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 1fp2_1_A DATA FIRST_RESID 8 DATA SEQUENCE RKPSEIFKAQ ALLYKHIYAF IDSMSLKWAV EMNIPNIIQN HGKPISLSNL DATA SEQUENCE VSILQVPSSK IGNVRRLMRY LAHNGFFEII TKEEESYALT VASELLVRGS DATA SEQUENCE DLCLAPMVEC VLDPTLSGSY HELKKWIYEE DLTLFGVTLG SGFWDFLDKN DATA SEQUENCE PEYNTSFNDA MASDSKLINL ALRDCDFVFD GLESIVDVGG GTGTTAKIIC DATA SEQUENCE ETFPKLKCIV FDRPQVVENL SGSNNLTYVG GDMFTSIPNA DAVLLKYILH DATA SEQUENCE NWTDKDCLRI LKKCKEAVTN DGKRGKVTII DMVIDKKKDE NQVTQIKLLM DATA SEQUENCE DVNMACLNGK ERNEEEWKKL FIEAGFQHYK ISPLTGFLSL IEIYP 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.308 176.300 0.013 0.000 0.893 8 R CA 0.000 56.108 56.100 0.014 0.000 0.921 8 R CB 0.000 30.307 30.300 0.012 0.000 0.687 9 K N 4.044 124.453 120.400 0.016 0.000 1.884 9 K HA 0.647 4.972 4.320 0.008 0.000 0.250 9 K C -2.153 174.457 176.600 0.018 0.000 1.009 9 K CA -1.521 54.776 56.287 0.016 0.000 0.925 9 K CB 0.647 33.157 32.500 0.017 0.000 1.839 9 K HN 0.417 nan 8.250 nan 0.000 0.735 10 P HA 0.077 nan 4.420 nan 0.000 0.341 10 P C 0.497 177.819 177.300 0.035 0.000 1.349 10 P CA -0.166 62.948 63.100 0.023 0.000 0.830 10 P CB 0.196 31.909 31.700 0.021 0.000 1.986 11 S N -0.735 114.991 115.700 0.044 0.000 2.805 11 S HA -0.049 4.426 4.470 0.008 0.000 0.230 11 S C 1.144 175.798 174.600 0.091 0.000 0.968 11 S CA 0.215 58.461 58.200 0.077 0.000 0.976 11 S CB -1.246 62.007 63.200 0.088 0.000 0.787 11 S HN 0.344 nan 8.310 nan 0.000 0.533 12 E N -0.003 120.231 120.200 0.057 0.000 2.481 12 E HA 0.014 4.370 4.350 0.008 0.000 0.195 12 E C 1.336 177.964 176.600 0.048 0.000 1.047 12 E CA -0.035 56.389 56.400 0.040 0.000 0.867 12 E CB -0.034 29.680 29.700 0.023 0.000 0.858 12 E HN 0.473 nan 8.360 nan 0.000 0.513 13 I N 1.136 121.747 120.570 0.068 0.000 2.252 13 I HA -0.195 3.980 4.170 0.008 0.000 0.245 13 I C 2.204 178.394 176.117 0.121 0.000 1.102 13 I CA 0.977 62.319 61.300 0.070 0.000 1.385 13 I CB -1.039 36.996 38.000 0.058 0.000 1.064 13 I HN 0.134 nan 8.210 nan 0.000 0.414 14 F N 2.380 122.306 119.950 -0.041 0.000 2.171 14 F HA -0.224 4.308 4.527 0.009 0.000 0.300 14 F C 2.530 178.292 175.800 -0.064 0.000 1.090 14 F CA 1.784 59.747 58.000 -0.062 0.000 1.293 14 F CB -0.575 38.398 39.000 -0.045 0.000 1.013 14 F HN 0.051 nan 8.300 nan 0.000 0.486 15 K N 0.141 120.502 120.400 -0.065 0.000 2.057 15 K HA -0.115 4.210 4.320 0.008 0.000 0.207 15 K C 2.185 178.728 176.600 -0.096 0.000 1.049 15 K CA 1.234 57.419 56.287 -0.170 0.000 0.931 15 K CB -0.361 32.082 32.500 -0.094 0.000 0.714 15 K HN 0.254 nan 8.250 nan 0.000 0.440 16 A N 1.040 123.841 122.820 -0.030 0.000 1.969 16 A HA -0.197 4.129 4.320 0.008 0.000 0.218 16 A C 2.062 179.638 177.584 -0.013 0.000 1.169 16 A CA 1.459 53.492 52.037 -0.008 0.000 0.635 16 A CB -0.516 18.491 19.000 0.011 0.000 0.810 16 A HN 0.566 nan 8.150 nan 0.000 0.445 17 Q N -0.404 119.374 119.800 -0.037 0.000 2.084 17 Q HA -0.113 4.232 4.340 0.008 0.000 0.202 17 Q C 2.160 178.024 176.000 -0.227 0.000 0.978 17 Q CA 1.539 57.263 55.803 -0.132 0.000 0.844 17 Q CB -0.352 28.308 28.738 -0.130 0.000 0.898 17 Q HN 0.591 nan 8.270 nan 0.000 0.426 18 A N 0.763 123.469 122.820 -0.189 0.000 1.902 18 A HA -0.191 4.134 4.320 0.008 0.000 0.217 18 A C 1.984 179.581 177.584 0.021 0.000 1.181 18 A CA 1.399 53.352 52.037 -0.141 0.000 0.623 18 A CB -0.781 18.076 19.000 -0.238 0.000 0.818 18 A HN 0.499 nan 8.150 nan 0.000 0.443 19 L N -0.720 120.523 121.223 0.034 0.000 2.017 19 L HA -0.123 4.222 4.340 0.008 0.000 0.208 19 L C 2.276 179.298 176.870 0.254 0.000 1.073 19 L CA 2.163 57.087 54.840 0.139 0.000 0.745 19 L CB -0.652 41.461 42.059 0.090 0.000 0.894 19 L HN 0.366 nan 8.230 nan 0.000 0.432 20 L N -1.408 119.930 121.223 0.191 0.000 2.012 20 L HA -0.252 4.093 4.340 0.008 0.000 0.210 20 L C 2.341 179.452 176.870 0.401 0.000 1.073 20 L CA 1.882 56.876 54.840 0.256 0.000 0.748 20 L CB -0.979 41.212 42.059 0.220 0.000 0.891 20 L HN 0.300 nan 8.230 nan 0.000 0.431 21 Y N 0.385 120.789 120.300 0.172 0.000 2.224 21 Y HA -0.242 4.313 4.550 0.008 0.000 0.289 21 Y C 2.686 178.734 175.900 0.247 0.000 1.146 21 Y CA 1.443 59.689 58.100 0.244 0.000 1.182 21 Y CB -0.879 37.728 38.460 0.245 0.000 0.983 21 Y HN 0.341 nan 8.280 nan 0.000 0.524 22 K N -0.673 119.918 120.400 0.317 0.000 2.103 22 K HA -0.226 4.099 4.320 0.008 0.000 0.207 22 K C 1.599 178.186 176.600 -0.021 0.000 1.048 22 K CA 2.037 58.396 56.287 0.120 0.000 0.930 22 K CB -0.201 32.317 32.500 0.029 0.000 0.716 22 K HN 0.365 nan 8.250 nan 0.000 0.444 23 H N -0.214 118.940 119.070 0.139 0.000 2.448 23 H HA 0.107 4.668 4.556 0.009 0.000 0.292 23 H C 1.848 177.216 175.328 0.067 0.000 1.035 23 H CA 1.320 57.424 56.048 0.093 0.000 1.349 23 H CB 0.148 29.955 29.762 0.074 0.000 1.425 23 H HN 0.108 nan 8.280 nan 0.000 0.539 24 I N -0.248 120.394 120.570 0.121 0.000 2.208 24 I HA -0.305 3.870 4.170 0.008 0.000 0.245 24 I C 0.873 176.905 176.117 -0.142 0.000 1.097 24 I CA 1.524 62.772 61.300 -0.086 0.000 1.363 24 I CB -0.084 37.705 38.000 -0.352 0.000 1.051 24 I HN 0.319 nan 8.210 nan 0.000 0.413 25 Y N -0.140 120.167 120.300 0.013 0.000 2.493 25 Y HA 0.314 4.869 4.550 0.008 0.000 0.275 25 Y C 2.118 177.784 175.900 -0.389 0.000 1.183 25 Y CA 0.049 57.995 58.100 -0.258 0.000 1.258 25 Y CB -0.139 38.168 38.460 -0.255 0.000 1.108 25 Y HN 0.043 nan 8.280 nan 0.000 0.521 26 A N 0.648 123.445 122.820 -0.039 0.000 2.024 26 A HA -0.252 4.073 4.320 0.008 0.000 0.220 26 A C 1.900 179.455 177.584 -0.048 0.000 1.164 26 A CA 1.805 53.814 52.037 -0.046 0.000 0.643 26 A CB -1.309 17.672 19.000 -0.031 0.000 0.806 26 A HN 0.701 nan 8.150 nan 0.000 0.451 27 F N -0.581 119.389 119.950 0.034 0.000 2.250 27 F HA -0.095 4.437 4.527 0.008 0.000 0.301 27 F C 1.614 177.438 175.800 0.040 0.000 1.077 27 F CA 1.006 59.018 58.000 0.021 0.000 1.348 27 F CB -0.752 38.253 39.000 0.007 0.000 1.040 27 F HN 0.155 nan 8.300 nan 0.000 0.509 28 I N 0.871 121.045 120.570 -0.662 0.000 2.454 28 I HA -0.230 3.945 4.170 0.008 0.000 0.254 28 I C 1.881 177.941 176.117 -0.094 0.000 1.156 28 I CA 1.206 62.264 61.300 -0.404 0.000 1.433 28 I CB -0.627 37.033 38.000 -0.566 0.000 1.082 28 I HN 0.113 nan 8.210 nan 0.000 0.432 29 D N 0.511 120.932 120.400 0.034 0.000 2.117 29 D HA -0.128 4.517 4.640 0.008 0.000 0.197 29 D C 2.399 178.763 176.300 0.107 0.000 0.987 29 D CA 1.301 55.410 54.000 0.183 0.000 0.829 29 D CB -0.022 40.868 40.800 0.149 0.000 0.961 29 D HN 0.164 nan 8.370 nan 0.000 0.460 30 S N -0.098 115.646 115.700 0.073 0.000 2.371 30 S HA -0.058 4.417 4.470 0.008 0.000 0.224 30 S C 1.909 176.551 174.600 0.069 0.000 1.029 30 S CA 0.699 58.934 58.200 0.059 0.000 0.978 30 S CB 0.038 63.277 63.200 0.065 0.000 0.833 30 S HN 0.222 nan 8.310 nan 0.000 0.466 31 M N 1.797 121.455 119.600 0.096 0.000 2.254 31 M HA 0.028 4.513 4.480 0.008 0.000 0.265 31 M C 2.388 178.752 176.300 0.107 0.000 1.066 31 M CA 1.096 56.461 55.300 0.109 0.000 1.123 31 M CB -1.655 31.031 32.600 0.142 0.000 1.388 31 M HN 0.455 nan 8.290 nan 0.000 0.425 32 S N 0.578 116.321 115.700 0.071 0.000 2.406 32 S HA -0.089 4.386 4.470 0.008 0.000 0.228 32 S C 1.890 176.616 174.600 0.210 0.000 1.020 32 S CA 0.688 58.961 58.200 0.121 0.000 0.965 32 S CB -0.763 62.490 63.200 0.087 0.000 0.798 32 S HN 0.390 nan 8.310 nan 0.000 0.488 33 L N 2.037 123.297 121.223 0.062 0.000 2.044 33 L HA 0.160 4.505 4.340 0.008 0.000 0.205 33 L C 2.474 179.332 176.870 -0.019 0.000 1.075 33 L CA 2.002 56.780 54.840 -0.103 0.000 0.747 33 L CB -0.844 41.054 42.059 -0.268 0.000 0.903 33 L HN 0.349 nan 8.230 nan 0.000 0.435 34 K N -1.342 119.080 120.400 0.037 0.000 2.063 34 K HA -0.296 4.029 4.320 0.008 0.000 0.208 34 K C 2.138 178.798 176.600 0.100 0.000 1.048 34 K CA 2.117 58.435 56.287 0.052 0.000 0.928 34 K CB -0.675 31.869 32.500 0.073 0.000 0.713 34 K HN 0.523 nan 8.250 nan 0.000 0.442 35 W N 1.090 122.376 121.300 -0.023 0.000 2.358 35 W HA -0.182 4.486 4.660 0.013 0.000 0.303 35 W C 1.961 178.474 176.519 -0.009 0.000 1.208 35 W CA 2.335 59.671 57.345 -0.014 0.000 1.274 35 W CB -0.463 28.989 29.460 -0.013 0.000 1.138 35 W HN 0.196 nan 8.180 nan 0.000 0.515 36 A N -0.099 122.752 122.820 0.052 0.000 1.902 36 A HA -0.184 4.141 4.320 0.008 0.000 0.217 36 A C 2.024 179.481 177.584 -0.211 0.000 1.181 36 A CA 2.349 54.271 52.037 -0.191 0.000 0.623 36 A CB -1.210 17.879 19.000 0.148 0.000 0.818 36 A HN 0.217 nan 8.150 nan 0.000 0.443 37 V N 0.031 119.872 119.914 -0.122 0.000 2.358 37 V HA -0.237 3.888 4.120 0.008 0.000 0.246 37 V C 2.388 178.402 176.094 -0.134 0.000 1.047 37 V CA 2.179 64.417 62.300 -0.104 0.000 1.035 37 V CB -0.770 31.011 31.823 -0.070 0.000 0.658 37 V HN 0.625 nan 8.190 nan 0.000 0.452 38 E N -0.442 119.668 120.200 -0.150 0.000 2.150 38 E HA -0.165 4.190 4.350 0.008 0.000 0.193 38 E C 2.060 178.529 176.600 -0.219 0.000 0.985 38 E CA 1.038 57.352 56.400 -0.145 0.000 0.814 38 E CB -0.124 29.519 29.700 -0.095 0.000 0.752 38 E HN 0.427 nan 8.360 nan 0.000 0.466 39 M N 0.236 119.598 119.600 -0.395 0.000 2.619 39 M HA -0.001 4.484 4.480 0.008 0.000 0.251 39 M C 0.524 176.654 176.300 -0.283 0.000 1.106 39 M CA 0.495 55.537 55.300 -0.430 0.000 1.086 39 M CB -0.780 31.321 32.600 -0.831 0.000 1.465 39 M HN 0.027 nan 8.290 nan 0.000 0.506 40 N N 0.528 119.102 118.700 -0.210 0.000 2.776 40 N HA -0.185 4.560 4.740 0.008 0.000 0.249 40 N C 0.388 175.835 175.510 -0.105 0.000 1.111 40 N CA 0.361 53.337 53.050 -0.123 0.000 0.711 40 N CB -1.517 36.915 38.487 -0.092 0.000 1.065 40 N HN 0.435 nan 8.380 nan 0.000 0.556 41 I N -0.084 120.402 120.570 -0.140 0.000 2.226 41 I HA -0.151 4.024 4.170 0.008 0.000 0.245 41 I C -0.657 175.493 176.117 0.055 0.000 1.100 41 I CA 1.047 62.293 61.300 -0.089 0.000 1.374 41 I CB -0.799 37.092 38.000 -0.183 0.000 1.057 41 I HN 0.188 nan 8.210 nan 0.000 0.413 42 P HA -0.129 nan 4.420 nan 0.000 0.215 42 P C 1.146 178.503 177.300 0.096 0.000 1.157 42 P CA 1.420 64.620 63.100 0.167 0.000 0.868 42 P CB -0.078 31.684 31.700 0.103 0.000 0.788 43 N N -0.750 117.977 118.700 0.046 0.000 2.188 43 N HA -0.071 4.674 4.740 0.008 0.000 0.184 43 N C 1.812 177.344 175.510 0.037 0.000 1.018 43 N CA 0.991 54.062 53.050 0.035 0.000 0.858 43 N CB -0.681 37.813 38.487 0.012 0.000 0.989 43 N HN 0.189 nan 8.380 nan 0.000 0.426 44 I N 1.135 121.714 120.570 0.016 0.000 2.226 44 I HA -0.230 3.945 4.170 0.008 0.000 0.245 44 I C 2.025 178.168 176.117 0.042 0.000 1.100 44 I CA 0.962 62.265 61.300 0.006 0.000 1.374 44 I CB -0.132 37.842 38.000 -0.044 0.000 1.057 44 I HN 0.043 nan 8.210 nan 0.000 0.413 45 I N 0.044 120.653 120.570 0.064 0.000 2.252 45 I HA -0.301 3.874 4.170 0.008 0.000 0.245 45 I C 2.641 178.846 176.117 0.146 0.000 1.102 45 I CA 1.131 62.501 61.300 0.116 0.000 1.385 45 I CB -0.351 37.743 38.000 0.157 0.000 1.064 45 I HN 0.272 nan 8.210 nan 0.000 0.414 46 Q N 1.732 121.601 119.800 0.115 0.000 2.061 46 Q HA -0.235 4.110 4.340 0.008 0.000 0.204 46 Q C 1.677 177.730 176.000 0.089 0.000 0.984 46 Q CA 2.130 57.990 55.803 0.094 0.000 0.846 46 Q CB -0.434 28.347 28.738 0.072 0.000 0.902 46 Q HN 0.527 nan 8.270 nan 0.000 0.421 47 N N -1.312 117.440 118.700 0.087 0.000 2.309 47 N HA -0.167 4.578 4.740 0.008 0.000 0.182 47 N C 1.449 177.029 175.510 0.117 0.000 1.018 47 N CA 0.745 53.842 53.050 0.079 0.000 0.876 47 N CB -0.201 38.323 38.487 0.062 0.000 0.972 47 N HN 0.336 nan 8.380 nan 0.000 0.434 48 H N 0.133 119.218 119.070 0.024 0.000 2.457 48 H HA 0.018 4.578 4.556 0.006 0.000 0.294 48 H C 1.530 176.872 175.328 0.023 0.000 1.064 48 H CA 1.564 57.626 56.048 0.023 0.000 1.330 48 H CB -0.349 29.429 29.762 0.028 0.000 1.395 48 H HN 0.294 nan 8.280 nan 0.000 0.541 49 G N -0.258 108.580 108.800 0.063 0.000 2.184 49 G HA2 -0.320 3.645 3.960 0.008 0.000 0.264 49 G HA3 -0.320 3.645 3.960 0.008 0.000 0.264 49 G C 0.168 175.060 174.900 -0.013 0.000 0.975 49 G CA 0.768 45.867 45.100 -0.002 0.000 0.642 49 G HN 0.812 nan 8.290 nan 0.000 0.536 50 K N -1.527 118.883 120.400 0.018 0.000 2.571 50 K HA 0.654 4.979 4.320 0.008 0.000 0.289 50 K C -3.454 173.256 176.600 0.182 0.000 1.028 