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 1tqq_1_A DATA FIRST_RESID 1 DATA SEQUENCE ENLMQVYQQA RLSNPELRKS AADRDAAFEK INEARSPLLP QLGLGADYTY DATA SEQUENCE SNGYRDANGI NSNATSASLQ LTQSIFDMSK WRALTLQEKA AGIQDVTYQT DATA SEQUENCE DQQTLILNTA TAYFNVLNAI DVLSYTQAQK EAIYRQLDQT TQRFNVGLVA DATA SEQUENCE ITDVQNARAQ YDTVLANELT ARNNLDNAVE QLRQITGNYY PELAALNVEN DATA SEQUENCE FKTDKPQPVN ALLKEAEKRN LSLLQARLSQ DLAREQIRQA QDGHLPTLDL DATA SEQUENCE TASTGISDTS YSGSKTRGAA GTQYDDSNMG QNKVGLSFSL PIYQGGMVNS DATA SEQUENCE QVKQAQYNFV GASEQLESAH RSVVQTVRSS FNNINASISS INAYKQAVVS DATA SEQUENCE AQSSLDAMEA GYSVGTRTIV DVLDATTTLY NAKQELANAR YNYLINQLNI DATA SEQUENCE KSALGTLNEQ DLLALNNALS KPVSTNPE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.618 176.600 0.029 0.000 1.382 1 E CA 0.000 56.422 56.400 0.037 0.000 0.976 1 E CB 0.000 29.739 29.700 0.066 0.000 0.812 2 N N 1.562 120.265 118.700 0.004 0.000 2.327 2 N HA 0.091 4.831 4.740 -0.000 0.000 0.257 2 N C 1.052 176.411 175.510 -0.252 0.000 1.281 2 N CA 0.305 53.335 53.050 -0.034 0.000 0.942 2 N CB 0.502 38.975 38.487 -0.022 0.000 1.199 2 N HN 0.241 nan 8.380 nan 0.000 0.532 3 L N -0.815 120.082 121.223 -0.543 0.000 2.179 3 L HA 0.120 4.460 4.340 -0.000 0.000 0.208 3 L C 1.980 178.616 176.870 -0.390 0.000 1.096 3 L CA 1.343 55.642 54.840 -0.902 0.000 0.779 3 L CB -0.657 40.598 42.059 -1.340 0.000 0.922 3 L HN 0.662 nan 8.230 nan 0.000 0.443 4 M N -0.083 119.384 119.600 -0.222 0.000 2.065 4 M HA -0.251 4.229 4.480 -0.000 0.000 0.259 4 M C 2.261 178.538 176.300 -0.037 0.000 1.069 4 M CA 1.932 57.186 55.300 -0.076 0.000 1.110 4 M CB -0.903 31.668 32.600 -0.049 0.000 1.328 4 M HN 0.444 nan 8.290 nan 0.000 0.405 5 Q N -1.502 118.260 119.800 -0.064 0.000 2.170 5 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 5 Q C 2.055 178.040 176.000 -0.025 0.000 0.976 5 Q CA 1.583 57.369 55.803 -0.028 0.000 0.858 5 Q CB -0.337 28.397 28.738 -0.008 0.000 0.907 5 Q HN 0.374 nan 8.270 nan 0.000 0.433 6 V N -0.000 119.848 119.914 -0.110 0.000 2.379 6 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 6 V C 1.885 177.981 176.094 0.003 0.000 1.044 6 V CA 1.617 63.840 62.300 -0.130 0.000 1.036 6 V CB -0.548 31.090 31.823 -0.309 0.000 0.664 6 V HN 0.356 nan 8.190 nan 0.000 0.453 7 Y N 1.044 121.262 120.300 -0.136 0.000 2.242 7 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 7 Y C 2.628 178.503 175.900 -0.042 0.000 1.137 7 Y CA 1.370 59.416 58.100 -0.089 0.000 1.181 7 Y CB -0.198 38.192 38.460 -0.117 0.000 0.989 7 Y HN 0.266 nan 8.280 nan 0.000 0.527 8 Q N 0.094 119.811 119.800 -0.138 0.000 2.084 8 Q HA -0.257 4.083 4.340 -0.000 0.000 0.202 8 Q C 2.182 178.088 176.000 -0.156 0.000 0.978 8 Q CA 1.893 57.586 55.803 -0.185 0.000 0.844 8 Q CB -0.494 28.206 28.738 -0.063 0.000 0.898 8 Q HN 0.601 nan 8.270 nan 0.000 0.426 9 Q N -0.134 119.629 119.800 -0.062 0.000 2.230 9 Q HA -0.015 4.325 4.340 -0.000 0.000 0.202 9 Q C 1.885 177.867 176.000 -0.030 0.000 0.963 9 Q CA 1.270 57.069 55.803 -0.006 0.000 0.866 9 Q CB -0.005 28.795 28.738 0.104 0.000 0.931 9 Q HN 0.413 nan 8.270 nan 0.000 0.452 10 A N 0.236 123.013 122.820 -0.071 0.000 1.935 10 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 10 A C 1.927 179.421 177.584 -0.150 0.000 1.178 10 A CA 0.720 52.718 52.037 -0.065 0.000 0.640 10 A CB -0.263 18.738 19.000 0.003 0.000 0.825 10 A HN 0.154 nan 8.150 nan 0.000 0.447 11 R N -0.125 120.164 120.500 -0.351 0.000 2.083 11 R HA -0.167 4.173 4.340 -0.000 0.000 0.237 11 R C 2.008 178.221 176.300 -0.146 0.000 1.137 11 R CA 1.924 57.824 56.100 -0.333 0.000 0.951 11 R CB -0.566 29.408 30.300 -0.542 0.000 0.851 11 R HN 0.604 nan 8.270 nan 0.000 0.434 12 L N -0.671 120.481 121.223 -0.118 0.000 2.093 12 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 12 L C 2.236 179.087 176.870 -0.032 0.000 1.085 12 L CA 1.714 56.519 54.840 -0.059 0.000 0.755 12 L CB -0.447 41.583 42.059 -0.048 0.000 0.904 12 L HN 0.121 nan 8.230 nan 0.000 0.435 13 S N -2.088 113.595 115.700 -0.029 0.000 2.559 13 S HA 0.074 4.544 4.470 -0.000 0.000 0.226 13 S C 0.796 175.399 174.600 0.004 0.000 1.000 13 S CA -0.602 57.593 58.200 -0.008 0.000 0.948 13 S CB -0.505 62.692 63.200 -0.005 0.000 0.870 13 S HN 0.395 nan 8.310 nan 0.000 0.497 14 N N 3.741 122.443 118.700 0.003 0.000 2.438 14 N HA 0.101 4.841 4.740 -0.000 0.000 0.267 14 N C -1.484 174.043 175.510 0.029 0.000 1.222 14 N CA -0.921 52.141 53.050 0.019 0.000 0.930 14 N CB 1.348 39.848 38.487 0.022 0.000 1.083 14 N HN 0.200 nan 8.380 nan 0.000 0.476 15 P HA -0.069 nan 4.420 nan 0.000 0.219 15 P C 0.503 177.827 177.300 0.041 0.000 1.150 15 P CA 1.157 64.276 63.100 0.032 0.000 0.814 15 P CB 0.488 32.203 31.700 0.026 0.000 0.787 16 E N -0.224 120.000 120.200 0.040 0.000 2.150 16 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 16 E C 2.135 178.770 176.600 0.059 0.000 0.985 16 E CA 0.565 56.991 56.400 0.044 0.000 0.814 16 E CB -0.927 28.794 29.700 0.035 0.000 0.752 16 E HN 0.174 nan 8.360 nan 0.000 0.466 17 L N 0.116 121.376 121.223 0.061 0.000 2.072 17 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 17 L C 2.048 179.021 176.870 0.171 0.000 1.079 17 L CA 1.295 56.188 54.840 0.088 0.000 0.752 17 L CB -0.019 42.075 42.059 0.059 0.000 0.906 17 L HN 0.087 nan 8.230 nan 0.000 0.436 18 R N -0.349 120.219 120.500 0.114 0.000 2.189 18 R HA -0.177 4.163 4.340 -0.000 0.000 0.218 18 R C 2.126 178.478 176.300 0.086 0.000 1.074 18 R CA 0.970 57.130 56.100 0.101 0.000 0.991 18 R CB -0.031 30.302 30.300 0.056 0.000 0.883 18 R HN 0.158 nan 8.270 nan 0.000 0.457 19 K N 0.372 120.822 120.400 0.083 0.000 2.062 19 K HA 0.012 4.332 4.320 -0.000 0.000 0.205 19 K C 2.024 178.681 176.600 0.095 0.000 1.051 19 K CA 1.657 57.986 56.287 0.070 0.000 0.941 19 K CB -0.329 32.205 32.500 0.057 0.000 0.719 19 K HN -0.137 nan 8.250 nan 0.000 0.440 20 S N -0.195 115.595 115.700 0.150 0.000 2.370 20 S HA -0.100 4.370 4.470 -0.000 0.000 0.226 20 S C 1.907 176.650 174.600 0.238 0.000 1.033 20 S CA 1.206 59.542 58.200 0.227 0.000 1.011 20 S CB -0.578 62.799 63.200 0.295 0.000 0.852 20 S HN 0.537 nan 8.310 nan 0.000 0.457 21 A N 1.140 124.071 122.820 0.186 0.000 1.940 21 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 21 A C 2.342 179.871 177.584 -0.092 0.000 1.176 21 A CA 1.885 53.820 52.037 -0.171 0.000 0.631 21 A CB -1.125 17.800 19.000 -0.125 0.000 0.814 21 A HN 0.603 nan 8.150 nan 0.000 0.446 22 A N -0.119 122.697 122.820 -0.006 0.000 1.902 22 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 22 A C 1.762 179.356 177.584 0.016 0.000 1.181 22 A CA 1.913 53.952 52.037 0.002 0.000 0.623 22 A CB -0.568 18.441 19.000 0.016 0.000 0.818 22 A HN 0.440 nan 8.150 nan 0.000 0.443 23 D N -0.996 119.426 120.400 0.037 0.000 2.178 23 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 23 D C 2.085 178.414 176.300 0.049 0.000 0.974 23 D CA 0.903 54.930 54.000 0.044 0.000 0.841 23 D CB -0.244 40.592 40.800 0.060 0.000 