125 0.000 2.371 20 I HA 0.131 3.914 4.170 -0.644 0.000 0.290 20 I C -0.031 176.122 176.117 0.060 0.000 1.028 20 I CA -0.550 60.765 61.300 0.025 0.000 1.345 20 I CB 1.555 39.555 38.000 -0.000 0.000 1.407 20 I HN -0.346 nan 8.210 nan 0.000 0.501 21 V N 7.141 127.103 119.914 0.081 0.000 2.555 21 V HA 0.350 4.084 4.120 -0.644 0.000 0.302 21 V C -0.013 176.170 176.094 0.149 0.000 1.038 21 V CA -0.750 61.541 62.300 -0.015 0.000 0.887 21 V CB 1.906 33.578 31.823 -0.252 0.000 0.991 21 V HN 0.702 nan 8.190 nan 0.000 0.434 22 M N 8.418 128.009 119.600 -0.015 0.000 2.069 22 M HA 0.411 4.504 4.480 -0.644 0.000 0.349 22 M C -2.447 173.827 176.300 -0.045 0.000 1.194 22 M CA -1.712 53.505 55.300 -0.137 0.000 1.081 22 M CB 1.394 33.585 32.600 -0.682 0.000 1.500 22 M HN 0.408 nan 8.290 nan 0.000 0.438 23 P HA 0.231 nan 4.420 nan 0.000 0.272 23 P C -2.842 174.480 177.300 0.037 0.000 1.240 23 P CA -1.095 62.045 63.100 0.068 0.000 0.791 23 P CB -0.485 31.268 31.700 0.088 0.000 0.978 24 P HA 0.151 nan 4.420 nan 0.000 0.267 24 P C -0.539 176.751 177.300 -0.018 0.000 1.209 24 P CA 0.788 63.870 63.100 -0.029 0.000 0.763 24 P CB 0.187 31.786 31.700 -0.169 0.000 0.816 25 M N 2.137 121.789 119.600 0.087 0.000 2.149 25 M HA 0.161 4.254 4.480 -0.644 0.000 0.273 25 M C -0.123 176.300 176.300 0.204 0.000 0.972 25 M CA -0.300 55.069 55.300 0.116 0.000 0.984 25 M CB 2.053 34.719 32.600 0.110 0.000 1.699 25 M HN 0.107 nan 8.290 nan 0.000 0.462 26 T N 3.471 118.162 114.554 0.229 0.000 2.867 26 T HA 0.139 4.102 4.350 -0.644 0.000 0.297 26 T C 1.068 176.039 174.700 0.452 0.000 0.989 26 T CA 0.151 62.461 62.100 0.349 0.000 1.159 26 T CB 0.437 69.523 68.868 0.363 0.000 0.928 26 T HN 0.502 nan 8.240 nan 0.000 0.538 27 R N 1.217 121.929 120.500 0.354 0.000 2.446 27 R HA 0.221 4.174 4.340 -0.644 0.000 0.254 27 R C 0.703 177.217 176.300 0.357 0.000 0.918 27 R CA -0.243 55.990 56.100 0.222 0.000 1.069 27 R CB -0.203 30.045 30.300 -0.087 0.000 1.194 27 R HN 0.689 nan 8.270 nan 0.000 0.534 28 S N 1.898 117.881 115.700 0.471 0.000 3.524 28 S HA -0.138 3.946 4.470 -0.644 0.000 0.377 28 S C 0.669 175.513 174.600 0.407 0.000 0.949 28 S CA 0.597 59.130 58.200 0.555 0.000 1.264 28 S CB -0.603 63.098 63.200 0.834 0.000 0.918 28 S HN 0.272 nan 8.310 nan 0.000 0.517 29 R N -0.598 120.034 120.500 0.221 0.000 2.508 29 R HA 0.371 4.324 4.340 -0.644 0.000 0.300 29 R C 0.786 177.113 176.300 0.045 0.000 0.970 29 R CA 0.483 56.622 56.100 0.065 0.000 1.102 29 R CB -0.040 30.241 30.300 -0.032 0.000 1.246 29 R HN 0.560 nan 8.270 nan 0.000 0.539 30 A N 1.441 124.334 122.820 0.123 0.000 2.498 30 A HA 0.221 4.154 4.320 -0.644 0.000 0.239 30 A C 0.306 177.916 177.584 0.044 0.000 1.068 30 A CA 0.136 52.210 52.037 0.062 0.000 0.766 30 A CB 0.280 19.341 19.000 0.102 0.000 1.003 30 A HN 0.191 nan 8.150 nan 0.000 0.497 31 S N 1.821 117.517 115.700 -0.008 0.000 2.562 31 S HA 0.262 4.346 4.470 -0.644 0.000 0.281 31 S C 0.045 174.659 174.600 0.023 0.000 1.333 31 S CA -0.235 57.958 58.200 -0.013 0.000 1.052 31 S CB 0.353 63.537 63.200 -0.027 0.000 0.884 31 S HN 0.670 nan 8.310 nan 0.000 0.506 32 Q N 2.408 122.221 119.800 0.021 0.000 2.309 32 Q HA 0.528 4.482 4.340 -0.644 0.000 0.264 32 Q C -1.961 174.057 176.000 0.030 0.000 1.008 32 Q CA -1.690 54.148 55.803 0.058 0.000 0.853 32 Q CB 0.786 29.580 28.738 0.093 0.000 1.314 32 Q HN 0.526 nan 8.270 nan 0.000 0.448 33 P HA 0.528 nan 4.420 nan 0.000 0.281 33 P C 0.201 177.524 177.300 0.039 0.000 1.281 33 P CA -0.141 62.992 63.100 0.055 0.000 0.811 33 P CB 0.980 32.709 31.700 0.048 0.000 1.154 34 G N -0.548 108.279 108.800 0.045 0.000 2.195 34 G HA2 -0.196 3.378 3.960 -0.644 0.000 0.224 34 G HA3 -0.196 3.378 3.960 -0.644 0.000 0.224 34 G C -0.023 174.874 174.900 -0.005 0.000 0.990 34 G CA 0.161 45.269 45.100 0.013 0.000 0.639 34 G HN 0.624 nan 8.290 nan 0.000 0.514 35 D N -0.596 119.829 120.400 0.041 0.000 2.735 35 D HA -0.134 4.119 4.640 -0.644 0.000 0.235 35 D C 0.536 176.816 176.300 -0.032 0.000 1.175 35 D CA 1.368 55.399 54.000 0.051 0.000 0.683 35 D CB -1.373 39.472 40.800 0.075 0.000 1.008 35 D HN 0.907 nan 8.370 nan 0.000 0.416 36 V N 0.053 119.932 119.914 -0.058 0.000 2.427 36 V HA 0.635 4.369 4.120 -0.644 0.000 0.286 36 V C 1.056 177.026 176.094 -0.207 0.000 1.034 36 V CA -0.848 61.371 62.300 -0.136 0.000 0.893 36 V CB 1.810 33.576 31.823 -0.096 0.000 0.982 36 V HN 0.442 nan 8.190 nan 0.000 0.452 37 A N 4.884 127.449 122.820 -0.423 0.000 2.531 37 A HA 0.467 4.401 4.320 -0.644 0.000 0.236 37 A C 0.356 177.779 177.584 -0.269 0.000 1.062 37 A CA 0.108 51.806 52.037 -0.565 0.000 0.760 37 A CB -0.252 17.989 19.000 -1.264 0.000 0.995 37 A HN 1.116 nan 8.150 nan 0.000 0.501 38 N N -0.493 118.114 118.700 -0.156 0.000 3.167 38 N HA 0.301 4.654 4.740 -0.644 0.000 0.323 38 N C 0.374 175.901 175.510 0.029 0.000 1.478 38 N CA -0.186 52.840 53.050 -0.041 0.000 0.753 38 N CB 0.105 38.581 38.487 -0.018 0.000 1.721 38 N HN 0.576 nan 8.380 nan 0.000 0.618 39 H N -0.113 118.947 119.070 -0.016 0.000 2.319 39 H HA -0.097 4.073 4.556 -0.643 0.000 0.299 39 H C 1.846 177.193 175.328 0.031 0.000 1.092 39 H CA 3.168 59.222 56.048 0.010 0.000 1.302 39 H CB -0.086 29.678 29.762 0.002 0.000 1.373 39 H HN 0.649 nan 8.280 nan 0.000 0.497 40 M N -1.291 118.287 119.600 -0.037 0.000 2.213 40 M HA -0.117 3.976 4.480 -0.644 0.000 0.263 40 M C 2.062 178.335 176.300 -0.045 0.000 1.062 40 M CA 2.002 57.251 55.300 -0.084 0.000 1.105 40 M CB -0.329 32.257 32.600 -0.023 0.000 1.385 40 M HN 0.225 nan 8.290 nan 0.000 0.417 41 M N 1.089 120.690 119.600 0.002 0.000 2.175 41 M HA -0.018 4.076 4.480 -0.644 0.000 0.264 41 M C 2.635 179.086 176.300 0.252 0.000 1.063 41 M CA 1.663 57.036 55.300 0.121 0.000 1.119 41 M CB -0.526 32.150 32.600 0.127 0.000 1.377 41 M HN 0.571 nan 8.290 nan 0.000 0.415 42 A N 0.733 123.625 122.820 0.120 0.000 1.902 42 A HA -0.139 3.795 4.320 -0.644 0.000 0.217 42 A C 2.029 179.645 177.584 0.052 0.000 1.181 42 A CA 1.300 53.407 52.037 0.116 0.000 0.623 42 A CB -0.681 18.334 19.000 0.025 0.000 0.818 42 A HN 0.361 nan 8.150 nan 0.000 0.443 43 I N -1.355 119.165 120.570 -0.083 0.000 2.179 43 I HA -0.219 3.564 4.170 -0.644 0.000 0.242 43 I C 2.405 178.543 176.117 0.035 0.000 1.088 43 I CA 1.570 62.828 61.300 -0.069 0.000 1.357 43 I CB -1.590 36.319 38.000 -0.152 0.000 1.051 43 I HN 0.587 nan 8.210 nan 0.000 0.409 44 Y N 1.454 121.700 120.300 -0.090 0.000 2.081 44 Y HA -0.329 3.826 4.550 -0.658 0.000 0.280 44 Y C 2.628 178.440 175.900 -0.147 0.000 1.163 44 Y CA 1.849 59.865 58.100 -0.139 0.000 1.135 44 Y CB -0.906 37.405 38.460 -0.249 0.000 0.970 44 Y HN 0.099 nan 8.280 nan 0.000 0.498 45 Y N -0.270 119.944 120.300 -0.144 0.000 2.263 45 Y HA -0.038 4.112 4.550 -0.667 0.000 0.292 45 Y C 2.711 178.500 175.900 -0.184 0.000 1.130 45 Y CA 1.183 59.123 58.100 -0.266 0.000 1.179 45 Y CB -1.112 37.314 38.460 -0.058 0.000 0.998 45 Y HN 0.243 nan 8.280 nan 0.000 0.532 46 A N -0.133 122.722 122.820 0.057 0.000 1.972 46 A HA -0.243 3.690 4.320 -0.644 0.000 0.219 46 A C 2.056 179.642 177.584 0.003 0.000 1.169 46 A CA 1.629 53.680 52.037 0.023 0.000 0.635 46 A CB -0.647 18.369 19.000 0.027 0.000 0.810 46 A HN 0.532 nan 8.150 nan 0.000 0.446 47 Q N -0.987 118.803 119.800 -0.017 0.000 2.291 47 Q HA -0.078 3.875 4.340 -0.644 0.000 0.206 47 Q C 1.271 177.276 176.000 0.008 0.000 0.976 47 Q CA 1.070 56.877 55.803 0.006 0.000 0.875 47 Q CB -0.023 28.727 28.738 0.019 0.000 0.927 47 Q HN 0.606 nan 8.270 nan 0.000 0.450 48 R N -0.861 119.595 120.500 -0.075 0.000 2.546 48 R HA 0.262 4.216 4.340 -0.644 0.000 0.320 48 R C 0.992 177.249 176.300 -0.072 0.000 1.021 48 R CA 0.061 56.113 56.100 -0.080 0.000 1.088 48 R CB 0.628 30.681 30.300 -0.412 0.000 1.278 48 R HN 0.017 nan 8.270 nan 0.000 0.557 49 A N 0.914 123.727 122.820 -0.011 0.000 2.255 49 A HA -0.066 3.867 4.320 -0.644 0.000 0.206 49 A C 1.779 179.398 177.584 0.059 0.000 1.193 49 A CA 0.917 52.959 52.037 0.009 0.000 0.794 49 A CB -0.229 18.782 19.000 0.018 0.000 0.794 49 A HN 0.316 nan 8.150 nan 0.000 0.481 50 S N -0.667 115.100 115.700 0.111 0.000 2.603 50 S HA 0.471 4.554 4.470 -0.644 0.000 0.220 50 S C 0.964 175.668 174.600 0.173 0.000 0.967 50 S CA 0.260 58.544 58.200 0.139 0.000 0.920 50 S CB -0.478 62.814 63.200 0.154 0.000 0.773 50 S HN 0.773 nan 8.310 nan 0.000 0.529 51 A N 0.997 123.931 122.820 0.190 0.000 2.406 51 A HA 0.627 4.561 4.320 -0.644 0.000 0.243 51 A C 1.532 179.160 177.584 0.073 0.000 1.082 51 A CA -0.039 52.117 52.037 0.197 0.000 0.786 51 A CB -0.268 18.784 19.000 0.087 0.000 1.029 51 A HN 0.389 nan 8.150 nan 0.000 0.495 52 G N -0.479 108.343 108.800 0.035 0.000 2.421 52 G HA2 0.282 3.856 3.960 -0.644 0.000 0.217 52 G HA3 0.282 3.856 3.960 -0.644 0.000 0.217 52 G C 0.207 175.082 174.900 -0.041 0.000 1.143 52 G CA 1.387 46.480 45.100 -0.011 0.000 0.784 52 G HN 0.911 nan 8.290 nan 0.000 0.541 53 L N -0.298 120.879 121.223 -0.077 0.000 2.482 53 L HA 0.636 4.590 4.340 -0.644 0.000 0.263 53 L C -1.483 175.310 176.870 -0.127 0.000 0.957 53 L CA -0.843 53.923 54.840 -0.123 0.000 0.836 53 L CB 2.186 44.092 42.059 -0.255 0.000 1.324 53 L HN -0.021 nan 8.230 nan 0.000 0.406 54 I N 4.888 125.401 120.570 -0.096 0.000 2.404 54 I HA 0.541 4.325 4.170 -0.644 0.000 0.293 54 I C -0.831 175.253 176.117 -0.055 0.000 0.992 54 I CA -0.979 60.260 61.300 -0.102 0.000 1.149 54 I CB 2.030 39.973 38.000 -0.095 0.000 1.315 54 I HN 0.291 nan 8.210 nan 0.000 0.446 55 V N 5.144 125.031 119.914 -0.045 0.000 2.417 55 V HA 0.269 4.002 4.120 -0.644 0.000 0.291 55 V C 0.384 176.474 176.094 -0.008 0.000 1.024 55 V CA -0.634 61.665 62.300 -0.002 0.000 0.861 55 V CB 1.674 33.508 31.823 0.019 0.000 0.985 55 V HN 0.906 nan 8.190 nan 0.000 0.436 56 S N 4.061 119.708 115.700 -0.089 0.000 2.589 56 S HA 0.220 4.304 4.470 -0.644 0.000 0.265 56 S C 0.233 174.870 174.600 0.062 0.000 1.342 56 S CA -0.583 57.570 58.200 -0.078 0.000 1.005 56 S CB 0.449 63.433 63.200 -0.359 0.000 0.909 56 S HN 0.882 nan 8.310 nan 0.000 0.555 57 E N 0.989 121.371 120.200 0.304 0.000 2.422 57 E HA 0.254 4.217 4.350 -0.644 0.000 0.260 57 E C 0.680 177.316 176.600 0.061 0.000 1.108 57 E CA -0.392 56.132 56.400 0.207 0.000 0.943 57 E CB -0.215 29.717 29.700 0.387 0.000 0.961 57 E HN 0.818 nan 8.360 nan 0.000 0.443 58 G N 0.735 109.398 108.800 -0.228 0.000 2.265 58 G HA2 0.130 3.703 3.960 -0.644 0.000 0.240 58 G HA3 0.130 3.703 3.960 -0.644 0.000 0.240 58 G C -0.468 174.623 174.900 0.319 0.000 1.270 58 G CA 0.091 44.990 45.100 -0.334 0.000 0.901 58 G HN 0.414 nan 8.290 nan 0.000 0.507 59 T N 2.392 117.168 114.554 0.370 0.000 2.847 59 T HA 0.353 4.316 4.350 -0.644 0.000 0.291 59 T C 0.258 175.210 174.700 0.420 0.000 0.998 59 T CA -0.801 61.580 62.100 0.468 0.000 0.967 59 T CB 0.798 69.924 68.868 0.430 0.000 0.954 59 T HN 0.723 nan 8.240 nan 0.000 0.441 60 Q N 5.435 125.468 119.800 0.389 0.000 2.330 60 Q HA 0.131 4.084 4.340 -0.644 0.000 0.279 60 Q C 1.172 177.305 176.000 0.222 0.000 1.024 60 Q CA -0.159 55.768 55.803 0.206 0.000 0.900 60 Q CB 0.546 29.313 28.738 0.049 0.000 1.221 60 Q HN 0.936 nan 8.270 nan 0.000 0.396 61 I N -0.981 119.612 120.570 0.040 0.000 3.428 61 I HA 0.080 3.864 4.170 -0.644 0.000 0.286 61 I C 0.253 176.305 176.117 -0.108 0.000 1.287 61 I CA 0.117 61.423 61.300 0.010 0.000 1.396 61 I CB 0.032 37.912 38.000 -0.199 0.000 1.062 61 I HN 0.631 nan 8.210 nan 0.000 0.471 62 S N -1.079 114.421 115.700 -0.333 0.000 2.636 62 S HA 0.462 4.546 4.470 -0.644 0.000 0.266 62 S C -2.573 171.577 174.600 -0.750 0.000 1.147 62 S CA -0.855 56.850 58.200 -0.825 0.000 0.815 62 S CB 1.376 64.291 63.200 -0.475 0.000 1.119 62 S HN -0.235 nan 8.310 nan 0.000 0.470 63 P HA -0.021 nan 4.420 nan 0.000 0.217 63 P C 1.308 178.449 177.300 -0.264 0.000 1.150 63 P CA 2.072 64.972 63.100 -0.333 0.000 0.832 63 P CB -0.241 31.316 31.700 -0.237 0.000 0.787 64 T N -4.585 109.790 114.554 -0.298 0.000 3.144 64 T HA 0.367 4.331 4.350 -0.644 0.000 0.249 64 T C 1.404 175.835 174.700 -0.450 0.000 1.089 64 T CA 0.347 