50 K CA -2.052 54.264 56.287 0.048 0.000 0.895 50 K CB 1.149 33.623 32.500 -0.043 0.000 1.534 50 K HN -0.058 nan 8.250 nan 0.000 0.421 51 P HA 0.092 nan 4.420 nan 0.000 0.268 51 P C -0.805 176.611 177.300 0.193 0.000 1.204 51 P CA -0.125 63.064 63.100 0.148 0.000 0.768 51 P CB 0.416 32.162 31.700 0.077 0.000 0.842 52 I N 2.106 122.752 120.570 0.127 0.000 2.385 52 I HA 0.201 4.376 4.170 0.008 0.000 0.294 52 I C 0.418 176.509 176.117 -0.043 0.000 0.988 52 I CA -0.447 60.848 61.300 -0.009 0.000 1.265 52 I CB 1.028 38.897 38.000 -0.217 0.000 1.388 52 I HN 0.385 nan 8.210 nan 0.000 0.480 53 S N 6.291 121.964 115.700 -0.046 0.000 2.585 53 S HA 0.052 4.527 4.470 0.008 0.000 0.273 53 S C 0.915 175.499 174.600 -0.027 0.000 1.339 53 S CA -0.642 57.513 58.200 -0.075 0.000 1.028 53 S CB 1.414 64.597 63.200 -0.029 0.000 0.906 53 S HN 0.753 nan 8.310 nan 0.000 0.528 54 L N 2.394 123.608 121.223 -0.015 0.000 2.079 54 L HA -0.103 4.242 4.340 0.008 0.000 0.210 54 L C 2.600 179.507 176.870 0.062 0.000 1.081 54 L CA 2.561 57.481 54.840 0.134 0.000 0.752 54 L CB -1.236 40.908 42.059 0.143 0.000 0.896 54 L HN 1.000 nan 8.230 nan 0.000 0.433 55 S N -1.308 114.405 115.700 0.023 0.000 2.383 55 S HA -0.191 4.284 4.470 0.008 0.000 0.227 55 S C 1.815 176.416 174.600 0.002 0.000 1.026 55 S CA 1.482 59.691 58.200 0.015 0.000 0.981 55 S CB -1.145 62.061 63.200 0.010 0.000 0.818 55 S HN 0.670 nan 8.310 nan 0.000 0.472 56 N N 1.072 119.763 118.700 -0.015 0.000 2.188 56 N HA 0.021 4.766 4.740 0.008 0.000 0.184 56 N C 1.717 177.184 175.510 -0.072 0.000 1.018 56 N CA 1.031 54.053 53.050 -0.047 0.000 0.858 56 N CB -0.270 38.165 38.487 -0.087 0.000 0.989 56 N HN 0.259 nan 8.380 nan 0.000 0.426 57 L N 1.294 122.482 121.223 -0.058 0.000 1.994 57 L HA -0.109 4.236 4.340 0.008 0.000 0.208 57 L C 2.161 179.013 176.870 -0.030 0.000 1.071 57 L CA 1.429 56.237 54.840 -0.054 0.000 0.745 57 L CB -0.724 41.333 42.059 -0.002 0.000 0.892 57 L HN 0.131 nan 8.230 nan 0.000 0.431 58 V N -3.644 116.272 119.914 0.004 0.000 2.809 58 V HA -0.121 4.004 4.120 0.008 0.000 0.256 58 V C 2.419 178.514 176.094 0.001 0.000 1.080 58 V CA 1.657 63.964 62.300 0.012 0.000 1.102 58 V CB -0.980 30.863 31.823 0.033 0.000 0.705 58 V HN 0.519 nan 8.190 nan 0.000 0.475 59 S N 0.560 116.257 115.700 -0.006 0.000 2.345 59 S HA -0.046 4.429 4.470 0.008 0.000 0.220 59 S C 1.866 176.458 174.600 -0.014 0.000 1.031 59 S CA 1.807 60.004 58.200 -0.006 0.000 0.996 59 S CB -0.458 62.739 63.200 -0.005 0.000 0.882 59 S HN 0.647 nan 8.310 nan 0.000 0.445 60 I N 1.480 122.033 120.570 -0.028 0.000 2.226 60 I HA -0.185 3.990 4.170 0.008 0.000 0.245 60 I C 2.021 178.118 176.117 -0.034 0.000 1.100 60 I CA 1.156 62.436 61.300 -0.033 0.000 1.374 60 I CB -0.378 37.591 38.000 -0.052 0.000 1.057 60 I HN 0.314 nan 8.210 nan 0.000 0.413 61 L N -0.159 121.041 121.223 -0.038 0.000 2.291 61 L HA -0.115 4.230 4.340 0.008 0.000 0.214 61 L C 0.763 177.623 176.870 -0.017 0.000 1.120 61 L CA 0.382 55.199 54.840 -0.038 0.000 0.799 61 L CB -0.380 41.654 42.059 -0.041 0.000 0.925 61 L HN 0.347 nan 8.230 nan 0.000 0.446 62 Q N -0.047 119.749 119.800 -0.007 0.000 2.475 62 Q HA -0.153 4.192 4.340 0.008 0.000 0.280 62 Q C -0.200 175.806 176.000 0.011 0.000 1.234 62 Q CA 0.864 56.668 55.803 0.001 0.000 0.873 62 Q CB -2.378 26.359 28.738 -0.002 0.000 1.256 62 Q HN 0.460 nan 8.270 nan 0.000 0.475 63 V N -1.418 118.509 119.914 0.020 0.000 2.881 63 V HA 0.617 4.742 4.120 0.008 0.000 0.303 63 V C -1.247 174.863 176.094 0.027 0.000 1.070 63 V CA -1.424 60.897 62.300 0.035 0.000 1.074 63 V CB 0.450 32.308 31.823 0.060 0.000 1.012 63 V HN 0.044 nan 8.190 nan 0.000 0.482 64 P HA 0.164 nan 4.420 nan 0.000 0.272 64 P C 0.946 178.258 177.300 0.019 0.000 1.223 64 P CA 0.253 63.365 63.100 0.019 0.000 0.784 64 P CB 1.177 32.888 31.700 0.017 0.000 0.923 65 S N 0.960 116.669 115.700 0.015 0.000 2.400 65 S HA -0.185 4.290 4.470 0.008 0.000 0.232 65 S C 1.825 176.432 174.600 0.012 0.000 1.025 65 S CA 1.481 59.689 58.200 0.014 0.000 0.993 65 S CB -1.451 61.755 63.200 0.011 0.000 0.808 65 S HN 0.614 nan 8.310 nan 0.000 0.478 66 S N 1.291 116.997 115.700 0.009 0.000 2.469 66 S HA 0.082 4.557 4.470 0.008 0.000 0.238 66 S C 1.452 176.054 174.600 0.003 0.000 0.998 66 S CA 0.444 58.647 58.200 0.005 0.000 0.957 66 S CB -0.248 62.954 63.200 0.003 0.000 0.764 66 S HN 0.406 nan 8.310 nan 0.000 0.514 67 K N 0.375 120.782 120.400 0.011 0.000 2.374 67 K HA 0.439 4.764 4.320 0.008 0.000 0.202 67 K C 1.350 177.962 176.600 0.020 0.000 1.040 67 K CA -0.115 56.179 56.287 0.011 0.000 1.085 67 K CB -0.101 32.413 32.500 0.023 0.000 0.873 67 K HN 0.423 nan 8.250 nan 0.000 0.539 68 I N 0.591 121.176 120.570 0.024 0.000 2.163 68 I HA -0.231 3.944 4.170 0.008 0.000 0.243 68 I C 2.258 178.391 176.117 0.026 0.000 1.085 68 I CA 1.728 63.048 61.300 0.033 0.000 1.347 68 I CB -0.453 37.565 38.000 0.031 0.000 1.044 68 I HN 0.200 nan 8.210 nan 0.000 0.408 69 G N 0.695 109.502 108.800 0.011 0.000 2.450 69 G HA2 -0.241 3.724 3.960 0.008 0.000 0.220 69 G HA3 -0.241 3.724 3.960 0.008 0.000 0.220 69 G C 1.448 176.336 174.900 -0.021 0.000 1.130 69 G CA 0.664 45.766 45.100 0.003 0.000 0.760 69 G HN 0.340 nan 8.290 nan 0.000 0.557 70 N N 0.312 118.989 118.700 -0.039 0.000 2.188 70 N HA -0.083 4.662 4.740 0.008 0.000 0.184 70 N C 2.330 177.765 175.510 -0.125 0.000 1.018 70 N CA 0.999 53.991 53.050 -0.096 0.000 0.858 70 N CB -0.146 38.279 38.487 -0.103 0.000 0.989 70 N HN 0.194 nan 8.380 nan 0.000 0.426 71 V N 1.725 121.622 119.914 -0.029 0.000 2.295 71 V HA -0.194 3.931 4.120 0.008 0.000 0.246 71 V C 2.613 178.705 176.094 -0.003 0.000 1.049 71 V CA 1.442 63.770 62.300 0.046 0.000 1.024 71 V CB -0.463 31.451 31.823 0.151 0.000 0.648 71 V HN 0.293 nan 8.190 nan 0.000 0.447 72 R N -0.036 120.475 120.500 0.018 0.000 2.091 72 R HA -0.188 4.157 4.340 0.008 0.000 0.238 72 R C 2.516 178.824 176.300 0.014 0.000 1.136 72 R CA 1.769 57.898 56.100 0.049 0.000 0.959 72 R CB -0.165 30.186 30.300 0.085 0.000 0.856 72 R HN 0.424 nan 8.270 nan 0.000 0.437 73 R N 0.067 120.550 120.500 -0.029 0.000 2.081 73 R HA -0.073 4.273 4.340 0.008 0.000 0.235 73 R C 2.387 178.656 176.300 -0.052 0.000 1.131 73 R CA 1.396 57.474 56.100 -0.037 0.000 0.960 73 R CB -0.284 29.969 30.300 -0.077 0.000 0.856 73 R HN 0.242 nan 8.270 nan 0.000 0.436 74 L N -0.210 120.911 121.223 -0.170 0.000 2.056 74 L HA -0.159 4.186 4.340 0.008 0.000 0.207 74 L C 2.391 179.272 176.870 0.017 0.000 1.078 74 L CA 0.878 55.586 54.840 -0.219 0.000 0.749 74 L CB -0.256 41.343 42.059 -0.766 0.000 0.901 74 L HN 0.218 nan 8.230 nan 0.000 0.433 75 M N -0.577 119.004 119.600 -0.031 0.000 2.117 75 M HA -0.188 4.297 4.480 0.008 0.000 0.262 75 M C 2.379 178.705 176.300 0.042 0.000 1.065 75 M CA 1.732 56.955 55.300 -0.128 0.000 1.114 75 M CB -1.071 31.092 32.600 -0.728 0.000 1.361 75 M HN 0.199 nan 8.290 nan 0.000 0.408 76 R N -1.445 119.115 120.500 0.101 0.000 2.115 76 R HA -0.172 4.173 4.340 0.008 0.000 0.230 76 R C 2.183 178.613 176.300 0.218 0.000 1.111 76 R CA 1.288 57.501 56.100 0.189 0.000 0.976 76 R CB -0.498 29.898 30.300 0.160 0.000 0.870 76 R HN 0.335 nan 8.270 nan 0.000 0.445 77 Y N 1.344 121.697 120.300 0.090 0.000 2.163 77 Y HA -0.150 4.405 4.550 0.008 0.000 0.288 77 Y C 1.921 177.940 175.900 0.198 0.000 1.136 77 Y CA 1.415 59.575 58.100 0.101 0.000 1.147 77 Y CB -0.138 38.331 38.460 0.014 0.000 0.987 77 Y HN -0.078 nan 8.280 nan 0.000 0.509 78 L N -0.411 121.034 121.223 0.371 0.000 2.083 78 L HA -0.205 4.140 4.340 0.008 0.000 0.209 78 L C 2.727 179.821 176.870 0.374 0.000 1.083 78 L CA 1.101 56.194 54.840 0.423 0.000 0.752 78 L CB -0.829 41.580 42.059 0.583 0.000 0.899 78 L HN 0.336 nan 8.230 nan 0.000 0.433 79 A N -1.012 122.031 122.820 0.371 0.000 1.898 79 A HA -0.275 4.050 4.320 0.008 0.000 0.216 79 A C 2.303 179.958 177.584 0.119 0.000 1.181 79 A CA 1.601 53.819 52.037 0.301 0.000 0.620 79 A CB -0.919 18.285 19.000 0.339 0.000 0.819 79 A HN 0.504 nan 8.150 nan 0.000 0.442 80 H N 0.097 119.180 119.070 0.021 0.000 2.422 80 H HA -0.096 4.465 4.556 0.009 0.000 0.298 80 H C 1.181 176.434 175.328 -0.125 0.000 1.098 80 H CA 1.608 57.619 56.048 -0.063 0.000 1.315 80 H CB -0.026 29.672 29.762 -0.105 0.000 1.382 80 H HN 0.369 nan 8.280 nan 0.000 0.523 81 N N -0.128 118.469 118.700 -0.171 0.000 2.512 81 N HA -0.034 4.711 4.740 0.008 0.000 0.183 81 N C 1.274 176.539 175.510 -0.408 0.000 1.073 81 N CA 1.108 54.023 53.050 -0.226 0.000 0.911 81 N CB 0.260 38.747 38.487 0.001 0.000 0.964 81 N HN 0.651 nan 8.380 nan 0.000 0.447 82 G N -0.675 107.904 108.800 -0.368 0.000 2.168 82 G HA2 -0.229 3.736 3.960 0.008 0.000 0.197 82 G HA3 -0.229 3.736 3.960 0.008 0.000 0.197 82 G C 0.528 175.066 174.900 -0.602 0.000 0.997 82 G CA -0.233 44.580 45.100 -0.479 0.000 0.658 82 G HN 0.330 nan 8.290 nan 0.000 0.513 83 F N -0.291 119.538 119.950 -0.203 0.000 2.754 83 F HA 0.565 5.095 4.527 0.005 0.000 0.297 83 F C 0.860 176.176 175.800 -0.807 0.000 1.122 83 F CA 0.265 57.984 58.000 -0.468 0.000 1.400 83 F CB 0.247 38.928 39.000 -0.532 0.000 1.117 83 F HN 0.113 nan 8.300 nan 0.000 0.587 84 F N -0.822 119.219 119.950 0.152 0.000 2.645 84 F HA 0.299 4.830 4.527 0.006 0.000 0.310 84 F C -0.406 175.465 175.800 0.118 0.000 1.102 84 F CA -1.379 56.711 58.000 0.151 0.000 0.952 84 F CB 1.459 40.570 39.000 0.185 0.000 1.326 84 F HN -0.410 nan 8.300 nan 0.000 0.456 85 E N 2.627 123.022 120.200 0.325 0.000 2.158 85 E HA 0.496 4.851 4.350 0.008 0.000 0.271 85 E C -1.280 175.454 176.600 0.224 0.000 0.911 85 E CA -0.477 56.045 56.400 0.202 0.000 0.767 85 E CB 1.263 31.037 29.700 0.123 0.000 1.120 85 E HN 0.546 nan 8.360 nan 0.000 0.405 86 I N 5.725 126.407 120.570 0.186 0.000 2.395 86 I HA 0.244 4.419 4.170 0.008 0.000 0.289 86 I C 0.028 176.167 176.117 0.037 0.000 1.023 86 I CA -0.333 61.038 61.300 0.119 0.000 1.350 86 I CB 0.815 38.897 38.000 0.136 0.000 1.409 86 I HN 0.452 nan 8.210 nan 0.000 0.507 87 I N 5.592 126.145 120.570 -0.028 0.000 2.436 87 I HA 0.299 4.474 4.170 0.008 0.000 0.289 87 I C -0.417 175.663 176.117 -0.062 0.000 1.010 87 I CA -0.327 60.958 61.300 -0.026 0.000 1.098 87 I CB 2.038 40.030 38.000 -0.013 0.000 1.266 87 I HN 0.482 nan 8.210 nan 0.000 0.434 88 T N 6.376 120.908 114.554 -0.037 0.000 2.807 88 T HA 0.558 4.913 4.350 0.008 0.000 0.279 88 T C -0.004 174.679 174.700 -0.028 0.000 0.993 88 T CA -0.727 61.348 62.100 -0.042 0.000 0.970 88 T CB 1.848 70.701 68.868 -0.025 0.000 0.950 88 T HN 0.509 nan 8.240 nan 0.000 0.441 89 K N 1.604 121.986 120.400 -0.031 0.000 1.797 89 K HA 0.358 4.683 4.320 0.008 0.000 0.307 89 K C 1.114 177.702 176.600 -0.020 0.000 0.922 89 K CA -0.652 55.623 56.287 -0.020 0.000 0.513 89 K CB -0.049 32.441 32.500 -0.018 0.000 3.368 89 K HN 0.205 nan 8.250 nan 0.000 1.198 90 E N 1.701 121.891 120.200 -0.017 0.000 2.204 90 E HA -0.062 4.293 4.350 0.008 0.000 0.195 90 E C -0.148 176.440 176.600 -0.020 0.000 0.990 90 E CA 1.404 57.796 56.400 -0.014 0.000 0.821 90 E CB 0.288 29.983 29.700 -0.009 0.000 0.750 90 E HN 0.311 nan 8.360 nan 0.000 0.477 91 E N -0.467 119.713 120.200 -0.033 0.000 2.445 91 E HA 0.273 4.628 4.350 0.008 0.000 0.273 91 E C -0.856 175.693 176.600 -0.085 0.000 0.961 91 E CA -0.661 55.710 56.400 -0.048 0.000 0.807 91 E CB 1.761 31.433 29.700 -0.047 0.000 1.362 91 E HN -0.103 nan 8.360 nan 0.000 0.453 92 E N 0.689 120.816 120.200 -0.122 0.000 2.259 92 E HA 0.301 4.656 4.350 0.008 0.000 0.281 92 E C -1.190 175.165 176.600 -0.409 0.000 1.027 92 E CA -0.107 56.160 56.400 -0.220 0.000 0.838 92 E CB 0.934 30.521 29.700 -0.188 0.000 1.066 92 E HN 0.267 nan 8.360 nan 0.000 0.401 93 S N 2.865 118.293 115.700 -0.454 0.000 2.600 93 S HA 0.474 4.949 4.470 0.008 0.000 0.300 93 S C -1.501 172.726 174.600 -0.622 0.000 1.087 93 S CA -0.575 57.332 58.200 -0.488 0.000 0.965 93 S CB 0.751 63.847 63.200 -0.173 0.000 1.089 93 S HN 0.441 nan 8.310 nan 0.000 0.496 94 Y N 0.643 120.945 120.300 0.003 0.000 2.350 94 Y HA 0.667 5.221 4.550 0.007 0.000 0.338 94 Y C 0.217 176.165 175.900 0.080 0.000 0.961 94 Y CA -0.883 57.223 58.100 