0.953 23 D HN 0.453 nan 8.370 nan 0.000 0.478 24 R N 0.598 121.129 120.500 0.052 0.000 2.062 24 R HA -0.097 4.243 4.340 -0.000 0.000 0.226 24 R C 1.179 177.585 176.300 0.175 0.000 1.125 24 R CA 1.066 57.227 56.100 0.101 0.000 0.966 24 R CB 0.061 30.371 30.300 0.016 0.000 0.861 24 R HN 0.014 nan 8.270 nan 0.000 0.433 25 D N 0.662 121.101 120.400 0.064 0.000 2.123 25 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 25 D C 1.722 178.074 176.300 0.087 0.000 0.992 25 D CA 1.583 55.623 54.000 0.066 0.000 0.833 25 D CB -0.290 40.501 40.800 -0.015 0.000 0.954 25 D HN 0.340 nan 8.370 nan 0.000 0.455 26 A N 0.934 123.785 122.820 0.052 0.000 1.902 26 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 26 A C 2.301 179.905 177.584 0.033 0.000 1.181 26 A CA 2.252 54.310 52.037 0.035 0.000 0.623 26 A CB -0.689 18.322 19.000 0.019 0.000 0.818 26 A HN 0.244 nan 8.150 nan 0.000 0.443 27 A N -1.572 121.263 122.820 0.026 0.000 1.930 27 A HA 0.067 4.387 4.320 -0.000 0.000 0.217 27 A C 1.974 179.511 177.584 -0.078 0.000 1.175 27 A CA 1.271 53.280 52.037 -0.046 0.000 0.627 27 A CB -0.641 18.302 19.000 -0.095 0.000 0.815 27 A HN 0.470 nan 8.150 nan 0.000 0.443 28 F N -0.236 119.700 119.950 -0.023 0.000 2.163 28 F HA -0.090 4.437 4.527 -0.000 0.000 0.297 28 F C 2.423 178.209 175.800 -0.024 0.000 1.094 28 F CA 1.600 59.586 58.000 -0.023 0.000 1.290 28 F CB -0.069 38.913 39.000 -0.030 0.000 1.017 28 F HN 0.290 nan 8.300 nan 0.000 0.483 29 E N 1.102 121.396 120.200 0.157 0.000 2.085 29 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 29 E C 1.940 178.560 176.600 0.034 0.000 0.994 29 E CA 1.410 57.855 56.400 0.075 0.000 0.801 29 E CB -0.328 29.400 29.700 0.046 0.000 0.743 29 E HN 0.166 nan 8.360 nan 0.000 0.453 30 K N 0.007 120.416 120.400 0.015 0.000 2.442 30 K HA -0.075 4.245 4.320 -0.000 0.000 0.198 30 K C 1.903 178.488 176.600 -0.026 0.000 1.044 30 K CA 0.705 56.984 56.287 -0.013 0.000 0.948 30 K CB -0.185 32.300 32.500 -0.026 0.000 0.762 30 K HN 0.265 nan 8.250 nan 0.000 0.472 31 I N 1.102 121.663 120.570 -0.015 0.000 2.208 31 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 31 I C 1.604 177.706 176.117 -0.024 0.000 1.097 31 I CA 1.562 62.850 61.300 -0.020 0.000 1.363 31 I CB -0.344 37.668 38.000 0.020 0.000 1.051 31 I HN 0.340 nan 8.210 nan 0.000 0.413 32 N N 0.179 118.874 118.700 -0.010 0.000 2.120 32 N HA -0.238 4.502 4.740 -0.000 0.000 0.188 32 N C 1.769 177.255 175.510 -0.040 0.000 1.024 32 N CA 0.854 53.890 53.050 -0.023 0.000 0.852 32 N CB -0.131 38.350 38.487 -0.009 0.000 1.003 32 N HN 0.366 nan 8.380 nan 0.000 0.424 33 E N 0.554 120.733 120.200 -0.035 0.000 2.338 33 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 33 E C 1.321 177.886 176.600 -0.058 0.000 1.007 33 E CA 0.398 56.773 56.400 -0.042 0.000 0.849 33 E CB 0.115 29.796 29.700 -0.032 0.000 0.774 33 E HN 0.388 nan 8.360 nan 0.000 0.506 34 A N 0.197 122.977 122.820 -0.066 0.000 2.169 34 A HA 0.105 4.425 4.320 -0.000 0.000 0.210 34 A C 1.953 179.460 177.584 -0.128 0.000 1.168 34 A CA -0.038 51.948 52.037 -0.085 0.000 0.813 34 A CB 0.063 19.019 19.000 -0.074 0.000 0.861 34 A HN 0.038 nan 8.150 nan 0.000 0.481 35 R N 0.417 120.840 120.500 -0.128 0.000 2.127 35 R HA -0.085 4.255 4.340 -0.000 0.000 0.217 35 R C 2.479 178.676 176.300 -0.172 0.000 1.074 35 R CA 1.401 57.394 56.100 -0.180 0.000 0.991 35 R CB -0.155 30.061 30.300 -0.139 0.000 0.895 35 R HN 0.612 nan 8.270 nan 0.000 0.450 36 S N 0.954 116.584 115.700 -0.116 0.000 2.380 36 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 36 S C -0.973 173.567 174.600 -0.101 0.000 1.043 36 S CA 1.052 59.197 58.200 -0.093 0.000 1.038 36 S CB -1.106 62.055 63.200 -0.064 0.000 0.872 36 S HN 0.247 nan 8.310 nan 0.000 0.456 37 P HA 0.198 nan 4.420 nan 0.000 0.242 37 P C 0.863 178.080 177.300 -0.139 0.000 1.197 37 P CA 0.494 63.530 63.100 -0.108 0.000 0.765 37 P CB -0.127 31.511 31.700 -0.103 0.000 0.936 38 L N -2.082 119.021 121.223 -0.200 0.000 2.607 38 L HA 0.145 4.485 4.340 -0.000 0.000 0.228 38 L C 0.276 177.056 176.870 -0.151 0.000 1.123 38 L CA 0.032 54.722 54.840 -0.249 0.000 0.890 38 L CB 0.028 41.795 42.059 -0.486 0.000 1.103 38 L HN 0.014 nan 8.230 nan 0.000 0.468 39 L N -0.906 120.252 121.223 -0.107 0.000 2.303 39 L HA 0.529 4.869 4.340 -0.000 0.000 0.266 39 L C -2.213 174.633 176.870 -0.040 0.000 1.011 39 L CA -2.128 52.673 54.840 -0.066 0.000 0.818 39 L CB 0.750 42.770 42.059 -0.066 0.000 1.326 39 L HN -0.283 nan 8.230 nan 0.000 0.435 40 P HA 0.041 nan 4.420 nan 0.000 0.260 40 P C -1.191 176.101 177.300 -0.015 0.000 1.185 40 P CA -0.026 63.067 63.100 -0.011 0.000 0.763 40 P CB 0.188 31.886 31.700 -0.004 0.000 0.776 41 Q N 2.705 122.497 119.800 -0.012 0.000 2.303 41 Q HA 0.453 4.793 4.340 -0.000 0.000 0.257 41 Q C -0.651 175.346 176.000 -0.004 0.000 0.941 41 Q CA -0.491 55.305 55.803 -0.011 0.000 0.931 41 Q CB 1.654 30.385 28.738 -0.012 0.000 1.215 41 Q HN 0.328 nan 8.270 nan 0.000 0.437 42 L N 1.763 122.984 121.223 -0.004 0.000 2.485 42 L HA 0.631 4.971 4.340 -0.000 0.000 0.260 42 L C -0.657 176.213 176.870 0.000 0.000 0.998 42 L CA -0.087 54.753 54.840 -0.000 0.000 0.883 42 L CB 1.536 43.596 42.059 0.000 0.000 1.196 42 L HN 0.576 nan 8.230 nan 0.000 0.443 43 G N 3.287 112.088 108.800 0.002 0.000 2.432 43 G HA2 0.562 4.522 3.960 -0.000 0.000 0.331 43 G HA3 0.562 4.522 3.960 -0.000 0.000 0.331 43 G C -1.791 173.113 174.900 0.006 0.000 1.170 43 G CA -0.692 44.410 45.100 0.003 0.000 0.943 43 G HN 0.530 nan 8.290 nan 0.000 0.483 44 L N 2.365 123.592 121.223 0.006 0.000 2.277 44 L HA 0.713 5.053 4.340 -0.000 0.000 0.284 44 L C 0.634 177.510 176.870 0.011 0.000 1.028 44 L CA -0.346 54.500 54.840 0.009 0.000 0.835 44 L CB 0.805 42.869 42.059 0.009 0.000 1.215 44 L HN 0.575 nan 8.230 nan 0.000 0.425 45 G N 3.728 112.536 108.800 0.013 0.000 2.476 45 G HA2 0.677 4.637 3.960 -0.000 0.000 0.286 45 G HA3 0.677 4.637 3.960 -0.000 0.000 0.286 45 G C -0.906 174.007 174.900 0.020 0.000 1.177 45 G CA -0.062 45.048 45.100 0.016 0.000 0.870 45 G HN 1.218 nan 8.290 nan 0.000 0.528 46 A N 1.683 124.519 122.820 0.026 0.000 2.333 46 A HA 0.443 4.763 4.320 -0.000 0.000 0.298 46 A C -0.599 177.014 177.584 0.048 0.000 1.239 46 A CA -0.686 51.372 52.037 0.034 0.000 0.896 46 A CB 0.177 19.195 19.000 0.029 0.000 1.421 46 A HN 0.691 nan 8.150 nan 0.000 0.433 47 D N 0.204 120.639 120.400 0.057 0.000 2.569 47 D HA 0.625 5.265 4.640 -0.000 0.000 0.266 47 D C -0.634 175.754 176.300 0.146 0.000 1.164 47 D CA -0.484 53.567 54.000 0.084 0.000 1.071 47 D CB 1.487 42.323 40.800 0.059 0.000 1.183 47 D HN 0.486 nan 8.370 nan 0.000 0.613 48 Y N -0.203 120.103 120.300 0.011 0.000 2.301 48 Y HA 0.287 4.837 4.550 -0.000 0.000 0.325 48 Y C -1.403 174.512 175.900 0.025 0.000 1.103 48 Y CA -0.413 57.696 58.100 0.015 0.000 1.182 48 Y CB 1.404 39.871 38.460 0.013 0.000 1.139 48 Y HN 0.273 nan 8.280 nan 0.000 0.443 49 T N 5.391 119.738 114.554 -0.345 0.000 2.829 49 T HA 0.270 4.620 4.350 -0.000 0.000 0.282 49 T C -1.439 172.987 174.700 -0.456 0.000 0.990 49 T CA -0.444 61.475 62.100 -0.301 0.000 1.028 49 T CB 1.170 69.933 68.868 -0.175 0.000 0.951 49 T HN 0.594 nan 8.240 nan 0.000 0.460 50 Y N 2.264 122.339 120.300 -0.374 0.000 2.388 50 Y HA 0.496 5.046 4.550 -0.000 0.000 0.328 50 Y C -0.330 175.480 175.900 -0.149 0.000 0.963 50 Y CA -0.661 57.275 58.100 -0.274 0.000 1.240 50 Y CB 0.740 39.108 38.460 -0.153 0.000 1.118 50 Y HN 0.715 nan 8.280 nan 0.000 0.484 51 S N 5.217 120.533 115.700 -0.640 0.000 2.646 51 S HA 0.348 4.818 4.470 -0.000 0.000 0.276 51 S C -0.760 173.372 174.600 -0.780 0.000 1.222 51 S CA -1.001 56.861 58.200 -0.563 0.000 1.014 51 S CB 1.106 64.118 63.200 -0.314 0.000 0.991 51 S HN 0.771 nan 8.310 nan 0.000 0.533 52 N N 0.807 119.241 118.700 -0.444 0.000 2.621 52 N HA 0.186 4.926 4.740 -0.000 0.000 0.271 52 N C -0.232 175.247 175.510 -0.051 0.000 1.181 52 N CA -0.270 52.609 53.050 -0.285 0.000 0.805 52 N CB 1.141 39.470 38.487 -0.263 0.000 1.351 52 N HN 0.779 nan 8.380 nan 0.000 0.539 53 G N 1.912 110.699 108.800 -0.021 0.000 2.614 53 G HA2 0.320 4.280 3.960 -0.000 0.000 0.239 53 G HA3 0.320 4.280 3.960 -0.000 0.000 0.239 53 G C -0.727 174.305 174.900 0.221 0.000 1.240 53 G CA 0.405 45.549 45.100 0.072 0.000 0.842 53 G HN 0.635 nan 8.290 nan 0.000 0.584 54 Y N -1.777 118.497 120.300 -0.043 0.000 2.744 54 Y HA 0.706 5.256 4.550 -0.000 0.000 0.330 54 Y C 0.210 176.100 175.900 -0.018 0.000 1.263 54 Y CA -2.383 55.700 58.100 -0.027 0.000 1.065 54 Y CB 0.625 39.071 38.460 -0.023 0.000 1.306 54 Y HN 0.779 nan 8.280 nan 0.000 0.459 55 R N 2.568 123.081 120.500 0.021 0.000 2.557 55 R HA -0.223 4.117 4.340 -0.000 0.000 0.289 55 R C -0.097 176.145 176.300 -0.095 0.000 1.001 55 R CA 1.517 57.572 56.100 -0.076 0.000 0.869 55 R CB -1.294 28.885 30.300 -0.202 0.000 2.320 55 R HN 1.001 nan 8.270 nan 0.000 0.517 56 D N -0.123 120.255 120.400 -0.036 0.000 3.070 56 D HA -0.234 4.406 4.640 -0.000 0.000 0.210 56 D C -0.221 176.064 176.300 -0.024 0.000 1.103 56 D CA 1.687 55.670 54.000 -0.028 0.000 0.980 56 D CB -0.999 39.777 40.800 -0.039 0.000 1.100 56 D HN 0.763 nan 8.370 nan 0.000 0.423 57 A N -0.376 122.427 122.820 -0.027 0.000 2.631 57 A HA 0.131 4.451 4.320 -0.000 0.000 0.258 57 A C 0.344 177.925 177.584 -0.005 0.000 1.027 57 A CA 0.213 52.239 52.037 -0.018 0.000 1.015 57 A CB 0.153 19.131 19.000 -0.036 0.000 1.206 57 A HN 0.194 nan 8.150 nan 0.000 0.556 58 N N 1.122 119.834 118.700 0.021 0.000 2.356 58 N HA 0.274 5.014 4.740 -0.000 0.000 0.252 58 N C 1.351 176.868 175.510 0.012 0.000 1.241 58 N CA 2.339 55.414 53.050 0.043 0.000 0.861 58 N CB 0.540 39.062 38.487 0.059 0.000 1.075 58 N HN 1.089 nan 8.380 nan 0.000 0.461 59 G N 2.662 111.466 108.800 0.006 0.000 2.241 59 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.244 59 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.244 59 G C 0.186 175.056 174.900 -0.049 0.000 0.998 59 G CA 0.047 45.142 45.100 -0.009 0.000 0.621 59 G HN 0.605 nan 8.290 nan 0.000 0.519 60 I N 2.181 122.695 120.570 -0.093 0.000 2.315 60 I HA 0.478 4.648 4.170 -0.000 0.000 0.291 60 I C -0.657 175.388 176.117 -0.120 0.000 1.006 60 I CA -0.463 60.727 61.300 -0.183 0.000 1.265 60 I CB 0.308 38.048 38.000 -0.432 0.000 1.387 60 I HN 0.302 nan 8.210 nan 0.000 0.475 61 N N 4.642 123.290 118.700 -0.087 0.000 2.260 61 N HA 0.470 5.210 4.740 -0.000 0.000 0.293 61 N C -1.222 174.181 175.510 -0.178 0.000 1.058 61 N CA -0.633 52.342 53.050 -0.126 0.000 0.824 61 N CB 2.153 40.609 38.487 -0.052 0.000 1.551 61 N HN 0.519 nan 8.380 nan 0.000 0.475 62 S N 0.572 116.075 115.700 -0.328 0.000 2.638 62 S HA 0.619 5.089 4.470 -0.000 0.000 0.302 62 S C -0.976 173.479 174.600 -0.243 0.000 1.096 62 S CA -1.085 56.837 58.200 -0.464 0.000 0.953 62 S CB 1.339 64.099 63.200 -0.734 0.000 1.107 62 S HN 0.734 nan 8.310 nan 0.000 0.503 63 N N -0.669 117.903 118.700 -0.213 0.000 2.371 63 N HA 0.656 5.396 4.740 -0.000 0.000 0.291 63 N C -1.121 174.241 175.510 -0.247 0.000 1.053 63 N CA -0.879 52.039 53.050 -0.221 0.000 0.870 63 N CB 1.746 40.141 38.487 -0.153 0.000 1.503 63 N HN 0.835 nan 8.380 nan 0.000 0.485 64 A N 1.242 123.887 122.820 -0.292 0.000 2.306 64 A HA 0.824 5.144 4.320 -0.000 0.000 0.330 64 A C -0.436 177.067 177.584 -0.135 0.000 1.146 64 A CA -0.459 51.470 52.037 -0.180 0.000 0.827 64 A CB 1.072 19.983 19.000 -0.148 0.000 1.178 64 A HN 0.586 nan 8.150 nan 0.000 0.490 65 T N 1.618 116.164 114.554 -0.013 0.000 2.937 65 T HA 0.579 4.929 4.350 -0.000 0.000 0.297 65 T C -0.478 174.249 174.700 0.045 0.000 0.991 65 T CA -0.302 61.840 62.100 0.069 0.000 0.990 65 T CB 1.011 69.958 68.868 0.133 0.000 0.991 65 T HN 0.761 nan 8.240 nan 0.000 0.440 66 S N 1.774 117.501 115.700 0.044 0.000 2.648 66 S HA 0.988 5.458 4.470 -0.000 0.000 0.305 66 S C -0.766 173.857 174.600 0.038 0.000 1.094 66 S CA -1.051 57.169 58.200 0.034 0.000 0.983 66 S CB 2.053 65.267 63.200 0.023 0.000 1.101 66 S HN 1.039 nan 8.310 nan 0.000 0.514 67 A N 1.034 123.872 122.820 0.030 0.000 2.547 67 A HA 0.760 5.080 4.320 -0.000 0.000 0.298 67 A C -0.745 176.852 177.584 0.022 0.000 1.062 67 A CA -0.527 51.526 52.037 0.027 0.000 0.748 67 A CB 0.996 20.012 19.000 0.028 0.000 1.288 67 A HN 1.621 nan 8.150 nan 0.000 0.396 68 S N 2.293 118.004 115.700 0.019 0.000 2.543 68 S HA 0.638 5.108 4.470 -0.000 0.000 0.273 68 S C -1.158 173.451 174.600 0.015 0.000 1.152 68 S CA -0.702 57.508 58.200 0.017 0.000 0.910 68 S CB 0.843 64.054 63.200 0.017 0.000 1.105 68 S HN 0.938 nan 8.310 nan 0.000 0.465 69 L N 3.767 124.998 121.223 0.013 0.000 2.313 69 L HA 0.400 4.740 4.340 -0.000 0.000 0.282 69 L C 0.437 177.314 176.870 0.012 0.000 1.092 69 L CA -0.301 54.546 54.840 0.011 0.000 0.831 69 L CB 0.908 42.973 42.059 0.011 0.000 1.159 69 L HN 0.717 nan 8.230 nan 0.000 0.442 70 Q N 4.131 123.937 119.800 0.011 0.000 2.248 70 Q HA 0.681 5.021 4.340 -0.000 0.000 0.263 70 Q C -1.019 174.987 176.000 0.010 0.000 1.007 70 Q CA -0.875 54.935 55.803 0.011 0.000 0.877 70 Q CB 3.237 31.981 28.738 0.011 0.000 1.315 70 Q HN 0.460 nan 8.270 nan 0.000 0.454 71 L N 0.754 121.983 121.223 0.011 0.000 2.516 71 L HA 0.409 4.749 4.340 -0.000 0.000 0.267 71 L C -0.942 175.936 176.870 0.012 0.000 0.957 71 L CA -0.166 54.680 54.840 0.010 0.000 0.860 71 L CB 2.241 44.307 42.059 0.012 0.000 1.265 71 L HN 0.828 nan 8.230 nan 0.000 0.403 72 T N 1.118 115.677 114.554 0.009 0.000 2.940 72 T HA 0.798 5.148 4.350 -0.000 0.000 0.288 72 T C -0.719 173.987 174.700 0.010 0.000 1.033 72 T CA -0.596 61.511 62.100 0.011 0.000 1.033 72 T CB 1.918 70.791 68.868 0.008 0.000 1.079 72 T HN 0.615 nan 8.240 nan 0.000 0.496 73 Q N 0.983 120.794 119.800 0.018 0.000 2.313 73 Q HA 0.449 4.789 4.340 -0.000 0.000 0.255 73 Q C -1.250 174.772 176.000 0.036 0.000 0.944 73 Q CA -0.228 55.587 55.803 0.021 0.000 0.881 73 Q CB 2.030 30.785 28.738 0.028 0.000 