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 1po9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIDYTAAGFT LLQGAHLYAP EDRGICDVLV ANGKIIAVAS NIPSDIVPNC DATA SEQUENCE TVVDLSGQIL CPGFIDQHVH LIGGGGEAGP TTRTPEVALS RLTEAGVTSV DATA SEQUENCE VGLLGTDSIS RHPESLLAKT RALNEEGISA WMLTGAYHVP SRTITGSVEK DATA SEQUENCE DVAIIDRVIG VXCAISDHRS AAPDVYHLAN MAAESRVGGL LGGKPGVTVF DATA SEQUENCE HMGDSKKALQ PIYDLLENCD VPISKLLPTH VNRNVPLFEQ ALEFARKGGT DATA SEQUENCE IDITSSIDEP VAPAEGIARA VQAGIPLARV TLSSDGNGXX XXXXXXXXXX DATA SEQUENCE XXXVAGFETL LETVQVLVKD YDFSISDALR PLTSSVAGFL NLTGKGEILP DATA SEQUENCE GNDADLLVMT PELRIEQVYA RGKLMVKDGK ACVKGTFE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.011 0.000 1.140 1 M CA 0.000 55.325 55.300 0.041 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 I N 2.873 123.449 120.570 0.009 0.000 2.634 2 I HA 0.122 4.292 4.170 -0.000 0.000 0.284 2 I C 0.132 176.080 176.117 -0.283 0.000 1.124 2 I CA 0.067 61.262 61.300 -0.174 0.000 1.417 2 I CB 0.757 38.594 38.000 -0.272 0.000 1.396 2 I HN 0.611 nan 8.210 nan 0.000 0.571 3 D N 4.966 125.164 120.400 -0.338 0.000 2.339 3 D HA 0.160 4.799 4.640 -0.000 0.000 0.241 3 D C -0.402 175.689 176.300 -0.349 0.000 1.183 3 D CA 0.105 53.969 54.000 -0.226 0.000 0.859 3 D CB 0.384 41.109 40.800 -0.125 0.000 1.067 3 D HN 0.321 nan 8.370 nan 0.000 0.484 4 Y N 1.325 121.656 120.300 0.052 0.000 2.612 4 Y HA 0.089 4.638 4.550 -0.000 0.000 0.250 4 Y C 2.277 178.186 175.900 0.015 0.000 1.175 4 Y CA -0.095 58.048 58.100 0.071 0.000 1.205 4 Y CB 0.341 38.913 38.460 0.187 0.000 1.201 4 Y HN 0.460 nan 8.280 nan 0.000 0.532 5 T N -2.710 111.908 114.554 0.106 0.000 2.897 5 T HA -0.216 4.134 4.350 -0.000 0.000 0.271 5 T C 2.125 176.802 174.700 -0.038 0.000 1.084 5 T CA 1.099 63.223 62.100 0.040 0.000 1.123 5 T CB -0.221 68.663 68.868 0.028 0.000 0.865 5 T HN 0.337 nan 8.240 nan 0.000 0.496 6 A N 1.362 124.152 122.820 -0.051 0.000 2.070 6 A HA 0.386 4.705 4.320 -0.000 0.000 0.220 6 A C 2.656 180.146 177.584 -0.158 0.000 1.159 6 A CA 1.447 53.435 52.037 -0.082 0.000 0.656 6 A CB -1.055 17.908 19.000 -0.062 0.000 0.800 6 A HN 0.767 nan 8.150 nan 0.000 0.453 7 A N -1.361 121.286 122.820 -0.287 0.000 2.072 7 A HA 0.396 4.715 4.320 -0.000 0.000 0.216 7 A C 1.836 179.105 177.584 -0.525 0.000 1.156 7 A CA 1.145 52.839 52.037 -0.572 0.000 0.701 7 A CB -0.968 17.245 19.000 -1.312 0.000 0.816 7 A HN 1.849 nan 8.150 nan 0.000 0.458 8 G N -0.663 107.944 108.800 -0.321 0.000 2.338 8 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.296 8 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.296 8 G C -0.070 174.769 174.900 -0.101 0.000 1.040 8 G CA 0.059 45.072 45.100 -0.145 0.000 1.004 8 G HN 0.391 nan 8.290 nan 0.000 0.509 9 F N 0.644 120.609 119.950 0.025 0.000 2.571 9 F HA 0.361 4.888 4.527 -0.000 0.000 0.384 9 F C 1.217 177.018 175.800 0.002 0.000 1.058 9 F CA 0.584 58.587 58.000 0.005 0.000 1.200 9 F CB 0.871 39.868 39.000 -0.006 0.000 1.077 9 F HN 0.070 nan 8.300 nan 0.000 0.558 10 T N 5.625 120.290 114.554 0.184 0.000 2.879 10 T HA 0.377 4.727 4.350 -0.000 0.000 0.290 10 T C -0.872 173.844 174.700 0.026 0.000 0.993 10 T CA -0.615 61.533 62.100 0.080 0.000 0.975 10 T CB 1.435 70.322 68.868 0.032 0.000 0.981 10 T HN 0.413 nan 8.240 nan 0.000 0.439 11 L N 4.745 125.972 121.223 0.006 0.000 2.298 11 L HA 0.580 4.919 4.340 -0.000 0.000 0.284 11 L C -1.145 175.700 176.870 -0.042 0.000 1.013 11 L CA -0.944 53.882 54.840 -0.023 0.000 0.824 11 L CB 0.610 42.657 42.059 -0.021 0.000 1.221 11 L HN 0.567 nan 8.230 nan 0.000 0.418 12 L N 5.803 126.982 121.223 -0.072 0.000 2.264 12 L HA 0.384 4.724 4.340 -0.000 0.000 0.287 12 L C -0.249 176.597 176.870 -0.040 0.000 1.039 12 L CA -0.423 54.372 54.840 -0.075 0.000 0.829 12 L CB 1.256 43.230 42.059 -0.141 0.000 1.211 12 L HN 0.628 nan 8.230 nan 0.000 0.427 13 Q N 1.331 121.119 119.800 -0.019 0.000 2.348 13 Q HA 0.716 5.056 4.340 -0.000 0.000 0.271 13 Q C 0.617 176.616 176.000 -0.002 0.000 1.067 13 Q CA -0.407 55.387 55.803 -0.014 0.000 0.839 13 Q CB 2.226 30.955 28.738 -0.015 0.000 1.354 13 Q HN 0.645 nan 8.270 nan 0.000 0.447 14 G N 0.014 108.810 108.800 -0.005 0.000 2.184 14 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.264 14 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.264 14 G C 0.233 175.144 174.900 0.017 0.000 0.975 14 G CA 0.048 45.148 45.100 0.000 0.000 0.642 14 G HN 1.099 nan 8.290 nan 0.000 0.536 15 A N -0.474 122.363 122.820 0.029 0.000 2.286 15 A HA 0.675 4.995 4.320 -0.000 0.000 0.286 15 A C 0.099 177.739 177.584 0.093 0.000 1.097 15 A CA 0.142 52.221 52.037 0.070 0.000 0.821 15 A CB 0.410 19.453 19.000 0.073 0.000 1.076 15 A HN 0.843 nan 8.150 nan 0.000 0.490 16 H N 1.731 120.811 119.070 0.016 0.000 2.846 16 H HA 0.371 4.927 4.556 -0.000 0.000 0.278 16 H C -0.469 174.803 175.328 -0.095 0.000 1.117 16 H CA -0.487 55.530 56.048 -0.052 0.000 1.406 16 H CB 0.225 29.994 29.762 0.012 0.000 1.445 16 H HN 0.583 nan 8.280 nan 0.000 0.469 17 L N 6.541 127.807 121.223 0.072 0.000 2.331 17 L HA 0.138 4.478 4.340 -0.000 0.000 0.278 17 L C -1.140 175.608 176.870 -0.204 0.000 1.106 17 L CA -0.410 54.425 54.840 -0.008 0.000 0.824 17 L CB 0.186 42.245 42.059 -0.000 0.000 1.142 17 L HN 0.781 nan 8.230 nan 0.000 0.443 18 Y N 3.535 123.864 120.300 0.049 0.000 2.426 18 Y HA 0.336 4.885 4.550 -0.000 0.000 0.325 18 Y C 0.609 176.536 175.900 0.045 0.000 0.989 18 Y CA -0.617 57.502 58.100 0.032 0.000 1.284 18 Y CB 1.706 40.164 38.460 -0.003 0.000 1.104 18 Y HN 0.646 nan 8.280 nan 0.000 0.481 19 A N 4.278 127.182 122.820 0.140 0.000 2.415 19 A HA 0.206 4.526 4.320 -0.000 0.000 0.248 19 A C -1.371 176.275 177.584 0.103 0.000 1.299 19 A CA -0.581 51.519 52.037 0.105 0.000 0.899 19 A CB -0.564 18.474 19.000 0.063 0.000 0.997 19 A HN 0.473 nan 8.150 nan 0.000 0.506 20 P HA -0.026 nan 4.420 nan 0.000 0.233 20 P C -0.093 177.324 177.300 0.195 0.000 1.167 20 P CA 0.448 63.651 63.100 0.172 0.000 0.770 20 P CB 0.058 31.843 31.700 0.143 0.000 0.837 21 E N 1.432 121.710 120.200 0.130 0.000 2.452 21 E HA 0.012 4.362 4.350 -0.000 0.000 0.261 21 E C 0.349 176.999 176.600 0.084 0.000 0.987 21 E CA 0.276 56.741 56.400 0.107 0.000 0.926 21 E CB -0.315 29.424 29.700 0.065 0.000 0.934 21 E HN 0.012 nan 8.360 nan 0.000 0.452 22 D N 2.541 122.988 120.400 0.079 0.000 2.389 22 D HA -0.050 4.589 4.640 -0.000 0.000 0.263 22 D C -0.026 176.239 176.300 -0.058 0.000 1.255 22 D CA 0.162 54.120 54.000 -0.070 0.000 0.914 22 D CB 0.455 41.274 40.800 0.033 0.000 1.116 22 D HN 0.244 nan 8.370 nan 0.000 0.502 23 R N 2.769 123.209 120.500 -0.101 0.000 2.509 23 R HA 0.294 4.634 4.340 -0.000 0.000 0.300 23 R C 1.249 177.503 176.300 -0.077 0.000 0.985 23 R CA 0.069 56.135 56.100 -0.056 0.000 1.092 23 R CB 0.082 30.359 30.300 -0.037 0.000 1.237 23 R HN 0.677 nan 8.270 nan 0.000 0.546 24 G N 1.862 110.604 108.800 -0.097 0.000 2.641 24 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 24 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 24 G C 0.046 174.782 174.900 -0.273 0.000 1.315 24 G CA -0.464 44.450 45.100 -0.310 0.000 0.907 24 G HN 0.250 nan 8.290 nan 0.000 0.572 25 I N 0.591 120.977 120.570 -0.307 0.000 2.581 25 I HA 0.364 4.534 4.170 -0.000 0.000 0.285 25 I C 0.834 176.897 176.117 -0.091 0.000 1.129 25 I CA 0.272 61.474 61.300 -0.163 0.000 1.397 25 I CB -0.069 37.847 38.000 -0.141 0.000 1.399 25 I HN 0.682 nan 8.210 nan 0.000 0.537 26 C N 6.417 125.686 119.300 -0.051 0.000 2.985 26 C HA 0.424 4.884 4.460 -0.000 0.000 0.314 26 C C -0.797 174.178 174.990 -0.024 0.000 1.215 26 C CA -0.700 58.295 59.018 -0.038 0.000 1.414 26 C CB 1.709 29.427 27.740 -0.035 0.000 1.842 26 C HN 0.710 nan 8.230 nan 0.000 0.477 27 D N 2.030 122.414 120.400 -0.027 0.000 2.294 27 D HA 0.612 5.252 4.640 -0.000 0.000 0.250 27 D C -0.729 175.554 176.300 -0.029 0.000 1.058 27 D CA -0.048 53.935 54.000 -0.027 0.000 0.950 27 D CB 1.839 42.621 40.800 -0.030 0.000 1.158 27 D HN 0.380 nan 8.370 nan 0.000 0.453 28 V N 1.687 121.579 119.914 -0.037 0.000 2.569 28 V HA 0.253 4.373 4.120 -0.000 0.000 0.301 28 V C -0.287 175.781 176.094 -0.044 0.000 1.044 28 V CA -0.777 61.500 62.300 -0.039 0.000 0.874 28 V CB 2.115 33.910 31.823 -0.048 0.000 1.002 28 V HN 0.340 nan 8.190 nan 0.000 0.424 29 L N 5.510 126.718 121.223 -0.025 0.000 2.289 29 L HA 0.714 5.054 4.340 -0.000 0.000 0.285 29 L C -0.867 176.015 176.870 0.019 0.000 1.049 29 L CA -0.390 54.446 54.840 -0.007 0.000 0.804 29 L CB 1.783 43.837 42.059 -0.009 0.000 1.195 29 L HN 0.445 nan 8.230 nan 0.000 0.428 30 V N 3.674 123.613 119.914 0.043 0.000 2.628 30 V HA 0.838 4.958 4.120 -0.000 0.000 0.306 30 V C -0.264 175.910 176.094 0.133 0.000 1.045 30 V CA -0.560 61.772 62.300 0.052 0.000 0.905 30 V CB 1.708 33.525 31.823 -0.010 0.000 0.997 30 V HN 0.872 nan 8.190 nan 0.000 0.436 31 A N 2.885 125.757 122.820 0.087 0.000 2.488 31 A HA 0.691 5.010 4.320 -0.000 0.000 0.295 31 A C -0.013 177.546 177.584 -0.041 0.000 1.045 31 A CA -0.612 51.436 52.037 0.019 0.000 0.703 31 A CB 0.699 19.793 19.000 0.156 0.000 1.271 31 A HN 1.068 nan 8.150 nan 0.000 0.400 32 N N 1.075 119.709 118.700 -0.111 0.000 2.716 32 N HA -0.182 4.558 4.740 -0.000 0.000 0.250 32 N C 0.980 176.473 175.510 -0.028 0.000 1.033 32 N CA 2.080 55.087 53.050 -0.073 0.000 0.727 32 N CB -0.885 37.565 38.487 -0.062 0.000 0.950 32 N HN 2.326 nan 8.380 nan 0.000 0.541 33 G N -1.375 107.417 108.800 -0.014 0.000 2.166 33 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.260 33 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.260 33 G C 0.041 174.952 174.900 0.017 0.000 0.986 33 G CA 0.993 46.099 45.100 0.009 0.000 0.683 33 G HN 0.545 nan 8.290 nan 0.000 0.527 34 K N -0.517 119.892 120.400 0.016 0.000 2.318 34 K HA 0.644 4.964 4.320 -0.000 0.000 0.249 34 K C 0.273 176.889 176.600 0.026 0.000 0.942 34 K CA -1.090 55.211 56.287 0.024 0.000 0.808 34 K CB 1.445 33.960 32.500 0.026 0.000 1.189 34 K HN 0.134 nan 8.250 nan 0.000 0.428 35 I N 5.243 125.828 120.570 0.024 0.000 2.452 35 I HA 0.057 4.226 4.170 -0.000 0.000 0.287 35 I C 1.264 177.398 176.117 0.027 0.000 1.079 35 I CA 0.203 61.514 61.300 0.018 0.000 1.387 35 I CB 0.407 38.415 38.000 0.013 0.000 1.404 35 I HN 0.626 nan 8.210 nan 0.000 0.522 36 I N 3.210 123.801 120.570 0.035 0.000 4.057 36 I HA 0.615 4.785 4.170 -0.000 0.000 0.334 36 I C 0.575 176.705 176.117 0.021 0.000 1.308 36 I CA -0.089 61.234 61.300 0.039 0.000 1.125 36 I CB 0.394 38.435 38.000 0.069 0.000 1.034 36 I HN 0.506 nan 8.210 nan 0.000 0.401 37 A N 0.687 123.514 122.820 0.010 0.000 2.582 37 A HA 0.712 5.032 4.320 -0.000 0.000 0.297 37 A C -1.317 176.262 177.584 -0.008 0.000 1.059 37 A CA -0.401 51.635 52.037 -0.002 0.000 0.705 37 A CB 1.668 20.661 19.000 -0.012 0.000 1.279 37 A HN -0.035 nan 8.150 nan 0.000 0.404 38 V N 1.156 121.065 119.914 -0.009 0.000 2.445 38 V HA 0.793 4.913 4.120 -0.000 0.000 0.283 38 V C 0.140 176.226 176.094 -0.015 0.000 1.014 38 V CA 0.398 62.691 62.300 -0.011 0.000 0.852 38 V CB 0.737 32.558 31.823 -0.004 0.000 1.021 38 V HN 1.991 nan 8.190 nan 0.000 0.435 39 A N 3.011 125.819 122.820 -0.021 0.000 2.610 39 A HA 0.843 5.163 4.320 -0.000 0.000 0.291 39 A C -0.456 177.111 177.584 -0.029 0.000 1.086 39 A CA -0.600 51.423 52.037 -0.024 0.000 0.677 39 A CB 1.658 20.644 19.000 -0.024 0.000 1.278 39 A HN 0.517 nan 8.150 nan 0.000 0.414 40 S N 0.892 116.574 115.700 -0.031 0.000 2.528 40 S HA 0.377 4.846 4.470 -0.000 0.000 0.277 40 S C 0.250 174.831 174.600 -0.033 0.000 1.297 40 S CA 0.071 58.250 58.200 -0.035 0.000 1.052 40 S CB -0.238 62.940 63.200 -0.038 0.000 0.917 40 S HN 0.766 nan 8.310 nan 0.000 0.492 41 N N 0.972 119.653 118.700 -0.033 0.000 2.648 41 N HA -0.157 4.583 4.740 -0.000 0.000 0.265 41 N C -0.967 174.522 175.510 -0.034 0.000 1.100 41 N CA 0.003 53.034 53.050 -0.032 0.000 0.715 41 N CB -1.160 37.309 38.487 -0.030 0.000 0.881 41 N HN 0.544 nan 8.380 nan 0.000 0.548 42 I N 1.004 121.552 120.570 -0.037 0.000 2.416 42 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 42 I C -1.700 174.388 176.117 -0.048 0.000 1.051 42 I CA -1.796 59.477 61.300 -0.044 0.000 1.375 42 I CB 0.613 38.585 38.000 -0.046 0.000 1.407 42 I HN -0.042 nan 8.210 nan 0.000 0.516 43 P HA -0.050 nan 4.420 nan 0.000 0.261 43 P C 0.674 177.934 177.300 -0.066 0.000 1.183 43 P CA 0.150 63.216 63.100 -0.057 0.000 0.761 43 P CB 0.493 32.155 31.700 -0.063 0.000 0.785 44 S N 1.244 116.912 115.700 -0.054 0.000 2.595 44 S HA -0.126 4.344 4.470 -0.000 0.000 0.235 44 S C 0.884 175.443 174.600 -0.068 0.000 0.974 44 S CA 0.962 59.131 58.200 -0.052 0.000 0.942 44 S CB -0.536 62.644 63.200 -0.034 0.000 0.766 44 S HN 0.579 nan 8.310 nan 0.000 0.536 45 D N -0.327 120.024 120.400 -0.082 0.000 2.535 45 D HA 0.144 4.783 4.640 -0.000 0.000 0.229 45 D C 1.075 177.291 176.300 -0.141 0.000 1.238 45 D CA -0.493 53.447 54.000 -0.100 0.000 0.824 45 D CB -0.407 40.349 40.800 -0.074 0.000 1.045 45 D HN 0.384 nan 8.370 nan 0.000 0.500 46 I N 1.475 121.954 120.570 -0.152 0.000 2.361 46 