0.010 0.000 1.100 94 Y CB 1.431 39.794 38.460 -0.162 0.000 1.179 94 Y HN 0.746 nan 8.280 nan 0.000 0.454 95 A N 3.876 126.873 122.820 0.295 0.000 2.337 95 A HA 0.769 5.094 4.320 0.008 0.000 0.331 95 A C -0.649 177.144 177.584 0.349 0.000 1.137 95 A CA -0.809 51.382 52.037 0.257 0.000 0.807 95 A CB 0.819 19.916 19.000 0.160 0.000 1.250 95 A HN 0.839 nan 8.150 nan 0.000 0.468 96 L N 0.996 122.386 121.223 0.278 0.000 2.476 96 L HA 0.372 4.717 4.340 0.008 0.000 0.264 96 L C 1.195 178.135 176.870 0.118 0.000 1.224 96 L CA 0.097 55.070 54.840 0.222 0.000 0.821 96 L CB 0.660 42.810 42.059 0.152 0.000 1.101 96 L HN 0.966 nan 8.230 nan 0.000 0.488 97 T N -2.756 111.819 114.554 0.035 0.000 2.858 97 T HA 0.351 4.706 4.350 0.008 0.000 0.285 97 T C 0.875 175.564 174.700 -0.018 0.000 1.052 97 T CA -0.858 61.236 62.100 -0.010 0.000 1.009 97 T CB 1.387 70.208 68.868 -0.078 0.000 1.241 97 T HN 0.148 nan 8.240 nan 0.000 0.542 98 V N 1.039 120.935 119.914 -0.031 0.000 2.407 98 V HA -0.074 4.051 4.120 0.008 0.000 0.248 98 V C 3.098 179.183 176.094 -0.015 0.000 1.055 98 V CA 2.318 64.607 62.300 -0.018 0.000 1.049 98 V CB -1.614 30.194 31.823 -0.024 0.000 0.662 98 V HN 1.040 nan 8.190 nan 0.000 0.455 99 A N 0.844 123.633 122.820 -0.051 0.000 1.898 99 A HA -0.167 4.158 4.320 0.008 0.000 0.216 99 A C 2.463 180.103 177.584 0.093 0.000 1.181 99 A CA 2.047 54.079 52.037 -0.008 0.000 0.620 99 A CB -0.623 18.265 19.000 -0.186 0.000 0.819 99 A HN 0.676 nan 8.150 nan 0.000 0.442 100 S N -0.392 115.332 115.700 0.039 0.000 2.527 100 S HA -0.019 4.456 4.470 0.008 0.000 0.222 100 S C 1.367 175.984 174.600 0.028 0.000 0.985 100 S CA 0.890 59.098 58.200 0.014 0.000 0.921 100 S CB -0.232 62.853 63.200 -0.192 0.000 0.772 100 S HN 0.657 nan 8.310 nan 0.000 0.529 101 E N 1.281 121.500 120.200 0.032 0.000 2.268 101 E HA 0.057 4.412 4.350 0.008 0.000 0.195 101 E C 1.423 178.046 176.600 0.038 0.000 0.995 101 E CA 0.685 57.108 56.400 0.039 0.000 0.836 101 E CB -0.370 29.350 29.700 0.033 0.000 0.763 101 E HN 0.546 nan 8.360 nan 0.000 0.491 102 L N 0.480 121.730 121.223 0.044 0.000 2.549 102 L HA -0.089 4.256 4.340 0.008 0.000 0.229 102 L C 1.619 178.513 176.870 0.040 0.000 1.158 102 L CA 0.512 55.381 54.840 0.048 0.000 0.842 102 L CB -0.008 42.091 42.059 0.066 0.000 0.952 102 L HN 0.165 nan 8.230 nan 0.000 0.452 103 L N -1.376 119.866 121.223 0.032 0.000 2.693 103 L HA 0.180 4.525 4.340 0.008 0.000 0.235 103 L C 0.238 177.120 176.870 0.020 0.000 1.127 103 L CA -0.313 54.536 54.840 0.016 0.000 0.914 103 L CB 0.592 42.649 42.059 -0.004 0.000 1.193 103 L HN -0.117 nan 8.230 nan 0.000 0.502 104 V N 1.390 121.322 119.914 0.029 0.000 2.461 104 V HA 0.207 4.332 4.120 0.008 0.000 0.275 104 V C 0.725 176.833 176.094 0.023 0.000 1.047 104 V CA -0.602 61.716 62.300 0.031 0.000 0.955 104 V CB 1.032 32.879 31.823 0.041 0.000 0.988 104 V HN 0.299 nan 8.190 nan 0.000 0.471 105 R N 3.300 123.811 120.500 0.018 0.000 2.640 105 R HA 0.275 4.620 4.340 0.008 0.000 0.270 105 R C 1.430 177.740 176.300 0.016 0.000 1.024 105 R CA 0.814 56.922 56.100 0.014 0.000 1.085 105 R CB 0.065 30.371 30.300 0.009 0.000 0.963 105 R HN 1.128 nan 8.270 nan 0.000 0.426 106 G N 1.155 109.964 108.800 0.015 0.000 2.175 106 G HA2 -0.361 3.604 3.960 0.008 0.000 0.265 106 G HA3 -0.361 3.604 3.960 0.008 0.000 0.265 106 G C 0.281 175.191 174.900 0.017 0.000 0.979 106 G CA 0.735 45.844 45.100 0.015 0.000 0.663 106 G HN 0.750 nan 8.290 nan 0.000 0.533 107 S N -0.575 115.137 115.700 0.020 0.000 2.608 107 S HA 0.415 4.890 4.470 0.008 0.000 0.261 107 S C 1.154 175.766 174.600 0.021 0.000 1.314 107 S CA 0.801 59.014 58.200 0.022 0.000 0.992 107 S CB 1.177 64.393 63.200 0.026 0.000 0.935 107 S HN 0.135 nan 8.310 nan 0.000 0.564 108 D N -0.137 120.275 120.400 0.020 0.000 2.106 108 D HA -0.010 4.635 4.640 0.008 0.000 0.191 108 D C 0.278 176.592 176.300 0.024 0.000 0.997 108 D CA 1.545 55.557 54.000 0.019 0.000 0.834 108 D CB -0.135 40.675 40.800 0.017 0.000 0.956 108 D HN 0.389 nan 8.370 nan 0.000 0.448 109 L N 0.293 121.533 121.223 0.029 0.000 2.345 109 L HA 0.369 4.714 4.340 0.008 0.000 0.274 109 L C -1.614 175.279 176.870 0.037 0.000 0.999 109 L CA -0.771 54.091 54.840 0.036 0.000 0.849 109 L CB 1.501 43.585 42.059 0.042 0.000 1.220 109 L HN 0.008 nan 8.230 nan 0.000 0.422 110 C N 6.342 125.663 119.300 0.034 0.000 2.293 110 C HA 0.490 4.955 4.460 0.008 0.000 0.323 110 C C 0.882 175.891 174.990 0.031 0.000 1.240 110 C CA -0.658 58.378 59.018 0.031 0.000 1.497 110 C CB -0.194 27.559 27.740 0.023 0.000 2.171 110 C HN 0.936 nan 8.230 nan 0.000 0.465 111 L N 5.269 126.513 121.223 0.034 0.000 2.700 111 L HA 0.235 4.581 4.340 0.008 0.000 0.234 111 L C 2.203 179.083 176.870 0.017 0.000 1.156 111 L CA 0.312 55.172 54.840 0.033 0.000 0.946 111 L CB -0.307 41.782 42.059 0.051 0.000 1.216 111 L HN 0.855 nan 8.230 nan 0.000 0.493 112 A N 1.237 124.062 122.820 0.009 0.000 1.940 112 A HA -0.081 4.244 4.320 0.008 0.000 0.219 112 A C -0.232 177.349 177.584 -0.005 0.000 1.176 112 A CA 1.441 53.475 52.037 -0.006 0.000 0.631 112 A CB -1.305 17.688 19.000 -0.011 0.000 0.814 112 A HN 0.267 nan 8.150 nan 0.000 0.446 113 P HA -0.114 nan 4.420 nan 0.000 0.222 113 P C 1.646 178.947 177.300 0.003 0.000 1.147 113 P CA 1.092 64.191 63.100 -0.001 0.000 0.790 113 P CB -0.110 31.589 31.700 -0.002 0.000 0.780 114 M N -0.982 118.620 119.600 0.003 0.000 2.156 114 M HA -0.116 4.369 4.480 0.008 0.000 0.264 114 M C 1.659 177.965 176.300 0.011 0.000 1.067 114 M CA 1.606 56.910 55.300 0.006 0.000 1.131 114 M CB -0.391 32.213 32.600 0.007 0.000 1.368 114 M HN -0.241 nan 8.290 nan 0.000 0.416 115 V N 0.812 120.726 119.914 0.000 0.000 2.287 115 V HA -0.285 3.840 4.120 0.008 0.000 0.248 115 V C 2.061 178.157 176.094 0.003 0.000 1.053 115 V CA 2.154 64.449 62.300 -0.008 0.000 1.027 115 V CB -0.881 30.923 31.823 -0.031 0.000 0.646 115 V HN 0.526 nan 8.190 nan 0.000 0.447 116 E N -1.017 119.185 120.200 0.002 0.000 2.106 116 E HA -0.226 4.129 4.350 0.008 0.000 0.192 116 E C 2.282 178.895 176.600 0.022 0.000 0.984 116 E CA 1.506 57.909 56.400 0.004 0.000 0.806 116 E CB -0.357 29.338 29.700 -0.009 0.000 0.750 116 E HN 0.684 nan 8.360 nan 0.000 0.458 117 C N 0.664 119.989 119.300 0.042 0.000 2.436 117 C HA -0.108 4.357 4.460 0.008 0.000 0.277 117 C C 2.737 177.799 174.990 0.120 0.000 1.241 117 C CA 0.697 59.771 59.018 0.093 0.000 1.721 117 C CB -0.801 27.015 27.740 0.127 0.000 2.043 117 C HN 0.183 nan 8.230 nan 0.000 0.472 118 V N 1.389 121.360 119.914 0.095 0.000 2.407 118 V HA -0.147 3.978 4.120 0.008 0.000 0.248 118 V C 2.075 178.213 176.094 0.074 0.000 1.055 118 V CA 1.893 64.247 62.300 0.090 0.000 1.049 118 V CB -0.609 31.235 31.823 0.035 0.000 0.662 118 V HN 0.616 nan 8.190 nan 0.000 0.455 119 L N 0.385 121.639 121.223 0.052 0.000 2.645 119 L HA 0.181 4.526 4.340 0.008 0.000 0.234 119 L C 0.596 177.502 176.870 0.060 0.000 1.165 119 L CA -0.218 54.651 54.840 0.049 0.000 0.944 119 L CB -0.612 41.469 42.059 0.036 0.000 1.149 119 L HN 0.332 nan 8.230 nan 0.000 0.446 120 D N 0.732 121.175 120.400 0.073 0.000 2.488 120 D HA -0.025 4.620 4.640 0.008 0.000 0.238 120 D C -1.436 174.920 176.300 0.093 0.000 1.138 120 D CA -0.998 53.046 54.000 0.074 0.000 0.873 120 D CB 1.232 42.104 40.800 0.120 0.000 1.183 120 D HN -0.104 nan 8.370 nan 0.000 0.458 121 P HA -0.110 nan 4.420 nan 0.000 0.217 121 P C 0.994 178.343 177.300 0.082 0.000 1.150 121 P CA 1.175 64.322 63.100 0.080 0.000 0.832 121 P CB 0.185 31.923 31.700 0.063 0.000 0.787 122 T N -0.530 114.081 114.554 0.096 0.000 2.812 122 T HA -0.014 4.341 4.350 0.008 0.000 0.264 122 T C 1.740 176.411 174.700 -0.049 0.000 1.042 122 T CA 0.961 63.078 62.100 0.027 0.000 1.140 122 T CB -0.784 68.108 68.868 0.041 0.000 0.870 122 T HN 0.034 nan 8.240 nan 0.000 0.445 123 L N 1.549 122.758 121.223 -0.024 0.000 2.005 123 L HA -0.082 4.263 4.340 0.008 0.000 0.207 123 L C 2.990 179.974 176.870 0.190 0.000 1.072 123 L CA 1.624 56.398 54.840 -0.110 0.000 0.744 123 L CB -0.920 41.102 42.059 -0.062 0.000 0.895 123 L HN 0.376 nan 8.230 nan 0.000 0.433 124 S N 0.028 115.840 115.700 0.187 0.000 2.402 124 S HA -0.088 4.387 4.470 0.008 0.000 0.229 124 S C 2.047 176.795 174.600 0.247 0.000 1.021 124 S CA 0.843 59.169 58.200 0.210 0.000 0.974 124 S CB -0.949 62.298 63.200 0.080 0.000 0.800 124 S HN 0.423 nan 8.310 nan 0.000 0.484 125 G N 1.172 110.083 108.800 0.185 0.000 2.470 125 G HA2 -0.091 3.874 3.960 0.008 0.000 0.220 125 G HA3 -0.091 3.874 3.960 0.008 0.000 0.220 125 G C 1.441 176.478 174.900 0.228 0.000 1.121 125 G CA 0.811 46.052 45.100 0.234 0.000 0.766 125 G HN 0.582 nan 8.290 nan 0.000 0.553 126 S N -0.070 115.718 115.700 0.147 0.000 2.442 126 S HA -0.091 4.384 4.470 0.008 0.000 0.236 126 S C 1.712 176.263 174.600 -0.082 0.000 1.007 126 S CA 0.610 58.818 58.200 0.012 0.000 0.965 126 S CB -0.344 62.843 63.200 -0.022 0.000 0.773 126 S HN 0.547 nan 8.310 nan 0.000 0.504 127 Y N 0.653 120.923 120.300 -0.051 0.000 2.583 127 Y HA 0.048 4.603 4.550 0.009 0.000 0.293 127 Y C 2.161 177.978 175.900 -0.137 0.000 1.157 127 Y CA 0.268 58.288 58.100 -0.133 0.000 1.315 127 Y CB -0.420 37.939 38.460 -0.168 0.000 1.021 127 Y HN 0.406 nan 8.280 nan 0.000 0.536 128 H N -0.118 118.986 119.070 0.057 0.000 2.524 128 H HA -0.018 4.543 4.556 0.008 0.000 0.282 128 H C 0.710 176.047 175.328 0.014 0.000 1.016 128 H CA 1.020 57.080 56.048 0.020 0.000 1.270 128 H CB 0.417 30.173 29.762 -0.009 0.000 1.394 128 H HN 0.357 nan 8.280 nan 0.000 0.568 129 E N 0.759 121.018 120.200 0.098 0.000 2.423 129 E HA 0.080 4.435 4.350 0.008 0.000 0.198 129 E C 1.882 178.541 176.600 0.098 0.000 1.038 129 E CA -0.166 56.281 56.400 0.078 0.000 1.011 129 E CB 0.187 29.913 29.700 0.044 0.000 1.118 129 E HN 0.433 nan 8.360 nan 0.000 0.451 130 L N 0.374 121.654 121.223 0.094 0.000 2.042 130 L HA -0.223 4.122 4.340 0.008 0.000 0.210 130 L C 2.519 179.548 176.870 0.264 0.000 1.076 130 L CA 1.477 56.443 54.840 0.209 0.000 0.749 130 L CB -0.303 41.856 42.059 0.167 0.000 0.893 130 L HN 0.125 nan 8.230 nan 0.000 0.432 131 K N 0.805 121.310 120.400 0.175 0.000 2.002 131 K HA -0.270 4.055 4.320 0.008 0.000 0.209 131 K C 2.252 178.992 176.600 0.233 0.000 1.048 131 K CA 1.808 58.204 56.287 0.181 0.000 0.930 131 K CB -0.084 32.516 32.500 0.167 0.000 0.714 131 K HN 0.054 nan 8.250 nan 0.000 0.438 132 K N -0.382 120.135 120.400 0.193 0.000 2.063 132 K HA -0.222 4.103 4.320 0.008 0.000 0.208 132 K C 2.011 178.720 176.600 0.182 0.000 1.048 132 K CA 1.856 58.248 56.287 0.176 0.000 0.928 132 K CB -0.369 32.200 32.500 0.116 0.000 0.713 132 K HN 0.414 nan 8.250 nan 0.000 0.442 133 W N 1.102 122.397 121.300 -0.008 0.000 2.388 133 W HA -0.152 4.514 4.660 0.010 0.000 0.294 133 W C 1.556 178.029 176.519 -0.076 0.000 1.212 133 W CA 0.952 58.261 57.345 -0.059 0.000 1.271 133 W CB -0.296 29.092 29.460 -0.120 0.000 1.126 133 W HN 0.117 nan 8.180 nan 0.000 0.535 134 I N -0.148 120.191 120.570 -0.385 0.000 2.756 134 I HA -0.217 3.959 4.170 0.008 0.000 0.262 134 I C 1.389 177.099 176.117 -0.679 0.000 1.225 134 I CA 1.396 62.237 61.300 -0.765 0.000 1.472 134 I CB -0.434 37.243 38.000 -0.539 0.000 1.094 134 I HN 0.022 nan 8.210 nan 0.000 0.454 135 Y N -0.047 120.110 120.300 -0.238 0.000 2.466 135 Y HA 0.188 4.743 4.550 0.008 0.000 0.272 135 Y C 0.788 176.592 175.900 -0.160 0.000 1.169 135 Y CA -0.294 57.707 58.100 -0.165 0.000 1.285 135 Y CB 0.145 38.549 38.460 -0.093 0.000 1.078 135 Y HN -0.029 nan 8.280 nan 0.000 0.523 136 E N 1.044 121.173 120.200 -0.118 0.000 2.229 136 E HA 0.043 4.398 4.350 0.008 0.000 0.283 136 E C 0.407 176.923 176.600 -0.140 0.000 1.030 136 E CA 0.018 56.366 56.400 -0.087 0.000 0.836 136 E CB 1.194 30.863 29.700 -0.052 0.000 1.068 136 E HN 0.524 nan 8.360 nan 0.000 0.401 137 E N 1.646 121.801 120.200 -0.075 0.000 2.106 137 E HA -0.157 4.198 4.350 0.008 0.000 0.192 137 E C 0.330 176.892 176.600 -0.064 0.000 0.984 137 E CA 1.074 57.429 56.400 -0.076 0.000 0.806 137 E CB 0.348 30.025 29.700 -0.039 0.000 0.750 137 E HN 0.411 nan 8.360 nan 0.000 0.458 138 D N -0.411 