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 3mvz_1_A DATA FIRST_RESID 2 DATA SEQUENCE APDEITTAWP VNVGPLNPHL YTPNQMFAQS MVYEPLVKYQ ADGSVIPWLA DATA SEQUENCE KSWTHSEDGK TWTFTLRDDV KFSNGEPFDA EAAAENFRAV LDNRQRHAWL DATA SEQUENCE ELANQIVDVK ALSKTELQIT LKSAYYPFLQ ELALPRPFRF IAPSQFKNHE DATA SEQUENCE TMNGIKAPIG TGPWILQESK LNQYDVFVRN ENYWGEKPAI KKITFNVIPD DATA SEQUENCE PTTRAVAFET GDIDLLYGNE GLLPLDTFAR FSQNPAYHTQ LSQPIETVML DATA SEQUENCE ALNTAKAPTN ELAVREALNY AVNKKSLIDN ALYGTQQVAD TLFAPSVPYA DATA SEQUENCE NLGLKPSQYD PQKAKALLEK AGWTLPAGKD IREKNGQPLR IELSFIGTDA DATA SEQUENCE LSKSMAEIIQ ADMRQIGADV SLIGEEESSI YARQRDGRFG MIFHRTWGAP DATA SEQUENCE YDPHAFLSSM RVPSHADFQA QQGLADKPLI DKEIGEVLAT HDETQRQALY DATA SEQUENCE RDILTRLHDE AVYLPISYIS MMVVSKPELG NIPYAPIATE IPFEQIKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.014 0.000 0.831 3 P HA 0.039 nan 4.420 nan 0.000 0.242 3 P C -0.321 176.986 177.300 0.012 0.000 1.197 3 P CA 1.526 64.628 63.100 0.003 0.000 0.765 3 P CB -0.094 31.608 31.700 0.003 0.000 0.936 4 D N -1.508 118.901 120.400 0.016 0.000 2.535 4 D HA 0.097 4.766 4.640 0.049 0.000 0.229 4 D C -0.094 176.227 176.300 0.035 0.000 1.238 4 D CA -0.274 53.745 54.000 0.033 0.000 0.824 4 D CB 0.003 40.825 40.800 0.036 0.000 1.045 4 D HN 0.131 nan 8.370 nan 0.000 0.500 5 E N 0.827 121.034 120.200 0.011 0.000 2.222 5 E HA 0.580 4.959 4.350 0.049 0.000 0.267 5 E C -0.190 176.390 176.600 -0.034 0.000 0.884 5 E CA -0.966 55.428 56.400 -0.009 0.000 0.764 5 E CB 2.789 32.479 29.700 -0.017 0.000 1.169 5 E HN 0.281 nan 8.360 nan 0.000 0.413 6 I N -1.616 118.909 120.570 -0.075 0.000 2.785 6 I HA 0.634 4.833 4.170 0.049 0.000 0.302 6 I C -0.796 175.226 176.117 -0.159 0.000 1.069 6 I CA -0.669 60.573 61.300 -0.096 0.000 1.045 6 I CB 2.547 40.498 38.000 -0.083 0.000 1.236 6 I HN 0.211 nan 8.210 nan 0.000 0.429 7 T N 2.882 117.360 114.554 -0.127 0.000 2.824 7 T HA 0.552 4.931 4.350 0.049 0.000 0.282 7 T C -0.283 174.340 174.700 -0.128 0.000 0.993 7 T CA -0.350 61.664 62.100 -0.144 0.000 0.967 7 T CB 1.799 70.618 68.868 -0.082 0.000 0.960 7 T HN 0.869 nan 8.240 nan 0.000 0.441 8 T N 0.938 115.364 114.554 -0.213 0.000 2.604 8 T HA 0.881 5.260 4.350 0.049 0.000 0.267 8 T C -1.582 173.129 174.700 0.017 0.000 0.923 8 T CA -0.327 61.703 62.100 -0.117 0.000 1.077 8 T CB 1.276 70.011 68.868 -0.221 0.000 1.392 8 T HN 0.840 nan 8.240 nan 0.000 0.531 9 A N 0.096 123.021 122.820 0.174 0.000 2.587 9 A HA 0.747 5.096 4.320 0.049 0.000 0.293 9 A C -1.997 175.911 177.584 0.539 0.000 1.087 9 A CA -0.715 51.507 52.037 0.308 0.000 0.692 9 A CB 1.408 20.530 19.000 0.203 0.000 1.291 9 A HN 0.735 nan 8.150 nan 0.000 0.407 10 W N 1.136 122.585 121.300 0.249 0.000 3.213 10 W HA 0.418 5.107 4.660 0.048 0.000 0.318 10 W C -2.748 173.865 176.519 0.156 0.000 1.248 10 W CA -1.751 55.723 57.345 0.215 0.000 1.187 10 W CB 2.242 31.887 29.460 0.307 0.000 1.403 10 W HN 0.501 nan 8.180 nan 0.000 0.556 11 P HA -0.096 nan 4.420 nan 0.000 0.226 11 P C 0.202 177.493 177.300 -0.014 0.000 1.153 11 P CA 1.360 64.341 63.100 -0.197 0.000 0.777 11 P CB 0.288 31.776 31.700 -0.353 0.000 0.794 12 V N -5.509 114.481 119.914 0.126 0.000 3.182 12 V HA 0.486 4.635 4.120 0.049 0.000 0.308 12 V C -0.451 175.834 176.094 0.318 0.000 1.240 12 V CA -1.563 60.855 62.300 0.197 0.000 1.063 12 V CB 1.234 33.159 31.823 0.170 0.000 1.076 12 V HN -0.296 nan 8.190 nan 0.000 0.446 13 N N 0.011 118.824 118.700 0.188 0.000 2.340 13 N HA 0.320 5.090 4.740 0.049 0.000 0.236 13 N C 1.196 176.774 175.510 0.114 0.000 1.296 13 N CA 0.349 53.483 53.050 0.140 0.000 0.896 13 N CB 1.134 39.650 38.487 0.047 0.000 1.127 13 N HN 0.902 nan 8.380 nan 0.000 0.442 14 V N -1.753 118.160 119.914 -0.002 0.000 2.970 14 V HA 0.266 4.415 4.120 0.049 0.000 0.260 14 V C 1.059 177.085 176.094 -0.114 0.000 1.100 14 V CA 0.859 63.067 62.300 -0.153 0.000 1.122 14 V CB -1.663 30.015 31.823 -0.242 0.000 0.721 14 V HN 0.899 nan 8.190 nan 0.000 0.483 15 G N 0.452 109.219 108.800 -0.055 0.000 2.660 15 G HA2 -0.119 3.870 3.960 0.049 0.000 0.247 15 G HA3 -0.119 3.870 3.960 0.049 0.000 0.247 15 G C -1.694 173.171 174.900 -0.058 0.000 1.328 15 G CA -0.197 44.875 45.100 -0.047 0.000 0.884 15 G HN 0.312 nan 8.290 nan 0.000 0.531 16 P HA 0.197 nan 4.420 nan 0.000 0.233 16 P C 1.176 178.459 177.300 -0.027 0.000 1.167 16 P CA 0.949 64.022 63.100 -0.044 0.000 0.770 16 P CB -0.070 31.605 31.700 -0.041 0.000 0.837 17 L N -2.046 119.164 121.223 -0.022 0.000 3.548 17 L HA -0.194 4.175 4.340 0.049 0.000 0.443 17 L C 0.211 177.128 176.870 0.078 0.000 1.286 17 L CA -0.275 54.600 54.840 0.059 0.000 0.863 17 L CB -2.395 39.723 42.059 0.099 0.000 1.734 17 L HN 0.203 nan 8.230 nan 0.000 0.873 18 N N 2.513 121.173 118.700 -0.065 0.000 2.431 18 N HA 0.146 4.915 4.740 0.049 0.000 0.265 18 N C -0.859 174.441 175.510 -0.350 0.000 1.184 18 N CA -1.511 51.419 53.050 -0.200 0.000 0.943 18 N CB 1.183 39.567 38.487 -0.170 0.000 1.080 18 N HN 0.099 nan 8.380 nan 0.000 0.477 19 P HA -0.084 nan 4.420 nan 0.000 0.226 19 P C -0.059 176.963 177.300 -0.463 0.000 1.153 19 P CA 1.399 64.007 63.100 -0.820 0.000 0.777 19 P CB 0.084 30.915 31.700 -1.448 0.000 0.794 20 H N -2.070 116.759 119.070 -0.401 0.000 2.672 20 H HA 0.340 4.925 4.556 0.049 0.000 0.277 20 H C 0.877 176.032 175.328 -0.289 0.000 1.074 20 H CA -0.564 55.269 56.048 -0.359 0.000 1.173 20 H CB 0.445 30.026 29.762 -0.301 0.000 1.558 20 H HN 0.069 nan 8.280 nan 0.000 0.539 21 L N -0.461 120.603 121.223 -0.265 0.000 2.235 21 L HA 0.392 4.761 4.340 0.049 0.000 0.260 21 L C -0.704 175.849 176.870 -0.529 0.000 1.025 21 L CA -1.165 53.503 54.840 -0.287 0.000 0.836 21 L CB 1.353 43.359 42.059 -0.088 0.000 1.395 21 L HN 0.056 nan 8.230 nan 0.000 0.443 22 Y N -1.258 119.022 120.300 -0.033 0.000 3.042 22 Y HA 0.265 4.845 4.550 0.049 0.000 0.339 22 Y C 0.808 176.668 175.900 -0.067 0.000 1.299 22 Y CA -0.473 57.588 58.100 -0.064 0.000 1.059 22 Y CB 0.081 38.484 38.460 -0.095 0.000 1.361 22 Y HN 0.371 nan 8.280 nan 0.000 0.755 23 T N 3.731 118.347 114.554 0.103 0.000 2.903 23 T HA -0.007 4.373 4.350 0.049 0.000 0.299 23 T C -1.532 173.187 174.700 0.032 0.000 1.041 23 T CA -0.770 61.355 62.100 0.042 0.000 1.138 23 T CB 0.071 68.956 68.868 0.028 0.000 1.040 23 T HN 0.416 nan 8.240 nan 0.000 0.524 24 P HA 0.085 nan 4.420 nan 0.000 0.249 24 P C -0.092 177.209 177.300 0.003 0.000 1.229 24 P CA -0.163 62.950 63.100 0.022 0.000 0.788 24 P CB 0.161 31.872 31.700 0.018 0.000 1.072 25 N N 2.041 120.725 118.700 -0.028 0.000 2.458 25 N HA 0.024 4.793 4.740 0.049 0.000 0.258 25 N C 0.282 175.743 175.510 -0.082 0.000 1.219 25 N CA 0.488 53.494 53.050 -0.074 0.000 0.902 25 N CB 0.546 38.968 38.487 -0.107 0.000 1.076 25 N HN 0.189 nan 8.380 nan 0.000 0.455 26 Q N 2.279 121.978 119.800 -0.168 0.000 2.290 26 Q HA 0.236 4.606 4.340 0.049 0.000 0.259 26 Q C 1.070 176.867 176.000 -0.339 0.000 0.941 26 Q CA -0.316 55.363 55.803 -0.207 0.000 0.912 26 Q CB 1.834 30.378 28.738 -0.322 0.000 1.244 26 Q HN 0.566 nan 8.270 nan 0.000 0.441 27 M N 1.464 120.972 119.600 -0.153 0.000 2.213 27 M HA -0.156 4.353 4.480 0.049 0.000 0.263 27 M C 1.505 177.716 176.300 -0.149 0.000 1.062 27 M CA 1.651 56.888 55.300 -0.105 0.000 1.105 27 M CB -0.235 32.366 32.600 0.002 0.000 1.385 27 M HN 0.650 nan 8.290 nan 0.000 0.417 28 F N -0.490 119.356 119.950 -0.174 0.000 2.234 28 F HA 0.106 4.662 4.527 0.049 0.000 0.299 28 F C 2.141 177.787 175.800 -0.257 0.000 1.087 28 F CA 0.929 58.796 58.000 -0.222 0.000 1.340 28 F CB -0.962 37.827 39.000 -0.352 0.000 1.031 28 F HN -0.028 nan 8.300 nan 0.000 0.500 29 A N 0.512 122.461 122.820 -1.452 0.000 1.898 29 A HA -0.075 4.274 4.320 0.049 0.000 0.214 29 A C 2.221 179.563 177.584 -0.402 0.000 1.183 29 A CA 1.101 52.499 52.037 -1.065 0.000 0.622 29 A CB -0.837 17.467 19.000 -1.159 0.000 0.824 29 A HN 0.539 nan 8.150 nan 0.000 0.444 30 Q N -0.033 119.603 119.800 -0.274 0.000 2.112 30 Q HA -0.146 4.223 4.340 0.049 0.000 0.206 30 Q C 2.243 178.285 176.000 0.070 0.000 0.987 30 Q CA 1.923 57.735 55.803 0.016 0.000 0.858 30 Q CB -0.215 28.523 28.738 0.000 0.000 0.905 30 Q HN 0.604 nan 8.270 nan 0.000 0.420 31 S N 0.054 115.747 115.700 -0.011 0.000 2.481 31 S HA -0.023 4.476 4.470 0.049 0.000 0.231 31 S C 1.713 176.357 174.600 0.073 0.000 0.996 31 S CA 0.693 58.925 58.200 0.054 0.000 0.942 31 S CB -0.016 63.215 63.200 0.052 0.000 0.768 31 S HN 0.317 nan 8.310 nan 0.000 0.520 32 M N 0.154 119.759 119.600 0.008 0.000 2.254 32 M HA -0.024 4.485 4.480 0.049 0.000 0.265 32 M C 1.724 178.112 176.300 0.148 0.000 1.066 32 M CA 1.142 56.511 55.300 0.115 0.000 1.123 32 M CB -0.123 32.349 32.600 -0.214 0.000 1.388 32 M HN 0.170 nan 8.290 nan 0.000 0.425 33 V N -2.027 117.871 119.914 -0.026 0.000 2.788 33 V HA 0.000 4.150 4.120 0.049 0.000 0.241 33 V C 0.221 176.140 176.094 -0.290 0.000 1.083 33 V CA 0.604 62.771 62.300 -0.221 0.000 1.103 33 V CB -0.095 31.417 31.823 -0.519 0.000 0.800 33 V HN 0.201 nan 8.190 nan 0.000 0.476 34 Y N 0.184 120.567 120.300 0.138 0.000 2.420 34 Y HA 0.636 5.215 4.550 0.049 0.000 0.334 34 Y C 0.235 176.243 175.900 0.180 0.000 1.094 34 Y CA -0.789 57.405 58.100 0.157 0.000 1.126 34 Y CB 1.313 39.817 38.460 0.074 0.000 1.217 34 Y HN 0.099 nan 8.280 nan 0.000 0.462 35 E N 3.426 123.879 120.200 0.421 0.000 2.312 35 E HA 0.422 4.802 4.350 0.049 0.000 0.267 35 E C -2.786 174.061 176.600 0.411 0.000 0.894 35 E CA -2.316 54.338 56.400 0.423 0.000 0.773 35 E CB 2.598 32.651 29.700 0.589 0.000 1.241 35 E HN 0.259 nan 8.360 nan 0.000 0.432 36 P HA 0.235 nan 4.420 nan 0.000 0.285 36 P C 0.468 178.018 177.300 0.417 0.000 1.285 36 P CA -0.502 62.788 63.100 0.316 0.000 0.854 36 P CB 1.347 33.124 31.700 0.128 0.000 1.180 37 L N -0.206 121.218 121.223 0.336 0.000 2.093 37 L HA -0.018 4.352 4.340 0.049 0.000 0.208 37 L C 1.193 178.175 176.870 0.188 0.000 1.085 37 L CA 1.451 56.388 54.840 0.162 0.000 0.755 37 L CB -0.509 41.456 42.059 -0.157 0.000 0.904 37 L HN 0.264 nan 8.230 nan 0.000 0.435 38 V N -3.472 116.507 119.914 0.109 0.000 2.876 38 V HA 0.474 4.624 4.120 0.049 0.000 0.312 38 V C -0.710 175.438 176.094 0.091 0.000 1.085 38 V CA -1.092 61.292 62.300 0.140 0.000 0.945 38 V CB 2.202 33.961 31.823 -0.106 0.000 1.017 38 V HN 0.020 nan 8.190 nan 0.000 0.428 39 K N 2.508 122.963 120.400 0.091 0.000 2.274 39 K HA 0.469 4.819 4.320 0.049 0.000 0.262 39 K C -1.336 175.263 176.600 -0.000 0.000 0.961 39 K CA -0.804 55.409 56.287 -0.123 0.000 0.833 39 K CB 1.495 33.663 32.500 -0.553 0.000 1.102 39 K HN 0.859 nan 8.250 nan 0.000 0.436 40 Y N 3.325 123.565 120.300 -0.100 0.000 2.497 40 Y HA 0.028 4.607 4.550 0.049 0.000 0.334 40 Y C -0.333 175.549 175.900 -0.030 0.000 1.199 40 Y CA 0.553 58.626 58.100 -0.045 0.000 1.425 40 Y CB 0.753 39.185 38.460 -0.047 0.000 1.291 40 Y HN 0.512 nan 8.280 nan 0.000 0.562 41 Q N 3.715 123.029 119.800 -0.811 0.000 2.351 41 Q HA 0.501 4.870 4.340 0.049 0.000 0.273 41 Q C 0.656 176.210 176.000 -0.743 0.000 1.077 41 Q CA -0.111 55.368 55.803 -0.539 0.000 0.843 41 Q CB 1.873 30.453 28.738 -0.263 0.000 1.367 41 Q HN 0.868 nan 8.270 nan 0.000 0.449 42 A N 1.271 123.904 122.820 -0.311 0.000 1.978 42 A HA -0.198 4.151 4.320 0.049 0.000 0.220 42 A C 1.173 178.671 177.584 -0.144 0.000 1.170 42 A CA 2.159 54.100 52.037 -0.159 0.000 0.636 42 A CB -0.380 18.597 19.000 -0.039 0.000 0.810 42 A HN 0.768 nan 8.150 nan 0.000 0.448 43 D N -2.158 118.146 120.400 -0.160 0.000 2.363 43 D HA 0.238 4.907 4.640 0.049 0.000 0.226 43 D C 1.183 177.434 176.300 -0.082 0.000 1.020 43 D CA 1.114 55.060 54.000 -0.091 0.000 0.892 43 D CB -0.484 40.282 40.800 -0.056 0.000 0.900 43 D HN 0.804 nan 8.370 nan 0.000 0.531 44 G N -0.092 108.597 108.800 -0.185 0.000 2.195 44 G HA2 -0.260 3.729 3.960 0.049 0.000 0.224 44 G HA3 -0.260 3.729 3.960 0.049 0.000 0.224 44 G C 0.424 175.350 174.900 0.043 0.000 0.990 44 G CA 0.355 45.465 45.100 0.016 0.000 0.639 44 G HN 0.810 nan 8.290 nan 0.000 0.514 45 S N -0.441 115.217 115.700 -0.070 0.000 2.655 45 S HA 0.803 5.302 4.470 0.049 0.000 0.265 45 S C 0.502 175.115 174.600 0.022 0.000 1.240 45 S CA 0.075 58.297 58.200 0.037 0.000 0.986 45 S CB 2.061 65.290 63.200 0.049 0.000 0.985 45 S HN 1.846 nan 8.310 nan 0.000 0.562 46 V N -0.822 119.179 119.914 0.145 0.000 2.881 46 V HA 0.821 4.970 4.120 0.049 0.000 0.316 46 V C -0.226 176.026 176.094 0.263 0.000 1.070 46 V CA -1.229 61.169 62.300 0.164 0.000 0.976 46 V CB 0.867 32.781 31.823 0.152 0.000 1.038 46 V HN 1.074 nan 8.190 nan 0.000 0.446 47 I N -0.963 119.771 120.570 0.273 0.000 2.797 47 I HA 0.776 4.976 4.170 0.049 0.000 0.307 47 I C -2.721 173.723 176.117 0.545 0.000 1.033 47 I CA -2.885 58.642 61.300 0.377 0.000 1.071 47 I CB 1.848 40.027 38.000 0.297 0.000 1.255 47 I HN 0.362 nan 8.210 nan 0.000 0.445 48 P HA -0.031 nan 4.420 nan 0.000 0.265 48 P C -0.953 176.730 177.300 0.638 0.000 1.187 48 P CA 0.315 63.795 63.100 0.633 0.000 0.766 48 P CB 0.470 32.406 31.700 0.392 0.000 0.820 49 W N 2.818 124.286 121.300 0.279 0.000 4.480 49 W HA 0.157 4.847 4.660 0.050 0.000 0.613 49 W C 1.368 177.882 176.519 -0.008 0.000 3.468 49 W CA -0.070 57.422 57.345 0.244 0.000 1.136 49 W CB -0.372 29.248 29.460 0.266 0.000 2.120 49 W HN 0.007 nan 8.180 nan 0.000 0.350 50 L N 1.762 123.005 121.223 0.034 0.000 2.191 50 L HA 0.008 4.377 4.340 0.049 0.000 0.212 50 L C 1.139 177.979 176.870 -0.049 0.000 1.103 50 L CA 0.882 55.539 54.840 -0.304 0.000 0.769 50 L CB -0.924 40.872 42.059 -0.439 0.000 0.908 50 L HN 0.027 nan 8.230 nan 0.000 0.438 51 A N 0.622 123.537 122.820 0.159 0.000 2.276 51 A HA 0.243 4.592 4.320 0.049 0.000 0.300 51 A C 1.181 178.984 177.584 0.366 0.000 1.235 51 A CA -0.612 51.616 52.037 0.319 0.000 0.867 51 A CB 0.409 19.727 19.000 0.529 0.000 1.137 51 A HN 0.336 nan 8.150 nan 0.000 0.527 52 K N 1.499 122.041 120.400 0.238 0.000 2.228 52 K HA 0.055 4.404 4.320 0.049 0.000 0.202 52 K C 0.461 177.170 176.600 0.181 0.000 1.051 52 K CA 1.229 57.620 56.287 0.173 0.000 0.960 52 K CB -0.185 32.348 32.500 0.054 0.000 0.743 52 K HN 0.766 nan 8.250 nan 0.000 0.458 53 S N -0.746 115.112 115.700 0.263 0.000 2.611 53 S HA 0.594 5.094 4.470 0.049 0.000 0.268 53 S C -1.950 172.837 174.600 0.311 0.000 1.156 53 S CA -1.158 57.057 58.200 0.025 0.000 0.817 53 S CB 0.610 63.751 63.200 -0.098 0.000 1.122 53 S HN 0.509 nan 8.310 nan 0.000 0.466 54 W N -0.308 121.022 121.300 0.049 0.000 3.146 54 W HA 0.755 5.445 4.660 0.049 0.000 0.319 54 W C -1.022 175.436 176.519 -0.101 0.000 1.258 54 W CA -0.389 56.898 57.345 -0.098 0.000 1.189 54 W CB 0.480 29.736 29.460 -0.340 0.000 1.412 54 W HN 1.048 nan 8.180 nan 0.000 0.567 55 T N -0.967 113.612 114.554 0.041 0.000 2.916 55 T HA 0.797 5.176 4.350 0.049 0.000 0.292 55 T C -1.190 173.369 174.700 -0.235 0.000 1.064 55 T CA -0.734 61.285 62.100 -0.136 0.000 1.011 55 T CB 1.981 70.748 68.868 -0.168 0.000 1.152 55 T HN 1.105 nan 8.240 nan 0.000 0.510 56 H N -1.324 117.452 119.070 -0.489 0.000 2.895 56 H HA 0.740 5.326 4.556 0.049 0.000 0.373 56 H C -0.065 174.968 175.328 -0.491 0.000 1.174 56 H CA -0.725 54.827 56.048 -0.827 0.000 1.144 56 H CB 0.941 29.600 29.762 -1.839 0.000 1.793 56 H HN 0.812 nan 8.280 nan 0.000 0.551 57 S N 0.790 116.324 115.700 -0.276 0.000 2.580 57 S HA -0.011 4.489 4.470 0.049 0.000 0.266 57 S C 0.894 175.446 174.600 -0.079 0.000 1.354 57 S CA -0.148 57.953 58.200 -0.165 0.000 1.008 57 S CB 0.808 63.943 63.200 -0.108 0.000 0.898 57 S HN 0.875 nan 8.310 nan 0.000 0.555 58 E N 0.946 121.095 120.200 -0.085 0.000 2.118 58 E HA -0.200 4.180 4.350 0.049 0.000 0.195 58 E C 1.273 177.853 176.600 -0.034 0.000 0.992 58 E CA 1.532 57.901 56.400 -0.052 0.000 0.804 58 E CB -0.225 29.442 29.700 -0.056 0.000 0.741 58 E HN 0.913 nan 8.360 nan 0.000 0.458 59 D N -0.912 119.463 120.400 -0.042 0.000 2.363 59 D HA -0.025 4.644 4.640 0.049 0.000 0.226 59 D C 1.226 177.488 176.300 -0.063 0.000 1.020 59 D CA 0.869 54.842 54.000 -0.045 0.000 0.892 59 D CB -0.078 40.705 40.800 -0.028 0.000 0.900 59 D HN 0.223 nan 8.370 nan 0.000 0.531 60 G N 0.509 109.266 108.800 -0.071 0.000 2.155 60 G HA2 -0.396 3.593 3.960 0.049 0.000 0.257 60 G HA3 -0.396 3.593 3.960 0.049 0.000 0.257 60 G C 1.009 175.964 174.900 0.091 0.000 0.983 60 G CA 0.687 45.721 45.100 -0.110 0.000 0.676 60 G HN 0.492 nan 8.290 nan 0.000 0.528 61 K N -0.701 119.725 120.400 0.044 0.000 2.348 61 K HA 0.197 4.546 4.320 0.049 0.000 0.194 61 K C 0.560 177.238 176.600 0.129 0.000 1.052 61 K CA 0.915 57.260 56.287 0.096 0.000 1.004 61 K CB 0.617 33.137 32.500 0.034 0.000 0.873 61 K HN 0.293 nan 8.250 nan 0.000 0.523 62 T N 0.628 115.210 114.554 0.047 0.000 2.786 62 T HA 0.346 4.726 4.350 0.049 0.000 0.283 62 T C -1.416 173.281 174.700 -0.006 0.000 0.992 62 T CA -0.546 61.591 62.100 0.062 0.000 0.954 62 T CB 0.728 69.595 68.868 -0.002 0.000 0.934 62 T HN 0.057 nan 8.240 nan 0.000 0.440 63 W N 1.792 123.081 121.300 -0.018 0.000 2.656 63 W HA 0.524 5.214 4.660 0.048 0.000 0.327 63 W C -0.182 176.330 176.519 -0.011 0.000 1.041 63 W CA -0.614 56.734 57.345 0.004 0.000 1.229 63 W CB 1.616 31.133 29.460 0.094 0.000 1.397 63 W HN 0.393 nan 8.180 nan 0.000 0.479 64 T N 3.973 118.575 114.554 0.079 0.000 2.815 64 T HA 0.485 4.865 4.350 0.049 0.000 0.289 64 T C -0.995 