I HA -0.133 4.037 4.170 -0.000 0.000 0.251 46 I C 0.334 176.283 176.117 -0.280 0.000 1.133 46 I CA 0.909 62.102 61.300 -0.178 0.000 1.413 46 I CB 0.170 38.077 38.000 -0.154 0.000 1.073 46 I HN 0.089 nan 8.210 nan 0.000 0.424 47 V N -1.990 117.694 119.914 -0.383 0.000 2.876 47 V HA 0.667 4.786 4.120 -0.000 0.000 0.312 47 V C -2.713 173.083 176.094 -0.497 0.000 1.085 47 V CA -1.788 60.118 62.300 -0.657 0.000 0.945 47 V CB 1.232 32.257 31.823 -1.330 0.000 1.017 47 V HN -0.020 nan 8.190 nan 0.000 0.428 48 P HA 0.191 nan 4.420 nan 0.000 0.276 48 P C 0.240 177.543 177.300 0.006 0.000 1.244 48 P CA -0.059 62.877 63.100 -0.274 0.000 0.801 48 P CB 0.549 31.904 31.700 -0.575 0.000 1.006 49 N N -0.617 118.131 118.700 0.080 0.000 2.714 49 N HA -0.186 4.553 4.740 -0.000 0.000 0.252 49 N C -0.856 174.768 175.510 0.190 0.000 1.014 49 N CA 0.336 53.485 53.050 0.164 0.000 0.735 49 N CB -1.310 37.333 38.487 0.259 0.000 0.924 49 N HN 0.502 nan 8.380 nan 0.000 0.540 50 C N 1.373 120.740 119.300 0.112 0.000 2.285 50 C HA 0.418 4.877 4.460 -0.000 0.000 0.335 50 C C 0.860 175.900 174.990 0.083 0.000 1.267 50 C CA -0.257 58.833 59.018 0.121 0.000 1.762 50 C CB -0.079 27.668 27.740 0.012 0.000 2.365 50 C HN 0.443 nan 8.230 nan 0.000 0.527 51 T N 6.235 120.848 114.554 0.100 0.000 2.738 51 T HA 0.259 4.609 4.350 -0.000 0.000 0.293 51 T C 0.036 174.770 174.700 0.056 0.000 0.913 51 T CA -0.004 62.142 62.100 0.075 0.000 1.103 51 T CB 0.167 69.088 68.868 0.087 0.000 0.880 51 T HN 0.583 nan 8.240 nan 0.000 0.526 52 V N 5.250 125.187 119.914 0.038 0.000 2.407 52 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 52 V C 0.202 176.315 176.094 0.031 0.000 1.037 52 V CA -0.685 61.629 62.300 0.023 0.000 0.900 52 V CB 1.421 33.250 31.823 0.009 0.000 0.983 52 V HN 0.613 nan 8.190 nan 0.000 0.459 53 V N 3.737 123.668 119.914 0.028 0.000 2.384 53 V HA 0.313 4.433 4.120 -0.000 0.000 0.287 53 V C -0.147 175.966 176.094 0.030 0.000 1.020 53 V CA -0.624 61.703 62.300 0.044 0.000 0.850 53 V CB 1.759 33.625 31.823 0.073 0.000 0.987 53 V HN 0.887 nan 8.190 nan 0.000 0.436 54 D N 4.801 125.221 120.400 0.033 0.000 2.352 54 D HA 0.226 4.866 4.640 -0.000 0.000 0.245 54 D C 0.384 176.705 176.300 0.036 0.000 1.224 54 D CA 0.118 54.135 54.000 0.027 0.000 0.879 54 D CB 0.858 41.672 40.800 0.024 0.000 1.057 54 D HN 0.489 nan 8.370 nan 0.000 0.491 55 L N 2.835 124.078 121.223 0.034 0.000 2.872 55 L HA 0.125 4.465 4.340 -0.000 0.000 0.245 55 L C 0.702 177.599 176.870 0.046 0.000 1.211 55 L CA -0.398 54.469 54.840 0.046 0.000 1.013 55 L CB -0.117 41.971 42.059 0.047 0.000 1.326 55 L HN 0.291 nan 8.230 nan 0.000 0.525 56 S N -0.269 115.452 115.700 0.035 0.000 2.537 56 S HA 0.333 4.803 4.470 -0.000 0.000 0.286 56 S C 1.358 175.985 174.600 0.045 0.000 1.299 56 S CA 0.311 58.530 58.200 0.033 0.000 1.067 56 S CB 1.147 64.360 63.200 0.021 0.000 0.864 56 S HN 0.590 nan 8.310 nan 0.000 0.494 57 G N 1.664 110.497 108.800 0.055 0.000 2.179 57 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.260 57 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.260 57 G C -0.029 174.920 174.900 0.082 0.000 0.977 57 G CA 0.318 45.457 45.100 0.066 0.000 0.641 57 G HN 0.801 nan 8.290 nan 0.000 0.533 58 Q N -0.457 119.397 119.800 0.089 0.000 2.333 58 Q HA 0.781 5.121 4.340 -0.000 0.000 0.266 58 Q C 0.278 176.359 176.000 0.135 0.000 1.053 58 Q CA -0.757 55.105 55.803 0.097 0.000 0.890 58 Q CB 1.585 30.371 28.738 0.080 0.000 1.337 58 Q HN 0.407 nan 8.270 nan 0.000 0.474 59 I N 1.069 121.719 120.570 0.132 0.000 2.493 59 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 59 I C -0.792 175.413 176.117 0.147 0.000 0.998 59 I CA -1.045 60.363 61.300 0.179 0.000 1.137 59 I CB 1.675 39.766 38.000 0.150 0.000 1.310 59 I HN 0.271 nan 8.210 nan 0.000 0.445 60 L N 7.534 128.863 121.223 0.176 0.000 2.381 60 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 60 L C -0.557 176.405 176.870 0.152 0.000 0.988 60 L CA -0.086 54.827 54.840 0.121 0.000 0.824 60 L CB 1.248 43.354 42.059 0.078 0.000 1.263 60 L HN 0.913 nan 8.230 nan 0.000 0.410 61 C N 2.122 121.485 119.300 0.105 0.000 3.323 61 C HA 0.833 5.293 4.460 -0.000 0.000 0.324 61 C C -2.760 172.269 174.990 0.065 0.000 1.428 61 C CA -2.042 57.046 59.018 0.117 0.000 1.368 61 C CB 1.621 29.438 27.740 0.129 0.000 1.731 61 C HN 0.666 nan 8.230 nan 0.000 0.455 62 P HA 0.364 nan 4.420 nan 0.000 0.271 62 P C 0.314 177.627 177.300 0.022 0.000 1.218 62 P CA 0.821 63.963 63.100 0.071 0.000 0.780 62 P CB 0.348 32.113 31.700 0.109 0.000 0.901 63 G N 1.907 110.705 108.800 -0.004 0.000 2.544 63 G HA2 0.259 4.219 3.960 -0.000 0.000 0.242 63 G HA3 0.259 4.219 3.960 -0.000 0.000 0.242 63 G C -0.621 174.311 174.900 0.055 0.000 1.247 63 G CA -0.276 44.765 45.100 -0.099 0.000 0.840 63 G HN 0.233 nan 8.290 nan 0.000 0.578 64 F N -0.278 119.704 119.950 0.053 0.000 2.418 64 F HA 0.392 4.919 4.527 -0.000 0.000 0.341 64 F C 0.913 176.753 175.800 0.066 0.000 1.120 64 F CA -1.094 56.938 58.000 0.054 0.000 1.232 64 F CB 0.825 39.855 39.000 0.049 0.000 1.175 64 F HN 0.115 nan 8.300 nan 0.000 0.569 65 I N 2.413 123.153 120.570 0.283 0.000 2.390 65 I HA 0.165 4.334 4.170 -0.000 0.000 0.283 65 I C -0.660 175.559 176.117 0.170 0.000 1.016 65 I CA -0.576 60.844 61.300 0.200 0.000 1.151 65 I CB 1.234 39.327 38.000 0.155 0.000 1.293 65 I HN 0.366 nan 8.210 nan 0.000 0.458 66 D N 6.410 126.917 120.400 0.179 0.000 2.443 66 D HA 0.113 4.753 4.640 -0.000 0.000 0.221 66 D C 0.710 177.115 176.300 0.175 0.000 1.097 66 D CA -0.345 53.762 54.000 0.178 0.000 0.865 66 D CB 1.139 42.074 40.800 0.226 0.000 1.034 66 D HN 0.595 nan 8.370 nan 0.000 0.511 67 Q N 2.150 122.041 119.800 0.150 0.000 2.322 67 Q HA 0.027 4.367 4.340 -0.000 0.000 0.203 67 Q C -0.341 175.742 176.000 0.139 0.000 0.923 67 Q CA 0.190 56.075 55.803 0.137 0.000 0.949 67 Q CB 0.012 28.820 28.738 0.116 0.000 1.039 67 Q HN 0.431 nan 8.270 nan 0.000 0.496 68 H N -0.219 118.892 119.070 0.069 0.000 2.651 68 H HA 0.470 5.026 4.556 -0.000 0.000 0.252 68 H C -1.870 173.496 175.328 0.063 0.000 1.365 68 H CA -0.523 55.544 56.048 0.031 0.000 1.539 68 H CB 0.912 30.679 29.762 0.008 0.000 1.621 68 H HN 0.059 nan 8.280 nan 0.000 0.526 69 V N 3.621 123.582 119.914 0.079 0.000 2.638 69 V HA 0.144 4.264 4.120 -0.000 0.000 0.306 69 V C -0.125 175.956 176.094 -0.021 0.000 1.052 69 V CA -0.911 61.491 62.300 0.170 0.000 0.885 69 V CB 1.847 33.862 31.823 0.321 0.000 0.999 69 V HN 0.743 nan 8.190 nan 0.000 0.424 70 H N 5.654 124.820 119.070 0.160 0.000 2.923 70 H HA 0.279 4.835 4.556 -0.000 0.000 0.251 70 H C 1.117 176.511 175.328 0.110 0.000 1.741 70 H CA -0.081 56.025 56.048 0.096 0.000 1.387 70 H CB 0.573 30.376 29.762 0.068 0.000 1.740 70 H HN 0.549 nan 8.280 nan 0.000 0.544 71 L N 1.579 122.890 121.223 0.147 0.000 2.043 71 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 71 L C 2.243 179.182 176.870 0.115 0.000 1.075 71 L CA 1.656 56.575 54.840 0.130 0.000 0.752 71 L CB -0.215 41.890 42.059 0.077 0.000 0.891 71 L HN 0.538 nan 8.230 nan 0.000 0.432 72 I N -2.932 117.698 120.570 0.101 0.000 3.793 72 I HA 0.433 4.603 4.170 -0.000 0.000 0.315 72 I C 0.767 176.934 176.117 0.083 0.000 1.275 72 I CA 0.178 61.527 61.300 0.082 0.000 1.214 72 I CB -0.306 37.734 38.000 0.067 0.000 1.018 72 I HN 0.159 nan 8.210 nan 0.000 0.439 73 G N 0.131 108.998 108.800 0.112 0.000 2.587 73 G HA2 0.270 4.229 3.960 -0.000 0.000 0.686 73 G HA3 0.270 4.229 3.960 -0.000 0.000 0.686 73 G C -0.520 174.415 174.900 0.057 0.000 1.236 73 G CA -0.627 44.520 45.100 0.079 0.000 0.820 73 G HN 0.679 nan 8.290 nan 0.000 0.645 74 G N -1.133 107.641 108.800 -0.043 0.000 3.187 74 G HA2 1.029 4.989 3.960 -0.000 0.000 0.175 74 G HA3 1.029 4.989 3.960 -0.000 0.000 0.175 74 G C 1.252 176.041 174.900 -0.185 0.000 1.112 74 G CA 1.333 46.324 45.100 -0.182 0.000 0.821 74 G HN 2.742 nan 8.290 nan 0.000 0.636 75 G N -1.078 107.566 108.800 -0.260 0.000 2.575 75 G HA2 0.319 4.279 3.960 -0.000 0.000 0.267 75 G HA3 0.319 4.279 3.960 -0.000 0.000 0.267 75 G C 1.483 176.295 174.900 -0.147 0.000 1.264 75 G CA 1.714 46.705 45.100 -0.181 0.000 0.935 75 G HN 2.651 nan 8.290 nan 0.000 0.568 76 G N -1.894 106.846 108.800 -0.101 0.000 2.175 76 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.244 76 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.244 76 G C 0.830 175.688 174.900 -0.071 0.000 0.982 76 G CA 1.323 46.375 45.100 -0.080 0.000 0.641 76 G HN 1.236 nan 8.290 nan 0.000 0.527 77 E N -0.018 120.138 120.200 -0.073 0.000 2.409 77 E HA 0.251 4.601 4.350 -0.000 0.000 0.198 77 E C 1.839 178.427 176.600 -0.021 0.000 1.024 77 E CA 0.801 57.175 56.400 -0.044 0.000 0.861 77 E CB 0.054 29.734 29.700 -0.033 0.000 0.788 77 E HN 0.810 nan 8.360 nan 0.000 0.521 78 A N 1.018 123.822 122.820 -0.027 0.000 2.855 78 A HA 0.542 4.862 4.320 -0.000 0.000 0.301 78 A C 0.356 177.928 177.584 -0.020 0.000 1.076 78 A CA 0.199 52.225 52.037 -0.018 0.000 1.004 78 A CB 0.154 19.143 19.000 -0.018 0.000 1.152 78 A HN 0.158 nan 8.150 nan 0.000 0.531 79 G N 0.534 109.320 108.800 -0.023 0.000 2.663 79 G HA2 -0.070 3.889 3.960 -0.000 0.000 0.686 79 G HA3 -0.070 3.889 3.960 -0.000 0.000 0.686 79 G C -1.547 173.337 174.900 -0.026 0.000 1.288 79 G CA -0.253 44.834 45.100 -0.022 0.000 0.836 79 G HN 0.139 nan 8.290 nan 0.000 0.584 80 P HA -0.152 nan 4.420 nan 0.000 0.221 80 P C 1.863 179.149 177.300 -0.023 0.000 1.145 80 P CA 2.472 65.558 63.100 -0.024 0.000 0.795 80 P CB -0.288 31.401 31.700 -0.018 0.000 0.775 81 T N -3.087 111.455 114.554 -0.021 0.000 3.035 81 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 81 T C 1.487 176.173 174.700 -0.024 0.000 1.109 81 T CA 1.586 63.675 62.100 -0.019 0.000 1.119 81 T CB -1.518 67.340 68.868 -0.016 0.000 0.900 81 T HN 0.243 nan 8.240 nan 0.000 0.503 82 T N -0.756 113.780 114.554 -0.030 0.000 3.163 82 T HA 0.280 4.630 4.350 -0.000 0.000 0.252 82 T C 0.649 175.320 174.700 -0.049 0.000 1.056 82 T CA -0.706 61.371 62.100 -0.038 0.000 0.947 82 T CB -0.335 68.508 68.868 -0.041 0.000 1.016 82 T HN 0.315 nan 8.240 nan 0.000 0.554 83 R N 3.318 123.792 120.500 -0.042 0.000 2.296 83 R HA 0.293 4.633 4.340 -0.000 0.000 0.323 83 R C 0.592 176.871 176.300 -0.035 0.000 1.067 83 R CA -0.155 55.917 56.100 -0.046 0.000 0.946 83 R CB 0.477 30.756 30.300 -0.035 0.000 0.991 83 R HN 0.513 nan 8.270 nan 0.000 0.448 84 T N 1.200 115.728 114.554 -0.043 0.000 2.860 84 T HA 0.289 4.639 4.350 -0.000 0.000 0.299 84 T C -1.690 173.011 174.700 0.001 0.000 1.045 84 T CA -1.451 60.635 62.100 -0.024 0.000 1.071 84 T CB 1.017 69.863 68.868 -0.036 0.000 0.985 84 T HN 0.335 nan 8.240 nan 0.000 0.537 85 P HA 0.202 nan 4.420 nan 0.000 0.276 85 P C -0.099 177.235 177.300 0.057 0.000 1.261 85 P CA -0.587 62.533 63.100 0.032 0.000 0.800 85 P CB 0.525 32.245 31.700 0.034 0.000 1.066 86 E N -0.396 119.842 120.200 0.063 0.000 2.392 86 E HA 0.224 4.574 4.350 -0.000 0.000 0.259 86 E C -0.523 176.143 176.600 0.109 0.000 1.108 86 E CA -0.890 55.561 56.400 0.084 0.000 0.916 86 E CB 0.233 29.975 29.700 0.071 0.000 0.989 86 E HN 0.062 nan 8.360 nan 0.000 0.432 87 V N 1.165 121.161 119.914 0.137 0.000 2.614 87 V HA 0.316 4.436 4.120 -0.000 0.000 0.291 87 V C 0.355 176.513 176.094 0.108 0.000 1.049 87 V CA -0.057 62.347 62.300 0.174 0.000 1.038 87 V CB 0.864 32.823 31.823 0.226 0.000 0.980 87 V HN 0.793 nan 8.190 nan 0.000 0.481 88 A N 4.057 126.940 122.820 0.105 0.000 2.301 88 A HA 0.538 4.858 4.320 -0.000 0.000 0.298 88 A C 0.773 178.363 177.584 0.010 0.000 1.185 88 A CA -0.508 51.565 52.037 0.060 0.000 0.830 88 A CB 0.667 19.708 19.000 0.068 0.000 1.112 88 A HN 0.922 nan 8.150 nan 0.000 0.508 89 L N 3.802 125.017 121.223 -0.012 0.000 1.997 89 L HA -0.262 4.078 4.340 -0.000 0.000 0.216 89 L C 2.678 179.510 176.870 -0.063 0.000 1.074 89 L CA 3.331 58.141 54.840 -0.051 0.000 0.763 89 L CB -0.658 41.372 42.059 -0.048 0.000 0.890 89 L HN 0.884 nan 8.230 nan 0.000 0.434 90 S N -1.098 114.581 115.700 -0.035 0.000 2.400 90 S HA -0.210 4.260 4.470 -0.000 0.000 0.232 90 S C 2.084 176.670 174.600 -0.024 0.000 1.025 90 S CA 0.882 59.064 58.200 -0.031 0.000 0.993 90 S CB -0.638 62.555 63.200 -0.011 0.000 0.808 90 S HN 0.488 nan 8.310 nan 0.000 0.478 91 R N 1.210 121.707 120.500 -0.006 0.000 2.092 91 R HA 0.199 4.538 4.340 -0.000 0.000 0.231 91 R C 2.340 178.578 176.300 -0.103 0.000 1.119 91 R CA 1.038 57.163 56.100 0.041 0.000 0.970 91 R CB -1.251 29.154 30.300 0.174 0.000 0.864 91 R HN 0.484 nan 8.270 nan 0.000 0.440 92 L N 0.364 121.412 121.223 -0.292 0.000 1.988 92 L HA -0.149 4.190 4.340 -0.000 0.000 0.207 92 L C 2.697 179.448 176.870 -0.199 0.000 1.071 92 L CA 1.965 56.531 54.840 -0.456 0.000 0.744 92 L CB -1.104 40.705 42.059 -0.417 0.000 0.893 92 L HN 0.286 nan 8.230 nan 0.000 0.433 93 T N -2.727 111.747 114.554 -0.133 0.000 2.720 93 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 93 T C 1.594 176.254 174.700 -0.067 0.000 1.037 93 T CA 1.498 63.543 62.100 -0.093 0.000 1.144 93 T CB -0.489 68.327 68.868 -0.086 0.000 