119.970 120.400 -0.031 0.000 2.482 138 D HA 0.096 4.741 4.640 0.008 0.000 0.251 138 D C 0.660 176.980 176.300 0.033 0.000 1.073 138 D CA -0.031 53.970 54.000 0.002 0.000 0.892 138 D CB 0.567 41.375 40.800 0.014 0.000 1.202 138 D HN 0.040 nan 8.370 nan 0.000 0.496 139 L N 2.424 123.673 121.223 0.042 0.000 2.483 139 L HA 0.072 4.417 4.340 0.008 0.000 0.276 139 L C 1.231 178.212 176.870 0.186 0.000 1.213 139 L CA 0.175 55.067 54.840 0.087 0.000 0.843 139 L CB 0.431 42.541 42.059 0.085 0.000 1.107 139 L HN 0.055 nan 8.230 nan 0.000 0.487 140 T N -0.551 114.077 114.554 0.123 0.000 2.847 140 T HA 0.184 4.539 4.350 0.008 0.000 0.279 140 T C 0.877 175.545 174.700 -0.054 0.000 0.984 140 T CA -0.817 61.324 62.100 0.070 0.000 0.988 140 T CB 1.259 70.039 68.868 -0.146 0.000 1.040 140 T HN 0.483 nan 8.240 nan 0.000 0.528 141 L N 0.269 121.109 121.223 -0.638 0.000 2.017 141 L HA 0.102 4.447 4.340 0.008 0.000 0.208 141 L C 2.319 178.993 176.870 -0.327 0.000 1.073 141 L CA 1.589 55.957 54.840 -0.786 0.000 0.745 141 L CB -1.026 40.185 42.059 -1.413 0.000 0.894 141 L HN 0.836 nan 8.230 nan 0.000 0.432 142 F N -0.566 119.083 119.950 -0.502 0.000 2.216 142 F HA -0.159 4.372 4.527 0.007 0.000 0.300 142 F C 2.327 177.946 175.800 -0.301 0.000 1.085 142 F CA 0.336 58.080 58.000 -0.427 0.000 1.326 142 F CB -0.702 38.008 39.000 -0.483 0.000 1.027 142 F HN 0.328 nan 8.300 nan 0.000 0.497 143 G N -0.068 108.713 108.800 -0.031 0.000 2.422 143 G HA2 -0.197 3.768 3.960 0.008 0.000 0.218 143 G HA3 -0.197 3.768 3.960 0.008 0.000 0.218 143 G C 1.651 176.537 174.900 -0.022 0.000 1.146 143 G CA 0.835 45.920 45.100 -0.025 0.000 0.769 143 G HN 0.211 nan 8.290 nan 0.000 0.547 144 V N 1.483 121.394 119.914 -0.005 0.000 2.358 144 V HA -0.155 3.970 4.120 0.008 0.000 0.246 144 V C 3.242 179.314 176.094 -0.036 0.000 1.047 144 V CA 2.466 64.770 62.300 0.007 0.000 1.035 144 V CB -0.561 31.293 31.823 0.052 0.000 0.658 144 V HN 0.663 nan 8.190 nan 0.000 0.452 145 T N -2.772 111.736 114.554 -0.078 0.000 3.044 145 T HA 0.132 4.487 4.350 0.008 0.000 0.255 145 T C 1.621 176.215 174.700 -0.176 0.000 1.073 145 T CA 0.532 62.564 62.100 -0.113 0.000 1.125 145 T CB -0.091 68.701 68.868 -0.126 0.000 0.908 145 T HN 0.352 nan 8.240 nan 0.000 0.480 146 L N 0.436 121.512 121.223 -0.245 0.000 2.477 146 L HA 0.424 4.769 4.340 0.008 0.000 0.220 146 L C 2.205 178.986 176.870 -0.148 0.000 1.106 146 L CA 0.523 55.164 54.840 -0.332 0.000 0.851 146 L CB -0.437 41.215 42.059 -0.678 0.000 0.994 146 L HN 0.578 nan 8.230 nan 0.000 0.462 147 G N 0.731 109.475 108.800 -0.093 0.000 2.179 147 G HA2 -0.288 3.677 3.960 0.008 0.000 0.260 147 G HA3 -0.288 3.677 3.960 0.008 0.000 0.260 147 G C 0.273 175.165 174.900 -0.014 0.000 0.977 147 G CA 0.371 45.448 45.100 -0.038 0.000 0.641 147 G HN 0.545 nan 8.290 nan 0.000 0.533 148 S N -1.704 113.985 115.700 -0.019 0.000 2.643 148 S HA 0.783 5.258 4.470 0.008 0.000 0.270 148 S C 0.290 174.893 174.600 0.004 0.000 1.166 148 S CA 0.404 58.612 58.200 0.013 0.000 0.815 148 S CB 1.211 64.438 63.200 0.045 0.000 1.139 148 S HN 1.780 nan 8.310 nan 0.000 0.472 149 G N -0.090 108.728 108.800 0.030 0.000 2.606 149 G HA2 0.403 4.368 3.960 0.008 0.000 0.252 149 G HA3 0.403 4.368 3.960 0.008 0.000 0.252 149 G C 0.232 175.130 174.900 -0.004 0.000 1.206 149 G CA -0.489 44.625 45.100 0.023 0.000 0.861 149 G HN 0.729 nan 8.290 nan 0.000 0.561 150 F N -0.024 119.729 119.950 -0.328 0.000 2.126 150 F HA -0.074 4.457 4.527 0.007 0.000 0.299 150 F C 2.151 177.670 175.800 -0.468 0.000 1.096 150 F CA 1.481 59.178 58.000 -0.506 0.000 1.255 150 F CB -0.232 38.279 39.000 -0.814 0.000 0.997 150 F HN 0.611 nan 8.300 nan 0.000 0.479 151 W N 0.597 121.890 121.300 -0.012 0.000 2.381 151 W HA -0.145 4.519 4.660 0.006 0.000 0.301 151 W C 2.307 178.761 176.519 -0.109 0.000 1.205 151 W CA 0.767 58.037 57.345 -0.124 0.000 1.285 151 W CB -0.768 28.721 29.460 0.047 0.000 1.133 151 W HN -0.092 nan 8.180 nan 0.000 0.521 152 D N 0.071 120.540 120.400 0.115 0.000 2.123 152 D HA -0.213 4.432 4.640 0.008 0.000 0.196 152 D C 1.775 178.056 176.300 -0.031 0.000 0.992 152 D CA 1.318 55.352 54.000 0.055 0.000 0.833 152 D CB -0.939 39.902 40.800 0.068 0.000 0.954 152 D HN 0.091 nan 8.370 nan 0.000 0.455 153 F N 1.480 121.301 119.950 -0.216 0.000 2.095 153 F HA -0.166 4.366 4.527 0.007 0.000 0.298 153 F C 2.135 177.737 175.800 -0.330 0.000 1.104 153 F CA 1.224 59.048 58.000 -0.295 0.000 1.232 153 F CB -0.321 38.450 39.000 -0.382 0.000 0.987 153 F HN -0.105 nan 8.300 nan 0.000 0.475 154 L N -0.141 120.823 121.223 -0.431 0.000 2.131 154 L HA -0.214 4.131 4.340 0.008 0.000 0.210 154 L C 2.007 178.721 176.870 -0.261 0.000 1.092 154 L CA 1.342 55.932 54.840 -0.418 0.000 0.759 154 L CB -0.876 40.958 42.059 -0.375 0.000 0.903 154 L HN 0.101 nan 8.230 nan 0.000 0.435 155 D N 0.324 120.621 120.400 -0.171 0.000 2.219 155 D HA -0.141 4.504 4.640 0.008 0.000 0.205 155 D C 1.978 178.196 176.300 -0.137 0.000 0.970 155 D CA 1.177 55.116 54.000 -0.101 0.000 0.851 155 D CB 0.044 40.820 40.800 -0.040 0.000 0.943 155 D HN 0.299 nan 8.370 nan 0.000 0.488 156 K N -0.076 120.193 120.400 -0.218 0.000 2.393 156 K HA 0.120 4.445 4.320 0.008 0.000 0.193 156 K C 0.124 176.560 176.600 -0.273 0.000 1.026 156 K CA 0.146 56.303 56.287 -0.216 0.000 1.064 156 K CB 0.600 32.975 32.500 -0.209 0.000 0.833 156 K HN -0.016 nan 8.250 nan 0.000 0.521 157 N N 1.101 119.579 118.700 -0.370 0.000 2.762 157 N HA 0.130 4.875 4.740 0.008 0.000 0.252 157 N C -2.543 172.885 175.510 -0.136 0.000 1.269 157 N CA -1.171 51.694 53.050 -0.309 0.000 0.799 157 N CB 1.759 39.843 38.487 -0.671 0.000 1.173 157 N HN -0.184 nan 8.380 nan 0.000 0.516 158 P HA -0.184 nan 4.420 nan 0.000 0.216 158 P C 1.031 178.328 177.300 -0.004 0.000 1.157 158 P CA 1.497 64.577 63.100 -0.034 0.000 0.880 158 P CB 0.529 32.210 31.700 -0.031 0.000 0.791 159 E N -2.173 118.024 120.200 -0.005 0.000 2.153 159 E HA -0.200 4.155 4.350 0.008 0.000 0.194 159 E C 1.901 178.471 176.600 -0.051 0.000 0.988 159 E CA 0.981 57.357 56.400 -0.039 0.000 0.811 159 E CB -0.507 29.144 29.700 -0.082 0.000 0.746 159 E HN 0.391 nan 8.360 nan 0.000 0.466 160 Y N 0.539 120.809 120.300 -0.050 0.000 2.263 160 Y HA -0.143 4.413 4.550 0.010 0.000 0.292 160 Y C 2.263 178.190 175.900 0.046 0.000 1.130 160 Y CA 1.258 59.363 58.100 0.008 0.000 1.179 160 Y CB -0.149 38.286 38.460 -0.041 0.000 0.998 160 Y HN 0.042 nan 8.280 nan 0.000 0.532 161 N N -0.651 118.126 118.700 0.128 0.000 2.120 161 N HA -0.155 4.590 4.740 0.008 0.000 0.188 161 N C 1.680 177.297 175.510 0.179 0.000 1.024 161 N CA 2.004 55.135 53.050 0.135 0.000 0.852 161 N CB -0.274 38.244 38.487 0.052 0.000 1.003 161 N HN 0.133 nan 8.380 nan 0.000 0.424 162 T N -1.247 113.368 114.554 0.102 0.000 2.708 162 T HA -0.141 4.214 4.350 0.008 0.000 0.266 162 T C 1.952 176.705 174.700 0.089 0.000 1.037 162 T CA 1.467 63.613 62.100 0.076 0.000 1.146 162 T CB -0.674 68.212 68.868 0.028 0.000 0.865 162 T HN 0.281 nan 8.240 nan 0.000 0.435 163 S N 0.446 116.196 115.700 0.084 0.000 2.370 163 S HA -0.124 4.352 4.470 0.008 0.000 0.226 163 S C 1.782 176.480 174.600 0.164 0.000 1.033 163 S CA 1.171 59.421 58.200 0.083 0.000 1.011 163 S CB -0.570 62.648 63.200 0.031 0.000 0.852 163 S HN 0.454 nan 8.310 nan 0.000 0.457 164 F N 2.963 122.993 119.950 0.133 0.000 2.102 164 F HA -0.037 4.498 4.527 0.014 0.000 0.298 164 F C 2.055 177.953 175.800 0.163 0.000 1.105 164 F CA 1.800 59.918 58.000 0.196 0.000 1.239 164 F CB -0.684 38.480 39.000 0.274 0.000 0.991 164 F HN 0.242 nan 8.300 nan 0.000 0.474 165 N N 0.734 119.511 118.700 0.129 0.000 2.120 165 N HA -0.172 4.573 4.740 0.008 0.000 0.188 165 N C 1.448 176.933 175.510 -0.041 0.000 1.024 165 N CA 1.603 54.664 53.050 0.020 0.000 0.852 165 N CB -0.690 37.860 38.487 0.105 0.000 1.003 165 N HN 0.340 nan 8.380 nan 0.000 0.424 166 D N 0.720 121.116 120.400 -0.006 0.000 2.144 166 D HA -0.035 4.610 4.640 0.008 0.000 0.199 166 D C 1.806 178.081 176.300 -0.041 0.000 0.984 166 D CA 0.954 54.947 54.000 -0.011 0.000 0.834 166 D CB -0.244 40.559 40.800 0.005 0.000 0.955 166 D HN 0.226 nan 8.370 nan 0.000 0.465 167 A N 0.892 123.666 122.820 -0.076 0.000 1.873 167 A HA -0.147 4.178 4.320 0.008 0.000 0.215 167 A C 2.116 179.611 177.584 -0.149 0.000 1.186 167 A CA 1.266 53.246 52.037 -0.095 0.000 0.616 167 A CB -0.374 18.573 19.000 -0.088 0.000 0.823 167 A HN 0.064 nan 8.150 nan 0.000 0.442 168 M N -0.209 119.220 119.600 -0.286 0.000 2.213 168 M HA -0.088 4.397 4.480 0.008 0.000 0.263 168 M C 2.388 178.661 176.300 -0.044 0.000 1.062 168 M CA 1.415 56.587 55.300 -0.214 0.000 1.105 168 M CB -1.558 30.863 32.600 -0.298 0.000 1.385 168 M HN 0.495 nan 8.290 nan 0.000 0.417 169 A N 0.211 123.012 122.820 -0.032 0.000 2.015 169 A HA -0.102 4.223 4.320 0.008 0.000 0.219 169 A C 2.380 179.982 177.584 0.029 0.000 1.163 169 A CA 1.856 53.904 52.037 0.017 0.000 0.646 169 A CB -0.814 18.195 19.000 0.016 0.000 0.806 169 A HN 0.604 nan 8.150 nan 0.000 0.448 170 S N 1.356 117.065 115.700 0.016 0.000 2.387 170 S HA -0.215 4.260 4.470 0.008 0.000 0.230 170 S C 1.147 175.779 174.600 0.053 0.000 1.035 170 S CA 1.590 59.807 58.200 0.029 0.000 1.014 170 S CB -0.477 62.734 63.200 0.017 0.000 0.836 170 S HN 0.706 nan 8.310 nan 0.000 0.466 171 D N 1.178 121.626 120.400 0.080 0.000 2.402 171 D HA 0.177 4.822 4.640 0.008 0.000 0.216 171 D C 1.645 178.012 176.300 0.112 0.000 1.128 171 D CA 0.584 54.648 54.000 0.107 0.000 0.833 171 D CB -0.241 40.652 40.800 0.155 0.000 0.971 171 D HN 0.540 nan 8.370 nan 0.000 0.503 172 S N 1.194 116.953 115.700 0.097 0.000 2.368 172 S HA -0.222 4.253 4.470 0.008 0.000 0.225 172 S C 1.775 176.413 174.600 0.063 0.000 1.030 172 S CA 0.652 58.908 58.200 0.092 0.000 0.999 172 S CB -0.309 62.941 63.200 0.084 0.000 0.844 172 S HN 0.171 nan 8.310 nan 0.000 0.459 173 K N 1.120 121.549 120.400 0.049 0.000 2.032 173 K HA 0.024 4.349 4.320 0.008 0.000 0.209 173 K C 2.227 178.845 176.600 0.031 0.000 1.048 173 K CA 1.512 57.819 56.287 0.033 0.000 0.927 173 K CB -0.570 31.946 32.500 0.026 0.000 0.712 173 K HN 0.305 nan 8.250 nan 0.000 0.441 174 L N 0.922 122.169 121.223 0.040 0.000 2.012 174 L HA -0.223 4.122 4.340 0.008 0.000 0.210 174 L C 2.336 179.225 176.870 0.032 0.000 1.073 174 L CA 1.474 56.336 54.840 0.036 0.000 0.748 174 L CB -0.239 41.849 42.059 0.049 0.000 0.891 174 L HN 0.236 nan 8.230 nan 0.000 0.431 175 I N -0.569 120.024 120.570 0.037 0.000 2.286 175 I HA -0.253 3.922 4.170 0.008 0.000 0.245 175 I C 2.101 178.228 176.117 0.016 0.000 1.104 175 I CA 0.830 62.139 61.300 0.015 0.000 1.397 175 I CB -0.413 37.583 38.000 -0.007 0.000 1.072 175 I HN 0.306 nan 8.210 nan 0.000 0.417 176 N N 1.002 119.718 118.700 0.027 0.000 2.188 176 N HA -0.076 4.669 4.740 0.008 0.000 0.184 176 N C 1.974 177.496 175.510 0.019 0.000 1.018 176 N CA 1.213 54.281 53.050 0.029 0.000 0.858 176 N CB -0.288 38.218 38.487 0.031 0.000 0.989 176 N HN 0.321 nan 8.380 nan 0.000 0.426 177 L N 0.583 121.812 121.223 0.010 0.000 2.093 177 L HA -0.040 4.305 4.340 0.008 0.000 0.208 177 L C 2.387 179.265 176.870 0.012 0.000 1.085 177 L CA 0.877 55.716 54.840 -0.002 0.000 0.755 177 L CB -0.436 41.620 42.059 -0.005 0.000 0.904 177 L HN 0.097 nan 8.230 nan 0.000 0.435 178 A N 0.089 122.922 122.820 0.022 0.000 1.902 178 A HA -0.225 4.100 4.320 0.008 0.000 0.217 178 A C 2.204 179.817 177.584 0.048 0.000 1.181 178 A CA 1.664 53.721 52.037 0.032 0.000 0.623 178 A CB -0.624 18.393 19.000 0.028 0.000 0.818 178 A HN 0.333 nan 8.150 nan 0.000 0.443 179 L N 0.663 121.918 121.223 0.053 0.000 2.017 179 L HA -0.161 4.184 4.340 0.008 0.000 0.208 179 L C 2.463 179.458 176.870 0.209 0.000 1.073 179 L CA 2.667 57.568 54.840 0.102 0.000 0.745 179 L CB -0.570 41.556 42.059 0.111 0.000 0.894 179 L HN 0.527 nan 8.230 nan 0.000 0.432 180 R N -0.997 119.574 120.500 0.119 0.000 2.237 180 R HA -0.067 4.278 4.340 0.008 0.000 0.219 180 R C 1.300 177.651 176.300 0.084 0.000 1.080 180 R CA 1.543 57.673 56.100 0.051 0.000 0.995 180 R CB -1.343 28.879 30.300 -0.130 0.000 0.875 180 R HN 0.325 nan 8.270 