1.375 73 Q HN 0.789 nan 8.270 nan 0.000 0.422 74 S N 4.674 120.391 115.700 0.028 0.000 2.549 74 S HA 0.360 4.830 4.470 -0.000 0.000 0.279 74 S C 0.588 175.251 174.600 0.105 0.000 1.321 74 S CA -0.284 57.947 58.200 0.053 0.000 1.054 74 S CB 0.304 63.514 63.200 0.018 0.000 0.899 74 S HN 0.683 nan 8.310 nan 0.000 0.497 75 I N 1.977 122.636 120.570 0.149 0.000 3.443 75 I HA 0.317 4.487 4.170 -0.000 0.000 0.277 75 I C -0.047 176.260 176.117 0.316 0.000 1.169 75 I CA 0.753 62.174 61.300 0.201 0.000 1.419 75 I CB -0.055 38.047 38.000 0.170 0.000 1.331 75 I HN 0.554 nan 8.210 nan 0.000 0.458 76 F N 1.854 121.869 119.950 0.107 0.000 2.671 76 F HA 0.416 4.943 4.527 -0.000 0.000 0.332 76 F C -1.346 174.503 175.800 0.082 0.000 1.189 76 F CA -0.666 57.396 58.000 0.104 0.000 0.988 76 F CB 0.958 39.999 39.000 0.068 0.000 1.258 76 F HN -0.143 nan 8.300 nan 0.000 0.471 77 D N 6.194 126.457 120.400 -0.228 0.000 2.319 77 D HA 0.116 4.756 4.640 -0.000 0.000 0.237 77 D C 0.242 176.421 176.300 -0.202 0.000 1.353 77 D CA -0.233 53.660 54.000 -0.179 0.000 0.992 77 D CB 1.518 42.290 40.800 -0.047 0.000 1.368 77 D HN 0.669 nan 8.370 nan 0.000 0.564 78 M N 2.448 121.833 119.600 -0.357 0.000 2.229 78 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 78 M C 1.872 178.149 176.300 -0.038 0.000 1.063 78 M CA 1.682 56.843 55.300 -0.232 0.000 1.114 78 M CB 0.051 32.481 32.600 -0.284 0.000 1.387 78 M HN 0.339 nan 8.290 nan 0.000 0.420 79 S N -0.213 115.456 115.700 -0.052 0.000 2.440 79 S HA -0.174 4.296 4.470 -0.000 0.000 0.238 79 S C 1.804 176.389 174.600 -0.025 0.000 1.010 79 S CA 1.333 59.515 58.200 -0.029 0.000 0.972 79 S CB -0.494 62.682 63.200 -0.040 0.000 0.774 79 S HN 0.611 nan 8.310 nan 0.000 0.501 80 K N -0.844 119.537 120.400 -0.032 0.000 2.243 80 K HA 0.050 4.370 4.320 -0.000 0.000 0.201 80 K C 1.595 178.120 176.600 -0.124 0.000 1.051 80 K CA 0.903 57.137 56.287 -0.088 0.000 0.970 80 K CB -0.184 32.243 32.500 -0.122 0.000 0.755 80 K HN 0.502 nan 8.250 nan 0.000 0.465 81 W N 1.304 122.536 121.300 -0.113 0.000 2.476 81 W HA -0.026 4.634 4.660 -0.000 0.000 0.281 81 W C 2.311 178.786 176.519 -0.074 0.000 1.230 81 W CA 0.377 57.666 57.345 -0.094 0.000 1.287 81 W CB 0.049 29.438 29.460 -0.118 0.000 1.108 81 W HN -0.052 nan 8.180 nan 0.000 0.567 82 R N 0.856 121.435 120.500 0.131 0.000 2.082 82 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 82 R C 2.317 178.627 176.300 0.017 0.000 1.136 82 R CA 2.130 58.264 56.100 0.057 0.000 0.935 82 R CB -1.485 28.828 30.300 0.022 0.000 0.842 82 R HN 0.071 nan 8.270 nan 0.000 0.430 83 A N 0.347 123.160 122.820 -0.013 0.000 2.054 83 A HA -0.214 4.106 4.320 -0.000 0.000 0.223 83 A C 2.092 179.649 177.584 -0.044 0.000 1.169 83 A CA 1.788 53.803 52.037 -0.035 0.000 0.655 83 A CB -0.659 18.309 19.000 -0.053 0.000 0.812 83 A HN 0.337 nan 8.150 nan 0.000 0.462 84 L N -0.181 121.014 121.223 -0.047 0.000 2.068 84 L HA -0.069 4.271 4.340 -0.000 0.000 0.204 84 L C 2.767 179.631 176.870 -0.010 0.000 1.076 84 L CA 2.718 57.525 54.840 -0.055 0.000 0.753 84 L CB -0.735 41.255 42.059 -0.114 0.000 0.910 84 L HN 0.510 nan 8.230 nan 0.000 0.439 85 T N -2.945 111.629 114.554 0.034 0.000 2.951 85 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 85 T C 1.853 176.555 174.700 0.003 0.000 1.073 85 T CA 0.932 63.053 62.100 0.035 0.000 1.134 85 T CB -0.510 68.395 68.868 0.063 0.000 0.884 85 T HN 0.164 nan 8.240 nan 0.000 0.479 86 L N 0.899 122.120 121.223 -0.004 0.000 2.201 86 L HA 0.165 4.505 4.340 -0.000 0.000 0.212 86 L C 2.581 179.430 176.870 -0.036 0.000 1.105 86 L CA 1.465 56.296 54.840 -0.016 0.000 0.775 86 L CB -1.128 40.923 42.059 -0.014 0.000 0.913 86 L HN 0.290 nan 8.230 nan 0.000 0.440 87 Q N -0.634 119.138 119.800 -0.047 0.000 2.402 87 Q HA -0.037 4.303 4.340 -0.000 0.000 0.206 87 Q C 1.868 177.805 176.000 -0.104 0.000 0.919 87 Q CA 0.853 56.614 55.803 -0.071 0.000 0.923 87 Q CB 0.253 28.953 28.738 -0.064 0.000 1.048 87 Q HN 0.546 nan 8.270 nan 0.000 0.515 88 E N -0.565 119.587 120.200 -0.079 0.000 2.170 88 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 88 E C 1.619 178.151 176.600 -0.114 0.000 0.981 88 E CA 0.590 56.932 56.400 -0.097 0.000 0.830 88 E CB 0.156 29.839 29.700 -0.028 0.000 0.775 88 E HN 0.181 nan 8.360 nan 0.000 0.470 89 K N 0.970 121.329 120.400 -0.069 0.000 2.103 89 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 89 K C 2.166 178.719 176.600 -0.079 0.000 1.052 89 K CA 0.977 57.232 56.287 -0.054 0.000 0.945 89 K CB -0.062 32.426 32.500 -0.020 0.000 0.722 89 K HN 0.033 nan 8.250 nan 0.000 0.443 90 A N 1.379 124.144 122.820 -0.091 0.000 1.908 90 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 90 A C 2.319 179.798 177.584 -0.175 0.000 1.181 90 A CA 1.982 53.958 52.037 -0.101 0.000 0.627 90 A CB -0.737 18.214 19.000 -0.082 0.000 0.818 90 A HN 0.335 nan 8.150 nan 0.000 0.445 91 A N -0.809 121.826 122.820 -0.308 0.000 2.066 91 A HA 0.239 4.559 4.320 -0.000 0.000 0.218 91 A C 2.249 179.505 177.584 -0.546 0.000 1.157 91 A CA 1.583 53.250 52.037 -0.617 0.000 0.670 91 A CB -0.985 17.321 19.000 -1.158 0.000 0.804 91 A HN 0.657 nan 8.150 nan 0.000 0.453 92 G N 0.051 108.682 108.800 -0.281 0.000 2.394 92 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.215 92 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.215 92 G C 1.501 176.384 174.900 -0.027 0.000 1.165 92 G CA 0.920 45.963 45.100 -0.095 0.000 0.784 92 G HN 0.437 nan 8.290 nan 0.000 0.535 93 I N 0.112 120.656 120.570 -0.042 0.000 2.127 93 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 93 I C 2.977 179.102 176.117 0.014 0.000 1.075 93 I CA 1.051 62.347 61.300 -0.007 0.000 1.334 93 I CB -0.129 37.862 38.000 -0.014 0.000 1.040 93 I HN 0.102 nan 8.210 nan 0.000 0.405 94 Q N 0.224 120.017 119.800 -0.011 0.000 2.181 94 Q HA -0.267 4.073 4.340 -0.000 0.000 0.205 94 Q C 1.649 177.726 176.000 0.128 0.000 0.980 94 Q CA 1.734 57.560 55.803 0.038 0.000 0.862 94 Q CB -0.549 28.188 28.738 -0.002 0.000 0.905 94 Q HN 0.503 nan 8.270 nan 0.000 0.429 95 D N -1.206 119.280 120.400 0.145 0.000 2.183 95 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 95 D C 1.687 178.118 176.300 0.219 0.000 0.969 95 D CA 0.537 54.695 54.000 0.265 0.000 0.842 95 D CB 0.348 41.354 40.800 0.343 0.000 0.957 95 D HN 0.031 nan 8.370 nan 0.000 0.484 96 V N -0.134 119.864 119.914 0.141 0.000 2.407 96 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 96 V C 2.659 178.808 176.094 0.092 0.000 1.041 96 V CA 1.883 64.246 62.300 0.104 0.000 1.040 96 V CB -0.629 31.236 31.823 0.070 0.000 0.671 96 V HN 0.447 nan 8.190 nan 0.000 0.455 97 T N -1.324 113.285 114.554 0.093 0.000 2.881 97 T HA -0.303 4.047 4.350 -0.000 0.000 0.270 97 T C 1.837 176.600 174.700 0.105 0.000 1.068 97 T CA 1.935 64.083 62.100 0.081 0.000 1.131 97 T CB -0.472 68.436 68.868 0.067 0.000 0.871 97 T HN 0.533 nan 8.240 nan 0.000 0.479 98 Y N 1.409 121.743 120.300 0.056 0.000 2.200 98 