0.864 93 T HN 0.347 nan 8.240 nan 0.000 0.444 94 E N 1.446 121.621 120.200 -0.042 0.000 2.265 94 E HA 0.082 4.432 4.350 -0.000 0.000 0.196 94 E C 2.195 178.809 176.600 0.024 0.000 0.996 94 E CA 0.770 57.163 56.400 -0.011 0.000 0.832 94 E CB -0.223 29.483 29.700 0.010 0.000 0.756 94 E HN 0.741 nan 8.360 nan 0.000 0.491 95 A N -0.089 122.756 122.820 0.043 0.000 2.275 95 A HA 0.314 4.634 4.320 -0.000 0.000 0.212 95 A C 1.640 179.316 177.584 0.152 0.000 1.201 95 A CA 0.697 52.813 52.037 0.132 0.000 0.843 95 A CB 0.038 19.165 19.000 0.212 0.000 0.873 95 A HN 0.300 nan 8.150 nan 0.000 0.492 96 G N -1.541 107.254 108.800 -0.008 0.000 2.157 96 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.239 96 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.239 96 G C 0.126 174.932 174.900 -0.155 0.000 0.982 96 G CA 0.079 45.045 45.100 -0.224 0.000 0.650 96 G HN 0.768 nan 8.290 nan 0.000 0.527 97 V N 2.072 121.996 119.914 0.017 0.000 2.408 97 V HA 0.509 4.628 4.120 -0.000 0.000 0.267 97 V C 1.510 177.596 176.094 -0.014 0.000 1.047 97 V CA 0.968 63.301 62.300 0.055 0.000 0.937 97 V CB 1.066 32.884 31.823 -0.009 0.000 0.999 97 V HN 0.656 nan 8.190 nan 0.000 0.472 98 T N -0.049 114.521 114.554 0.027 0.000 2.971 98 T HA 0.211 4.561 4.350 -0.000 0.000 0.252 98 T C 0.653 175.391 174.700 0.063 0.000 1.022 98 T CA -0.073 62.039 62.100 0.020 0.000 0.980 98 T CB 0.417 69.298 68.868 0.021 0.000 1.044 98 T HN 0.448 nan 8.240 nan 0.000 0.501 99 S N 0.368 116.143 115.700 0.124 0.000 2.536 99 S HA 0.788 5.258 4.470 -0.000 0.000 0.287 99 S C -1.421 173.304 174.600 0.209 0.000 1.101 99 S CA -0.630 57.699 58.200 0.216 0.000 0.950 99 S CB 2.379 65.775 63.200 0.326 0.000 1.056 99 S HN 0.335 nan 8.310 nan 0.000 0.481 100 V N 3.228 123.285 119.914 0.238 0.000 3.087 100 V HA 0.721 4.840 4.120 -0.000 0.000 0.306 100 V C -1.673 174.582 176.094 0.270 0.000 1.187 100 V CA -0.477 61.943 62.300 0.200 0.000 0.999 100 V CB 2.289 34.168 31.823 0.093 0.000 1.049 100 V HN 0.640 nan 8.190 nan 0.000 0.431 101 V N 4.993 125.033 119.914 0.210 0.000 2.407 101 V HA 0.734 4.854 4.120 -0.000 0.000 0.291 101 V C 0.712 176.858 176.094 0.086 0.000 1.018 101 V CA 0.112 62.526 62.300 0.190 0.000 0.842 101 V CB 1.268 33.179 31.823 0.147 0.000 0.996 101 V HN 1.082 nan 8.190 nan 0.000 0.426 102 G N 4.510 113.349 108.800 0.065 0.000 2.476 102 G HA2 0.740 4.700 3.960 -0.000 0.000 0.286 102 G HA3 0.740 4.700 3.960 -0.000 0.000 0.286 102 G C -1.018 173.842 174.900 -0.067 0.000 1.177 102 G CA -0.313 44.786 45.100 -0.001 0.000 0.870 102 G HN 0.790 nan 8.290 nan 0.000 0.528 103 L N -1.424 119.705 121.223 -0.156 0.000 2.838 103 L HA 0.683 5.023 4.340 -0.000 0.000 0.266 103 L C -0.771 176.003 176.870 -0.161 0.000 1.040 103 L CA -1.208 53.523 54.840 -0.182 0.000 0.906 103 L CB 0.892 42.770 42.059 -0.302 0.000 1.501 103 L HN 0.430 nan 8.230 nan 0.000 0.407 104 L N -0.298 120.891 121.223 -0.058 0.000 2.332 104 L HA 0.971 5.311 4.340 -0.000 0.000 0.269 104 L C 0.678 177.606 176.870 0.098 0.000 1.016 104 L CA -0.173 54.692 54.840 0.041 0.000 0.809 104 L CB 1.593 43.653 42.059 0.001 0.000 1.280 104 L HN 1.005 nan 8.230 nan 0.000 0.447 105 G N -0.846 107.979 108.800 0.043 0.000 3.356 105 G HA2 0.196 4.155 3.960 -0.000 0.000 0.178 105 G HA3 0.196 4.155 3.960 -0.000 0.000 0.178 105 G C 0.659 175.010 174.900 -0.915 0.000 1.175 105 G CA 0.341 45.275 45.100 -0.278 0.000 0.840 105 G HN 0.499 nan 8.290 nan 0.000 0.658 106 T N 0.593 114.295 114.554 -1.420 0.000 2.720 106 T HA -0.059 4.290 4.350 -0.000 0.000 0.268 106 T C 0.663 175.113 174.700 -0.416 0.000 1.037 106 T CA 1.601 63.070 62.100 -1.051 0.000 1.144 106 T CB -0.189 68.291 68.868 -0.647 0.000 0.864 106 T HN 0.348 nan 8.240 nan 0.000 0.444 107 D N 1.553 121.758 120.400 -0.325 0.000 2.347 107 D HA 0.237 4.877 4.640 -0.000 0.000 0.235 107 D C 0.165 176.356 176.300 -0.182 0.000 1.149 107 D CA -0.308 53.572 54.000 -0.200 0.000 0.850 107 D CB 0.572 41.273 40.800 -0.166 0.000 1.061 107 D HN 0.227 nan 8.370 nan 0.000 0.487 108 S N 3.183 118.778 115.700 -0.175 0.000 2.843 108 S HA 0.198 4.668 4.470 -0.000 0.000 0.249 108 S C 1.006 175.431 174.600 -0.292 0.000 1.047 108 S CA -0.548 57.523 58.200 -0.215 0.000 1.042 108 S CB 0.021 63.136 63.200 -0.142 0.000 0.936 108 S HN 0.407 nan 8.310 nan 0.000 0.531 109 I N 2.037 122.456 120.570 -0.251 0.000 3.300 109 I HA 0.136 4.305 4.170 -0.000 0.000 0.279 109 I C 2.250 178.237 176.117 -0.218 0.000 1.172 109 I CA 1.156 62.332 61.300 -0.207 0.000 1.431 109 I CB -0.589 37.346 38.000 -0.108 0.000 1.240 109 I HN 0.585 nan 8.210 nan 0.000 0.453 110 S N 0.505 116.105 115.700 -0.168 0.000 2.540 110 S HA 0.251 4.721 4.470 -0.000 0.000 0.218 110 S C 0.725 175.295 174.600 -0.051 0.000 0.977 110 S CA -0.347 57.833 58.200 -0.034 0.000 0.918 110 S CB 0.370 63.562 63.200 -0.013 0.000 0.806 110 S HN 0.084 nan 8.310 nan 0.000 0.496 111 R N 1.448 121.780 120.500 -0.279 0.000 2.562 111 R HA 0.592 4.932 4.340 -0.000 0.000 0.298 111 R C -1.547 174.495 176.300 -0.431 0.000 0.961 111 R CA -0.368 55.633 56.100 -0.164 0.000 0.881 111 R CB 1.136 31.375 30.300 -0.101 0.000 1.159 111 R HN 0.429 nan 8.270 nan 0.000 0.450 112 H N 1.311 120.373 119.070 -0.013 0.000 2.768 112 H HA 0.279 4.835 4.556 -0.000 0.000 0.371 112 H C -1.696 173.629 175.328 -0.006 0.000 1.151 112 H CA -1.665 54.374 56.048 -0.014 0.000 1.165 112 H CB 1.946 31.698 29.762 -0.016 0.000 1.722 112 H HN 0.250 nan 8.280 nan 0.000 0.543 113 P HA -0.151 nan 4.420 nan 0.000 0.220 113 P C 0.439 177.774 177.300 0.058 0.000 1.148 113 P CA 1.207 64.341 63.100 0.058 0.000 0.803 113 P CB 0.596 32.319 31.700 0.039 0.000 0.782 114 E N -0.015 120.227 120.200 0.070 0.000 2.150 114 E HA -0.079 4.270 4.350 -0.000 0.000 0.193 114 E C 2.274 178.893 176.600 0.032 0.000 0.985 114 E CA 1.252 57.675 56.400 0.037 0.000 0.814 114 E CB -0.641 29.069 29.700 0.017 0.000 0.752 114 E HN 0.242 nan 8.360 nan 0.000 0.466 115 S N 0.434 116.167 115.700 0.054 0.000 2.371 115 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 115 S C 1.844 176.469 174.600 0.042 0.000 1.029 115 S CA 0.435 58.662 58.200 0.045 0.000 0.978 115 S CB -0.175 63.068 63.200 0.073 0.000 0.833 115 S HN 0.207 nan 8.310 nan 0.000 0.466 116 L N 1.360 122.611 121.223 0.048 0.000 2.046 116 L HA -0.061 4.278 4.340 -0.000 0.000 0.208 116 L C 2.295 179.179 176.870 0.024 0.000 1.077 116 L CA 1.226 56.088 54.840 0.036 0.000 0.747 116 L CB -0.325 41.754 42.059 0.033 0.000 0.896 116 L HN 0.354 nan 8.230 nan 0.000 0.432 117 L N -0.597 120.639 121.223 0.022 0.000 2.017 117 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 117 L C 2.713 179.582 176.870 -0.001 0.000 1.073 117 L CA 1.634 56.480 54.840 0.010 0.000 0.745 117 L CB -0.449 41.617 42.059 0.012 0.000 0.894 117 L HN 0.320 nan 8.230 nan 0.000 0.432 118 A N 0.058 122.881 122.820 0.005 0.000 1.883 118 A HA -0.297 4.022 4.320 -0.000 0.000 0.217 118 A C 2.229 179.813 177.584 0.001 0.000 1.186 118 A CA 2.151 54.189 52.037 0.001 0.000 0.624 118 A CB -0.509 18.495 19.000 0.007 0.000 0.822 118 A HN 0.362 nan 8.150 nan 0.000 0.444 119 K N -0.393 120.013 120.400 0.010 0.000 2.057 119 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 119 K C 1.937 178.531 176.600 -0.010 0.000 1.049 119 K CA 2.259 58.554 56.287 0.012 0.000 0.931 119 K CB -0.921 31.596 32.500 0.029 0.000 0.714 119 K HN 0.402 nan 8.250 nan 0.000 0.440 120 T N 0.446 114.989 114.554 -0.018 0.000 2.720 120 T HA -0.113 4.236 4.350 -0.000 0.000 0.268 120 T C 1.828 176.475 174.700 -0.089 0.000 1.037 120 T CA 1.639 63.707 62.100 -0.052 0.000 1.144 120 T CB -0.192 68.648 68.868 -0.047 0.000 0.864 120 T HN 0.289 nan 8.240 nan 0.000 0.444 121 R N 0.668 121.126 120.500 -0.069 0.000 2.115 121 R HA 0.144 4.484 4.340 -0.000 0.000 0.226 121 R C 2.790 179.050 176.300 -0.067 0.000 1.100 121 R CA 1.008 57.061 56.100 -0.079 0.000 0.980 121 R CB -0.354 29.913 30.300 -0.055 0.000 0.875 121 R HN 0.347 nan 8.270 nan 0.000 0.445 122 A N 1.032 123.827 122.820 -0.042 0.000 1.902 122 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 122 A C 1.916 179.469 177.584 -0.051 0.000 1.181 122 A CA 1.095 53.113 52.037 -0.032 0.000 0.623 122 A CB -0.366 18.632 19.000 -0.002 0.000 0.818 122 A HN 0.093 nan 8.150 nan 0.000 0.443 123 L N 0.642 121.830 121.223 -0.058 0.000 2.083 123 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 123 L C 2.059 178.870 176.870 -0.099 0.000 1.083 123 L CA 1.589 56.386 54.840 -0.073 0.000 0.752 123 L CB -1.437 40.578 42.059 -0.073 0.000 0.899 123 L HN 0.393 nan 8.230 nan 0.000 0.433 124 N N -0.276 118.349 118.700 -0.125 0.000 2.142 124 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 124 N C 1.705 177.151 175.510 -0.106 0.000 1.023 124 N CA 1.081 54.041 53.050 -0.149 0.000 0.852 124 N CB -0.031 38.342 38.487 -0.190 0.000 0.998 124 N HN 0.485 nan 8.380 nan 0.000 0.424 125 E N 0.914 121.062 120.200 -0.086 0.000 2.106 125 E HA -0.128 4.221 4.350 -0.000 0.000 0.192 125 E C 1.356 177.915 176.600 -0.068 0.000 0.984 125 E CA 0.725 57.083 56.400 -0.070 0.000 0.806 125 E CB -0.081 29.584 29.700 -0.059 0.000 0.750 125 E HN 0.486 nan 8.360 nan 0.000 0.458 126 E N -0.786 119.371 120.200 -0.071 0.000 2.409 126 E HA -0.073 4.277 4.350 -0.000 0.000 0.198 126 E C 1.212 177.771 176.600 -0.067 0.000 1.024 126 E CA 0.523 56.881 56.400 -0.070 0.000 0.861 126 E CB 0.303 29.962 29.700 -0.068 0.000 0.788 126 E HN 0.404 nan 8.360 nan 0.000 0.521 127 G N 0.756 109.515 108.800 -0.069 0.000 2.624 127 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.190 127 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.190 127 G C 0.400 175.264 174.900 -0.059 0.000 1.008 127 G CA 0.033 45.097 45.100 -0.060 0.000 0.731 127 G HN 0.252 nan 8.290 nan 0.000 0.478 128 I N -0.916 119.610 120.570 -0.073 0.000 3.830 128 I HA 0.891 5.061 4.170 -0.000 0.000 0.272 128 I C -0.036 176.013 176.117 -0.114 0.000 1.333 128 I CA -1.109 60.149 61.300 -0.070 0.000 1.006 128 I CB 1.688 39.650 38.000 -0.063 0.000 1.472 128 I HN -0.044 nan 8.210 nan 0.000 0.604 129 S N 0.901 116.530 115.700 -0.118 0.000 2.478 129 S HA 0.815 5.285 4.470 -0.000 0.000 0.312 129 S C -0.604 173.779 174.600 -0.362 0.000 1.094 129 S CA -0.572 57.450 58.200 -0.296 0.000 1.081 129 S CB 1.466 64.566 63.200 -0.167 0.000 1.007 129 S HN 0.870 nan 8.310 nan 0.000 0.475 130 A N 3.197 125.639 122.820 -0.629 0.000 2.449 130 A HA 0.849 5.169 4.320 -0.000 0.000 0.302 130 A C -1.380 175.868 177.584 -0.561 0.000 1.048 130 A CA -0.736 51.076 52.037 -0.375 0.000 0.708 130 A CB 1.285 20.177 19.000 -0.180 0.000 1.274 130 A HN 0.781 nan 8.150 nan 0.000 0.410 131 W N 0.745 122.049 121.300 0.006 0.000 3.055 131 W HA 0.722 5.382 4.660 -0.000 0.000 0.340 131 W C -0.246 176.271 176.519 -0.004 0.000 1.180 131 W CA -0.479 56.867 57.345 0.002 0.000 1.077 131 W CB 2.075 31.538 29.460 0.005 0.000 1.479 131 W HN 0.939 nan 8.180 nan 0.000 0.593 132 M N 0.416 120.160 119.600 0.240 0.000 2.683 132 M HA 0.690 5.169 4.480 -0.000 0.000 0.274 132 M C -2.151 174.198 176.300 0.082 0.000 1.272 132 M CA -0.939 54.430 55.300 0.114 0.000 0.833 132 M CB 2.565 35.202 32.600 0.062 0.000 1.708 132 M HN 0.231 nan 8.290 nan 0.000 0.463 133 L N 0.928 122.167 121.223 0.026 0.000 2.329 133 L HA 0.612 4.952 4.340 -0.000 0.000 0.279 133 L C 0.195 177.064 176.870 -0.002 0.000 1.014 133 L CA -0.748 54.093 54.840 0.002 0.000 0.814 133 L CB 1.967 44.006 42.059 -0.034 0.000 1.257 133 L HN 0.910 nan 8.230 nan 0.000 0.424 134 T N 1.038 115.592 114.554 -0.001 0.000 2.824 134 T HA 0.657 5.007 4.350 -0.000 0.000 0.277 134 T C 0.389 175.085 174.700 -0.006 0.000 0.975 134 T CA 0.790 62.891 62.100 0.002 0.000 0.966 134 T CB 1.134 70.006 68.868 0.007 0.000 1.054 134 T HN 0.986 nan 8.240 nan 0.000 0.533 135 G N 0.414 109.216 108.800 0.003 0.000 2.693 135 G HA2 0.399 4.359 3.960 -0.000 0.000 0.226 135 G HA3 0.399 4.359 3.960 -0.000 0.000 0.226 135 G C -0.182 174.730 174.900 0.020 0.000 1.354 135 G CA -0.267 44.840 45.100 0.011 0.000 0.873 135 G HN 1.760 nan 8.290 nan 0.000 0.562 136 A N -3.248 119.605 122.820 0.055 0.000 2.809 136 A HA 0.743 5.063 4.320 -0.000 0.000 0.310 136 A C 0.605 178.313 177.584 0.206 0.000 1.138 136 A CA 0.528 52.626 52.037 0.101 0.000 0.610 136 A CB -0.644 18.384 19.000 0.046 0.000 1.432 136 A HN 1.409 nan 8.150 nan 0.000 0.597 137 Y N 0.221 120.525 120.300 0.007 0.000 2.114 137 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 137 Y C 1.519 177.429 175.900 0.017 0.000 1.165 137 Y CA 1.476 59.577 58.100 0.001 0.000 1.148 137 Y CB -0.172 38.265 38.460 -0.038 0.000 0.972 137 Y HN 0.651 nan 8.280 nan 0.000 0.504 138 H N 0.952 120.102 119.070 0.133 0.000 3.001 138 H HA 0.126 4.682 4.556 -0.000 0.000 0.334 138 H C -0.935 174.401 175.328 0.013 0.000 1.034 138 H CA 0.631 56.708 56.048 0.049 0.000 1.420 138 H CB 0.528 30.297 29.762 0.012 0.000 1.405 138 H HN -0.124 nan 8.280 nan 0.000 0.593 139 V N 8.116 127.834 119.914 -0.327 0.000 2.733 139 V HA 0.209 4.328 4.120 -0.000 0.000 0.306 139 V C -2.066 173.851 176.094 -0.295 0.000 