173.732 174.700 0.045 0.000 1.000 64 T CA -0.522 61.637 62.100 0.098 0.000 0.958 64 T CB 0.274 69.178 68.868 0.060 0.000 0.944 64 T HN -0.021 nan 8.240 nan 0.000 0.442 65 F N 1.772 121.885 119.950 0.272 0.000 2.408 65 F HA 0.402 4.958 4.527 0.048 0.000 0.344 65 F C 1.180 177.096 175.800 0.194 0.000 1.112 65 F CA -0.760 57.421 58.000 0.302 0.000 1.096 65 F CB 1.318 40.471 39.000 0.256 0.000 1.129 65 F HN 0.318 nan 8.300 nan 0.000 0.486 66 T N 5.365 120.124 114.554 0.342 0.000 2.733 66 T HA 0.456 4.836 4.350 0.049 0.000 0.294 66 T C 0.054 174.879 174.700 0.209 0.000 0.956 66 T CA -0.518 61.703 62.100 0.202 0.000 0.987 66 T CB 0.165 69.104 68.868 0.119 0.000 0.920 66 T HN 0.279 nan 8.240 nan 0.000 0.470 67 L N 3.189 124.494 121.223 0.136 0.000 2.399 67 L HA 0.477 4.846 4.340 0.049 0.000 0.266 67 L C 1.185 178.068 176.870 0.022 0.000 1.114 67 L CA -1.131 53.768 54.840 0.099 0.000 0.804 67 L CB 0.643 42.730 42.059 0.046 0.000 1.146 67 L HN 0.445 nan 8.230 nan 0.000 0.451 68 R N 1.257 121.733 120.500 -0.040 0.000 2.697 68 R HA -0.056 4.313 4.340 0.049 0.000 0.265 68 R C 0.006 176.252 176.300 -0.091 0.000 1.009 68 R CA 0.166 56.184 56.100 -0.136 0.000 1.099 68 R CB 0.266 30.346 30.300 -0.366 0.000 0.965 68 R HN 0.678 nan 8.270 nan 0.000 0.428 69 D N 0.088 120.433 120.400 -0.092 0.000 2.440 69 D HA -0.047 4.622 4.640 0.049 0.000 0.216 69 D C 0.102 176.361 176.300 -0.069 0.000 1.150 69 D CA -0.090 53.869 54.000 -0.068 0.000 0.832 69 D CB 0.260 41.031 40.800 -0.048 0.000 0.992 69 D HN 0.558 nan 8.370 nan 0.000 0.502 70 D N -0.124 120.214 120.400 -0.103 0.000 2.479 70 D HA 0.073 4.742 4.640 0.049 0.000 0.218 70 D C -0.143 176.099 176.300 -0.096 0.000 1.177 70 D CA -0.417 53.535 54.000 -0.080 0.000 0.830 70 D CB 0.135 40.897 40.800 -0.063 0.000 1.014 70 D HN -0.014 nan 8.370 nan 0.000 0.503 71 V N 0.678 120.503 119.914 -0.149 0.000 2.427 71 V HA 0.350 4.499 4.120 0.049 0.000 0.286 71 V C 0.198 176.240 176.094 -0.086 0.000 1.034 71 V CA -0.601 61.581 62.300 -0.197 0.000 0.893 71 V CB 1.724 33.252 31.823 -0.491 0.000 0.982 71 V HN -0.039 nan 8.190 nan 0.000 0.452 72 K N 3.538 123.915 120.400 -0.038 0.000 2.259 72 K HA 0.585 4.935 4.320 0.049 0.000 0.252 72 K C -0.778 175.821 176.600 -0.001 0.000 0.936 72 K CA -0.606 55.689 56.287 0.013 0.000 0.810 72 K CB 1.985 34.535 32.500 0.083 0.000 1.143 72 K HN 0.395 nan 8.250 nan 0.000 0.427 73 F N 0.762 120.812 119.950 0.167 0.000 2.539 73 F HA -0.142 4.414 4.527 0.049 0.000 0.340 73 F C 2.098 177.977 175.800 0.131 0.000 1.185 73 F CA 0.462 58.563 58.000 0.168 0.000 1.333 73 F CB 0.542 39.641 39.000 0.166 0.000 1.152 73 F HN 0.661 nan 8.300 nan 0.000 0.602 74 S N 0.283 116.179 115.700 0.327 0.000 2.469 74 S HA -0.221 4.278 4.470 0.049 0.000 0.238 74 S C 1.206 175.902 174.600 0.161 0.000 0.998 74 S CA 1.126 59.444 58.200 0.198 0.000 0.957 74 S CB -0.686 62.604 63.200 0.151 0.000 0.764 74 S HN 0.767 nan 8.310 nan 0.000 0.514 75 N N 0.952 119.763 118.700 0.186 0.000 2.314 75 N HA 0.245 5.014 4.740 0.049 0.000 0.200 75 N C 1.215 176.800 175.510 0.124 0.000 1.135 75 N CA 0.581 53.705 53.050 0.124 0.000 0.835 75 N CB -0.347 38.194 38.487 0.089 0.000 0.989 75 N HN 0.575 nan 8.380 nan 0.000 0.478 76 G N -0.323 108.571 108.800 0.156 0.000 2.225 76 G HA2 -0.301 3.688 3.960 0.049 0.000 0.254 76 G HA3 -0.301 3.688 3.960 0.049 0.000 0.254 76 G C -0.282 174.708 174.900 0.151 0.000 0.988 76 G CA 0.184 45.361 45.100 0.129 0.000 0.625 76 G HN 0.513 nan 8.290 nan 0.000 0.527 77 E N 2.300 122.624 120.200 0.207 0.000 2.383 77 E HA 0.373 4.753 4.350 0.049 0.000 0.264 77 E C -2.090 174.714 176.600 0.341 0.000 1.050 77 E CA -1.307 55.231 56.400 0.230 0.000 0.896 77 E CB 0.989 30.797 29.700 0.180 0.000 0.982 77 E HN 0.268 nan 8.360 nan 0.000 0.424 78 P HA 0.015 nan 4.420 nan 0.000 0.279 78 P C -1.026 176.419 177.300 0.242 0.000 1.239 78 P CA -0.168 63.036 63.100 0.173 0.000 0.789 78 P CB 0.427 32.173 31.700 0.077 0.000 0.933 79 F N 4.041 123.899 119.950 -0.154 0.000 2.420 79 F HA 0.369 4.925 4.527 0.049 0.000 0.352 79 F C -0.163 175.549 175.800 -0.146 0.000 1.108 79 F CA 0.404 58.237 58.000 -0.277 0.000 1.162 79 F CB 0.445 39.065 39.000 -0.634 0.000 1.118 79 F HN 0.336 nan 8.300 nan 0.000 0.510 80 D N 3.543 123.441 120.400 -0.836 0.000 2.677 80 D HA 0.393 5.062 4.640 0.049 0.000 0.298 80 D C 0.048 175.933 176.300 -0.692 0.000 1.250 80 D CA -0.254 53.370 54.000 -0.628 0.000 0.888 80 D CB 0.822 41.471 40.800 -0.252 0.000 1.397 80 D HN 0.488 nan 8.370 nan 0.000 0.461 81 A N -0.452 122.142 122.820 -0.377 0.000 1.972 81 A HA -0.164 4.185 4.320 0.049 0.000 0.219 81 A C 1.801 179.302 177.584 -0.139 0.000 1.169 81 A CA 1.838 53.731 52.037 -0.241 0.000 0.635 81 A CB -0.873 18.067 19.000 -0.100 0.000 0.810 81 A HN 0.664 nan 8.150 nan 0.000 0.446 82 E N 0.017 120.149 120.200 -0.113 0.000 2.051 82 E HA -0.153 4.226 4.350 0.049 0.000 0.192 82 E C 2.212 178.809 176.600 -0.005 0.000 0.991 82 E CA 1.035 57.414 56.400 -0.035 0.000 0.799 82 E CB -0.228 29.455 29.700 -0.028 0.000 0.748 82 E HN 0.539 nan 8.360 nan 0.000 0.449 83 A N 1.254 124.039 122.820 -0.059 0.000 1.902 83 A HA -0.133 4.216 4.320 0.049 0.000 0.217 83 A C 2.370 180.053 177.584 0.165 0.000 1.181 83 A CA 1.949 54.018 52.037 0.053 0.000 0.623 83 A CB -0.709 18.390 19.000 0.165 0.000 0.818 83 A HN 0.406 nan 8.150 nan 0.000 0.443 84 A N -0.135 122.656 122.820 -0.048 0.000 1.877 84 A HA 0.169 4.518 4.320 0.049 0.000 0.216 84 A C 2.531 180.416 177.584 0.500 0.000 1.186 84 A CA 2.127 54.237 52.037 0.121 0.000 0.620 84 A CB -1.108 17.772 19.000 -0.201 0.000 0.822 84 A HN 1.103 nan 8.150 nan 0.000 0.443 85 A N -0.509 122.496 122.820 0.308 0.000 1.940 85 A HA -0.159 4.191 4.320 0.049 0.000 0.219 85 A C 1.915 179.720 177.584 0.368 0.000 1.176 85 A CA 1.795 54.035 52.037 0.337 0.000 0.631 85 A CB -0.409 18.689 19.000 0.162 0.000 0.814 85 A HN 0.453 nan 8.150 nan 0.000 0.446 86 E N 0.237 120.633 120.200 0.325 0.000 2.150 86 E HA -0.142 4.238 4.350 0.049 0.000 0.193 86 E C 1.715 178.640 176.600 0.541 0.000 0.985 86 E CA 1.228 57.858 56.400 0.384 0.000 0.814 86 E CB -0.541 29.327 29.700 0.281 0.000 0.752 86 E HN 0.722 nan 8.360 nan 0.000 0.466 87 N N 0.116 119.157 118.700 0.567 0.000 2.084 87 N HA -0.118 4.651 4.740 0.049 0.000 0.190 87 N C 1.614 177.168 175.510 0.073 0.000 1.030 87 N CA 1.039 54.349 53.050 0.433 0.000 0.849 87 N CB -0.329 38.476 38.487 0.530 0.000 1.012 87 N HN 0.064 nan 8.380 nan 0.000 0.423 88 F N 0.998 121.085 119.950 0.228 0.000 2.126 88 F HA -0.085 4.472 4.527 0.049 0.000 0.299 88 F C 2.512 178.356 175.800 0.073 0.000 1.096 88 F CA 1.062 59.144 58.000 0.137 0.000 1.255 88 F CB -0.281 38.807 39.000 0.147 0.000 0.997 88 F HN -0.001 nan 8.300 nan 0.000 0.479 89 R N 0.622 121.294 120.500 0.287 0.000 2.083 89 R HA -0.198 4.172 4.340 0.049 0.000 0.237 89 R C 2.356 178.704 176.300 0.080 0.000 1.137 89 R CA 1.506 57.712 56.100 0.178 0.000 0.951 89 R CB -0.602 29.811 30.300 0.190 0.000 0.851 89 R HN 0.264 nan 8.270 nan 0.000 0.434 90 A N 0.331 123.163 122.820 0.021 0.000 1.908 90 A HA -0.123 4.226 4.320 0.049 0.000 0.218 90 A C 2.305 179.779 177.584 -0.183 0.000 1.181 90 A CA 1.748 53.693 52.037 -0.153 0.000 0.627 90 A CB -0.602 18.141 19.000 -0.428 0.000 0.818 90 A HN 0.254 nan 8.150 nan 0.000 0.445 91 V N -0.058 119.662 119.914 -0.324 0.000 2.295 91 V HA -0.231 3.918 4.120 0.049 0.000 0.246 91 V C 2.442 178.502 176.094 -0.057 0.000 1.049 91 V CA 2.005 64.086 62.300 -0.365 0.000 1.024 91 V CB -0.670 30.770 31.823 -0.638 0.000 0.648 91 V HN 0.573 nan 8.190 nan 0.000 0.447 92 L N -0.361 120.879 121.223 0.028 0.000 2.478 92 L HA -0.032 4.338 4.340 0.049 0.000 0.223 92 L C 1.918 178.837 176.870 0.081 0.000 1.140 92 L CA 0.572 55.473 54.840 0.101 0.000 0.842 92 L CB -0.559 41.580 42.059 0.134 0.000 0.953 92 L HN 0.302 nan 8.230 nan 0.000 0.452 93 D N 0.158 120.590 120.400 0.053 0.000 2.309 93 D HA -0.146 4.523 4.640 0.049 0.000 0.212 93 D C 1.135 177.458 176.300 0.039 0.000 0.968 93 D CA 0.993 55.017 54.000 0.040 0.000 0.882 93 D CB -0.107 40.707 40.800 0.023 0.000 0.918 93 D HN 0.157 nan 8.370 nan 0.000 0.503 94 N N 0.104 118.843 118.700 0.065 0.000 2.467 94 N HA 0.071 4.840 4.740 0.049 0.000 0.278 94 N C 1.059 176.608 175.510 0.065 0.000 1.306 94 N CA -0.198 52.880 53.050 0.045 0.000 0.905 94 N CB 0.104 38.615 38.487 0.041 0.000 1.236 94 N HN -0.087 nan 8.380 nan 0.000 0.509 95 R N -0.100 120.460 120.500 0.100 0.000 2.103 95 R HA -0.188 4.181 4.340 0.049 0.000 0.242 95 R C 1.711 178.041 176.300 0.050 0.000 1.142 95 R CA 1.693 57.872 56.100 0.132 0.000 0.960 95 R CB 0.085 30.432 30.300 0.078 0.000 0.858 95 R HN 0.459 nan 8.270 nan 0.000 0.439 96 Q N -0.051 119.744 119.800 -0.008 0.000 2.170 96 Q HA -0.215 4.154 4.340 0.049 0.000 0.203 96 Q C 1.928 177.882 176.000 -0.077 0.000 0.976 96 Q CA 1.447 57.230 55.803 -0.033 0.000 0.858 96 Q CB 0.004 28.724 28.738 -0.031 0.000 0.907 96 Q HN 0.067 nan 8.270 nan 0.000 0.433 97 R N -0.151 120.246 120.500 -0.171 0.000 2.193 97 R HA -0.117 4.252 4.340 0.049 0.000 0.229 97 R C 0.868 177.003 176.300 -0.275 0.000 1.110 97 R CA 1.481 57.424 56.100 -0.262 0.000 0.988 97 R CB -0.168 29.923 30.300 -0.349 0.000 0.871 97 R HN 0.434 nan 8.270 nan 0.000 0.458 98 H N -0.947 118.158 119.070 0.058 0.000 2.519 98 H HA 0.332 4.918 4.556 0.049 0.000 0.289 98 H C 1.297 176.507 175.328 -0.196 0.000 1.040 98 H CA 0.504 56.532 56.048 -0.034 0.000 1.165 98 H CB 0.335 30.029 29.762 -0.113 0.000 1.462 98 H HN 0.280 nan 8.280 nan 0.000 0.555 99 A N 2.145 124.964 122.820 -0.002 0.000 1.986 99 A HA -0.178 4.171 4.320 0.049 0.000 0.220 99 A C 2.195 179.754 177.584 -0.041 0.000 1.171 99 A CA 1.315 53.333 52.037 -0.032 0.000 0.640 99 A CB -1.060 17.930 19.000 -0.016 0.000 0.811 99 A HN 0.734 nan 8.150 nan 0.000 0.451 100 W N -1.183 120.111 121.300 -0.009 0.000 2.364 100 W HA 0.083 4.771 4.660 0.048 0.000 0.281 100 W C 0.196 176.793 176.519 0.131 0.000 1.219 100 W CA 0.409 57.771 57.345 0.027 0.000 1.220 100 W CB -0.772 28.769 29.460 0.136 0.000 1.127 100 W HN 0.270 nan 8.180 nan 0.000 0.556 101 L N 2.699 123.366 121.223 -0.927 0.000 2.276 101 L HA 0.211 4.581 4.340 0.049 0.000 0.286 101 L C 1.305 177.958 176.870 -0.361 0.000 1.024 101 L CA -0.242 54.051 54.840 -0.911 0.000 0.826 101 L CB 1.329 42.459 42.059 -1.548 0.000 1.211 101 L HN -0.138 nan 8.230 nan 0.000 0.422 102 E N 3.537 123.643 120.200 -0.158 0.000 2.204 102 E HA -0.202 4.178 4.350 0.049 0.000 0.194 102 E C 1.601 177.950 176.600 -0.418 0.000 0.989 102 E CA 1.268 57.545 56.400 -0.206 0.000 0.824 102 E CB -0.114 29.544 29.700 -0.070 0.000 0.756 102 E HN 0.672 nan 8.360 nan 0.000 0.477 103 L N 0.346 121.341 121.223 -0.381 0.000 2.129 103 L HA -0.097 4.272 4.340 0.049 0.000 0.212 103 L C 2.095 178.898 176.870 -0.112 0.000 1.087 103 L CA 2.180 56.833 54.840 -0.313 0.000 0.757 103 L CB -0.992 41.066 42.059 -0.001 0.000 0.896 103 L HN 0.195 nan 8.230 nan 0.000 0.434 104 A N -0.851 121.967 122.820 -0.003 0.000 2.067 104 A HA -0.148 4.202 4.320 0.049 0.000 0.219 104 A C 1.900 179.481 177.584 -0.004 0.000 1.158 104 A CA 1.630 53.719 52.037 0.088 0.000 0.661 104 A CB -0.590 18.431 19.000 0.036 0.000 0.801 104 A HN 0.648 nan 8.150 nan 0.000 0.452 105 N N -0.819 117.825 118.700 -0.093 0.000 2.392 105 N HA -0.022 4.747 4.740 0.049 0.000 0.177 105 N C 1.381 176.819 175.510 -0.120 0.000 1.066 105 N CA 0.440 53.437 53.050 -0.089 0.000 0.895 105 N CB -0.026 38.404 38.487 -0.095 0.000 0.988 105 N HN 0.457 nan 8.380 nan 0.000 0.457 106 Q N 0.570 120.249 119.800 -0.201 0.000 2.302 106 Q HA 0.200 4.570 4.340 0.049 0.000 0.202 106 Q C 0.620 176.522 176.000 -0.163 0.000 0.936 106 Q CA 0.130 55.800 55.803 -0.221 0.000 0.886 106 Q CB 0.635 29.126 28.738 -0.413 0.000 0.986 106 Q HN 0.371 nan 8.270 nan 0.000 0.487 107 I N 1.509 121.998 120.570 -0.135 0.000 2.505 107 I HA -0.074 4.126 4.170 0.049 0.000 0.287 107 I C 1.295 177.372 176.117 -0.066 0.000 1.104 107 I CA -0.189 61.041 61.300 -0.116 0.000 1.387 107 I CB 0.967 38.908 38.000 -0.098 0.000 1.404 107 I HN -0.160 nan 8.210 nan 0.000 0.528 108 V N 4.735 124.607 119.914 -0.069 0.000 2.575 108 V HA 0.013 4.163 4.120 0.049 0.000 0.242 108 V C 0.306 176.385 176.094 -0.025 0.000 1.045 108 V CA 1.192 63.468 62.300 -0.039 0.000 1.065 108 V CB -0.185 31.617 31.823 -0.036 0.000 0.717 108 V HN 0.863 nan 8.190 nan 0.000 0.467 109 D N -1.962 118.415 120.400 -0.038 0.000 2.717 109 D HA 0.497 5.166 4.640 0.049 0.000 0.223 109 D C -1.591 174.676 176.300 -0.055 0.000 1.240 109 D CA -0.170 53.815 54.000 -0.024 0.000 0.801 109 D CB 2.426 43.219 40.800 -0.011 0.000 1.556 109 D HN -0.125 nan 8.370 nan 0.000 0.462 110 V N 2.925 122.814 119.914 -0.041 0.000 2.569 110 V HA 0.562 4.712 4.120 0.049 0.000 0.301 110 V C -0.812 175.281 176.094 -0.001 0.000 1.044 110 V CA -0.781 61.471 62.300 -0.080 0.000 0.874 110 V CB 1.587 33.292 31.823 -0.198 0.000 1.002 110 V HN 0.645 nan 8.190 nan 0.000 0.424 111 K N 3.047 123.451 120.400 0.007 0.000 2.464 111 K HA 0.918 5.267 4.320 0.049 0.000 0.253 111 K C -0.661 175.960 176.600 0.036 0.000 0.933 111 K CA -0.741 55.565 56.287 0.031 0.000 0.801 111 K CB 2.652 35.168 32.500 0.026 0.000 1.271 111 K HN 0.679 nan 8.250 nan 0.000 0.430 112 A N 3.770 126.611 122.820 0.036 0.000 2.396 112 A HA 0.263 4.612 4.320 0.049 0.000 0.279 112 A C 0.683 178.279 177.584 0.019 0.000 1.165 112 A CA -0.734 51.317 52.037 0.023 0.000 0.824 112 A CB -0.321 18.683 19.000 0.008 0.000 1.100 112 A HN 0.850 nan 8.150 nan 0.000 0.516 113 L N 2.148 123.385 121.223 0.023 0.000 2.375 113 L HA 0.084 4.454 4.340 0.049 0.000 0.215 113 L C 1.216 178.090 176.870 0.008 0.000 1.108 113 L CA 1.079 55.930 54.840 0.018 0.000 0.830 113 L CB -0.424 41.651 42.059 0.025 0.000 0.959 113 L HN 0.905 nan 8.230 nan 0.000 0.457 114 S N -2.499 113.203 115.700 0.002 0.000 2.724 114 S HA 0.248 4.748 4.470 0.049 0.000 0.278 114 S C 0.184 174.770 174.600 -0.023 0.000 1.190 114 S CA -0.867 57.328 58.200 -0.008 0.000 0.860 114 S CB 1.465 64.662 63.200 -0.005 0.000 1.206 114 S HN -0.107 nan 8.310 nan 0.000 0.507 115 K N 0.536 120.916 120.400 -0.033 0.000 2.280 115 K HA -0.010 4.340 4.320 0.049 0.000 0.202 115 K C 1.397 177.951 176.600 -0.076 0.000 1.047 115 K CA 1.778 58.029 56.287 -0.060 0.000 0.942 115 K CB -0.387 32.081 32.500 -0.053 0.000 0.739 115 K HN 0.804 nan 8.250 nan 0.000 0.457 116 T N -2.321 112.209 114.554 -0.041 0.000 3.003 116 T HA 0.152 4.531 4.350 0.049 0.000 0.261 116 T C 0.184 174.895 174.700 0.019 0.000 1.003 116 T CA -0.419 61.667 62.100 -0.025 0.000 0.917 116 T CB 0.448 69.309 68.868 -0.012 0.000 1.084 116 T HN -0.150 nan 8.240 nan 0.000 0.522 117 E N 1.449 121.664 120.200 0.024 0.000 2.145 117 E HA 0.531 4.910 4.350 0.049 0.000 0.270 117 E C -1.568 175.077 176.600 0.076 0.000 0.906 117 E CA -0.663 55.777 56.400 0.066 0.000 0.761 117 E CB 2.528 32.258 29.700 0.050 0.000 1.116 117 E HN 0.214 nan 8.360 nan 0.000 0.408 118 L N 2.883 124.193 121.223 0.146 0.000 2.319 118 L HA 0.283 4.653 4.340 0.049 0.000 0.281 118 L C -0.620 176.387 176.870 0.227 0.000 1.005 118 L CA -0.293 54.638 54.840 0.153 0.000 0.828 118 L CB 1.634 43.782 42.059 0.148 0.000 1.227 118 L HN 0.403 nan 8.230 nan 0.000 0.415 119 Q N 4.842 124.726 119.800 0.140 0.000 2.307 119 Q HA 0.606 4.975 4.340 0.049 0.000 0.262 119 Q C -1.419 174.639 176.000 0.097 0.000 0.961 119 Q CA -0.432 55.458 55.803 0.144 0.000 0.882 119 Q CB 1.351 30.139 28.738 0.083 0.000 1.264 119 Q HN 0.707 nan 8.270 nan 0.000 0.446 120 I N 3.169 123.837 120.570 0.163 0.000 2.389 120 I HA 0.330 4.530 4.170 0.049 0.000 0.288 120 I C -0.503 175.635 176.117 0.035 0.000 0.999 120 I CA -0.609 60.717 61.300 0.042 0.000 1.129 120 I CB 2.166 40.217 38.000 0.085 0.000 1.288 120 I HN 0.529 nan 8.210 nan 0.000 0.444 121 T N 7.071 121.604 114.554 -0.035 0.000 2.824 121 T HA 0.650 5.029 4.350 0.049 0.000 0.280 121 T C -0.167 174.477 174.700 -0.094 0.000 0.995 121 T CA -0.461 61.621 62.100 -0.030 0.000 1.009 121 T CB 1.333 70.192 68.868 -0.014 0.000 0.955 121 T HN 0.270 nan 8.240 nan 0.000 0.452 122 L N 2.275 123.443 121.223 -0.092 0.000 2.322 122 L HA 0.524 4.894 4.340 0.049 0.000 0.269 122 L C 1.565 178.402 176.870 -0.056 0.000 1.012 122 L CA -1.074 53.690 54.840 -0.126 0.000 0.815 122 L CB 1.417 43.361 42.059 -0.192 0.000 1.295 122 L HN 0.549 nan 8.230 nan 0.000 0.438 123 K N 0.264 120.630 120.400 -0.056 0.000 2.097 123 K HA -0.053 4.297 4.320 0.049 0.000 0.206 123 K C 0.552 177.156 176.600 0.007 0.000 1.049 123 K CA 1.232 57.505 56.287 -0.024 0.000 0.933 123 K CB 0.125 32.606 32.500 -0.032 0.000 0.717 123 K HN 0.768 nan 8.250 nan 0.000 0.442 124 S N -1.870 113.847 115.700 0.029 0.000 2.671 124 S HA 0.525 5.025 4.470 0.049 0.000 0.277 124 S C -0.922 173.756 174.600 0.131 0.000 1.165 124 S CA -0.904 57.345 58.200 0.080 0.000 0.822 124 S CB 1.820 65.084 63.200 0.106 0.000 1.150 124 S HN 0.056 nan 8.310 nan 0.000 0.479 125 A N 1.341 124.262 122.820 0.169 0.000 3.026 125 A HA 0.326 4.676 4.320 0.049 0.000 0.272 125 A C -0.381 177.472 177.584 0.449 0.000 1.782 125 A CA -0.193 51.993 52.037 0.248 0.000 1.451 125 A CB -1.604 17.445 19.000 0.081 0.000 1.081 125 A HN 0.796 nan 8.150 nan 0.000 0.611 126 Y N 2.791 123.189 120.300 0.164 0.000 2.637 