Y HA 0.003 4.553 4.550 -0.000 0.000 0.290 98 Y C 2.658 178.590 175.900 0.053 0.000 1.137 98 Y CA 1.681 59.816 58.100 0.059 0.000 1.163 98 Y CB -0.408 38.096 38.460 0.075 0.000 0.988 98 Y HN 0.318 nan 8.280 nan 0.000 0.518 99 Q N -1.167 118.646 119.800 0.021 0.000 2.167 99 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 99 Q C 2.092 178.043 176.000 -0.082 0.000 0.970 99 Q CA 1.855 57.635 55.803 -0.039 0.000 0.855 99 Q CB -0.151 28.618 28.738 0.051 0.000 0.911 99 Q HN 0.416 nan 8.270 nan 0.000 0.438 100 T N 1.084 115.610 114.554 -0.047 0.000 2.777 100 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 100 T C 1.040 175.697 174.700 -0.072 0.000 1.040 100 T CA 1.397 63.473 62.100 -0.039 0.000 1.141 100 T CB -0.152 68.712 68.868 -0.006 0.000 0.868 100 T HN 0.245 nan 8.240 nan 0.000 0.444 101 D N 0.959 121.287 120.400 -0.120 0.000 2.194 101 D HA -0.016 4.624 4.640 -0.000 0.000 0.204 101 D C 2.273 178.468 176.300 -0.175 0.000 0.964 101 D CA 0.702 54.626 54.000 -0.128 0.000 0.846 101 D CB -0.272 40.460 40.800 -0.113 0.000 0.962 101 D HN 0.410 nan 8.370 nan 0.000 0.490 102 Q N 0.257 119.875 119.800 -0.303 0.000 2.135 102 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 102 Q C 2.119 178.074 176.000 -0.076 0.000 0.981 102 Q CA 1.217 56.883 55.803 -0.229 0.000 0.856 102 Q CB 0.025 28.596 28.738 -0.279 0.000 0.902 102 Q HN 0.341 nan 8.270 nan 0.000 0.425 103 Q N -0.563 119.189 119.800 -0.080 0.000 2.096 103 Q HA -0.114 4.226 4.340 -0.000 0.000 0.197 103 Q C 1.829 177.804 176.000 -0.042 0.000 0.964 103 Q CA 1.478 57.250 55.803 -0.052 0.000 0.838 103 Q CB 0.148 28.860 28.738 -0.044 0.000 0.906 103 Q HN 0.230 nan 8.270 nan 0.000 0.444 104 T N 1.773 116.306 114.554 -0.035 0.000 2.665 104 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 104 T C 1.704 176.404 174.700 0.001 0.000 1.035 104 T CA 1.510 63.600 62.100 -0.016 0.000 1.151 104 T CB -0.389 68.471 68.868 -0.013 0.000 0.862 104 T HN 0.284 nan 8.240 nan 0.000 0.438 105 L N 0.758 121.993 121.223 0.019 0.000 2.012 105 L HA -0.037 4.303 4.340 -0.000 0.000 0.210 105 L C 2.164 179.086 176.870 0.087 0.000 1.073 105 L CA 1.566 56.456 54.840 0.083 0.000 0.748 105 L CB -0.624 41.514 42.059 0.131 0.000 0.891 105 L HN 0.276 nan 8.230 nan 0.000 0.431 106 I N -1.077 119.489 120.570 -0.007 0.000 2.118 106 I HA -0.331 3.839 4.170 -0.000 0.000 0.241 106 I C 2.363 178.375 176.117 -0.175 0.000 1.070 106 I CA 1.604 62.734 61.300 -0.283 0.000 1.327 106 I CB -0.516 37.287 38.000 -0.329 0.000 1.034 106 I HN 0.356 nan 8.210 nan 0.000 0.405 107 L N 0.682 121.855 121.223 -0.085 0.000 2.017 107 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 107 L C 2.032 178.895 176.870 -0.012 0.000 1.073 107 L CA 1.995 56.810 54.840 -0.042 0.000 0.745 107 L CB -0.954 41.094 42.059 -0.019 0.000 0.894 107 L HN 0.238 nan 8.230 nan 0.000 0.432 108 N N -1.806 116.896 118.700 0.002 0.000 2.309 108 N HA -0.155 4.585 4.740 -0.000 0.000 0.182 108 N C 1.372 176.897 175.510 0.026 0.000 1.018 108 N CA 1.454 54.517 53.050 0.022 0.000 0.876 108 N CB 0.050 38.555 38.487 0.030 0.000 0.972 108 N HN 0.434 nan 8.380 nan 0.000 0.434 109 T N 0.522 115.087 114.554 0.018 0.000 2.851 109 T HA 0.020 4.370 4.350 -0.000 0.000 0.262 109 T C 2.076 176.753 174.700 -0.039 0.000 1.043 109 T CA 0.933 63.047 62.100 0.024 0.000 1.140 109 T CB -0.127 68.796 68.868 0.090 0.000 0.872 109 T HN 0.260 nan 8.240 nan 0.000 0.446 110 A N 1.206 123.968 122.820 -0.098 0.000 1.898 110 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 110 A C 2.537 180.115 177.584 -0.010 0.000 1.181 110 A CA 1.990 53.933 52.037 -0.157 0.000 0.620 110 A CB -1.279 17.654 19.000 -0.111 0.000 0.819 110 A HN 0.422 nan 8.150 nan 0.000 0.442 111 T N 0.079 114.675 114.554 0.071 0.000 2.684 111 T HA -0.059 4.290 4.350 -0.000 0.000 0.267 111 T C 2.157 176.913 174.700 0.093 0.000 1.036 111 T CA 1.757 63.933 62.100 0.126 0.000 1.148 111 T CB -0.379 68.538 68.868 0.081 0.000 0.863 111 T HN 0.585 nan 8.240 nan 0.000 0.436 112 A N -0.282 122.568 122.820 0.049 0.000 1.968 112 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 112 A C 2.031 179.613 177.584 -0.002 0.000 1.169 112 A CA 1.159 53.213 52.037 0.028 0.000 0.638 112 A CB -0.821 18.200 19.000 0.034 0.000 0.812 112 A HN 0.637 nan 8.150 nan 0.000 0.446 113 Y N -0.700 119.501 120.300 -0.164 0.000 2.163 113 Y HA -0.180 4.370 4.550 -0.000 0.000 0.288 113 Y C 1.907 177.671 175.900 -0.226 0.000 1.136 113 Y CA 1.957 59.895 58.100 -0.269 0.000 1.147 113 Y CB -0.334 37.855 38.460 -0.451 0.000 0.987 113 Y HN 0.315 nan 8.280 nan 0.000 0.509 114 F N 0.145 120.110 119.950 0.025 0.000 2.325 114 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 114 F C 2.111 177.695 175.800 -0.360 0.000 1.090 114 F CA 1.083 58.997 58.000 -0.144 0.000 1.392 114 F CB -0.336 38.685 39.000 0.034 0.000 1.053 114 F HN 0.157 nan 8.300 nan 0.000 0.521 115 N N -0.045 118.629 118.700 -0.044 0.000 2.188 115 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 115 N C 1.792 177.202 175.510 -0.166 0.000 1.018 115 N CA 0.879 53.869 53.050 -0.099 0.000 0.858 115 N CB -0.054 38.413 38.487 -0.034 0.000 0.989 115 N HN 0.019 nan 8.380 nan 0.000 0.426 116 V N 1.598 121.398 119.914 -0.191 0.000 2.427 116 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 116 V C 2.163 178.104 176.094 -0.255 0.000 1.051 116 V CA 1.188 63.366 62.300 -0.203 0.000 1.048 116 V CB -0.336 31.355 31.823 -0.221 0.000 0.666 116 V HN 0.319 nan 8.190 nan 0.000 0.456 117 L N -0.025 120.985 121.223 -0.355 0.000 2.093 117 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 117 L C 2.535 179.164 176.870 -0.402 0.000 1.085 117 L CA 1.397 56.031 54.840 -0.342 0.000 0.755 117 L CB -0.657 41.221 42.059 -0.302 0.000 0.904 117 L HN 0.390 nan 8.230 nan 0.000 0.435 118 N N 0.598 118.917 118.700 -0.635 0.000 2.069 118 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 118 N C 1.770 177.196 175.510 -0.140 0.000 1.031 118 N CA 1.754 54.552 53.050 -0.420 0.000 0.852 118 N CB -0.026 38.256 38.487 -0.342 0.000 1.018 118 N HN 0.295 nan 8.380 nan 0.000 0.423 119 A N 0.369 123.105 122.820 -0.139 0.000 2.070 119 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 119 A C 2.383 179.925 177.584 -0.069 0.000 1.159 119 A CA 0.696 52.687 52.037 -0.078 0.000 0.656 119 A CB -0.449 18.508 19.000 -0.071 0.000 0.800 119 A HN 0.347 nan 8.150 nan 0.000 0.453 120 I N -0.504 120.009 120.570 -0.094 0.000 2.333 120 I HA -0.157 4.013 4.170 -0.000 0.000 0.246 120 I C 1.738 177.799 176.117 -0.095 0.000 1.106 120 I CA 1.107 62.356 61.300 -0.086 0.000 1.411 120 I CB -0.211 37.733 38.000 -0.093 0.000 1.082 120 I HN 0.190 nan 8.210 nan 0.000 0.420 121 D N 0.404 120.761 120.400 -0.072 0.000 2.097 121 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 121 D C 2.393 178.678 176.300 -0.026 0.000 0.984 121 D CA 1.112 55.046 54.000 -0.109 0.000 0.826 121 D CB -0.363 40.485 40.800 0.081 0.000 0.973 121 D HN 0.086 