62.284 62.100 -0.272 0.000 0.989 64 T CB -0.469 68.299 68.868 -0.167 0.000 0.992 64 T HN -0.044 nan 8.240 nan 0.000 0.540 65 A N 0.733 123.174 122.820 -0.632 0.000 2.267 65 A HA 0.343 4.277 4.320 -0.644 0.000 0.213 65 A C 1.004 178.163 177.584 -0.709 0.000 1.192 65 A CA -0.291 51.104 52.037 -1.069 0.000 0.851 65 A CB -0.098 18.344 19.000 -0.930 0.000 0.881 65 A HN 0.481 nan 8.150 nan 0.000 0.494 66 K N 0.022 120.126 120.400 -0.492 0.000 2.249 66 K HA 0.379 4.312 4.320 -0.644 0.000 0.280 66 K C 0.851 177.129 176.600 -0.536 0.000 1.033 66 K CA 0.399 56.414 56.287 -0.454 0.000 0.946 66 K CB 0.802 33.155 32.500 -0.245 0.000 1.005 66 K HN 0.088 nan 8.250 nan 0.000 0.469 67 G N 3.044 111.428 108.800 -0.694 0.000 2.833 67 G HA2 0.121 3.695 3.960 -0.644 0.000 0.214 67 G HA3 0.121 3.695 3.960 -0.644 0.000 0.214 67 G C -0.725 173.480 174.900 -1.157 0.000 1.075 67 G CA 0.068 44.657 45.100 -0.852 0.000 0.799 67 G HN 0.552 nan 8.290 nan 0.000 0.541 68 Y N -0.120 119.831 120.300 -0.582 0.000 2.512 68 Y HA 0.665 4.872 4.550 -0.571 0.000 0.348 68 Y C 0.409 175.981 175.900 -0.547 0.000 0.990 68 Y CA -1.437 56.180 58.100 -0.805 0.000 1.033 68 Y CB 1.747 39.585 38.460 -1.036 0.000 1.259 68 Y HN 0.112 nan 8.280 nan 0.000 0.461 69 A N 1.633 124.165 122.820 -0.479 0.000 2.483 69 A HA 0.183 4.117 4.320 -0.644 0.000 0.238 69 A C -0.210 177.212 177.584 -0.270 0.000 1.070 69 A CA -0.023 51.641 52.037 -0.621 0.000 0.770 69 A CB -0.322 17.886 19.000 -1.320 0.000 1.008 69 A HN 0.949 nan 8.150 nan 0.000 0.497 70 W N -0.040 121.361 121.300 0.169 0.000 4.233 70 W HA -0.227 4.043 4.660 -0.651 0.000 0.328 70 W C 0.624 177.254 176.519 0.185 0.000 1.212 70 W CA 0.795 58.236 57.345 0.160 0.000 0.752 70 W CB -2.959 26.599 29.460 0.165 0.000 2.277 70 W HN 1.080 nan 8.180 nan 0.000 1.465 71 T N -0.339 114.408 114.554 0.320 0.000 2.909 71 T HA 0.565 4.529 4.350 -0.644 0.000 0.289 71 T C -1.467 173.399 174.700 0.278 0.000 1.005 71 T CA -1.634 60.674 62.100 0.347 0.000 1.084 71 T CB 2.762 71.872 68.868 0.404 0.000 0.975 71 T HN -0.112 nan 8.240 nan 0.000 0.509 72 P HA 0.308 nan 4.420 nan 0.000 0.276 72 P C 0.289 177.765 177.300 0.292 0.000 1.230 72 P CA -0.084 63.123 63.100 0.178 0.000 0.776 72 P CB 0.843 32.558 31.700 0.024 0.000 0.888 73 G N 1.823 110.715 108.800 0.154 0.000 2.511 73 G HA2 0.507 4.081 3.960 -0.644 0.000 0.316 73 G HA3 0.507 4.081 3.960 -0.644 0.000 0.316 73 G C -0.385 174.645 174.900 0.216 0.000 1.210 73 G CA -0.770 44.422 45.100 0.153 0.000 0.969 73 G HN 0.585 nan 8.290 nan 0.000 0.492 74 I N 0.179 120.875 120.570 0.211 0.000 3.114 74 I HA 0.279 4.062 4.170 -0.644 0.000 0.326 74 I C 0.208 176.437 176.117 0.186 0.000 1.510 74 I CA -0.605 60.850 61.300 0.258 0.000 0.918 74 I CB 0.100 38.249 38.000 0.249 0.000 1.561 74 I HN 0.652 nan 8.210 nan 0.000 0.565 75 Y N -0.824 119.547 120.300 0.118 0.000 2.423 75 Y HA 0.447 4.606 4.550 -0.652 0.000 0.257 75 Y C 0.804 176.743 175.900 0.065 0.000 1.087 75 Y CA -0.058 58.084 58.100 0.070 0.000 1.258 75 Y CB -0.525 37.954 38.460 0.032 0.000 1.237 75 Y HN 0.121 nan 8.280 nan 0.000 0.517 76 T N -2.177 112.253 114.554 -0.207 0.000 2.943 76 T HA 0.408 4.371 4.350 -0.644 0.000 0.284 76 T C -2.143 172.546 174.700 -0.018 0.000 1.015 76 T CA -2.368 59.690 62.100 -0.070 0.000 1.042 76 T CB 2.150 70.930 68.868 -0.147 0.000 1.055 76 T HN -0.237 nan 8.240 nan 0.000 0.500 77 P HA -0.064 nan 4.420 nan 0.000 0.215 77 P C 1.150 178.460 177.300 0.017 0.000 1.153 77 P CA 1.027 64.144 63.100 0.028 0.000 0.853 77 P CB 0.090 31.808 31.700 0.028 0.000 0.788 78 E N -0.444 119.752 120.200 -0.007 0.000 2.077 78 E HA -0.186 3.778 4.350 -0.644 0.000 0.193 78 E C 2.153 178.735 176.600 -0.029 0.000 0.989 78 E CA 1.194 57.584 56.400 -0.017 0.000 0.800 78 E CB -0.843 28.840 29.700 -0.029 0.000 0.746 78 E HN 0.380 nan 8.360 nan 0.000 0.452 79 Q N -0.094 119.673 119.800 -0.056 0.000 2.124 79 Q HA -0.090 3.863 4.340 -0.644 0.000 0.202 79 Q C 2.205 178.258 176.000 0.088 0.000 0.977 79 Q CA 1.043 56.812 55.803 -0.057 0.000 0.850 79 Q CB -0.128 28.535 28.738 -0.126 0.000 0.901 79 Q HN 0.335 nan 8.270 nan 0.000 0.429 80 I N 0.443 121.088 120.570 0.126 0.000 2.252 80 I HA -0.267 3.517 4.170 -0.644 0.000 0.245 80 I C 2.392 178.613 176.117 0.173 0.000 1.102 80 I CA 0.940 62.366 61.300 0.209 0.000 1.385 80 I CB -0.369 37.716 38.000 0.142 0.000 1.064 80 I HN 0.162 nan 8.210 nan 0.000 0.414 81 A N 0.899 123.773 122.820 0.089 0.000 1.902 81 A HA -0.117 3.817 4.320 -0.644 0.000 0.217 81 A C 2.437 180.051 177.584 0.050 0.000 1.181 81 A CA 1.848 53.921 52.037 0.061 0.000 0.623 81 A CB -1.417 17.602 19.000 0.032 0.000 0.818 81 A HN 0.460 nan 8.150 nan 0.000 0.443 82 G N -1.642 107.163 108.800 0.009 0.000 2.418 82 G HA2 -0.270 3.303 3.960 -0.644 0.000 0.217 82 G HA3 -0.270 3.303 3.960 -0.644 0.000 0.217 82 G C 1.447 176.329 174.900 -0.031 0.000 1.158 82 G CA 0.884 45.946 45.100 -0.064 0.000 0.771 82 G HN 0.685 nan 8.290 nan 0.000 0.545 83 W N 0.248 121.575 121.300 0.044 0.000 2.402 83 W HA 0.043 4.301 4.660 -0.670 0.000 0.286 83 W C 2.824 179.257 176.519 -0.143 0.000 1.221 83 W CA 0.474 57.828 57.345 0.014 0.000 1.257 83 W CB 0.150 29.722 29.460 0.185 0.000 1.120 83 W HN 0.100 nan 8.180 nan 0.000 0.551 84 R N 1.100 121.688 120.500 0.145 0.000 2.096 84 R HA -0.155 3.799 4.340 -0.644 0.000 0.235 84 R C 1.690 177.994 176.300 0.007 0.000 1.127 84 R CA 1.730 57.846 56.100 0.027 0.000 0.968 84 R CB -0.995 29.333 30.300 0.046 0.000 0.861 84 R HN 0.210 nan 8.270 nan 0.000 0.440 85 I N -0.261 120.331 120.570 0.037 0.000 2.315 85 I HA -0.233 3.550 4.170 -0.644 0.000 0.248 85 I C 1.951 178.085 176.117 0.030 0.000 1.117 85 I CA 1.026 62.349 61.300 0.038 0.000 1.404 85 I CB -0.285 37.748 38.000 0.054 0.000 1.071 85 I HN 0.018 nan 8.210 nan 0.000 0.419 86 V N 1.156 121.101 119.914 0.051 0.000 2.270 86 V HA -0.275 3.458 4.120 -0.644 0.000 0.245 86 V C 2.769 178.802 176.094 -0.102 0.000 1.043 86 V CA 2.584 64.924 62.300 0.068 0.000 1.014 86 V CB -1.170 30.812 31.823 0.266 0.000 0.645 86 V HN 0.615 nan 8.190 nan 0.000 0.447 87 T N -2.195 112.200 114.554 -0.265 0.000 2.833 87 T HA -0.195 3.768 4.350 -0.644 0.000 0.269 87 T C 1.717 176.208 174.700 -0.349 0.000 1.054 87 T CA 1.386 63.184 62.100 -0.502 0.000 1.135 87 T CB -0.316 68.159 68.868 -0.654 0.000 0.869 87 T HN 0.433 nan 8.240 nan 0.000 0.466 88 E N 1.717 121.846 120.200 -0.117 0.000 2.077 88 E HA -0.003 3.961 4.350 -0.644 0.000 0.193 88 E C 2.671 179.270 176.600 -0.001 0.000 0.989 88 E CA 1.350 57.750 56.400 -0.001 0.000 0.800 88 E CB -0.729 28.986 29.700 0.024 0.000 0.746 88 E HN 0.709 nan 8.360 nan 0.000 0.452 89 A N 1.011 123.820 122.820 -0.018 0.000 1.902 89 A HA -0.132 3.802 4.320 -0.644 0.000 0.217 89 A C 2.619 180.197 177.584 -0.010 0.000 1.181 89 A CA 1.453 53.493 52.037 0.006 0.000 0.623 89 A CB -0.639 18.373 19.000 0.020 0.000 0.818 89 A HN 0.132 nan 8.150 nan 0.000 0.443 90 V N -0.496 119.369 119.914 -0.080 0.000 2.358 90 V HA -0.271 3.462 4.120 -0.644 0.000 0.246 90 V C 2.264 178.335 176.094 -0.038 0.000 1.047 90 V CA 2.270 64.512 62.300 -0.096 0.000 1.035 90 V CB -1.146 30.550 31.823 -0.210 0.000 0.658 90 V HN 0.747 nan 8.190 nan 0.000 0.452 91 H N -0.090 118.973 119.070 -0.012 0.000 2.421 91 H HA -0.041 4.130 4.556 -0.642 0.000 0.298 91 H C 2.261 177.593 175.328 0.006 0.000 1.087 91 H CA 0.966 57.011 56.048 -0.005 0.000 1.330 91 H CB -0.057 29.695 29.762 -0.016 0.000 1.388 91 H HN 0.465 nan 8.280 nan 0.000 0.526 92 A N 0.913 123.806 122.820 0.122 0.000 2.070 92 A HA -0.127 3.806 4.320 -0.644 0.000 0.220 92 A C 1.860 179.483 177.584 0.066 0.000 1.159 92 A CA 1.169 53.253 52.037 0.079 0.000 0.656 92 A CB 0.003 19.038 19.000 0.059 0.000 0.800 92 A HN 0.155 nan 8.150 nan 0.000 0.453 93 K N -1.211 119.229 120.400 0.065 0.000 2.404 93 K HA 0.164 4.098 4.320 -0.644 0.000 0.194 93 K C 0.904 177.543 176.600 0.065 0.000 1.023 93 K CA 0.679 57.000 56.287 0.057 0.000 1.094 93 K CB -0.102 32.426 32.500 0.047 0.000 0.841 93 K HN 0.755 nan 8.250 nan 0.000 0.523 94 G N 1.934 110.784 108.800 0.083 0.000 2.248 94 G HA2 -0.249 3.324 3.960 -0.644 0.000 0.263 94 G HA3 -0.249 3.324 3.960 -0.644 0.000 0.263 94 G C -0.029 174.924 174.900 0.089 0.000 1.082 94 G CA 0.287 45.435 45.100 0.081 0.000 0.863 94 G HN 0.349 nan 8.290 nan 0.000 0.495 95 C N -0.240 119.131 119.300 0.118 0.000 2.848 95 C HA 0.986 5.060 4.460 -0.644 0.000 0.317 95 C C 0.675 175.770 174.990 0.174 0.000 1.260 95 C CA 0.391 59.469 59.018 0.100 0.000 1.656 95 C CB 1.307 29.077 27.740 0.049 0.000 2.174 95 C HN 1.740 nan 8.230 nan 0.000 0.479 96 A N 2.872 125.772 122.820 0.133 0.000 2.325 96 A HA 0.846 4.779 4.320 -0.644 0.000 0.333 96 A C -0.958 176.723 177.584 0.162 0.000 1.155 96 A CA -0.500 51.662 52.037 0.209 0.000 0.814 96 A CB 0.754 19.863 19.000 0.180 0.000 1.206 96 A HN 1.115 nan 8.150 nan 0.000 0.482 97 I N 1.105 121.827 120.570 0.253 0.000 2.607 97 I HA 0.623 4.407 4.170 -0.644 0.000 0.290 97 I C -1.947 174.488 176.117 0.531 0.000 1.129 97 I CA -0.639 60.798 61.300 0.227 0.000 1.042 97 I CB 1.303 39.285 38.000 -0.031 0.000 1.242 97 I HN 0.533 nan 8.210 nan 0.000 0.421 98 F N 5.573 125.578 119.950 0.091 0.000 2.480 98 F HA 0.707 4.842 4.527 -0.654 0.000 0.329 98 F C 0.530 176.151 175.800 -0.298 0.000 1.091 98 F CA -0.855 57.144 58.000 -0.002 0.000 0.972 98 F CB 2.060 41.080 39.000 0.032 0.000 1.150 98 F HN 0.457 nan 8.300 nan 0.000 0.467 99 A N 2.919 125.316 122.820 -0.704 0.000 2.289 99 A HA 0.382 4.316 4.320 -0.644 0.000 0.298 99 A C -0.276 176.995 177.584 -0.522 0.000 1.208 99 A CA -0.566 50.755 52.037 -1.193 0.000 0.845 99 A CB 0.350 18.069 19.000 -2.135 0.000 1.125 99 A HN 0.741 nan 8.150 nan 0.000 0.517 100 Q N 3.344 122.932 119.800 -0.353 0.000 2.361 100 Q HA 0.374 4.327 4.340 -0.644 0.000 0.250 100 Q C -1.110 174.840 176.000 -0.084 0.000 1.023 100 Q CA -0.239 55.459 55.803 -0.174 0.000 0.915 100 Q CB 0.187 28.811 28.738 -0.190 0.000 1.238 100 Q HN 0.737 nan 8.270 nan 0.000 0.451 101 L N 4.494 125.719 121.223 0.003 0.000 2.418 101 L HA 0.213 4.167 4.340 -0.644 0.000 0.274 101 L C -0.384 176.719 176.870 0.389 0.000 1.135 101 L CA -0.252 54.690 54.840 0.169 0.000 0.870 101 L CB 0.130 42.320 42.059 0.219 0.000 1.154 101 L HN 0.591 nan 8.230 nan 0.000 0.462 102 W N 4.597 125.981 121.300 0.140 0.000 2.702 102 W HA 0.401 5.201 4.660 0.233 0.000 0.331 102 W C -0.689 175.851 176.519 0.036 0.000 1.049 102 W CA -0.623 56.794 57.345 0.121 0.000 1.230 102 W CB 1.095 30.586 29.460 0.053 0.000 1.408 102 W HN 0.360 nan 8.180 nan 0.000 0.492 103 H N 4.841 124.023 119.070 0.187 0.000 3.181 103 H HA 0.224 4.391 4.556 -0.648 0.000 0.331 103 H C 0.509 175.767 175.328 -0.117 0.000 0.988 103 H CA -0.110 55.886 56.048 -0.087 0.000 1.449 103 H CB 1.518 31.270 29.762 -0.018 0.000 1.749 103 H HN 0.360 nan 8.280 nan 0.000 0.501 104 V N 2.641 122.396 119.914 -0.265 0.000 3.217 104 V HA 0.242 3.975 4.120 -0.644 0.000 0.264 104 V C 1.434 177.677 176.094 0.248 0.000 1.135 104 V CA 1.149 63.391 62.300 -0.097 0.000 1.142 104 V CB -0.836 30.716 31.823 -0.452 0.000 0.754 104 V HN 0.937 nan 8.190 nan 0.000 0.484 105 G N 2.604 111.630 108.800 0.376 0.000 2.622 105 G HA2 -0.450 3.124 3.960 -0.644 0.000 0.307 105 G HA3 -0.450 3.124 3.960 -0.644 0.000 0.307 105 G C 1.013 175.965 174.900 0.086 0.000 1.226 105 G CA 1.257 46.487 45.100 0.217 0.000 0.997 105 G HN 0.980 nan 8.290 nan 0.000 0.551 106 R N 0.059 120.584 120.500 0.042 0.000 2.316 106 R HA 0.257 4.211 4.340 -0.644 0.000 0.202 106 R C 0.805 177.088 176.300 -0.028 0.000 1.029 106 R CA 1.122 57.213 56.100 -0.015 0.000 1.018 106 R CB -0.150 30.132 30.300 -0.031 0.000 0.888 106 R HN 0.422 nan 8.270 nan 0.000 0.471 107 V N 1.988 121.910 119.914 0.015 0.000 2.153 107 V HA 0.188 3.921 4.120 -0.644 0.000 0.250 107 V C -0.027 175.962 176.094 -0.175 0.000 1.334 107 V CA 0.138 62.432 62.300 -0.010 0.000 1.249 107 V CB 0.072 31.983 31.823 0.148 0.000 1.371 107 V HN 0.434 nan 8.190 nan 0.000 0.498 108 T N 1.691 116.117 114.554 -0.214 0.000 