126 Y HA 0.187 4.767 4.550 0.049 0.000 0.350 126 Y C 1.057 177.031 175.900 0.124 0.000 1.069 126 Y CA -0.494 57.658 58.100 0.087 0.000 1.397 126 Y CB -0.030 38.410 38.460 -0.033 0.000 1.163 126 Y HN 0.696 nan 8.280 nan 0.000 0.527 127 Y N 6.540 126.619 120.300 -0.368 0.000 2.224 127 Y HA 0.086 4.665 4.550 0.048 0.000 0.289 127 Y C -1.306 174.391 175.900 -0.340 0.000 1.146 127 Y CA 0.281 58.186 58.100 -0.325 0.000 1.182 127 Y CB -1.714 36.432 38.460 -0.523 0.000 0.983 127 Y HN 0.405 nan 8.280 nan 0.000 0.524 128 P HA 0.023 nan 4.420 nan 0.000 0.255 128 P C 1.218 178.326 177.300 -0.319 0.000 1.357 128 P CA 0.262 62.801 63.100 -0.936 0.000 0.839 128 P CB -0.828 29.999 31.700 -1.456 0.000 1.356 129 F N 1.141 120.914 119.950 -0.296 0.000 2.045 129 F HA -0.306 4.250 4.527 0.048 0.000 0.297 129 F C 1.726 177.381 175.800 -0.242 0.000 1.114 129 F CA 1.619 59.511 58.000 -0.180 0.000 1.207 129 F CB -0.391 38.342 39.000 -0.445 0.000 0.964 129 F HN -0.196 nan 8.300 nan 0.000 0.486 130 L N -0.192 120.729 121.223 -0.503 0.000 2.056 130 L HA -0.229 4.141 4.340 0.049 0.000 0.207 130 L C 2.565 179.268 176.870 -0.279 0.000 1.078 130 L CA 1.408 55.917 54.840 -0.552 0.000 0.749 130 L CB -0.938 40.909 42.059 -0.354 0.000 0.901 130 L HN 0.299 nan 8.230 nan 0.000 0.433 131 Q N -0.018 119.692 119.800 -0.150 0.000 2.124 131 Q HA -0.223 4.146 4.340 0.049 0.000 0.202 131 Q C 2.067 178.014 176.000 -0.088 0.000 0.977 131 Q CA 1.543 57.300 55.803 -0.076 0.000 0.850 131 Q CB 0.108 28.798 28.738 -0.079 0.000 0.901 131 Q HN 0.530 nan 8.270 nan 0.000 0.429 132 E N -0.057 120.109 120.200 -0.057 0.000 2.158 132 E HA -0.099 4.280 4.350 0.049 0.000 0.191 132 E C 1.935 178.558 176.600 0.037 0.000 0.982 132 E CA 0.406 56.834 56.400 0.047 0.000 0.823 132 E CB 0.082 29.893 29.700 0.184 0.000 0.766 132 E HN 0.350 nan 8.360 nan 0.000 0.468 133 L N 0.571 121.715 121.223 -0.131 0.000 2.265 133 L HA -0.126 4.243 4.340 0.049 0.000 0.215 133 L C 2.324 179.162 176.870 -0.053 0.000 1.117 133 L CA 0.713 55.472 54.840 -0.135 0.000 0.782 133 L CB -0.278 41.537 42.059 -0.408 0.000 0.914 133 L HN 0.123 nan 8.230 nan 0.000 0.441 134 A N -0.493 122.287 122.820 -0.067 0.000 2.208 134 A HA 0.160 4.509 4.320 0.049 0.000 0.209 134 A C 1.144 178.711 177.584 -0.028 0.000 1.161 134 A CA -0.073 51.947 52.037 -0.028 0.000 0.782 134 A CB -0.221 18.787 19.000 0.013 0.000 0.816 134 A HN 0.217 nan 8.150 nan 0.000 0.477 135 L N -0.536 120.668 121.223 -0.032 0.000 2.473 135 L HA 0.088 4.457 4.340 0.049 0.000 0.268 135 L C -1.313 175.574 176.870 0.028 0.000 1.215 135 L CA -1.461 53.363 54.840 -0.026 0.000 0.823 135 L CB 0.223 42.303 42.059 0.035 0.000 1.099 135 L HN 0.042 nan 8.230 nan 0.000 0.483 136 P HA -0.138 nan 4.420 nan 0.000 0.216 136 P C -0.628 176.676 177.300 0.007 0.000 1.150 136 P CA 1.442 64.573 63.100 0.051 0.000 0.843 136 P CB 0.168 31.912 31.700 0.074 0.000 0.787 137 R N -2.981 117.529 120.500 0.017 0.000 2.692 137 R HA 0.379 4.749 4.340 0.049 0.000 0.269 137 R C -2.860 173.399 176.300 -0.067 0.000 1.030 137 R CA -1.619 54.423 56.100 -0.097 0.000 0.882 137 R CB 0.303 30.499 30.300 -0.174 0.000 1.250 137 R HN -0.236 nan 8.270 nan 0.000 0.465 138 P HA 0.192 nan 4.420 nan 0.000 0.267 138 P C -0.307 176.560 177.300 -0.722 0.000 1.289 138 P CA 0.060 62.800 63.100 -0.600 0.000 0.866 138 P CB 0.218 31.370 31.700 -0.913 0.000 1.309 139 F N 1.117 120.836 119.950 -0.386 0.000 2.954 139 F HA 0.273 4.829 4.527 0.048 0.000 0.300 139 F C 1.300 176.603 175.800 -0.828 0.000 1.206 139 F CA -0.490 57.134 58.000 -0.627 0.000 1.345 139 F CB 0.065 38.815 39.000 -0.417 0.000 1.206 139 F HN -0.295 nan 8.300 nan 0.000 0.537 140 R N -0.405 119.719 120.500 -0.627 0.000 2.923 140 R HA 0.622 4.991 4.340 0.049 0.000 0.252 140 R C -1.360 174.495 176.300 -0.743 0.000 1.130 140 R CA -0.995 54.679 56.100 -0.708 0.000 1.043 140 R CB 1.534 31.746 30.300 -0.147 0.000 1.205 140 R HN -0.015 nan 8.270 nan 0.000 0.495 141 F N 1.095 121.184 119.950 0.230 0.000 2.427 141 F HA 0.462 5.018 4.527 0.049 0.000 0.348 141 F C 0.219 176.340 175.800 0.535 0.000 1.125 141 F CA -0.688 57.548 58.000 0.394 0.000 0.989 141 F CB 1.247 40.568 39.000 0.534 0.000 1.165 141 F HN 0.214 nan 8.300 nan 0.000 0.442 142 I N 2.671 123.487 120.570 0.409 0.000 2.498 142 I HA 0.696 4.895 4.170 0.049 0.000 0.301 142 I C 0.063 176.156 176.117 -0.041 0.000 0.984 142 I CA -0.810 60.667 61.300 0.295 0.000 1.204 142 I CB 1.299 39.315 38.000 0.026 0.000 1.362 142 I HN 0.713 nan 8.210 nan 0.000 0.471 143 A N 7.919 130.328 122.820 -0.685 0.000 2.548 143 A HA 0.224 4.574 4.320 0.049 0.000 0.247 143 A C -1.940 175.293 177.584 -0.586 0.000 1.067 143 A CA -0.772 50.492 52.037 -1.289 0.000 0.757 143 A CB -0.426 17.978 19.000 -0.993 0.000 0.996 143 A HN 0.665 nan 8.150 nan 0.000 0.504 144 P HA -0.152 nan 4.420 nan 0.000 0.225 144 P C 1.604 178.462 177.300 -0.736 0.000 1.148 144 P CA 1.632 64.057 63.100 -1.126 0.000 0.779 144 P CB 0.078 31.266 31.700 -0.853 0.000 0.780 145 S N -1.122 114.341 115.700 -0.395 0.000 2.465 145 S HA -0.174 4.325 4.470 0.049 0.000 0.241 145 S C 1.597 176.113 174.600 -0.140 0.000 1.000 145 S CA 0.972 59.039 58.200 -0.221 0.000 0.964 145 S CB -0.861 62.250 63.200 -0.148 0.000 0.763 145 S HN 0.149 nan 8.310 nan 0.000 0.512 146 Q N 0.128 119.861 119.800 -0.110 0.000 2.319 146 Q HA 0.395 4.764 4.340 0.049 0.000 0.202 146 Q C -0.052 176.047 176.000 0.164 0.000 0.896 146 Q CA -0.237 55.574 55.803 0.013 0.000 0.942 146 Q CB -0.170 28.573 28.738 0.009 0.000 1.083 146 Q HN 0.646 nan 8.270 nan 0.000 0.510 147 F N 1.548 121.447 119.950 -0.085 0.000 2.490 147 F HA 0.064 4.620 4.527 0.049 0.000 0.336 147 F C 0.957 176.697 175.800 -0.100 0.000 1.178 147 F CA -0.148 57.809 58.000 -0.072 0.000 1.301 147 F CB 0.655 39.625 39.000 -0.049 0.000 1.175 147 F HN -0.314 nan 8.300 nan 0.000 0.593 148 K N 1.687 122.141 120.400 0.090 0.000 2.265 148 K HA 0.112 4.461 4.320 0.049 0.000 0.267 148 K C -0.229 176.373 176.600 0.002 0.000 0.994 148 K CA -0.678 55.616 56.287 0.012 0.000 0.860 148 K CB 1.031 33.529 32.500 -0.003 0.000 1.099 148 K HN 0.555 nan 8.250 nan 0.000 0.448 149 N N 3.064 121.735 118.700 -0.049 0.000 2.716 149 N HA -0.253 4.516 4.740 0.049 0.000 0.250 149 N C -0.705 174.873 175.510 0.114 0.000 1.033 149 N CA 1.034 54.081 53.050 -0.006 0.000 0.727 149 N CB -1.232 37.292 38.487 0.061 0.000 0.950 149 N HN 0.899 nan 8.380 nan 0.000 0.541 150 H N -3.033 116.152 119.070 0.192 0.000 2.958 150 H HA -0.186 4.399 4.556 0.049 0.000 0.274 150 H C -0.312 175.166 175.328 0.250 0.000 1.184 150 H CA 1.548 57.786 56.048 0.317 0.000 1.143 150 H CB -1.155 28.727 29.762 0.201 0.000 1.297 150 H HN 0.542 nan 8.280 nan 0.000 0.356 151 E N -0.344 119.918 120.200 0.104 0.000 2.410 151 E HA 0.404 4.784 4.350 0.049 0.000 0.269 151 E C 1.252 177.630 176.600 -0.369 0.000 0.937 151 E CA 0.172 56.477 56.400 -0.158 0.000 0.793 151 E CB 1.501 31.172 29.700 -0.048 0.000 1.314 151 E HN 0.227 nan 8.360 nan 0.000 0.447 152 T N -3.497 110.822 114.554 -0.391 0.000 2.975 152 T HA 0.039 4.419 4.350 0.049 0.000 0.261 152 T C 1.656 176.281 174.700 -0.125 0.000 0.984 152 T CA 0.089 62.023 62.100 -0.277 0.000 0.911 152 T CB -0.100 68.603 68.868 -0.276 0.000 1.127 152 T HN 0.482 nan 8.240 nan 0.000 0.514 153 M N 1.030 120.579 119.600 -0.085 0.000 2.374 153 M HA 0.174 4.683 4.480 0.049 0.000 0.264 153 M C 0.701 176.981 176.300 -0.034 0.000 1.067 153 M CA 1.295 56.573 55.300 -0.037 0.000 1.103 153 M CB -0.662 31.926 32.600 -0.019 0.000 1.402 153 M HN -0.024 nan 8.290 nan 0.000 0.444 154 N N 1.425 120.101 118.700 -0.040 0.000 2.235 154 N HA 0.350 5.120 4.740 0.049 0.000 0.209 154 N C 0.369 175.859 175.510 -0.032 0.000 1.122 154 N CA 0.882 53.915 53.050 -0.028 0.000 0.845 154 N CB 1.172 39.649 38.487 -0.017 0.000 1.004 154 N HN 0.620 nan 8.380 nan 0.000 0.499 155 G N 1.006 109.778 108.800 -0.048 0.000 2.459 155 G HA2 -0.003 3.986 3.960 0.049 0.000 0.685 155 G HA3 -0.003 3.986 3.960 0.049 0.000 0.685 155 G C -0.937 173.930 174.900 -0.055 0.000 1.303 155 G CA -0.713 44.358 45.100 -0.048 0.000 0.907 155 G HN 0.181 nan 8.290 nan 0.000 0.632 156 I N -2.458 118.084 120.570 -0.047 0.000 3.170 156 I HA 0.836 5.035 4.170 0.049 0.000 0.312 156 I C 0.779 176.893 176.117 -0.006 0.000 1.085 156 I CA -1.380 59.907 61.300 -0.023 0.000 0.999 156 I CB 1.876 39.854 38.000 -0.037 0.000 1.233 156 I HN 0.644 nan 8.210 nan 0.000 0.467 157 K N 1.493 121.899 120.400 0.011 0.000 2.558 157 K HA 0.533 4.883 4.320 0.049 0.000 0.191 157 K C 0.414 177.017 176.600 0.005 0.000 1.085 157 K CA 0.241 56.530 56.287 0.004 0.000 1.163 157 K CB -0.210 32.292 32.500 0.003 0.000 1.559 157 K HN 0.755 nan 8.250 nan 0.000 0.466 158 A N 2.378 125.204 122.820 0.010 0.000 2.310 158 A HA 0.311 4.660 4.320 0.049 0.000 0.299 158 A C -2.352 175.260 177.584 0.047 0.000 1.147 158 A CA -1.417 50.629 52.037 0.014 0.000 0.818 158 A CB 0.198 19.203 19.000 0.009 0.000 1.096 158 A HN 0.254 nan 8.150 nan 0.000 0.495 159 P HA 0.171 nan 4.420 nan 0.000 0.231 159 P C -0.802 176.572 177.300 0.123 0.000 1.811 159 P CA 0.067 63.255 63.100 0.148 0.000 1.051 159 P CB -0.224 31.535 31.700 0.099 0.000 1.951 160 I N 2.007 122.678 120.570 0.169 0.000 2.301 160 I HA 0.334 4.533 4.170 0.049 0.000 0.292 160 I C 1.248 177.570 176.117 0.341 0.000 1.046 160 I CA -0.110 61.285 61.300 0.159 0.000 1.282 160 I CB 0.603 38.654 38.000 0.085 0.000 1.409 160 I HN 0.161 nan 8.210 nan 0.000 0.484 161 G N 3.810 112.753 108.800 0.238 0.000 2.887 161 G HA2 0.476 4.465 3.960 0.049 0.000 0.277 161 G HA3 0.476 4.465 3.960 0.049 0.000 0.277 161 G C 0.627 175.801 174.900 0.456 0.000 1.346 161 G CA -0.018 45.326 45.100 0.407 0.000 1.058 161 G HN 0.523 nan 8.290 nan 0.000 0.535 162 T N -2.779 111.979 114.554 0.340 0.000 3.086 162 T HA 0.339 4.719 4.350 0.049 0.000 0.250 162 T C 1.224 176.130 174.700 0.344 0.000 1.074 162 T CA 0.569 62.796 62.100 0.211 0.000 0.988 162 T CB 0.130 68.976 68.868 -0.037 0.000 0.988 162 T HN 0.726 nan 8.240 nan 0.000 0.530 163 G N 2.474 111.400 108.800 0.211 0.000 2.653 163 G HA2 0.427 4.416 3.960 0.049 0.000 0.265 163 G HA3 0.427 4.416 3.960 0.049 0.000 0.265 163 G C -1.272 173.386 174.900 -0.403 0.000 1.237 163 G CA -1.300 43.825 45.100 0.041 0.000 0.946 163 G HN 0.077 nan 8.290 nan 0.000 0.522 164 P HA -0.010 nan 4.420 nan 0.000 0.230 164 P C -0.506 176.159 177.300 -1.059 0.000 1.158 164 P CA 0.858 63.132 63.100 -1.377 0.000 0.769 164 P CB 0.201 31.054 31.700 -1.411 0.000 0.807 165 W N -0.008 121.183 121.300 -0.181 0.000 2.736 165 W HA 0.556 5.245 4.660 0.049 0.000 0.335 165 W C -0.181 176.367 176.519 0.048 0.000 1.059 165 W CA -0.843 56.485 57.345 -0.029 0.000 1.226 165 W CB 1.314 30.762 29.460 -0.020 0.000 1.416 165 W HN -0.356 nan 8.180 nan 0.000 0.505 166 I N 3.272 124.049 120.570 0.345 0.000 2.474 166 I HA 0.251 4.450 4.170 0.049 0.000 0.294 166 I C -0.560 175.637 176.117 0.134 0.000 1.005 166 I CA -1.305 60.106 61.300 0.185 0.000 1.113 166 I CB 1.479 39.537 38.000 0.097 0.000 1.289 166 I HN 0.143 nan 8.210 nan 0.000 0.436 167 L N 5.878 127.048 121.223 -0.089 0.000 2.477 167 L HA 0.065 4.435 4.340 0.049 0.000 0.272 167 L C 1.154 177.873 176.870 -0.252 0.000 1.157 167 L CA 0.889 55.434 54.840 -0.491 0.000 0.889 167 L CB 0.580 42.334 42.059 -0.508 0.000 1.158 167 L HN 0.732 nan 8.230 nan 0.000 0.473 168 Q N 3.719 123.379 119.800 -0.234 0.000 2.061 168 Q HA 0.035 4.405 4.340 0.049 0.000 0.195 168 Q C -0.415 175.532 176.000 -0.088 0.000 0.967 168 Q CA 1.239 56.984 55.803 -0.097 0.000 0.829 168 Q CB 0.413 29.128 28.738 -0.039 0.000 0.900 168 Q HN 0.848 nan 8.270 nan 0.000 0.450 169 E N -1.046 119.093 120.200 -0.102 0.000 2.388 169 E HA 0.480 4.860 4.350 0.049 0.000 0.280 169 E C -1.640 174.941 176.600 -0.030 0.000 1.019 169 E CA -0.838 55.542 56.400 -0.034 0.000 0.806 169 E CB 1.691 31.430 29.700 0.064 0.000 1.246 169 E HN -0.067 nan 8.360 nan 0.000 0.443 170 S N 0.912 116.578 115.700 -0.056 0.000 2.538 170 S HA 0.495 4.995 4.470 0.049 0.000 0.288 170 S C -1.040 173.446 174.600 -0.189 0.000 1.108 170 S CA -0.991 57.147 58.200 -0.103 0.000 0.971 170 S CB 1.362 64.491 63.200 -0.117 0.000 1.041 170 S HN 0.376 nan 8.310 nan 0.000 0.483 171 K N 2.224 122.388 120.400 -0.395 0.000 2.535 171 K HA 0.324 4.673 4.320 0.049 0.000 0.253 171 K C -1.137 175.269 176.600 -0.324 0.000 0.953 171 K CA -0.849 55.157 56.287 -0.467 0.000 0.863 171 K CB 1.803 33.753 32.500 -0.918 0.000 1.111 171 K HN 0.464 nan 8.250 nan 0.000 0.431 172 L N 3.624 124.740 121.223 -0.180 0.000 2.559 172 L HA -0.062 4.307 4.340 0.049 0.000 0.274 172 L C 0.707 177.522 176.870 -0.091 0.000 1.205 172 L CA 1.310 56.087 54.840 -0.105 0.000 0.907 172 L CB -0.401 41.617 42.059 -0.068 0.000 1.153 172 L HN 0.859 nan 8.230 nan 0.000 0.490 173 N N 1.399 120.070 118.700 -0.049 0.000 2.909 173 N HA -0.253 4.516 4.740 0.049 0.000 0.242 173 N C 0.525 176.028 175.510 -0.012 0.000 0.975 173 N CA 1.904 54.944 53.050 -0.016 0.000 0.921 173 N CB -0.654 37.824 38.487 -0.015 0.000 1.112 173 N HN 0.911 nan 8.380 nan 0.000 0.581 174 Q N -2.255 117.505 119.800 -0.066 0.000 2.618 174 Q HA 0.269 4.638 4.340 0.049 0.000 0.209 174 Q C -0.276 175.781 176.000 0.095 0.000 0.797 174 Q CA 0.777 56.559 55.803 -0.035 0.000 0.888 174 Q CB 0.830 29.453 28.738 -0.191 0.000 1.244 174 Q HN 0.528 nan 8.270 nan 0.000 0.626 175 Y N -1.882 118.467 120.300 0.083 0.000 2.713 175 Y HA 0.577 5.156 4.550 0.049 0.000 0.335 175 Y C -2.015 173.947 175.900 0.104 0.000 1.222 175 Y CA -1.441 56.730 58.100 0.118 0.000 1.061 175 Y CB 1.229 39.746 38.460 0.096 0.000 1.314 175 Y HN -0.204 nan 8.280 nan 0.000 0.453 176 D N 1.163 121.830 120.400 0.445 0.000 2.738 176 D HA 0.576 5.245 4.640 0.049 0.000 0.237 176 D C -1.397 175.120 176.300 0.363 0.000 1.123 176 D CA -0.490 53.688 54.000 0.296 0.000 0.856 176 D CB 3.250 44.145 40.800 0.159 0.000 1.552 176 D HN 0.459 nan 8.370 nan 0.000 0.480 177 V N 2.212 122.206 119.914 0.133 0.000 2.487 177 V HA 0.473 4.623 4.120 0.049 0.000 0.298 177 V C -0.774 175.277 176.094 -0.072 0.000 1.028 177 V CA -0.693 61.672 62.300 0.109 0.000 0.860 177 V CB 1.272 33.116 31.823 0.035 0.000 0.991 177 V HN 0.367 nan 8.190 nan 0.000 0.427 178 F N 3.500 123.482 119.950 0.053 0.000 2.522 178 F HA 0.811 5.368 4.527 0.049 0.000 0.324 178 F C 0.175 176.033 175.800 0.096 0.000 1.077 178 F CA -0.826 57.205 58.000 0.051 0.000 0.944 178 F CB 2.192 41.179 39.000 -0.022 0.000 1.175 178 F HN 0.411 nan 8.300 nan 0.000 0.468 179 V N -0.175 119.953 119.914 0.357 0.000 2.960 179 V HA 0.636 4.785 4.120 0.049 0.000 0.315 179 V C -0.301 176.044 176.094 0.419 0.000 1.087 179 V CA -1.406 61.090 62.300 0.327 0.000 0.982 179 V CB 1.717 33.635 31.823 0.158 0.000 1.039 179 V HN 0.835 nan 8.190 nan 0.000 0.437 180 R N 2.460 123.130 120.500 0.284 0.000 2.570 180 R HA 0.088 4.457 4.340 0.049 0.000 0.277 180 R C 0.121 176.370 176.300 -0.085 0.000 1.039 180 R CA -0.028 56.010 56.100 -0.104 0.000 1.065 180 R CB 0.245 30.448 30.300 -0.162 0.000 0.964 180 R HN 0.955 nan 8.270 nan 0.000 0.428 181 N N 3.224 121.805 118.700 -0.199 0.000 2.399 181 N HA -0.045 4.724 4.740 0.049 0.000 0.259 181 N C -0.064 175.417 175.510 -0.048 0.000 1.160 181 N CA 0.112 53.113 53.050 -0.082 0.000 0.946 181 N CB 0.967 39.399 38.487 -0.092 0.000 1.156 181 N HN 0.568 nan 8.380 nan 0.000 0.489 182 E N 2.109 122.306 120.200 -0.006 0.000 2.478 182 E HA -0.012 4.367 4.350 0.049 0.000 0.198 182 E C -0.241 176.374 176.600 0.024 0.000 1.046 182 E CA 0.554 56.954 56.400 0.001 0.000 0.870 182 E CB 0.120 29.824 29.700 0.007 0.000 0.818 182 E HN 0.584 nan 8.360 nan 0.000 0.527 183 N N 0.419 119.151 118.700 0.052 0.000 2.467 183 N HA -0.014 4.756 4.740 0.049 0.000 0.278 183 N C -0.501 175.075 175.510 0.110 0.000 1.306 183 N CA -0.222 52.867 53.050 0.066 0.000 0.905 183 N CB 0.314 38.841 38.487 0.067 0.000 1.236 183 N HN 0.076 nan 8.380 nan 0.000 0.509 184 Y N 1.971 122.233 120.300 -0.065 0.000 2.425 184 Y HA -0.011 4.569 4.550 0.049 0.000 0.331 184 Y C 1.642 177.483 175.900 -0.099 0.000 1.157 184 Y CA -0.833 57.203 58.100 -0.107 0.000 1.372 184 Y CB 0.457 38.774 38.460 -0.238 0.000 1.253 184 Y HN 0.235 nan 8.280 nan 0.000 0.536 185 W N 4.797 125.687 121.300 -0.684 0.000 2.465 185 W HA 0.133 4.822 4.660 0.049 0.000 0.268 185 W C 0.226 176.296 176.519 -0.748 0.000 1.242 185 W CA 0.702 57.674 57.345 -0.622 0.000 1.248 185 W CB -1.008 28.135 29.460 -0.528 0.000 1.118 185 W HN 0.654 nan 8.180 nan 0.000 0.587 186 G N 1.033 108.555 108.800 -2.130 0.000 2.782 186 G HA2 0.233 4.222 3.960 0.049 0.000 0.201 186 G HA3 0.233 4.222 3.960 0.049 0.000 0.201 186 G C -0.803 173.733 174.900 -0.607 0.000 1.374 186 G CA -0.900 43.278 45.100 -1.537 0.000 1.039 186 G HN 0.070 nan 8.290 nan 0.000 0.576 187 E N 0.408 120.439 120.200 -0.280 0.000 2.384 187 E HA 0.167 4.546 4.350 0.049 0.000 0.266 187 E C -0.404 176.198 176.600 0.004 0.000 1.012 187 E CA -0.120 56.228 56.400 -0.086 0.000 0.901 187 E CB 1.130 30.808 29.700 -0.037 0.000 0.967 187 E HN 0.257 nan 8.360 nan 0.000 0.435 188 K N 4.393 124.773 120.400 -0.035 0.000 2.383 188 K HA 0.122 4.471 4.320 0.049 0.000 0.286 188 K C -2.445 174.095 176.600 -0.099 0.000 1.051 188 K CA -1.278 54.971 56.287 -0.065 0.000 0.974 188 K CB 0.336 32.805 