nan 8.370 nan 0.000 0.460 122 V N 1.178 121.128 119.914 0.059 0.000 2.282 122 V HA -0.241 3.879 4.120 -0.000 0.000 0.249 122 V C 2.521 178.645 176.094 0.051 0.000 1.057 122 V CA 1.420 63.776 62.300 0.092 0.000 1.032 122 V CB -0.512 31.339 31.823 0.046 0.000 0.645 122 V HN 0.151 nan 8.190 nan 0.000 0.447 123 L N -0.469 120.749 121.223 -0.008 0.000 2.156 123 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 123 L C 2.506 179.352 176.870 -0.040 0.000 1.095 123 L CA 2.173 56.999 54.840 -0.024 0.000 0.770 123 L CB -0.422 41.616 42.059 -0.036 0.000 0.914 123 L HN 0.277 nan 8.230 nan 0.000 0.439 124 S N -1.692 113.952 115.700 -0.093 0.000 2.387 124 S HA -0.144 4.326 4.470 -0.000 0.000 0.226 124 S C 1.897 176.444 174.600 -0.088 0.000 1.026 124 S CA 0.978 59.093 58.200 -0.143 0.000 0.972 124 S CB -0.367 62.682 63.200 -0.251 0.000 0.814 124 S HN 0.592 nan 8.310 nan 0.000 0.477 125 Y N 1.723 122.047 120.300 0.040 0.000 2.286 125 Y HA 0.067 4.616 4.550 -0.000 0.000 0.293 125 Y C 2.919 178.804 175.900 -0.026 0.000 1.124 125 Y CA 1.069 59.220 58.100 0.085 0.000 1.178 125 Y CB -1.276 37.270 38.460 0.144 0.000 1.010 125 Y HN 0.201 nan 8.280 nan 0.000 0.536 126 T N -0.172 114.446 114.554 0.106 0.000 2.803 126 T HA -0.217 4.133 4.350 -0.000 0.000 0.269 126 T C 1.768 176.425 174.700 -0.071 0.000 1.052 126 T CA 1.558 63.655 62.100 -0.004 0.000 1.136 126 T CB -0.189 68.677 68.868 -0.003 0.000 0.864 126 T HN 0.419 nan 8.240 nan 0.000 0.467 127 Q N -0.044 119.724 119.800 -0.053 0.000 2.187 127 Q HA 0.153 4.493 4.340 -0.000 0.000 0.199 127 Q C 2.627 178.572 176.000 -0.091 0.000 0.957 127 Q CA 0.965 56.727 55.803 -0.068 0.000 0.857 127 Q CB -0.128 28.580 28.738 -0.050 0.000 0.929 127 Q HN 0.542 nan 8.270 nan 0.000 0.453 128 A N 0.681 123.439 122.820 -0.103 0.000 1.929 128 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 128 A C 1.956 179.210 177.584 -0.551 0.000 1.176 128 A CA 1.200 53.142 52.037 -0.158 0.000 0.628 128 A CB -0.416 18.648 19.000 0.107 0.000 0.816 128 A HN 0.339 nan 8.150 nan 0.000 0.444 129 Q N 0.010 119.314 119.800 -0.827 0.000 2.050 129 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 129 Q C 2.160 177.996 176.000 -0.272 0.000 0.980 129 Q CA 2.082 57.412 55.803 -0.789 0.000 0.840 129 Q CB -0.211 28.222 28.738 -0.508 0.000 0.898 129 Q HN 0.678 nan 8.270 nan 0.000 0.424 130 K N 0.305 120.612 120.400 -0.155 0.000 2.059 130 K HA -0.264 4.056 4.320 -0.000 0.000 0.212 130 K C 1.766 178.443 176.600 0.128 0.000 1.050 130 K CA 2.158 58.434 56.287 -0.018 0.000 0.927 130 K CB -0.067 32.395 32.500 -0.063 0.000 0.714 130 K HN 0.251 nan 8.250 nan 0.000 0.447 131 E N -0.516 119.710 120.200 0.042 0.000 2.107 131 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 131 E C 1.911 178.593 176.600 0.137 0.000 0.982 131 E CA 0.917 57.380 56.400 0.105 0.000 0.809 131 E CB -0.060 29.666 29.700 0.042 0.000 0.756 131 E HN 0.479 nan 8.360 nan 0.000 0.459 132 A N 0.781 123.630 122.820 0.049 0.000 1.877 132 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 132 A C 2.135 179.779 177.584 0.100 0.000 1.186 132 A CA 1.178 53.265 52.037 0.084 0.000 0.620 132 A CB -0.541 18.518 19.000 0.100 0.000 0.822 132 A HN 0.168 nan 8.150 nan 0.000 0.443 133 I N -2.050 118.586 120.570 0.109 0.000 2.394 133 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 133 I C 2.376 178.572 176.117 0.132 0.000 1.136 133 I CA 1.360 62.740 61.300 0.133 0.000 1.425 133 I CB -0.307 37.799 38.000 0.177 0.000 1.079 133 I HN 0.552 nan 8.210 nan 0.000 0.425 134 Y N 1.750 122.086 120.300 0.061 0.000 2.145 134 Y HA -0.255 4.295 4.550 -0.000 0.000 0.286 134 Y C 2.694 178.529 175.900 -0.108 0.000 1.145 134 Y CA 1.545 59.545 58.100 -0.166 0.000 1.148 134 Y CB -0.205 38.184 38.460 -0.118 0.000 0.981 134 Y HN -0.055 nan 8.280 nan 0.000 0.507 135 R N -0.167 120.343 120.500 0.016 0.000 2.103 135 R HA -0.228 4.112 4.340 -0.000 0.000 0.242 135 R C 2.256 178.487 176.300 -0.116 0.000 1.142 135 R CA 1.866 57.932 56.100 -0.056 0.000 0.960 135 R CB -0.305 30.029 30.300 0.055 0.000 0.858 135 R HN 0.481 nan 8.270 nan 0.000 0.439 136 Q N 0.372 120.133 119.800 -0.064 0.000 2.084 136 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 136 Q C 2.199 178.132 176.000 -0.112 0.000 0.978 136 Q CA 1.035 56.808 55.803 -0.049 0.000 0.844 136 Q CB -0.391 28.338 28.738 -0.015 0.000 0.898 136 Q HN 0.234 nan 8.270 nan 0.000 0.426 137 L N 1.371 122.471 121.223 -0.204 0.000 2.046 137 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 137 L C 1.738 178.432 176.870 -0.293 0.000 1.077 137 L CA 2.199 56.888 54.840 -0.251 0.000 0.747 137 L CB -0.742 41.101 42.059 -0.360 0.000 0.896 137 L HN 0.088 nan 8.230 nan 0.000 0.432 138 D N -1.079 119.051 120.400 -0.450 0.000 2.117 138 D HA -0.262 4.378 4.640 -0.000 0.000 0.198 138 D C 2.191 178.382 176.300 -0.182 0.000 0.982 138 D CA 1.420 55.182 54.000 -0.396 0.000 0.828 138 D CB -0.128 40.334 40.800 -0.563 0.000 0.967 138 D HN 0.671 nan 8.370 nan 0.000 0.464 139 Q N -0.831 118.890 119.800 -0.132 0.000 2.435 139 Q HA -0.054 4.286 4.340 -0.000 0.000 0.207 139 Q C 1.162 177.160 176.000 -0.003 0.000 0.956 139 Q CA 1.181 56.955 55.803 -0.049 0.000 0.917 139 Q CB 0.041 28.766 28.738 -0.022 0.000 0.997 139 Q HN 0.121 nan 8.270 nan 0.000 0.497 140 T N 0.280 114.831 114.554 -0.006 0.000 2.976 140 T HA -0.029 4.321 4.350 -0.000 0.000 0.257 140 T C 1.698 176.439 174.700 0.068 0.000 1.051 140 T CA 1.312 63.442 62.100 0.050 0.000 1.141 140 T CB -0.187 68.700 68.868 0.031 0.000 0.881 140 T HN 0.351 nan 8.240 nan 0.000 0.461 141 T N 2.242 116.806 114.554 0.017 0.000 2.720 141 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 141 T C 2.043 176.799 174.700 0.093 0.000 1.037 141 T CA 1.072 63.212 62.100 0.065 0.000 1.144 141 T CB -0.245 68.615 68.868 -0.013 0.000 0.864 141 T HN 0.220 nan 8.240 nan 0.000 0.444 142 Q N 1.190 121.008 119.800 0.029 0.000 2.020 142 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 142 Q C 2.502 178.515 176.000 0.022 0.000 0.982 142 Q CA 1.509 57.320 55.803 0.014 0.000 0.838 142 Q CB -0.206 28.527 28.738 -0.008 0.000 0.899 142 Q HN 0.499 nan 8.270 nan 0.000 0.423 143 R N -0.576 119.947 120.500 0.038 0.000 2.105 143 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 143 R C 2.281 178.626 176.300 0.076 0.000 1.135 143 R CA 1.450 57.573 56.100 0.039 0.000 0.967 143 R CB -0.637 29.689 30.300 0.043 0.000 0.861 143 R HN 0.274 nan 8.270 nan 0.000 0.442 144 F N 2.420 122.362 119.950 -0.014 0.000 2.134 144 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 144 F C 1.879 177.672 175.800 -0.013 0.000 1.097 144 F CA 1.285 59.279 58.000 -0.010 0.000 1.264 144 F CB -0.321 38.676 39.000 -0.007 0.000 1.001 144 F HN -0.062 nan 8.300 nan 0.000 0.479 145 N N 0.260 118.819 118.700 -0.236 0.000 2.166 145 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 145 N C 1.834 177.183 175.510 -0.268 0.000 1.019 145 N CA 1.524 54.377 53.050 -0.328 0.000 