2.658 108 T HA 0.472 4.436 4.350 -0.644 0.000 0.305 108 T C -1.847 172.743 174.700 -0.184 0.000 1.551 108 T CA -0.538 61.373 62.100 -0.315 0.000 0.985 108 T CB 1.728 70.402 68.868 -0.323 0.000 1.731 108 T HN 0.690 nan 8.240 nan 0.000 0.486 109 H N 0.115 119.015 119.070 -0.283 0.000 2.768 109 H HA 0.549 4.717 4.556 -0.647 0.000 0.371 109 H C -2.183 173.036 175.328 -0.182 0.000 1.151 109 H CA -1.724 54.201 56.048 -0.204 0.000 1.165 109 H CB 2.535 32.175 29.762 -0.203 0.000 1.722 109 H HN 0.283 nan 8.280 nan 0.000 0.543 110 P HA -0.177 nan 4.420 nan 0.000 0.217 110 P C 0.613 177.847 177.300 -0.110 0.000 1.148 110 P CA 1.456 64.374 63.100 -0.303 0.000 0.834 110 P CB 0.288 31.771 31.700 -0.361 0.000 0.783 111 D N -1.484 118.983 120.400 0.112 0.000 2.221 111 D HA -0.121 4.132 4.640 -0.644 0.000 0.204 111 D C 1.335 177.616 176.300 -0.033 0.000 0.982 111 D CA 0.965 55.022 54.000 0.095 0.000 0.857 111 D CB -0.631 40.259 40.800 0.150 0.000 0.934 111 D HN 0.202 nan 8.370 nan 0.000 0.475 112 N N 0.093 118.742 118.700 -0.085 0.000 2.353 112 N HA 0.073 4.427 4.740 -0.644 0.000 0.185 112 N C 0.930 176.347 175.510 -0.155 0.000 1.098 112 N CA 0.149 53.101 53.050 -0.163 0.000 0.872 112 N CB 0.807 39.135 38.487 -0.265 0.000 0.970 112 N HN 0.397 nan 8.380 nan 0.000 0.467 113 I N -2.608 117.878 120.570 -0.139 0.000 2.979 113 I HA 0.324 4.108 4.170 -0.644 0.000 0.337 113 I C -1.056 174.999 176.117 -0.104 0.000 1.453 113 I CA -0.423 60.794 61.300 -0.139 0.000 0.891 113 I CB 0.230 38.127 38.000 -0.171 0.000 1.887 113 I HN -0.327 nan 8.210 nan 0.000 0.546 114 D N 2.472 122.826 120.400 -0.076 0.000 2.772 114 D HA -0.212 4.041 4.640 -0.644 0.000 0.233 114 D C 1.400 177.664 176.300 -0.060 0.000 1.143 114 D CA 1.600 55.567 54.000 -0.055 0.000 0.700 114 D CB -1.273 39.498 40.800 -0.049 0.000 1.076 114 D HN 1.079 nan 8.370 nan 0.000 0.430 115 G N -1.052 107.706 108.800 -0.071 0.000 2.189 115 G HA2 -0.371 3.203 3.960 -0.644 0.000 0.267 115 G HA3 -0.371 3.203 3.960 -0.644 0.000 0.267 115 G C 0.370 175.212 174.900 -0.096 0.000 0.975 115 G CA 0.578 45.631 45.100 -0.079 0.000 0.644 115 G HN 0.424 nan 8.290 nan 0.000 0.537 116 Q N 0.168 119.909 119.800 -0.099 0.000 2.417 116 Q HA 0.314 4.267 4.340 -0.644 0.000 0.241 116 Q C 0.625 176.553 176.000 -0.120 0.000 1.008 116 Q CA -0.051 55.693 55.803 -0.099 0.000 0.901 116 Q CB 0.685 29.367 28.738 -0.093 0.000 1.259 116 Q HN 0.695 nan 8.270 nan 0.000 0.489 117 Q N 1.851 121.588 119.800 -0.105 0.000 2.288 117 Q HA 0.272 4.226 4.340 -0.644 0.000 0.254 117 Q C -2.223 173.715 176.000 -0.102 0.000 0.932 117 Q CA -1.642 54.093 55.803 -0.112 0.000 0.902 117 Q CB 0.779 29.462 28.738 -0.092 0.000 1.203 117 Q HN 0.205 nan 8.270 nan 0.000 0.415 118 P HA 0.080 nan 4.420 nan 0.000 0.272 118 P C -0.898 176.367 177.300 -0.059 0.000 1.230 118 P CA 0.052 63.101 63.100 -0.085 0.000 0.788 118 P CB 0.405 32.047 31.700 -0.096 0.000 0.949 119 I N -2.077 118.478 120.570 -0.024 0.000 2.750 119 I HA 0.849 4.632 4.170 -0.644 0.000 0.308 119 I C -0.154 175.935 176.117 -0.046 0.000 1.016 119 I CA -0.666 60.610 61.300 -0.040 0.000 1.098 119 I CB 2.285 40.265 38.000 -0.034 0.000 1.279 119 I HN 0.263 nan 8.210 nan 0.000 0.454 120 S N 1.274 116.917 115.700 -0.095 0.000 2.703 120 S HA 0.329 4.412 4.470 -0.644 0.000 0.273 120 S C 0.688 175.104 174.600 -0.306 0.000 1.178 120 S CA 0.057 58.174 58.200 -0.138 0.000 0.838 120 S CB 1.073 64.195 63.200 -0.130 0.000 1.178 120 S HN 0.952 nan 8.310 nan 0.000 0.494 121 S N 0.952 116.276 115.700 -0.626 0.000 2.368 121 S HA 0.147 4.230 4.470 -0.644 0.000 0.225 121 S C 0.875 175.166 174.600 -0.515 0.000 1.030 121 S CA 1.156 58.681 58.200 -1.125 0.000 0.999 121 S CB -0.476 61.853 63.200 -1.451 0.000 0.844 121 S HN 0.621 nan 8.310 nan 0.000 0.459 122 S N 0.356 115.854 115.700 -0.337 0.000 2.900 122 S HA 0.526 4.610 4.470 -0.644 0.000 0.320 122 S C 0.405 174.916 174.600 -0.147 0.000 1.130 122 S CA -0.187 57.891 58.200 -0.204 0.000 0.863 122 S CB 1.308 64.407 63.200 -0.169 0.000 1.295 122 S HN 0.523 nan 8.310 nan 0.000 0.596 123 T N -0.190 114.299 114.554 -0.107 0.000 3.244 123 T HA 0.411 4.375 4.350 -0.644 0.000 0.254 123 T C 0.014 174.670 174.700 -0.073 0.000 1.024 123 T CA -0.105 61.944 62.100 -0.085 0.000 0.920 123 T CB -0.942 67.885 68.868 -0.068 0.000 1.042 123 T HN 0.292 nan 8.240 nan 0.000 0.572 124 L N 2.110 123.286 121.223 -0.079 0.000 2.319 124 L HA 0.405 4.358 4.340 -0.644 0.000 0.280 124 L C 0.552 177.389 176.870 -0.055 0.000 1.099 124 L CA -0.760 54.042 54.840 -0.062 0.000 0.828 124 L CB 0.981 43.002 42.059 -0.062 0.000 1.150 124 L HN 0.218 nan 8.230 nan 0.000 0.442 125 K N 3.208 123.582 120.400 -0.043 0.000 2.218 125 K HA 0.441 4.375 4.320 -0.644 0.000 0.276 125 K C -0.166 176.418 176.600 -0.028 0.000 1.022 125 K CA -0.622 55.643 56.287 -0.037 0.000 0.946 125 K CB 1.184 33.665 32.500 -0.031 0.000 1.000 125 K HN 0.666 nan 8.250 nan 0.000 0.468 126 A N 4.661 127.466 122.820 -0.024 0.000 2.484 126 A HA 0.073 4.007 4.320 -0.644 0.000 0.268 126 A C -0.360 177.221 177.584 -0.005 0.000 1.114 126 A CA -0.201 51.827 52.037 -0.015 0.000 0.780 126 A CB 0.081 19.073 19.000 -0.014 0.000 1.061 126 A HN 0.741 nan 8.150 nan 0.000 0.505 127 E N 2.554 122.754 120.200 -0.001 0.000 2.338 127 E HA 0.065 4.029 4.350 -0.644 0.000 0.272 127 E C -0.043 176.565 176.600 0.014 0.000 1.029 127 E CA -0.068 56.334 56.400 0.005 0.000 0.872 127 E CB 0.307 30.009 29.700 0.004 0.000 1.015 127 E HN 0.668 nan 8.360 nan 0.000 0.417 128 N N 0.443 119.153 118.700 0.017 0.000 2.738 128 N HA -0.163 4.190 4.740 -0.644 0.000 0.249 128 N C -1.037 174.494 175.510 0.035 0.000 1.047 128 N CA 0.535 53.600 53.050 0.024 0.000 0.707 128 N CB -1.105 37.397 38.487 0.023 0.000 0.937 128 N HN 0.127 nan 8.380 nan 0.000 0.545 129 V N 0.039 119.975 119.914 0.036 0.000 2.656 129 V HA 0.467 4.200 4.120 -0.644 0.000 0.307 129 V C 0.224 176.354 176.094 0.059 0.000 1.051 129 V CA -0.663 61.667 62.300 0.051 0.000 0.893 129 V CB 2.789 34.636 31.823 0.038 0.000 0.999 129 V HN 0.051 nan 8.190 nan 0.000 0.426 130 K N 2.427 122.886 120.400 0.099 0.000 2.385 130 K HA 0.871 4.805 4.320 -0.644 0.000 0.248 130 K C -0.957 175.717 176.600 0.123 0.000 0.955 130 K CA -0.703 55.655 56.287 0.120 0.000 0.816 130 K CB 2.740 35.364 32.500 0.208 0.000 1.250 130 K HN 0.582 nan 8.250 nan 0.000 0.434 131 V N -1.810 118.089 119.914 -0.024 0.000 3.139 131 V HA 0.752 4.485 4.120 -0.644 0.000 0.310 131 V C -1.126 174.777 176.094 -0.319 0.000 1.260 131 V CA -0.966 61.179 62.300 -0.259 0.000 1.064 131 V CB 1.141 32.539 31.823 -0.709 0.000 1.160 131 V HN 0.737 nan 8.190 nan 0.000 0.470 132 F N 0.182 119.848 119.950 -0.472 0.000 2.588 132 F HA 0.978 5.117 4.527 -0.647 0.000 0.314 132 F C -0.543 174.952 175.800 -0.509 0.000 1.069 132 F CA -0.881 56.735 58.000 -0.640 0.000 0.931 132 F CB 1.252 39.585 39.000 -1.112 0.000 1.260 132 F HN 0.693 nan 8.300 nan 0.000 0.465 133 V N -1.583 118.206 119.914 -0.209 0.000 3.155 133 V HA 0.618 4.352 4.120 -0.644 0.000 0.313 133 V C -1.381 174.532 176.094 -0.301 0.000 1.162 133 V CA -0.732 61.392 62.300 -0.295 0.000 1.048 133 V CB 1.870 33.531 31.823 -0.270 0.000 1.092 133 V HN 0.918 nan 8.190 nan 0.000 0.447 134 D N 1.816 122.031 120.400 -0.308 0.000 2.313 134 D HA 0.290 4.543 4.640 -0.644 0.000 0.239 134 D C 0.093 176.408 176.300 0.025 0.000 1.142 134 D CA -0.069 53.873 54.000 -0.097 0.000 0.847 134 D CB 0.639 41.448 40.800 0.015 0.000 1.082 134 D HN 0.905 nan 8.370 nan 0.000 0.480 135 N N 2.190 120.944 118.700 0.089 0.000 2.598 135 N HA 0.306 4.659 4.740 -0.644 0.000 0.309 135 N C 0.574 176.137 175.510 0.088 0.000 1.645 135 N CA -0.782 52.305 53.050 0.062 0.000 0.936 135 N CB 0.580 39.088 38.487 0.035 0.000 1.323 135 N HN 0.420 nan 8.380 nan 0.000 0.497 136 G N 0.736 109.604 108.800 0.113 0.000 2.272 136 G HA2 -0.254 3.320 3.960 -0.644 0.000 0.280 136 G HA3 -0.254 3.320 3.960 -0.644 0.000 0.280 136 G C -0.215 174.741 174.900 0.094 0.000 1.067 136 G CA 0.443 45.600 45.100 0.094 0.000 0.902 136 G HN 1.070 nan 8.290 nan 0.000 0.500 137 S N -2.411 113.369 115.700 0.133 0.000 2.611 137 S HA 0.487 4.571 4.470 -0.644 0.000 0.270 137 S C -0.806 173.881 174.600 0.145 0.000 1.131 137 S CA -0.224 58.039 58.200 0.106 0.000 0.826 137 S CB 1.173 64.429 63.200 0.093 0.000 1.095 137 S HN -0.004 nan 8.310 nan 0.000 0.461 138 D N 1.126 121.552 120.400 0.043 0.000 2.706 138 D HA 0.454 4.708 4.640 -0.644 0.000 0.236 138 D C 0.215 176.524 176.300 0.015 0.000 1.231 138 D CA 0.705 54.659 54.000 -0.076 0.000 0.828 138 D CB 0.325 41.009 40.800 -0.192 0.000 1.015 138 D HN 0.818 nan 8.370 nan 0.000 0.484 139 E N 1.027 121.336 120.200 0.182 0.000 2.218 139 E HA 0.473 4.437 4.350 -0.644 0.000 0.263 139 E C -2.754 174.006 176.600 0.267 0.000 0.879 139 E CA -2.351 54.160 56.400 0.186 0.000 0.762 139 E CB 0.786 30.559 29.700 0.122 0.000 1.166 139 E HN -0.095 nan 8.360 nan 0.000 0.415 140 P HA 0.235 nan 4.420 nan 0.000 0.261 140 P C 0.269 177.574 177.300 0.008 0.000 1.183 140 P CA 0.406 63.445 63.100 -0.102 0.000 0.761 140 P CB 1.101 32.397 31.700 -0.674 0.000 0.785 141 G N 3.530 112.316 108.800 -0.023 0.000 2.504 141 G HA2 0.389 3.963 3.960 -0.644 0.000 0.326 141 G HA3 0.389 3.963 3.960 -0.644 0.000 0.326 141 G C -0.687 174.219 174.900 0.009 0.000 1.073 141 G CA -0.321 44.814 45.100 0.058 0.000 1.030 141 G HN 0.260 nan 8.290 nan 0.000 0.448 142 F N 2.028 122.007 119.950 0.049 0.000 2.495 142 F HA 0.409 4.548 4.527 -0.647 0.000 0.365 142 F C 0.885 176.672 175.800 -0.022 0.000 1.090 142 F CA -0.198 57.834 58.000 0.054 0.000 1.235 142 F CB 1.443 40.478 39.000 0.058 0.000 1.119 142 F HN 0.396 nan 8.300 nan 0.000 0.562 143 V N -0.151 119.794 119.914 0.051 0.000 3.114 143 V HA 0.510 4.244 4.120 -0.644 0.000 0.308 143 V C -0.689 175.409 176.094 0.005 0.000 1.168 143 V CA -1.142 61.135 62.300 -0.038 0.000 1.015 143 V CB 1.896 33.553 31.823 -0.277 0.000 1.050 143 V HN 0.578 nan 8.190 nan 0.000 0.433 144 D N 1.439 121.857 120.400 0.030 0.000 2.399 144 D HA 0.327 4.580 4.640 -0.644 0.000 0.241 144 D C 0.435 176.776 176.300 0.068 0.000 1.133 144 D CA 0.234 54.263 54.000 0.048 0.000 0.890 144 D CB 1.897 42.724 40.800 0.045 0.000 1.201 144 D HN 0.938 nan 8.370 nan 0.000 0.432 145 V N 0.299 120.233 119.914 0.032 0.000 3.319 145 V HA 0.611 4.344 4.120 -0.644 0.000 0.303 145 V C 0.411 176.507 176.094 0.003 0.000 1.094 145 V CA -0.682 61.623 62.300 0.009 0.000 1.106 145 V CB 0.557 32.362 31.823 -0.029 0.000 1.099 145 V HN 0.625 nan 8.190 nan 0.000 0.476 146 A N 1.728 124.516 122.820 -0.054 0.000 2.281 146 A HA 0.760 4.693 4.320 -0.644 0.000 0.329 146 A C -0.193 177.344 177.584 -0.078 0.000 1.122 146 A CA -0.755 51.228 52.037 -0.090 0.000 0.850 146 A CB 1.230 20.115 19.000 -0.191 0.000 1.207 146 A HN 1.146 nan 8.150 nan 0.000 0.495 147 V N 3.224 123.094 119.914 -0.073 0.000 2.508 147 V HA 0.265 3.999 4.120 -0.644 0.000 0.281 147 V C -1.692 174.356 176.094 -0.076 0.000 1.041 147 V CA -0.669 61.592 62.300 -0.065 0.000 1.016 147 V CB 0.637 32.427 31.823 -0.056 0.000 0.984 147 V HN 0.851 nan 8.190 nan 0.000 0.478 148 P HA 0.409 nan 4.420 nan 0.000 0.280 148 P C -1.093 176.161 177.300 -0.077 0.000 1.272 148 P CA -0.879 62.174 63.100 -0.077 0.000 0.819 148 P CB 1.215 32.870 31.700 -0.075 0.000 1.122 149 R N 0.007 120.460 120.500 -0.078 0.000 2.604 149 R HA 0.772 4.726 4.340 -0.644 0.000 0.287 149 R C -0.446 175.801 176.300 -0.089 0.000 0.970 149 R CA -1.033 55.022 56.100 -0.076 0.000 0.946 149 R CB 0.948 31.208 30.300 -0.067 0.000 1.127 149 R HN 0.381 nan 8.270 nan 0.000 0.473 150 A N 4.277 127.041 122.820 -0.093 0.000 2.440 150 A HA 0.254 4.187 4.320 -0.644 0.000 0.251 150 A C 0.309 177.831 177.584 -0.104 0.000 1.089 150 A CA -0.586 51.381 52.037 -0.118 0.000 0.779 150 A CB 0.170 19.104 19.000 -0.111 0.000 1.022 150 A HN 0.798 nan 8.150 nan 0.000 0.492 151 M N 2.511 122.039 119.600 -0.121 0.000 2.248 151 M HA 0.139 4.233 4.480 -0.644 0.000 0.345 151 M C 1.131 177.375 176.300 -0.093 0.000 1.243 151 M CA 0.291 