32.500 -0.051 0.000 0.968 188 K HN 0.096 nan 8.250 nan 0.000 0.475 189 P HA 0.047 nan 4.420 nan 0.000 0.271 189 P C -0.353 176.919 177.300 -0.046 0.000 1.218 189 P CA -0.145 62.864 63.100 -0.152 0.000 0.780 189 P CB 1.293 32.745 31.700 -0.413 0.000 0.901 190 A N 3.868 126.706 122.820 0.030 0.000 1.930 190 A HA -0.050 4.300 4.320 0.049 0.000 0.217 190 A C 1.080 178.713 177.584 0.081 0.000 1.175 190 A CA 1.085 53.149 52.037 0.045 0.000 0.627 190 A CB -0.671 18.358 19.000 0.049 0.000 0.815 190 A HN 0.471 nan 8.150 nan 0.000 0.443 191 I N 0.155 120.824 120.570 0.166 0.000 2.529 191 I HA 0.111 4.310 4.170 0.049 0.000 0.284 191 I C 1.232 177.508 176.117 0.265 0.000 1.082 191 I CA 0.345 61.778 61.300 0.221 0.000 1.406 191 I CB 1.249 39.424 38.000 0.291 0.000 1.405 191 I HN 0.384 nan 8.210 nan 0.000 0.548 192 K N 5.225 125.737 120.400 0.187 0.000 2.313 192 K HA 0.126 4.476 4.320 0.049 0.000 0.197 192 K C 0.496 177.230 176.600 0.224 0.000 1.061 192 K CA 0.525 56.908 56.287 0.161 0.000 0.980 192 K CB 0.718 33.267 32.500 0.081 0.000 0.888 192 K HN 0.553 nan 8.250 nan 0.000 0.502 193 K N 0.889 121.387 120.400 0.163 0.000 2.525 193 K HA 0.351 4.700 4.320 0.049 0.000 0.254 193 K C -1.741 174.836 176.600 -0.038 0.000 0.934 193 K CA -0.654 55.691 56.287 0.097 0.000 0.802 193 K CB 1.527 34.055 32.500 0.046 0.000 1.295 193 K HN 0.033 nan 8.250 nan 0.000 0.433 194 I N 2.619 123.119 120.570 -0.116 0.000 2.478 194 I HA 0.227 4.427 4.170 0.049 0.000 0.287 194 I C -0.685 175.317 176.117 -0.192 0.000 1.042 194 I CA -0.718 60.377 61.300 -0.343 0.000 1.067 194 I CB 2.350 39.874 38.000 -0.793 0.000 1.233 194 I HN 0.476 nan 8.210 nan 0.000 0.431 195 T N 5.919 120.326 114.554 -0.244 0.000 2.771 195 T HA 0.521 4.900 4.350 0.049 0.000 0.281 195 T C -0.581 174.007 174.700 -0.187 0.000 0.982 195 T CA -0.251 61.793 62.100 -0.094 0.000 0.978 195 T CB 0.471 69.277 68.868 -0.102 0.000 0.930 195 T HN 0.104 nan 8.240 nan 0.000 0.447 196 F N 2.899 122.911 119.950 0.104 0.000 2.361 196 F HA 0.343 4.899 4.527 0.049 0.000 0.364 196 F C 1.091 177.016 175.800 0.209 0.000 1.120 196 F CA -0.870 57.227 58.000 0.160 0.000 1.102 196 F CB 0.543 39.681 39.000 0.231 0.000 1.183 196 F HN 0.462 nan 8.300 nan 0.000 0.476 197 N N 2.129 121.004 118.700 0.291 0.000 2.488 197 N HA 0.278 5.047 4.740 0.049 0.000 0.274 197 N C -0.956 174.719 175.510 0.277 0.000 1.111 197 N CA -0.527 52.679 53.050 0.261 0.000 0.974 197 N CB 1.503 40.089 38.487 0.165 0.000 1.089 197 N HN 0.219 nan 8.380 nan 0.000 0.465 198 V N 4.781 124.840 119.914 0.242 0.000 2.405 198 V HA 0.196 4.345 4.120 0.049 0.000 0.264 198 V C 0.215 176.390 176.094 0.136 0.000 1.048 198 V CA 0.186 62.608 62.300 0.202 0.000 0.966 198 V CB -0.326 31.589 31.823 0.153 0.000 1.015 198 V HN 0.558 nan 8.190 nan 0.000 0.477 199 I N 8.012 128.652 120.570 0.117 0.000 2.542 199 I HA 0.287 4.486 4.170 0.049 0.000 0.278 199 I C -1.667 174.462 176.117 0.020 0.000 1.069 199 I CA -1.353 59.988 61.300 0.069 0.000 1.100 199 I CB 2.518 40.565 38.000 0.078 0.000 1.204 199 I HN 0.398 nan 8.210 nan 0.000 0.470 200 P HA -0.067 nan 4.420 nan 0.000 0.225 200 P C 0.171 177.439 177.300 -0.053 0.000 1.156 200 P CA 0.908 63.986 63.100 -0.036 0.000 0.787 200 P CB 0.271 31.957 31.700 -0.024 0.000 0.802 201 D N -0.086 120.295 120.400 -0.032 0.000 2.177 201 D HA 0.165 4.834 4.640 0.049 0.000 0.247 201 D C -1.510 174.765 176.300 -0.041 0.000 1.063 201 D CA -2.496 51.481 54.000 -0.039 0.000 0.867 201 D CB 1.647 42.433 40.800 -0.023 0.000 1.168 201 D HN -0.174 nan 8.370 nan 0.000 0.445 202 P HA -0.101 nan 4.420 nan 0.000 0.217 202 P C 1.092 178.366 177.300 -0.043 0.000 1.150 202 P CA 1.016 64.076 63.100 -0.066 0.000 0.832 202 P CB 0.161 31.805 31.700 -0.092 0.000 0.787 203 T N -0.786 113.745 114.554 -0.038 0.000 2.777 203 T HA -0.102 4.277 4.350 0.049 0.000 0.266 203 T C 1.739 176.446 174.700 0.012 0.000 1.040 203 T CA 1.995 64.082 62.100 -0.023 0.000 1.141 203 T CB -1.216 67.637 68.868 -0.025 0.000 0.868 203 T HN 0.182 nan 8.240 nan 0.000 0.444 204 T N 1.948 116.510 114.554 0.013 0.000 2.788 204 T HA -0.062 4.317 4.350 0.049 0.000 0.268 204 T C 2.122 176.856 174.700 0.056 0.000 1.044 204 T CA 0.908 63.028 62.100 0.032 0.000 1.139 204 T CB -0.147 68.735 68.868 0.023 0.000 0.867 204 T HN 0.365 nan 8.240 nan 0.000 0.454 205 R N 0.938 121.467 120.500 0.048 0.000 2.081 205 R HA 0.010 4.379 4.340 0.049 0.000 0.235 205 R C 2.863 179.245 176.300 0.138 0.000 1.131 205 R CA 1.341 57.488 56.100 0.079 0.000 0.960 205 R CB -0.504 29.823 30.300 0.045 0.000 0.856 205 R HN 0.379 nan 8.270 nan 0.000 0.436 206 A N 0.691 123.586 122.820 0.125 0.000 1.902 206 A HA -0.113 4.236 4.320 0.049 0.000 0.217 206 A C 2.364 180.129 177.584 0.300 0.000 1.181 206 A CA 1.383 53.562 52.037 0.237 0.000 0.623 206 A CB -0.518 18.527 19.000 0.075 0.000 0.818 206 A HN 0.118 nan 8.150 nan 0.000 0.443 207 V N -0.093 119.927 119.914 0.175 0.000 2.343 207 V HA -0.256 3.893 4.120 0.049 0.000 0.247 207 V C 3.046 179.207 176.094 0.112 0.000 1.051 207 V CA 1.911 64.295 62.300 0.140 0.000 1.036 207 V CB -1.257 30.617 31.823 0.085 0.000 0.654 207 V HN 0.615 nan 8.190 nan 0.000 0.451 208 A N -0.615 122.271 122.820 0.110 0.000 1.933 208 A HA -0.246 4.103 4.320 0.049 0.000 0.218 208 A C 2.105 179.726 177.584 0.062 0.000 1.175 208 A CA 2.055 54.139 52.037 0.078 0.000 0.628 208 A CB -0.670 18.384 19.000 0.090 0.000 0.814 208 A HN 0.547 nan 8.150 nan 0.000 0.444 209 F N 0.818 120.763 119.950 -0.009 0.000 2.163 209 F HA -0.077 4.480 4.527 0.050 0.000 0.297 209 F C 2.181 177.864 175.800 -0.195 0.000 1.094 209 F CA 1.945 59.882 58.000 -0.106 0.000 1.290 209 F CB -0.240 38.690 39.000 -0.116 0.000 1.017 209 F HN 0.342 nan 8.300 nan 0.000 0.483 210 E N -0.549 119.592 120.200 -0.098 0.000 2.110 210 E HA -0.216 4.163 4.350 0.049 0.000 0.193 210 E C 2.063 178.575 176.600 -0.147 0.000 0.988 210 E CA 1.887 58.209 56.400 -0.131 0.000 0.804 210 E CB -0.412 29.363 29.700 0.124 0.000 0.745 210 E HN 0.534 nan 8.360 nan 0.000 0.458 211 T N -2.980 111.513 114.554 -0.102 0.000 3.085 211 T HA 0.145 4.525 4.350 0.049 0.000 0.263 211 T C 1.577 176.198 174.700 -0.132 0.000 1.127 211 T CA 0.562 62.615 62.100 -0.079 0.000 1.103 211 T CB 0.351 69.201 68.868 -0.030 0.000 0.921 211 T HN 0.307 nan 8.240 nan 0.000 0.510 212 G N 1.336 109.994 108.800 -0.237 0.000 2.141 212 G HA2 -0.241 3.748 3.960 0.049 0.000 0.242 212 G HA3 -0.241 3.748 3.960 0.049 0.000 0.242 212 G C 0.458 175.267 174.900 -0.152 0.000 0.982 212 G CA 0.284 45.235 45.100 -0.248 0.000 0.662 212 G HN 0.499 nan 8.290 nan 0.000 0.527 213 D N -0.001 120.338 120.400 -0.101 0.000 2.219 213 D HA 0.089 4.759 4.640 0.049 0.000 0.205 213 D C 1.732 178.010 176.300 -0.036 0.000 0.970 213 D CA 1.534 55.505 54.000 -0.048 0.000 0.851 213 D CB 0.155 40.949 40.800 -0.011 0.000 0.943 213 D HN 0.910 nan 8.370 nan 0.000 0.488 214 I N -3.348 117.200 120.570 -0.036 0.000 3.042 214 I HA 0.380 4.580 4.170 0.049 0.000 0.310 214 I C -0.325 175.799 176.117 0.012 0.000 1.117 214 I CA -0.774 60.534 61.300 0.014 0.000 1.003 214 I CB 2.549 40.603 38.000 0.090 0.000 1.228 214 I HN -0.441 nan 8.210 nan 0.000 0.443 215 D N 1.907 122.349 120.400 0.069 0.000 2.423 215 D HA 0.293 4.962 4.640 0.049 0.000 0.208 215 D C -0.261 176.197 176.300 0.263 0.000 1.068 215 D CA 0.763 54.827 54.000 0.107 0.000 0.860 215 D CB 1.470 42.293 40.800 0.039 0.000 0.992 215 D HN 0.360 nan 8.370 nan 0.000 0.504 216 L N 0.762 122.122 121.223 0.227 0.000 2.565 216 L HA 0.402 4.771 4.340 0.049 0.000 0.261 216 L C -2.158 174.802 176.870 0.151 0.000 0.932 216 L CA -0.487 54.457 54.840 0.173 0.000 0.878 216 L CB 1.961 44.100 42.059 0.133 0.000 1.333 216 L HN -0.239 nan 8.230 nan 0.000 0.409 217 L N 5.013 126.292 121.223 0.094 0.000 2.362 217 L HA 0.573 4.943 4.340 0.049 0.000 0.275 217 L C -1.643 175.324 176.870 0.162 0.000 0.998 217 L CA -0.687 54.221 54.840 0.113 0.000 0.820 217 L CB 2.072 44.147 42.059 0.027 0.000 1.270 217 L HN 0.709 nan 8.230 nan 0.000 0.415 218 Y N 2.263 122.602 120.300 0.066 0.000 2.396 218 Y HA 0.726 5.305 4.550 0.049 0.000 0.332 218 Y C -0.124 175.841 175.900 0.110 0.000 1.034 218 Y CA -0.269 57.861 58.100 0.050 0.000 1.057 218 Y CB 2.107 40.557 38.460 -0.017 0.000 1.220 218 Y HN 0.630 nan 8.280 nan 0.000 0.440 219 G N 3.764 112.569 108.800 0.008 0.000 2.340 219 G HA2 0.179 4.168 3.960 0.049 0.000 0.299 219 G HA3 0.179 4.168 3.960 0.049 0.000 0.299 219 G C -1.578 173.261 174.900 -0.101 0.000 1.291 219 G CA -0.803 44.338 45.100 0.068 0.000 0.841 219 G HN 0.794 nan 8.290 nan 0.000 0.500 220 N N -0.403 118.247 118.700 -0.082 0.000 2.386 220 N HA 0.192 4.961 4.740 0.049 0.000 0.291 220 N C 1.418 176.816 175.510 -0.187 0.000 1.309 220 N CA 0.456 53.431 53.050 -0.124 0.000 0.948 220 N CB 0.013 38.457 38.487 -0.072 0.000 1.083 220 N HN 0.628 nan 8.380 nan 0.000 0.527 221 E N -1.387 118.709 120.200 -0.173 0.000 2.338 221 E HA -0.065 4.315 4.350 0.049 0.000 0.197 221 E C 1.160 177.647 176.600 -0.189 0.000 1.007 221 E CA 1.264 57.546 56.400 -0.197 0.000 0.849 221 E CB -0.934 28.670 29.700 -0.159 0.000 0.774 221 E HN 0.745 nan 8.360 nan 0.000 0.506 222 G N 1.113 109.811 108.800 -0.170 0.000 2.985 222 G HA2 0.030 4.020 3.960 0.049 0.000 0.209 222 G HA3 0.030 4.020 3.960 0.049 0.000 0.209 222 G C 1.314 176.108 174.900 -0.176 0.000 1.165 222 G CA 0.193 45.193 45.100 -0.167 0.000 0.776 222 G HN 0.239 nan 8.290 nan 0.000 0.541 223 L N 0.390 121.501 121.223 -0.186 0.000 2.012 223 L HA 0.207 4.577 4.340 0.049 0.000 0.210 223 L C 0.945 177.735 176.870 -0.133 0.000 1.073 223 L CA 1.796 56.537 54.840 -0.165 0.000 0.748 223 L CB -0.164 41.799 42.059 -0.160 0.000 0.891 223 L HN 0.344 nan 8.230 nan 0.000 0.431 224 L N -6.507 114.630 121.223 -0.143 0.000 2.720 224 L HA 0.603 4.972 4.340 0.049 0.000 0.261 224 L C -2.720 174.059 176.870 -0.150 0.000 1.046 224 L CA -1.958 52.810 54.840 -0.121 0.000 0.886 224 L CB 0.852 42.857 42.059 -0.090 0.000 1.493 224 L HN -0.363 nan 8.230 nan 0.000 0.407 225 P HA 0.210 nan 4.420 nan 0.000 0.264 225 P C 0.501 177.679 177.300 -0.204 0.000 1.193 225 P CA 0.023 63.018 63.100 -0.175 0.000 0.763 225 P CB 0.676 32.268 31.700 -0.179 0.000 0.810 226 L N 1.990 123.101 121.223 -0.187 0.000 2.217 226 L HA -0.122 4.247 4.340 0.049 0.000 0.211 226 L C 1.836 178.496 176.870 -0.349 0.000 1.107 226 L CA 1.176 55.925 54.840 -0.151 0.000 0.783 226 L CB -0.665 41.354 42.059 -0.068 0.000 0.919 226 L HN 0.401 nan 8.230 nan 0.000 0.442 227 D N -1.259 118.752 120.400 -0.649 0.000 2.117 227 D HA -0.179 4.491 4.640 0.049 0.000 0.197 227 D C 1.870 177.771 176.300 -0.664 0.000 0.987 227 D CA 1.735 55.001 54.000 -1.224 0.000 0.829 227 D CB -0.795 39.499 40.800 -0.844 0.000 0.961 227 D HN 0.097 nan 8.370 nan 0.000 0.460 228 T N -0.125 114.143 114.554 -0.477 0.000 2.737 228 T HA -0.091 4.289 4.350 0.049 0.000 0.265 228 T C 1.474 175.759 174.700 -0.691 0.000 1.038 228 T CA 0.994 62.753 62.100 -0.567 0.000 1.144 228 T CB -0.679 67.831 68.868 -0.597 0.000 0.866 228 T HN 0.168 nan 8.240 nan 0.000 0.434 229 F N 2.445 122.048 119.950 -0.578 0.000 2.091 229 F HA -0.154 4.403 4.527 0.049 0.000 0.299 229 F C 2.445 178.144 175.800 -0.169 0.000 1.103 229 F CA 1.228 59.012 58.000 -0.360 0.000 1.228 229 F CB -0.713 38.150 39.000 -0.229 0.000 0.984 229 F HN 0.150 nan 8.300 nan 0.000 0.477 230 A N 0.299 123.025 122.820 -0.158 0.000 1.902 230 A HA -0.211 4.138 4.320 0.049 0.000 0.217 230 A C 2.349 179.875 177.584 -0.098 0.000 1.181 230 A CA 1.730 53.715 52.037 -0.087 0.000 0.623 230 A CB -0.892 18.230 19.000 0.204 0.000 0.818 230 A HN 0.497 nan 8.150 nan 0.000 0.443 231 R N -1.476 118.963 120.500 -0.102 0.000 2.083 231 R HA -0.150 4.219 4.340 0.049 0.000 0.237 231 R C 1.766 178.159 176.300 0.155 0.000 1.137 231 R CA 1.914 58.023 56.100 0.015 0.000 0.951 231 R CB -0.449 29.860 30.300 0.014 0.000 0.851 231 R HN 0.399 nan 8.270 nan 0.000 0.434 232 F N 1.102 121.009 119.950 -0.072 0.000 2.202 232 F HA -0.177 4.380 4.527 0.049 0.000 0.301 232 F C 2.683 178.421 175.800 -0.103 0.000 1.082 232 F CA 1.509 59.528 58.000 0.031 0.000 1.313 232 F CB -1.139 37.839 39.000 -0.037 0.000 1.024 232 F HN 0.224 nan 8.300 nan 0.000 0.495 233 S N -0.595 115.033 115.700 -0.121 0.000 2.474 233 S HA -0.170 4.330 4.470 0.049 0.000 0.235 233 S C 1.536 176.090 174.600 -0.077 0.000 0.997 233 S CA 0.842 58.916 58.200 -0.210 0.000 0.949 233 S CB -0.483 62.496 63.200 -0.368 0.000 0.766 233 S HN 0.547 nan 8.310 nan 0.000 0.517 234 Q N 0.751 120.532 119.800 -0.030 0.000 2.384 234 Q HA 0.269 4.638 4.340 0.049 0.000 0.207 234 Q C 0.165 176.144 176.000 -0.034 0.000 0.904 234 Q CA -0.182 55.610 55.803 -0.019 0.000 0.933 234 Q CB 0.053 28.788 28.738 -0.004 0.000 1.077 234 Q HN 0.430 nan 8.270 nan 0.000 0.522 235 N N 2.226 120.897 118.700 -0.047 0.000 2.420 235 N HA 0.028 4.797 4.740 0.049 0.000 0.262 235 N C -1.871 173.525 175.510 -0.189 0.000 1.144 235 N CA -1.438 51.503 53.050 -0.182 0.000 0.952 235 N CB 1.178 39.425 38.487 -0.401 0.000 1.081 235 N HN -0.003 nan 8.380 nan 0.000 0.480 236 P HA 0.010 nan 4.420 nan 0.000 0.237 236 P C 0.553 177.799 177.300 -0.089 0.000 1.178 236 P CA 0.418 63.467 63.100 -0.085 0.000 0.766 236 P CB 0.248 31.911 31.700 -0.062 0.000 0.876 237 A N -1.644 121.048 122.820 -0.214 0.000 2.167 237 A HA 0.027 4.377 4.320 0.049 0.000 0.214 237 A C 0.465 178.110 177.584 0.103 0.000 1.151 237 A CA 0.683 52.632 52.037 -0.147 0.000 0.735 237 A CB -0.678 18.155 19.000 -0.278 0.000 0.802 237 A HN 0.064 nan 8.150 nan 0.000 0.467 238 Y N -1.731 118.589 120.300 0.034 0.000 2.567 238 Y HA 0.613 5.192 4.550 0.049 0.000 0.333 238 Y C 0.041 176.014 175.900 0.121 0.000 1.106 238 Y CA -2.196 55.961 58.100 0.096 0.000 1.157 238 Y CB 0.492 38.960 38.460 0.014 0.000 1.277 238 Y HN 0.286 nan 8.280 nan 0.000 0.490 239 H N 0.000 119.192 119.070 0.203 0.000 2.495 239 H HA 0.652 5.238 4.556 0.049 0.000 0.348 239 H C -0.846 174.508 175.328 0.042 0.000 1.113 239 H CA -0.499 55.607 56.048 0.095 0.000 1.195 239 H CB 1.393 31.204 29.762 0.082 0.000 1.521 239 H HN 0.715 nan 8.280 nan 0.000 0.509 240 T N 2.031 116.283 114.554 -0.505 0.000 2.906 240 T HA 0.635 5.015 4.350 0.049 0.000 0.295 240 T C -0.826 173.648 174.700 -0.375 0.000 1.075 240 T CA -1.042 60.852 62.100 -0.345 0.000 1.005 240 T CB 2.193 70.849 68.868 -0.353 0.000 1.136 240 T HN 0.667 nan 8.240 nan 0.000 0.498 241 Q N 0.207 120.000 119.800 -0.010 0.000 2.416 241 Q HA 0.710 5.079 4.340 0.049 0.000 0.281 241 Q C -1.994 174.147 176.000 0.234 0.000 1.067 241 Q CA -1.039 54.820 55.803 0.093 0.000 0.809 241 Q CB 2.964 31.770 28.738 0.114 0.000 1.418 241 Q HN 0.645 nan 8.270 nan 0.000 0.411 242 L N 1.357 122.687 121.223 0.179 0.000 2.439 242 L HA 0.487 4.857 4.340 0.049 0.000 0.270 242 L C -0.566 176.295 176.870 -0.016 0.000 0.972 242 L CA -0.113 54.755 54.840 0.045 0.000 0.836 242 L CB 2.096 44.205 42.059 0.083 0.000 1.255 242 L HN 0.816 nan 8.230 nan 0.000 0.404 243 S N 3.286 118.853 115.700 -0.222 0.000 2.634 243 S HA 0.459 4.958 4.470 0.049 0.000 0.261 243 S C 0.064 174.529 174.600 -0.226 0.000 1.271 243 S CA -0.572 57.369 58.200 -0.431 0.000 0.985 243 S CB 0.580 63.156 63.200 -1.039 0.000 0.968 243 S HN 0.727 nan 8.310 nan 0.000 0.568 244 Q N 1.014 120.701 119.800 -0.188 0.000 2.454 244 Q HA 0.271 4.640 4.340 0.049 0.000 0.247 244 Q C -2.261 173.661 176.000 -0.130 0.000 1.028 244 Q CA -1.487 54.249 55.803 -0.112 0.000 0.910 244 Q CB -0.324 28.371 28.738 -0.071 0.000 1.276 244 Q HN 0.486 nan 8.270 nan 0.000 0.489 245 P HA -0.068 nan 4.420 nan 0.000 0.267 245 P C -0.070 177.191 177.300 -0.066 0.000 1.200 245 P CA 0.563 63.631 63.100 -0.054 0.000 0.772 245 P CB 0.358 32.067 31.700 0.015 0.000 0.855 246 I N -0.598 119.944 120.570 -0.047 0.000 4.139 246 I HA 0.358 4.557 4.170 0.049 0.000 0.320 246 I C 0.498 176.625 176.117 0.017 0.000 1.290 246 I CA 0.176 61.463 61.300 -0.022 0.000 1.253 246 I CB 0.154 38.139 38.000 -0.025 0.000 1.122 246 I HN 0.303 nan 8.210 nan 0.000 0.421 247 E N 0.805 121.023 120.200 0.030 0.000 2.432 247 E HA 0.340 4.720 4.350 0.049 0.000 0.279 247 E C -1.363 175.284 176.600 0.080 0.000 1.099 247 E CA -0.818 55.606 56.400 0.040 0.000 0.859 247 E CB 1.145 30.859 29.700 0.024 0.000 1.402 247 E HN -0.063 nan 8.360 nan 0.000 0.451 248 T N 0.816 115.375 114.554 0.009 0.000 2.829 248 T HA 0.465 4.844 4.350 0.049 0.000 0.282 248 T C -0.367 174.253 174.700 -0.133 0.000 0.990 248 T CA -0.564 61.527 62.100 -0.015 0.000 1.028 248 T CB 1.360 70.156 68.868 -0.120 0.000 0.951 248 T HN 0.309 nan 8.240 nan 0.000 0.460 249 V N 5.772 125.618 119.914 -0.114 0.000 2.435 249 V HA 0.701 4.850 4.120 0.049 0.000 0.290 249 V C 0.056 176.107 176.094 -0.072 0.000 1.030 249 V CA -0.618 61.640 62.300 -0.070 0.000 0.881 249 V CB 1.191 32.999 31.823 -0.026 0.000 0.983 249 V HN 0.881 nan 8.190 nan 0.000 0.445 250 M N 5.167 124.759 119.600 -0.013 0.000 2.721 250 M HA 0.629 5.138 4.480 0.049 0.000 0.271 250 M C -2.041 174.286 176.300 0.046 0.000 1.259 250 M CA -0.755 54.537 55.300 -0.014 0.000 0.835 250 M CB 2.022 34.578 32.600 -0.074 0.000 1.689 250 M HN 0.307 nan 8.290 nan 0.000 0.470 251 L N 1.840 123.050 121.223 -0.022 0.000 2.357 251 L HA 0.785 5.154 4.340 0.049 0.000 0.273 251 L C 0.338 177.264 