0.856 145 N CB -0.310 38.107 38.487 -0.116 0.000 0.993 145 N HN 0.340 nan 8.380 nan 0.000 0.426 146 V N 0.111 119.926 119.914 -0.164 0.000 3.646 146 V HA 0.240 4.360 4.120 -0.000 0.000 0.277 146 V C 0.985 177.007 176.094 -0.120 0.000 1.274 146 V CA 0.948 63.175 62.300 -0.122 0.000 1.164 146 V CB -0.638 31.142 31.823 -0.072 0.000 0.926 146 V HN 0.455 nan 8.190 nan 0.000 0.442 147 G N 0.011 108.715 108.800 -0.160 0.000 2.141 147 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 147 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 147 G C 0.566 175.440 174.900 -0.043 0.000 0.982 147 G CA 0.547 45.580 45.100 -0.111 0.000 0.662 147 G HN 0.508 nan 8.290 nan 0.000 0.527 148 L N -0.406 120.802 121.223 -0.024 0.000 2.298 148 L HA 0.356 4.696 4.340 -0.000 0.000 0.209 148 L C 1.496 178.373 176.870 0.012 0.000 1.084 148 L CA 1.252 56.084 54.840 -0.014 0.000 0.816 148 L CB 0.298 42.338 42.059 -0.032 0.000 0.967 148 L HN 0.438 nan 8.230 nan 0.000 0.460 149 V N -3.929 116.031 119.914 0.075 0.000 3.074 149 V HA 0.844 4.964 4.120 -0.000 0.000 0.314 149 V C -0.130 176.095 176.094 0.217 0.000 1.117 149 V CA -1.025 61.346 62.300 0.117 0.000 1.014 149 V CB 1.484 33.384 31.823 0.128 0.000 1.057 149 V HN -0.024 nan 8.190 nan 0.000 0.438 150 A N 1.478 124.397 122.820 0.166 0.000 2.271 150 A HA 0.667 4.987 4.320 -0.000 0.000 0.288 150 A C 0.940 178.529 177.584 0.008 0.000 1.094 150 A CA -0.069 52.066 52.037 0.163 0.000 0.828 150 A CB 0.367 19.420 19.000 0.088 0.000 1.091 150 A HN 1.344 nan 8.150 nan 0.000 0.493 151 I N 0.417 120.861 120.570 -0.211 0.000 2.423 151 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 151 I C 2.176 178.117 176.117 -0.293 0.000 1.151 151 I CA 2.309 63.238 61.300 -0.618 0.000 1.421 151 I CB -0.038 37.603 38.000 -0.599 0.000 1.079 151 I HN 0.765 nan 8.210 nan 0.000 0.431 152 T N 0.321 114.793 114.554 -0.137 0.000 2.720 152 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 152 T C 1.481 176.139 174.700 -0.070 0.000 1.037 152 T CA 1.808 63.859 62.100 -0.080 0.000 1.144 152 T CB -0.467 68.383 68.868 -0.030 0.000 0.864 152 T HN 0.402 nan 8.240 nan 0.000 0.444 153 D N 0.674 121.049 120.400 -0.042 0.000 2.149 153 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 153 D C 2.179 178.448 176.300 -0.051 0.000 0.990 153 D CA 0.542 54.535 54.000 -0.012 0.000 0.839 153 D CB -0.522 40.334 40.800 0.094 0.000 0.948 153 D HN 0.244 nan 8.370 nan 0.000 0.460 154 V N 0.430 120.278 119.914 -0.110 0.000 2.379 154 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 154 V C 2.339 178.369 176.094 -0.107 0.000 1.044 154 V CA 1.478 63.702 62.300 -0.128 0.000 1.036 154 V CB -0.506 31.191 31.823 -0.210 0.000 0.664 154 V HN 0.168 nan 8.190 nan 0.000 0.453 155 Q N 0.034 119.764 119.800 -0.116 0.000 2.119 155 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 155 Q C 2.216 178.188 176.000 -0.048 0.000 0.972 155 Q CA 1.507 57.262 55.803 -0.080 0.000 0.847 155 Q CB -0.212 28.474 28.738 -0.087 0.000 0.903 155 Q HN 0.614 nan 8.270 nan 0.000 0.433 156 N N 0.668 119.338 118.700 -0.049 0.000 2.142 156 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 156 N C 1.659 177.155 175.510 -0.023 0.000 1.023 156 N CA 1.379 54.408 53.050 -0.036 0.000 0.852 156 N CB -0.421 38.039 38.487 -0.046 0.000 0.998 156 N HN 0.235 nan 8.380 nan 0.000 0.424 157 A N 1.471 124.272 122.820 -0.032 0.000 1.883 157 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 157 A C 2.292 179.894 177.584 0.030 0.000 1.186 157 A CA 1.901 53.928 52.037 -0.017 0.000 0.624 157 A CB -0.578 18.393 19.000 -0.049 0.000 0.822 157 A HN 0.288 nan 8.150 nan 0.000 0.444 158 R N 0.179 120.688 120.500 0.015 0.000 2.083 158 R HA -0.096 4.244 4.340 -0.000 0.000 0.237 158 R C 2.120 178.489 176.300 0.114 0.000 1.137 158 R CA 2.159 58.303 56.100 0.072 0.000 0.951 158 R CB -0.796 29.520 30.300 0.026 0.000 0.851 158 R HN 0.378 nan 8.270 nan 0.000 0.434 159 A N 0.060 122.912 122.820 0.055 0.000 1.902 159 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 159 A C 2.163 179.774 177.584 0.045 0.000 1.181 159 A CA 1.732 53.793 52.037 0.039 0.000 0.623 159 A CB -0.645 18.362 19.000 0.013 0.000 0.818 159 A HN 0.629 nan 8.150 nan 0.000 0.443 160 Q N -2.418 117.415 119.800 0.054 0.000 2.245 160 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 160 Q C 1.794 177.845 176.000 0.085 0.000 0.955 160 Q CA 1.245 57.077 55.803 0.049 0.000 0.870 160 Q CB -0.311 28.446 28.738 0.030 0.000 0.945 160 Q HN 0.730 nan 8.270 nan 0.000 0.461 161 Y N 0.920 121.220 120.300 0.000 0.000 2.293 161 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 161 Y C 1.364 177.272 175.900 0.013 0.000 1.137 161 Y CA 1.787 59.898 58.100 0.017 0.000 1.202 161 Y CB 0.023 38.509 38.460 0.043 0.000 0.990 161 Y HN 0.206 nan 8.280 nan 0.000 0.537 162 D N -0.857 119.551 120.400 0.014 0.000 2.144 162 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 162 D C 2.100 178.334 176.300 -0.110 0.000 0.978 162 D CA 1.814 55.769 54.000 -0.075 0.000 0.833 162 D CB -0.329 40.480 40.800 0.015 0.000 0.961 162 D HN 0.348 nan 8.370 nan 0.000 0.470 163 T N 0.156 114.670 114.554 -0.067 0.000 2.746 163 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 163 T C 2.065 176.709 174.700 -0.093 0.000 1.039 163 T CA 0.702 62.766 62.100 -0.060 0.000 1.142 163 T CB -0.379 68.471 68.868 -0.030 0.000 0.866 163 T HN -0.017 nan 8.240 nan 0.000 0.444 164 V N 1.277 121.115 119.914 -0.127 0.000 2.427 164 V HA -0.041 4.079 4.120 -0.000 0.000 0.248 164 V C 2.284 178.259 176.094 -0.199 0.000 1.051 164 V CA 1.291 63.502 62.300 -0.147 0.000 1.048 164 V CB -0.495 31.246 31.823 -0.136 0.000 0.666 164 V HN 0.475 nan 8.190 nan 0.000 0.456 165 L N -0.017 121.026 121.223 -0.300 0.000 2.079 165 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 165 L C 2.652 179.431 176.870 -0.152 0.000 1.081 165 L CA 1.782 56.461 54.840 -0.269 0.000 0.752 165 L CB -0.791 41.069 42.059 -0.332 0.000 0.896 165 L HN 0.444 nan 8.230 nan 0.000 0.433 166 A N -0.393 122.355 122.820 -0.121 0.000 2.067 166 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 166 A C 1.906 179.451 177.584 -0.065 0.000 1.156 166 A CA 1.095 53.085 52.037 -0.078 0.000 0.683 166 A CB -0.330 18.633 19.000 -0.062 0.000 0.808 166 A HN 0.406 nan 8.150 nan 0.000 0.455 167 N N -0.088 118.569 118.700 -0.071 0.000 2.354 167 N HA -0.103 4.637 4.740 -0.000 0.000 0.179 167 N C 1.585 177.065 175.510 -0.051 0.000 1.021 167 N CA 1.220 54.238 53.050 -0.052 0.000 0.887 167 N CB -0.250 38.209 38.487 -0.047 0.000 0.974 167 N HN 0.778 nan 8.380 nan 0.000 0.437 168 E N 0.533 120.691 120.200 -0.069 0.000 2.150 168 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 168 E C 1.410 177.979 176.600 -0.051 0.000 0.985 168 E CA 0.470 56.832 56.400 -0.063 0.000 0.814 168 E CB 0.164 29.814 29.700 -0.083 0.000 0.752 168 E HN 0.061 nan 8.360 nan 0.000 0.466 169 L N 0.880 122.072 121.223 -0.052 0.000 2.046 169 