nan 0.000 0.462 181 D N -0.118 120.323 120.400 0.070 0.000 2.355 181 D HA 0.026 4.671 4.640 0.008 0.000 0.218 181 D C -0.354 176.012 176.300 0.111 0.000 1.004 181 D CA 0.318 54.359 54.000 0.069 0.000 0.880 181 D CB -0.030 40.796 40.800 0.045 0.000 0.911 181 D HN 0.211 nan 8.370 nan 0.000 0.528 182 C N 2.332 121.689 119.300 0.095 0.000 2.210 182 C HA 0.112 4.577 4.460 0.008 0.000 0.377 182 C C 1.638 176.572 174.990 -0.094 0.000 1.037 182 C CA -1.138 57.820 59.018 -0.099 0.000 1.405 182 C CB -0.614 26.838 27.740 -0.479 0.000 1.802 182 C HN 0.220 nan 8.230 nan 0.000 0.495 183 D N 2.078 122.540 120.400 0.104 0.000 2.178 183 D HA -0.153 4.492 4.640 0.008 0.000 0.201 183 D C 1.732 178.065 176.300 0.056 0.000 0.980 183 D CA 1.392 55.489 54.000 0.162 0.000 0.842 183 D CB -0.089 40.828 40.800 0.196 0.000 0.948 183 D HN 0.769 nan 8.370 nan 0.000 0.472 184 F N 0.213 120.199 119.950 0.059 0.000 2.269 184 F HA -0.105 4.428 4.527 0.009 0.000 0.301 184 F C 2.032 177.787 175.800 -0.075 0.000 1.082 184 F CA 0.422 58.423 58.000 0.001 0.000 1.360 184 F CB -0.921 38.080 39.000 0.003 0.000 1.041 184 F HN -0.217 nan 8.300 nan 0.000 0.512 185 V N 0.084 119.518 119.914 -0.800 0.000 2.379 185 V HA -0.206 3.919 4.120 0.008 0.000 0.245 185 V C 1.928 177.554 176.094 -0.779 0.000 1.044 185 V CA 1.708 63.523 62.300 -0.808 0.000 1.036 185 V CB -0.758 30.377 31.823 -1.147 0.000 0.664 185 V HN 0.345 nan 8.190 nan 0.000 0.453 186 F N -1.103 118.634 119.950 -0.355 0.000 2.754 186 F HA 0.224 4.756 4.527 0.010 0.000 0.297 186 F C 0.822 176.413 175.800 -0.348 0.000 1.122 186 F CA -0.500 57.220 58.000 -0.468 0.000 1.400 186 F CB -0.145 38.254 39.000 -1.001 0.000 1.117 186 F HN 0.061 nan 8.300 nan 0.000 0.587 187 D N 0.717 121.073 120.400 -0.074 0.000 2.531 187 D HA 0.207 4.852 4.640 0.008 0.000 0.239 187 D C 1.445 177.724 176.300 -0.036 0.000 1.144 187 D CA 1.552 55.539 54.000 -0.023 0.000 0.869 187 D CB 0.604 41.422 40.800 0.030 0.000 1.160 187 D HN 0.423 nan 8.370 nan 0.000 0.484 188 G N 2.061 110.846 108.800 -0.025 0.000 2.245 188 G HA2 -0.296 3.669 3.960 0.008 0.000 0.264 188 G HA3 -0.296 3.669 3.960 0.008 0.000 0.264 188 G C 0.509 175.388 174.900 -0.035 0.000 0.985 188 G CA 0.094 45.181 45.100 -0.021 0.000 0.625 188 G HN 0.496 nan 8.290 nan 0.000 0.536 189 L N 0.260 121.446 121.223 -0.062 0.000 2.439 189 L HA 0.379 4.724 4.340 0.008 0.000 0.269 189 L C 1.460 178.306 176.870 -0.039 0.000 1.179 189 L CA 0.119 54.923 54.840 -0.059 0.000 0.828 189 L CB 0.698 42.710 42.059 -0.079 0.000 1.106 189 L HN 0.258 nan 8.230 nan 0.000 0.467 190 E N 0.308 120.491 120.200 -0.029 0.000 2.434 190 E HA 0.067 4.422 4.350 0.008 0.000 0.207 190 E C -0.228 176.364 176.600 -0.014 0.000 0.929 190 E CA 0.079 56.469 56.400 -0.017 0.000 1.001 190 E CB 0.904 30.596 29.700 -0.013 0.000 1.016 190 E HN 0.711 nan 8.360 nan 0.000 0.502 191 S N 0.059 115.746 115.700 -0.022 0.000 2.550 191 S HA 0.640 5.115 4.470 0.008 0.000 0.270 191 S C -1.008 173.576 174.600 -0.027 0.000 1.145 191 S CA -0.938 57.250 58.200 -0.019 0.000 0.852 191 S CB 2.074 65.260 63.200 -0.024 0.000 1.119 191 S HN 0.138 nan 8.310 nan 0.000 0.465 192 I N 1.275 121.835 120.570 -0.017 0.000 2.752 192 I HA 0.723 4.898 4.170 0.008 0.000 0.295 192 I C -1.680 174.423 176.117 -0.023 0.000 1.219 192 I CA -0.966 60.320 61.300 -0.023 0.000 1.030 192 I CB 2.037 40.045 38.000 0.015 0.000 1.259 192 I HN 0.739 nan 8.210 nan 0.000 0.423 193 V N 6.186 126.075 119.914 -0.041 0.000 2.448 193 V HA 0.478 4.603 4.120 0.008 0.000 0.295 193 V C -1.084 175.005 176.094 -0.007 0.000 1.025 193 V CA -0.267 62.013 62.300 -0.032 0.000 0.859 193 V CB 1.696 33.465 31.823 -0.091 0.000 0.988 193 V HN 0.741 nan 8.190 nan 0.000 0.431 194 D N 5.627 126.049 120.400 0.037 0.000 2.411 194 D HA 0.266 4.911 4.640 0.008 0.000 0.225 194 D C -0.337 176.036 176.300 0.122 0.000 1.156 194 D CA 0.064 54.101 54.000 0.062 0.000 0.874 194 D CB 1.325 42.164 40.800 0.065 0.000 1.034 194 D HN 0.353 nan 8.370 nan 0.000 0.502 195 V N 3.711 123.691 119.914 0.109 0.000 2.455 195 V HA 0.441 4.566 4.120 0.008 0.000 0.273 195 V C 1.483 177.678 176.094 0.169 0.000 1.045 195 V CA 0.299 62.718 62.300 0.198 0.000 0.976 195 V CB 0.905 32.780 31.823 0.086 0.000 0.993 195 V HN 0.874 nan 8.190 nan 0.000 0.475 196 G N 4.328 113.232 108.800 0.174 0.000 2.246 196 G HA2 -0.196 3.769 3.960 0.008 0.000 0.273 196 G HA3 -0.196 3.769 3.960 0.008 0.000 0.273 196 G C 0.874 175.840 174.900 0.111 0.000 1.055 196 G CA 0.190 45.340 45.100 0.083 0.000 0.851 196 G HN 1.327 nan 8.290 nan 0.000 0.500 197 G N -0.513 108.360 108.800 0.121 0.000 2.776 197 G HA2 0.476 4.441 3.960 0.008 0.000 0.209 197 G HA3 0.476 4.441 3.960 0.008 0.000 0.209 197 G C 1.765 176.748 174.900 0.139 0.000 1.145 197 G CA 1.428 46.604 45.100 0.126 0.000 0.791 197 G HN 2.086 nan 8.290 nan 0.000 0.530 198 G N 0.141 109.019 108.800 0.131 0.000 2.583 198 G HA2 -0.308 3.657 3.960 0.008 0.000 0.292 198 G HA3 -0.308 3.657 3.960 0.008 0.000 0.292 198 G C 1.229 176.230 174.900 0.168 0.000 1.203 198 G CA 1.555 46.744 45.100 0.148 0.000 0.987 198 G HN 1.196 nan 8.290 nan 0.000 0.554 199 T N -1.607 113.047 114.554 0.168 0.000 3.163 199 T HA 0.500 4.855 4.350 0.008 0.000 0.252 199 T C 2.007 176.889 174.700 0.302 0.000 1.056 199 T CA 1.355 63.565 62.100 0.182 0.000 0.947 199 T CB 0.237 69.165 68.868 0.101 0.000 1.016 199 T HN 2.752 nan 8.240 nan 0.000 0.554 200 G N 0.730 109.685 108.800 0.258 0.000 2.131 200 G HA2 -0.298 3.667 3.960 0.008 0.000 0.223 200 G HA3 -0.298 3.667 3.960 0.008 0.000 0.223 200 G C 0.768 175.741 174.900 0.123 0.000 0.990 200 G CA 0.277 45.492 45.100 0.193 0.000 0.671 200 G HN 0.482 nan 8.290 nan 0.000 0.521 201 T N 0.689 115.313 114.554 0.116 0.000 2.652 201 T HA -0.144 4.211 4.350 0.008 0.000 0.267 201 T C 2.541 177.281 174.700 0.066 0.000 1.039 201 T CA 2.375 64.526 62.100 0.086 0.000 1.153 201 T CB -0.424 68.495 68.868 0.084 0.000 0.863 201 T HN 0.458 nan 8.240 nan 0.000 0.428 202 T N 1.943 116.541 114.554 0.073 0.000 2.737 202 T HA 0.019 4.374 4.350 0.008 0.000 0.265 202 T C 2.436 177.163 174.700 0.046 0.000 1.038 202 T CA 1.126 63.263 62.100 0.062 0.000 1.144 202 T CB -0.609 68.305 68.868 0.077 0.000 0.866 202 T HN 0.431 nan 8.240 nan 0.000 0.434 203 A N 1.782 124.626 122.820 0.040 0.000 1.940 203 A HA -0.163 4.162 4.320 0.008 0.000 0.219 203 A C 2.240 179.822 177.584 -0.002 0.000 1.176 203 A CA 1.720 53.764 52.037 0.012 0.000 0.631 203 A CB -0.470 18.509 19.000 -0.034 0.000 0.814 203 A HN 0.480 nan 8.150 nan 0.000 0.446 204 K N -0.472 119.933 120.400 0.008 0.000 2.057 204 K HA -0.031 4.294 4.320 0.008 0.000 0.207 204 K C 1.742 178.332 176.600 -0.017 0.000 1.049 204 K CA 1.526 57.815 56.287 0.004 0.000 0.931 204 K CB -0.328 32.189 32.500 0.028 0.000 0.714 204 K HN 0.540 nan 8.250 nan 0.000 0.440 205 I N 0.859 121.419 120.570 -0.017 0.000 2.315 205 I HA -0.256 3.919 4.170 0.008 0.000 0.248 205 I C 2.165 178.227 176.117 -0.092 0.000 1.117 205 I CA 1.115 62.385 61.300 -0.049 0.000 1.404 205 I CB -0.203 37.778 38.000 -0.031 0.000 1.071 205 I HN 0.132 nan 8.210 nan 0.000 0.419 206 I N 0.116 120.649 120.570 -0.061 0.000 2.179 206 I HA -0.344 3.832 4.170 0.008 0.000 0.242 206 I C 2.579 178.675 176.117 -0.036 0.000 1.088 206 I CA 1.310 62.565 61.300 -0.076 0.000 1.357 206 I CB -0.381 37.607 38.000 -0.020 0.000 1.051 206 I HN 0.355 nan 8.210 nan 0.000 0.409 207 C N 0.472 119.756 119.300 -0.027 0.000 2.435 207 C HA -0.099 4.366 4.460 0.008 0.000 0.279 207 C C 2.587 177.542 174.990 -0.059 0.000 1.321 207 C CA 0.548 59.556 59.018 -0.016 0.000 1.752 207 C CB -1.035 26.697 27.740 -0.014 0.000 1.959 207 C HN 0.483 nan 8.230 nan 0.000 0.500 208 E N 0.300 120.446 120.200 -0.090 0.000 2.150 208 E HA -0.148 4.207 4.350 0.008 0.000 0.193 208 E C 2.034 178.515 176.600 -0.198 0.000 0.985 208 E CA 1.579 57.911 56.400 -0.113 0.000 0.814 208 E CB -0.087 29.556 29.700 -0.096 0.000 0.752 208 E HN 0.635 nan 8.360 nan 0.000 0.466 209 T N -0.104 114.253 114.554 -0.327 0.000 2.894 209 T HA 0.008 4.363 4.350 0.008 0.000 0.258 209 T C 0.311 174.510 174.700 -0.835 0.000 1.043 209 T CA 0.734 62.440 62.100 -0.657 0.000 1.141 209 T CB 0.052 68.328 68.868 -0.986 0.000 0.873 209 T HN 0.004 nan 8.240 nan 0.000 0.449 210 F N 1.047 120.895 119.950 -0.171 0.000 2.564 210 F HA 0.368 4.902 4.527 0.011 0.000 0.361 210 F C -2.190 173.557 175.800 -0.089 0.000 1.161 210 F CA -2.425 55.495 58.000 -0.134 0.000 1.198 210 F CB 1.589 40.478 39.000 -0.184 0.000 1.424 210 F HN -0.048 nan 8.300 nan 0.000 0.517 211 P HA -0.134 nan 4.420 nan 0.000 0.223 211 P C 0.706 178.029 177.300 0.038 0.000 1.144 211 P CA 1.346 64.458 63.100 0.020 0.000 0.783 211 P CB 0.165 31.860 31.700 -0.007 0.000 0.771 212 K N -1.621 118.816 120.400 0.062 0.000 2.358 212 K HA 0.137 4.462 4.320 0.008 0.000 0.197 212 K C 0.330 176.956 176.600 0.042 0.000 1.025 212 K CA -0.365 55.949 56.287 0.045 0.000 1.104 212 K CB 0.070 32.596 32.500 0.043 0.000 0.855 212 K HN 0.055 nan 8.250 nan 0.000 0.531 213 L N 2.106 123.365 121.223 0.061 0.000 2.331 213 L HA 0.145 4.490 4.340 0.008 0.000 0.278 213 L C -0.203 176.681 176.870 0.023 0.000 1.106 213 L CA -0.073 54.790 54.840 0.037 0.000 0.824 213 L CB 0.689 42.774 42.059 0.045 0.000 1.142 213 L HN -0.108 nan 8.230 nan 0.000 0.443 214 K N 5.070 125.476 120.400 0.009 0.000 2.276 214 K HA 0.327 4.652 4.320 0.008 0.000 0.283 214 K C -1.368 175.230 176.600 -0.004 0.000 1.044 214 K CA -0.437 55.849 56.287 -0.000 0.000 0.944 214 K CB 0.590 33.087 32.500 -0.005 0.000 1.012 214 K HN 0.750 nan 8.250 nan 0.000 0.472 215 C N 6.587 125.878 119.300 -0.016 0.000 2.431 215 C HA 0.574 5.039 4.460 0.008 0.000 0.321 215 C C -0.737 174.219 174.990 -0.057 0.000 1.202 215 C CA -0.808 58.196 59.018 -0.023 0.000 1.398 215 C CB -0.054 27.674 27.740 -0.019 0.000 2.047 215 C HN 0.882 nan 8.230 nan 0.000 0.465 216 I N 6.046 126.591 120.570 -0.042 0.000 2.354 216 I HA 0.370 4.545 4.170 0.008 0.000 0.292 216 I C -0.261 175.839 176.117 -0.030 0.000 0.989 216 I CA -0.494 60.780 61.300 -0.043 0.000 1.188 216 I CB 1.786 39.786 38.000 0.001 0.000 1.342 216 I HN 0.306 nan 8.210 nan 0.000 0.457 217 V N 7.044 126.894 119.914 -0.107 0.000 2.385 217 V HA 0.215 4.340 4.120 0.008 0.000 0.269 217 V C -0.487 175.694 176.094 0.146 0.000 1.043 217 V CA -0.343 61.938 62.300 -0.032 0.000 0.906 217 V CB 0.855 32.548 31.823 -0.216 0.000 0.995 217 V HN 0.419 nan 8.190 nan 0.000 0.467 218 F N 5.436 125.399 119.950 0.021 0.000 2.426 218 F HA 0.701 5.232 4.527 0.008 0.000 0.348 218 F C -0.228 175.600 175.800 0.046 0.000 1.124 218 F CA -0.100 57.922 58.000 0.035 0.000 1.008 218 F CB 1.010 40.012 39.000 0.003 0.000 1.139 218 F HN 0.567 nan 8.300 nan 0.000 0.452 219 D N 3.827 123.935 120.400 -0.486 0.000 2.768 219 D HA 0.298 4.943 4.640 0.008 0.000 0.327 219 D C -0.901 175.136 176.300 -0.437 0.000 1.302 219 D CA -0.616 53.159 54.000 -0.375 0.000 0.897 219 D CB 1.958 42.702 40.800 -0.094 0.000 1.420 219 D HN 0.509 nan 8.370 nan 0.000 0.494 220 R N 0.626 120.978 120.500 -0.246 0.000 2.643 220 R HA 0.178 4.523 4.340 0.008 0.000 0.270 220 R C -1.529 174.705 176.300 -0.110 0.000 1.061 220 R CA -0.871 55.133 56.100 -0.161 0.000 1.107 220 R CB 0.205 30.466 30.300 -0.065 0.000 0.999 220 R HN 0.199 nan 8.270 nan 0.000 0.460 221 P HA -0.243 nan 4.420 nan 0.000 0.216 221 P C 1.057 178.339 177.300 -0.029 0.000 1.153 221 P CA 1.307 64.381 63.100 -0.044 0.000 0.858 221 P CB 0.155 31.842 31.700 -0.021 0.000 0.789 222 Q N -0.547 119.243 119.800 -0.017 0.000 2.224 222 Q HA -0.100 4.245 4.340 0.008 0.000 0.203 222 Q C 1.713 177.707 176.000 -0.011 0.000 0.970 222 Q CA 1.019 56.815 55.803 -0.011 0.000 0.865 222 Q CB -0.282 28.455 28.738 -0.001 0.000 0.922 222 Q HN 0.047 nan 8.270 nan 0.000 0.445 223 V N 0.044 119.953 119.914 -0.008 0.000 2.407 223 V HA -0.145 3.980 4.120 0.008 0.000 0.245 223 V C 1.957 178.038 176.094 -0.022 0.000 1.041 223 V CA 1.528 63.832 62.300 0.006 0.000 1.040 223 V CB 0.407 32.243 31.823 0.022 0.000 0.671 223 V HN 0.529 nan 8.190 nan 0.000 0.455 224 V N -0.340 119.553 119.914 -0.036 