176.870 0.095 0.000 1.080 251 L CA -0.793 53.998 54.840 -0.082 0.000 0.803 251 L CB 1.560 43.490 42.059 -0.215 0.000 1.174 251 L HN 0.946 nan 8.230 nan 0.000 0.443 252 A N 4.462 127.326 122.820 0.072 0.000 2.290 252 A HA 0.708 5.058 4.320 0.049 0.000 0.310 252 A C -0.561 177.042 177.584 0.030 0.000 1.202 252 A CA -0.511 51.575 52.037 0.082 0.000 0.837 252 A CB 0.482 19.533 19.000 0.086 0.000 1.139 252 A HN 0.642 nan 8.150 nan 0.000 0.509 253 L N 2.341 123.549 121.223 -0.025 0.000 2.309 253 L HA 0.353 4.722 4.340 0.049 0.000 0.282 253 L C 0.246 177.141 176.870 0.041 0.000 1.036 253 L CA -0.941 53.908 54.840 0.016 0.000 0.806 253 L CB 1.244 43.261 42.059 -0.070 0.000 1.220 253 L HN 0.689 nan 8.230 nan 0.000 0.429 254 N N 1.490 120.224 118.700 0.057 0.000 2.415 254 N HA 0.009 4.779 4.740 0.049 0.000 0.250 254 N C 1.065 176.504 175.510 -0.118 0.000 1.127 254 N CA -0.075 52.917 53.050 -0.097 0.000 0.945 254 N CB 1.122 39.410 38.487 -0.332 0.000 1.196 254 N HN 0.731 nan 8.380 nan 0.000 0.499 255 T N 0.092 114.573 114.554 -0.120 0.000 3.098 255 T HA 0.012 4.391 4.350 0.049 0.000 0.266 255 T C 1.154 175.792 174.700 -0.103 0.000 1.145 255 T CA 0.766 62.802 62.100 -0.107 0.000 1.092 255 T CB 0.065 68.865 68.868 -0.114 0.000 0.908 255 T HN 0.356 nan 8.240 nan 0.000 0.526 256 A N 0.067 122.809 122.820 -0.130 0.000 2.430 256 A HA 0.480 4.829 4.320 0.049 0.000 0.243 256 A C 0.664 178.184 177.584 -0.106 0.000 1.254 256 A CA -0.472 51.496 52.037 -0.115 0.000 0.914 256 A CB 0.107 19.028 19.000 -0.132 0.000 0.998 256 A HN 0.471 nan 8.150 nan 0.000 0.515 257 K N 0.520 120.854 120.400 -0.109 0.000 2.471 257 K HA 0.635 4.984 4.320 0.049 0.000 0.252 257 K C -0.359 176.211 176.600 -0.050 0.000 0.938 257 K CA -0.590 55.643 56.287 -0.090 0.000 0.796 257 K CB 1.682 34.101 32.500 -0.136 0.000 1.161 257 K HN 0.166 nan 8.250 nan 0.000 0.425 258 A N 4.416 127.227 122.820 -0.016 0.000 2.531 258 A HA 0.202 4.551 4.320 0.049 0.000 0.236 258 A C -1.726 175.860 177.584 0.004 0.000 1.062 258 A CA -0.723 51.328 52.037 0.024 0.000 0.760 258 A CB -0.103 18.935 19.000 0.064 0.000 0.995 258 A HN 0.724 nan 8.150 nan 0.000 0.501 259 P HA 0.039 nan 4.420 nan 0.000 0.267 259 P C 0.876 178.147 177.300 -0.048 0.000 1.289 259 P CA 0.739 63.842 63.100 0.005 0.000 0.866 259 P CB 0.007 31.613 31.700 -0.157 0.000 1.309 260 T N -2.191 112.324 114.554 -0.065 0.000 3.163 260 T HA -0.087 4.292 4.350 0.049 0.000 0.260 260 T C 1.519 176.188 174.700 -0.051 0.000 1.156 260 T CA 0.467 62.525 62.100 -0.069 0.000 1.072 260 T CB -1.029 67.799 68.868 -0.067 0.000 0.937 260 T HN 0.155 nan 8.240 nan 0.000 0.528 261 N N 1.622 120.304 118.700 -0.031 0.000 2.453 261 N HA -0.101 4.668 4.740 0.049 0.000 0.183 261 N C 0.169 175.678 175.510 -0.002 0.000 1.041 261 N CA 0.405 53.440 53.050 -0.025 0.000 0.900 261 N CB -0.209 38.270 38.487 -0.014 0.000 0.961 261 N HN 0.552 nan 8.380 nan 0.000 0.443 262 E N 0.612 120.826 120.200 0.025 0.000 2.194 262 E HA 0.065 4.444 4.350 0.049 0.000 0.284 262 E C 0.719 177.332 176.600 0.022 0.000 1.035 262 E CA -0.524 55.909 56.400 0.054 0.000 0.836 262 E CB 1.755 31.541 29.700 0.143 0.000 1.070 262 E HN 0.029 nan 8.360 nan 0.000 0.401 263 L N 4.560 125.794 121.223 0.018 0.000 2.043 263 L HA -0.259 4.110 4.340 0.049 0.000 0.212 263 L C 2.029 178.908 176.870 0.016 0.000 1.075 263 L CA 2.515 57.358 54.840 0.005 0.000 0.752 263 L CB -0.562 41.502 42.059 0.008 0.000 0.891 263 L HN 0.699 nan 8.230 nan 0.000 0.432 264 A N -1.400 121.447 122.820 0.045 0.000 1.933 264 A HA -0.137 4.212 4.320 0.049 0.000 0.218 264 A C 2.261 179.863 177.584 0.029 0.000 1.175 264 A CA 1.899 53.971 52.037 0.057 0.000 0.628 264 A CB -1.046 18.012 19.000 0.097 0.000 0.814 264 A HN 0.333 nan 8.150 nan 0.000 0.444 265 V N 0.077 119.989 119.914 -0.004 0.000 2.295 265 V HA -0.277 3.872 4.120 0.049 0.000 0.246 265 V C 2.644 178.691 176.094 -0.078 0.000 1.049 265 V CA 2.277 64.516 62.300 -0.102 0.000 1.024 265 V CB -0.813 30.899 31.823 -0.185 0.000 0.648 265 V HN 0.539 nan 8.190 nan 0.000 0.447 266 R N -0.158 120.307 120.500 -0.059 0.000 2.096 266 R HA -0.163 4.206 4.340 0.049 0.000 0.235 266 R C 2.295 178.562 176.300 -0.055 0.000 1.127 266 R CA 1.616 57.676 56.100 -0.067 0.000 0.968 266 R CB -0.335 29.921 30.300 -0.074 0.000 0.861 266 R HN 0.634 nan 8.270 nan 0.000 0.440 267 E N 0.705 120.893 120.200 -0.020 0.000 2.085 267 E HA -0.192 4.187 4.350 0.049 0.000 0.194 267 E C 2.090 178.757 176.600 0.111 0.000 0.994 267 E CA 1.280 57.694 56.400 0.023 0.000 0.801 267 E CB -0.138 29.612 29.700 0.083 0.000 0.743 267 E HN 0.359 nan 8.360 nan 0.000 0.453 268 A N 1.316 124.192 122.820 0.094 0.000 1.902 268 A HA -0.160 4.190 4.320 0.049 0.000 0.217 268 A C 2.228 179.857 177.584 0.075 0.000 1.181 268 A CA 1.055 53.160 52.037 0.114 0.000 0.623 268 A CB -0.709 18.304 19.000 0.022 0.000 0.818 268 A HN 0.131 nan 8.150 nan 0.000 0.443 269 L N -0.137 121.083 121.223 -0.005 0.000 2.081 269 L HA -0.224 4.145 4.340 0.049 0.000 0.212 269 L C 2.091 178.945 176.870 -0.027 0.000 1.080 269 L CA 1.338 56.161 54.840 -0.029 0.000 0.754 269 L CB -0.689 41.329 42.059 -0.069 0.000 0.893 269 L HN 0.444 nan 8.230 nan 0.000 0.433 270 N N -1.011 117.648 118.700 -0.068 0.000 2.512 270 N HA -0.131 4.639 4.740 0.049 0.000 0.183 270 N C 1.264 176.642 175.510 -0.220 0.000 1.073 270 N CA 0.964 53.919 53.050 -0.160 0.000 0.911 270 N CB 0.178 38.514 38.487 -0.252 0.000 0.964 270 N HN 0.393 nan 8.380 nan 0.000 0.447 271 Y N -0.186 120.106 120.300 -0.012 0.000 2.449 271 Y HA 0.288 4.858 4.550 0.034 0.000 0.254 271 Y C 1.979 177.899 175.900 0.034 0.000 1.140 271 Y CA -0.182 57.915 58.100 -0.006 0.000 1.272 271 Y CB 0.253 38.684 38.460 -0.048 0.000 1.114 271 Y HN -0.024 nan 8.280 nan 0.000 0.525 272 A N -0.454 122.473 122.820 0.179 0.000 2.123 272 A HA 0.202 4.551 4.320 0.049 0.000 0.214 272 A C 0.529 178.279 177.584 0.278 0.000 1.152 272 A CA 0.439 52.586 52.037 0.183 0.000 0.728 272 A CB -0.243 18.809 19.000 0.087 0.000 0.814 272 A HN 0.010 nan 8.150 nan 0.000 0.464 273 V N 1.876 121.917 119.914 0.211 0.000 2.370 273 V HA 0.203 4.352 4.120 0.049 0.000 0.283 273 V C -0.290 175.808 176.094 0.007 0.000 1.023 273 V CA -0.985 61.360 62.300 0.075 0.000 0.857 273 V CB 1.282 33.101 31.823 -0.006 0.000 0.985 273 V HN 0.454 nan 8.190 nan 0.000 0.443 274 N N 4.502 122.987 118.700 -0.358 0.000 2.415 274 N HA 0.158 4.927 4.740 0.049 0.000 0.250 274 N C 0.949 176.313 175.510 -0.243 0.000 1.127 274 N CA 0.030 52.757 53.050 -0.539 0.000 0.945 274 N CB 0.858 38.751 38.487 -0.990 0.000 1.196 274 N HN 0.602 nan 8.380 nan 0.000 0.499 275 K N 2.460 122.782 120.400 -0.131 0.000 2.155 275 K HA -0.131 4.218 4.320 0.049 0.000 0.203 275 K C 1.469 178.006 176.600 -0.105 0.000 1.052 275 K CA 0.951 57.175 56.287 -0.105 0.000 0.948 275 K CB 0.229 32.676 32.500 -0.089 0.000 0.728 275 K HN 0.275 nan 8.250 nan 0.000 0.448 276 K N 1.148 121.488 120.400 -0.100 0.000 2.057 276 K HA -0.052 4.297 4.320 0.049 0.000 0.207 276 K C 1.998 178.538 176.600 -0.101 0.000 1.049 276 K CA 1.603 57.839 56.287 -0.085 0.000 0.931 276 K CB -0.174 32.287 32.500 -0.065 0.000 0.714 276 K HN -0.083 nan 8.250 nan 0.000 0.440 277 S N 0.609 116.228 115.700 -0.135 0.000 2.382 277 S HA -0.095 4.405 4.470 0.049 0.000 0.228 277 S C 1.731 176.263 174.600 -0.113 0.000 1.027 277 S CA 1.189 59.309 58.200 -0.135 0.000 0.991 277 S CB -0.332 62.758 63.200 -0.183 0.000 0.823 277 S HN 0.406 nan 8.310 nan 0.000 0.469 278 L N 1.232 122.386 121.223 -0.114 0.000 2.017 278 L HA -0.077 4.292 4.340 0.049 0.000 0.208 278 L C 2.000 178.827 176.870 -0.072 0.000 1.073 278 L CA 1.475 56.263 54.840 -0.087 0.000 0.745 278 L CB -0.269 41.743 42.059 -0.079 0.000 0.894 278 L HN 0.281 nan 8.230 nan 0.000 0.432 279 I N -0.013 120.512 120.570 -0.075 0.000 2.226 279 I HA -0.283 3.916 4.170 0.049 0.000 0.245 279 I C 1.843 177.925 176.117 -0.058 0.000 1.100 279 I CA 1.281 62.543 61.300 -0.063 0.000 1.374 279 I CB -0.444 37.517 38.000 -0.065 0.000 1.057 279 I HN 0.305 nan 8.210 nan 0.000 0.413 280 D N 0.240 120.594 120.400 -0.076 0.000 2.224 280 D HA -0.140 4.530 4.640 0.049 0.000 0.205 280 D C 1.875 178.116 176.300 -0.099 0.000 0.965 280 D CA 0.787 54.727 54.000 -0.099 0.000 0.852 280 D CB -0.295 40.441 40.800 -0.107 0.000 0.947 280 D HN 0.287 nan 8.370 nan 0.000 0.494 281 N N 0.315 118.973 118.700 -0.071 0.000 2.258 281 N HA 0.001 4.771 4.740 0.049 0.000 0.183 281 N C 1.390 176.891 175.510 -0.015 0.000 1.029 281 N CA 1.200 54.220 53.050 -0.050 0.000 0.857 281 N CB 0.289 38.742 38.487 -0.057 0.000 1.008 281 N HN 0.056 nan 8.380 nan 0.000 0.433 282 A N -0.040 122.766 122.820 -0.023 0.000 2.115 282 A HA 0.323 4.672 4.320 0.049 0.000 0.211 282 A C 1.641 179.222 177.584 -0.004 0.000 1.169 282 A CA 0.099 52.124 52.037 -0.020 0.000 0.787 282 A CB 0.132 19.102 19.000 -0.050 0.000 0.858 282 A HN 0.262 nan 8.150 nan 0.000 0.474 283 L N -2.611 118.615 121.223 0.005 0.000 2.857 283 L HA 0.282 4.651 4.340 0.049 0.000 0.249 283 L C 0.256 177.190 176.870 0.106 0.000 1.172 283 L CA -0.329 54.519 54.840 0.013 0.000 0.980 283 L CB 0.097 42.137 42.059 -0.033 0.000 1.299 283 L HN 0.380 nan 8.230 nan 0.000 0.535 284 Y N 1.566 121.837 120.300 -0.048 0.000 3.721 284 Y HA -0.309 4.270 4.550 0.049 0.000 0.218 284 Y C 1.391 177.282 175.900 -0.016 0.000 1.188 284 Y CA 0.683 58.767 58.100 -0.028 0.000 1.607 284 Y CB -1.340 37.111 38.460 -0.015 0.000 1.496 284 Y HN 0.441 nan 8.280 nan 0.000 0.626 285 G N -0.439 108.344 108.800 -0.028 0.000 2.203 285 G HA2 -0.388 3.601 3.960 0.049 0.000 0.263 285 G HA3 -0.388 3.601 3.960 0.049 0.000 0.263 285 G C 0.856 175.763 174.900 0.011 0.000 1.012 285 G CA 1.135 46.211 45.100 -0.041 0.000 0.749 285 G HN 1.302 nan 8.290 nan 0.000 0.512 286 T N -3.695 110.883 114.554 0.040 0.000 3.081 286 T HA 0.412 4.791 4.350 0.049 0.000 0.250 286 T C 0.890 175.582 174.700 -0.013 0.000 1.100 286 T CA 1.041 63.165 62.100 0.040 0.000 1.038 286 T CB 0.513 69.407 68.868 0.043 0.000 0.962 286 T HN 0.396 nan 8.240 nan 0.000 0.516 287 Q N 0.616 120.400 119.800 -0.027 0.000 2.572 287 Q HA 0.540 4.910 4.340 0.049 0.000 0.284 287 Q C -0.720 175.265 176.000 -0.026 0.000 1.091 287 Q CA -0.815 54.965 55.803 -0.039 0.000 0.840 287 Q CB 1.239 29.941 28.738 -0.060 0.000 1.433 287 Q HN 0.262 nan 8.270 nan 0.000 0.471 288 Q N 0.370 120.162 119.800 -0.013 0.000 2.306 288 Q HA 0.447 4.816 4.340 0.049 0.000 0.265 288 Q C -0.491 175.470 176.000 -0.066 0.000 1.022 288 Q CA -0.791 55.015 55.803 0.005 0.000 0.853 288 Q CB 2.151 30.945 28.738 0.093 0.000 1.327 288 Q HN 0.344 nan 8.270 nan 0.000 0.449 289 V N 1.452 121.326 119.914 -0.066 0.000 2.673 289 V HA 0.215 4.364 4.120 0.049 0.000 0.303 289 V C 0.087 176.010 176.094 -0.285 0.000 1.046 289 V CA 0.068 62.285 62.300 -0.137 0.000 1.126 289 V CB 0.739 32.521 31.823 -0.067 0.000 0.934 289 V HN 0.806 nan 8.190 nan 0.000 0.487 290 A N 3.663 126.174 122.820 -0.514 0.000 2.303 290 A HA 0.604 4.954 4.320 0.049 0.000 0.320 290 A C 0.232 177.640 177.584 -0.293 0.000 1.192 290 A CA -0.525 51.003 52.037 -0.848 0.000 0.821 290 A CB 0.653 18.841 19.000 -1.354 0.000 1.188 290 A HN 0.821 nan 8.150 nan 0.000 0.492 291 D N 1.032 121.390 120.400 -0.070 0.000 2.469 291 D HA 0.121 4.790 4.640 0.049 0.000 0.213 291 D C 0.155 176.523 176.300 0.114 0.000 1.135 291 D CA 1.063 55.074 54.000 0.018 0.000 0.834 291 D CB 0.900 41.730 40.800 0.050 0.000 1.009 291 D HN 0.702 nan 8.370 nan 0.000 0.507 292 T N -2.081 112.555 114.554 0.137 0.000 2.903 292 T HA 0.257 4.636 4.350 0.049 0.000 0.299 292 T C 0.940 175.686 174.700 0.076 0.000 1.093 292 T CA -0.738 61.455 62.100 0.154 0.000 1.002 292 T CB 2.227 71.149 68.868 0.091 0.000 1.127 292 T HN -0.200 nan 8.240 nan 0.000 0.488 293 L N 0.692 121.888 121.223 -0.045 0.000 2.021 293 L HA 0.187 4.556 4.340 0.049 0.000 0.215 293 L C -0.004 176.510 176.870 -0.593 0.000 1.074 293 L CA 1.778 56.367 54.840 -0.418 0.000 0.760 293 L CB -0.743 40.974 42.059 -0.570 0.000 0.889 293 L HN 0.726 nan 8.230 nan 0.000 0.433 294 F N -0.528 119.406 119.950 -0.025 0.000 2.469 294 F HA 0.607 5.162 4.527 0.047 0.000 0.332 294 F C 0.786 176.524 175.800 -0.104 0.000 1.103 294 F CA -0.829 57.124 58.000 -0.078 0.000 0.979 294 F CB 0.769 39.701 39.000 -0.113 0.000 1.137 294 F HN -0.006 nan 8.300 nan 0.000 0.463 295 A N 3.783 126.470 122.820 -0.221 0.000 2.520 295 A HA 0.217 4.566 4.320 0.049 0.000 0.235 295 A C -1.778 175.682 177.584 -0.207 0.000 1.065 295 A CA -0.966 50.716 52.037 -0.593 0.000 0.764 295 A CB -0.202 18.108 19.000 -1.151 0.000 1.002 295 A HN 0.619 nan 8.150 nan 0.000 0.502 296 P HA -0.103 nan 4.420 nan 0.000 0.228 296 P C 1.282 178.521 177.300 -0.101 0.000 1.151 296 P CA 1.589 64.641 63.100 -0.080 0.000 0.770 296 P CB 0.044 31.715 31.700 -0.049 0.000 0.786 297 S N -2.193 113.422 115.700 -0.141 0.000 2.561 297 S HA 0.024 4.524 4.470 0.049 0.000 0.225 297 S C 0.843 175.365 174.600 -0.131 0.000 0.977 297 S CA -0.056 58.069 58.200 -0.125 0.000 0.926 297 S CB -1.068 62.056 63.200 -0.126 0.000 0.769 297 S HN -0.118 nan 8.310 nan 0.000 0.533 298 V N 4.005 123.833 119.914 -0.143 0.000 2.614 298 V HA 0.262 4.412 4.120 0.049 0.000 0.291 298 V C -2.162 173.812 176.094 -0.200 0.000 1.049 298 V CA -1.883 60.318 62.300 -0.166 0.000 1.038 298 V CB 0.414 32.126 31.823 -0.186 0.000 0.980 298 V HN 0.222 nan 8.190 nan 0.000 0.481 299 P HA 0.031 nan 4.420 nan 0.000 0.264 299 P C -0.373 176.721 177.300 -0.343 0.000 1.183 299 P CA 0.535 63.411 63.100 -0.373 0.000 0.763 299 P CB -0.066 31.427 31.700 -0.345 0.000 0.807 300 Y N 0.441 120.634 120.300 -0.178 0.000 4.916 300 Y HA -0.288 4.290 4.550 0.047 0.000 0.247 300 Y C 1.331 177.154 175.900 -0.128 0.000 0.962 300 Y CA 1.047 59.043 58.100 -0.174 0.000 1.933 300 Y CB -2.645 35.586 38.460 -0.383 0.000 1.451 300 Y HN 0.479 nan 8.280 nan 0.000 0.539 301 A N -0.528 122.271 122.820 -0.035 0.000 2.503 301 A HA 0.223 4.572 4.320 0.049 0.000 0.263 301 A C 0.781 178.369 177.584 0.006 0.000 1.258 301 A CA -0.035 52.007 52.037 0.009 0.000 0.936 301 A CB 0.070 19.072 19.000 0.004 0.000 1.070 301 A HN 0.358 nan 8.150 nan 0.000 0.522 302 N N 1.400 120.091 118.700 -0.015 0.000 2.663 302 N HA 0.305 5.074 4.740 0.049 0.000 0.250 302 N C -0.094 175.418 175.510 0.004 0.000 1.129 302 N CA 0.029 53.068 53.050 -0.017 0.000 0.995 302 N CB 0.348 38.814 38.487 -0.035 0.000 1.324 302 N HN 0.395 nan 8.380 nan 0.000 0.512 303 L N 1.086 122.312 121.223 0.005 0.000 2.966 303 L HA 0.299 4.668 4.340 0.049 0.000 0.262 303 L C 1.314 178.183 176.870 -0.002 0.000 1.165 303 L CA -0.111 54.738 54.840 0.015 0.000 0.978 303 L CB 0.389 42.467 42.059 0.031 0.000 1.337 303 L HN 0.525 nan 8.230 nan 0.000 0.563 304 G N 1.573 110.364 108.800 -0.014 0.000 2.249 304 G HA2 -0.286 3.703 3.960 0.049 0.000 0.273 304 G HA3 -0.286 3.703 3.960 0.049 0.000 0.273 304 G C 0.234 175.112 174.900 -0.036 0.000 1.036 304 G CA -0.019 45.072 45.100 -0.015 0.000 0.824 304 G HN 0.244 nan 8.290 nan 0.000 0.504 305 L N -0.580 120.581 121.223 -0.103 0.000 2.485 305 L HA 0.264 4.633 4.340 0.049 0.000 0.275 305 L C 1.014 177.801 176.870 -0.139 0.000 1.207 305 L CA -0.128 54.574 54.840 -0.229 0.000 0.855 305 L CB 0.584 42.276 42.059 -0.611 0.000 1.114 305 L HN 0.207 nan 8.230 nan 0.000 0.485 306 K N 5.834 126.234 120.400 0.000 0.000 2.312 306 K HA 0.261 4.610 4.320 0.049 0.000 0.287 306 K C -2.261 174.460 176.600 0.200 0.000 1.062 306 K CA -1.385 54.965 56.287 0.105 0.000 0.934 306 K CB 0.766 33.343 32.500 0.130 0.000 1.027 306 K HN 0.174 nan 8.250 nan 0.000 0.478 307 P HA 0.030 nan 4.420 nan 0.000 0.271 307 P C -0.972 176.354 177.300 0.043 0.000 1.218 307 P CA -0.319 62.845 63.100 0.107 0.000 0.780 307 P CB 1.025 32.766 31.700 0.069 0.000 0.901 308 S N 1.925 117.564 115.700 -0.102 0.000 2.592 308 S HA 0.165 4.665 4.470 0.049 0.000 0.305 308 S C 0.263 174.766 174.600 -0.162 0.000 1.118 308 S CA -0.292 57.672 58.200 -0.394 0.000 1.075 308 S CB -0.256 62.344 63.200 -1.001 0.000 1.107 308 S HN 0.379 nan 8.310 nan 0.000 0.503 309 Q N 1.611 121.453 119.800 0.071 0.000 2.392 309 Q HA 0.145 4.515 4.340 0.049 0.000 0.262 309 Q C -0.286 175.848 176.000 0.223 0.000 1.003 309 Q CA -0.245 55.639 55.803 0.135 0.000 0.888 309 Q CB 0.363 29.181 28.738 0.134 0.000 1.260 309 Q HN 0.658 nan 8.270 nan 0.000 0.435 310 Y N 2.919 123.269 120.300 0.082 0.000 2.865 310 Y HA -0.072 4.508 4.550 0.050 0.000 0.338 310 Y C -0.668 175.302 175.900 0.117 0.000 1.269 310 Y CA 0.727 58.881 58.100 0.091 0.000 1.585 310 Y CB 0.273 38.755 38.460 0.037 0.000 1.224 310 Y HN 0.515 nan 8.280 nan 0.000 0.554 311 D N 8.895 129.046 120.400 -0.415 0.000 2.634 311 D HA 0.160 4.830 4.640 0.049 0.000 0.236 311 D C -2.379 173.685 176.300 -0.394 0.000 1.323 311 D CA -1.462 52.274 54.000 -0.439 0.000 0.884 311 D CB 1.069 41.756 40.800 -0.188 0.000 1.496 311 D HN 0.322 nan 8.370 nan 0.000 0.525 312 P HA -0.182 nan 4.420 nan 0.000 0.220 312 P C 1.403 178.603 177.300 -0.168 0.000 1.148 312 P CA 0.875 63.830 63.100 -0.242 0.000 0.803 312 P CB 0.498 32.095 31.700 -0.172 0.000 0.782 313 Q N 0.877 120.563 119.800 -0.189 0.000 2.084 313 Q HA -0.199 4.171 4.340 0.049 0.000 0.202 313 Q C 2.398 178.299 176.000 -0.166 0.000 0.978 313 Q CA 1.781 57.498 55.803 -0.143 0.000 