1.084 139 V CA -1.495 60.718 62.300 -0.145 0.000 0.905 139 V CB 2.092 33.850 31.823 -0.107 0.000 1.010 139 V HN 0.778 nan 8.190 nan 0.000 0.424 140 P HA 0.108 nan 4.420 nan 0.000 0.267 140 P C -0.078 177.322 177.300 0.166 0.000 1.200 140 P CA 0.094 63.223 63.100 0.049 0.000 0.772 140 P CB 0.546 32.285 31.700 0.065 0.000 0.855 141 S N 2.726 118.484 115.700 0.097 0.000 2.549 141 S HA 0.078 4.548 4.470 -0.000 0.000 0.286 141 S C 0.641 175.277 174.600 0.060 0.000 1.314 141 S CA -0.300 57.951 58.200 0.085 0.000 1.062 141 S CB 0.034 63.254 63.200 0.033 0.000 0.865 141 S HN 0.304 nan 8.310 nan 0.000 0.498 142 R N 2.443 122.962 120.500 0.032 0.000 2.210 142 R HA 0.277 4.617 4.340 -0.000 0.000 0.338 142 R C 0.616 176.920 176.300 0.005 0.000 1.062 142 R CA -0.218 55.874 56.100 -0.012 0.000 0.902 142 R CB 0.562 30.820 30.300 -0.070 0.000 1.050 142 R HN 0.792 nan 8.270 nan 0.000 0.461 143 T N -1.350 113.212 114.554 0.013 0.000 2.919 143 T HA 0.421 4.771 4.350 -0.000 0.000 0.282 143 T C 1.416 176.129 174.700 0.023 0.000 1.020 143 T CA -0.883 61.227 62.100 0.018 0.000 0.994 143 T CB 1.063 69.942 68.868 0.018 0.000 1.180 143 T HN 0.354 nan 8.240 nan 0.000 0.566 144 I N 0.686 121.270 120.570 0.023 0.000 2.339 144 I HA -0.018 4.151 4.170 -0.000 0.000 0.245 144 I C 2.676 178.804 176.117 0.019 0.000 1.096 144 I CA 1.352 62.666 61.300 0.023 0.000 1.408 144 I CB -0.256 37.757 38.000 0.022 0.000 1.092 144 I HN 0.924 nan 8.210 nan 0.000 0.423 145 T N -2.441 112.123 114.554 0.017 0.000 3.086 145 T HA 0.329 4.678 4.350 -0.000 0.000 0.250 145 T C 1.425 176.135 174.700 0.017 0.000 1.074 145 T CA 0.450 62.560 62.100 0.016 0.000 0.988 145 T CB 0.662 69.539 68.868 0.015 0.000 0.988 145 T HN 0.531 nan 8.240 nan 0.000 0.530 146 G N 0.297 109.108 108.800 0.019 0.000 2.176 146 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.232 146 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.232 146 G C 0.075 174.990 174.900 0.024 0.000 0.986 146 G CA 0.125 45.238 45.100 0.021 0.000 0.643 146 G HN 1.236 nan 8.290 nan 0.000 0.522 147 S N -1.391 114.322 115.700 0.021 0.000 2.543 147 S HA 0.580 5.050 4.470 -0.000 0.000 0.271 147 S C 1.153 175.762 174.600 0.015 0.000 1.148 147 S CA 0.356 58.568 58.200 0.021 0.000 0.914 147 S CB 1.845 65.058 63.200 0.021 0.000 1.096 147 S HN 0.765 nan 8.310 nan 0.000 0.471 148 V N 4.342 124.264 119.914 0.012 0.000 2.295 148 V HA -0.099 4.021 4.120 -0.000 0.000 0.246 148 V C 2.563 178.658 176.094 0.002 0.000 1.049 148 V CA 2.472 64.774 62.300 0.003 0.000 1.024 148 V CB -0.769 31.049 31.823 -0.007 0.000 0.648 148 V HN 1.005 nan 8.190 nan 0.000 0.447 149 E N 0.233 120.435 120.200 0.003 0.000 2.058 149 E HA -0.311 4.039 4.350 -0.000 0.000 0.194 149 E C 2.335 178.939 176.600 0.006 0.000 0.997 149 E CA 1.874 58.276 56.400 0.003 0.000 0.801 149 E CB -0.136 29.567 29.700 0.006 0.000 0.746 149 E HN 0.545 nan 8.360 nan 0.000 0.450 150 K N 0.140 120.546 120.400 0.010 0.000 2.097 150 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 150 K C 1.661 178.268 176.600 0.013 0.000 1.050 150 K CA 1.766 58.060 56.287 0.012 0.000 0.938 150 K CB 0.003 32.511 32.500 0.014 0.000 0.718 150 K HN 0.064 nan 8.250 nan 0.000 0.442 151 D N 0.171 120.578 120.400 0.013 0.000 2.092 151 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 151 D C 1.831 178.141 176.300 0.017 0.000 0.994 151 D CA 1.275 55.284 54.000 0.015 0.000 0.828 151 D CB -0.102 40.707 40.800 0.014 0.000 0.963 151 D HN 0.014 nan 8.370 nan 0.000 0.450 152 V N 0.695 120.615 119.914 0.011 0.000 2.515 152 V HA -0.160 3.960 4.120 -0.000 0.000 0.250 152 V C 2.326 178.427 176.094 0.013 0.000 1.058 152 V CA 1.615 63.922 62.300 0.010 0.000 1.064 152 V CB -0.673 31.149 31.823 -0.003 0.000 0.675 152 V HN 0.195 nan 8.190 nan 0.000 0.461 153 A N 0.609 123.435 122.820 0.010 0.000 1.897 153 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 153 A C 2.120 179.714 177.584 0.016 0.000 1.181 153 A CA 1.876 53.919 52.037 0.011 0.000 0.620 153 A CB -0.318 18.687 19.000 0.008 0.000 0.821 153 A HN 0.688 nan 8.150 nan 0.000 0.443 154 I N -4.233 116.347 120.570 0.017 0.000 4.035 154 I HA 0.337 4.507 4.170 -0.000 0.000 0.321 154 I C -0.445 175.685 176.117 0.021 0.000 1.289 154 I CA -0.227 61.083 61.300 0.018 0.000 1.236 154 I CB 0.371 38.379 38.000 0.014 0.000 1.076 154 I HN -0.117 nan 8.210 nan 0.000 0.418 155 I N 4.827 125.412 120.570 0.025 0.000 2.291 155 I HA 0.047 4.216 4.170 -0.000 0.000 0.292 155 I C 1.125 177.268 176.117 0.043 0.000 1.064 155 I CA -0.063 61.254 61.300 0.029 0.000 1.269 155 I CB 0.368 38.385 38.000 0.028 0.000 1.418 155 I HN 0.353 nan 8.210 nan 0.000 0.485 156 D N 7.098 127.523 120.400 0.041 0.000 2.170 156 D HA -0.272 4.367 4.640 -0.000 0.000 0.193 156 D C 1.220 177.583 176.300 0.105 0.000 1.004 156 D CA 1.577 55.614 54.000 0.061 0.000 0.860 156 D CB 0.067 40.890 40.800 0.039 0.000 0.931 156 D HN 0.335 nan 8.370 nan 0.000 0.448 157 R N 0.247 120.792 120.500 0.075 0.000 2.299 157 R HA 0.199 4.539 4.340 -0.000 0.000 0.197 157 R C 0.242 176.662 176.300 0.201 0.000 0.971 157 R CA -0.183 55.984 56.100 0.112 0.000 1.030 157 R CB -0.574 29.716 30.300 -0.016 0.000 0.932 157 R HN 0.203 nan 8.270 nan 0.000 0.477 158 V N 3.179 123.172 119.914 0.132 0.000 2.488 158 V HA 0.125 4.245 4.120 -0.000 0.000 0.277 158 V C 1.571 177.725 176.094 0.100 0.000 1.046 158 V CA -0.083 62.280 62.300 0.105 0.000 0.986 158 V CB 1.182 33.038 31.823 0.056 0.000 0.989 158 V HN 0.205 nan 8.190 nan 0.000 0.475 159 I N 1.417 122.031 120.570 0.074 0.000 4.240 159 I HA 0.741 4.911 4.170 -0.000 0.000 0.331 159 I C 0.654 176.752 176.117 -0.031 0.000 1.381 159 I CA 0.186 61.486 61.300 0.000 0.000 1.136 159 I CB 0.657 38.610 38.000 -0.079 0.000 1.137 159 I HN 0.663 nan 8.210 nan 0.000 0.411 160 G N 0.572 109.365 108.800 -0.012 0.000 2.348 160 G HA2 0.463 4.422 3.960 -0.000 0.000 0.296 160 G HA3 0.463 4.422 3.960 -0.000 0.000 0.296 160 G C -1.933 172.949 174.900 -0.030 0.000 1.258 160 G CA 0.102 45.185 45.100 -0.029 0.000 0.868 160 G HN -0.007 nan 8.290 nan 0.000 0.488 164 A N 0.769 123.543 122.820 -0.076 0.000 2.393 164 A HA 0.963 5.283 4.320 -0.000 0.000 0.306 164 A C -0.740 176.822 177.584 -0.036 0.000 1.050 164 A CA -0.234 51.712 52.037 -0.153 0.000 0.724 164 A CB 0.989 19.630 19.000 -0.599 0.000 1.248 164 A HN 2.174 nan 8.150 nan 0.000 0.424 165 I N -1.885 118.687 120.570 0.002 0.000 3.074 165 I HA 0.699 4.869 4.170 -0.000 0.000 0.310 165 I C 0.147 176.243 176.117 -0.035 0.000 1.153 165 I CA -0.825 60.481 61.300 0.009 0.000 0.993 165 I CB 2.042 40.076 38.000 0.057 0.000 1.237 165 I HN 0.661 nan 8.210 nan 0.000 0.443 166 S N 1.177 116.861 115.700 -0.027 0.000 3.549 166 S HA -0.206 4.264 4.470 -0.000 0.000 0.366 166 S C -0.381 174.200 174.600 -0.031 0.000 1.012 166 S CA 1.363 59.545 58.200 -0.029 0.000 1.141 166 S CB -1.618 61.551 63.200 -0.051 0.000 0.910 166 S HN 0.952 nan 8.310 nan 0.000 0.471 167 D N -0.757 119.626 120.400 -0.027 0.000 2.934 167 D HA 0.297 4.937 4.640 -0.000 0.000 0.230 167 D C 0.772 177.044 176.300 -0.046 0.000 1.204 167 D CA -0.634 53.335 54.000 -0.052 0.000 0.873 167 D CB 1.021 41.785 40.800 -0.060 0.000 1.645 167 D HN 0.397 nan 8.370 nan 0.000 0.502 168 H N 1.906 121.012 119.070 0.059 0.000 2.568 168 H HA 0.082 4.638 4.556 -0.000 0.000 0.281 168 H C 0.627 175.999 175.328 0.073 0.000 1.028 168 H CA 0.955 57.036 56.048 0.054 0.000 1.199 168 H CB -0.029 29.759 29.762 0.044 0.000 1.352 168 H HN 0.155 nan 8.280 nan 0.000 0.605 169 R N 0.633 121.044 120.500 -0.147 0.000 2.543 169 R HA 0.181 4.520 4.340 -0.000 0.000 0.323 169 R C 0.201 176.562 176.300 0.101 0.000 1.002 169 R CA 0.318 56.434 56.100 0.028 0.000 1.106 169 R CB 0.718 31.051 30.300 0.056 0.000 1.280 169 R HN 0.370 nan 8.270 nan 0.000 0.549 170 S N -0.083 115.635 115.700 0.030 0.000 2.641 170 S HA 0.352 4.822 4.470 -0.000 0.000 0.261 170 S C 1.021 175.621 174.600 0.001 0.000 1.257 170 S CA -0.287 57.920 58.200 0.011 0.000 0.983 170 S CB 1.458 64.646 63.200 -0.021 0.000 0.990 170 S HN 0.194 nan 8.310 nan 0.000 0.572 171 A N -0.238 122.539 122.820 -0.073 0.000 2.460 171 A HA 0.684 5.004 4.320 -0.000 0.000 0.258 171 A C 1.151 178.659 177.584 -0.126 0.000 1.300 171 A CA 0.152 52.090 52.037 -0.166 0.000 0.913 171 A CB -1.469 17.228 19.000 -0.505 0.000 1.031 171 A HN 2.297 nan 8.150 nan 0.000 0.512 172 A N 0.429 123.214 122.820 -0.058 0.000 2.739 172 A HA -0.094 4.226 4.320 -0.000 0.000 0.296 172 A C -1.366 176.201 177.584 -0.029 0.000 1.488 172 A CA 0.426 52.447 52.037 -0.027 0.000 0.746 172 A CB -2.167 16.826 19.000 -0.012 0.000 1.047 172 A HN 0.580 nan 8.150 nan 0.000 0.477 173 P HA 0.416 nan 4.420 nan 0.000 0.271 173 P C -0.231 177.112 177.300 0.071 0.000 1.216 173 P CA 0.273 63.372 63.100 -0.001 0.000 0.776 173 P CB 0.770 32.466 31.700 -0.007 0.000 0.881 174 D N 1.086 121.576 120.400 0.150 0.000 2.466 174 D HA -0.012 4.628 4.640 -0.000 0.000 0.262 174 D C 1.225 177.609 176.300 0.140 0.000 1.177 174 D CA -0.882 53.206 54.000 0.147 0.000 1.035 174 D CB 0.105 41.016 40.800 0.184 0.000 1.105 174 D HN 0.083 nan 8.370 nan 0.000 0.551 175 V N 0.181 120.163 119.914 0.113 0.000 2.332 175 V HA -0.260 3.859 4.120 -0.000 0.000 0.248 175 V C 1.945 178.092 176.094 0.088 0.000 1.055 175 V CA 1.862 64.219 62.300 0.095 0.000 1.038 175 V CB -1.010 30.865 31.823 0.086 0.000 0.651 175 V HN 0.612 nan 8.190 nan 0.000 0.450 176 Y N 0.787 121.085 120.300 -0.003 0.000 2.114 176 Y HA -0.254 4.295 4.550 -0.000 0.000 0.284 176 Y C 2.622 178.472 175.900 -0.083 0.000 1.143 176 Y CA 2.357 60.411 58.100 -0.076 0.000 1.135 176 Y CB -0.779 37.576 38.460 -0.175 0.000 0.980 176 Y HN 0.492 nan 8.280 nan 0.000 0.499 177 H N -0.749 118.209 119.070 -0.187 0.000 2.387 177 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 177 H C 2.272 177.480 175.328 -0.201 0.000 1.099 177 H CA 1.793 57.692 56.048 -0.248 0.000 1.315 177 H CB -0.448 29.287 29.762 -0.044 0.000 1.380 177 H HN 0.379 nan 8.280 nan 0.000 0.513 178 L N 0.646 121.880 121.223 0.017 0.000 2.027 178 L HA -0.042 4.297 4.340 -0.000 0.000 0.206 178 L C 2.630 179.500 176.870 0.000 0.000 1.074 178 L CA 1.630 56.494 54.840 0.040 0.000 0.745 178 L CB -0.757 41.367 42.059 0.109 0.000 0.898 178 L HN 0.165 nan 8.230 nan 0.000 0.433 179 A N -0.566 122.226 122.820 -0.047 0.000 1.877 179 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 179 A C 2.173 179.692 177.584 -0.108 0.000 1.186 179 A CA 1.887 53.901 52.037 -0.040 0.000 0.620 179 A CB -0.996 17.994 19.000 -0.015 0.000 0.822 179 A HN 0.592 nan 8.150 nan 0.000 0.443 180 N N -0.484 118.043 118.700 -0.289 0.000 2.104 180 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 180 N C 1.814 177.241 175.510 -0.139 0.000 1.024 180 N CA 2.138 55.021 53.050 -0.278 0.000 0.853 180 N CB -0.351 37.793 38.487 -0.571 0.000 1.008 180 N HN 0.541 nan 8.380 nan 0.000 0.424 181 M N -0.248 119.280 119.600 -0.121 0.000 2.080 181 M HA -0.131 4.349 4.480 -0.000 0.000 0.260 181 M C 1.958 178.226 176.300 -0.053 0.000 1.068 181 M CA 1.947 57.206 55.300 -0.067 0.000 1.109 181 M CB -0.243 32.322 32.600 -0.059 0.000 1.342 181 M HN 0.276 nan 8.290 nan 0.000 0.405 182 A N 0.252 123.051 122.820 -0.035 0.000 1.902 182 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 182 A C 2.311 179.895 177.584 0.001 0.000 1.181 182 A CA 1.940 53.975 52.037 -0.003 0.000 0.623 182 A CB -1.181 17.867 19.000 0.081 0.000 0.818 182 A HN 0.695 nan 8.150 nan 0.000 0.443 183 A N -0.329 122.488 122.820 -0.005 0.000 1.930 183 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 183 A C 1.941 179.521 177.584 -0.007 0.000 1.175 183 A CA 1.536 53.573 52.037 -0.001 0.000 0.627 183 A CB -0.472 18.527 19.000 -0.002 0.000 0.815 183 A HN 0.623 nan 8.150 nan 0.000 0.443 184 E N -0.544 119.646 120.200 -0.017 0.000 2.077 184 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 184 E C 2.281 178.873 176.600 -0.013 0.000 0.989 184 E CA 1.210 57.603 56.400 -0.012 0.000 0.800 184 E CB -0.207 29.485 29.700 -0.013 0.000 0.746 184 E HN 0.595 nan 8.360 nan 0.000 0.452 185 S N 0.677 116.364 115.700 -0.021 0.000 2.368 185 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 185 S C 2.049 176.635 174.600 -0.023 0.000 1.030 185 S CA 0.940 59.125 58.200 -0.025 0.000 0.999 185 S CB -0.050 63.127 63.200 -0.038 0.000 0.844 185 S HN 0.095 nan 8.310 nan 0.000 0.459 186 R N 0.927 121.417 120.500 -0.017 0.000 2.080 186 R HA -0.059 4.281 4.340 -0.000 0.000 0.236 186 R C 2.181 178.470 176.300 -0.017 0.000 1.137 186 R CA 2.034 58.123 56.100 -0.018 0.000 0.943 186 R CB -1.247 29.050 30.300 -0.005 0.000 0.846 186 R HN 0.434 nan 8.270 nan 0.000 0.431 187 V N 0.337 120.246 119.914 -0.009 0.000 2.343 187 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 187 V C 2.516 178.606 176.094 -0.007 0.000 1.051 187 V CA 1.960 64.256 62.300 -0.006 0.000 1.036 187 V CB -1.130 30.693 31.823 0.000 0.000 0.654 187 V HN 0.597 nan 8.190 nan 0.000 0.451 188 G N 0.098 108.894 108.800 -0.007 0.000 2.442 188 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.219 