0.000 3.621 224 V HA 0.228 4.353 4.120 0.008 0.000 0.285 224 V C 0.889 176.912 176.094 -0.119 0.000 1.346 224 V CA -0.150 62.104 62.300 -0.077 0.000 1.104 224 V CB -0.920 30.925 31.823 0.037 0.000 0.913 224 V HN 0.758 nan 8.190 nan 0.000 0.432 225 E N 1.330 121.485 120.200 -0.074 0.000 2.414 225 E HA 0.084 4.439 4.350 0.008 0.000 0.263 225 E C 0.254 176.798 176.600 -0.092 0.000 1.000 225 E CA 0.326 56.688 56.400 -0.065 0.000 0.914 225 E CB -0.062 29.615 29.700 -0.038 0.000 0.948 225 E HN 0.376 nan 8.360 nan 0.000 0.444 226 N N 0.912 119.562 118.700 -0.083 0.000 2.863 226 N HA -0.189 4.556 4.740 0.008 0.000 0.245 226 N C -0.579 174.845 175.510 -0.143 0.000 1.001 226 N CA 0.963 53.962 53.050 -0.086 0.000 0.901 226 N CB -1.365 37.084 38.487 -0.064 0.000 1.124 226 N HN 0.540 nan 8.380 nan 0.000 0.582 227 L N 0.937 122.004 121.223 -0.261 0.000 2.350 227 L HA 0.334 4.679 4.340 0.008 0.000 0.275 227 L C 0.573 177.229 176.870 -0.357 0.000 1.099 227 L CA -0.057 54.510 54.840 -0.454 0.000 0.808 227 L CB 1.435 42.895 42.059 -0.998 0.000 1.149 227 L HN -0.076 nan 8.230 nan 0.000 0.442 228 S N 0.893 116.486 115.700 -0.179 0.000 2.472 228 S HA 0.636 5.111 4.470 0.008 0.000 0.303 228 S C 0.303 175.048 174.600 0.242 0.000 1.099 228 S CA -0.575 57.647 58.200 0.036 0.000 1.077 228 S CB 1.906 65.123 63.200 0.029 0.000 1.031 228 S HN 0.789 nan 8.310 nan 0.000 0.487 229 G N 1.384 110.381 108.800 0.328 0.000 2.641 229 G HA2 0.758 4.723 3.960 0.008 0.000 0.239 229 G HA3 0.758 4.723 3.960 0.008 0.000 0.239 229 G C -0.760 174.221 174.900 0.136 0.000 1.402 229 G CA -0.542 44.734 45.100 0.293 0.000 1.046 229 G HN 1.151 nan 8.290 nan 0.000 0.565 230 S N -2.003 113.743 115.700 0.076 0.000 2.606 230 S HA 0.305 4.780 4.470 0.008 0.000 0.290 230 S C -0.766 173.849 174.600 0.026 0.000 1.103 230 S CA -0.518 57.712 58.200 0.049 0.000 0.870 230 S CB 0.752 63.981 63.200 0.048 0.000 1.077 230 S HN 1.570 nan 8.310 nan 0.000 0.448 231 N N 2.542 121.255 118.700 0.021 0.000 2.696 231 N HA -0.246 4.499 4.740 0.008 0.000 0.306 231 N C 0.579 176.093 175.510 0.007 0.000 1.240 231 N CA 1.808 54.866 53.050 0.013 0.000 0.704 231 N CB -0.856 37.638 38.487 0.011 0.000 1.027 231 N HN 0.897 nan 8.380 nan 0.000 0.544 232 N N -0.809 117.894 118.700 0.005 0.000 2.951 232 N HA -0.274 4.471 4.740 0.008 0.000 0.218 232 N C -0.248 175.250 175.510 -0.019 0.000 0.858 232 N CA 1.495 54.544 53.050 -0.002 0.000 1.050 232 N CB -1.000 37.489 38.487 0.004 0.000 1.012 232 N HN 0.628 nan 8.380 nan 0.000 0.611 233 L N 1.866 123.071 121.223 -0.030 0.000 2.287 233 L HA 0.520 4.866 4.340 0.008 0.000 0.287 233 L C 0.226 177.032 176.870 -0.106 0.000 1.022 233 L CA -0.131 54.657 54.840 -0.087 0.000 0.814 233 L CB 1.090 43.093 42.059 -0.093 0.000 1.217 233 L HN 0.283 nan 8.230 nan 0.000 0.420 234 T N 0.101 114.560 114.554 -0.159 0.000 2.916 234 T HA 0.553 4.908 4.350 0.008 0.000 0.292 234 T C -0.971 173.583 174.700 -0.244 0.000 1.064 234 T CA -0.663 61.379 62.100 -0.098 0.000 1.011 234 T CB 1.441 70.309 68.868 0.000 0.000 1.152 234 T HN 0.312 nan 8.240 nan 0.000 0.510 235 Y N -0.326 120.005 120.300 0.052 0.000 2.393 235 Y HA 0.660 5.213 4.550 0.006 0.000 0.341 235 Y C -0.397 175.545 175.900 0.070 0.000 0.988 235 Y CA -0.993 57.142 58.100 0.058 0.000 1.078 235 Y CB 2.292 40.774 38.460 0.037 0.000 1.203 235 Y HN 0.547 nan 8.280 nan 0.000 0.453 236 V N 2.419 122.474 119.914 0.235 0.000 2.577 236 V HA 0.631 4.756 4.120 0.008 0.000 0.303 236 V C 0.060 176.223 176.094 0.115 0.000 1.042 236 V CA -0.942 61.487 62.300 0.215 0.000 0.872 236 V CB 1.866 33.877 31.823 0.312 0.000 0.998 236 V HN 0.943 nan 8.190 nan 0.000 0.423 237 G N 2.332 111.161 108.800 0.049 0.000 2.338 237 G HA2 0.706 4.671 3.960 0.008 0.000 0.298 237 G HA3 0.706 4.671 3.960 0.008 0.000 0.298 237 G C 0.083 174.925 174.900 -0.097 0.000 1.140 237 G CA 0.373 45.423 45.100 -0.083 0.000 0.860 237 G HN 1.205 nan 8.290 nan 0.000 0.470 238 G N 0.554 109.156 108.800 -0.330 0.000 2.578 238 G HA2 0.470 4.435 3.960 0.008 0.000 0.302 238 G HA3 0.470 4.435 3.960 0.008 0.000 0.302 238 G C -2.070 172.738 174.900 -0.153 0.000 1.243 238 G CA -0.438 44.595 45.100 -0.112 0.000 0.843 238 G HN 0.678 nan 8.290 nan 0.000 0.486 239 D N -0.107 120.384 120.400 0.153 0.000 2.620 239 D HA 0.331 4.976 4.640 0.008 0.000 0.252 239 D C 1.516 178.010 176.300 0.324 0.000 1.207 239 D CA -0.633 53.475 54.000 0.179 0.000 0.884 239 D CB 1.455 42.362 40.800 0.179 0.000 1.262 239 D HN 0.526 nan 8.370 nan 0.000 0.552 240 M N 1.328 121.089 119.600 0.269 0.000 2.549 240 M HA 0.061 4.546 4.480 0.008 0.000 0.260 240 M C 0.210 176.412 176.300 -0.164 0.000 1.076 240 M CA 1.085 56.457 55.300 0.119 0.000 1.090 240 M CB -0.303 32.270 32.600 -0.044 0.000 1.418 240 M HN 0.144 nan 8.290 nan 0.000 0.486 241 F N 1.054 121.004 119.950 -0.000 0.000 2.780 241 F HA 0.109 4.641 4.527 0.008 0.000 0.299 241 F C 1.888 177.689 175.800 0.003 0.000 1.146 241 F CA 0.817 58.794 58.000 -0.038 0.000 1.428 241 F CB -0.058 38.905 39.000 -0.061 0.000 1.115 241 F HN 0.200 nan 8.300 nan 0.000 0.583 242 T N -2.738 111.920 114.554 0.173 0.000 3.085 242 T HA 0.146 4.501 4.350 0.008 0.000 0.241 242 T C 0.236 174.979 174.700 0.072 0.000 0.988 242 T CA 0.454 62.627 62.100 0.122 0.000 1.117 242 T CB 0.343 69.290 68.868 0.132 0.000 0.978 242 T HN 0.002 nan 8.240 nan 0.000 0.454 243 S N 0.159 115.902 115.700 0.071 0.000 2.582 243 S HA 0.531 5.006 4.470 0.008 0.000 0.287 243 S C -1.957 172.577 174.600 -0.109 0.000 1.146 243 S CA -0.761 57.437 58.200 -0.003 0.000 0.941 243 S CB 0.463 63.677 63.200 0.023 0.000 1.115 243 S HN 0.277 nan 8.310 nan 0.000 0.458 244 I N 4.894 125.304 120.570 -0.267 0.000 2.404 244 I HA 0.419 4.594 4.170 0.008 0.000 0.293 244 I C -2.163 173.692 176.117 -0.437 0.000 0.992 244 I CA -2.535 58.396 61.300 -0.614 0.000 1.149 244 I CB 2.089 39.797 38.000 -0.487 0.000 1.315 244 I HN 0.448 nan 8.210 nan 0.000 0.446 245 P HA 0.026 nan 4.420 nan 0.000 0.266 245 P C -0.898 176.292 177.300 -0.183 0.000 1.195 245 P CA 0.022 62.978 63.100 -0.239 0.000 0.768 245 P CB 0.174 31.766 31.700 -0.181 0.000 0.838 246 N N 0.884 119.515 118.700 -0.115 0.000 2.454 246 N HA 0.344 5.089 4.740 0.008 0.000 0.254 246 N C -0.197 175.265 175.510 -0.080 0.000 1.228 246 N CA 0.088 53.084 53.050 -0.090 0.000 0.900 246 N CB 0.263 38.714 38.487 -0.061 0.000 1.089 246 N HN 0.460 nan 8.380 nan 0.000 0.449 247 A N 0.929 123.704 122.820 -0.076 0.000 2.564 247 A HA 0.276 4.601 4.320 0.008 0.000 0.291 247 A C -0.452 177.097 177.584 -0.059 0.000 1.102 247 A CA -0.743 51.256 52.037 -0.063 0.000 0.660 247 A CB 0.878 19.836 19.000 -0.069 0.000 1.283 247 A HN 0.564 nan 8.150 nan 0.000 0.430 248 D N 0.121 120.490 120.400 -0.052 0.000 2.269 248 D HA 0.338 4.983 4.640 0.008 0.000 0.208 248 D C 0.722 176.981 176.300 -0.068 0.000 0.963 248 D CA 2.052 56.021 54.000 -0.051 0.000 0.864 248 D CB 0.296 41.067 40.800 -0.047 0.000 0.936 248 D HN 0.935 nan 8.370 nan 0.000 0.505 249 A N -0.489 122.281 122.820 -0.084 0.000 2.612 249 A HA 0.563 4.888 4.320 0.008 0.000 0.293 249 A C -1.318 176.200 177.584 -0.109 0.000 1.075 249 A CA -0.573 51.397 52.037 -0.112 0.000 0.680 249 A CB 1.652 20.557 19.000 -0.159 0.000 1.279 249 A HN -0.113 nan 8.150 nan 0.000 0.411 250 V N 1.362 121.202 119.914 -0.125 0.000 2.555 250 V HA 0.589 4.714 4.120 0.008 0.000 0.302 250 V C -0.833 175.185 176.094 -0.126 0.000 1.038 250 V CA -0.527 61.706 62.300 -0.112 0.000 0.887 250 V CB 1.539 33.297 31.823 -0.109 0.000 0.991 250 V HN 0.869 nan 8.190 nan 0.000 0.434 251 L N 6.090 127.262 121.223 -0.085 0.000 2.307 251 L HA 0.647 4.992 4.340 0.008 0.000 0.284 251 L C -0.880 175.968 176.870 -0.037 0.000 1.023 251 L CA 0.069 54.862 54.840 -0.078 0.000 0.810 251 L CB 1.322 43.361 42.059 -0.032 0.000 1.231 251 L HN 0.572 nan 8.230 nan 0.000 0.423 252 L N 5.810 127.005 121.223 -0.046 0.000 2.417 252 L HA 0.464 4.809 4.340 0.008 0.000 0.259 252 L C -0.496 176.391 176.870 0.029 0.000 1.023 252 L CA -0.417 54.432 54.840 0.015 0.000 0.901 252 L CB 1.043 43.107 42.059 0.009 0.000 1.227 252 L HN 0.582 nan 8.230 nan 0.000 0.454 253 K N 3.258 123.698 120.400 0.066 0.000 2.263 253 K HA 0.277 4.602 4.320 0.008 0.000 0.272 253 K C -0.227 176.499 176.600 0.211 0.000 1.033 253 K CA -0.364 55.945 56.287 0.036 0.000 0.884 253 K CB 0.426 32.937 32.500 0.017 0.000 1.107 253 K HN 0.450 nan 8.250 nan 0.000 0.460 254 Y N 3.390 123.734 120.300 0.073 0.000 3.589 254 Y HA -0.316 4.237 4.550 0.005 0.000 0.218 254 Y C 0.453 176.568 175.900 0.359 0.000 1.234 254 Y CA -0.385 57.768 58.100 0.089 0.000 1.576 254 Y CB -0.957 37.597 38.460 0.157 0.000 1.487 254 Y HN 0.607 nan 8.280 nan 0.000 0.616 255 I N -0.989 119.874 120.570 0.488 0.000 2.962 255 I HA -0.122 4.053 4.170 0.008 0.000 0.246 255 I C 2.222 178.753 176.117 0.690 0.000 1.091 255 I CA 0.765 62.387 61.300 0.537 0.000 1.469 255 I CB -1.098 37.105 38.000 0.338 0.000 1.324 255 I HN 0.245 nan 8.210 nan 0.000 0.461 256 L N 1.074 122.642 121.223 0.574 0.000 2.187 256 L HA -0.221 4.124 4.340 0.008 0.000 0.213 256 L C 2.535 179.756 176.870 0.584 0.000 1.100 256 L CA 1.595 56.794 54.840 0.599 0.000 0.765 256 L CB -1.041 41.358 42.059 0.566 0.000 0.904 256 L HN 0.524 nan 8.230 nan 0.000 0.437 257 H N -1.826 117.472 119.070 0.380 0.000 2.559 257 H HA -0.019 4.542 4.556 0.008 0.000 0.273 257 H C 1.245 176.650 175.328 0.129 0.000 1.000 257 H CA 0.773 56.952 56.048 0.219 0.000 1.195 257 H CB -0.401 29.504 29.762 0.238 0.000 1.368 257 H HN 0.401 nan 8.280 nan 0.000 0.592 258 N N -0.488 118.246 118.700 0.057 0.000 2.322 258 N HA 0.092 4.837 4.740 0.008 0.000 0.194 258 N C -1.238 173.943 175.510 -0.549 0.000 1.126 258 N CA -0.195 52.649 53.050 -0.342 0.000 0.845 258 N CB 0.346 38.668 38.487 -0.276 0.000 0.976 258 N HN 0.340 nan 8.380 nan 0.000 0.475 259 W N 0.139 121.517 121.300 0.130 0.000 3.033 259 W HA 0.276 4.941 4.660 0.008 0.000 0.336 259 W C 0.159 176.730 176.519 0.087 0.000 1.173 259 W CA -1.016 56.420 57.345 0.151 0.000 1.185 259 W CB 0.385 29.986 29.460 0.235 0.000 1.425 259 W HN -0.244 nan 8.180 nan 0.000 0.536 260 T N -1.977 112.772 114.554 0.324 0.000 2.734 260 T HA -0.001 4.354 4.350 0.008 0.000 0.314 260 T C 0.711 175.514 174.700 0.171 0.000 1.057 260 T CA 0.178 62.389 62.100 0.185 0.000 1.047 260 T CB 0.737 69.699 68.868 0.157 0.000 0.991 260 T HN 0.406 nan 8.240 nan 0.000 0.540 261 D N 0.067 120.514 120.400 0.078 0.000 2.123 261 D HA -0.110 4.536 4.640 0.008 0.000 0.196 261 D C 1.955 178.310 176.300 0.091 0.000 0.992 261 D CA 1.464 55.493 54.000 0.049 0.000 0.833 261 D CB -0.268 40.532 40.800 0.001 0.000 0.954 261 D HN 0.776 nan 8.370 nan 0.000 0.455 262 K N 0.500 120.960 120.400 0.100 0.000 2.032 262 K HA -0.166 4.159 4.320 0.008 0.000 0.209 262 K C 1.384 178.078 176.600 0.157 0.000 1.048 262 K CA 1.498 57.850 56.287 0.109 0.000 0.927 262 K CB 0.115 32.671 32.500 0.093 0.000 0.712 262 K HN -0.076 nan 8.250 nan 0.000 0.441 263 D N 0.290 120.826 120.400 0.227 0.000 2.178 263 D HA -0.110 4.535 4.640 0.008 0.000 0.202 263 D C 1.948 178.368 176.300 0.199 0.000 0.974 263 D CA 0.838 55.026 54.000 0.313 0.000 0.841 263 D CB -0.369 40.737 40.800 0.509 0.000 0.953 263 D HN 0.295 nan 8.370 nan 0.000 0.478 264 C N 0.420 119.835 119.300 0.191 0.000 2.425 264 C HA -0.046 4.419 4.460 0.008 0.000 0.277 264 C C 2.863 177.905 174.990 0.088 0.000 1.280 264 C CA 0.171 59.264 59.018 0.124 0.000 1.744 264 C CB -0.998 26.840 27.740 0.163 0.000 1.989 264 C HN 0.366 nan 8.230 nan 0.000 0.491 265 L N 0.185 121.472 121.223 0.107 0.000 2.046 265 L HA -0.167 4.178 4.340 0.008 0.000 0.208 265 L C 2.854 179.775 176.870 0.085 0.000 1.077 265 L CA 1.521 56.426 54.840 0.108 0.000 0.747 265 L CB -0.630 41.490 42.059 0.102 0.000 0.896 265 L HN 0.363 nan 8.230 nan 0.000 0.432 266 R N 0.119 120.672 120.500 0.088 0.000 2.073 266 R HA -0.145 4.201 4.340 0.008 0.000 0.234 266 R C 2.278 178.535 176.300 -0.073 0.000 1.134 266 R CA 1.451 57.598 56.100 0.078 0.000 0.952 266 R CB -0.455 29.992 30.300 0.245 0.000 0.850 266 R HN 0.304 nan 8.270 nan 0.000 0.433 267 I N 0.933 121.355 