0.844 313 Q CB -0.300 28.360 28.738 -0.129 0.000 0.898 313 Q HN 0.065 nan 8.270 nan 0.000 0.426 314 K N -0.209 120.039 120.400 -0.253 0.000 2.057 314 K HA -0.122 4.227 4.320 0.049 0.000 0.207 314 K C 1.951 178.377 176.600 -0.290 0.000 1.049 314 K CA 1.208 57.281 56.287 -0.357 0.000 0.931 314 K CB -0.287 31.804 32.500 -0.682 0.000 0.714 314 K HN 0.306 nan 8.250 nan 0.000 0.440 315 A N 1.382 124.082 122.820 -0.200 0.000 1.883 315 A HA -0.223 4.127 4.320 0.049 0.000 0.217 315 A C 1.908 179.464 177.584 -0.045 0.000 1.186 315 A CA 1.950 53.955 52.037 -0.053 0.000 0.624 315 A CB -0.460 18.549 19.000 0.016 0.000 0.822 315 A HN 0.335 nan 8.150 nan 0.000 0.444 316 K N -0.346 120.022 120.400 -0.055 0.000 2.057 316 K HA -0.067 4.283 4.320 0.049 0.000 0.207 316 K C 2.337 178.924 176.600 -0.021 0.000 1.049 316 K CA 1.148 57.419 56.287 -0.027 0.000 0.931 316 K CB -0.371 32.111 32.500 -0.029 0.000 0.714 316 K HN 0.445 nan 8.250 nan 0.000 0.440 317 A N 1.572 124.361 122.820 -0.052 0.000 1.883 317 A HA -0.165 4.185 4.320 0.049 0.000 0.217 317 A C 2.166 179.737 177.584 -0.021 0.000 1.186 317 A CA 1.364 53.374 52.037 -0.044 0.000 0.624 317 A CB -0.734 18.220 19.000 -0.077 0.000 0.822 317 A HN 0.165 nan 8.150 nan 0.000 0.444 318 L N -0.713 120.491 121.223 -0.031 0.000 2.012 318 L HA -0.214 4.155 4.340 0.049 0.000 0.210 318 L C 2.634 179.540 176.870 0.060 0.000 1.073 318 L CA 1.272 56.117 54.840 0.009 0.000 0.748 318 L CB -0.544 41.524 42.059 0.014 0.000 0.891 318 L HN 0.397 nan 8.230 nan 0.000 0.431 319 L N -0.900 120.361 121.223 0.063 0.000 2.017 319 L HA -0.194 4.175 4.340 0.049 0.000 0.208 319 L C 2.767 179.752 176.870 0.191 0.000 1.073 319 L CA 1.130 56.054 54.840 0.140 0.000 0.745 319 L CB -0.656 41.448 42.059 0.076 0.000 0.894 319 L HN 0.270 nan 8.230 nan 0.000 0.432 320 E N 0.439 120.702 120.200 0.106 0.000 2.070 320 E HA -0.300 4.079 4.350 0.049 0.000 0.197 320 E C 2.121 178.756 176.600 0.058 0.000 1.004 320 E CA 1.400 57.846 56.400 0.076 0.000 0.805 320 E CB -0.215 29.506 29.700 0.036 0.000 0.744 320 E HN 0.396 nan 8.360 nan 0.000 0.451 321 K N 0.396 120.826 120.400 0.049 0.000 2.147 321 K HA -0.064 4.285 4.320 0.049 0.000 0.205 321 K C 1.777 178.402 176.600 0.041 0.000 1.049 321 K CA 1.045 57.351 56.287 0.032 0.000 0.936 321 K CB -0.003 32.511 32.500 0.024 0.000 0.722 321 K HN 0.040 nan 8.250 nan 0.000 0.446 322 A N -0.118 122.757 122.820 0.092 0.000 2.238 322 A HA 0.194 4.544 4.320 0.049 0.000 0.208 322 A C 1.177 178.761 177.584 0.001 0.000 1.177 322 A CA 0.797 52.900 52.037 0.111 0.000 0.804 322 A CB -0.245 18.915 19.000 0.267 0.000 0.823 322 A HN 0.512 nan 8.150 nan 0.000 0.482 323 G N -2.657 106.126 108.800 -0.029 0.000 2.141 323 G HA2 -0.261 3.729 3.960 0.049 0.000 0.242 323 G HA3 -0.261 3.729 3.960 0.049 0.000 0.242 323 G C -0.224 174.525 174.900 -0.252 0.000 0.982 323 G CA 0.021 45.025 45.100 -0.162 0.000 0.662 323 G HN 0.469 nan 8.290 nan 0.000 0.527 324 W N 2.057 123.352 121.300 -0.009 0.000 2.360 324 W HA 0.570 5.256 4.660 0.044 0.000 0.344 324 W C 0.931 177.445 176.519 -0.009 0.000 1.025 324 W CA 0.110 57.450 57.345 -0.008 0.000 1.480 324 W CB 0.739 30.195 29.460 -0.007 0.000 1.350 324 W HN 0.386 nan 8.180 nan 0.000 0.382 325 T N -0.142 114.498 114.554 0.143 0.000 2.932 325 T HA 0.685 5.065 4.350 0.049 0.000 0.289 325 T C -0.541 174.209 174.700 0.084 0.000 1.039 325 T CA -1.033 61.121 62.100 0.090 0.000 1.024 325 T CB 1.254 70.142 68.868 0.034 0.000 1.090 325 T HN 0.134 nan 8.240 nan 0.000 0.496 326 L N 3.084 124.343 121.223 0.061 0.000 2.313 326 L HA 0.408 4.777 4.340 0.049 0.000 0.282 326 L C -1.730 175.161 176.870 0.034 0.000 1.092 326 L CA -1.816 53.055 54.840 0.051 0.000 0.831 326 L CB 0.522 42.604 42.059 0.039 0.000 1.159 326 L HN 0.566 nan 8.230 nan 0.000 0.442 327 P HA 0.237 nan 4.420 nan 0.000 0.282 327 P C -0.874 176.437 177.300 0.018 0.000 1.249 327 P CA -0.582 62.532 63.100 0.022 0.000 0.806 327 P CB 1.392 33.107 31.700 0.024 0.000 0.984 328 A N 2.036 124.863 122.820 0.012 0.000 2.404 328 A HA 0.518 4.868 4.320 0.049 0.000 0.273 328 A C 0.851 178.442 177.584 0.010 0.000 1.144 328 A CA 0.069 52.112 52.037 0.010 0.000 0.806 328 A CB -0.522 18.482 19.000 0.007 0.000 1.080 328 A HN 0.641 nan 8.150 nan 0.000 0.509 329 G N 3.425 112.231 108.800 0.011 0.000 4.519 329 G HA2 0.496 4.485 3.960 0.049 0.000 0.336 329 G HA3 0.496 4.485 3.960 0.049 0.000 0.336 329 G C -0.490 174.418 174.900 0.014 0.000 1.491 329 G CA -0.462 44.644 45.100 0.011 0.000 1.008 329 G HN 0.478 nan 8.290 nan 0.000 0.515 330 K N 0.767 121.178 120.400 0.018 0.000 2.259 330 K HA 0.381 4.730 4.320 0.049 0.000 0.252 330 K C -0.364 176.251 176.600 0.024 0.000 0.936 330 K CA -0.865 55.435 56.287 0.021 0.000 0.810 330 K CB 2.628 35.144 32.500 0.026 0.000 1.143 330 K HN 0.099 nan 8.250 nan 0.000 0.427 331 D N 0.642 121.055 120.400 0.022 0.000 2.349 331 D HA 0.054 4.723 4.640 0.049 0.000 0.215 331 D C 0.377 176.692 176.300 0.025 0.000 1.016 331 D CA 0.470 54.483 54.000 0.021 0.000 0.870 331 D CB 0.565 41.374 40.800 0.016 0.000 0.917 331 D HN 0.268 nan 8.370 nan 0.000 0.524 332 I N 1.725 122.314 120.570 0.032 0.000 2.336 332 I HA 0.208 4.408 4.170 0.049 0.000 0.292 332 I C 0.822 176.981 176.117 0.071 0.000 0.991 332 I CA -0.687 60.637 61.300 0.039 0.000 1.227 332 I CB 1.182 39.202 38.000 0.033 0.000 1.366 332 I HN -0.360 nan 8.210 nan 0.000 0.466 333 R N 4.502 125.058 120.500 0.094 0.000 2.694 333 R HA 0.317 4.687 4.340 0.049 0.000 0.268 333 R C -0.276 176.188 176.300 0.272 0.000 1.061 333 R CA -0.180 56.026 56.100 0.177 0.000 1.133 333 R CB 0.791 31.229 30.300 0.230 0.000 1.020 333 R HN 0.553 nan 8.270 nan 0.000 0.475 334 E N 1.027 121.380 120.200 0.255 0.000 2.317 334 E HA 0.265 4.644 4.350 0.049 0.000 0.270 334 E C -1.139 175.469 176.600 0.013 0.000 0.885 334 E CA -0.933 55.591 56.400 0.207 0.000 0.760 334 E CB 2.659 32.411 29.700 0.087 0.000 1.227 334 E HN 0.258 nan 8.360 nan 0.000 0.434 335 K N 2.438 122.658 120.400 -0.300 0.000 2.604 335 K HA 0.156 4.505 4.320 0.049 0.000 0.247 335 K C -1.218 175.153 176.600 -0.382 0.000 0.956 335 K CA -0.481 55.413 56.287 -0.654 0.000 0.896 335 K CB 0.236 31.724 32.500 -1.686 0.000 1.131 335 K HN 0.677 nan 8.250 nan 0.000 0.440 336 N N 3.158 121.721 118.700 -0.229 0.000 2.629 336 N HA -0.246 4.523 4.740 0.049 0.000 0.278 336 N C 0.579 176.040 175.510 -0.082 0.000 1.102 336 N CA 1.123 54.093 53.050 -0.132 0.000 0.759 336 N CB -1.627 36.783 38.487 -0.128 0.000 0.911 336 N HN 0.957 nan 8.380 nan 0.000 0.553 337 G N -0.998 107.771 108.800 -0.053 0.000 2.249 337 G HA2 -0.419 3.570 3.960 0.049 0.000 0.269 337 G HA3 -0.419 3.570 3.960 0.049 0.000 0.269 337 G C -0.125 174.784 174.900 0.015 0.000 0.979 337 G CA 0.945 46.037 45.100 -0.013 0.000 0.644 337 G HN 0.786 nan 8.290 nan 0.000 0.546 338 Q N 0.937 120.746 119.800 0.015 0.000 2.322 338 Q HA 0.369 4.739 4.340 0.049 0.000 0.256 338 Q C -2.331 173.790 176.000 0.202 0.000 0.960 338 Q CA -1.694 54.159 55.803 0.083 0.000 0.934 338 Q CB 1.565 30.349 28.738 0.077 0.000 1.200 338 Q HN 0.256 nan 8.270 nan 0.000 0.435 339 P HA 0.011 nan 4.420 nan 0.000 0.272 339 P C -0.338 177.116 177.300 0.256 0.000 1.223 339 P CA -0.603 62.622 63.100 0.208 0.000 0.784 339 P CB 0.505 32.267 31.700 0.104 0.000 0.923 340 L N 3.542 124.862 121.223 0.162 0.000 2.462 340 L HA 0.202 4.572 4.340 0.049 0.000 0.283 340 L C 0.331 177.115 176.870 -0.143 0.000 1.166 340 L CA 0.420 55.119 54.840 -0.235 0.000 0.964 340 L CB -1.318 40.474 42.059 -0.446 0.000 1.294 340 L HN 0.249 nan 8.230 nan 0.000 0.449 341 R N 5.078 125.524 120.500 -0.091 0.000 2.534 341 R HA 0.740 5.110 4.340 0.049 0.000 0.301 341 R C -1.503 174.759 176.300 -0.063 0.000 0.961 341 R CA -0.664 55.405 56.100 -0.051 0.000 0.871 341 R CB 1.142 31.442 30.300 -0.001 0.000 1.170 341 R HN 0.624 nan 8.270 nan 0.000 0.446 342 I N 2.675 123.213 120.570 -0.054 0.000 2.569 342 I HA 0.256 4.455 4.170 0.049 0.000 0.290 342 I C -0.609 175.504 176.117 -0.007 0.000 1.088 342 I CA -0.749 60.525 61.300 -0.043 0.000 1.047 342 I CB 2.486 40.443 38.000 -0.072 0.000 1.237 342 I HN 0.518 nan 8.210 nan 0.000 0.421 343 E N 5.111 125.321 120.200 0.017 0.000 2.200 343 E HA 0.389 4.768 4.350 0.049 0.000 0.283 343 E C -1.150 175.493 176.600 0.072 0.000 1.015 343 E CA -0.812 55.617 56.400 0.048 0.000 0.819 343 E CB 2.237 31.968 29.700 0.052 0.000 1.081 343 E HN 0.241 nan 8.360 nan 0.000 0.397 344 L N 3.266 124.545 121.223 0.093 0.000 2.276 344 L HA 0.273 4.642 4.340 0.049 0.000 0.286 344 L C -0.691 176.331 176.870 0.253 0.000 1.024 344 L CA -0.306 54.602 54.840 0.114 0.000 0.826 344 L CB 1.067 43.156 42.059 0.049 0.000 1.211 344 L HN 0.388 nan 8.230 nan 0.000 0.422 345 S N 4.664 120.488 115.700 0.206 0.000 2.525 345 S HA 0.895 5.394 4.470 0.049 0.000 0.290 345 S C -0.506 174.289 174.600 0.325 0.000 1.152 345 S CA -0.595 57.711 58.200 0.178 0.000 1.072 345 S CB 1.170 64.407 63.200 0.062 0.000 1.027 345 S HN 0.600 nan 8.310 nan 0.000 0.500 346 F N -1.620 118.394 119.950 0.106 0.000 2.741 346 F HA 0.627 5.184 4.527 0.049 0.000 0.313 346 F C -1.355 174.447 175.800 0.003 0.000 1.153 346 F CA -1.750 56.328 58.000 0.130 0.000 0.931 346 F CB 0.633 39.773 39.000 0.233 0.000 1.335 346 F HN 0.418 nan 8.300 nan 0.000 0.460 347 I N 2.471 123.060 120.570 0.032 0.000 2.494 347 I HA 0.177 4.376 4.170 0.049 0.000 0.289 347 I C 1.471 177.545 176.117 -0.070 0.000 1.106 347 I CA 0.380 61.615 61.300 -0.108 0.000 1.369 347 I CB 0.716 38.657 38.000 -0.097 0.000 1.410 347 I HN 1.012 nan 8.210 nan 0.000 0.523 348 G N 3.907 112.562 108.800 -0.241 0.000 2.448 348 G HA2 -0.229 3.760 3.960 0.049 0.000 0.219 348 G HA3 -0.229 3.760 3.960 0.049 0.000 0.219 348 G C 1.400 176.297 174.900 -0.005 0.000 1.127 348 G CA 1.195 46.190 45.100 -0.174 0.000 0.766 348 G HN 0.664 nan 8.290 nan 0.000 0.552 349 T N -2.567 111.966 114.554 -0.036 0.000 3.107 349 T HA 0.127 4.506 4.350 0.049 0.000 0.249 349 T C 0.569 175.258 174.700 -0.020 0.000 1.096 349 T CA 0.045 62.129 62.100 -0.026 0.000 1.012 349 T CB 0.373 69.212 68.868 -0.048 0.000 0.977 349 T HN 0.084 nan 8.240 nan 0.000 0.527 350 D N 1.489 121.886 120.400 -0.005 0.000 2.393 350 D HA 0.490 5.159 4.640 0.049 0.000 0.232 350 D C 1.336 177.620 176.300 -0.028 0.000 1.192 350 D CA -0.109 53.872 54.000 -0.032 0.000 0.882 350 D CB 1.224 41.995 40.800 -0.048 0.000 1.038 350 D HN 0.214 nan 8.370 nan 0.000 0.499 351 A N 4.238 127.030 122.820 -0.046 0.000 1.940 351 A HA -0.214 4.136 4.320 0.049 0.000 0.219 351 A C 1.899 179.426 177.584 -0.094 0.000 1.176 351 A CA 0.968 52.973 52.037 -0.053 0.000 0.631 351 A CB -0.318 18.650 19.000 -0.054 0.000 0.814 351 A HN 0.585 nan 8.150 nan 0.000 0.446 352 L N -0.173 120.976 121.223 -0.123 0.000 2.072 352 L HA -0.047 4.322 4.340 0.049 0.000 0.205 352 L C 2.517 179.240 176.870 -0.245 0.000 1.079 352 L CA 2.519 57.262 54.840 -0.161 0.000 0.752 352 L CB -0.806 41.156 42.059 -0.161 0.000 0.906 352 L HN 0.288 nan 8.230 nan 0.000 0.436 353 S N -0.363 115.159 115.700 -0.297 0.000 2.370 353 S HA -0.245 4.254 4.470 0.049 0.000 0.226 353 S C 1.971 176.263 174.600 -0.513 0.000 1.033 353 S CA 1.645 59.530 58.200 -0.525 0.000 1.011 353 S CB -0.342 62.617 63.200 -0.401 0.000 0.852 353 S HN 0.454 nan 8.310 nan 0.000 0.457 354 K N 1.318 121.537 120.400 -0.302 0.000 2.057 354 K HA -0.115 4.234 4.320 0.049 0.000 0.206 354 K C 2.389 178.807 176.600 -0.303 0.000 1.050 354 K CA 1.572 57.636 56.287 -0.372 0.000 0.935 354 K CB -0.240 32.253 32.500 -0.012 0.000 0.715 354 K HN 0.475 nan 8.250 nan 0.000 0.439 355 S N 0.584 116.167 115.700 -0.194 0.000 2.368 355 S HA -0.163 4.337 4.470 0.049 0.000 0.224 355 S C 2.081 176.602 174.600 -0.130 0.000 1.029 355 S CA 1.193 59.313 58.200 -0.133 0.000 0.988 355 S CB -0.352 62.790 63.200 -0.096 0.000 0.838 355 S HN 0.276 nan 8.310 nan 0.000 0.462 356 M N 1.844 121.353 119.600 -0.153 0.000 2.117 356 M HA 0.000 4.510 4.480 0.049 0.000 0.262 356 M C 2.783 179.101 176.300 0.031 0.000 1.065 356 M CA 1.580 56.850 55.300 -0.050 0.000 1.114 356 M CB -0.832 31.741 32.600 -0.044 0.000 1.361 356 M HN 0.541 nan 8.290 nan 0.000 0.408 357 A N 0.217 123.007 122.820 -0.051 0.000 1.908 357 A HA -0.171 4.178 4.320 0.049 0.000 0.218 357 A C 2.061 179.566 177.584 -0.132 0.000 1.181 357 A CA 1.588 53.556 52.037 -0.114 0.000 0.627 357 A CB -0.578 18.047 19.000 -0.625 0.000 0.818 357 A HN 0.429 nan 8.150 nan 0.000 0.445 358 E N -0.169 119.943 120.200 -0.147 0.000 2.077 358 E HA -0.155 4.225 4.350 0.049 0.000 0.193 358 E C 2.002 178.568 176.600 -0.056 0.000 0.989 358 E CA 1.115 57.464 56.400 -0.084 0.000 0.800 358 E CB -0.373 29.283 29.700 -0.073 0.000 0.746 358 E HN 0.742 nan 8.360 nan 0.000 0.452 359 I N 0.860 121.397 120.570 -0.055 0.000 2.179 359 I HA -0.279 3.921 4.170 0.049 0.000 0.242 359 I C 2.453 178.543 176.117 -0.044 0.000 1.088 359 I CA 0.974 62.246 61.300 -0.047 0.000 1.357 359 I CB -0.234 37.736 38.000 -0.050 0.000 1.051 359 I HN 0.040 nan 8.210 nan 0.000 0.409 360 I N 0.201 120.745 120.570 -0.043 0.000 2.179 360 I HA -0.341 3.858 4.170 0.049 0.000 0.242 360 I C 2.718 178.807 176.117 -0.046 0.000 1.088 360 I CA 1.454 62.723 61.300 -0.052 0.000 1.357 360 I CB -0.428 37.524 38.000 -0.081 0.000 1.051 360 I HN 0.349 nan 8.210 nan 0.000 0.409 361 Q N 1.162 120.936 119.800 -0.044 0.000 2.096 361 Q HA -0.261 4.109 4.340 0.049 0.000 0.204 361 Q C 2.304 178.292 176.000 -0.021 0.000 0.982 361 Q CA 2.124 57.910 55.803 -0.030 0.000 0.850 361 Q CB -0.123 28.603 28.738 -0.020 0.000 0.901 361 Q HN 0.548 nan 8.270 nan 0.000 0.422 362 A N 1.043 123.850 122.820 -0.022 0.000 1.877 362 A HA -0.214 4.135 4.320 0.049 0.000 0.216 362 A C 1.682 179.263 177.584 -0.006 0.000 1.186 362 A CA 1.803 53.831 52.037 -0.014 0.000 0.620 362 A CB -0.646 18.343 19.000 -0.018 0.000 0.822 362 A HN 0.495 nan 8.150 nan 0.000 0.443 363 D N -0.309 120.086 120.400 -0.009 0.000 2.117 363 D HA -0.128 4.541 4.640 0.049 0.000 0.197 363 D C 2.009 178.325 176.300 0.026 0.000 0.987 363 D CA 1.253 55.263 54.000 0.016 0.000 0.829 363 D CB -0.315 40.490 40.800 0.008 0.000 0.961 363 D HN 0.325 nan 8.370 nan 0.000 0.460 364 M N -0.060 119.541 119.600 0.000 0.000 2.254 364 M HA -0.023 4.487 4.480 0.049 0.000 0.265 364 M C 2.148 178.442 176.300 -0.010 0.000 1.066 364 M CA 0.725 56.020 55.300 -0.009 0.000 1.123 364 M CB -0.803 31.776 32.600 -0.035 0.000 1.388 364 M HN -0.002 nan 8.290 nan 0.000 0.425 365 R N 0.522 121.018 120.500 -0.007 0.000 2.127 365 R HA -0.161 4.208 4.340 0.049 0.000 0.238 365 R C 2.054 178.358 176.300 0.006 0.000 1.134 365 R CA 1.224 57.322 56.100 -0.003 0.000 0.975 365 R CB 0.071 30.370 30.300 -0.001 0.000 0.865 365 R HN 0.352 nan 8.270 nan 0.000 0.447 366 Q N 0.287 120.097 119.800 0.017 0.000 2.364 366 Q HA -0.125 4.245 4.340 0.049 0.000 0.207 366 Q C 1.548 177.562 176.000 0.022 0.000 0.970 366 Q CA 1.058 56.877 55.803 0.026 0.000 0.888 366 Q CB 0.111 28.878 28.738 0.049 0.000 0.951 366 Q HN 0.552 nan 8.270 nan 0.000 0.469 367 I N -5.132 115.447 120.570 0.015 0.000 3.941 367 I HA 0.465 4.664 4.170 0.049 0.000 0.335 367 I C 0.915 177.028 176.117 -0.006 0.000 1.402 367 I CA 0.343 61.645 61.300 0.003 0.000 1.112 367 I CB 0.599 38.600 38.000 0.002 0.000 1.043 367 I HN 0.015 nan 8.210 nan 0.000 0.395 368 G N 0.780 109.577 108.800 -0.005 0.000 2.132 368 G HA2 -0.031 3.958 3.960 0.049 0.000 0.234 368 G HA3 -0.031 3.958 3.960 0.049 0.000 0.234 368 G C 0.211 175.094 174.900 -0.028 0.000 0.989 368 G CA -0.156 44.943 45.100 -0.002 0.000 0.676 368 G HN 0.978 nan 8.290 nan 0.000 0.522 369 A N 0.010 122.799 122.820 -0.053 0.000 2.304 369 A HA 0.643 4.993 4.320 0.049 0.000 0.323 369 A C -0.313 177.237 177.584 -0.057 0.000 1.195 369 A CA -0.101 51.882 52.037 -0.091 0.000 0.826 369 A CB 1.070 19.996 19.000 -0.123 0.000 1.184 369 A HN 0.295 nan 8.150 nan 0.000 0.496 370 D N 2.822 123.191 120.400 -0.053 0.000 2.428 370 D HA 0.369 5.038 4.640 0.049 0.000 0.221 370 D C -0.686 175.596 176.300 -0.029 0.000 1.123 370 D CA 0.106 54.090 54.000 -0.027 0.000 0.869 370 D CB 0.802 41.596 40.800 -0.010 0.000 1.032 370 D HN 0.131 nan 8.370 nan 0.000 0.506 371 V N 3.296 123.197 119.914 -0.022 0.000 2.406 371 V HA 0.253 4.402 4.120 0.049 0.000 0.272 371 V C 0.558 176.660 176.094 0.014 0.000 1.043 371 V CA -0.486 61.806 62.300 -0.014 0.000 0.915 371 V CB 1.397 33.206 31.823 -0.024 0.000 0.988 371 V HN 0.476 nan 8.190 nan 0.000 0.466 372 S N 5.684 121.401 115.700 0.028 0.000 2.457 372 S HA 0.531 5.030 4.470 0.049 0.000 0.289 372 S C -0.391 174.267 174.600 0.096 0.000 1.163 372 S CA -0.482 57.749 58.200 0.051 0.000 1.078 372 S CB 0.851 64.075 63.200 0.040 0.000 0.987 372 S HN 0.420 nan 8.310 nan 0.000 0.482 373 L N 4.798 126.104 121.223 0.138 0.000 2.281 373 L HA 0.418 4.788 4.340 0.049 0.000 0.285 373 L C -0.305 176.694 176.870 0.214 0.000 1.074 373 L CA 0.106 55.119 54.840 0.289 0.000 0.817 373 L CB 0.661 42.926 42.059 0.343 0.000 1.168 373 L HN 0.542 nan 8.230 nan 0.000 0.434 374 I N 3.960 124.625 120.570 0.158 0.000 2.460 374 I HA 0.304 4.504 4.170 0.049 0.000 0.277 374 I C 0.721 176.560 176.117 -0.463 0.000 1.057 374 I CA -0.310 60.946 61.300 -0.074 0.000 1.179 374 I CB 0.890 38.873 38.000 -0.029 0.000 1.329 374 I HN 0.583 nan 8.210 nan 0.000 