55.528 55.300 -0.105 0.000 1.090 151 M CB 0.484 33.015 32.600 -0.115 0.000 1.683 151 M HN 0.909 nan 8.290 nan 0.000 0.450 152 T N -0.795 113.712 114.554 -0.078 0.000 2.862 152 T HA 0.266 4.230 4.350 -0.644 0.000 0.276 152 T C 0.925 175.585 174.700 -0.067 0.000 0.974 152 T CA -0.924 61.143 62.100 -0.055 0.000 0.966 152 T CB 1.286 70.132 68.868 -0.038 0.000 1.072 152 T HN 0.790 nan 8.240 nan 0.000 0.538 153 K N 0.111 120.493 120.400 -0.028 0.000 2.103 153 K HA -0.114 3.819 4.320 -0.644 0.000 0.207 153 K C 2.339 178.926 176.600 -0.021 0.000 1.048 153 K CA 1.359 57.639 56.287 -0.011 0.000 0.930 153 K CB -0.853 31.672 32.500 0.041 0.000 0.716 153 K HN 0.703 nan 8.250 nan 0.000 0.444 154 A N 1.461 124.270 122.820 -0.018 0.000 1.930 154 A HA -0.170 3.763 4.320 -0.644 0.000 0.217 154 A C 1.650 179.218 177.584 -0.026 0.000 1.175 154 A CA 1.834 53.863 52.037 -0.014 0.000 0.627 154 A CB -0.457 18.535 19.000 -0.012 0.000 0.815 154 A HN 0.395 nan 8.150 nan 0.000 0.443 155 D N 0.160 120.530 120.400 -0.049 0.000 2.117 155 D HA -0.123 4.131 4.640 -0.644 0.000 0.197 155 D C 1.879 178.137 176.300 -0.071 0.000 0.987 155 D CA 1.172 55.136 54.000 -0.060 0.000 0.829 155 D CB -0.331 40.419 40.800 -0.082 0.000 0.961 155 D HN 0.527 nan 8.370 nan 0.000 0.460 156 I N 1.277 121.774 120.570 -0.122 0.000 2.179 156 I HA -0.267 3.517 4.170 -0.644 0.000 0.242 156 I C 2.530 178.672 176.117 0.040 0.000 1.088 156 I CA 1.064 62.286 61.300 -0.130 0.000 1.357 156 I CB -0.229 37.576 38.000 -0.325 0.000 1.051 156 I HN -0.077 nan 8.210 nan 0.000 0.409 157 A N 0.084 122.918 122.820 0.022 0.000 1.902 157 A HA -0.294 3.640 4.320 -0.644 0.000 0.217 157 A C 2.227 179.839 177.584 0.046 0.000 1.181 157 A CA 1.989 54.054 52.037 0.047 0.000 0.623 157 A CB -0.619 18.401 19.000 0.033 0.000 0.818 157 A HN 0.420 nan 8.150 nan 0.000 0.443 158 Q N -0.079 119.737 119.800 0.026 0.000 2.050 158 Q HA -0.102 3.852 4.340 -0.644 0.000 0.202 158 Q C 1.878 177.899 176.000 0.035 0.000 0.980 158 Q CA 2.249 58.063 55.803 0.018 0.000 0.840 158 Q CB -0.602 28.134 28.738 -0.003 0.000 0.898 158 Q HN 0.332 nan 8.270 nan 0.000 0.424 159 V N 0.421 120.373 119.914 0.064 0.000 2.407 159 V HA -0.232 3.501 4.120 -0.644 0.000 0.248 159 V C 2.243 178.445 176.094 0.179 0.000 1.055 159 V CA 1.712 64.073 62.300 0.101 0.000 1.049 159 V CB -0.530 31.387 31.823 0.158 0.000 0.662 159 V HN 0.389 nan 8.190 nan 0.000 0.455 160 I N 0.471 121.157 120.570 0.192 0.000 2.226 160 I HA -0.236 3.548 4.170 -0.644 0.000 0.245 160 I C 2.652 178.837 176.117 0.113 0.000 1.100 160 I CA 1.456 62.844 61.300 0.148 0.000 1.374 160 I CB -0.551 37.491 38.000 0.069 0.000 1.057 160 I HN 0.295 nan 8.210 nan 0.000 0.413 161 A N 0.472 123.336 122.820 0.073 0.000 1.933 161 A HA -0.229 3.705 4.320 -0.644 0.000 0.218 161 A C 1.925 179.534 177.584 0.043 0.000 1.175 161 A CA 1.997 54.062 52.037 0.047 0.000 0.628 161 A CB -0.527 18.491 19.000 0.030 0.000 0.814 161 A HN 0.331 nan 8.150 nan 0.000 0.444 162 D N -1.418 118.995 120.400 0.021 0.000 2.117 162 D HA -0.123 4.130 4.640 -0.644 0.000 0.198 162 D C 1.637 177.929 176.300 -0.013 0.000 0.982 162 D CA 1.235 55.216 54.000 -0.031 0.000 0.828 162 D CB -0.395 40.342 40.800 -0.106 0.000 0.967 162 D HN 0.556 nan 8.370 nan 0.000 0.464 163 Y N 1.008 121.315 120.300 0.012 0.000 2.145 163 Y HA -0.086 4.069 4.550 -0.657 0.000 0.286 163 Y C 2.588 178.469 175.900 -0.031 0.000 1.145 163 Y CA 1.043 59.136 58.100 -0.013 0.000 1.148 163 Y CB -0.266 38.157 38.460 -0.062 0.000 0.981 163 Y HN -0.136 nan 8.280 nan 0.000 0.507 164 R N 0.002 120.584 120.500 0.137 0.000 2.083 164 R HA -0.267 3.687 4.340 -0.644 0.000 0.237 164 R C 2.256 178.582 176.300 0.044 0.000 1.137 164 R CA 1.962 58.096 56.100 0.056 0.000 0.951 164 R CB -0.221 30.100 30.300 0.034 0.000 0.851 164 R HN 0.254 nan 8.270 nan 0.000 0.434 165 Q N 0.134 119.963 119.800 0.049 0.000 2.119 165 Q HA -0.021 3.932 4.340 -0.644 0.000 0.201 165 Q C 1.755 177.787 176.000 0.054 0.000 0.972 165 Q CA 1.938 57.768 55.803 0.046 0.000 0.847 165 Q CB -0.235 28.532 28.738 0.048 0.000 0.903 165 Q HN 0.425 nan 8.270 nan 0.000 0.433 166 A N 0.205 123.062 122.820 0.062 0.000 1.972 166 A HA -0.056 3.877 4.320 -0.644 0.000 0.219 166 A C 2.251 179.847 177.584 0.020 0.000 1.169 166 A CA 1.796 53.870 52.037 0.062 0.000 0.635 166 A CB -1.038 18.003 19.000 0.069 0.000 0.810 166 A HN 0.501 nan 8.150 nan 0.000 0.446 167 A N -0.196 122.631 122.820 0.012 0.000 1.898 167 A HA -0.002 3.932 4.320 -0.644 0.000 0.216 167 A C 2.147 179.714 177.584 -0.029 0.000 1.181 167 A CA 1.401 53.414 52.037 -0.039 0.000 0.620 167 A CB -0.569 18.404 19.000 -0.045 0.000 0.819 167 A HN 0.466 nan 8.150 nan 0.000 0.442 168 L N -0.212 121.011 121.223 -0.000 0.000 2.083 168 L HA -0.203 3.751 4.340 -0.644 0.000 0.209 168 L C 2.235 179.124 176.870 0.031 0.000 1.083 168 L CA 1.204 56.051 54.840 0.010 0.000 0.752 168 L CB -0.711 41.360 42.059 0.019 0.000 0.899 168 L HN 0.360 nan 8.230 nan 0.000 0.433 169 N N 0.468 119.196 118.700 0.047 0.000 2.166 169 N HA -0.151 4.202 4.740 -0.644 0.000 0.186 169 N C 1.883 177.453 175.510 0.101 0.000 1.019 169 N CA 1.527 54.624 53.050 0.079 0.000 0.856 169 N CB -0.333 38.214 38.487 0.100 0.000 0.993 169 N HN 0.311 nan 8.380 nan 0.000 0.426 170 A N 1.049 123.899 122.820 0.050 0.000 1.933 170 A HA -0.084 3.850 4.320 -0.644 0.000 0.218 170 A C 2.140 179.833 177.584 0.182 0.000 1.175 170 A CA 1.208 53.298 52.037 0.087 0.000 0.628 170 A CB -0.289 18.588 19.000 -0.205 0.000 0.814 170 A HN 0.090 nan 8.150 nan 0.000 0.444 171 M N -0.693 118.946 119.600 0.065 0.000 2.175 171 M HA -0.091 4.002 4.480 -0.644 0.000 0.264 171 M C 1.971 178.310 176.300 0.066 0.000 1.063 171 M CA 1.618 56.949 55.300 0.051 0.000 1.119 171 M CB -1.363 31.239 32.600 0.004 0.000 1.377 171 M HN 0.691 nan 8.290 nan 0.000 0.415 172 E N 0.272 120.515 120.200 0.071 0.000 2.204 172 E HA -0.090 3.874 4.350 -0.644 0.000 0.194 172 E C 1.642 178.291 176.600 0.081 0.000 0.989 172 E CA 1.064 57.504 56.400 0.067 0.000 0.824 172 E CB 0.140 29.880 29.700 0.067 0.000 0.756 172 E HN 0.437 nan 8.360 nan 0.000 0.477 173 A N -0.152 122.743 122.820 0.125 0.000 2.238 173 A HA 0.235 4.168 4.320 -0.644 0.000 0.208 173 A C 1.671 179.237 177.584 -0.029 0.000 1.177 173 A CA 0.891 52.996 52.037 0.113 0.000 0.804 173 A CB -0.320 18.841 19.000 0.268 0.000 0.823 173 A HN 0.459 nan 8.150 nan 0.000 0.482 174 G N -1.985 106.821 108.800 0.011 0.000 2.157 174 G HA2 -0.251 3.322 3.960 -0.644 0.000 0.239 174 G HA3 -0.251 3.322 3.960 -0.644 0.000 0.239 174 G C 0.055 174.950 174.900 -0.009 0.000 0.982 174 G CA 0.021 45.118 45.100 -0.004 0.000 0.650 174 G HN 0.328 nan 8.290 nan 0.000 0.527 175 F N 1.232 121.168 119.950 -0.023 0.000 2.496 175 F HA 0.293 4.438 4.527 -0.637 0.000 0.344 175 F C 1.601 177.356 175.800 -0.075 0.000 1.155 175 F CA 0.419 58.369 58.000 -0.084 0.000 1.302 175 F CB 0.585 39.453 39.000 -0.220 0.000 1.159 175 F HN -0.018 nan 8.300 nan 0.000 0.595 176 D N 1.031 121.526 120.400 0.158 0.000 2.347 176 D HA 0.173 4.426 4.640 -0.644 0.000 0.213 176 D C 0.874 176.917 176.300 -0.429 0.000 0.985 176 D CA 0.766 54.786 54.000 0.034 0.000 0.879 176 D CB 0.419 41.392 40.800 0.289 0.000 0.919 176 D HN 0.660 nan 8.370 nan 0.000 0.526 177 G N 0.477 108.732 108.800 -0.908 0.000 2.340 177 G HA2 0.421 3.995 3.960 -0.644 0.000 0.299 177 G HA3 0.421 3.995 3.960 -0.644 0.000 0.299 177 G C -1.846 172.350 174.900 -1.173 0.000 1.291 177 G CA -0.708 43.461 45.100 -1.552 0.000 0.841 177 G HN 0.079 nan 8.290 nan 0.000 0.500 178 I N -2.679 117.418 120.570 -0.789 0.000 2.828 178 I HA 0.883 4.666 4.170 -0.644 0.000 0.302 178 I C -0.706 175.373 176.117 -0.064 0.000 1.101 178 I CA -1.212 59.877 61.300 -0.351 0.000 1.031 178 I CB 2.582 40.410 38.000 -0.287 0.000 1.231 178 I HN 0.618 nan 8.210 nan 0.000 0.427 179 E N 3.732 123.923 120.200 -0.015 0.000 2.165 179 E HA 0.441 4.404 4.350 -0.644 0.000 0.266 179 E C -1.625 174.949 176.600 -0.044 0.000 0.889 179 E CA -1.008 55.392 56.400 0.001 0.000 0.756 179 E CB 1.798 31.580 29.700 0.137 0.000 1.131 179 E HN 0.783 nan 8.360 nan 0.000 0.411 180 L N 5.703 126.878 121.223 -0.081 0.000 2.315 180 L HA 0.166 4.119 4.340 -0.644 0.000 0.283 180 L C -0.550 176.353 176.870 0.056 0.000 1.089 180 L CA -0.143 54.666 54.840 -0.052 0.000 0.833 180 L CB 0.424 42.371 42.059 -0.186 0.000 1.170 180 L HN 0.572 nan 8.230 nan 0.000 0.442 181 H N 5.322 124.424 119.070 0.053 0.000 3.067 181 H HA 0.408 4.496 4.556 -0.780 0.000 0.265 181 H C 0.069 175.510 175.328 0.187 0.000 1.234 181 H CA 0.196 56.299 56.048 0.093 0.000 1.452 181 H CB 0.565 30.369 29.762 0.069 0.000 1.527 181 H HN 0.710 nan 8.280 nan 0.000 0.486 182 A N 3.884 126.928 122.820 0.373 0.000 2.630 182 A HA 0.623 4.556 4.320 -0.644 0.000 0.290 182 A C 0.649 178.426 177.584 0.321 0.000 1.267 182 A CA 0.275 52.471 52.037 0.266 0.000 0.950 182 A CB -0.056 19.015 19.000 0.117 0.000 1.144 182 A HN 0.664 nan 8.150 nan 0.000 0.527 183 A N -0.630 122.479 122.820 0.481 0.000 2.578 183 A HA 0.625 4.558 4.320 -0.644 0.000 0.255 183 A C 0.255 178.043 177.584 0.340 0.000 1.251 183 A CA -0.477 51.786 52.037 0.376 0.000 0.882 183 A CB 0.152 19.325 19.000 0.289 0.000 1.416 183 A HN 0.331 nan 8.150 nan 0.000 0.462 184 N N -0.544 118.304 118.700 0.246 0.000 2.701 184 N HA -0.202 4.151 4.740 -0.644 0.000 0.252 184 N C 0.881 176.221 175.510 -0.283 0.000 1.002 184 N CA 2.401 55.505 53.050 0.089 0.000 0.758 184 N CB -1.525 37.145 38.487 0.306 0.000 0.937 184 N HN 2.110 nan 8.380 nan 0.000 0.538 185 G N -2.689 106.026 108.800 -0.142 0.000 2.166 185 G HA2 -0.391 3.182 3.960 -0.644 0.000 0.260 185 G HA3 -0.391 3.182 3.960 -0.644 0.000 0.260 185 G C 0.279 175.035 174.900 -0.241 0.000 0.986 185 G CA 0.790 45.779 45.100 -0.184 0.000 0.683 185 G HN 0.590 nan 8.290 nan 0.000 0.527 186 Y N -1.583 118.793 120.300 0.127 0.000 2.370 186 Y HA 0.487 4.663 4.550 -0.624 0.000 0.377 186 Y C 1.912 177.915 175.900 0.172 0.000 1.371 186 Y CA -0.561 57.618 58.100 0.132 0.000 1.756 186 Y CB -0.096 38.438 38.460 0.124 0.000 1.693 186 Y HN 0.042 nan 8.280 nan 0.000 0.595 187 L N 0.723 122.191 121.223 0.407 0.000 1.991 187 L HA -0.294 3.660 4.340 -0.644 0.000 0.221 187 L C 1.852 178.994 176.870 0.453 0.000 1.079 187 L CA 1.925 56.972 54.840 0.345 0.000 0.778 187 L CB -0.953 41.252 42.059 0.243 0.000 0.893 187 L HN 0.675 nan 8.230 nan 0.000 0.437 188 I N -0.596 120.240 120.570 0.444 0.000 2.286 188 I HA -0.279 3.504 4.170 -0.644 0.000 0.248 188 I C 2.207 178.558 176.117 0.389 0.000 1.115 188 I CA 1.306 62.866 61.300 0.432 0.000 1.392 188 I CB -0.596 37.523 38.000 0.199 0.000 1.065 188 I HN 0.447 nan 8.210 nan 0.000 0.418 189 N N 1.175 120.063 118.700 0.313 0.000 2.223 189 N HA -0.200 4.154 4.740 -0.644 0.000 0.185 189 N C 1.797 177.443 175.510 0.225 0.000 1.016 189 N CA 1.379 54.585 53.050 0.260 0.000 0.863 189 N CB -0.028 38.587 38.487 0.214 0.000 0.983 189 N HN 0.427 nan 8.380 nan 0.000 0.429 190 Q N -1.605 118.328 119.800 0.222 0.000 2.364 190 Q HA -0.021 3.932 4.340 -0.644 0.000 0.207 190 Q C 1.071 177.086 176.000 0.024 0.000 0.970 190 Q CA 0.867 56.726 55.803 0.094 0.000 0.888 190 Q CB 0.005 28.766 28.738 0.039 0.000 0.951 190 Q HN 0.378 nan 8.270 nan 0.000 0.469 191 F N -0.755 119.241 119.950 0.076 0.000 2.317 191 F HA 0.057 4.194 4.527 -0.650 0.000 0.290 191 F C 1.795 177.642 175.800 0.078 0.000 1.075 191 F CA 0.315 58.359 58.000 0.072 0.000 1.380 191 F CB 0.036 39.117 39.000 0.134 0.000 1.093 191 F HN -0.028 nan 8.300 nan 0.000 0.524 192 I N -0.307 120.431 120.570 0.281 0.000 2.127 192 I HA -0.232 3.552 4.170 -0.644 0.000 0.241 192 I C 0.087 176.254 176.117 0.083 0.000 1.075 192 I CA 1.080 62.459 61.300 0.131 0.000 1.334 192 I CB -0.491 37.553 38.000 0.072 0.000 1.040 192 I HN -0.081 nan 8.210 nan 0.000 0.405 193 D N 1.046 121.520 120.400 0.123 0.000 2.371 193 D HA 0.021 4.274 4.640 -0.644 0.000 0.256 193 D C 1.426 177.762 176.300 0.061 0.000 1.193 193 D CA 0.263 54.330 54.000 0.113 0.000 0.881 193 D CB 1.304 42.188 40.800 