120.570 -0.246 0.000 2.179 267 I HA -0.299 3.876 4.170 0.008 0.000 0.242 267 I C 2.285 178.319 176.117 -0.138 0.000 1.088 267 I CA 1.359 62.427 61.300 -0.386 0.000 1.357 267 I CB -0.308 37.398 38.000 -0.489 0.000 1.051 267 I HN 0.136 nan 8.210 nan 0.000 0.409 268 L N 0.622 121.837 121.223 -0.014 0.000 2.079 268 L HA -0.246 4.099 4.340 0.008 0.000 0.210 268 L C 2.637 179.616 176.870 0.181 0.000 1.081 268 L CA 1.427 56.333 54.840 0.111 0.000 0.752 268 L CB -0.572 41.603 42.059 0.194 0.000 0.896 268 L HN 0.262 nan 8.230 nan 0.000 0.433 269 K N 0.157 120.620 120.400 0.104 0.000 2.057 269 K HA -0.180 4.145 4.320 0.008 0.000 0.207 269 K C 2.149 178.758 176.600 0.015 0.000 1.049 269 K CA 1.108 57.434 56.287 0.065 0.000 0.931 269 K CB 0.154 32.680 32.500 0.044 0.000 0.714 269 K HN 0.069 nan 8.250 nan 0.000 0.440 270 K N 0.491 120.877 120.400 -0.024 0.000 2.148 270 K HA -0.095 4.230 4.320 0.008 0.000 0.204 270 K C 2.200 178.760 176.600 -0.066 0.000 1.050 270 K CA 1.084 57.335 56.287 -0.060 0.000 0.942 270 K CB -0.491 31.948 32.500 -0.102 0.000 0.724 270 K HN 0.298 nan 8.250 nan 0.000 0.446 271 C N 1.006 120.285 119.300 -0.035 0.000 2.446 271 C HA -0.032 4.433 4.460 0.008 0.000 0.277 271 C C 2.754 177.765 174.990 0.035 0.000 1.275 271 C CA 0.443 59.449 59.018 -0.020 0.000 1.727 271 C CB -0.473 27.265 27.740 -0.003 0.000 2.010 271 C HN 0.516 nan 8.230 nan 0.000 0.486 272 K N 1.194 121.659 120.400 0.107 0.000 2.063 272 K HA -0.200 4.125 4.320 0.008 0.000 0.208 272 K C 1.899 178.456 176.600 -0.072 0.000 1.048 272 K CA 1.635 57.912 56.287 -0.017 0.000 0.928 272 K CB -0.184 32.170 32.500 -0.243 0.000 0.713 272 K HN 0.530 nan 8.250 nan 0.000 0.442 273 E N -0.149 120.015 120.200 -0.060 0.000 2.058 273 E HA -0.213 4.142 4.350 0.008 0.000 0.194 273 E C 1.958 178.518 176.600 -0.067 0.000 0.997 273 E CA 1.216 57.577 56.400 -0.064 0.000 0.801 273 E CB -0.179 29.488 29.700 -0.055 0.000 0.746 273 E HN 0.472 nan 8.360 nan 0.000 0.450 274 A N 0.872 123.646 122.820 -0.077 0.000 2.024 274 A HA -0.144 4.181 4.320 0.008 0.000 0.220 274 A C 2.263 179.801 177.584 -0.076 0.000 1.164 274 A CA 1.626 53.607 52.037 -0.093 0.000 0.643 274 A CB -0.416 18.503 19.000 -0.136 0.000 0.806 274 A HN 0.259 nan 8.150 nan 0.000 0.451 275 V N -3.330 116.548 119.914 -0.060 0.000 3.483 275 V HA 0.204 4.329 4.120 0.008 0.000 0.301 275 V C 1.005 177.071 176.094 -0.047 0.000 1.389 275 V CA 1.160 63.430 62.300 -0.050 0.000 1.101 275 V CB -0.652 31.148 31.823 -0.038 0.000 0.971 275 V HN 0.554 nan 8.190 nan 0.000 0.434 276 T N -2.929 111.592 114.554 -0.055 0.000 3.145 276 T HA 0.284 4.639 4.350 0.008 0.000 0.281 276 T C 0.438 175.111 174.700 -0.046 0.000 1.003 276 T CA 0.076 62.144 62.100 -0.054 0.000 0.901 276 T CB -0.626 68.198 68.868 -0.074 0.000 1.112 276 T HN 0.483 nan 8.240 nan 0.000 0.535 277 N N 1.969 120.643 118.700 -0.044 0.000 2.444 277 N HA 0.187 4.932 4.740 0.008 0.000 0.255 277 N C 0.054 175.546 175.510 -0.030 0.000 1.255 277 N CA 0.309 53.337 53.050 -0.037 0.000 0.933 277 N CB 0.285 38.748 38.487 -0.039 0.000 1.143 277 N HN 0.175 nan 8.380 nan 0.000 0.453 278 D N 1.336 121.721 120.400 -0.025 0.000 2.692 278 D HA -0.185 4.460 4.640 0.008 0.000 0.233 278 D C 0.838 177.127 176.300 -0.019 0.000 1.172 278 D CA 1.858 55.846 54.000 -0.020 0.000 0.636 278 D CB -1.385 39.404 40.800 -0.018 0.000 1.028 278 D HN 0.955 nan 8.370 nan 0.000 0.419 279 G N -0.313 108.475 108.800 -0.020 0.000 2.205 279 G HA2 -0.429 3.536 3.960 0.008 0.000 0.269 279 G HA3 -0.429 3.536 3.960 0.008 0.000 0.269 279 G C 0.626 175.515 174.900 -0.018 0.000 0.977 279 G CA 1.042 46.130 45.100 -0.019 0.000 0.652 279 G HN 0.654 nan 8.290 nan 0.000 0.539 280 K N -0.194 120.194 120.400 -0.020 0.000 2.180 280 K HA 0.524 4.849 4.320 0.008 0.000 0.251 280 K C 0.426 177.015 176.600 -0.018 0.000 1.014 280 K CA -0.167 56.109 56.287 -0.018 0.000 0.913 280 K CB 0.323 32.810 32.500 -0.021 0.000 1.008 280 K HN 0.047 nan 8.250 nan 0.000 0.490 281 R N 1.466 121.961 120.500 -0.008 0.000 2.513 281 R HA 0.234 4.580 4.340 0.008 0.000 0.283 281 R C -0.025 176.285 176.300 0.018 0.000 1.535 281 R CA -0.430 55.671 56.100 0.002 0.000 1.315 281 R CB 1.049 31.357 30.300 0.014 0.000 1.163 281 R HN 0.894 nan 8.270 nan 0.000 0.573 282 G N 1.376 110.178 108.800 0.003 0.000 2.582 282 G HA2 0.441 4.406 3.960 0.008 0.000 0.232 282 G HA3 0.441 4.406 3.960 0.008 0.000 0.232 282 G C -0.333 174.576 174.900 0.015 0.000 1.458 282 G CA -0.250 44.851 45.100 0.001 0.000 1.062 282 G HN 0.376 nan 8.290 nan 0.000 0.566 283 K N -3.025 117.350 120.400 -0.042 0.000 2.533 283 K HA 0.676 5.001 4.320 0.008 0.000 0.284 283 K C -1.961 174.533 176.600 -0.176 0.000 1.025 283 K CA -0.903 55.310 56.287 -0.123 0.000 0.900 283 K CB 1.946 34.320 32.500 -0.209 0.000 1.519 283 K HN 0.307 nan 8.250 nan 0.000 0.432 284 V N 1.092 120.828 119.914 -0.296 0.000 2.588 284 V HA 0.442 4.567 4.120 0.008 0.000 0.304 284 V C -1.008 174.836 176.094 -0.417 0.000 1.042 284 V CA -0.577 61.535 62.300 -0.314 0.000 0.877 284 V CB 1.945 33.567 31.823 -0.335 0.000 0.996 284 V HN 0.884 nan 8.190 nan 0.000 0.425 285 T N 6.312 120.668 114.554 -0.330 0.000 2.779 285 T HA 0.695 5.050 4.350 0.008 0.000 0.280 285 T C -0.400 174.142 174.700 -0.263 0.000 0.987 285 T CA -0.116 61.792 62.100 -0.320 0.000 0.966 285 T CB 0.942 69.624 68.868 -0.309 0.000 0.933 285 T HN 0.377 nan 8.240 nan 0.000 0.442 286 I N 3.494 123.894 120.570 -0.284 0.000 2.474 286 I HA 0.512 4.687 4.170 0.008 0.000 0.294 286 I C -0.561 175.425 176.117 -0.218 0.000 1.005 286 I CA -0.863 60.294 61.300 -0.240 0.000 1.113 286 I CB 1.862 39.662 38.000 -0.334 0.000 1.289 286 I HN 0.471 nan 8.210 nan 0.000 0.436 287 I N 5.605 126.074 120.570 -0.167 0.000 2.410 287 I HA 0.462 4.637 4.170 0.008 0.000 0.286 287 I C -0.984 175.018 176.117 -0.190 0.000 1.009 287 I CA -0.188 60.998 61.300 -0.189 0.000 1.111 287 I CB 1.162 39.034 38.000 -0.214 0.000 1.262 287 I HN 0.518 nan 8.210 nan 0.000 0.443 288 D N 4.873 125.194 120.400 -0.132 0.000 2.725 288 D HA 0.386 5.031 4.640 0.008 0.000 0.292 288 D C -0.752 175.614 176.300 0.110 0.000 1.288 288 D CA -0.567 53.435 54.000 0.002 0.000 0.784 288 D CB 1.745 42.691 40.800 0.244 0.000 1.308 288 D HN 0.234 nan 8.370 nan 0.000 0.429 289 M N 0.455 120.188 119.600 0.221 0.000 2.240 289 M HA 0.342 4.827 4.480 0.008 0.000 0.333 289 M C -0.197 176.336 176.300 0.389 0.000 1.110 289 M CA -0.109 55.347 55.300 0.261 0.000 1.173 289 M CB 0.872 33.621 32.600 0.249 0.000 1.458 289 M HN -0.014 nan 8.290 nan 0.000 0.458 290 V N 3.955 124.053 119.914 0.306 0.000 2.447 290 V HA 0.384 4.509 4.120 0.008 0.000 0.292 290 V C -0.135 176.103 176.094 0.240 0.000 1.021 290 V CA -0.632 61.885 62.300 0.361 0.000 0.850 290 V CB 1.467 33.438 31.823 0.246 0.000 1.005 290 V HN 0.675 nan 8.190 nan 0.000 0.426 291 I N 4.225 124.919 120.570 0.207 0.000 2.588 291 I HA 0.266 4.441 4.170 0.008 0.000 0.283 291 I C -0.078 176.114 176.117 0.125 0.000 1.119 291 I CA 0.575 61.959 61.300 0.139 0.000 1.419 291 I CB 0.733 38.787 38.000 0.091 0.000 1.394 291 I HN 0.591 nan 8.210 nan 0.000 0.562 292 D N 6.057 126.520 120.400 0.105 0.000 2.411 292 D HA 0.125 4.770 4.640 0.008 0.000 0.239 292 D C 0.483 176.826 176.300 0.071 0.000 1.307 292 D CA -0.427 53.626 54.000 0.089 0.000 0.930 292 D CB 0.843 41.699 40.800 0.092 0.000 1.395 292 D HN 0.395 nan 8.370 nan 0.000 0.536 293 K N 1.034 121.470 120.400 0.060 0.000 2.209 293 K HA -0.130 4.195 4.320 0.008 0.000 0.204 293 K C 1.736 178.362 176.600 0.043 0.000 1.048 293 K CA 1.007 57.323 56.287 0.050 0.000 0.940 293 K CB 0.344 32.869 32.500 0.041 0.000 0.729 293 K HN 0.372 nan 8.250 nan 0.000 0.451 294 K N -0.072 120.354 120.400 0.044 0.000 2.356 294 K HA 0.082 4.407 4.320 0.008 0.000 0.195 294 K C 1.387 178.008 176.600 0.036 0.000 1.037 294 K CA 0.376 56.684 56.287 0.037 0.000 1.014 294 K CB 0.328 32.849 32.500 0.035 0.000 0.815 294 K HN -0.089 nan 8.250 nan 0.000 0.507 295 K N 1.051 121.476 120.400 0.042 0.000 2.287 295 K HA 0.129 4.454 4.320 0.008 0.000 0.199 295 K C 0.071 176.692 176.600 0.035 0.000 1.061 295 K CA 0.374 56.684 56.287 0.038 0.000 0.976 295 K CB 0.025 32.551 32.500 0.044 0.000 0.898 295 K HN 0.100 nan 8.250 nan 0.000 0.492 296 D N 2.220 122.646 120.400 0.045 0.000 2.362 296 D HA -0.002 4.643 4.640 0.008 0.000 0.242 296 D C 0.150 176.471 176.300 0.035 0.000 1.132 296 D CA 0.049 54.075 54.000 0.043 0.000 0.907 296 D CB 0.679 41.519 40.800 0.066 0.000 1.195 296 D HN 0.063 nan 8.370 nan 0.000 0.429 297 E N 0.788 121.003 120.200 0.025 0.000 2.398 297 E HA -0.080 4.275 4.350 0.008 0.000 0.263 297 E C 1.034 177.655 176.600 0.035 0.000 1.046 297 E CA -0.267 56.145 56.400 0.020 0.000 0.908 297 E CB 0.525 30.228 29.700 0.005 0.000 0.963 297 E HN 0.392 nan 8.360 nan 0.000 0.431 298 N N 2.780 121.499 118.700 0.032 0.000 2.094 298 N HA -0.316 4.429 4.740 0.008 0.000 0.191 298 N C 1.710 177.253 175.510 0.054 0.000 1.023 298 N CA 1.682 54.756 53.050 0.040 0.000 0.857 298 N CB -0.015 38.491 38.487 0.031 0.000 1.013 298 N HN 0.728 nan 8.380 nan 0.000 0.426 299 Q N 0.645 120.474 119.800 0.049 0.000 2.096 299 Q HA -0.134 4.211 4.340 0.008 0.000 0.204 299 Q C 2.051 178.123 176.000 0.120 0.000 0.982 299 Q CA 1.656 57.499 55.803 0.067 0.000 0.850 299 Q CB 0.094 28.859 28.738 0.045 0.000 0.901 299 Q HN 0.282 nan 8.270 nan 0.000 0.422 300 V N 0.510 120.492 119.914 0.114 0.000 2.307 300 V HA -0.224 3.901 4.120 0.008 0.000 0.245 300 V C 2.332 178.560 176.094 0.223 0.000 1.045 300 V CA 2.117 64.534 62.300 0.195 0.000 1.024 300 V CB -0.924 30.945 31.823 0.077 0.000 0.651 300 V HN 0.446 nan 8.190 nan 0.000 0.449 301 T N -0.682 113.953 114.554 0.135 0.000 2.720 301 T HA -0.227 4.129 4.350 0.008 0.000 0.268 301 T C 2.005 176.766 174.700 0.102 0.000 1.037 301 T CA 1.361 63.529 62.100 0.113 0.000 1.144 301 T CB -0.265 68.649 68.868 0.078 0.000 0.864 301 T HN 0.385 nan 8.240 nan 0.000 0.444 302 Q N 0.300 120.157 119.800 0.094 0.000 2.124 302 Q HA -0.005 4.340 4.340 0.008 0.000 0.202 302 Q C 2.395 178.433 176.000 0.063 0.000 0.977 302 Q CA 0.931 56.777 55.803 0.071 0.000 0.850 302 Q CB -0.433 28.344 28.738 0.065 0.000 0.901 302 Q HN 0.442 nan 8.270 nan 0.000 0.429 303 I N 0.984 121.612 120.570 0.097 0.000 2.252 303 I HA -0.209 3.966 4.170 0.008 0.000 0.245 303 I C 2.030 178.114 176.117 -0.056 0.000 1.102 303 I CA 1.191 62.497 61.300 0.009 0.000 1.385 303 I CB -0.775 37.228 38.000 0.006 0.000 1.064 303 I HN 0.199 nan 8.210 nan 0.000 0.414 304 K N 0.519 120.941 120.400 0.037 0.000 2.057 304 K HA -0.121 4.204 4.320 0.008 0.000 0.207 304 K C 2.161 178.776 176.600 0.024 0.000 1.049 304 K CA 1.112 57.422 56.287 0.038 0.000 0.931 304 K CB -0.220 32.357 32.500 0.129 0.000 0.714 304 K HN 0.266 nan 8.250 nan 0.000 0.440 305 L N 0.728 121.970 121.223 0.031 0.000 2.141 305 L HA -0.169 4.176 4.340 0.008 0.000 0.209 305 L C 2.402 179.272 176.870 -0.000 0.000 1.094 305 L CA 0.428 55.280 54.840 0.019 0.000 0.763 305 L CB -0.341 41.734 42.059 0.026 0.000 0.908 305 L HN 0.178 nan 8.230 nan 0.000 0.437 306 L N -0.924 120.293 121.223 -0.011 0.000 2.072 306 L HA -0.157 4.188 4.340 0.008 0.000 0.205 306 L C 2.434 179.270 176.870 -0.056 0.000 1.079 306 L CA 1.687 56.508 54.840 -0.031 0.000 0.752 306 L CB -0.374 41.663 42.059 -0.036 0.000 0.906 306 L HN 0.131 nan 8.230 nan 0.000 0.436 307 M N -0.402 119.159 119.600 -0.065 0.000 2.159 307 M HA -0.205 4.280 4.480 0.008 0.000 0.263 307 M C 2.011 178.288 176.300 -0.038 0.000 1.063 307 M CA 1.838 57.101 55.300 -0.063 0.000 1.110 307 M CB -1.277 31.292 32.600 -0.052 0.000 1.374 307 M HN 0.457 nan 8.290 nan 0.000 0.411 308 D N 0.030 120.420 120.400 -0.017 0.000 2.117 308 D HA -0.124 4.521 4.640 0.008 0.000 0.197 308 D C 1.883 178.163 176.300 -0.033 0.000 0.987 308 D CA 1.135 55.124 54.000 -0.017 0.000 0.829 308 D CB 0.246 41.042 40.800 -0.006 0.000 0.961 308 D HN 0.107 nan 8.370 nan 0.000 0.460 309 V N 0.921 120.818 119.914 -0.028 0.000 2.427 309 V HA -0.207 3.918 4.120 0.008 0.000 0.248 309 V C 2.348 178.414 176.094 -0.046 0.000 1.051 309 V CA 1.803 64.090 62.300 -0.021 