0.478 375 G N 5.364 113.766 108.800 -0.663 0.000 2.320 375 G HA2 0.575 4.565 3.960 0.049 0.000 0.300 375 G HA3 0.575 4.565 3.960 0.049 0.000 0.300 375 G C -0.229 174.375 174.900 -0.493 0.000 1.126 375 G CA -0.156 44.288 45.100 -1.093 0.000 0.896 375 G HN 0.578 nan 8.290 nan 0.000 0.436 376 E N 1.187 121.126 120.200 -0.436 0.000 2.433 376 E HA 0.201 4.580 4.350 0.049 0.000 0.273 376 E C -0.526 175.942 176.600 -0.220 0.000 0.950 376 E CA -0.873 55.377 56.400 -0.251 0.000 0.796 376 E CB 2.168 31.750 29.700 -0.196 0.000 1.330 376 E HN 0.549 nan 8.360 nan 0.000 0.455 377 E N 1.105 121.205 120.200 -0.168 0.000 2.492 377 E HA -0.161 4.219 4.350 0.049 0.000 0.266 377 E C 0.717 177.181 176.600 -0.227 0.000 1.047 377 E CA 0.484 56.785 56.400 -0.164 0.000 0.968 377 E CB 0.581 30.207 29.700 -0.123 0.000 0.960 377 E HN 0.537 nan 8.360 nan 0.000 0.452 378 E N 1.496 121.534 120.200 -0.270 0.000 2.070 378 E HA -0.271 4.109 4.350 0.049 0.000 0.197 378 E C 1.868 178.123 176.600 -0.576 0.000 1.004 378 E CA 1.629 57.736 56.400 -0.488 0.000 0.805 378 E CB -0.048 29.403 29.700 -0.415 0.000 0.744 378 E HN 0.457 nan 8.360 nan 0.000 0.451 379 S N -0.582 114.950 115.700 -0.280 0.000 2.382 379 S HA -0.127 4.372 4.470 0.049 0.000 0.228 379 S C 2.056 176.598 174.600 -0.096 0.000 1.027 379 S CA 1.604 59.724 58.200 -0.132 0.000 0.991 379 S CB -0.174 62.998 63.200 -0.046 0.000 0.823 379 S HN 0.248 nan 8.310 nan 0.000 0.469 380 S N 1.533 117.163 115.700 -0.117 0.000 2.383 380 S HA 0.015 4.515 4.470 0.049 0.000 0.227 380 S C 1.759 176.319 174.600 -0.067 0.000 1.026 380 S CA 1.113 59.268 58.200 -0.074 0.000 0.981 380 S CB -0.326 62.824 63.200 -0.083 0.000 0.818 380 S HN 0.465 nan 8.310 nan 0.000 0.472 381 I N 0.760 121.240 120.570 -0.149 0.000 2.252 381 I HA -0.109 4.090 4.170 0.049 0.000 0.245 381 I C 2.036 178.170 176.117 0.028 0.000 1.102 381 I CA 1.336 62.572 61.300 -0.105 0.000 1.385 381 I CB -1.502 36.386 38.000 -0.186 0.000 1.064 381 I HN 0.258 nan 8.210 nan 0.000 0.414 382 Y N 1.352 121.634 120.300 -0.030 0.000 2.224 382 Y HA -0.096 4.483 4.550 0.048 0.000 0.289 382 Y C 2.738 178.628 175.900 -0.017 0.000 1.146 382 Y CA 0.615 58.693 58.100 -0.037 0.000 1.182 382 Y CB -1.492 36.939 38.460 -0.048 0.000 0.983 382 Y HN 0.128 nan 8.280 nan 0.000 0.524 383 A N 0.414 123.322 122.820 0.146 0.000 1.902 383 A HA -0.223 4.127 4.320 0.049 0.000 0.217 383 A C 2.387 180.037 177.584 0.109 0.000 1.181 383 A CA 1.738 53.832 52.037 0.095 0.000 0.623 383 A CB -0.609 18.424 19.000 0.055 0.000 0.818 383 A HN 0.408 nan 8.150 nan 0.000 0.443 384 R N -0.713 119.858 120.500 0.118 0.000 2.081 384 R HA -0.160 4.209 4.340 0.049 0.000 0.235 384 R C 2.506 178.992 176.300 0.310 0.000 1.131 384 R CA 1.693 57.906 56.100 0.188 0.000 0.960 384 R CB -0.367 30.041 30.300 0.181 0.000 0.856 384 R HN 0.688 nan 8.270 nan 0.000 0.436 385 Q N 0.146 120.064 119.800 0.197 0.000 2.061 385 Q HA -0.150 4.219 4.340 0.049 0.000 0.204 385 Q C 2.138 178.273 176.000 0.225 0.000 0.984 385 Q CA 1.466 57.359 55.803 0.149 0.000 0.846 385 Q CB -0.046 28.686 28.738 -0.009 0.000 0.902 385 Q HN 0.313 nan 8.270 nan 0.000 0.421 386 R N 0.015 120.604 120.500 0.149 0.000 2.148 386 R HA -0.098 4.271 4.340 0.049 0.000 0.227 386 R C 0.905 177.288 176.300 0.139 0.000 1.103 386 R CA 1.224 57.399 56.100 0.125 0.000 0.983 386 R CB 0.086 30.430 30.300 0.073 0.000 0.874 386 R HN 0.169 nan 8.270 nan 0.000 0.451 387 D N -1.455 119.029 120.400 0.142 0.000 2.469 387 D HA 0.105 4.774 4.640 0.049 0.000 0.213 387 D C 0.493 176.833 176.300 0.067 0.000 1.135 387 D CA 0.505 54.562 54.000 0.096 0.000 0.834 387 D CB 0.725 41.563 40.800 0.062 0.000 1.009 387 D HN 0.243 nan 8.370 nan 0.000 0.507 388 G N 1.600 110.461 108.800 0.102 0.000 2.160 388 G HA2 -0.333 3.656 3.960 0.049 0.000 0.251 388 G HA3 -0.333 3.656 3.960 0.049 0.000 0.251 388 G C 0.381 175.080 174.900 -0.334 0.000 1.008 388 G CA -0.080 44.893 45.100 -0.212 0.000 0.724 388 G HN 0.373 nan 8.290 nan 0.000 0.514 389 R N -0.061 120.419 120.500 -0.033 0.000 4.496 389 R HA 0.493 4.862 4.340 0.049 0.000 0.211 389 R C -0.039 176.328 176.300 0.112 0.000 1.738 389 R CA 0.293 56.388 56.100 -0.008 0.000 1.528 389 R CB -0.460 29.867 30.300 0.045 0.000 1.414 389 R HN 0.606 nan 8.270 nan 0.000 0.812 390 F N -4.323 115.626 119.950 -0.002 0.000 2.693 390 F HA 0.572 5.127 4.527 0.047 0.000 0.309 390 F C 0.481 176.269 175.800 -0.019 0.000 1.129 390 F CA -1.332 56.664 58.000 -0.007 0.000 0.948 390 F CB 0.613 39.612 39.000 -0.001 0.000 1.315 390 F HN -0.017 nan 8.300 nan 0.000 0.447 391 G N 0.925 109.850 108.800 0.209 0.000 2.564 391 G HA2 0.332 4.321 3.960 0.049 0.000 0.212 391 G HA3 0.332 4.321 3.960 0.049 0.000 0.212 391 G C -0.070 174.971 174.900 0.234 0.000 1.199 391 G CA -0.052 45.114 45.100 0.110 0.000 0.832 391 G HN 0.496 nan 8.290 nan 0.000 0.565 392 M N -0.025 119.695 119.600 0.200 0.000 2.530 392 M HA 0.648 5.157 4.480 0.049 0.000 0.307 392 M C -1.644 174.645 176.300 -0.018 0.000 1.161 392 M CA -0.531 54.822 55.300 0.087 0.000 0.903 392 M CB 3.216 35.783 32.600 -0.054 0.000 1.711 392 M HN 0.117 nan 8.290 nan 0.000 0.451 393 I N 0.874 121.313 120.570 -0.217 0.000 2.752 393 I HA 0.470 4.669 4.170 0.049 0.000 0.295 393 I C -1.412 174.583 176.117 -0.203 0.000 1.219 393 I CA -0.558 60.576 61.300 -0.277 0.000 1.030 393 I CB 2.049 39.632 38.000 -0.695 0.000 1.259 393 I HN 0.541 nan 8.210 nan 0.000 0.423 394 F N 5.691 125.631 119.950 -0.015 0.000 2.506 394 F HA 0.298 4.855 4.527 0.051 0.000 0.351 394 F C 0.361 176.222 175.800 0.103 0.000 1.136 394 F CA 0.940 58.963 58.000 0.039 0.000 1.298 394 F CB 0.387 39.418 39.000 0.052 0.000 1.145 394 F HN 0.484 nan 8.300 nan 0.000 0.593 395 H N 2.114 121.300 119.070 0.194 0.000 2.960 395 H HA 0.650 5.235 4.556 0.048 0.000 0.323 395 H C -1.281 174.109 175.328 0.103 0.000 1.326 395 H CA -1.337 54.793 56.048 0.138 0.000 1.124 395 H CB 1.703 31.538 29.762 0.122 0.000 1.853 395 H HN 0.637 nan 8.280 nan 0.000 0.536 396 R N -0.011 120.364 120.500 -0.209 0.000 2.692 396 R HA 0.510 4.879 4.340 0.049 0.000 0.269 396 R C -0.901 175.099 176.300 -0.501 0.000 1.030 396 R CA -0.500 55.445 56.100 -0.258 0.000 0.882 396 R CB 1.137 31.410 30.300 -0.045 0.000 1.250 396 R HN 0.719 nan 8.270 nan 0.000 0.465 397 T N -2.422 111.776 114.554 -0.594 0.000 2.793 397 T HA 0.295 4.674 4.350 0.049 0.000 0.299 397 T C 0.095 174.724 174.700 -0.117 0.000 1.038 397 T CA -0.449 61.119 62.100 -0.886 0.000 0.948 397 T CB 0.556 68.840 68.868 -0.973 0.000 1.231 397 T HN 0.678 nan 8.240 nan 0.000 0.538 398 W N 0.186 121.380 121.300 -0.177 0.000 2.998 398 W HA 0.509 5.201 4.660 0.054 0.000 0.336 398 W C 1.303 177.839 176.519 0.028 0.000 1.112 398 W CA 0.058 57.340 57.345 -0.105 0.000 1.682 398 W CB -1.277 28.066 29.460 -0.194 0.000 1.065 398 W HN 1.386 nan 8.180 nan 0.000 0.570 399 G N 1.139 110.098 108.800 0.266 0.000 2.828 399 G HA2 0.095 4.084 3.960 0.049 0.000 0.463 399 G HA3 0.095 4.084 3.960 0.049 0.000 0.463 399 G C 0.017 175.083 174.900 0.276 0.000 1.394 399 G CA -0.638 44.593 45.100 0.217 0.000 0.862 399 G HN 0.458 nan 8.290 nan 0.000 0.540 400 A N 0.656 123.577 122.820 0.167 0.000 2.462 400 A HA 0.637 4.986 4.320 0.049 0.000 0.243 400 A C -0.545 177.007 177.584 -0.054 0.000 1.076 400 A CA 0.072 52.152 52.037 0.073 0.000 0.773 400 A CB 0.466 19.557 19.000 0.151 0.000 1.010 400 A HN 0.804 nan 8.150 nan 0.000 0.493 401 P HA 0.138 nan 4.420 nan 0.000 0.263 401 P C 0.018 177.226 177.300 -0.155 0.000 1.448 401 P CA 0.377 63.166 63.100 -0.518 0.000 0.983 401 P CB -0.083 30.927 31.700 -1.149 0.000 1.481 402 Y N -0.090 120.257 120.300 0.079 0.000 2.337 402 Y HA 0.011 4.589 4.550 0.048 0.000 0.293 402 Y C 0.842 176.789 175.900 0.079 0.000 1.123 402 Y CA 0.609 58.815 58.100 0.175 0.000 1.201 402 Y CB -0.453 38.296 38.460 0.482 0.000 1.011 402 Y HN -0.058 nan 8.280 nan 0.000 0.545 403 D N 0.989 121.507 120.400 0.197 0.000 2.249 403 D HA 0.131 4.800 4.640 0.049 0.000 0.246 403 D C -1.654 174.502 176.300 -0.241 0.000 1.114 403 D CA -1.952 52.006 54.000 -0.070 0.000 0.854 403 D CB 1.337 42.123 40.800 -0.024 0.000 1.132 403 D HN 0.095 nan 8.370 nan 0.000 0.461 404 P HA -0.030 nan 4.420 nan 0.000 0.252 404 P C 1.167 178.424 177.300 -0.073 0.000 1.211 404 P CA 0.415 63.121 63.100 -0.656 0.000 0.824 404 P CB 0.269 31.381 31.700 -0.980 0.000 1.077 405 H N 0.815 119.908 119.070 0.039 0.000 2.357 405 H HA 0.064 4.649 4.556 0.048 0.000 0.301 405 H C 1.502 176.980 175.328 0.251 0.000 1.082 405 H CA 1.705 57.868 56.048 0.192 0.000 1.342 405 H CB -0.765 29.072 29.762 0.124 0.000 1.389 405 H HN 0.014 nan 8.280 nan 0.000 0.511 406 A N 0.804 123.184 122.820 -0.733 0.000 1.930 406 A HA -0.024 4.325 4.320 0.049 0.000 0.215 406 A C 2.391 180.105 177.584 0.217 0.000 1.176 406 A CA 0.671 52.620 52.037 -0.146 0.000 0.632 406 A CB -1.142 17.968 19.000 0.184 0.000 0.819 406 A HN 0.410 nan 8.150 nan 0.000 0.445 407 F N 0.792 120.708 119.950 -0.057 0.000 2.134 407 F HA -0.163 4.392 4.527 0.046 0.000 0.299 407 F C 1.989 177.734 175.800 -0.092 0.000 1.097 407 F CA 1.682 59.438 58.000 -0.407 0.000 1.264 407 F CB -0.075 38.706 39.000 -0.366 0.000 1.001 407 F HN 0.123 nan 8.300 nan 0.000 0.479 408 L N -1.089 120.256 121.223 0.203 0.000 2.017 408 L HA -0.239 4.131 4.340 0.049 0.000 0.208 408 L C 2.718 179.663 176.870 0.125 0.000 1.073 408 L CA 1.558 56.520 54.840 0.202 0.000 0.745 408 L CB -1.237 41.024 42.059 0.337 0.000 0.894 408 L HN 0.190 nan 8.230 nan 0.000 0.432 409 S N -0.182 115.612 115.700 0.157 0.000 2.372 409 S HA -0.225 4.274 4.470 0.049 0.000 0.227 409 S C 2.058 176.726 174.600 0.113 0.000 1.044 409 S CA 2.083 60.381 58.200 0.163 0.000 1.050 409 S CB -0.138 63.196 63.200 0.223 0.000 0.901 409 S HN 0.431 nan 8.310 nan 0.000 0.447 410 S N 0.992 116.750 115.700 0.098 0.000 2.515 410 S HA 0.141 4.640 4.470 0.049 0.000 0.231 410 S C 1.565 176.145 174.600 -0.033 0.000 0.987 410 S CA 0.685 58.922 58.200 0.062 0.000 0.936 410 S CB -0.300 63.080 63.200 0.300 0.000 0.766 410 S HN 0.550 nan 8.310 nan 0.000 0.528 411 M N 0.704 120.293 119.600 -0.019 0.000 2.460 411 M HA -0.000 4.509 4.480 0.049 0.000 0.263 411 M C 1.836 178.259 176.300 0.205 0.000 1.071 411 M CA 1.022 56.364 55.300 0.071 0.000 1.096 411 M CB -0.255 32.393 32.600 0.080 0.000 1.408 411 M HN 0.167 nan 8.290 nan 0.000 0.463 412 R N -0.263 120.322 120.500 0.143 0.000 2.275 412 R HA 0.117 4.486 4.340 0.049 0.000 0.199 412 R C 0.166 176.479 176.300 0.023 0.000 0.989 412 R CA 0.154 56.357 56.100 0.173 0.000 1.016 412 R CB 0.076 30.434 30.300 0.097 0.000 0.918 412 R HN 0.132 nan 8.270 nan 0.000 0.473 413 V N 3.128 122.985 119.914 -0.095 0.000 2.427 413 V HA 0.085 4.234 4.120 0.049 0.000 0.268 413 V C -1.620 174.252 176.094 -0.370 0.000 1.046 413 V CA -1.183 60.950 62.300 -0.278 0.000 0.970 413 V CB 1.426 32.970 31.823 -0.465 0.000 1.001 413 V HN -0.022 nan 8.190 nan 0.000 0.476 414 P HA -0.091 nan 4.420 nan 0.000 0.220 414 P C 1.226 178.381 177.300 -0.242 0.000 1.148 414 P CA 0.975 63.456 63.100 -1.031 0.000 0.803 414 P CB 0.160 31.283 31.700 -0.961 0.000 0.782 415 S N -1.925 113.727 115.700 -0.080 0.000 2.768 415 S HA 0.095 4.594 4.470 0.049 0.000 0.246 415 S C 0.144 174.927 174.600 0.306 0.000 1.006 415 S CA -0.266 57.992 58.200 0.096 0.000 1.075 415 S CB -1.201 62.039 63.200 0.067 0.000 0.786 415 S HN 0.107 nan 8.310 nan 0.000 0.468 416 H N -0.431 118.677 119.070 0.064 0.000 2.747 416 H HA 0.727 5.312 4.556 0.048 0.000 0.371 416 H C 1.056 176.463 175.328 0.132 0.000 1.161 416 H CA -0.350 55.750 56.048 0.086 0.000 1.167 416 H CB 1.503 31.326 29.762 0.102 0.000 1.732 416 H HN 0.133 nan 8.280 nan 0.000 0.544 417 A N 1.382 124.273 122.820 0.118 0.000 1.940 417 A HA -0.181 4.169 4.320 0.049 0.000 0.219 417 A C 1.572 179.269 177.584 0.188 0.000 1.176 417 A CA 2.070 54.143 52.037 0.061 0.000 0.631 417 A CB -0.307 18.448 19.000 -0.409 0.000 0.814 417 A HN 0.808 nan 8.150 nan 0.000 0.446 418 D N -1.338 119.184 120.400 0.203 0.000 2.117 418 D HA -0.119 4.551 4.640 0.049 0.000 0.198 418 D C 1.721 178.147 176.300 0.209 0.000 0.982 418 D CA 1.344 55.493 54.000 0.248 0.000 0.828 418 D CB -0.333 40.588 40.800 0.202 0.000 0.967 418 D HN 0.512 nan 8.370 nan 0.000 0.464 419 F N 2.362 122.376 119.950 0.106 0.000 2.095 419 F HA -0.222 4.337 4.527 0.053 0.000 0.298 419 F C 2.490 178.330 175.800 0.066 0.000 1.104 419 F CA 1.432 59.474 58.000 0.071 0.000 1.232 419 F CB -0.069 38.965 39.000 0.055 0.000 0.987 419 F HN -0.206 nan 8.300 nan 0.000 0.475 420 Q N 0.522 120.524 119.800 0.336 0.000 2.084 420 Q HA -0.172 4.197 4.340 0.049 0.000 0.202 420 Q C 2.532 178.537 176.000 0.009 0.000 0.978 420 Q CA 1.605 57.522 55.803 0.190 0.000 0.844 420 Q CB -1.151 27.747 28.738 0.266 0.000 0.898 420 Q HN 0.559 nan 8.270 nan 0.000 0.426 421 A N 0.897 123.805 122.820 0.146 0.000 1.972 421 A HA -0.189 4.161 4.320 0.049 0.000 0.219 421 A C 1.868 179.384 177.584 -0.114 0.000 1.169 421 A CA 1.336 53.408 52.037 0.060 0.000 0.635 421 A CB -0.308 18.760 19.000 0.114 0.000 0.810 421 A HN 0.400 nan 8.150 nan 0.000 0.446 422 Q N -1.123 118.579 119.800 -0.163 0.000 2.360 422 Q HA 0.016 4.386 4.340 0.049 0.000 0.202 422 Q C 1.879 177.704 176.000 -0.292 0.000 0.915 422 Q CA 0.126 55.801 55.803 -0.213 0.000 0.943 422 Q CB 0.129 28.756 28.738 -0.186 0.000 1.064 422 Q HN 0.647 nan 8.270 nan 0.000 0.511 423 Q N 0.389 119.975 119.800 -0.357 0.000 2.226 423 Q HA -0.102 4.268 4.340 0.049 0.000 0.204 423 Q C 1.595 177.459 176.000 -0.228 0.000 0.975 423 Q CA 1.453 57.005 55.803 -0.419 0.000 0.866 423 Q CB -0.020 28.520 28.738 -0.330 0.000 0.915 423 Q HN 0.472 nan 8.270 nan 0.000 0.440 424 G N 0.155 108.853 108.800 -0.170 0.000 2.920 424 G HA2 0.088 4.078 3.960 0.049 0.000 0.208 424 G HA3 0.088 4.078 3.960 0.049 0.000 0.208 424 G C 0.528 175.373 174.900 -0.092 0.000 1.159 424 G CA -0.300 44.732 45.100 -0.112 0.000 0.784 424 G HN 0.183 nan 8.290 nan 0.000 0.535 425 L N 0.945 122.103 121.223 -0.107 0.000 2.367 425 L HA 0.310 4.679 4.340 0.049 0.000 0.275 425 L C 1.927 178.763 176.870 -0.056 0.000 1.129 425 L CA -0.575 54.220 54.840 -0.075 0.000 0.839 425 L CB 1.410 43.424 42.059 -0.076 0.000 1.133 425 L HN 0.123 nan 8.230 nan 0.000 0.453 426 A N 2.097 124.896 122.820 -0.034 0.000 1.986 426 A HA -0.176 4.173 4.320 0.049 0.000 0.220 426 A C 1.398 178.973 177.584 -0.016 0.000 1.171 426 A CA 1.598 53.622 52.037 -0.021 0.000 0.640 426 A CB -0.274 18.719 19.000 -0.011 0.000 0.811 426 A HN 0.821 nan 8.150 nan 0.000 0.451 427 D N -1.353 119.038 120.400 -0.015 0.000 2.328 427 D HA 0.063 4.732 4.640 0.049 0.000 0.221 427 D C 1.548 177.843 176.300 -0.008 0.000 1.072 427 D CA 0.349 54.347 54.000 -0.003 0.000 0.850 427 D CB 0.308 41.113 40.800 0.008 0.000 0.922 427 D HN 0.358 nan 8.370 nan 0.000 0.516 428 K N 1.665 122.044 120.400 -0.034 0.000 2.063 428 K HA -0.115 4.234 4.320 0.049 0.000 0.208 428 K C -1.000 175.594 176.600 -0.009 0.000 1.048 428 K CA 1.388 57.644 56.287 -0.051 0.000 0.928 428 K CB -1.074 31.344 32.500 -0.137 0.000 0.713 428 K HN 0.102 nan 8.250 nan 0.000 0.442 429 P HA -0.120 nan 4.420 nan 0.000 0.217 429 P C 1.242 178.562 177.300 0.034 0.000 1.150 429 P CA 0.867 63.986 63.100 0.031 0.000 0.832 429 P CB -0.019 31.698 31.700 0.028 0.000 0.787 430 L N -0.692 120.547 121.223 0.025 0.000 2.046 430 L HA -0.126 4.243 4.340 0.049 0.000 0.208 430 L C 2.135 179.027 176.870 0.035 0.000 1.077 430 L CA 1.738 56.595 54.840 0.028 0.000 0.747 430 L CB -1.203 40.870 42.059 0.024 0.000 0.896 430 L HN -0.131 nan 8.230 nan 0.000 0.432 431 I N -0.265 120.328 120.570 0.038 0.000 2.163 431 I HA -0.298 3.901 4.170 0.049 0.000 0.243 431 I C 2.004 178.159 176.117 0.064 0.000 1.085 431 I CA 1.515 62.847 61.300 0.054 0.000 1.347 431 I CB -0.524 37.510 38.000 0.056 0.000 1.044 431 I HN 0.278 nan 8.210 nan 0.000 0.408 432 D N 0.606 121.046 120.400 0.067 0.000 2.144 432 D HA -0.190 4.479 4.640 0.049 0.000 0.200 432 D C 2.065 178.407 176.300 0.069 0.000 0.978 432 D CA 1.030 55.081 54.000 0.086 0.000 0.833 432 D CB -0.179 40.689 40.800 0.113 0.000 0.961 432 D HN 0.263 nan 8.370 nan 0.000 0.470 433 K N 0.875 121.307 120.400 0.054 0.000 2.026 433 K HA -0.150 4.199 4.320 0.049 0.000 0.208 433 K C 1.803 178.422 176.600 0.032 0.000 1.048 433 K CA 1.197 57.509 56.287 0.042 0.000 0.929 433 K CB 0.105 32.625 32.500 0.034 0.000 0.713 433 K HN 0.085 nan 8.250 nan 0.000 0.439 434 E N 0.398 120.614 120.200 0.027 0.000 2.106 434 E HA -0.165 4.215 4.350 0.049 0.000 0.192 434 E C 2.079 178.672 176.600 -0.011 0.000 0.984 434 E CA 1.171 57.574 56.400 0.004 0.000 0.806 434 E CB -0.075 29.629 29.700 0.007 0.000 0.750 434 E HN 0.369 nan 8.360 nan 0.000 0.458 435 I N 0.897 121.483 120.570 0.028 0.000 2.179 435 I HA -0.206 3.993 4.170 0.049 0.000 0.242 435 I C 2.589 178.735 176.117 0.047 0.000 1.088 435 I CA 1.255 62.581 61.300 0.045 0.000 1.357 435 I CB -0.594 37.465 38.000 0.098 0.000 1.051 435 I HN 0.162 nan 8.210 nan 0.000 0.409 436 G N 0.374 109.209 108.800 0.059 0.000 2.446 436 G HA2 -0.255 3.734 3.960 0.049 0.000 0.217 436 G HA3 -0.255 3.734 3.960 0.049 0.000 0.217 436 G C 1.512 176.445 174.900 0.055 0.000 1.168 436 G CA 0.810 45.952 45.100 0.070 0.000 0.771 436 G HN 0.431 nan 8.290 nan 0.000 0.551 437 E N -0.364 