0.140 0.000 1.143 193 D HN 0.174 nan 8.370 nan 0.000 0.473 194 S N 2.663 118.393 115.700 0.050 0.000 2.380 194 S HA -0.272 3.812 4.470 -0.644 0.000 0.229 194 S C 1.217 175.824 174.600 0.011 0.000 1.043 194 S CA 1.095 59.311 58.200 0.026 0.000 1.038 194 S CB -0.253 62.962 63.200 0.025 0.000 0.872 194 S HN 0.575 nan 8.310 nan 0.000 0.456 195 E N 1.174 121.384 120.200 0.016 0.000 2.482 195 E HA 0.190 4.153 4.350 -0.644 0.000 0.196 195 E C 1.651 178.244 176.600 -0.012 0.000 1.047 195 E CA 0.588 56.990 56.400 0.003 0.000 0.869 195 E CB -0.129 29.577 29.700 0.010 0.000 0.836 195 E HN 0.777 nan 8.360 nan 0.000 0.520 196 A N 1.131 123.942 122.820 -0.016 0.000 2.431 196 A HA 0.084 4.017 4.320 -0.644 0.000 0.239 196 A C 0.519 178.046 177.584 -0.096 0.000 1.230 196 A CA -0.254 51.756 52.037 -0.044 0.000 0.928 196 A CB 0.050 19.035 19.000 -0.024 0.000 1.006 196 A HN 0.096 nan 8.150 nan 0.000 0.520 197 N N 0.595 119.245 118.700 -0.084 0.000 2.524 197 N HA 0.214 4.567 4.740 -0.644 0.000 0.261 197 N C -0.890 174.568 175.510 -0.087 0.000 0.998 197 N CA -0.446 52.525 53.050 -0.131 0.000 0.915 197 N CB 0.438 38.864 38.487 -0.102 0.000 1.187 197 N HN 0.062 nan 8.380 nan 0.000 0.507 198 N N 2.354 120.994 118.700 -0.101 0.000 2.275 198 N HA 0.112 4.465 4.740 -0.644 0.000 0.236 198 N C -0.511 174.964 175.510 -0.059 0.000 1.154 198 N CA -0.058 52.953 53.050 -0.065 0.000 0.866 198 N CB 0.536 38.987 38.487 -0.060 0.000 1.093 198 N HN 0.476 nan 8.380 nan 0.000 0.515 199 R N 0.456 120.915 120.500 -0.068 0.000 2.643 199 R HA 0.087 4.040 4.340 -0.644 0.000 0.270 199 R C 1.153 177.453 176.300 0.001 0.000 1.061 199 R CA 0.249 56.329 56.100 -0.034 0.000 1.107 199 R CB 0.421 30.716 30.300 -0.008 0.000 0.999 199 R HN 0.118 nan 8.270 nan 0.000 0.460 200 S N -0.811 114.894 115.700 0.010 0.000 2.539 200 S HA -0.010 4.073 4.470 -0.644 0.000 0.221 200 S C 0.311 174.927 174.600 0.026 0.000 0.987 200 S CA -0.426 57.781 58.200 0.012 0.000 0.929 200 S CB -0.067 63.135 63.200 0.003 0.000 0.832 200 S HN 0.699 nan 8.310 nan 0.000 0.492 201 D N 2.384 122.817 120.400 0.054 0.000 2.496 201 D HA 0.068 4.322 4.640 -0.644 0.000 0.283 201 D C 1.097 177.425 176.300 0.047 0.000 1.214 201 D CA -0.445 53.595 54.000 0.067 0.000 1.089 201 D CB -0.023 40.849 40.800 0.121 0.000 1.141 201 D HN 0.351 nan 8.370 nan 0.000 0.580 202 E N -1.417 118.780 120.200 -0.006 0.000 2.515 202 E HA -0.167 3.796 4.350 -0.644 0.000 0.201 202 E C 0.385 176.827 176.600 -0.263 0.000 1.071 202 E CA 0.649 56.955 56.400 -0.156 0.000 0.880 202 E CB -0.523 29.021 29.700 -0.259 0.000 0.828 202 E HN 0.457 nan 8.360 nan 0.000 0.540 203 Y N 0.482 120.835 120.300 0.089 0.000 2.555 203 Y HA 0.418 4.582 4.550 -0.644 0.000 0.259 203 Y C 0.868 176.858 175.900 0.151 0.000 1.179 203 Y CA 0.044 58.242 58.100 0.163 0.000 1.230 203 Y CB 1.457 40.074 38.460 0.261 0.000 1.146 203 Y HN 0.158 nan 8.280 nan 0.000 0.526 204 G N -2.493 106.402 108.800 0.158 0.000 2.649 204 G HA2 0.459 4.032 3.960 -0.644 0.000 0.290 204 G HA3 0.459 4.032 3.960 -0.644 0.000 0.290 204 G C 0.389 175.314 174.900 0.042 0.000 1.426 204 G CA -0.268 44.886 45.100 0.089 0.000 0.794 204 G HN 0.275 nan 8.290 nan 0.000 0.483 205 G N -1.268 107.547 108.800 0.025 0.000 2.241 205 G HA2 0.138 3.711 3.960 -0.644 0.000 0.244 205 G HA3 0.138 3.711 3.960 -0.644 0.000 0.244 205 G C 0.614 175.519 174.900 0.010 0.000 0.998 205 G CA 1.253 46.361 45.100 0.012 0.000 0.621 205 G HN 2.438 nan 8.290 nan 0.000 0.519 206 S N -1.349 114.359 115.700 0.013 0.000 2.596 206 S HA 0.687 4.771 4.470 -0.644 0.000 0.270 206 S C 0.593 175.201 174.600 0.013 0.000 1.155 206 S CA 0.147 58.352 58.200 0.008 0.000 0.827 206 S CB 1.587 64.787 63.200 0.000 0.000 1.130 206 S HN 1.304 nan 8.310 nan 0.000 0.467 207 L N 1.571 122.798 121.223 0.007 0.000 2.017 207 L HA 0.077 4.030 4.340 -0.644 0.000 0.208 207 L C 2.500 179.374 176.870 0.006 0.000 1.073 207 L CA 2.656 57.498 54.840 0.005 0.000 0.745 207 L CB -1.072 40.987 42.059 0.000 0.000 0.894 207 L HN 1.046 nan 8.230 nan 0.000 0.432 208 E N -0.834 119.367 120.200 0.001 0.000 2.085 208 E HA -0.269 3.694 4.350 -0.644 0.000 0.194 208 E C 1.823 178.422 176.600 -0.002 0.000 0.994 208 E CA 1.521 57.919 56.400 -0.004 0.000 0.801 208 E CB -0.064 29.628 29.700 -0.013 0.000 0.743 208 E HN 0.559 nan 8.360 nan 0.000 0.453 209 N N 0.500 119.199 118.700 -0.001 0.000 2.142 209 N HA -0.102 4.251 4.740 -0.644 0.000 0.186 209 N C 1.689 177.251 175.510 0.087 0.000 1.023 209 N CA 0.971 54.021 53.050 0.001 0.000 0.852 209 N CB -0.244 38.243 38.487 0.000 0.000 0.998 209 N HN 0.171 nan 8.380 nan 0.000 0.424 210 R N 0.206 120.763 120.500 0.095 0.000 2.189 210 R HA 0.079 4.033 4.340 -0.644 0.000 0.223 210 R C 1.387 177.785 176.300 0.164 0.000 1.092 210 R CA 0.606 56.797 56.100 0.152 0.000 0.989 210 R CB -0.084 30.267 30.300 0.086 0.000 0.876 210 R HN 0.247 nan 8.270 nan 0.000 0.457 211 L N -0.485 120.793 121.223 0.091 0.000 2.607 211 L HA 0.123 4.076 4.340 -0.644 0.000 0.228 211 L C 2.319 179.240 176.870 0.084 0.000 1.123 211 L CA 0.012 54.890 54.840 0.064 0.000 0.890 211 L CB -0.130 41.935 42.059 0.011 0.000 1.103 211 L HN 0.088 nan 8.230 nan 0.000 0.468 212 R N 0.430 120.998 120.500 0.114 0.000 2.073 212 R HA -0.225 3.729 4.340 -0.644 0.000 0.234 212 R C 2.291 178.725 176.300 0.223 0.000 1.134 212 R CA 1.775 57.935 56.100 0.100 0.000 0.952 212 R CB -0.251 30.008 30.300 -0.069 0.000 0.850 212 R HN 0.200 nan 8.270 nan 0.000 0.433 213 F N 1.260 121.284 119.950 0.124 0.000 2.134 213 F HA -0.199 3.939 4.527 -0.649 0.000 0.299 213 F C 1.918 177.626 175.800 -0.152 0.000 1.097 213 F CA 1.342 59.276 58.000 -0.109 0.000 1.264 213 F CB -0.628 37.963 39.000 -0.682 0.000 1.001 213 F HN 0.092 nan 8.300 nan 0.000 0.479 214 L N 0.619 121.762 121.223 -0.133 0.000 2.042 214 L HA -0.207 3.747 4.340 -0.644 0.000 0.210 214 L C 2.007 178.730 176.870 -0.245 0.000 1.076 214 L CA 2.509 57.203 54.840 -0.242 0.000 0.749 214 L CB -1.298 40.704 42.059 -0.095 0.000 0.893 214 L HN 0.215 nan 8.230 nan 0.000 0.432 215 D N -0.670 119.671 120.400 -0.100 0.000 2.104 215 D HA -0.232 4.021 4.640 -0.644 0.000 0.194 215 D C 2.023 178.261 176.300 -0.103 0.000 0.994 215 D CA 1.803 55.785 54.000 -0.030 0.000 0.830 215 D CB -0.026 40.819 40.800 0.075 0.000 0.959 215 D HN 0.577 nan 8.370 nan 0.000 0.452 216 E N -0.613 119.531 120.200 -0.092 0.000 2.106 216 E HA -0.099 3.864 4.350 -0.644 0.000 0.192 216 E C 2.308 178.772 176.600 -0.228 0.000 0.984 216 E CA 0.603 56.949 56.400 -0.090 0.000 0.806 216 E CB 0.178 29.893 29.700 0.026 0.000 0.750 216 E HN 0.174 nan 8.360 nan 0.000 0.458 217 V N 0.838 120.491 119.914 -0.435 0.000 2.307 217 V HA -0.216 3.518 4.120 -0.644 0.000 0.245 217 V C 2.301 178.132 176.094 -0.438 0.000 1.045 217 V CA 1.260 63.238 62.300 -0.536 0.000 1.024 217 V CB -0.264 31.012 31.823 -0.910 0.000 0.651 217 V HN 0.134 nan 8.190 nan 0.000 0.449 218 V N 0.346 119.979 119.914 -0.468 0.000 2.407 218 V HA -0.246 3.487 4.120 -0.644 0.000 0.248 218 V C 2.709 178.534 176.094 -0.449 0.000 1.055 218 V CA 1.892 63.893 62.300 -0.498 0.000 1.049 218 V CB -1.123 30.303 31.823 -0.661 0.000 0.662 218 V HN 0.556 nan 8.190 nan 0.000 0.455 219 A N 0.108 122.702 122.820 -0.376 0.000 1.908 219 A HA -0.171 3.762 4.320 -0.644 0.000 0.218 219 A C 2.428 179.959 177.584 -0.089 0.000 1.181 219 A CA 2.258 54.224 52.037 -0.118 0.000 0.627 219 A CB -0.777 18.244 19.000 0.035 0.000 0.818 219 A HN 0.579 nan 8.150 nan 0.000 0.445 220 A N -0.430 122.321 122.820 -0.115 0.000 1.898 220 A HA 0.014 3.948 4.320 -0.644 0.000 0.216 220 A C 2.177 179.712 177.584 -0.081 0.000 1.181 220 A CA 1.425 53.417 52.037 -0.076 0.000 0.620 220 A CB -0.564 18.396 19.000 -0.067 0.000 0.819 220 A HN 0.470 nan 8.150 nan 0.000 0.442 221 L N -0.652 120.491 121.223 -0.133 0.000 2.017 221 L HA -0.152 3.801 4.340 -0.644 0.000 0.208 221 L C 2.527 179.336 176.870 -0.101 0.000 1.073 221 L CA 1.068 55.834 54.840 -0.123 0.000 0.745 221 L CB -0.599 41.351 42.059 -0.182 0.000 0.894 221 L HN 0.233 nan 8.230 nan 0.000 0.432 222 V N 0.002 119.853 119.914 -0.105 0.000 2.343 222 V HA -0.321 3.413 4.120 -0.644 0.000 0.247 222 V C 2.184 178.259 176.094 -0.032 0.000 1.051 222 V CA 2.162 64.426 62.300 -0.059 0.000 1.036 222 V CB -0.481 31.329 31.823 -0.022 0.000 0.654 222 V HN 0.487 nan 8.190 nan 0.000 0.451 223 D N 0.044 120.429 120.400 -0.026 0.000 2.144 223 D HA -0.147 4.107 4.640 -0.644 0.000 0.199 223 D C 2.082 178.372 176.300 -0.017 0.000 0.984 223 D CA 1.532 55.524 54.000 -0.013 0.000 0.834 223 D CB -0.095 40.700 40.800 -0.008 0.000 0.955 223 D HN 0.394 nan 8.370 nan 0.000 0.465 224 A N 0.216 123.020 122.820 -0.027 0.000 1.872 224 A HA 0.008 3.941 4.320 -0.644 0.000 0.214 224 A C 2.232 179.799 177.584 -0.029 0.000 1.187 224 A CA 1.649 53.671 52.037 -0.023 0.000 0.614 224 A CB -0.536 18.450 19.000 -0.024 0.000 0.826 224 A HN 0.514 nan 8.150 nan 0.000 0.442 225 I N -5.632 114.911 120.570 -0.045 0.000 4.338 225 I HA 0.563 4.347 4.170 -0.644 0.000 0.329 225 I C 0.600 176.686 176.117 -0.051 0.000 1.378 225 I CA 0.145 61.414 61.300 -0.052 0.000 1.170 225 I CB 0.404 38.357 38.000 -0.079 0.000 1.206 225 I HN 0.502 nan 8.210 nan 0.000 0.432 226 G N 1.562 110.338 108.800 -0.040 0.000 2.907 226 G HA2 0.030 3.603 3.960 -0.644 0.000 0.686 226 G HA3 0.030 3.603 3.960 -0.644 0.000 0.686 226 G C 0.446 175.329 174.900 -0.028 0.000 1.115 226 G CA -0.333 44.751 45.100 -0.026 0.000 0.760 226 G HN 0.549 nan 8.290 nan 0.000 0.620 227 A N 0.951 123.767 122.820 -0.006 0.000 2.019 227 A HA 0.043 3.976 4.320 -0.644 0.000 0.219 227 A C 1.913 179.507 177.584 0.018 0.000 1.164 227 A CA 2.232 54.273 52.037 0.006 0.000 0.644 227 A CB -0.277 18.744 19.000 0.035 0.000 0.805 227 A HN 0.869 nan 8.150 nan 0.000 0.449 228 E N -0.805 119.410 120.200 0.025 0.000 2.478 228 E HA -0.064 3.899 4.350 -0.644 0.000 0.198 228 E C 1.182 177.829 176.600 0.078 0.000 1.046 228 E CA 0.407 56.841 56.400 0.056 0.000 0.870 228 E CB -0.000 29.729 29.700 0.048 0.000 0.818 228 E HN 0.515 nan 8.360 nan 0.000 0.527 229 R N 0.223 120.721 120.500 -0.003 0.000 2.577 229 R HA 0.200 4.154 4.340 -0.644 0.000 0.344 229 R C -0.726 175.464 176.300 -0.183 0.000 1.037 229 R CA -0.061 55.970 56.100 -0.115 0.000 1.102 229 R CB 1.390 31.576 30.300 -0.190 0.000 1.313 229 R HN -0.115 nan 8.270 nan 0.000 0.561 230 V N 0.583 120.452 119.914 -0.074 0.000 2.444 230 V HA 0.582 4.316 4.120 -0.644 0.000 0.294 230 V C 0.249 176.212 176.094 -0.217 0.000 1.022 230 V CA -0.829 61.387 62.300 -0.140 0.000 0.850 230 V CB 1.673 33.409 31.823 -0.145 0.000 0.992 230 V HN 0.289 nan 8.190 nan 0.000 0.426 231 G N 3.108 111.666 108.800 -0.403 0.000 2.473 231 G HA2 0.747 4.320 3.960 -0.644 0.000 0.321 231 G HA3 0.747 4.320 3.960 -0.644 0.000 0.321 231 G C -1.489 173.119 174.900 -0.487 0.000 1.200 231 G CA -0.663 43.862 45.100 -0.959 0.000 0.963 231 G HN 0.548 nan 8.290 nan 0.000 0.483 232 V N 0.341 120.058 119.914 -0.329 0.000 2.760 232 V HA 0.578 4.312 4.120 -0.644 0.000 0.309 232 V C -0.205 175.872 176.094 -0.028 0.000 1.077 232 V CA -0.919 61.291 62.300 -0.149 0.000 0.910 232 V CB 2.031 33.753 31.823 -0.167 0.000 1.008 232 V HN 0.805 nan 8.190 nan 0.000 0.424 233 R N 3.518 124.012 120.500 -0.009 0.000 2.393 233 R HA 0.817 4.770 4.340 -0.644 0.000 0.310 233 R C -1.579 174.734 176.300 0.022 0.000 0.968 233 R CA -0.480 55.595 56.100 -0.042 0.000 0.867 233 R CB 1.199 31.372 30.300 -0.212 0.000 1.124 233 R HN 0.695 nan 8.270 nan 0.000 0.450 234 L N 2.117 123.343 121.223 0.004 0.000 2.333 234 L HA 0.726 4.679 4.340 -0.644 0.000 0.263 234 L C -0.604 176.270 176.870 0.007 0.000 1.014 234 L CA -1.119 53.783 54.840 0.104 0.000 0.820 234 L CB 2.291 44.470 42.059 0.200 0.000 1.352 234 L HN 0.738 nan 8.230 nan 0.000 0.421 235 A N 1.421 124.238 122.820 -0.005 0.000 2.943 235 A HA 0.559 4.493 4.320 -0.644 0.000 0.327 235 A C -2.274 175.075 177.584 -0.392 0.000 1.141 235 A CA -1.082 50.888 52.037 -0.111 0.000 0.773 235 A CB 0.375 19.377 19.000 0.003 0.000 1.143 235 A HN 0.490 