188 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.219 188 G C 1.609 176.503 174.900 -0.010 0.000 1.141 188 G CA 1.020 46.117 45.100 -0.005 0.000 0.763 188 G HN 0.590 nan 8.290 nan 0.000 0.554 189 G N 0.827 109.615 108.800 -0.020 0.000 2.402 189 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.216 189 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.216 189 G C 1.802 176.686 174.900 -0.028 0.000 1.162 189 G CA 0.703 45.784 45.100 -0.031 0.000 0.777 189 G HN 0.426 nan 8.290 nan 0.000 0.539 190 L N -0.050 121.159 121.223 -0.024 0.000 2.046 190 L HA -0.033 4.306 4.340 -0.000 0.000 0.208 190 L C 2.909 179.771 176.870 -0.012 0.000 1.077 190 L CA 0.667 55.495 54.840 -0.020 0.000 0.747 190 L CB -0.421 41.629 42.059 -0.015 0.000 0.896 190 L HN 0.190 nan 8.230 nan 0.000 0.432 191 L N -0.614 120.605 121.223 -0.007 0.000 2.093 191 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 191 L C 2.275 179.146 176.870 0.001 0.000 1.085 191 L CA 1.322 56.161 54.840 -0.001 0.000 0.755 191 L CB -0.800 41.260 42.059 0.002 0.000 0.904 191 L HN 0.319 nan 8.230 nan 0.000 0.435 192 G N -1.599 107.202 108.800 0.001 0.000 3.088 192 G HA2 0.291 4.250 3.960 -0.000 0.000 0.217 192 G HA3 0.291 4.250 3.960 -0.000 0.000 0.217 192 G C 1.094 175.999 174.900 0.008 0.000 1.159 192 G CA 0.369 45.474 45.100 0.009 0.000 0.760 192 G HN 0.462 nan 8.290 nan 0.000 0.550 193 G N 0.501 109.298 108.800 -0.005 0.000 2.246 193 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.273 193 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.273 193 G C 0.177 175.063 174.900 -0.023 0.000 1.055 193 G CA 0.214 45.307 45.100 -0.011 0.000 0.851 193 G HN 0.445 nan 8.290 nan 0.000 0.500 194 K N -0.558 119.821 120.400 -0.035 0.000 2.238 194 K HA 0.518 4.838 4.320 -0.000 0.000 0.239 194 K C -1.378 175.163 176.600 -0.098 0.000 0.987 194 K CA -1.938 54.311 56.287 -0.062 0.000 0.857 194 K CB 1.987 34.465 32.500 -0.036 0.000 1.154 194 K HN -0.008 nan 8.250 nan 0.000 0.439 195 P HA -0.111 nan 4.420 nan 0.000 0.222 195 P C 0.527 177.733 177.300 -0.158 0.000 1.147 195 P CA 1.047 64.031 63.100 -0.192 0.000 0.790 195 P CB 0.153 31.680 31.700 -0.288 0.000 0.780 196 G N 0.578 109.310 108.800 -0.113 0.000 2.314 196 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.292 196 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.292 196 G C 0.177 175.031 174.900 -0.076 0.000 1.059 196 G CA 0.177 45.231 45.100 -0.077 0.000 0.982 196 G HN 0.552 nan 8.290 nan 0.000 0.505 197 V N -2.910 116.951 119.914 -0.088 0.000 3.134 197 V HA 0.945 5.064 4.120 -0.000 0.000 0.313 197 V C 0.449 176.535 176.094 -0.014 0.000 1.069 197 V CA -0.196 62.080 62.300 -0.040 0.000 1.048 197 V CB 1.985 33.788 31.823 -0.033 0.000 1.119 197 V HN 0.463 nan 8.190 nan 0.000 0.461 198 T N 2.073 116.639 114.554 0.019 0.000 2.847 198 T HA 0.554 4.904 4.350 -0.000 0.000 0.291 198 T C -0.552 174.042 174.700 -0.176 0.000 0.998 198 T CA -0.280 61.722 62.100 -0.164 0.000 0.967 198 T CB 1.233 69.945 68.868 -0.260 0.000 0.954 198 T HN 0.690 nan 8.240 nan 0.000 0.441 199 V N 4.560 124.344 119.914 -0.216 0.000 2.407 199 V HA 0.484 4.604 4.120 -0.000 0.000 0.278 199 V C -0.738 175.214 176.094 -0.236 0.000 1.037 199 V CA -0.722 61.532 62.300 -0.076 0.000 0.900 199 V CB 0.488 32.313 31.823 0.003 0.000 0.983 199 V HN 0.767 nan 8.190 nan 0.000 0.459 200 F N 3.454 123.390 119.950 -0.024 0.000 2.361 200 F HA 0.371 4.898 4.527 -0.000 0.000 0.364 200 F C 0.432 176.208 175.800 -0.040 0.000 1.117 200 F CA -0.740 57.229 58.000 -0.051 0.000 1.071 200 F CB 0.535 39.458 39.000 -0.128 0.000 1.188 200 F HN 0.612 nan 8.300 nan 0.000 0.464 201 H N 4.382 123.486 119.070 0.057 0.000 2.899 201 H HA 0.284 4.840 4.556 -0.000 0.000 0.303 201 H C -0.491 174.836 175.328 -0.001 0.000 1.042 201 H CA -0.394 55.695 56.048 0.068 0.000 1.479 201 H CB 0.510 30.175 29.762 -0.162 0.000 1.493 201 H HN 0.357 nan 8.280 nan 0.000 0.534 202 M N 4.694 124.032 119.600 -0.435 0.000 2.277 202 M HA 0.318 4.798 4.480 -0.000 0.000 0.350 202 M C 0.930 176.926 176.300 -0.507 0.000 1.180 202 M CA -0.239 54.849 55.300 -0.354 0.000 1.103 202 M CB 1.352 33.834 32.600 -0.198 0.000 1.577 202 M HN 0.860 nan 8.290 nan 0.000 0.459 203 G N 1.027 109.668 108.800 -0.264 0.000 2.990 203 G HA2 0.426 4.386 3.960 -0.000 0.000 0.208 203 G HA3 0.426 4.386 3.960 -0.000 0.000 0.208 203 G C -0.318 174.542 174.900 -0.066 0.000 1.334 203 G CA -0.380 44.631 45.100 -0.149 0.000 1.024 203 G HN 0.634 nan 8.290 nan 0.000 0.574 204 D N 0.021 120.424 120.400 0.005 0.000 2.388 204 D HA 0.163 4.803 4.640 -0.000 0.000 0.221 204 D C 1.063 177.377 176.300 0.024 0.000 1.133 204 D CA 0.049 54.061 54.000 0.020 0.000 0.831 204 D CB 0.640 41.468 40.800 0.046 0.000 0.962 204 D HN 0.192 nan 8.370 nan 0.000 0.502 205 S N 0.442 116.152 115.700 0.017 0.000 2.573 205 S HA 0.007 4.477 4.470 -0.000 0.000 0.277 205 S C 1.409 176.014 174.600 0.008 0.000 1.346 205 S CA -0.106 58.105 58.200 0.018 0.000 1.034 205 S CB 1.165 64.373 63.200 0.012 0.000 0.879 205 S HN 0.006 nan 8.310 nan 0.000 0.528 206 K N 2.269 122.676 120.400 0.012 0.000 2.283 206 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 206 K C 1.790 178.393 176.600 0.006 0.000 1.048 206 K CA 0.963 57.255 56.287 0.010 0.000 0.948 206 K CB -0.040 32.466 32.500 0.011 0.000 0.742 206 K HN 0.570 nan 8.250 nan 0.000 0.458 207 K N 0.651 121.054 120.400 0.004 0.000 2.283 207 K HA -0.042 4.277 4.320 -0.000 0.000 0.202 207 K C 1.296 177.891 176.600 -0.008 0.000 1.048 207 K CA 0.561 56.850 56.287 0.003 0.000 0.948 207 K CB -0.166 32.336 32.500 0.003 0.000 0.742 207 K HN 0.171 nan 8.250 nan 0.000 0.458 208 A N 1.476 124.282 122.820 -0.023 0.000 5.264 208 A HA -0.321 3.998 4.320 -0.000 0.000 0.342 208 A C 1.205 178.729 177.584 -0.100 0.000 1.706 208 A CA 1.848 53.854 52.037 -0.052 0.000 0.706 208 A CB -1.514 17.468 19.000 -0.030 0.000 1.455 208 A HN 0.263 nan 8.150 nan 0.000 0.402 209 L N 0.022 121.176 121.223 -0.115 0.000 2.599 209 L HA -0.035 4.305 4.340 -0.000 0.000 0.230 209 L C 2.359 179.133 176.870 -0.161 0.000 1.141 209 L CA 1.101 55.791 54.840 -0.249 0.000 0.877 209 L CB -0.381 41.463 42.059 -0.358 0.000 1.009 209 L HN 0.778 nan 8.230 nan 0.000 0.447 210 Q N 1.444 121.248 119.800 0.007 0.000 2.133 210 Q HA -0.188 4.151 4.340 -0.000 0.000 0.208 210 Q C -0.612 175.396 176.000 0.015 0.000 0.991 210 Q CA 2.243 58.101 55.803 0.092 0.000 0.867 210 Q CB -1.130 27.643 28.738 0.059 0.000 0.911 210 Q HN 0.250 nan 8.270 nan 0.000 0.417 211 P HA -0.131 nan 4.420 nan 0.000 0.216 211 P C 0.901 178.114 177.300 -0.145 0.000 1.150 211 P CA 1.278 64.337 63.100 -0.068 0.000 0.837 211 P CB -0.095 31.566 31.700 -0.064 0.000 0.786 212 I N -2.626 117.732 120.570 -0.353 0.000 2.252 212 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 212 I C 2.096 178.045 176.117 -0.281 0.000 1.102 212 I CA 1.548 62.535 61.300 -0.523 0.000 1.385 212 I CB -0.619 36.815 38.000 -0.944 0.000 1.064 212 I HN -0.019 nan 8.210 nan 0.000 0.414 213 Y N 0.850 121.096 120.300 -0.090 0.000 2.314 213 Y HA -0.216 4.333 4.550 -0.000 0.000 0.293 213 Y C 2.319 178.214 175.900 -0.008 0.000 1.129 213 Y CA 0.700 58.791 58.100 -0.015 0.000 1.201 213 Y CB -0.196 38.260 38.460 -0.007 0.000 0.999 213 Y HN 0.170 nan 8.280 nan 0.000 0.541 214 D N 0.304 120.778 120.400 0.124 0.000 2.117 214 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 214 D C 2.131 178.472 176.300 0.068 0.000 0.987 214 D CA 0.925 54.975 54.000 0.083 0.000 0.829 214 D CB -0.480 40.355 40.800 0.058 0.000 0.961 214 D HN 0.309 nan 8.370 nan 0.000 0.460 215 L N 0.219 121.469 121.223 0.043 0.000 2.017 215 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 215 L C 2.164 179.073 176.870 0.064 0.000 1.073 215 L CA 1.091 55.961 54.840 0.050 0.000 0.745 215 L CB -0.141 41.944 42.059 0.043 0.000 0.894 215 L HN 0.010 nan 8.230 nan 0.000 0.432 216 L N -0.326 120.940 121.223 0.073 0.000 2.265 216 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 216 L C 2.301 179.221 176.870 0.084 0.000 1.117 216 L CA 0.851 55.745 54.840 0.091 0.000 0.782 216 L CB -0.333 41.805 42.059 0.132 0.000 0.914 216 L HN 0.328 nan 8.230 nan 0.000 0.441 217 E N 0.161 120.412 120.200 0.085 0.000 2.435 217 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 217 E C 0.902 177.536 176.600 0.057 0.000 1.029 217 E CA 0.589 57.029 56.400 0.067 0.000 0.865 217 E CB 0.164 29.904 29.700 0.066 0.000 0.833 217 E HN 0.368 nan 8.360 nan 0.000 0.510 218 N N -1.222 117.515 118.700 0.062 0.000 2.177 218 N HA 0.184 4.924 4.740 -0.000 0.000 0.218 218 N C -0.911 174.637 175.510 0.063 0.000 1.182 218 N CA 0.347 53.435 53.050 0.063 0.000 0.882 218 N CB 0.780 39.312 38.487 0.075 0.000 1.052 218 N HN 0.275 nan 8.380 nan 0.000 0.519 219 C N -2.722 116.612 119.300 0.056 0.000 3.293 219 C HA 0.533 4.993 4.460 -0.000 0.000 0.362 219 C C -1.051 173.967 174.990 0.046 0.000 1.539 219 C CA -0.972 58.077 59.018 0.051 0.000 1.201 219 C CB 1.057 28.826 27.740 0.048 0.000 1.770 219 C HN 0.103 nan 8.230 nan 0.000 0.440 220 D N 0.392 120.816 120.400 0.040 0.000 2.696 220 D HA 0.346 4.985 4.640 -0.000 0.000 0.269 220 D C -0.144 176.177 176.300 0.034 0.000 1.319 220 D CA -0.063 53.958 54.000 0.035 0.000 0.826 220 D CB 0.961 41.777 40.800 0.027 0.000 1.086 220 D HN 0.532 nan 8.370 nan 0.000 0.481 221 V N 2.249 122.189 119.914 0.044 0.000 2.521 221 V HA 0.148 4.267 4.120 -0.000 0.000 0.286 221 V C -1.783 174.342 176.094 0.051 0.000 1.034 221 V CA -1.288 61.040 62.300 0.046 0.000 1.045 221 V CB 0.473 32.335 31.823 0.065 0.000 0.974 221 V HN 0.069 nan 8.190 nan 0.000 0.480 222 P HA 0.099 nan 4.420 nan 0.000 0.266 222 P C 1.041 178.375 177.300 0.057 0.000 1.195 222 P CA 0.044 63.162 63.100 0.031 0.000 0.768 222 P CB 0.570 32.277 31.700 0.010 0.000 0.838 223 I N 2.366 122.961 120.570 0.041 0.000 2.567 223 I HA -0.241 3.929 4.170 -0.000 0.000 0.257 223 I C 1.543 177.714 176.117 0.090 0.000 1.184 223 I CA 1.585 62.915 61.300 0.049 0.000 1.451 223 I CB -0.023 37.933 38.000 -0.074 0.000 1.089 223 I HN 0.337 nan 8.210 nan 0.000 0.441 224 S N -0.137 115.602 115.700 0.065 0.000 2.603 224 S HA -0.007 4.463 4.470 -0.000 0.000 0.229 224 S C 1.516 176.199 174.600 0.139 0.000 0.972 224 S CA 0.226 58.494 58.200 0.114 0.000 0.935 224 S CB -0.164 63.056 63.200 0.033 0.000 0.769 224 S HN 0.383 nan 8.310 nan 0.000 0.536 225 K N 0.165 120.647 120.400 0.138 0.000 2.360 225 K HA 0.344 4.664 4.320 -0.000 0.000 0.196 225 K C -0.578 176.201 176.600 0.299 0.000 1.049 225 K CA -0.048 56.299 56.287 0.099 0.000 1.049 225 K CB 0.092 32.616 32.500 0.039 0.000 0.881 225 K HN 0.319 nan 8.250 nan 0.000 0.542 226 L N 1.950 123.411 121.223 0.396 0.000 2.259 226 L HA 0.293 4.632 4.340 -0.000 0.000 0.288 226 L C -0.448 176.710 176.870 0.480 0.000 1.051 226 L CA -0.618 54.523 54.840 0.501 0.000 0.824 226 L CB 0.434 42.722 42.059 0.382 0.000 1.206 226 L HN -0.076 nan 8.230 nan 0.000 0.429 227 L N 7.832 129.330 121.223 0.457 0.000 2.301 227 L HA 0.617 4.957 4.340 -0.000 0.000 0.278 227 L C -2.312 174.634 176.870 0.127 0.000 1.022 227 L CA -1.466 53.486 54.840 0.187 0.000 0.854 227 L CB 1.260 43.350 42.059 0.052 0.000 1.226 227 L HN 0.323 nan 8.230 nan 0.000 0.429 228 P HA 0.198 nan 4.420 nan 0.000 0.280 228 P C -0.768 176.450 177.300 -0.136 0.000 1.244 228 P CA -0.146 62.854 63.100 -0.167 0.000 0.784 228 P CB 1.580 33.003 31.700 -0.462 0.000 0.913 229 T N 1.507 115.984 114.554 -0.128 0.000 2.926 229 T HA 0.353 4.703 4.350 -0.000 0.000 0.289 229 T C 0.187 174.725 174.700 -0.270 0.000 1.054 229 T CA -0.141 61.805 62.100 -0.257 0.000 1.015 229 T CB 0.206 68.862 68.868 -0.354 0.000 1.167 229 T HN 0.530 nan 8.240 nan 0.000 0.526 230 H N -0.023 118.973 119.070 -0.123 0.000 2.958 230 H HA -0.140 4.416 4.556 -0.000 0.000 0.274 230 H C 1.476 176.752 175.328 -0.086 0.000 1.184 230 H CA 0.925 56.896 56.048 -0.127 0.000 1.143 230 H CB -2.350 27.300 29.762 -0.187 0.000 1.297 230 H HN 0.521 nan 8.280 nan 0.000 0.356 231 V N -0.531 119.397 119.914 0.024 0.000 2.828 231 V HA -0.239 3.881 4.120 -0.000 0.000 0.260 231 V C 1.714 177.933 176.094 0.209 0.000 1.101 231 V CA 2.186 64.529 62.300 0.072 0.000 1.123 231 V CB -0.567 31.282 31.823 0.043 0.000 0.704 231 V HN 0.661 nan 8.190 nan 0.000 0.493 232 N N 1.290 120.081 118.700 0.151 0.000 2.383 232 N HA -0.034 4.706 4.740 -0.000 0.000 0.192 232 N C 1.703 177.200 175.510 -0.022 0.000 1.141 232 N CA 0.349 53.415 53.050 0.027 0.000 0.851 232 N CB -0.375 38.033 38.487 -0.131 0.000 0.976 232 N HN 0.684 nan 8.380 nan 0.000 0.465 233 R N 0.862 121.371 120.500 0.015 0.000 2.152 233 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 233 R C 0.034 176.329 176.300 -0.008 0.000 1.117 233 R CA 1.041 57.135 56.100 -0.011 0.000 0.981 233 R CB -0.606 29.680 30.300 -0.023 0.000 0.870 233 R HN 0.456 nan 8.270 nan 0.000 0.451 234 N N -1.267 117.442 118.700 0.015 0.000 2.405 234 N HA 0.054 4.794 4.740 -0.000 0.000 0.274 234 N C 0.235 175.781 175.510 0.060 0.000 1.170 234 N CA -0.517 52.545 53.050 0.020 0.000 0.848 