119.848 120.200 0.021 0.000 2.077 437 E HA -0.079 4.300 4.350 0.049 0.000 0.193 437 E C 2.571 179.152 176.600 -0.032 0.000 0.989 437 E CA 0.873 57.275 56.400 0.003 0.000 0.800 437 E CB -0.286 29.407 29.700 -0.012 0.000 0.746 437 E HN 0.247 nan 8.360 nan 0.000 0.452 438 V N 1.356 121.210 119.914 -0.099 0.000 2.490 438 V HA -0.209 3.940 4.120 0.049 0.000 0.250 438 V C 1.969 178.023 176.094 -0.067 0.000 1.061 438 V CA 1.417 63.581 62.300 -0.226 0.000 1.064 438 V CB -0.190 31.295 31.823 -0.563 0.000 0.670 438 V HN 0.249 nan 8.190 nan 0.000 0.461 439 L N -0.158 121.075 121.223 0.016 0.000 2.376 439 L HA 0.057 4.426 4.340 0.049 0.000 0.219 439 L C 2.126 179.008 176.870 0.020 0.000 1.133 439 L CA 1.173 56.013 54.840 0.001 0.000 0.816 439 L CB -0.463 41.648 42.059 0.087 0.000 0.933 439 L HN 0.402 nan 8.230 nan 0.000 0.449 440 A N -1.626 121.249 122.820 0.091 0.000 2.470 440 A HA 0.135 4.485 4.320 0.049 0.000 0.251 440 A C 0.872 178.529 177.584 0.123 0.000 1.245 440 A CA -0.098 52.025 52.037 0.142 0.000 0.932 440 A CB 0.015 19.116 19.000 0.168 0.000 1.037 440 A HN 0.144 nan 8.150 nan 0.000 0.522 441 T N -0.846 113.708 114.554 -0.000 0.000 2.869 441 T HA 0.368 4.748 4.350 0.049 0.000 0.295 441 T C 0.544 175.109 174.700 -0.225 0.000 0.987 441 T CA 0.161 62.230 62.100 -0.052 0.000 1.109 441 T CB 0.277 69.066 68.868 -0.132 0.000 0.932 441 T HN 0.470 nan 8.240 nan 0.000 0.518 442 H N 1.257 120.314 119.070 -0.021 0.000 3.170 442 H HA 0.280 4.866 4.556 0.050 0.000 0.264 442 H C 0.064 175.376 175.328 -0.026 0.000 1.113 442 H CA -0.380 55.654 56.048 -0.023 0.000 1.194 442 H CB 0.471 30.247 29.762 0.023 0.000 1.553 442 H HN 0.490 nan 8.280 nan 0.000 0.538 443 D N 1.732 122.166 120.400 0.056 0.000 2.342 443 D HA -0.055 4.615 4.640 0.049 0.000 0.260 443 D C 0.823 177.108 176.300 -0.025 0.000 1.278 443 D CA 0.251 54.264 54.000 0.022 0.000 0.910 443 D CB 0.696 41.506 40.800 0.017 0.000 1.079 443 D HN 0.290 nan 8.370 nan 0.000 0.496 444 E N 2.214 122.407 120.200 -0.011 0.000 2.153 444 E HA -0.110 4.269 4.350 0.049 0.000 0.194 444 E C 1.539 178.141 176.600 0.004 0.000 0.988 444 E CA 0.954 57.344 56.400 -0.017 0.000 0.811 444 E CB -0.002 29.710 29.700 0.020 0.000 0.746 444 E HN 0.539 nan 8.360 nan 0.000 0.466 445 T N 1.295 115.855 114.554 0.011 0.000 2.737 445 T HA -0.180 4.200 4.350 0.049 0.000 0.265 445 T C 1.934 176.637 174.700 0.006 0.000 1.038 445 T CA 1.544 63.655 62.100 0.019 0.000 1.144 445 T CB -0.154 68.725 68.868 0.020 0.000 0.866 445 T HN 0.056 nan 8.240 nan 0.000 0.434 446 Q N 1.334 121.126 119.800 -0.014 0.000 2.124 446 Q HA -0.024 4.345 4.340 0.049 0.000 0.202 446 Q C 2.270 178.223 176.000 -0.078 0.000 0.977 446 Q CA 1.524 57.308 55.803 -0.033 0.000 0.850 446 Q CB -0.260 28.460 28.738 -0.030 0.000 0.901 446 Q HN 0.409 nan 8.270 nan 0.000 0.429 447 R N -0.431 119.997 120.500 -0.119 0.000 2.080 447 R HA -0.192 4.177 4.340 0.049 0.000 0.236 447 R C 2.276 178.492 176.300 -0.141 0.000 1.137 447 R CA 2.030 57.990 56.100 -0.232 0.000 0.943 447 R CB -0.140 29.968 30.300 -0.321 0.000 0.846 447 R HN 0.438 nan 8.270 nan 0.000 0.431 448 Q N -0.533 119.279 119.800 0.019 0.000 2.124 448 Q HA -0.141 4.229 4.340 0.049 0.000 0.202 448 Q C 2.112 178.180 176.000 0.114 0.000 0.977 448 Q CA 1.653 57.554 55.803 0.163 0.000 0.850 448 Q CB -0.120 28.728 28.738 0.182 0.000 0.901 448 Q HN 0.441 nan 8.270 nan 0.000 0.429 449 A N 0.726 123.573 122.820 0.045 0.000 1.902 449 A HA -0.162 4.187 4.320 0.049 0.000 0.217 449 A C 2.043 179.640 177.584 0.022 0.000 1.181 449 A CA 1.122 53.181 52.037 0.036 0.000 0.623 449 A CB -0.602 18.407 19.000 0.017 0.000 0.818 449 A HN 0.282 nan 8.150 nan 0.000 0.443 450 L N -2.346 118.850 121.223 -0.045 0.000 2.027 450 L HA -0.172 4.197 4.340 0.049 0.000 0.206 450 L C 2.586 179.424 176.870 -0.052 0.000 1.074 450 L CA 1.437 56.223 54.840 -0.089 0.000 0.745 450 L CB -0.657 41.282 42.059 -0.201 0.000 0.898 450 L HN 0.494 nan 8.230 nan 0.000 0.433 451 Y N -0.239 120.057 120.300 -0.007 0.000 2.165 451 Y HA -0.318 4.260 4.550 0.046 0.000 0.286 451 Y C 2.936 178.881 175.900 0.075 0.000 1.155 451 Y CA 1.269 59.386 58.100 0.029 0.000 1.164 451 Y CB -0.178 38.279 38.460 -0.004 0.000 0.978 451 Y HN 0.103 nan 8.280 nan 0.000 0.513 452 R N 0.595 121.230 120.500 0.225 0.000 2.083 452 R HA -0.234 4.136 4.340 0.049 0.000 0.237 452 R C 1.778 178.159 176.300 0.135 0.000 1.137 452 R CA 2.299 58.495 56.100 0.160 0.000 0.951 452 R CB -0.469 29.901 30.300 0.117 0.000 0.851 452 R HN 0.331 nan 8.270 nan 0.000 0.434 453 D N -0.232 120.232 120.400 0.107 0.000 2.117 453 D HA -0.109 4.560 4.640 0.049 0.000 0.198 453 D C 1.928 178.296 176.300 0.113 0.000 0.982 453 D CA 1.330 55.385 54.000 0.091 0.000 0.828 453 D CB 0.053 40.889 40.800 0.059 0.000 0.967 453 D HN 0.312 nan 8.370 nan 0.000 0.464 454 I N 0.009 120.659 120.570 0.133 0.000 2.142 454 I HA -0.240 3.959 4.170 0.049 0.000 0.240 454 I C 2.292 178.530 176.117 0.202 0.000 1.078 454 I CA 0.813 62.209 61.300 0.161 0.000 1.343 454 I CB -0.224 37.890 38.000 0.190 0.000 1.046 454 I HN 0.111 nan 8.210 nan 0.000 0.405 455 L N -0.207 121.157 121.223 0.236 0.000 2.141 455 L HA -0.158 4.212 4.340 0.049 0.000 0.209 455 L C 2.572 179.570 176.870 0.213 0.000 1.094 455 L CA 1.308 56.296 54.840 0.248 0.000 0.763 455 L CB -0.901 41.316 42.059 0.264 0.000 0.908 455 L HN 0.271 nan 8.230 nan 0.000 0.437 456 T N -0.736 113.921 114.554 0.172 0.000 2.777 456 T HA -0.127 4.253 4.350 0.049 0.000 0.266 456 T C 2.047 176.848 174.700 0.169 0.000 1.040 456 T CA 1.022 63.219 62.100 0.162 0.000 1.141 456 T CB -0.113 68.826 68.868 0.118 0.000 0.868 456 T HN 0.271 nan 8.240 nan 0.000 0.444 457 R N 0.596 121.179 120.500 0.139 0.000 2.081 457 R HA 0.043 4.413 4.340 0.049 0.000 0.235 457 R C 2.449 178.820 176.300 0.120 0.000 1.131 457 R CA 1.089 57.255 56.100 0.111 0.000 0.960 457 R CB -0.567 29.785 30.300 0.088 0.000 0.856 457 R HN 0.351 nan 8.270 nan 0.000 0.436 458 L N -0.868 120.454 121.223 0.165 0.000 2.083 458 L HA -0.192 4.177 4.340 0.049 0.000 0.209 458 L C 2.476 179.457 176.870 0.185 0.000 1.083 458 L CA 1.342 56.292 54.840 0.184 0.000 0.752 458 L CB -0.502 41.729 42.059 0.287 0.000 0.899 458 L HN 0.268 nan 8.230 nan 0.000 0.433 459 H N 0.344 119.484 119.070 0.117 0.000 2.299 459 H HA -0.167 4.409 4.556 0.034 0.000 0.302 459 H C 1.859 177.217 175.328 0.051 0.000 1.078 459 H CA 1.962 58.061 56.048 0.085 0.000 1.323 459 H CB 0.083 29.892 29.762 0.078 0.000 1.381 459 H HN 0.174 nan 8.280 nan 0.000 0.498 460 D N 0.268 120.724 120.400 0.094 0.000 2.218 460 D HA -0.107 4.562 4.640 0.049 0.000 0.204 460 D C 1.548 177.837 176.300 -0.019 0.000 0.976 460 D CA 0.878 54.895 54.000 0.029 0.000 0.853 460 D CB -0.078 40.773 40.800 0.085 0.000 0.939 460 D HN 0.540 nan 8.370 nan 0.000 0.481 461 E N -0.032 120.162 120.200 -0.010 0.000 2.502 461 E HA 0.161 4.540 4.350 0.049 0.000 0.194 461 E C 0.656 177.213 176.600 -0.072 0.000 1.062 461 E CA 0.318 56.699 56.400 -0.031 0.000 0.867 461 E CB 0.236 29.923 29.700 -0.021 0.000 0.888 461 E HN 0.138 nan 8.360 nan 0.000 0.510 462 A N 0.672 123.429 122.820 -0.105 0.000 2.745 462 A HA -0.209 4.140 4.320 0.049 0.000 0.296 462 A C 1.539 179.039 177.584 -0.139 0.000 1.500 462 A CA 0.679 52.635 52.037 -0.136 0.000 0.766 462 A CB -2.318 16.606 19.000 -0.127 0.000 1.030 462 A HN 0.165 nan 8.150 nan 0.000 0.489 463 V N -1.909 117.901 119.914 -0.174 0.000 2.427 463 V HA -0.102 4.047 4.120 0.049 0.000 0.248 463 V C 1.264 177.027 176.094 -0.551 0.000 1.051 463 V CA 2.109 64.181 62.300 -0.380 0.000 1.048 463 V CB -0.555 30.957 31.823 -0.518 0.000 0.666 463 V HN 0.665 nan 8.190 nan 0.000 0.456 464 Y N -1.666 118.616 120.300 -0.029 0.000 2.567 464 Y HA 0.640 5.218 4.550 0.046 0.000 0.333 464 Y C -0.137 175.715 175.900 -0.081 0.000 1.106 464 Y CA -1.090 56.986 58.100 -0.039 0.000 1.157 464 Y CB 1.539 39.977 38.460 -0.037 0.000 1.277 464 Y HN -0.150 nan 8.280 nan 0.000 0.490 465 L N 4.434 125.706 121.223 0.082 0.000 2.384 465 L HA 0.495 4.865 4.340 0.049 0.000 0.261 465 L C -2.798 174.056 176.870 -0.028 0.000 1.024 465 L CA -2.044 52.786 54.840 -0.017 0.000 0.899 465 L CB 1.183 43.203 42.059 -0.065 0.000 1.243 465 L HN 0.359 nan 8.230 nan 0.000 0.449 466 P HA 0.177 nan 4.420 nan 0.000 0.268 466 P C 0.236 177.448 177.300 -0.147 0.000 1.204 466 P CA 0.217 63.248 63.100 -0.116 0.000 0.768 466 P CB 1.332 32.956 31.700 -0.126 0.000 0.842 467 I N 0.017 120.483 120.570 -0.173 0.000 3.345 467 I HA 0.110 4.310 4.170 0.049 0.000 0.258 467 I C 0.826 176.801 176.117 -0.236 0.000 1.134 467 I CA 0.650 61.859 61.300 -0.152 0.000 1.457 467 I CB 0.244 38.206 38.000 -0.063 0.000 1.425 467 I HN 0.297 nan 8.210 nan 0.000 0.461 468 S N -0.939 114.588 115.700 -0.288 0.000 2.541 468 S HA 0.512 5.012 4.470 0.049 0.000 0.271 468 S C -1.738 172.627 174.600 -0.391 0.000 1.133 468 S CA -0.440 57.567 58.200 -0.323 0.000 0.876 468 S CB 0.941 64.045 63.200 -0.159 0.000 1.105 468 S HN 0.073 nan 8.310 nan 0.000 0.470 469 Y N 3.682 123.944 120.300 -0.064 0.000 2.404 469 Y HA 0.468 5.046 4.550 0.046 0.000 0.344 469 Y C 0.556 176.411 175.900 -0.075 0.000 0.970 469 Y CA -1.142 56.916 58.100 -0.070 0.000 1.180 469 Y CB 0.165 38.591 38.460 -0.057 0.000 1.138 469 Y HN 0.639 nan 8.280 nan 0.000 0.510 470 I N -0.754 119.844 120.570 0.047 0.000 2.783 470 I HA 0.780 4.980 4.170 0.049 0.000 0.312 470 I C 0.048 176.134 176.117 -0.052 0.000 0.988 470 I CA -0.438 60.844 61.300 -0.029 0.000 1.182 470 I CB 1.586 39.549 38.000 -0.061 0.000 1.368 470 I HN 0.281 nan 8.210 nan 0.000 0.511 471 S N 3.362 118.997 115.700 -0.108 0.000 2.648 471 S HA 0.635 5.134 4.470 0.049 0.000 0.305 471 S C -0.279 174.193 174.600 -0.213 0.000 1.094 471 S CA -0.792 57.310 58.200 -0.163 0.000 0.983 471 S CB 1.298 64.396 63.200 -0.171 0.000 1.101 471 S HN 0.538 nan 8.310 nan 0.000 0.514 472 M N 2.876 122.308 119.600 -0.280 0.000 2.242 472 M HA 0.401 4.910 4.480 0.049 0.000 0.344 472 M C -0.125 175.970 176.300 -0.342 0.000 1.140 472 M CA 0.246 55.354 55.300 -0.320 0.000 1.160 472 M CB 0.318 32.689 32.600 -0.381 0.000 1.491 472 M HN 0.739 nan 8.290 nan 0.000 0.459 473 M N 1.313 120.698 119.600 -0.358 0.000 2.619 473 M HA 0.881 5.390 4.480 0.049 0.000 0.297 473 M C -1.595 174.546 176.300 -0.265 0.000 1.229 473 M CA -0.968 54.126 55.300 -0.344 0.000 0.860 473 M CB 2.271 34.476 32.600 -0.658 0.000 1.741 473 M HN 0.269 nan 8.290 nan 0.000 0.462 474 V N 1.571 121.446 119.914 -0.065 0.000 2.808 474 V HA 0.702 4.852 4.120 0.049 0.000 0.308 474 V C -1.009 175.135 176.094 0.084 0.000 1.099 474 V CA -0.673 61.620 62.300 -0.012 0.000 0.920 474 V CB 2.262 34.092 31.823 0.011 0.000 1.014 474 V HN 0.786 nan 8.190 nan 0.000 0.425 475 V N 3.340 123.239 119.914 -0.026 0.000 2.577 475 V HA 0.853 5.002 4.120 0.049 0.000 0.303 475 V C -0.273 175.634 176.094 -0.312 0.000 1.042 475 V CA -0.311 61.841 62.300 -0.246 0.000 0.872 475 V CB 2.015 33.566 31.823 -0.454 0.000 0.998 475 V HN 1.066 nan 8.190 nan 0.000 0.423 476 S N 3.273 118.886 115.700 -0.144 0.000 2.579 476 S HA 0.637 5.137 4.470 0.049 0.000 0.272 476 S C -1.039 173.787 174.600 0.376 0.000 1.141 476 S CA -1.210 57.092 58.200 0.170 0.000 0.843 476 S CB 1.842 65.169 63.200 0.211 0.000 1.122 476 S HN 0.538 nan 8.310 nan 0.000 0.468 477 K N 1.407 122.033 120.400 0.376 0.000 2.401 477 K HA 0.196 4.545 4.320 0.049 0.000 0.278 477 K C -1.840 174.856 176.600 0.159 0.000 1.018 477 K CA -1.676 54.751 56.287 0.234 0.000 0.981 477 K CB 0.255 32.812 32.500 0.095 0.000 0.933 477 K HN 0.354 nan 8.250 nan 0.000 0.477 478 P HA -0.254 nan 4.420 nan 0.000 0.218 478 P C 0.810 178.104 177.300 -0.010 0.000 1.148 478 P CA 1.306 64.437 63.100 0.052 0.000 0.822 478 P CB 0.111 31.848 31.700 0.061 0.000 0.784 479 E N -0.058 120.150 120.200 0.012 0.000 2.267 479 E HA -0.168 4.211 4.350 0.049 0.000 0.197 479 E C 1.648 178.244 176.600 -0.007 0.000 0.998 479 E CA 0.940 57.338 56.400 -0.002 0.000 0.830 479 E CB -1.181 28.521 29.700 0.003 0.000 0.751 479 E HN 0.274 nan 8.360 nan 0.000 0.491 480 L N 0.737 121.963 121.223 0.004 0.000 2.376 480 L HA 0.057 4.427 4.340 0.049 0.000 0.219 480 L C 1.375 178.229 176.870 -0.028 0.000 1.133 480 L CA 0.553 55.398 54.840 0.008 0.000 0.816 480 L CB -0.882 41.203 42.059 0.044 0.000 0.933 480 L HN 0.443 nan 8.230 nan 0.000 0.449 481 G N 0.570 109.317 108.800 -0.089 0.000 2.693 481 G HA2 -0.343 3.646 3.960 0.049 0.000 0.226 481 G HA3 -0.343 3.646 3.960 0.049 0.000 0.226 481 G C -0.257 174.524 174.900 -0.198 0.000 1.354 481 G CA -0.131 44.882 45.100 -0.145 0.000 0.873 481 G HN 0.386 nan 8.290 nan 0.000 0.562 482 N N 0.101 118.714 118.700 -0.145 0.000 2.483 482 N HA 0.341 5.110 4.740 0.049 0.000 0.264 482 N C 0.394 175.883 175.510 -0.034 0.000 1.197 482 N CA -0.223 52.788 53.050 -0.065 0.000 0.927 482 N CB 0.159 38.628 38.487 -0.029 0.000 1.065 482 N HN 0.540 nan 8.380 nan 0.000 0.461 483 I N 5.548 126.114 120.570 -0.005 0.000 2.312 483 I HA 0.321 4.521 4.170 0.049 0.000 0.290 483 I C -1.978 173.999 176.117 -0.233 0.000 1.008 483 I CA -2.429 58.842 61.300 -0.049 0.000 1.226 483 I CB 0.620 38.656 38.000 0.059 0.000 1.371 483 I HN 0.492 nan 8.210 nan 0.000 0.468 484 P HA 0.240 nan 4.420 nan 0.000 0.274 484 P C -1.248 175.871 177.300 -0.302 0.000 1.246 484 P CA -0.069 62.870 63.100 -0.268 0.000 0.795 484 P CB 0.556 32.198 31.700 -0.097 0.000 1.006 485 Y N -0.535 119.834 120.300 0.115 0.000 2.420 485 Y HA 0.554 5.134 4.550 0.050 0.000 0.334 485 Y C 0.926 176.882 175.900 0.093 0.000 1.094 485 Y CA -1.239 56.947 58.100 0.144 0.000 1.126 485 Y CB 1.307 39.825 38.460 0.096 0.000 1.217 485 Y HN 0.361 nan 8.280 nan 0.000 0.462 486 A N 3.098 126.075 122.820 0.262 0.000 2.316 486 A HA 0.411 4.761 4.320 0.049 0.000 0.284 486 A C -1.795 175.898 177.584 0.181 0.000 1.115 486 A CA -1.500 50.633 52.037 0.159 0.000 0.812 486 A CB 0.310 19.376 19.000 0.110 0.000 1.064 486 A HN 0.647 nan 8.150 nan 0.000 0.489 487 P HA -0.081 nan 4.420 nan 0.000 0.216 487 P C 0.034 177.531 177.300 0.329 0.000 1.153 487 P CA 1.052 64.282 63.100 0.217 0.000 0.858 487 P CB -0.026 31.763 31.700 0.148 0.000 0.789 488 I N -0.453 120.278 120.570 0.268 0.000 2.352 488 I HA 0.113 4.313 4.170 0.049 0.000 0.290 488 I C 1.524 177.748 176.117 0.179 0.000 1.036 488 I CA -0.501 60.906 61.300 0.178 0.000 1.336 488 I CB 1.361 39.428 38.000 0.112 0.000 1.407 488 I HN -0.079 nan 8.210 nan 0.000 0.497 489 A N 4.397 127.328 122.820 0.185 0.000 1.978 489 A HA -0.168 4.181 4.320 0.049 0.000 0.220 489 A C 2.133 179.829 177.584 0.185 0.000 1.170 489 A CA 2.084 54.224 52.037 0.172 0.000 0.636 489 A CB -0.436 18.658 19.000 0.156 0.000 0.810 489 A HN 0.738 nan 8.150 nan 0.000 0.448 490 T N -0.441 114.234 114.554 0.201 0.000 3.129 490 T HA 0.114 4.494 4.350 0.049 0.000 0.251 490 T C 0.467 175.277 174.700 0.183 0.000 1.117 490 T CA 0.052 62.268 62.100 0.194 0.000 1.034 490 T CB -0.266 68.704 68.868 0.170 0.000 0.968 490 T HN 0.617 nan 8.240 nan 0.000 0.526 491 E N 0.542 120.835 120.200 0.156 0.000 2.283 491 E HA 0.492 4.871 4.350 0.049 0.000 0.267 491 E C -0.760 175.853 176.600 0.021 0.000 1.045 491 E CA -0.557 55.907 56.400 0.107 0.000 0.884 491 E CB 1.623 31.375 29.700 0.088 0.000 1.106 491 E HN 0.322 nan 8.360 nan 0.000 0.408 492 I N 2.926 123.414 120.570 -0.136 0.000 2.439 492 I HA 0.212 4.412 4.170 0.049 0.000 0.285 492 I C -2.151 173.637 176.117 -0.550 0.000 1.021 492 I CA -2.088 58.855 61.300 -0.596 0.000 1.091 492 I CB 1.931 39.269 38.000 -1.103 0.000 1.242 492 I HN 0.230 nan 8.210 nan 0.000 0.439 493 P HA 0.159 nan 4.420 nan 0.000 0.220 493 P C 0.606 177.809 177.300 -0.162 0.000 1.806 493 P CA -0.140 62.852 63.100 -0.180 0.000 0.976 493 P CB -0.270 31.381 31.700 -0.082 0.000 1.952 494 F N 1.827 121.742 119.950 -0.059 0.000 2.202 494 F HA -0.189 4.367 4.527 0.049 0.000 0.301 494 F C 2.376 178.332 175.800 0.261 0.000 1.082 494 F CA 1.165 59.141 58.000 -0.039 0.000 1.313 494 F CB -0.416 38.373 39.000 -0.352 0.000 1.024 494 F HN 0.186 nan 8.300 nan 0.000 0.495 495 E N 0.153 120.696 120.200 0.572 0.000 2.478 495 E HA -0.161 4.218 4.350 0.049 0.000 0.198 495 E C 1.189 177.895 176.600 0.175 0.000 1.046 495 E CA 0.765 57.391 56.400 0.376 0.000 0.870 495 E CB -0.446 29.340 29.700 0.144 0.000 0.818 495 E HN 0.438 nan 8.360 nan 0.000 0.527 496 Q N 0.429 120.309 119.800 0.134 0.000 2.356 496 Q HA 0.290 4.660 4.340 0.049 0.000 0.205 496 Q C 0.758 176.789 176.000 0.051 0.000 0.901 496 Q CA -0.101 55.742 55.803 0.066 0.000 0.938 496 Q CB 0.633 29.389 28.738 0.031 0.000 1.081 496 Q HN 0.376 nan 8.270 nan 0.000 0.517 497 I N 1.734 122.351 120.570 0.079 0.000 2.533 497 I HA 0.033 4.232 4.170 0.049 0.000 0.284 497 I C 0.624 176.780 176.117 0.066 0.000 1.109 497 I CA 0.435 61.772 61.300 0.061 0.000 1.412 497 I CB 0.357 38.406 38.000 0.083 0.000 1.396 497 I HN -0.244 nan 8.210 nan 0.000 0.543 498 K N 7.905 128.327 120.400 0.035 0.000 2.865 498 K HA 0.382 4.731 4.320 0.049 0.000 0.215 498 K C -2.476 174.131 176.600 0.012 0.000 1.120 498 K CA -1.271 55.033 56.287 0.028 0.000 1.037 498 K CB 0.995 33.508 32.500 0.021 0.000 1.233 498 K HN 0.315 nan 8.250 nan 0.000 0.577 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.102 63.100 0.003 0.000 0.800 499 P CB 0.000 31.706 31.700 0.009 0.000 0.726