nan 8.150 nan 0.000 0.463 236 P HA -0.125 nan 4.420 nan 0.000 0.215 236 P C 1.017 178.042 177.300 -0.458 0.000 1.153 236 P CA 1.154 63.532 63.100 -1.204 0.000 0.853 236 P CB 0.252 31.677 31.700 -0.458 0.000 0.788 237 L N -2.907 118.211 121.223 -0.176 0.000 2.642 237 L HA 0.166 4.120 4.340 -0.644 0.000 0.233 237 L C 0.957 177.811 176.870 -0.026 0.000 1.077 237 L CA 0.062 54.861 54.840 -0.068 0.000 0.879 237 L CB -0.754 41.301 42.059 -0.006 0.000 1.151 237 L HN -0.047 nan 8.230 nan 0.000 0.495 238 T N -1.996 112.547 114.554 -0.017 0.000 2.898 238 T HA 0.223 4.187 4.350 -0.644 0.000 0.301 238 T C 0.840 175.554 174.700 0.023 0.000 1.049 238 T CA 0.266 62.377 62.100 0.019 0.000 1.095 238 T CB 1.320 70.210 68.868 0.036 0.000 0.976 238 T HN 0.250 nan 8.240 nan 0.000 0.539 239 T N -0.975 113.604 114.554 0.040 0.000 3.262 239 T HA 0.150 4.113 4.350 -0.644 0.000 0.300 239 T C 1.348 176.078 174.700 0.049 0.000 0.959 239 T CA -0.379 61.744 62.100 0.039 0.000 0.936 239 T CB -0.154 68.734 68.868 0.033 0.000 1.169 239 T HN 0.350 nan 8.240 nan 0.000 0.532 240 L N 2.452 123.720 121.223 0.075 0.000 2.051 240 L HA 0.008 3.962 4.340 -0.644 0.000 0.214 240 L C 1.331 178.247 176.870 0.078 0.000 1.076 240 L CA 1.863 56.763 54.840 0.100 0.000 0.758 240 L CB -0.647 41.516 42.059 0.174 0.000 0.890 240 L HN 0.242 nan 8.230 nan 0.000 0.433 241 N N -0.089 118.639 118.700 0.047 0.000 2.362 241 N HA 0.173 4.526 4.740 -0.644 0.000 0.204 241 N C 1.155 176.656 175.510 -0.015 0.000 1.166 241 N CA 0.867 53.919 53.050 0.002 0.000 0.831 241 N CB 0.398 38.822 38.487 -0.105 0.000 1.008 241 N HN 0.555 nan 8.380 nan 0.000 0.472 242 G N 0.059 108.863 108.800 0.006 0.000 2.176 242 G HA2 -0.255 3.319 3.960 -0.644 0.000 0.232 242 G HA3 -0.255 3.319 3.960 -0.644 0.000 0.232 242 G C 0.172 175.075 174.900 0.006 0.000 0.986 242 G CA 0.329 45.431 45.100 0.004 0.000 0.643 242 G HN 0.439 nan 8.290 nan 0.000 0.522 243 T N -1.068 113.494 114.554 0.013 0.000 2.758 243 T HA 0.722 4.686 4.350 -0.644 0.000 0.285 243 T C -0.378 174.352 174.700 0.050 0.000 0.981 243 T CA -0.604 61.516 62.100 0.034 0.000 0.965 243 T CB 2.657 71.558 68.868 0.055 0.000 0.927 243 T HN 0.842 nan 8.240 nan 0.000 0.448 244 V N 2.880 122.824 119.914 0.049 0.000 2.588 244 V HA 0.553 4.286 4.120 -0.644 0.000 0.304 244 V C -0.623 175.512 176.094 0.069 0.000 1.042 244 V CA -0.852 61.480 62.300 0.053 0.000 0.877 244 V CB 1.917 33.759 31.823 0.032 0.000 0.996 244 V HN 1.034 nan 8.190 nan 0.000 0.425 245 D N 2.531 122.987 120.400 0.094 0.000 2.248 245 D HA 0.684 4.937 4.640 -0.644 0.000 0.246 245 D C 0.811 177.150 176.300 0.065 0.000 1.027 245 D CA 0.098 54.160 54.000 0.103 0.000 0.853 245 D CB 2.359 43.275 40.800 0.194 0.000 1.243 245 D HN 0.565 nan 8.370 nan 0.000 0.462 246 A N 3.015 125.862 122.820 0.045 0.000 1.930 246 A HA -0.028 3.905 4.320 -0.644 0.000 0.217 246 A C 1.012 178.608 177.584 0.020 0.000 1.175 246 A CA 1.156 53.208 52.037 0.026 0.000 0.627 246 A CB -0.028 18.983 19.000 0.018 0.000 0.815 246 A HN 0.558 nan 8.150 nan 0.000 0.443 247 D N -2.147 118.270 120.400 0.030 0.000 2.613 247 D HA 0.325 4.578 4.640 -0.644 0.000 0.312 247 D C -2.180 174.144 176.300 0.040 0.000 1.202 247 D CA -1.883 52.127 54.000 0.016 0.000 0.825 247 D CB 0.758 41.567 40.800 0.014 0.000 1.113 247 D HN 0.001 nan 8.370 nan 0.000 0.502 248 P HA -0.159 nan 4.420 nan 0.000 0.216 248 P C 1.783 179.124 177.300 0.067 0.000 1.157 248 P CA 0.675 63.857 63.100 0.137 0.000 0.880 248 P CB 0.382 32.076 31.700 -0.009 0.000 0.791 249 I N -1.442 119.016 120.570 -0.187 0.000 2.163 249 I HA -0.199 3.584 4.170 -0.644 0.000 0.243 249 I C 2.281 178.437 176.117 0.065 0.000 1.085 249 I CA 1.480 62.623 61.300 -0.261 0.000 1.347 249 I CB -1.742 36.099 38.000 -0.266 0.000 1.044 249 I HN -0.003 nan 8.210 nan 0.000 0.408 250 L N 0.546 121.798 121.223 0.049 0.000 2.027 250 L HA -0.137 3.817 4.340 -0.644 0.000 0.206 250 L C 2.505 179.422 176.870 0.079 0.000 1.074 250 L CA 2.020 56.902 54.840 0.071 0.000 0.745 250 L CB -0.981 41.101 42.059 0.038 0.000 0.898 250 L HN 0.146 nan 8.230 nan 0.000 0.433 251 T N -1.054 113.537 114.554 0.062 0.000 2.652 251 T HA -0.228 3.735 4.350 -0.644 0.000 0.267 251 T C 1.697 176.335 174.700 -0.103 0.000 1.039 251 T CA 2.301 64.380 62.100 -0.035 0.000 1.153 251 T CB -0.530 68.293 68.868 -0.075 0.000 0.863 251 T HN 0.379 nan 8.240 nan 0.000 0.428 252 Y N 1.176 121.564 120.300 0.147 0.000 2.457 252 Y HA -0.002 4.160 4.550 -0.647 0.000 0.292 252 Y C 2.905 178.936 175.900 0.220 0.000 1.125 252 Y CA 0.649 58.872 58.100 0.205 0.000 1.254 252 Y CB -0.628 38.021 38.460 0.316 0.000 1.012 252 Y HN 0.170 nan 8.280 nan 0.000 0.555 253 T N -0.420 114.350 114.554 0.359 0.000 2.857 253 T HA -0.147 3.816 4.350 -0.644 0.000 0.266 253 T C 2.244 177.035 174.700 0.150 0.000 1.048 253 T CA 1.171 63.433 62.100 0.270 0.000 1.139 253 T CB -0.434 68.594 68.868 0.267 0.000 0.874 253 T HN 0.420 nan 8.240 nan 0.000 0.455 254 A N 1.466 124.348 122.820 0.103 0.000 1.898 254 A HA 0.202 4.135 4.320 -0.644 0.000 0.216 254 A C 2.629 180.233 177.584 0.034 0.000 1.181 254 A CA 1.712 53.781 52.037 0.053 0.000 0.620 254 A CB -1.048 17.966 19.000 0.022 0.000 0.819 254 A HN 0.488 nan 8.150 nan 0.000 0.442 255 A N -0.024 122.797 122.820 0.002 0.000 1.902 255 A HA 0.138 4.071 4.320 -0.644 0.000 0.217 255 A C 2.507 180.112 177.584 0.035 0.000 1.181 255 A CA 2.134 54.159 52.037 -0.020 0.000 0.623 255 A CB -1.031 17.902 19.000 -0.112 0.000 0.818 255 A HN 1.060 nan 8.150 nan 0.000 0.443 256 A N -0.191 122.674 122.820 0.075 0.000 1.902 256 A HA 0.146 4.080 4.320 -0.644 0.000 0.217 256 A C 2.490 180.157 177.584 0.138 0.000 1.181 256 A CA 2.130 54.219 52.037 0.087 0.000 0.623 256 A CB -0.967 18.103 19.000 0.117 0.000 0.818 256 A HN 1.069 nan 8.150 nan 0.000 0.443 257 A N -0.441 122.447 122.820 0.114 0.000 1.930 257 A HA -0.003 3.930 4.320 -0.644 0.000 0.217 257 A C 2.198 179.834 177.584 0.085 0.000 1.175 257 A CA 1.407 53.505 52.037 0.100 0.000 0.627 257 A CB -0.571 18.471 19.000 0.070 0.000 0.815 257 A HN 0.649 nan 8.150 nan 0.000 0.443 258 L N -0.516 120.751 121.223 0.072 0.000 2.046 258 L HA -0.118 3.835 4.340 -0.644 0.000 0.208 258 L C 2.272 179.227 176.870 0.142 0.000 1.077 258 L CA 1.424 56.307 54.840 0.072 0.000 0.747 258 L CB -0.223 41.874 42.059 0.062 0.000 0.896 258 L HN 0.402 nan 8.230 nan 0.000 0.432 259 L N -0.103 121.206 121.223 0.143 0.000 2.201 259 L HA -0.214 3.740 4.340 -0.644 0.000 0.212 259 L C 2.424 179.442 176.870 0.246 0.000 1.105 259 L CA 1.256 56.198 54.840 0.170 0.000 0.775 259 L CB -0.872 41.188 42.059 0.002 0.000 0.913 259 L HN 0.476 nan 8.230 nan 0.000 0.440 260 N N 0.815 119.679 118.700 0.273 0.000 2.166 260 N HA -0.200 4.153 4.740 -0.644 0.000 0.186 260 N C 1.720 177.296 175.510 0.111 0.000 1.019 260 N CA 1.152 54.360 53.050 0.262 0.000 0.856 260 N CB 0.160 38.755 38.487 0.181 0.000 0.993 260 N HN 0.379 nan 8.380 nan 0.000 0.426 261 K N -0.444 119.984 120.400 0.046 0.000 2.147 261 K HA -0.134 3.799 4.320 -0.644 0.000 0.205 261 K C 1.473 178.012 176.600 -0.102 0.000 1.049 261 K CA 1.189 57.438 56.287 -0.064 0.000 0.936 261 K CB -0.207 32.203 32.500 -0.149 0.000 0.722 261 K HN 0.407 nan 8.250 nan 0.000 0.446 262 H N 0.020 119.104 119.070 0.025 0.000 2.555 262 H HA 0.161 4.332 4.556 -0.641 0.000 0.269 262 H C -0.094 175.247 175.328 0.023 0.000 0.988 262 H CA 0.135 56.188 56.048 0.009 0.000 1.178 262 H CB 0.362 30.116 29.762 -0.012 0.000 1.373 262 H HN 0.014 nan 8.280 nan 0.000 0.588 263 R N 0.149 120.737 120.500 0.146 0.000 3.641 263 R HA -0.167 3.787 4.340 -0.644 0.000 0.286 263 R C -0.271 176.114 176.300 0.141 0.000 1.153 263 R CA 0.678 56.846 56.100 0.113 0.000 0.775 263 R CB -3.086 27.248 30.300 0.057 0.000 1.215 263 R HN 0.610 nan 8.270 nan 0.000 0.474 264 I N -3.757 116.924 120.570 0.185 0.000 2.872 264 I HA -0.022 3.762 4.170 -0.644 0.000 0.291 264 I C 1.875 178.099 176.117 0.179 0.000 1.216 264 I CA -0.006 61.359 61.300 0.108 0.000 1.424 264 I CB 0.621 38.623 38.000 0.003 0.000 1.351 264 I HN -0.137 nan 8.210 nan 0.000 0.592 265 V N 5.613 125.588 119.914 0.100 0.000 2.515 265 V HA -0.113 3.620 4.120 -0.644 0.000 0.250 265 V C 0.225 176.491 176.094 0.287 0.000 1.058 265 V CA 1.667 64.065 62.300 0.163 0.000 1.064 265 V CB -0.675 31.248 31.823 0.166 0.000 0.675 265 V HN 0.892 nan 8.190 nan 0.000 0.461 266 Y N -1.799 118.589 120.300 0.148 0.000 2.581 266 Y HA 0.665 4.822 4.550 -0.656 0.000 0.337 266 Y C -1.449 174.366 175.900 -0.141 0.000 1.108 266 Y CA -2.660 55.488 58.100 0.080 0.000 1.033 266 Y CB 1.225 39.647 38.460 -0.064 0.000 1.318 266 Y HN -0.095 nan 8.280 nan 0.000 0.459 267 L N 3.661 124.897 121.223 0.022 0.000 2.356 267 L HA 0.539 4.493 4.340 -0.644 0.000 0.277 267 L C -1.494 175.366 176.870 -0.016 0.000 0.996 267 L CA -0.462 54.225 54.840 -0.255 0.000 0.822 267 L CB 1.393 42.944 42.059 -0.846 0.000 1.256 267 L HN 0.966 nan 8.230 nan 0.000 0.413 268 H N 5.810 124.838 119.070 -0.071 0.000 2.551 268 H HA 0.513 4.691 4.556 -0.630 0.000 0.321 268 H C -1.022 174.159 175.328 -0.244 0.000 1.028 268 H CA -1.097 54.847 56.048 -0.173 0.000 1.215 268 H CB 1.105 30.835 29.762 -0.053 0.000 1.414 268 H HN 0.488 nan 8.280 nan 0.000 0.480 269 I N 4.441 124.903 120.570 -0.180 0.000 2.321 269 I HA 0.182 3.966 4.170 -0.644 0.000 0.291 269 I C 0.377 176.404 176.117 -0.149 0.000 0.998 269 I CA -0.427 60.697 61.300 -0.293 0.000 1.227 269 I CB 0.810 38.412 38.000 -0.663 0.000 1.368 269 I HN 0.652 nan 8.210 nan 0.000 0.466 270 A N 5.659 128.385 122.820 -0.158 0.000 2.527 270 A HA 0.210 4.144 4.320 -0.644 0.000 0.313 270 A C 1.212 178.788 177.584 -0.012 0.000 1.410 270 A CA -0.336 51.634 52.037 -0.113 0.000 1.060 270 A CB -0.231 18.687 19.000 -0.137 0.000 1.137 270 A HN 0.838 nan 8.150 nan 0.000 0.542 271 E N 1.790 122.033 120.200 0.072 0.000 2.285 271 E HA 0.070 4.033 4.350 -0.644 0.000 0.194 271 E C -0.243 176.392 176.600 0.057 0.000 0.997 271 E CA 0.803 57.275 56.400 0.119 0.000 0.845 271 E CB 0.228 30.076 29.700 0.246 0.000 0.782 271 E HN 0.470 nan 8.360 nan 0.000 0.491 272 V N 0.797 120.727 119.914 0.026 0.000 2.841 272 V HA 0.249 3.983 4.120 -0.644 0.000 0.310 272 V C -1.336 174.742 176.094 -0.026 0.000 1.090 272 V CA -1.002 61.301 62.300 0.005 0.000 0.930 272 V CB 1.996 33.811 31.823 -0.014 0.000 1.014 272 V HN -0.025 nan 8.190 nan 0.000 0.425 273 D N 2.277 122.683 120.400 0.010 0.000 2.473 273 D HA 0.492 4.746 4.640 -0.644 0.000 0.253 273 D C -0.014 176.356 176.300 0.118 0.000 1.233 273 D CA -0.017 53.978 54.000 -0.009 0.000 0.908 273 D CB 0.890 41.761 40.800 0.119 0.000 1.170 273 D HN 0.495 nan 8.370 nan 0.000 0.558 274 W N 1.996 123.361 121.300 0.109 0.000 2.457 274 W HA -0.364 3.881 4.660 -0.693 0.000 0.300 274 W C 1.203 177.779 176.519 0.094 0.000 1.731 274 W CA 1.183 58.599 57.345 0.119 0.000 1.793 274 W CB -0.944 28.601 29.460 0.142 0.000 0.920 274 W HN 0.413 nan 8.180 nan 0.000 0.467 275 D N -0.247 120.372 120.400 0.365 0.000 2.363 275 D HA 0.039 4.293 4.640 -0.644 0.000 0.214 275 D C -0.131 176.257 176.300 0.146 0.000 1.093 275 D CA 0.501 54.626 54.000 0.207 0.000 0.837 275 D CB -0.430 40.479 40.800 0.181 0.000 0.948 275 D HN 0.052 nan 8.370 nan 0.000 0.507 276 D N 1.240 121.734 120.400 0.158 0.000 2.453 276 D HA 0.258 4.511 4.640 -0.644 0.000 0.223 276 D C -0.536 175.808 176.300 0.074 0.000 1.183 276 D CA -0.302 53.764 54.000 0.109 0.000 0.933 276 D CB 0.225 41.099 40.800 0.123 0.000 1.038 276 D HN -0.093 nan 8.370 nan 0.000 0.513 277 A N 5.314 128.166 122.820 0.053 0.000 3.064 277 A HA 0.391 4.325 4.320 -0.644 0.000 0.339 277 A C -2.176 175.421 177.584 0.022 0.000 1.078 277 A CA -1.048 51.006 52.037 0.029 0.000 0.869 277 A CB 0.197 19.206 19.000 0.015 0.000 1.067 277 A HN 0.411 nan 8.150 nan 0.000 0.480 278 P HA 0.147 nan 4.420 nan 0.000 0.272 278 P C -0.552 176.762 177.300 0.023 0.000 1.223 278 P CA -0.016 63.098 63.100 0.023 0.000 0.784 278 P CB 0.718 32.432 31.700 0.023 0.000 0.923 279 D N 0.754 121.165 120.400 0.018 0.000 2.450 279 