234 N CB 2.064 40.562 38.487 0.017 0.000 1.629 234 N HN -0.178 nan 8.380 nan 0.000 0.481 235 V N 1.205 121.150 119.914 0.051 0.000 2.287 235 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 235 V C -0.802 175.366 176.094 0.124 0.000 1.053 235 V CA 1.824 64.181 62.300 0.096 0.000 1.027 235 V CB -1.520 30.338 31.823 0.059 0.000 0.646 235 V HN 0.646 nan 8.190 nan 0.000 0.447 236 P HA -0.174 nan 4.420 nan 0.000 0.215 236 P C 2.047 179.381 177.300 0.058 0.000 1.153 236 P CA 1.458 64.593 63.100 0.058 0.000 0.853 236 P CB -0.042 31.679 31.700 0.035 0.000 0.788 237 L N -2.176 119.082 121.223 0.058 0.000 2.056 237 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 237 L C 2.270 179.174 176.870 0.057 0.000 1.078 237 L CA 1.515 56.374 54.840 0.033 0.000 0.749 237 L CB -0.616 41.453 42.059 0.017 0.000 0.901 237 L HN -0.071 nan 8.230 nan 0.000 0.433 238 F N 1.103 121.039 119.950 -0.024 0.000 2.134 238 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 238 F C 2.515 178.316 175.800 0.002 0.000 1.097 238 F CA 1.614 59.603 58.000 -0.017 0.000 1.264 238 F CB -0.135 38.856 39.000 -0.015 0.000 1.001 238 F HN 0.104 nan 8.300 nan 0.000 0.479 239 E N 0.228 120.439 120.200 0.018 0.000 2.110 239 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 239 E C 2.191 178.741 176.600 -0.083 0.000 0.988 239 E CA 1.362 57.732 56.400 -0.049 0.000 0.804 239 E CB -0.563 29.161 29.700 0.041 0.000 0.745 239 E HN 0.629 nan 8.360 nan 0.000 0.458 240 Q N 0.063 119.840 119.800 -0.039 0.000 2.119 240 Q HA -0.057 4.283 4.340 -0.000 0.000 0.201 240 Q C 2.189 178.184 176.000 -0.009 0.000 0.972 240 Q CA 1.213 57.020 55.803 0.007 0.000 0.847 240 Q CB -0.138 28.616 28.738 0.027 0.000 0.903 240 Q HN 0.222 nan 8.270 nan 0.000 0.433 241 A N 1.106 123.853 122.820 -0.122 0.000 1.902 241 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 241 A C 2.078 179.590 177.584 -0.118 0.000 1.181 241 A CA 1.109 53.065 52.037 -0.136 0.000 0.623 241 A CB -0.732 18.125 19.000 -0.238 0.000 0.818 241 A HN 0.285 nan 8.150 nan 0.000 0.443 242 L N -0.855 120.190 121.223 -0.296 0.000 2.042 242 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 242 L C 2.691 179.518 176.870 -0.072 0.000 1.076 242 L CA 1.971 56.673 54.840 -0.231 0.000 0.749 242 L CB -0.598 41.290 42.059 -0.285 0.000 0.893 242 L HN 0.633 nan 8.230 nan 0.000 0.432 243 E N 0.116 120.304 120.200 -0.020 0.000 2.110 243 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 243 E C 2.158 178.825 176.600 0.111 0.000 0.988 243 E CA 1.187 57.611 56.400 0.039 0.000 0.804 243 E CB -0.100 29.635 29.700 0.058 0.000 0.745 243 E HN 0.383 nan 8.360 nan 0.000 0.458 244 F N 1.026 120.982 119.950 0.009 0.000 2.146 244 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 244 F C 2.062 177.845 175.800 -0.028 0.000 1.096 244 F CA 1.548 59.559 58.000 0.018 0.000 1.275 244 F CB -0.471 38.470 39.000 -0.098 0.000 1.008 244 F HN 0.082 nan 8.300 nan 0.000 0.480 245 A N 0.366 123.176 122.820 -0.016 0.000 1.969 245 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 245 A C 2.351 179.855 177.584 -0.134 0.000 1.169 245 A CA 1.537 53.507 52.037 -0.113 0.000 0.635 245 A CB -0.824 18.153 19.000 -0.039 0.000 0.810 245 A HN 0.470 nan 8.150 nan 0.000 0.445 246 R N -0.000 120.447 120.500 -0.089 0.000 2.115 246 R HA -0.046 4.294 4.340 -0.000 0.000 0.230 246 R C 1.434 177.679 176.300 -0.091 0.000 1.111 246 R CA 1.409 57.467 56.100 -0.071 0.000 0.976 246 R CB -0.142 30.132 30.300 -0.043 0.000 0.870 246 R HN 0.448 nan 8.270 nan 0.000 0.445 247 K N -1.166 119.158 120.400 -0.128 0.000 2.525 247 K HA 0.076 4.396 4.320 -0.000 0.000 0.192 247 K C 0.684 177.173 176.600 -0.185 0.000 1.029 247 K CA 0.630 56.839 56.287 -0.131 0.000 1.029 247 K CB 0.689 33.134 32.500 -0.091 0.000 0.814 247 K HN 0.479 nan 8.250 nan 0.000 0.503 248 G N 0.514 109.180 108.800 -0.223 0.000 2.229 248 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.189 248 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.189 248 G C 0.373 175.114 174.900 -0.265 0.000 1.000 248 G CA -0.427 44.558 45.100 -0.192 0.000 0.663 248 G HN 0.459 nan 8.290 nan 0.000 0.493 249 G N -0.513 107.956 108.800 -0.551 0.000 2.562 249 G HA2 0.568 4.528 3.960 -0.000 0.000 0.275 249 G HA3 0.568 4.528 3.960 -0.000 0.000 0.275 249 G C -0.275 174.515 174.900 -0.184 0.000 1.196 249 G CA 0.586 45.316 45.100 -0.618 0.000 0.908 249 G HN 0.489 nan 8.290 nan 0.000 0.524 250 T N 0.488 115.072 114.554 0.049 0.000 2.829 250 T HA 0.522 4.872 4.350 -0.000 0.000 0.280 250 T C 0.099 174.791 174.700 -0.013 0.000 0.999 250 T CA -0.148 61.937 62.100 -0.024 0.000 0.983 250 T CB 1.115 69.892 68.868 -0.152 0.000 0.968 250 T HN 0.585 nan 8.240 nan 0.000 0.446 251 I N -0.239 120.296 120.570 -0.059 0.000 2.603 251 I HA 0.792 4.962 4.170 -0.000 0.000 0.300 251 I C -1.126 174.908 176.117 -0.139 0.000 1.017 251 I CA -1.003 60.254 61.300 -0.072 0.000 1.098 251 I CB 2.122 40.105 38.000 -0.028 0.000 1.279 251 I HN 0.351 nan 8.210 nan 0.000 0.437 252 D N 5.490 125.800 120.400 -0.149 0.000 2.381 252 D HA 0.531 5.171 4.640 -0.000 0.000 0.235 252 D C -0.764 175.471 176.300 -0.109 0.000 1.068 252 D CA -0.300 53.611 54.000 -0.148 0.000 0.832 252 D CB 1.366 42.061 40.800 -0.174 0.000 1.101 252 D HN 0.532 nan 8.370 nan 0.000 0.515 253 I N 2.640 123.167 120.570 -0.071 0.000 2.385 253 I HA 0.233 4.403 4.170 -0.000 0.000 0.294 253 I C 0.374 176.446 176.117 -0.075 0.000 0.988 253 I CA -0.485 60.793 61.300 -0.036 0.000 1.265 253 I CB 1.767 39.761 38.000 -0.009 0.000 1.388 253 I HN 0.248 nan 8.210 nan 0.000 0.480 254 T N 3.543 118.066 114.554 -0.052 0.000 2.767 254 T HA 0.087 4.437 4.350 -0.000 0.000 0.288 254 T C 1.106 175.782 174.700 -0.039 0.000 0.963 254 T CA -0.565 61.511 62.100 -0.039 0.000 1.019 254 T CB 1.265 70.183 68.868 0.084 0.000 0.923 254 T HN 0.799 nan 8.240 nan 0.000 0.468 255 S N 1.676 117.347 115.700 -0.049 0.000 2.515 255 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 255 S C 1.935 176.508 174.600 -0.046 0.000 0.987 255 S CA 0.605 58.770 58.200 -0.059 0.000 0.936 255 S CB -0.315 62.847 63.200 -0.063 0.000 0.766 255 S HN 0.674 nan 8.310 nan 0.000 0.528 256 S N 0.625 116.306 115.700 -0.032 0.000 2.593 256 S HA 0.359 4.829 4.470 -0.000 0.000 0.217 256 S C 0.334 174.914 174.600 -0.033 0.000 0.966 256 S CA -0.556 57.623 58.200 -0.036 0.000 0.914 256 S CB -0.662 62.517 63.200 -0.035 0.000 0.776 256 S HN 0.558 nan 8.310 nan 0.000 0.523 257 I N 2.195 122.746 120.570 -0.033 0.000 2.354 257 I HA 0.351 4.521 4.170 -0.000 0.000 0.286 257 I C -0.296 175.789 176.117 -0.053 0.000 1.007 257 I CA -0.514 60.763 61.300 -0.039 0.000 1.167 257 I CB 1.637 39.619 38.000 -0.030 0.000 1.320 257 I HN -0.033 nan 8.210 nan 0.000 0.458 258 D N 4.306 124.678 120.400 -0.048 0.000 2.349 258 D HA 0.101 4.741 4.640 -0.000 0.000 0.214 258 D C 0.323 176.592 176.300 -0.052 0.000 1.063 258 D CA 0.666 54.636 54.000 -0.049 0.000 0.847 258 D CB 0.656 41.434 40.800 -0.035 0.000 0.933 258 D HN 0.571 nan 8.370 nan 0.000 0.513 259 E N 0.009 120.176 120.200 -0.054 0.000 2.372 259 E HA 0.168 4.518 4.350 -0.000 0.000 0.279 259 E C -2.224 174.344 176.600 -0.055 0.000 0.946 259 E CA -1.404 54.965 56.400 -0.053 0.000 0.769 259 E CB 2.427 32.105 29.700 -0.036 0.000 1.230 259 E HN -0.256 nan 8.360 nan 0.000 0.442 260 P HA 0.061 nan 4.420 nan 0.000 0.231 260 P C 0.003 177.239 177.300 -0.107 0.000 1.168 260 P CA 0.266 63.328 63.100 -0.064 0.000 0.779 260 P CB 0.468 32.141 31.700 -0.046 0.000 0.844 261 V N 1.059 120.877 119.914 -0.161 0.000 2.325 261 V HA 0.499 4.619 4.120 -0.000 0.000 0.280 261 V C 0.572 176.529 176.094 -0.228 0.000 1.016 261 V CA -1.291 60.846 62.300 -0.272 0.000 0.818 261 V CB 0.816 32.306 31.823 -0.555 0.000 1.019 261 V HN 0.114 nan 8.190 nan 0.000 0.434 262 A N 8.194 130.917 122.820 -0.161 0.000 2.448 262 A HA 0.439 4.758 4.320 -0.000 0.000 0.239 262 A C -0.651 176.829 177.584 -0.174 0.000 1.080 262 A CA -0.600 51.362 52.037 -0.125 0.000 0.779 262 A CB -0.000 18.962 19.000 -0.064 0.000 1.026 262 A HN 0.623 nan 8.150 nan 0.000 0.499 263 P HA -0.205 nan 4.420 nan 0.000 0.215 263 P C 1.471 178.621 177.300 -0.250 0.000 1.157 263 P CA 2.306 65.302 63.100 -0.172 0.000 0.868 263 P CB -0.037 31.580 31.700 -0.138 0.000 0.788 264 A N 0.262 122.906 122.820 -0.293 0.000 1.933 264 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 264 A C 2.400 179.553 177.584 -0.718 0.000 1.175 264 A CA 2.044 53.765 52.037 -0.528 0.000 0.628 264 A CB -1.461 17.256 19.000 -0.471 0.000 0.814 264 A HN 0.253 nan 8.150 nan 0.000 0.444 265 E N -0.343 119.594 120.200 -0.439 0.000 2.077 265 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 265 E C 1.988 178.445 176.600 -0.238 0.000 0.989 265 E CA 1.420 57.660 56.400 -0.266 0.000 0.800 265 E CB -0.564 29.094 29.700 -0.070 0.000 0.746 265 E HN 0.442 nan 8.360 nan 0.000 0.452 266 G N 0.791 109.420 108.800 -0.285 0.000 2.418 266 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 266 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 266 G C 1.606 176.557 174.900 0.085 0.000 1.158 266 G CA 0.950 45.934 45.100 -0.193 0.000 0.771 266 G HN 0.292 nan 8.290 nan 0.000 0.545 267 I N 1.272 121.782 120.570 -0.100 0.000 2.252 267 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 267 I C 3.272 179.417 176.117 0.048 0.000 1.102 267 I CA 0.882 62.131 61.300 -0.084 0.000 1.385 267 I CB -0.210 37.603 38.000 -0.311 0.000 1.064 267 I HN 0.244 nan 8.210 nan 0.000 0.414 268 A N 1.017 123.804 122.820 -0.055 0.000 1.877 268 A HA -0.198 4.121 4.320 -0.000 0.000 0.216 268 A C 2.395 180.117 177.584 0.230 0.000 1.186 268 A CA 1.462 53.639 52.037 0.233 0.000 0.620 268 A CB -0.563 18.493 19.000 0.093 0.000 0.822 268 A HN 0.291 nan 8.150 nan 0.000 0.443 269 R N -0.480 120.135 120.500 0.192 0.000 2.096 269 R HA -0.093 4.246 4.340 -0.000 0.000 0.235 269 R C 2.466 178.894 176.300 0.213 0.000 1.127 269 R CA 1.192 57.437 56.100 0.241 0.000 0.968 269 R CB -0.488 30.037 30.300 0.376 0.000 0.861 269 R HN 0.527 nan 8.270 nan 0.000 0.440 270 A N 0.609 123.561 122.820 0.219 0.000 1.883 270 A HA -0.146 4.173 4.320 -0.000 0.000 0.217 270 A C 2.343 179.984 177.584 0.094 0.000 1.186 270 A CA 1.645 53.751 52.037 0.114 0.000 0.624 270 A CB -0.625 18.437 19.000 0.103 0.000 0.822 270 A HN 0.131 nan 8.150 nan 0.000 0.444 271 V N -0.156 119.841 119.914 0.139 0.000 2.343 271 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 271 V C 2.622 178.747 176.094 0.051 0.000 1.051 271 V CA 2.259 64.611 62.300 0.087 0.000 1.036 271 V CB -1.009 30.865 31.823 0.085 0.000 0.654 271 V HN 0.646 nan 8.190 nan 0.000 0.451 272 Q N 0.072 119.921 119.800 0.081 0.000 2.135 272 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 272 Q C 2.220 178.247 176.000 0.045 0.000 0.981 272 Q CA 1.823 57.664 55.803 0.064 0.000 0.856 272 Q CB -0.418 28.377 28.738 0.095 0.000 0.902 272 Q HN 0.674 nan 8.270 nan 0.000 0.425 273 A N -0.148 122.701 122.820 0.048 0.000 2.235 273 A HA 0.224 4.544 4.320 -0.000 0.000 0.208 273 A C 1.457 179.046 177.584 0.008 0.000 1.172 273 A CA 0.850 52.901 52.037 0.024 0.000 0.786 273 A CB -0.381 18.624 19.000 0.009 0.000 0.804 273 A HN 0.487 nan 8.150 nan 0.000 0.479 274 G N -1.032 107.774 108.800 0.011 0.000 2.132 274 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.228 274 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.228 274 G C -0.110 174.788 174.900 -0.003 0.000 1.000 274 G CA 0.061 45.161 45.100 0.000 0.000 0.693 274 G HN 0.305 nan 8.290 nan 0.000 0.515 275 I N 1.188 121.760 120.570 0.003 0.000 2.371 275 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 275 I C -1.692 174.432 176.117 0.011 0.000 1.028 275 I CA -2.974 58.325 61.300 -0.001 0.000 1.345 275 I CB 0.495 38.491 38.000 -0.006 0.000 1.407 275 I HN -0.126 nan 8.210 nan 0.000 0.501 276 P HA 0.171 nan 4.420 nan 0.000 0.268 276 P C 1.112 178.429 177.300 0.028 0.000 1.205 276 P CA -0.272 62.837 63.100 0.015 0.000 0.771 276 P CB 0.798 32.503 31.700 0.009 0.000 0.858 277 L N 1.937 123.187 121.223 0.045 0.000 2.265 277 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 277 L C 2.192 179.088 176.870 0.043 0.000 1.117 277 L CA 1.434 56.311 54.840 0.061 0.000 0.782 277 L CB -0.685 41.428 42.059 0.090 0.000 0.914 277 L HN 0.464 nan 8.230 nan 0.000 0.441 278 A N -0.050 122.794 122.820 0.039 0.000 2.019 278 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 278 A C 2.076 179.684 177.584 0.040 0.000 1.164 278 A CA 1.188 53.251 52.037 0.043 0.000 0.644 278 A CB -0.299 18.726 19.000 0.041 0.000 0.805 278 A HN 0.373 nan 8.150 nan 0.000 0.449 279 R N -0.727 119.785 120.500 0.020 0.000 2.515 279 R HA 0.275 4.615 4.340 -0.000 0.000 0.294 279 R C -1.039 175.243 176.300 -0.030 0.000 1.021 279 R CA 0.052 56.152 56.100 0.001 0.000 1.081 279 R CB 0.448 30.742 30.300 -0.010 0.000 1.263 279 R HN 0.255 nan 8.270 nan 0.000 0.557 280 V N 1.295 121.197 119.914 -0.021 0.000 2.443 280 V HA 0.257 4.377 4.120 -0.000 0.000 0.293 280 V C 0.125 176.190 176.094 -0.048 0.000 1.021 280 V CA -0.711 61.570 62.300 -0.032 0.000 0.848 280 V CB 1.872 33.697 31.823 0.004 0.000 0.998 280 V HN 0.251 nan 8.190 nan 0.000 0.424 281 T N 2.656 117.158 114.554 -0.086 0.000 2.930 281 T HA 0.865 5.215 4.350 -0.000 0.000 0.290 281 T C -1.099 173.549 174.700 -0.085 0.000 1.052 281 T CA -0.837 61.213 62.100 -0.084 0.000 1.017 281 T CB 2.167 70.966 68.868 -0.116 0.000 1.137 281 T HN 0.437 nan 8.240 nan 0.000 0.511 282 L N 2.186 123.361 121.223 -0.080 0.000 2.409 282 L HA 0.749 5.089 4.340 -0.000 0.000 0.272 282 L C -0.373 176.464 176.870 -0.055 0.000 0.980 282 L CA -0.070 54.717 54.840 -0.088 0.000 0.826 282 L CB 1.955 43.937 42.059 -0.129 0.000 1.268 282 L HN 1.124 nan 8.230 nan 0.000 0.407 283 S N 1.408 117.084 115.700 -0.041 0.000 2.634 283 S HA 0.611 5.081 4.470 -0.000 0.000 0.296 283 S C 0.538 175.152 174.600 0.024 0.000 1.104 283 S CA 0.039 58.254 58.200 0.024 0.000 0.920 283 S CB 1.581 64.819 63.200 0.064 0.000 1.111 283 S HN 0.741 nan 8.310 nan 0.000 0.493 284 S N -0.305 115.455 115.700 0.100 0.000 2.483 284 S HA 0.121 4.591 4.470 -0.000 0.000 0.221 284 S C 0.492 175.120 174.600 0.047 0.000 1.030 284 S CA 0.912 59.148 58.200 0.061 0.000 0.925 284 S CB -0.767 62.493 63.200 0.100 0.000 0.795 284 S HN 1.027 nan 8.310 nan 0.000 0.511 285 D N 1.427 121.921 120.400 0.157 0.000 2.800 285 D HA -0.094 4.545 4.640 -0.000 0.000 0.232 285 D C 0.293 176.706 176.300 0.189 0.000 1.137 285 D CA 0.906 55.084 54.000 0.297 0.000 0.718 285 D CB -1.634 39.298 40.800 0.221 0.000 1.084 285 D HN 0.692 nan 8.370 nan 0.000 0.432 286 G N 0.626 109.443 108.800 0.029 0.000 2.414 286 G HA2 0.253 4.213 3.960 -0.000 0.000 0.236 286 G HA3 0.253 4.213 3.960 -0.000 0.000 0.236 286 G C 0.853 175.721 174.900 -0.054 0.000 1.293 286 G CA 0.452 45.313 45.100 -0.399 0.000 0.869 286 G HN 0.505 nan 8.290 nan 0.000 0.556 287 N N -0.296 118.316 118.700 -0.146 0.000 2.828 287 N HA -0.173 4.566 4.740 -0.000 0.000 0.248 287 N C 0.976 176.485 175.510 -0.002 0.000 1.044 287 N CA 0.946 53.998 53.050 0.004 0.000 0.851 287 N CB -0.867 37.702 38.487 0.137 0.000 1.136 287 N HN 0.869 nan 8.380 nan 0.000 0.572 305 A N 4.883 127.644 122.820 -0.099 0.000 2.462 305 A HA 0.813 5.133 4.320 -0.000 0.000 0.243 305 A C 0.816 178.243 177.584 -0.261 0.000 1.076 305 A CA 0.673 52.623 52.037 -0.144 0.000 0.773 305 A CB 0.709 19.632 19.000 -0.129 0.000 1.010 305 A HN 1.997 nan 8.150 nan 0.000 0.493 306 G N -0.565 108.083 108.800 -0.253 0.000 2.671 306 G HA2 0.543 4.503 3.960 -0.000 0.000 0.275 306 G HA3 0.543 4.503 3.960 -0.000 0.000 0.275 306 G C -0.345 174.252 174.900 -0.505 0.000 1.368 306 G CA -0.443 44.465 45.100 -0.320 0.000 1.044 306 G HN 0.540 nan 8.290 nan 0.000 0.543 307 F N -0.148 119.838 119.950 0.060 0.000 2.682 307 F HA 0.188 4.715 4.527 -0.001 0.000 0.308 307 F C 2.443 178.281 175.800 0.064 0.000 1.093 307 F CA -0.038 58.003 58.000 0.069 0.000 1.244 307 F CB 0.702 39.754 39.000 0.087 0.000 1.052 307 F HN 0.465 nan 8.300 nan 0.000 0.573 308 E N 0.542 120.839 120.200 0.162 0.000 2.265 308 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 308 E C 1.600 178.244 176.600 0.074 0.000 0.996 308 E CA 1.819 58.291 56.400 0.119 0.000 0.832 308 E CB -1.156 28.590 29.700 0.078 0.000 0.756 308 E HN 0.437 nan 8.360 nan 0.000 0.491 309 T N -0.904 113.674 114.554 0.039 0.000 3.051 309 T HA 0.030 4.380 4.350 -0.000 0.000 0.269 309 T C 2.086 176.775 174.700 -0.019 0.000 1.127 309 T CA 0.529 62.629 62.100 0.000 0.000 1.107 309 T CB -0.303 68.550 68.868 -0.025 0.000 0.898 309 T HN 0.105 nan 8.240 nan 0.000 0.517 310 L N -0.080 121.149 121.223 0.010 0.000 2.007 310 L HA 0.154 4.494 4.340 -0.000 0.000 0.205 310 L C 2.775 179.555 176.870 -0.150 0.000 1.073 310 L CA 1.046 55.835 54.840 -0.085 0.000 0.744 310 L CB -0.591 41.450 42.059 -0.030 0.000 0.898 310 L HN 0.213 nan 8.230 nan 0.000 0.435 311 L N -0.061 121.170 121.223 0.013 0.000 2.046 311 L HA -0.227 4.112 4.340 -0.000 0.000 0.208 311 L C 2.541 179.420 176.870 0.015 0.000 1.077 311 L CA 1.543 56.435 54.840 0.087 0.000 0.747 311 L CB -0.223 41.976 42.059 0.234 0.000 0.896 311 L HN 0.375 nan 8.230 nan 0.000 0.432 312 E N -0.907 119.300 120.200 0.011 0.000 2.118 312 E HA -0.221 4.128 4.350 -0.000 0.000 0.195 312 E C 1.892 178.467 176.600 -0.042 0.000 0.992 312 E CA 1.854 58.252 56.400 -0.003 0.000 0.804 312 E CB -0.044 29.657 29.700 0.001 0.000 0.741 312 E HN 0.511 nan 8.360 nan 0.000 0.458 313 T N 0.551 115.053 114.554 -0.087 0.000 2.777 313 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 313 T C 2.080 176.677 174.700 -0.170 0.000 1.040 313 T CA 0.985 63.000 62.100 -0.141 0.000 1.141 313 T CB -0.117 68.643 68.868 -0.180 0.000 0.868 313 T HN -0.013 nan 8.240 nan 0.000 0.444 314 V N 1.538 121.354 119.914 -0.163 0.000 2.358 314 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 314 V C 2.598 178.646 176.094 -0.076 0.000 1.047 314 V CA 1.627 63.840 62.300 -0.145 0.000 1.035 314 V CB -0.710 31.047 31.823 -0.111 0.000 0.658 314 V HN 0.496 nan 8.190 nan 0.000 0.452 315 Q N -0.444 119.335 119.800 -0.034 0.000 2.050 315 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 315 Q C 2.361 178.367 176.000 0.010 0.000 0.980 315 Q CA 1.880 57.682 55.803 -0.002 0.000 0.840 315 Q CB -0.339 28.408 28.738 0.015 0.000 0.898 315 Q HN 0.536 nan 8.270 nan 0.000 0.424 316 V N 1.021 120.939 119.914 0.006 0.000 2.427 316 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 316 V C 2.168 178.341 176.094 0.130 0.000 1.051 316 V CA 1.409 63.749 62.300 0.067 0.000 1.048 316 V CB -0.465 31.396 31.823 0.064 0.000 0.666 316 V HN 0.348 nan 8.190 nan 0.000 0.456 317 L N -0.478 120.725 121.223 -0.032 0.000 2.079 317 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 317 L C 2.338 179.277 176.870 0.115 0.000 1.081 317 L CA 1.254 56.017 54.840 -0.129 0.000 0.752 317 L CB -0.433 41.340 42.059 -0.477 0.000 0.896 317 L HN 0.227 nan 8.230 nan 0.000 0.433 318 V N -0.889 119.073 119.914 0.079 0.000 2.446 318 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 318 V C 2.345 178.501 176.094 0.102 0.000 1.039 318 V CA 1.387 63.752 62.300 0.108 0.000 1.045 318 V CB -0.255 31.591 31.823 0.039 0.000 0.681 318 V HN 0.351 nan 8.190 nan 0.000 0.459 319 K N -0.104 120.344 120.400 0.080 0.000 2.044 319 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 319 K C 1.764 178.398 176.600 0.056 0.000 1.045 319 K CA 1.525 57.848 56.287 0.059 0.000 0.951 319 K CB -0.015 32.509 32.500 0.041 0.000 0.738 319 K HN 0.368 nan 8.250 nan 0.000 0.443 320 D N -0.947 119.499 120.400 0.076 0.000 2.216 320 D HA -0.011 4.629 4.640 -0.000 0.000 0.208 320 D C 0.297 176.539 176.300 -0.096 0.000 0.960 320 D CA 0.885 54.877 54.000 -0.014 0.000 0.861 320 D CB 0.121 40.909 40.800 -0.021 0.000 0.985 320 D HN 0.071 nan 8.370 nan 0.000 0.493 321 Y N 0.571 120.906 120.300 0.058 0.000 2.593 321 Y HA 0.270 4.820 4.550 -0.000 0.000 0.330 321 Y C 0.890 176.887 175.900 0.163 0.000 1.223 321 Y CA -0.715 57.462 58.100 0.129 0.000 1.350 321 Y CB 0.788 39.357 38.460 0.183 0.000 1.499 321 Y HN -0.282 nan 8.280 nan 0.000 0.554 322 D N 0.840 121.460 120.400 0.366 0.000 2.894 322 D HA 0.157 4.796 4.640 -0.000 0.000 0.273 322 D C -1.041 175.375 176.300 0.195 0.000 1.328 322 D CA 0.111 54.238 54.000 0.210 0.000 0.845 322 D CB -0.316 40.542 40.800 0.096 0.000 1.072 322 D HN 0.210 nan 8.370 nan 0.000 0.484 323 F N 1.487 121.484 119.950 0.078 0.000 2.399 323 F HA 0.059 4.586 4.527 -0.000 0.000 0.342 323 F C 1.652 177.465 175.800 0.022 0.000 1.106 323 F CA -0.599 57.425 58.000 0.040 0.000 1.196 323 F CB 0.924 39.933 39.000 0.015 0.000 1.163 323 F HN -0.132 nan 8.300 nan 0.000 0.547 324 S N 2.870 118.662 115.700 0.154 0.000 2.614 324 S HA 0.263 4.732 4.470 -0.000 0.000 0.265 324 S C 1.154 175.801 174.600 0.077 0.000 1.303 324 S CA -0.779 57.480 58.200 0.098 0.000 1.000 324 S CB 0.835 64.085 63.200 0.084 0.000 0.935 324 S HN 0.622 nan 8.310 nan 0.000 0.551 325 I N 1.110 121.652 120.570 -0.046 0.000 2.208 325 I HA -0.197 3.972 4.170 -0.000 0.000 0.245 325 I C 2.922 178.971 176.117 -0.113 0.000 1.097 325 I CA 1.571 62.742 61.300 -0.216 0.000 1.363 325 I CB -0.662 36.901 38.000 -0.729 0.000 1.051 325 I HN 0.854 nan 8.210 nan 0.000 0.413 326 S N 0.672 116.385 115.700 0.022 0.000 2.353 326 S HA -0.247 4.223 4.470 -0.000 0.000 0.222 326 S C 1.733 176.403 174.600 0.118 0.000 1.035 326 S CA 2.095 60.379 58.200 0.140 0.000 1.025 326 S CB -0.255 63.069 63.200 0.207 0.000 0.902 326 S HN 0.386 nan 8.310 nan 0.000 0.440 327 D N 1.068 121.551 120.400 0.139 0.000 2.117 327 D HA 0.067 4.707 4.640 -0.000 0.000 0.198 327 D C 2.192 178.630 176.300 0.230 0.000 0.982 327 D CA 1.207 55.325 54.000 0.197 0.000 0.828 327 D CB -0.668 40.266 40.800 0.222 0.000 0.967 327 D HN 0.467 nan 8.370 nan 0.000 0.464 328 A N 0.429 123.365 122.820 0.193 0.000 1.978 328 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 328 A C 2.292 179.852 177.584 -0.039 0.000 1.170 328 A CA 0.907 52.952 52.037 0.014 0.000 0.636 328 A CB -0.645 18.340 19.000 -0.026 0.000 0.810 328 A HN 0.232 nan 8.150 nan 0.000 0.448 329 L N -1.402 119.832 121.223 0.018 0.000 2.179 329 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 329 L C 2.723 179.619 176.870 0.043 0.000 1.096 329 L CA 0.678 55.543 54.840 0.041 0.000 0.779 329 L CB -0.408 41.712 42.059 0.101 0.000 0.922 329 L HN 0.341 nan 8.230 nan 0.000 0.443 330 R N 0.303 120.838 120.500 0.057 0.000 2.113 330 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 330 R C -0.430 175.886 176.300 0.027 0.000 1.142 330 R CA 1.709 57.844 56.100 0.058 0.000 0.953 330 R CB -1.648 28.697 30.300 0.075 0.000 0.860 330 R HN 0.322 nan 8.270 nan 0.000 0.438 331 P HA -0.089 nan 4.420 nan 0.000 0.225 331 P C 0.409 177.677 177.300 -0.055 0.000 1.148 331 P CA 1.137 64.212 63.100 -0.042 0.000 0.779 331 P CB 0.159 31.808 31.700 -0.085 0.000 0.780 332 L N -2.663 118.519 121.223 -0.068 0.000 2.693 332 L HA 0.201 4.540 4.340 -0.000 0.000 0.235 332 L C 1.542 178.462 176.870 0.082 0.000 1.127 332 L CA 0.718 55.516 54.840 -0.069 0.000 0.914 332 L CB -0.900 40.952 42.059 -0.345 0.000 1.193 332 L HN 0.050 nan 8.230 nan 0.000 0.502 333 T N -5.852 108.758 114.554 0.094 0.000 2.977 333 T HA 0.060 4.409 4.350 -0.000 0.000 0.152 333 T C 1.680 176.437 174.700 0.096 0.000 0.867 333 T CA 0.564 62.744 62.100 0.134 0.000 0.917 333 T CB -0.629 68.338 68.868 0.166 0.000 2.051 333 T HN -0.019 nan 8.240 nan 0.000 0.350 334 S N 1.983 117.736 115.700 0.087 0.000 2.387 334 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 334 S C 2.230 176.870 174.600 0.067 0.000 1.035 334 S CA 1.795 60.038 58.200 0.072 0.000 1.014 334 S CB -1.280 61.962 63.200 0.069 0.000 0.836 334 S HN 0.499 nan 8.310 nan 0.000 0.466 335 S N 1.454 117.193 115.700 0.065 0.000 2.368 335 S HA -0.013 4.457 4.470 -0.000 0.000 0.224 335 S C 2.006 176.661 174.600 0.091 0.000 1.029 335 S CA 1.264 59.504 58.200 0.066 0.000 0.988 335 S CB -0.594 62.630 63.200 0.040 0.000 0.838 335 S HN 0.468 nan 8.310 nan 0.000 0.462 336 V N 2.115 122.075 119.914 0.078 0.000 2.307 336 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 336 V C 2.666 178.817 176.094 0.095 0.000 1.045 336 V CA 1.601 63.961 62.300 0.099 0.000 1.024 336 V CB -1.280 30.589 31.823 0.077 0.000 0.651 336 V HN 0.528 nan 8.190 nan 0.000 0.449 337 A N 0.650 123.505 122.820 0.058 0.000 1.972 337 A HA -0.073 4.246 4.320 -0.000 0.000 0.219 337 A C 2.363 179.948 177.584 0.003 0.000 1.169 337 A CA 1.933 53.976 52.037 0.010 0.000 0.635 337 A CB -1.060 17.955 19.000 0.025 0.000 0.810 337 A HN 0.536 nan 8.150 nan 0.000 0.446 338 G N -1.570 107.258 108.800 0.046 0.000 2.394 338 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.215 338 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.215 338 G C 1.463 176.390 174.900 0.046 0.000 1.165 338 G CA 0.924 46.048 45.100 0.039 0.000 0.784 338 G HN 0.492 nan 8.290 nan 0.000 0.535 339 F N 0.956 120.887 119.950 -0.032 0.000 2.134 339 F HA 0.092 4.619 4.527 -0.000 0.000 0.299 339 F C 1.972 177.739 175.800 -0.056 0.000 1.097 339 F CA 1.143 59.125 58.000 -0.031 0.000 1.264 339 F CB 0.115 39.106 39.000 -0.014 0.000 1.001 339 F HN -0.012 nan 8.300 nan 0.000 0.479 340 L N 0.349 121.503 121.223 -0.115 0.000 2.653 340 L HA 0.094 4.434 4.340 -0.000 0.000 0.231 340 L C 0.455 177.164 176.870 -0.269 0.000 1.153 340 L CA 0.082 54.773 54.840 -0.249 0.000 0.933 340 L CB -0.936 41.022 42.059 -0.168 0.000 1.175 340 L HN 0.222 nan 8.230 nan 0.000 0.473 341 N N 1.371 119.949 118.700 -0.203 0.000 2.716 341 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 341 N C -0.275 175.123 175.510 -0.187 0.000 1.033 341 N CA 0.413 53.365 53.050 -0.164 0.000 0.727 341 N CB -1.083 37.308 38.487 -0.160 0.000 0.950 341 N HN 0.343 nan 8.380 nan 0.000 0.541 342 L N 1.149 122.246 121.223 -0.211 0.000 2.415 342 L HA 0.108 4.448 4.340 -0.000 0.000 0.269 342 L C 0.545 177.357 176.870 -0.097 0.000 1.244 342 L CA -0.200 54.482 54.840 -0.262 0.000 1.113 342 L CB -0.464 41.402 42.059 -0.322 0.000 1.352 342 L HN 0.158 nan 8.230 nan 0.000 0.433 343 T N 