0.000 1.048 309 V CB -0.852 30.966 31.823 -0.008 0.000 0.666 309 V HN 0.447 nan 8.190 nan 0.000 0.456 310 N N 0.087 118.741 118.700 -0.076 0.000 2.272 310 N HA -0.197 4.548 4.740 0.008 0.000 0.185 310 N C 1.629 177.058 175.510 -0.134 0.000 1.014 310 N CA 1.162 54.154 53.050 -0.097 0.000 0.870 310 N CB -0.060 38.334 38.487 -0.154 0.000 0.975 310 N HN 0.267 nan 8.380 nan 0.000 0.433 311 M N 0.840 120.335 119.600 -0.176 0.000 2.700 311 M HA 0.026 4.511 4.480 0.008 0.000 0.249 311 M C 2.004 178.081 176.300 -0.371 0.000 1.082 311 M CA -0.041 55.092 55.300 -0.279 0.000 1.077 311 M CB -1.395 31.075 32.600 -0.217 0.000 1.477 311 M HN 0.171 nan 8.290 nan 0.000 0.529 312 A N 0.391 122.967 122.820 -0.406 0.000 1.986 312 A HA -0.222 4.103 4.320 0.008 0.000 0.220 312 A C 2.506 179.496 177.584 -0.990 0.000 1.171 312 A CA 1.907 53.507 52.037 -0.728 0.000 0.640 312 A CB -1.311 17.005 19.000 -1.140 0.000 0.811 312 A HN 0.738 nan 8.150 nan 0.000 0.451 313 C N -1.555 117.136 119.300 -1.016 0.000 2.391 313 C HA -0.060 4.405 4.460 0.008 0.000 0.276 313 C C 1.870 176.162 174.990 -1.164 0.000 1.217 313 C CA 1.118 59.226 59.018 -1.517 0.000 1.766 313 C CB -1.556 24.972 27.740 -2.020 0.000 2.046 313 C HN 0.464 nan 8.230 nan 0.000 0.475 314 L N 0.574 121.320 121.223 -0.795 0.000 3.122 314 L HA 0.305 4.650 4.340 0.008 0.000 0.274 314 L C 0.490 177.155 176.870 -0.342 0.000 1.222 314 L CA -0.008 54.489 54.840 -0.570 0.000 1.028 314 L CB -0.943 40.750 42.059 -0.610 0.000 1.386 314 L HN 0.447 nan 8.230 nan 0.000 0.578 315 N N 0.284 118.838 118.700 -0.243 0.000 2.741 315 N HA -0.160 4.585 4.740 0.008 0.000 0.250 315 N C 0.779 176.254 175.510 -0.060 0.000 1.115 315 N CA 0.249 53.290 53.050 -0.015 0.000 0.724 315 N CB -0.517 38.016 38.487 0.076 0.000 1.090 315 N HN 0.586 nan 8.380 nan 0.000 0.558 316 G N 0.403 109.100 108.800 -0.172 0.000 2.535 316 G HA2 0.543 4.508 3.960 0.008 0.000 0.282 316 G HA3 0.543 4.508 3.960 0.008 0.000 0.282 316 G C -0.252 174.597 174.900 -0.085 0.000 1.350 316 G CA -0.060 44.954 45.100 -0.143 0.000 1.039 316 G HN 0.183 nan 8.290 nan 0.000 0.509 317 K N -0.936 119.427 120.400 -0.062 0.000 2.598 317 K HA 0.228 4.553 4.320 0.008 0.000 0.271 317 K C -1.642 174.943 176.600 -0.024 0.000 0.947 317 K CA -0.635 55.619 56.287 -0.055 0.000 0.854 317 K CB 1.847 34.294 32.500 -0.087 0.000 1.401 317 K HN 0.390 nan 8.250 nan 0.000 0.415 318 E N 3.038 123.228 120.200 -0.017 0.000 2.151 318 E HA 0.350 4.705 4.350 0.008 0.000 0.275 318 E C -0.733 175.811 176.600 -0.094 0.000 0.936 318 E CA -0.595 55.821 56.400 0.026 0.000 0.777 318 E CB 1.793 31.548 29.700 0.092 0.000 1.108 318 E HN 0.422 nan 8.360 nan 0.000 0.401 319 R N 1.686 122.044 120.500 -0.237 0.000 2.668 319 R HA 0.300 4.645 4.340 0.008 0.000 0.279 319 R C 0.355 176.545 176.300 -0.183 0.000 0.976 319 R CA -0.826 55.004 56.100 -0.451 0.000 0.978 319 R CB 0.944 30.473 30.300 -1.286 0.000 1.133 319 R HN 0.521 nan 8.270 nan 0.000 0.484 320 N N -0.284 118.341 118.700 -0.125 0.000 2.448 320 N HA -0.020 4.725 4.740 0.008 0.000 0.274 320 N C 0.559 176.147 175.510 0.129 0.000 1.239 320 N CA -0.602 52.478 53.050 0.049 0.000 0.982 320 N CB 0.465 38.970 38.487 0.030 0.000 1.199 320 N HN 0.684 nan 8.380 nan 0.000 0.576 321 E N -0.785 119.531 120.200 0.193 0.000 2.118 321 E HA -0.238 4.117 4.350 0.008 0.000 0.195 321 E C 0.863 177.521 176.600 0.096 0.000 0.992 321 E CA 1.104 57.630 56.400 0.210 0.000 0.804 321 E CB 0.060 29.885 29.700 0.208 0.000 0.741 321 E HN 0.541 nan 8.360 nan 0.000 0.458 322 E N 0.531 120.763 120.200 0.053 0.000 2.150 322 E HA -0.176 4.179 4.350 0.008 0.000 0.193 322 E C 1.901 178.462 176.600 -0.065 0.000 0.985 322 E CA 0.946 57.353 56.400 0.013 0.000 0.814 322 E CB -0.033 29.678 29.700 0.019 0.000 0.752 322 E HN 0.452 nan 8.360 nan 0.000 0.466 323 E N -0.438 119.690 120.200 -0.120 0.000 2.072 323 E HA -0.154 4.201 4.350 0.008 0.000 0.191 323 E C 1.988 178.390 176.600 -0.331 0.000 0.985 323 E CA 0.770 57.032 56.400 -0.229 0.000 0.801 323 E CB -0.197 29.322 29.700 -0.302 0.000 0.750 323 E HN 0.323 nan 8.360 nan 0.000 0.452 324 W N 1.605 122.665 121.300 -0.400 0.000 2.354 324 W HA -0.175 4.490 4.660 0.008 0.000 0.315 324 W C 2.532 178.306 176.519 -1.242 0.000 1.206 324 W CA 0.921 57.768 57.345 -0.830 0.000 1.290 324 W CB -0.038 29.024 29.460 -0.663 0.000 1.152 324 W HN -0.004 nan 8.180 nan 0.000 0.489 325 K N 1.230 121.323 120.400 -0.511 0.000 2.032 325 K HA -0.281 4.044 4.320 0.008 0.000 0.209 325 K C 2.087 178.592 176.600 -0.159 0.000 1.048 325 K CA 1.906 57.982 56.287 -0.352 0.000 0.927 325 K CB -0.360 32.114 32.500 -0.044 0.000 0.712 325 K HN -0.012 nan 8.250 nan 0.000 0.441 326 K N 0.621 120.938 120.400 -0.138 0.000 2.097 326 K HA -0.134 4.191 4.320 0.008 0.000 0.206 326 K C 2.134 178.700 176.600 -0.057 0.000 1.049 326 K CA 1.255 57.506 56.287 -0.059 0.000 0.933 326 K CB -0.041 32.422 32.500 -0.062 0.000 0.717 326 K HN 0.181 nan 8.250 nan 0.000 0.442 327 L N -0.102 121.018 121.223 -0.171 0.000 2.027 327 L HA -0.137 4.208 4.340 0.008 0.000 0.206 327 L C 2.305 179.239 176.870 0.107 0.000 1.074 327 L CA 1.344 56.140 54.840 -0.074 0.000 0.745 327 L CB -0.467 41.513 42.059 -0.132 0.000 0.898 327 L HN 0.212 nan 8.230 nan 0.000 0.433 328 F N -0.028 119.967 119.950 0.075 0.000 2.126 328 F HA -0.275 4.257 4.527 0.008 0.000 0.299 328 F C 2.466 178.403 175.800 0.229 0.000 1.096 328 F CA 0.805 58.866 58.000 0.101 0.000 1.255 328 F CB -0.277 38.723 39.000 -0.000 0.000 0.997 328 F HN 0.008 nan 8.300 nan 0.000 0.479 329 I N 0.160 120.935 120.570 0.341 0.000 2.252 329 I HA -0.270 3.905 4.170 0.008 0.000 0.245 329 I C 2.436 178.676 176.117 0.204 0.000 1.102 329 I CA 1.473 62.930 61.300 0.261 0.000 1.385 329 I CB -0.430 37.685 38.000 0.192 0.000 1.064 329 I HN 0.158 nan 8.210 nan 0.000 0.414 330 E N 1.112 121.411 120.200 0.166 0.000 2.204 330 E HA -0.175 4.180 4.350 0.008 0.000 0.194 330 E C 1.982 178.675 176.600 0.156 0.000 0.989 330 E CA 1.003 57.480 56.400 0.129 0.000 0.824 330 E CB 0.050 29.805 29.700 0.091 0.000 0.756 330 E HN 0.482 nan 8.360 nan 0.000 0.477 331 A N -0.192 122.775 122.820 0.245 0.000 2.238 331 A HA 0.267 4.592 4.320 0.008 0.000 0.208 331 A C 1.533 179.236 177.584 0.198 0.000 1.177 331 A CA 0.770 52.974 52.037 0.278 0.000 0.804 331 A CB -0.264 19.001 19.000 0.442 0.000 0.823 331 A HN 0.410 nan 8.150 nan 0.000 0.482 332 G N -1.839 107.061 108.800 0.167 0.000 2.132 332 G HA2 -0.227 3.738 3.960 0.008 0.000 0.228 332 G HA3 -0.227 3.738 3.960 0.008 0.000 0.228 332 G C -0.138 174.688 174.900 -0.124 0.000 1.000 332 G CA -0.007 45.096 45.100 0.006 0.000 0.693 332 G HN 0.282 nan 8.290 nan 0.000 0.515 333 F N 0.446 120.454 119.950 0.096 0.000 2.375 333 F HA 0.484 5.016 4.527 0.009 0.000 0.333 333 F C 1.775 177.657 175.800 0.137 0.000 1.104 333 F CA -0.231 57.815 58.000 0.077 0.000 1.149 333 F CB 1.147 40.158 39.000 0.018 0.000 1.190 333 F HN 0.068 nan 8.300 nan 0.000 0.533 334 Q N 0.717 120.682 119.800 0.275 0.000 2.250 334 Q HA 0.050 4.395 4.340 0.008 0.000 0.200 334 Q C -0.519 175.722 176.000 0.401 0.000 0.941 334 Q CA 0.814 56.791 55.803 0.290 0.000 0.872 334 Q CB 0.252 29.150 28.738 0.267 0.000 0.965 334 Q HN 0.835 nan 8.270 nan 0.000 0.480 335 H N -2.945 116.298 119.070 0.288 0.000 2.981 335 H HA 0.483 5.044 4.556 0.009 0.000 0.327 335 H C -1.370 174.182 175.328 0.373 0.000 1.342 335 H CA -1.320 54.883 56.048 0.257 0.000 1.123 335 H CB 0.770 30.582 29.762 0.084 0.000 1.851 335 H HN 0.033 nan 8.280 nan 0.000 0.531 336 Y N -1.235 119.162 120.300 0.161 0.000 2.615 336 Y HA 0.755 5.309 4.550 0.008 0.000 0.341 336 Y C -1.752 174.231 175.900 0.138 0.000 1.089 336 Y CA -1.328 56.786 58.100 0.024 0.000 1.049 336 Y CB 1.930 40.355 38.460 -0.058 0.000 1.296 336 Y HN 0.765 nan 8.280 nan 0.000 0.470 337 K N 2.605 123.105 120.400 0.167 0.000 2.513 337 K HA 0.618 4.943 4.320 0.008 0.000 0.251 337 K C -1.732 174.948 176.600 0.134 0.000 0.939 337 K CA -0.622 55.722 56.287 0.094 0.000 0.793 337 K CB 2.871 35.436 32.500 0.108 0.000 1.241 337 K HN 0.699 nan 8.250 nan 0.000 0.431 338 I N 1.588 122.234 120.570 0.126 0.000 2.404 338 I HA 0.342 4.517 4.170 0.008 0.000 0.293 338 I C -0.441 175.697 176.117 0.036 0.000 0.992 338 I CA -0.521 60.831 61.300 0.087 0.000 1.149 338 I CB 2.092 40.171 38.000 0.131 0.000 1.315 338 I HN 0.485 nan 8.210 nan 0.000 0.446 339 S N 5.729 121.446 115.700 0.028 0.000 2.570 339 S HA 0.579 5.054 4.470 0.008 0.000 0.286 339 S C -2.662 171.963 174.600 0.042 0.000 1.099 339 S CA -1.243 56.971 58.200 0.023 0.000 0.913 339 S CB 2.248 65.474 63.200 0.042 0.000 1.085 339 S HN 0.295 nan 8.310 nan 0.000 0.480 340 P HA 0.350 nan 4.420 nan 0.000 0.278 340 P C 0.080 177.411 177.300 0.051 0.000 1.238 340 P CA -0.439 62.683 63.100 0.037 0.000 0.794 340 P CB 0.732 32.447 31.700 0.026 0.000 0.955 341 L N 1.671 122.916 121.223 0.037 0.000 2.675 341 L HA 0.475 4.820 4.340 0.008 0.000 0.178 341 L C 0.186 177.071 176.870 0.025 0.000 1.135 341 L CA 1.345 56.208 54.840 0.038 0.000 0.855 341 L CB 0.066 42.133 42.059 0.012 0.000 1.235 341 L HN 0.454 nan 8.230 nan 0.000 0.499 342 T N -1.203 113.360 114.554 0.014 0.000 3.225 342 T HA 0.501 4.856 4.350 0.008 0.000 0.356 342 T C 0.132 174.834 174.700 0.003 0.000 1.460 342 T CA 0.093 62.197 62.100 0.008 0.000 1.126 342 T CB 0.490 69.367 68.868 0.016 0.000 1.321 342 T HN 1.001 nan 8.240 nan 0.000 0.478 343 G N 3.737 112.510 108.800 -0.045 0.000 2.660 343 G HA2 -0.322 3.643 3.960 0.008 0.000 0.321 343 G HA3 -0.322 3.643 3.960 0.008 0.000 0.321 343 G C 0.634 175.434 174.900 -0.167 0.000 1.246 343 G CA 1.090 46.107 45.100 -0.139 0.000 1.000 343 G HN 0.858 nan 8.290 nan 0.000 0.550 344 F N 1.332 121.315 119.950 0.054 0.000 2.748 344 F HA 0.393 4.924 4.527 0.006 0.000 0.299 344 F C 1.494 177.329 175.800 0.058 0.000 1.154 344 F CA 0.334 58.373 58.000 0.065 0.000 1.446 344 F CB 0.028 39.082 39.000 0.090 0.000 1.112 344 F HN 0.071 nan 8.300 nan 0.000 0.584 345 L N -0.781 120.543 121.223 0.167 0.000 2.344 345 L HA 0.430 4.775 4.340 0.008 0.000 0.272 345 L C 0.193 177.086 176.870 0.038 0.000 1.035 345 L CA -0.571 54.317 54.840 0.081 0.000 0.807 345 L CB 1.577 43.627 42.059 -0.016 0.000 1.237 345 L HN -0.234 nan 8.230 nan 0.000 0.442 346 S N 2.003 117.712 115.700 0.015 0.000 2.704 346 S HA 0.596 5.071 4.470 0.008 0.000 0.305 346 S C -1.108 173.459 174.600 -0.055 0.000 1.107 346 S CA -0.584 57.612 58.200 -0.006 0.000 0.993 346 S CB 2.102 65.301 63.200 -0.002 0.000 1.110 346 S HN 0.348 nan 8.310 nan 0.000 0.534 347 L N 2.762 123.965 121.223 -0.034 0.000 2.325 347 L HA 0.620 4.965 4.340 0.008 0.000 0.281 347 L C -1.556 175.269 176.870 -0.075 0.000 1.004 347 L CA -0.469 54.341 54.840 -0.051 0.000 0.823 347 L CB 0.407 42.493 42.059 0.044 0.000 1.236 347 L HN 0.665 nan 8.230 nan 0.000 0.415 348 I N 4.512 124.973 120.570 -0.182 0.000 2.433 348 I HA 0.402 4.577 4.170 0.008 0.000 0.292 348 I C -0.179 175.762 176.117 -0.294 0.000 1.001 348 I CA -0.556 60.608 61.300 -0.226 0.000 1.119 348 I CB 2.249 40.009 38.000 -0.400 0.000 1.289 348 I HN 0.504 nan 8.210 nan 0.000 0.438 349 E N 6.868 126.906 120.200 -0.270 0.000 2.199 349 E HA 0.608 4.963 4.350 0.008 0.000 0.269 349 E C -1.065 175.075 176.600 -0.768 0.000 0.899 349 E CA -0.769 55.339 56.400 -0.487 0.000 0.772 349 E CB 3.181 32.684 29.700 -0.328 0.000 1.155 349 E HN 0.526 nan 8.360 nan 0.000 0.408 350 I N -0.837 119.124 120.570 -1.016 0.000 2.569 350 I HA 0.515 4.690 4.170 0.008 0.000 0.296 350 I C -1.354 174.264 176.117 -0.831 0.000 1.028 350 I CA -1.076 59.643 61.300 -0.968 0.000 1.082 350 I CB 1.214 38.415 38.000 -1.332 0.000 1.264 350 I HN 0.390 nan 8.210 nan 0.000 0.429 351 Y N 5.368 125.598 120.300 -0.116 0.000 2.326 351 Y HA 0.540 5.095 4.550 0.008 0.000 0.331 351 Y C -2.328 173.638 175.900 0.111 0.000 0.962 351 Y CA -2.369 55.704 58.100 -0.045 0.000 1.167 351 Y CB 1.423 39.670 38.460 -0.354 0.000 1.148 351 Y HN 0.451 nan 8.280 nan 0.000 0.463 352 P HA 0.000 nan 4.420 nan 0.000 0.216 352 P CA 0.000 62.995 63.100 -0.174 0.000 0.800 352 P CB 0.000 31.527 31.700 -0.289 0.000 0.726