D HA 0.070 4.324 4.640 -0.644 0.000 0.247 279 D C -0.492 175.837 176.300 0.048 0.000 1.162 279 D CA 0.491 54.503 54.000 0.021 0.000 0.879 279 D CB 0.042 40.850 40.800 0.014 0.000 1.163 279 D HN 0.122 nan 8.370 nan 0.000 0.472 280 T N 5.803 120.399 114.554 0.069 0.000 3.155 280 T HA 0.333 4.296 4.350 -0.644 0.000 0.384 280 T C -2.377 172.410 174.700 0.144 0.000 1.351 280 T CA -1.247 60.944 62.100 0.152 0.000 1.198 280 T CB 1.134 70.101 68.868 0.166 0.000 1.106 280 T HN 0.327 nan 8.240 nan 0.000 0.564 281 P HA -0.011 nan 4.420 nan 0.000 0.263 281 P C 1.170 178.552 177.300 0.137 0.000 1.168 281 P CA -0.027 63.149 63.100 0.127 0.000 0.759 281 P CB 0.631 32.407 31.700 0.126 0.000 0.782 282 V N 2.688 122.643 119.914 0.067 0.000 2.490 282 V HA -0.260 3.473 4.120 -0.644 0.000 0.250 282 V C 2.276 178.410 176.094 0.066 0.000 1.061 282 V CA 2.542 64.862 62.300 0.035 0.000 1.064 282 V CB -1.258 30.570 31.823 0.009 0.000 0.670 282 V HN 0.728 nan 8.190 nan 0.000 0.461 283 S N 0.200 115.958 115.700 0.096 0.000 2.382 283 S HA -0.248 3.836 4.470 -0.644 0.000 0.228 283 S C 1.965 176.679 174.600 0.190 0.000 1.027 283 S CA 1.664 59.932 58.200 0.113 0.000 0.991 283 S CB -0.704 62.556 63.200 0.100 0.000 0.823 283 S HN 0.521 nan 8.310 nan 0.000 0.469 284 F N 2.939 122.917 119.950 0.047 0.000 2.163 284 F HA 0.193 4.331 4.527 -0.647 0.000 0.297 284 F C 2.095 177.954 175.800 0.098 0.000 1.094 284 F CA 0.980 59.023 58.000 0.072 0.000 1.290 284 F CB -0.594 38.449 39.000 0.071 0.000 1.017 284 F HN 0.101 nan 8.300 nan 0.000 0.483 285 K N -0.028 120.352 120.400 -0.032 0.000 2.097 285 K HA -0.147 3.786 4.320 -0.644 0.000 0.206 285 K C 2.208 178.785 176.600 -0.038 0.000 1.049 285 K CA 1.460 57.683 56.287 -0.108 0.000 0.933 285 K CB -0.202 32.231 32.500 -0.110 0.000 0.717 285 K HN 0.263 nan 8.250 nan 0.000 0.442 286 R N 0.248 120.752 120.500 0.007 0.000 2.115 286 R HA -0.025 3.928 4.340 -0.644 0.000 0.226 286 R C 2.329 178.652 176.300 0.039 0.000 1.100 286 R CA 0.971 57.085 56.100 0.023 0.000 0.980 286 R CB -0.210 30.108 30.300 0.030 0.000 0.875 286 R HN 0.171 nan 8.270 nan 0.000 0.445 287 A N 1.308 124.166 122.820 0.064 0.000 1.898 287 A HA -0.090 3.844 4.320 -0.644 0.000 0.216 287 A C 2.150 179.772 177.584 0.063 0.000 1.181 287 A CA 0.969 53.062 52.037 0.093 0.000 0.620 287 A CB -0.409 18.704 19.000 0.189 0.000 0.819 287 A HN 0.152 nan 8.150 nan 0.000 0.442 288 L N -1.100 120.113 121.223 -0.016 0.000 2.093 288 L HA -0.156 3.797 4.340 -0.644 0.000 0.208 288 L C 2.708 179.623 176.870 0.075 0.000 1.085 288 L CA 1.594 56.429 54.840 -0.008 0.000 0.755 288 L CB -0.425 41.547 42.059 -0.146 0.000 0.904 288 L HN 0.384 nan 8.230 nan 0.000 0.435 289 R N 0.379 120.916 120.500 0.062 0.000 2.120 289 R HA -0.150 3.804 4.340 -0.644 0.000 0.234 289 R C 2.021 178.346 176.300 0.043 0.000 1.123 289 R CA 1.281 57.422 56.100 0.067 0.000 0.975 289 R CB -0.114 30.213 30.300 0.044 0.000 0.866 289 R HN 0.260 nan 8.270 nan 0.000 0.446 290 E N -0.369 119.857 120.200 0.044 0.000 2.190 290 E HA 0.084 4.048 4.350 -0.644 0.000 0.191 290 E C 1.800 178.426 176.600 0.043 0.000 0.978 290 E CA 1.101 57.520 56.400 0.032 0.000 0.839 290 E CB -0.204 29.517 29.700 0.035 0.000 0.787 290 E HN 0.410 nan 8.360 nan 0.000 0.473 291 A N 0.353 123.220 122.820 0.078 0.000 1.929 291 A HA -0.119 3.815 4.320 -0.644 0.000 0.216 291 A C 0.706 178.375 177.584 0.141 0.000 1.176 291 A CA 0.757 52.854 52.037 0.101 0.000 0.628 291 A CB -0.203 18.870 19.000 0.121 0.000 0.816 291 A HN 0.237 nan 8.150 nan 0.000 0.444 292 Y N 0.234 120.544 120.300 0.018 0.000 2.331 292 Y HA 0.426 4.593 4.550 -0.638 0.000 0.334 292 Y C 0.398 176.305 175.900 0.012 0.000 0.960 292 Y CA -1.055 57.055 58.100 0.016 0.000 1.130 292 Y CB 1.342 39.811 38.460 0.014 0.000 1.164 292 Y HN 0.207 nan 8.280 nan 0.000 0.458 293 Q N 4.317 123.728 119.800 -0.648 0.000 2.220 293 Q HA 0.246 4.199 4.340 -0.644 0.000 0.205 293 Q C 0.672 176.320 176.000 -0.587 0.000 0.865 293 Q CA 0.259 55.777 55.803 -0.476 0.000 0.960 293 Q CB 1.223 29.812 28.738 -0.247 0.000 1.097 293 Q HN 0.928 nan 8.270 nan 0.000 0.493 294 G N 0.564 108.646 108.800 -1.197 0.000 2.630 294 G HA2 0.322 3.896 3.960 -0.644 0.000 0.223 294 G HA3 0.322 3.896 3.960 -0.644 0.000 0.223 294 G C -0.301 174.540 174.900 -0.098 0.000 1.434 294 G CA -0.420 44.366 45.100 -0.524 0.000 1.057 294 G HN 0.057 nan 8.290 nan 0.000 0.570 295 V N 0.686 120.700 119.914 0.168 0.000 2.488 295 V HA 0.279 4.012 4.120 -0.644 0.000 0.277 295 V C 0.074 176.314 176.094 0.244 0.000 1.046 295 V CA -0.016 62.370 62.300 0.143 0.000 0.986 295 V CB 0.866 32.735 31.823 0.078 0.000 0.989 295 V HN 0.341 nan 8.190 nan 0.000 0.475 296 L N 6.740 128.041 121.223 0.130 0.000 2.287 296 L HA 0.586 4.540 4.340 -0.644 0.000 0.287 296 L C -0.458 176.372 176.870 -0.066 0.000 1.022 296 L CA -0.198 54.691 54.840 0.082 0.000 0.814 296 L CB 1.394 43.547 42.059 0.156 0.000 1.217 296 L HN 0.511 nan 8.230 nan 0.000 0.420 297 I N 3.191 123.626 120.570 -0.225 0.000 2.474 297 I HA 0.385 4.169 4.170 -0.644 0.000 0.294 297 I C -1.138 174.786 176.117 -0.321 0.000 1.005 297 I CA -0.677 60.407 61.300 -0.360 0.000 1.113 297 I CB 1.809 39.352 38.000 -0.762 0.000 1.289 297 I HN 0.396 nan 8.210 nan 0.000 0.436 298 Y N 3.509 123.640 120.300 -0.283 0.000 2.462 298 Y HA 0.766 4.931 4.550 -0.641 0.000 0.346 298 Y C -0.016 175.744 175.900 -0.234 0.000 0.976 298 Y CA -0.736 57.267 58.100 -0.160 0.000 1.044 298 Y CB 2.344 40.700 38.460 -0.173 0.000 1.230 298 Y HN 0.604 nan 8.280 nan 0.000 0.455 299 A N 1.518 124.433 122.820 0.158 0.000 2.486 299 A HA 0.857 4.790 4.320 -0.644 0.000 0.300 299 A C -0.487 177.220 177.584 0.205 0.000 1.048 299 A CA -0.282 51.820 52.037 0.108 0.000 0.696 299 A CB 1.491 20.564 19.000 0.123 0.000 1.278 299 A HN 1.354 nan 8.150 nan 0.000 0.405 300 G N 1.733 110.661 108.800 0.213 0.000 2.308 300 G HA2 0.414 3.987 3.960 -0.644 0.000 0.182 300 G HA3 0.414 3.987 3.960 -0.644 0.000 0.182 300 G C -0.056 174.811 174.900 -0.054 0.000 1.488 300 G CA -0.402 44.739 45.100 0.070 0.000 1.144 300 G HN 1.382 nan 8.290 nan 0.000 0.608 301 R N -1.012 119.462 120.500 -0.044 0.000 3.641 301 R HA -0.196 3.757 4.340 -0.644 0.000 0.286 301 R C -0.099 176.103 176.300 -0.165 0.000 1.153 301 R CA 0.968 57.017 56.100 -0.084 0.000 0.775 301 R CB -2.427 27.806 30.300 -0.110 0.000 1.215 301 R HN 0.681 nan 8.270 nan 0.000 0.474 302 Y N 1.097 121.340 120.300 -0.095 0.000 2.301 302 Y HA 0.243 4.404 4.550 -0.650 0.000 0.325 302 Y C 1.517 177.493 175.900 0.128 0.000 1.203 302 Y CA -0.108 57.932 58.100 -0.101 0.000 1.255 302 Y CB 0.901 39.120 38.460 -0.401 0.000 1.232 302 Y HN 0.263 nan 8.280 nan 0.000 0.501 303 N N 0.208 119.101 118.700 0.323 0.000 2.653 303 N HA 0.533 4.886 4.740 -0.644 0.000 0.294 303 N C 0.311 176.037 175.510 0.360 0.000 1.305 303 N CA -0.365 52.878 53.050 0.322 0.000 0.827 303 N CB 0.526 39.095 38.487 0.136 0.000 1.415 303 N HN 0.549 nan 8.380 nan 0.000 0.546 304 A N -0.223 122.710 122.820 0.189 0.000 1.883 304 A HA -0.247 3.686 4.320 -0.644 0.000 0.217 304 A C 1.886 179.545 177.584 0.124 0.000 1.186 304 A CA 2.065 54.180 52.037 0.129 0.000 0.624 304 A CB -1.167 17.850 19.000 0.028 0.000 0.822 304 A HN 0.891 nan 8.150 nan 0.000 0.444 305 E N -0.090 120.164 120.200 0.091 0.000 2.031 305 E HA -0.229 3.734 4.350 -0.644 0.000 0.193 305 E C 1.969 178.618 176.600 0.081 0.000 0.994 305 E CA 1.536 57.975 56.400 0.064 0.000 0.800 305 E CB -0.145 29.578 29.700 0.038 0.000 0.752 305 E HN 0.631 nan 8.360 nan 0.000 0.447 306 K N 0.050 120.516 120.400 0.110 0.000 2.147 306 K HA -0.094 3.839 4.320 -0.644 0.000 0.205 306 K C 2.132 178.878 176.600 0.244 0.000 1.049 306 K CA 0.941 57.306 56.287 0.130 0.000 0.936 306 K CB -0.081 32.449 32.500 0.051 0.000 0.722 306 K HN 0.150 nan 8.250 nan 0.000 0.446 307 A N 1.494 124.473 122.820 0.266 0.000 1.873 307 A HA -0.199 3.735 4.320 -0.644 0.000 0.215 307 A C 2.105 179.699 177.584 0.016 0.000 1.186 307 A CA 1.637 53.730 52.037 0.093 0.000 0.616 307 A CB -0.392 18.698 19.000 0.150 0.000 0.823 307 A HN 0.258 nan 8.150 nan 0.000 0.442 308 E N -0.309 119.918 120.200 0.046 0.000 2.085 308 E HA -0.255 3.709 4.350 -0.644 0.000 0.194 308 E C 2.121 178.721 176.600 0.000 0.000 0.994 308 E CA 1.869 58.274 56.400 0.010 0.000 0.801 308 E CB -0.277 29.437 29.700 0.024 0.000 0.743 308 E HN 0.556 nan 8.360 nan 0.000 0.453 309 Q N -0.071 119.739 119.800 0.018 0.000 2.084 309 Q HA -0.022 3.932 4.340 -0.644 0.000 0.202 309 Q C 1.982 177.974 176.000 -0.013 0.000 0.978 309 Q CA 2.072 57.878 55.803 0.005 0.000 0.844 309 Q CB -0.675 28.072 28.738 0.014 0.000 0.898 309 Q HN 0.343 nan 8.270 nan 0.000 0.426 310 A N -0.049 122.765 122.820 -0.010 0.000 1.933 310 A HA -0.138 3.795 4.320 -0.644 0.000 0.218 310 A C 2.101 179.634 177.584 -0.085 0.000 1.175 310 A CA 1.510 53.510 52.037 -0.061 0.000 0.628 310 A CB -0.669 18.281 19.000 -0.084 0.000 0.814 310 A HN 0.467 nan 8.150 nan 0.000 0.444 311 I N -0.191 120.332 120.570 -0.078 0.000 2.233 311 I HA -0.195 3.588 4.170 -0.644 0.000 0.243 311 I C 1.894 177.982 176.117 -0.048 0.000 1.093 311 I CA 0.999 62.256 61.300 -0.072 0.000 1.380 311 I CB -0.425 37.528 38.000 -0.079 0.000 1.067 311 I HN 0.259 nan 8.210 nan 0.000 0.413 312 N N 0.754 119.432 118.700 -0.037 0.000 2.309 312 N HA -0.148 4.205 4.740 -0.644 0.000 0.182 312 N C 1.050 176.545 175.510 -0.025 0.000 1.018 312 N CA 1.131 54.166 53.050 -0.026 0.000 0.876 312 N CB -0.329 38.147 38.487 -0.018 0.000 0.972 312 N HN 0.310 nan 8.380 nan 0.000 0.434 313 D N -0.421 119.961 120.400 -0.030 0.000 2.349 313 D HA 0.123 4.377 4.640 -0.644 0.000 0.224 313 D C 1.113 177.395 176.300 -0.031 0.000 1.029 313 D CA 0.332 54.315 54.000 -0.029 0.000 0.879 313 D CB -0.151 40.629 40.800 -0.033 0.000 0.906 313 D HN 0.308 nan 8.370 nan 0.000 0.528 314 G N 0.654 109.434 108.800 -0.034 0.000 2.143 314 G HA2 -0.305 3.269 3.960 -0.644 0.000 0.248 314 G HA3 -0.305 3.269 3.960 -0.644 0.000 0.248 314 G C 1.027 175.911 174.900 -0.027 0.000 0.991 314 G CA 0.473 45.556 45.100 -0.027 0.000 0.689 314 G HN 0.416 nan 8.290 nan 0.000 0.522 315 L N -0.836 120.355 121.223 -0.053 0.000 2.249 315 L HA 0.549 4.502 4.340 -0.644 0.000 0.207 315 L C 1.519 178.370 176.870 -0.031 0.000 1.090 315 L CA 1.200 55.996 54.840 -0.075 0.000 0.802 315 L CB -0.143 41.812 42.059 -0.173 0.000 0.947 315 L HN 0.581 nan 8.230 nan 0.000 0.453 316 A N -1.070 121.723 122.820 -0.046 0.000 2.498 316 A HA 0.456 4.389 4.320 -0.644 0.000 0.298 316 A C -0.592 176.972 177.584 -0.033 0.000 1.075 316 A CA -0.576 51.473 52.037 0.020 0.000 0.714 316 A CB 1.377 20.356 19.000 -0.036 0.000 1.299 316 A HN -0.027 nan 8.150 nan 0.000 0.407 317 D N 0.200 120.579 120.400 -0.035 0.000 2.379 317 D HA 0.210 4.464 4.640 -0.644 0.000 0.218 317 D C 0.156 176.382 176.300 -0.124 0.000 1.006 317 D CA 1.306 55.264 54.000 -0.070 0.000 0.893 317 D CB 0.299 41.068 40.800 -0.053 0.000 1.019 317 D HN 0.578 nan 8.370 nan 0.000 0.503 318 M N 0.511 120.010 119.600 -0.169 0.000 2.593 318 M HA 0.399 4.493 4.480 -0.644 0.000 0.290 318 M C -1.354 174.766 176.300 -0.301 0.000 1.244 318 M CA -0.731 54.429 55.300 -0.234 0.000 0.857 318 M CB 3.477 35.901 32.600 -0.292 0.000 1.738 318 M HN -0.327 nan 8.290 nan 0.000 0.461 319 I N 1.105 121.474 120.570 -0.336 0.000 2.533 319 I HA 0.515 4.299 4.170 -0.644 0.000 0.290 319 I C 0.093 175.917 176.117 -0.489 0.000 1.056 319 I CA -0.369 60.607 61.300 -0.540 0.000 1.057 319 I CB 1.725 39.285 38.000 -0.733 0.000 1.240 319 I HN 0.809 nan 8.210 nan 0.000 0.423 320 G N 5.196 113.699 108.800 -0.495 0.000 2.367 320 G HA2 0.640 4.213 3.960 -0.644 0.000 0.314 320 G HA3 0.640 4.213 3.960 -0.644 0.000 0.314 320 G C -1.385 173.284 174.900 -0.385 0.000 1.130 320 G CA -0.219 44.727 45.100 -0.258 0.000 0.864 320 G HN 0.325 nan 8.290 nan 0.000 0.486 321 F N 1.476 121.475 119.950 0.082 0.000 2.445 321 F HA 0.448 4.588 4.527 -0.646 0.000 0.348 321 F C 1.104 176.991 175.800 0.145 0.000 1.125 321 F CA -0.477 57.570 58.000 0.079 0.000 0.983 321 