1.877 116.397 114.554 -0.058 0.000 2.866 343 T HA 0.141 4.491 4.350 -0.000 0.000 0.293 343 T C 1.282 176.008 174.700 0.043 0.000 1.005 343 T CA 1.013 63.113 62.100 0.000 0.000 1.162 343 T CB 0.788 69.663 68.868 0.012 0.000 0.968 343 T HN 0.960 nan 8.240 nan 0.000 0.530 344 G N 2.396 111.221 108.800 0.043 0.000 2.176 344 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.253 344 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.253 344 G C 0.151 175.096 174.900 0.074 0.000 0.979 344 G CA -0.038 45.099 45.100 0.061 0.000 0.641 344 G HN 0.589 nan 8.290 nan 0.000 0.530 345 K N -0.621 119.820 120.400 0.069 0.000 2.306 345 K HA 0.699 5.019 4.320 -0.000 0.000 0.236 345 K C 1.293 177.935 176.600 0.070 0.000 1.013 345 K CA -0.194 56.144 56.287 0.084 0.000 0.857 345 K CB 0.947 33.507 32.500 0.100 0.000 1.214 345 K HN 1.177 nan 8.250 nan 0.000 0.449 346 G N 0.566 109.419 108.800 0.088 0.000 2.196 346 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.268 346 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.268 346 G C -0.258 174.693 174.900 0.085 0.000 0.975 346 G CA 0.742 45.897 45.100 0.092 0.000 0.648 346 G HN 0.512 nan 8.290 nan 0.000 0.538 347 E N -1.007 119.237 120.200 0.072 0.000 2.335 347 E HA 0.450 4.800 4.350 -0.000 0.000 0.280 347 E C -0.590 176.044 176.600 0.056 0.000 0.918 347 E CA -0.926 55.513 56.400 0.066 0.000 0.765 347 E CB 1.714 31.447 29.700 0.055 0.000 1.218 347 E HN 0.183 nan 8.360 nan 0.000 0.425 348 I N 4.478 125.081 120.570 0.055 0.000 2.281 348 I HA 0.291 4.460 4.170 -0.000 0.000 0.293 348 I C -0.613 175.523 176.117 0.032 0.000 1.085 348 I CA 0.155 61.480 61.300 0.041 0.000 1.257 348 I CB 0.003 38.027 38.000 0.041 0.000 1.430 348 I HN 0.225 nan 8.210 nan 0.000 0.489 349 L N 7.963 129.202 121.223 0.028 0.000 2.518 349 L HA 0.517 4.856 4.340 -0.000 0.000 0.257 349 L C -2.509 174.373 176.870 0.020 0.000 0.980 349 L CA -1.957 52.897 54.840 0.022 0.000 0.837 349 L CB 2.950 45.023 42.059 0.024 0.000 1.410 349 L HN 0.261 nan 8.230 nan 0.000 0.410 350 P HA 0.091 nan 4.420 nan 0.000 0.268 350 P C 0.612 177.925 177.300 0.021 0.000 1.205 350 P CA 0.951 64.062 63.100 0.017 0.000 0.771 350 P CB 1.157 32.865 31.700 0.013 0.000 0.858 351 G N 1.940 110.755 108.800 0.025 0.000 2.254 351 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.225 351 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.225 351 G C 0.362 175.281 174.900 0.031 0.000 1.003 351 G CA -0.236 44.880 45.100 0.027 0.000 0.622 351 G HN 0.562 nan 8.290 nan 0.000 0.507 352 N N 1.714 120.434 118.700 0.032 0.000 2.445 352 N HA 0.487 5.227 4.740 -0.000 0.000 0.264 352 N C -0.311 175.224 175.510 0.042 0.000 1.227 352 N CA -0.386 52.688 53.050 0.040 0.000 0.963 352 N CB 0.424 38.935 38.487 0.041 0.000 1.188 352 N HN 0.211 nan 8.380 nan 0.000 0.491 353 D N 0.024 120.456 120.400 0.054 0.000 2.399 353 D HA 0.166 4.806 4.640 -0.000 0.000 0.241 353 D C -0.164 176.163 176.300 0.046 0.000 1.133 353 D CA -0.063 53.969 54.000 0.054 0.000 0.890 353 D CB 0.472 41.316 40.800 0.073 0.000 1.201 353 D HN 0.480 nan 8.370 nan 0.000 0.432 354 A N 2.473 125.316 122.820 0.038 0.000 3.051 354 A HA 0.083 4.402 4.320 -0.000 0.000 0.257 354 A C -0.409 177.208 177.584 0.055 0.000 1.785 354 A CA -0.304 51.750 52.037 0.028 0.000 1.420 354 A CB -0.400 18.608 19.000 0.013 0.000 1.063 354 A HN 0.235 nan 8.150 nan 0.000 0.630 355 D N 1.428 121.862 120.400 0.058 0.000 2.443 355 D HA 0.526 5.165 4.640 -0.000 0.000 0.221 355 D C -0.411 175.922 176.300 0.055 0.000 1.097 355 D CA 0.408 54.448 54.000 0.067 0.000 0.865 355 D CB 1.039 41.880 40.800 0.069 0.000 1.034 355 D HN 0.381 nan 8.370 nan 0.000 0.511 356 L N 1.423 122.695 121.223 0.082 0.000 2.388 356 L HA 0.559 4.899 4.340 -0.000 0.000 0.264 356 L C -0.450 176.472 176.870 0.086 0.000 0.998 356 L CA -0.920 53.959 54.840 0.064 0.000 0.817 356 L CB 2.178 44.248 42.059 0.019 0.000 1.338 356 L HN -0.006 nan 8.230 nan 0.000 0.414 357 L N 2.390 123.621 121.223 0.014 0.000 2.346 357 L HA 0.651 4.991 4.340 -0.000 0.000 0.276 357 L C -0.838 176.056 176.870 0.038 0.000 1.006 357 L CA -0.955 53.868 54.840 -0.028 0.000 0.817 357 L CB 2.328 44.267 42.059 -0.200 0.000 1.272 357 L HN 0.252 nan 8.230 nan 0.000 0.421 358 V N 4.208 124.161 119.914 0.066 0.000 2.384 358 V HA 0.508 4.628 4.120 -0.000 0.000 0.287 358 V C 0.138 176.261 176.094 0.048 0.000 1.020 358 V CA -0.220 62.130 62.300 0.083 0.000 0.850 358 V CB 1.579 33.481 31.823 0.132 0.000 0.987 358 V HN 0.729 nan 8.190 nan 0.000 0.436 359 M N 3.030 122.660 119.600 0.051 0.000 2.727 359 M HA 0.551 5.031 4.480 -0.000 0.000 0.300 359 M C 0.250 176.582 176.300 0.052 0.000 1.246 359 M CA -0.654 54.671 55.300 0.041 0.000 0.835 359 M CB 2.605 35.224 32.600 0.031 0.000 1.755 359 M HN 0.673 nan 8.290 nan 0.000 0.473 360 T N -2.767 111.813 114.554 0.044 0.000 2.847 360 T HA 0.330 4.680 4.350 -0.000 0.000 0.279 360 T C -2.298 172.430 174.700 0.048 0.000 0.984 360 T CA -1.534 60.594 62.100 0.047 0.000 0.988 360 T CB 0.558 69.449 68.868 0.039 0.000 1.040 360 T HN 0.331 nan 8.240 nan 0.000 0.528 361 P HA -0.003 nan 4.420 nan 0.000 0.221 361 P C 0.674 177.992 177.300 0.030 0.000 1.145 361 P CA 0.803 63.936 63.100 0.054 0.000 0.795 361 P CB -0.020 31.720 31.700 0.067 0.000 0.775 362 E N -0.901 119.317 120.200 0.030 0.000 2.445 362 E HA 0.147 4.497 4.350 -0.000 0.000 0.189 362 E C 0.471 177.083 176.600 0.021 0.000 1.069 362 E CA -0.025 56.389 56.400 0.024 0.000 0.871 362 E CB -0.771 28.945 29.700 0.027 0.000 0.991 362 E HN 0.083 nan 8.360 nan 0.000 0.481 363 L N 0.296 121.529 121.223 0.018 0.000 3.717 363 L HA -0.267 4.072 4.340 -0.000 0.000 0.411 363 L C -0.379 176.517 176.870 0.043 0.000 1.233 363 L CA 0.194 55.048 54.840 0.024 0.000 0.917 363 L CB -1.215 40.854 42.059 0.016 0.000 1.902 363 L HN 0.195 nan 8.230 nan 0.000 0.894 364 R N 0.903 121.425 120.500 0.037 0.000 2.265 364 R HA 0.564 4.904 4.340 -0.000 0.000 0.319 364 R C 0.234 176.553 176.300 0.033 0.000 1.006 364 R CA -0.767 55.356 56.100 0.039 0.000 0.880 364 R CB 1.088 31.407 30.300 0.033 0.000 1.077 364 R HN 0.187 nan 8.270 nan 0.000 0.454 365 I N 3.066 123.654 120.570 0.030 0.000 2.618 365 I HA -0.091 4.079 4.170 -0.000 0.000 0.284 365 I C 1.328 177.448 176.117 0.006 0.000 1.146 365 I CA 0.691 61.995 61.300 0.007 0.000 1.425 365 I CB 0.600 38.594 38.000 -0.011 0.000 1.383 365 I HN 0.560 nan 8.210 nan 0.000 0.562 366 E N 3.963 124.166 120.200 0.006 0.000 2.279 366 E HA 0.136 4.486 4.350 -0.000 0.000 0.199 366 E C -0.095 176.498 176.600 -0.013 0.000 0.893 366 E CA 0.171 56.575 56.400 0.007 0.000 0.978 366 E CB 0.529 30.244 29.700 0.025 0.000 0.964 366 E HN 0.616 nan 8.360 nan 0.000 0.486 367 Q N 0.570 120.366 119.800 -0.007 0.000 2.423 367 Q HA 0.568 4.908 4.340 -0.000 0.000 0.278 367 Q C -1.435 174.529 176.000 -0.061 0.000 1.097 367 Q CA -0.696 55.073 55.803 -0.056 0.000 0.809 367 Q CB 3.542 32.282 28.738 0.004 0.000 1.391 367 Q HN -0.098 nan 8.270 nan 0.000 0.428 368 V N 1.885 121.691 119.914 -0.181 0.000 2.623 368 V HA 0.418 4.537 4.120 -0.000 0.000 0.304 368 V C -1.650 174.308 176.094 -0.227 0.000 1.054 368 V CA -0.792 61.436 62.300 -0.121 0.000 0.882 368 V CB 1.220 32.969 31.823 -0.122 0.000 1.002 368 V HN 0.638 nan 8.190 nan 0.000 0.424 369 Y N 2.349 122.621 120.300 -0.046 0.000 2.364 369 Y HA 0.790 5.340 4.550 -0.000 0.000 0.340 369 Y C 0.354 176.235 175.900 -0.032 0.000 0.975 369 Y CA -0.687 57.395 58.100 -0.031 0.000 1.089 369 Y CB 2.256 40.706 38.460 -0.017 0.000 1.192 369 Y HN 0.722 nan 8.280 nan 0.000 0.454 370 A N 3.237 126.115 122.820 0.096 0.000 2.332 370 A HA 0.685 5.005 4.320 -0.000 0.000 0.300 370 A C -0.017 177.599 177.584 0.054 0.000 1.153 370 A CA -1.080 50.987 52.037 0.051 0.000 0.764 370 A CB 0.331 19.331 19.000 -0.001 0.000 1.174 370 A HN 0.959 nan 8.150 nan 0.000 0.467 371 R N 1.628 122.161 120.500 0.055 0.000 3.333 371 R HA -0.246 4.093 4.340 -0.000 0.000 0.256 371 R C 1.206 177.537 176.300 0.051 0.000 1.010 371 R CA 1.241 57.365 56.100 0.041 0.000 0.680 371 R CB -1.895 28.414 30.300 0.015 0.000 1.102 371 R HN 2.437 nan 8.270 nan 0.000 0.440 372 G N -2.662 106.190 108.800 0.088 0.000 2.245 372 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.264 372 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.264 372 G C 0.203 175.214 174.900 0.184 0.000 0.985 372 G CA 0.822 45.987 45.100 0.108 0.000 0.625 372 G HN 0.813 nan 8.290 nan 0.000 0.536 373 K N 1.094 121.575 120.400 0.136 0.000 2.156 373 K HA 0.780 5.100 4.320 -0.000 0.000 0.271 373 K C 0.386 176.988 176.600 0.004 0.000 0.995 373 K CA -0.523 55.812 56.287 0.080 0.000 0.890 373 K CB 1.269 33.776 32.500 0.010 0.000 1.073 373 K HN 0.784 nan 8.250 nan 0.000 0.454 374 L N 4.436 125.591 121.223 -0.113 0.000 2.456 374 L HA 0.111 4.451 4.340 -0.000 0.000 0.277 374 L C 0.387 177.099 176.870 -0.263 0.000 1.124 374 L CA 0.095 54.677 54.840 -0.430 0.000 0.880 374 L CB 0.396 42.238 42.059 -0.362 0.000 1.192 374 L HN 0.844 nan 8.230 nan 0.000 0.463 375 M N 4.873 124.312 119.600 -0.269 0.000 2.545 375 M HA 0.161 4.641 4.480 -0.000 0.000 0.264 375 M C 0.234 176.442 176.300 -0.154 0.000 1.155 375 M CA 0.617 55.819 55.300 -0.164 0.000 1.162 375 M CB 0.055 32.580 32.600 -0.125 0.000 1.330 375 M HN 0.280 nan 8.290 nan 0.000 0.479 376 V N 0.286 120.083 119.914 -0.195 0.000 2.709 376 V HA 0.313 4.433 4.120 -0.000 0.000 0.308 376 V C 0.591 176.588 176.094 -0.162 0.000 1.062 376 V CA -0.668 61.547 62.300 -0.142 0.000 0.901 376 V CB 2.920 34.677 31.823 -0.110 0.000 1.003 376 V HN 0.188 nan 8.190 nan 0.000 0.425 377 K N 1.570 121.905 120.400 -0.108 0.000 2.266 377 K HA 0.235 4.555 4.320 -0.000 0.000 0.209 377 K C 0.324 176.895 176.600 -0.048 0.000 1.065 377 K CA 0.361 56.594 56.287 -0.089 0.000 0.946 377 K CB 0.564 33.022 32.500 -0.070 0.000 1.069 377 K HN 0.704 nan 8.250 nan 0.000 0.472 378 D N -0.299 120.081 120.400 -0.033 0.000 2.891 378 D HA 0.197 4.837 4.640 -0.000 0.000 0.312 378 D C -0.054 176.239 176.300 -0.012 0.000 1.354 378 D CA 0.379 54.370 54.000 -0.015 0.000 0.838 378 D CB 1.183 41.978 40.800 -0.008 0.000 1.117 378 D HN 0.592 nan 8.370 nan 0.000 0.473 379 G N 0.413 109.201 108.800 -0.019 0.000 2.199 379 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 379 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 379 G C 0.611 175.503 174.900 -0.013 0.000 0.982 379 G CA 0.511 45.604 45.100 -0.011 0.000 0.632 379 G HN 0.647 nan 8.290 nan 0.000 0.529 380 K N -0.110 120.277 120.400 -0.021 0.000 2.244 380 K HA 0.984 5.303 4.320 -0.000 0.000 0.260 380 K C 0.295 176.873 176.600 -0.037 0.000 0.951 380 K CA 0.455 56.730 56.287 -0.021 0.000 0.826 380 K CB 1.470 33.961 32.500 -0.015 0.000 1.108 380 K HN 1.934 nan 8.250 nan 0.000 0.433 381 A N 0.594 123.393 122.820 -0.035 0.000 2.520 381 A HA 0.374 4.694 4.320 -0.000 0.000 0.245 381 A C 1.181 178.736 177.584 -0.049 0.000 1.072 381 A CA 0.280 52.287 52.037 -0.049 0.000 0.761 381 A CB -0.871 18.105 19.000 -0.041 0.000 1.004 381 A HN 1.669 nan 8.150 nan 0.000 0.499 382 C N 0.892 120.154 119.300 -0.065 0.000 3.104 382 C HA 0.573 5.032 4.460 -0.000 0.000 0.284 382 C C 0.099 175.053 174.990 -0.060 0.000 1.326 382 C CA -0.534 58.449 59.018 -0.059 0.000 1.725 382 C CB -1.722 25.978 27.740 -0.066 0.000 2.156 382 C HN 0.456 nan 8.230 nan 0.000 0.638 383 V N 1.966 121.842 119.914 -0.064 0.000 2.569 383 V HA 0.479 4.599 4.120 -0.000 0.000 0.301 383 V C -0.685 175.373 176.094 -0.059 0.000 1.044 383 V CA -0.192 62.069 62.300 -0.064 0.000 0.874 383 V CB 1.745 33.525 31.823 -0.072 0.000 1.002 383 V HN 0.394 nan 8.190 nan 0.000 0.424 384 K N 2.193 122.558 120.400 -0.058 0.000 2.400 384 K HA 0.691 5.011 4.320 -0.000 0.000 0.246 384 K C 0.341 176.903 176.600 -0.064 0.000 0.995 384 K CA -0.784 55.473 56.287 -0.051 0.000 0.840 384 K CB 2.357 34.835 32.500 -0.036 0.000 1.293 384 K HN 0.808 nan 8.250 nan 0.000 0.445 385 G N 0.247 109.017 108.800 -0.049 0.000 2.559 385 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.235 385 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.235 385 G C 0.787 175.615 174.900 -0.120 0.000 1.266 385 G CA -0.134 44.931 45.100 -0.059 0.000 0.847 385 G HN 0.570 nan 8.290 nan 0.000 0.583 386 T N 1.229 115.648 114.554 -0.225 0.000 2.680 386 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 386 T C 1.271 175.587 174.700 -0.640 0.000 1.033 386 T CA 1.831 63.623 62.100 -0.513 0.000 1.152 386 T CB -0.265 68.120 68.868 -0.806 0.000 0.859 386 T HN 0.444 nan 8.240 nan 0.000 0.452 387 F N 0.910 120.856 119.950 -0.008 0.000 2.708 387 F HA 0.369 4.896 4.527 -0.001 0.000 0.300 387 F C 1.011 176.811 175.800 -0.001 0.000 1.118 387 F CA -0.745 57.252 58.000 -0.004 0.000 1.307 387 F CB 0.012 39.010 39.000 -0.003 0.000 0.986 387 F HN 0.042 nan 8.300 nan 0.000 0.522 388 E N 0.000 120.257 120.200 0.094 0.000 2.725 388 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 388 E CA 0.000 56.442 56.400 0.069 0.000 0.976 388 E CB 0.000 29.717 29.700 0.029 0.000 0.812 388 E HN 0.000 nan 8.360 nan 0.000 0.440