F CB 2.335 41.317 39.000 -0.030 0.000 1.198 321 F HN 0.614 nan 8.300 nan 0.000 0.436 322 G N 2.615 111.524 108.800 0.181 0.000 2.670 322 G HA2 -0.028 3.545 3.960 -0.644 0.000 0.219 322 G HA3 -0.028 3.545 3.960 -0.644 0.000 0.219 322 G C 1.541 176.478 174.900 0.062 0.000 1.342 322 G CA -0.020 45.139 45.100 0.099 0.000 0.902 322 G HN 0.511 nan 8.290 nan 0.000 0.553 323 R N 0.960 121.436 120.500 -0.040 0.000 2.103 323 R HA -0.091 3.863 4.340 -0.644 0.000 0.242 323 R C -0.096 176.208 176.300 0.006 0.000 1.142 323 R CA 1.860 57.890 56.100 -0.117 0.000 0.960 323 R CB -0.995 29.243 30.300 -0.104 0.000 0.858 323 R HN 0.333 nan 8.270 nan 0.000 0.439 324 P HA -0.135 nan 4.420 nan 0.000 0.218 324 P C 0.754 178.043 177.300 -0.018 0.000 1.149 324 P CA 1.058 64.173 63.100 0.023 0.000 0.817 324 P CB 0.028 31.740 31.700 0.019 0.000 0.785 325 F N -0.600 119.342 119.950 -0.013 0.000 2.325 325 F HA -0.086 4.056 4.527 -0.643 0.000 0.299 325 F C 2.082 177.826 175.800 -0.095 0.000 1.090 325 F CA 0.591 58.564 58.000 -0.045 0.000 1.392 325 F CB -0.642 38.351 39.000 -0.010 0.000 1.053 325 F HN -0.174 nan 8.300 nan 0.000 0.521 326 I N -0.400 120.219 120.570 0.081 0.000 2.179 326 I HA -0.265 3.518 4.170 -0.644 0.000 0.242 326 I C 2.423 178.303 176.117 -0.394 0.000 1.088 326 I CA 1.745 63.017 61.300 -0.048 0.000 1.357 326 I CB -1.677 36.247 38.000 -0.128 0.000 1.051 326 I HN 0.073 nan 8.210 nan 0.000 0.409 327 A N 0.066 122.592 122.820 -0.491 0.000 2.238 327 A HA 0.065 3.999 4.320 -0.644 0.000 0.210 327 A C 0.370 177.777 177.584 -0.295 0.000 1.179 327 A CA 0.159 51.672 52.037 -0.874 0.000 0.827 327 A CB -0.498 18.237 19.000 -0.441 0.000 0.856 327 A HN 0.476 nan 8.150 nan 0.000 0.488 328 N N 0.180 118.811 118.700 -0.114 0.000 2.664 328 N HA 0.267 4.621 4.740 -0.644 0.000 0.257 328 N C -2.377 173.174 175.510 0.067 0.000 1.108 328 N CA -1.311 51.730 53.050 -0.014 0.000 0.822 328 N CB 2.059 40.497 38.487 -0.081 0.000 1.199 328 N HN 0.002 nan 8.380 nan 0.000 0.529 329 P HA -0.140 nan 4.420 nan 0.000 0.220 329 P C -0.196 177.230 177.300 0.209 0.000 1.148 329 P CA 1.364 64.579 63.100 0.191 0.000 0.803 329 P CB 0.187 31.974 31.700 0.145 0.000 0.782 330 D N -0.525 119.948 120.400 0.122 0.000 2.894 330 D HA 0.030 4.284 4.640 -0.644 0.000 0.248 330 D C 1.423 177.717 176.300 -0.010 0.000 1.291 330 D CA -0.671 53.387 54.000 0.096 0.000 0.840 330 D CB -0.574 40.292 40.800 0.110 0.000 1.044 330 D HN -0.027 nan 8.370 nan 0.000 0.484 331 L N 0.851 121.964 121.223 -0.182 0.000 2.013 331 L HA -0.047 3.907 4.340 -0.644 0.000 0.212 331 L C -0.835 175.838 176.870 -0.329 0.000 1.073 331 L CA 2.173 56.749 54.840 -0.441 0.000 0.753 331 L CB -1.228 40.171 42.059 -1.100 0.000 0.890 331 L HN 0.033 nan 8.230 nan 0.000 0.432 332 P HA -0.207 nan 4.420 nan 0.000 0.215 332 P C 1.448 178.806 177.300 0.097 0.000 1.157 332 P CA 1.582 64.703 63.100 0.035 0.000 0.874 332 P CB 0.046 31.853 31.700 0.179 0.000 0.790 333 E N -0.160 120.066 120.200 0.044 0.000 2.077 333 E HA -0.190 3.773 4.350 -0.644 0.000 0.193 333 E C 2.053 178.635 176.600 -0.031 0.000 0.989 333 E CA 1.372 57.790 56.400 0.030 0.000 0.800 333 E CB -0.402 29.359 29.700 0.100 0.000 0.746 333 E HN 0.067 nan 8.360 nan 0.000 0.452 334 R N -0.203 120.280 120.500 -0.028 0.000 2.075 334 R HA -0.059 3.894 4.340 -0.644 0.000 0.232 334 R C 2.559 178.746 176.300 -0.188 0.000 1.126 334 R CA 1.369 57.416 56.100 -0.089 0.000 0.963 334 R CB -0.434 29.828 30.300 -0.063 0.000 0.858 334 R HN 0.268 nan 8.270 nan 0.000 0.435 335 L N 0.085 121.216 121.223 -0.154 0.000 2.046 335 L HA -0.152 3.801 4.340 -0.644 0.000 0.208 335 L C 2.776 179.600 176.870 -0.077 0.000 1.077 335 L CA 1.289 56.055 54.840 -0.123 0.000 0.747 335 L CB -0.384 41.580 42.059 -0.159 0.000 0.896 335 L HN 0.162 nan 8.230 nan 0.000 0.432 336 R N -0.715 119.701 120.500 -0.140 0.000 2.092 336 R HA -0.160 3.794 4.340 -0.644 0.000 0.231 336 R C 2.010 178.010 176.300 -0.500 0.000 1.119 336 R CA 1.481 57.306 56.100 -0.458 0.000 0.970 336 R CB -0.050 29.633 30.300 -1.028 0.000 0.864 336 R HN 0.399 nan 8.270 nan 0.000 0.440 337 H N -1.928 116.796 119.070 -0.577 0.000 2.563 337 H HA 0.248 4.417 4.556 -0.645 0.000 0.264 337 H C 0.787 175.763 175.328 -0.587 0.000 0.957 337 H CA 0.780 56.384 56.048 -0.740 0.000 1.173 337 H CB 1.130 29.954 29.762 -1.563 0.000 1.420 337 H HN 0.490 nan 8.280 nan 0.000 0.551 338 G N 0.089 108.693 108.800 -0.327 0.000 2.160 338 G HA2 -0.312 3.262 3.960 -0.644 0.000 0.244 338 G HA3 -0.312 3.262 3.960 -0.644 0.000 0.244 338 G C -0.275 174.547 174.900 -0.130 0.000 1.022 338 G CA -0.239 44.752 45.100 -0.181 0.000 0.741 338 G HN 0.466 nan 8.290 nan 0.000 0.508 339 Y N 0.862 121.026 120.300 -0.228 0.000 2.397 339 Y HA 0.331 4.493 4.550 -0.646 0.000 0.335 339 Y C -0.911 174.796 175.900 -0.322 0.000 1.213 339 Y CA -1.721 56.102 58.100 -0.462 0.000 1.391 339 Y CB 0.651 38.531 38.460 -0.967 0.000 1.293 339 Y HN 0.095 nan 8.280 nan 0.000 0.557 340 P HA 0.038 nan 4.420 nan 0.000 0.268 340 P C -0.988 176.314 177.300 0.005 0.000 1.205 340 P CA 0.196 63.297 63.100 0.002 0.000 0.771 340 P CB 0.936 32.677 31.700 0.067 0.000 0.858 341 L N 1.901 123.131 121.223 0.012 0.000 2.289 341 L HA 0.496 4.450 4.340 -0.644 0.000 0.285 341 L C 1.053 177.953 176.870 0.050 0.000 1.049 341 L CA -0.975 53.874 54.840 0.014 0.000 0.804 341 L CB 1.208 43.260 42.059 -0.013 0.000 1.195 341 L HN 0.416 nan 8.230 nan 0.000 0.428 342 A N 3.633 126.494 122.820 0.069 0.000 2.366 342 A HA 0.360 4.294 4.320 -0.644 0.000 0.249 342 A C -0.043 177.585 177.584 0.073 0.000 1.084 342 A CA -0.274 51.820 52.037 0.095 0.000 0.794 342 A CB 0.352 19.439 19.000 0.145 0.000 1.034 342 A HN 0.784 nan 8.150 nan 0.000 0.491 343 E N 0.665 120.918 120.200 0.089 0.000 2.207 343 E HA 0.305 4.268 4.350 -0.644 0.000 0.270 343 E C -0.625 176.038 176.600 0.104 0.000 0.927 343 E CA -0.705 55.738 56.400 0.071 0.000 0.799 343 E CB 1.247 30.960 29.700 0.021 0.000 1.172 343 E HN 0.868 nan 8.360 nan 0.000 0.404 344 H N -0.389 118.713 119.070 0.054 0.000 2.547 344 H HA 0.279 4.455 4.556 -0.632 0.000 0.362 344 H C -0.522 174.916 175.328 0.184 0.000 1.181 344 H CA -0.537 55.575 56.048 0.107 0.000 1.376 344 H CB 0.598 30.369 29.762 0.014 0.000 1.488 344 H HN 0.087 nan 8.280 nan 0.000 0.583 345 V N 4.246 124.316 119.914 0.260 0.000 2.333 345 V HA 0.100 3.834 4.120 -0.644 0.000 0.274 345 V C -1.451 174.758 176.094 0.192 0.000 1.028 345 V CA -1.431 60.940 62.300 0.119 0.000 0.851 345 V CB 1.128 33.026 31.823 0.125 0.000 1.000 345 V HN 0.667 nan 8.190 nan 0.000 0.456 346 P HA -0.192 nan 4.420 nan 0.000 0.216 346 P C 1.573 178.957 177.300 0.141 0.000 1.150 346 P CA 1.681 64.909 63.100 0.212 0.000 0.843 346 P CB 0.273 32.063 31.700 0.149 0.000 0.787 347 A N -0.796 122.083 122.820 0.097 0.000 2.070 347 A HA -0.133 3.800 4.320 -0.644 0.000 0.220 347 A C 1.802 179.429 177.584 0.071 0.000 1.159 347 A CA 2.105 54.190 52.037 0.081 0.000 0.656 347 A CB -1.525 17.506 19.000 0.052 0.000 0.800 347 A HN 0.366 nan 8.150 nan 0.000 0.453 348 T N -3.377 111.216 114.554 0.065 0.000 3.174 348 T HA 0.433 4.396 4.350 -0.644 0.000 0.269 348 T C 1.278 175.969 174.700 -0.016 0.000 1.017 348 T CA -0.063 62.057 62.100 0.033 0.000 0.899 348 T CB -0.179 68.705 68.868 0.026 0.000 1.077 348 T HN 0.234 nan 8.240 nan 0.000 0.552 349 L N -0.245 120.915 121.223 -0.105 0.000 2.056 349 L HA 0.254 4.208 4.340 -0.644 0.000 0.207 349 L C 0.156 176.680 176.870 -0.577 0.000 1.078 349 L CA 1.105 55.697 54.840 -0.413 0.000 0.749 349 L CB -0.178 41.446 42.059 -0.724 0.000 0.901 349 L HN 0.311 nan 8.230 nan 0.000 0.433 350 F N -0.848 119.174 119.950 0.120 0.000 2.495 350 F HA 0.608 4.721 4.527 -0.690 0.000 0.327 350 F C 0.867 176.709 175.800 0.069 0.000 1.103 350 F CA -0.555 57.503 58.000 0.096 0.000 0.949 350 F CB 1.338 40.298 39.000 -0.067 0.000 1.142 350 F HN 0.065 nan 8.300 nan 0.000 0.457 351 G N 1.032 110.034 108.800 0.337 0.000 2.782 351 G HA2 0.373 3.947 3.960 -0.644 0.000 0.228 351 G HA3 0.373 3.947 3.960 -0.644 0.000 0.228 351 G C 0.103 174.973 174.900 -0.050 0.000 1.372 351 G CA -0.229 44.956 45.100 0.141 0.000 0.862 351 G HN 1.996 nan 8.290 nan 0.000 0.547 352 G N -1.849 106.827 108.800 -0.207 0.000 2.584 352 G HA2 0.483 4.057 3.960 -0.644 0.000 0.229 352 G HA3 0.483 4.057 3.960 -0.644 0.000 0.229 352 G C 1.240 176.049 174.900 -0.152 0.000 1.320 352 G CA 1.074 46.078 45.100 -0.159 0.000 0.891 352 G HN 2.667 nan 8.290 nan 0.000 0.573 353 G N -2.253 106.482 108.800 -0.108 0.000 3.356 353 G HA2 0.601 4.175 3.960 -0.644 0.000 0.178 353 G HA3 0.601 4.175 3.960 -0.644 0.000 0.178 353 G C 0.767 175.621 174.900 -0.077 0.000 1.130 353 G CA 0.902 45.946 45.100 -0.093 0.000 0.800 353 G HN 0.719 nan 8.290 nan 0.000 0.669 354 E N 0.389 120.554 120.200 -0.058 0.000 2.204 354 E HA -0.043 3.920 4.350 -0.644 0.000 0.195 354 E C 0.321 176.887 176.600 -0.057 0.000 0.990 354 E CA 0.570 56.942 56.400 -0.046 0.000 0.821 354 E CB -0.021 29.665 29.700 -0.023 0.000 0.750 354 E HN 0.192 nan 8.360 nan 0.000 0.477 355 K N 0.257 120.616 120.400 -0.068 0.000 2.412 355 K HA 0.112 4.045 4.320 -0.644 0.000 0.284 355 K C 0.690 177.230 176.600 -0.099 0.000 1.046 355 K CA 0.580 56.812 56.287 -0.092 0.000 0.999 355 K CB 0.726 33.178 32.500 -0.080 0.000 0.941 355 K HN 0.244 nan 8.250 nan 0.000 0.474 356 G N 2.231 110.928 108.800 -0.172 0.000 2.159 356 G HA2 -0.256 3.317 3.960 -0.644 0.000 0.256 356 G HA3 -0.256 3.317 3.960 -0.644 0.000 0.256 356 G C 0.226 175.190 174.900 0.107 0.000 0.977 356 G CA 0.412 45.441 45.100 -0.118 0.000 0.652 356 G HN 0.559 nan 8.290 nan 0.000 0.531 357 L N -0.463 120.782 121.223 0.036 0.000 2.738 357 L HA 0.448 4.401 4.340 -0.644 0.000 0.175 357 L C 2.421 179.410 176.870 0.198 0.000 1.125 357 L CA 2.409 57.272 54.840 0.038 0.000 0.857 357 L CB 0.115 42.087 42.059 -0.144 0.000 1.300 357 L HN 0.420 nan 8.230 nan 0.000 0.499 358 T N -3.630 110.990 114.554 0.110 0.000 3.044 358 T HA 0.167 4.130 4.350 -0.644 0.000 0.260 358 T C 0.461 175.219 174.700 0.097 0.000 1.019 358 T CA 0.334 62.518 62.100 0.141 0.000 0.921 358 T CB -0.322 68.594 68.868 0.080 0.000 1.053 358 T HN 0.428 nan 8.240 nan 0.000 0.533 359 D N -0.128 120.289 120.400 0.028 0.000 2.424 359 D HA 0.075 4.329 4.640 -0.644 0.000 0.220 359 D C -0.510 175.757 176.300 -0.055 0.000 1.150 359 D CA -0.736 53.246 54.000 -0.031 0.000 0.831 359 D CB -0.792 39.955 40.800 -0.089 0.000 0.981 359 D HN 0.429 nan 8.370 nan 0.000 0.500 360 Y N 2.185 122.521 120.300 0.060 0.000 2.393 360 Y HA 0.285 4.449 4.550 -0.644 0.000 0.338 360 Y C -1.598 174.338 175.900 0.059 0.000 1.029 360 Y CA -1.815 56.324 58.100 0.066 0.000 1.239 360 Y CB 0.845 39.361 38.460 0.094 0.000 1.170 360 Y HN -0.026 nan 8.280 nan 0.000 0.515 361 P HA 0.101 nan 4.420 nan 0.000 0.276 361 P C -0.362 177.010 177.300 0.120 0.000 1.252 361 P CA -0.479 62.687 63.100 0.110 0.000 0.802 361 P CB 1.045 32.776 31.700 0.052 0.000 1.035 362 T N -1.526 113.079 114.554 0.086 0.000 2.828 362 T HA 0.150 4.114 4.350 -0.644 0.000 0.290 362 T C 0.058 174.807 174.700 0.082 0.000 1.019 362 T CA -0.420 61.737 62.100 0.096 0.000 1.031 362 T CB -0.002 68.911 68.868 0.075 0.000 1.001 362 T HN 0.318 nan 8.240 nan 0.000 0.531 363 Y N 1.309 121.590 120.300 -0.032 0.000 2.610 363 Y HA 0.247 4.410 4.550 -0.645 0.000 0.332 363 Y C 0.455 176.259 175.900 -0.161 0.000 1.201 363 Y CA -0.074 57.958 58.100 -0.112 0.000 1.465 363 Y CB 0.356 38.704 38.460 -0.188 0.000 1.283 363 Y HN 0.826 nan 8.280 nan 0.000 0.563 364 Q N 5.792 125.045 119.800 -0.911 0.000 2.295 364 Q HA 0.631 4.585 4.340 -0.644 0.000 0.259 364 Q C -1.180 174.281 176.000 -0.900 0.000 0.966 364 Q CA -0.761 54.621 55.803 -0.702 0.000 0.763 364 Q CB 1.185 29.720 28.738 -0.340 0.000 1.283 364 Q HN 0.938 nan 8.270 nan 0.000 0.445 365 A N 0.000 122.333 122.820 -0.812 0.000 2.254 365 A HA 0.000 3.933 4.320 -0.644 0.000 0.244 365 A CA 0.000 51.734 52.037 -0.504 0.000 0.836 365 A CB 0.000 18.848 19.000 -0.253 0.000 0.831 365 A HN 0.000 nan 8.150 nan 0.000 0.486