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 169 L C 2.410 179.261 176.870 -0.033 0.000 1.077 169 L CA 1.778 56.594 54.840 -0.041 0.000 0.747 169 L CB -1.562 40.474 42.059 -0.040 0.000 0.896 169 L HN 0.253 nan 8.230 nan 0.000 0.432 170 T N 0.265 114.800 114.554 -0.031 0.000 2.746 170 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 170 T C 2.024 176.711 174.700 -0.021 0.000 1.039 170 T CA 1.274 63.360 62.100 -0.024 0.000 1.142 170 T CB -0.189 68.666 68.868 -0.022 0.000 0.866 170 T HN 0.405 nan 8.240 nan 0.000 0.444 171 A N 1.845 124.651 122.820 -0.023 0.000 1.933 171 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 171 A C 2.269 179.840 177.584 -0.022 0.000 1.175 171 A CA 2.067 54.092 52.037 -0.019 0.000 0.628 171 A CB -0.492 18.496 19.000 -0.020 0.000 0.814 171 A HN 0.439 nan 8.150 nan 0.000 0.444 172 R N 0.012 120.497 120.500 -0.026 0.000 2.093 172 R HA -0.042 4.298 4.340 -0.000 0.000 0.224 172 R C 1.882 178.169 176.300 -0.020 0.000 1.101 172 R CA 1.764 57.850 56.100 -0.024 0.000 0.979 172 R CB -0.665 29.619 30.300 -0.028 0.000 0.877 172 R HN 0.490 nan 8.270 nan 0.000 0.441 173 N N 0.373 119.061 118.700 -0.021 0.000 2.120 173 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 173 N C 1.081 176.582 175.510 -0.015 0.000 1.024 173 N CA 2.028 55.067 53.050 -0.018 0.000 0.852 173 N CB -0.241 38.235 38.487 -0.018 0.000 1.003 173 N HN 0.464 nan 8.380 nan 0.000 0.424 174 N N -0.533 118.157 118.700 -0.016 0.000 2.205 174 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 174 N C 1.417 176.916 175.510 -0.018 0.000 1.015 174 N CA 0.790 53.831 53.050 -0.015 0.000 0.862 174 N CB -0.100 38.377 38.487 -0.015 0.000 0.986 174 N HN 0.197 nan 8.380 nan 0.000 0.429 175 L N 1.562 122.773 121.223 -0.020 0.000 2.044 175 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 175 L C 1.396 178.263 176.870 -0.005 0.000 1.075 175 L CA 1.819 56.647 54.840 -0.021 0.000 0.747 175 L CB -0.540 41.504 42.059 -0.024 0.000 0.903 175 L HN 0.052 nan 8.230 nan 0.000 0.435 176 D N -0.260 120.140 120.400 -0.001 0.000 2.144 176 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 176 D C 1.697 178.002 176.300 0.009 0.000 0.984 176 D CA 1.141 55.145 54.000 0.008 0.000 0.834 176 D CB -0.176 40.620 40.800 -0.007 0.000 0.955 176 D HN 0.411 nan 8.370 nan 0.000 0.465 177 N N 0.497 119.197 118.700 0.000 0.000 2.354 177 N HA -0.020 4.720 4.740 -0.000 0.000 0.179 177 N C 1.626 177.140 175.510 0.007 0.000 1.021 177 N CA 0.745 53.796 53.050 0.002 0.000 0.887 177 N CB -0.094 38.391 38.487 -0.003 0.000 0.974 177 N HN 0.106 nan 8.380 nan 0.000 0.437 178 A N 0.158 122.978 122.820 0.000 0.000 1.970 178 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 178 A C 2.346 179.936 177.584 0.009 0.000 1.170 178 A CA 0.649 52.683 52.037 -0.005 0.000 0.645 178 A CB -0.433 18.549 19.000 -0.031 0.000 0.816 178 A HN 0.073 nan 8.150 nan 0.000 0.447 179 V N 0.290 120.221 119.914 0.029 0.000 2.427 179 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 179 V C 2.480 178.636 176.094 0.103 0.000 1.051 179 V CA 2.023 64.371 62.300 0.079 0.000 1.048 179 V CB -0.504 31.393 31.823 0.124 0.000 0.666 179 V HN 0.487 nan 8.190 nan 0.000 0.456 180 E N -0.666 119.573 120.200 0.066 0.000 2.152 180 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 180 E C 2.315 178.945 176.600 0.050 0.000 0.983 180 E CA 0.567 56.999 56.400 0.054 0.000 0.818 180 E CB -0.280 29.434 29.700 0.024 0.000 0.758 180 E HN 0.484 nan 8.360 nan 0.000 0.467 181 Q N 0.680 120.503 119.800 0.039 0.000 2.112 181 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 181 Q C 2.305 178.337 176.000 0.054 0.000 0.987 181 Q CA 0.807 56.632 55.803 0.037 0.000 0.858 181 Q CB -0.533 28.219 28.738 0.024 0.000 0.905 181 Q HN 0.314 nan 8.270 nan 0.000 0.420 182 L N 0.235 121.499 121.223 0.068 0.000 2.056 182 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 182 L C 2.578 179.532 176.870 0.140 0.000 1.078 182 L CA 1.233 56.131 54.840 0.098 0.000 0.749 182 L CB -0.257 41.866 42.059 0.106 0.000 0.901 182 L HN 0.235 nan 8.230 nan 0.000 0.433 183 R N -0.181 120.403 120.500 0.141 0.000 2.120 183 R HA -0.245 4.095 4.340 -0.000 0.000 0.234 183 R C 2.164 178.514 176.300 0.084 0.000 1.123 183 R CA 1.793 57.969 56.100 0.127 0.000 0.975 183 R CB -0.138 30.229 30.300 0.111 0.000 0.866 183 R HN 0.515 nan 8.270 nan 0.000 0.446 184 Q N 0.259 120.099 119.800 0.068 0.000 2.084 184 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 184 Q C 1.884 177.917 176.000 0.055 0.000 0.978 184 Q CA 1.655 57.488 55.803 0.050 0.000 0.844 184 Q CB -0.024 28.738 28.738 0.040 0.000 0.898 184 Q HN 0.371 nan 8.270 nan 0.000 0.426 185 I N -0.540 120.070 120.570 0.067 0.000 2.876 185 I HA -0.113 4.057 4.170 -0.000 0.000 0.264 185 I C 1.848 178.013 176.117 0.080 0.000 1.204 185 I CA 0.902 62.243 61.300 0.068 0.000 1.485 185 I CB 0.221 38.262 38.000 0.068 0.000 1.103 185 I HN 0.165 nan 8.210 nan 0.000 0.446 186 T N -1.200 113.417 114.554 0.106 0.000 3.000 186 T HA 0.237 4.587 4.350 -0.000 0.000 0.248 186 T C 1.497 176.259 174.700 0.102 0.000 1.034 186 T CA 0.852 63.035 62.100 0.137 0.000 1.060 186 T CB 0.519 69.543 68.868 0.260 0.000 0.983 186 T HN 0.513 nan 8.240 nan 0.000 0.482 187 G N 1.844 110.688 108.800 0.073 0.000 2.363 187 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.238 187 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.238 187 G C 0.126 175.029 174.900 0.004 0.000 1.062 187 G CA -0.047 45.073 45.100 0.034 0.000 0.629 187 G HN 0.503 nan 8.290 nan 0.000 0.514 188 N N -0.176 118.511 118.700 -0.023 0.000 2.466 188 N HA 0.505 5.245 4.740 -0.000 0.000 0.294 188 N C -0.764 174.620 175.510 -0.210 0.000 1.129 188 N CA -0.448 52.471 53.050 -0.217 0.000 0.931 188 N CB 1.409 39.572 38.487 -0.539 0.000 1.193 188 N HN 0.391 nan 8.380 nan 0.000 0.500 189 Y N 1.113 121.212 120.300 -0.335 0.000 2.336 189 Y HA 0.280 4.830 4.550 -0.000 0.000 0.335 189 Y C -1.045 174.617 175.900 -0.396 0.000 1.046 189 Y CA -0.576 57.383 58.100 -0.235 0.000 1.198 189 Y CB 0.388 38.773 38.460 -0.125 0.000 1.182 189 Y HN 0.399 nan 8.280 nan 0.000 0.502 190 Y N 8.408 128.369 120.300 -0.564 0.000 2.334 190 Y HA 0.295 4.845 4.550 -0.000 0.000 0.336 190 Y C -1.676 173.740 175.900 -0.806 0.000 0.960 190 Y CA -2.392 55.366 58.100 -0.571 0.000 1.164 190 Y CB 1.337 39.657 38.460 -0.234 0.000 1.155 190 Y HN 0.571 nan 8.280 nan 0.000 0.478 191 P HA -0.093 nan 4.420 nan 0.000 0.222 191 P C -0.522 176.699 177.300 -0.131 0.000 1.153 191 P CA 1.080 63.958 63.100 -0.371 0.000 0.798 191 P CB 0.746 32.321 31.700 -0.208 0.000 0.796 192 E N -1.244 118.908 120.200 -0.080 0.000 2.392 192 E HA 0.553 4.903 4.350 -0.000 0.000 0.279 192 E C -1.459 175.124 176.600 -0.028 0.000 0.964 192 E CA -0.954 55.421 56.400 -0.041 0.000 0.777 192 E CB 1.199 30.887 29.700 -0.019 0.000 1.249 192 E HN -0.128 nan 8.360 nan 0.000 0.449 193 L N 0.462 121.652 121.223 -0.055 0.000 2.283 193 L HA 0.769 5.109 4.340 -0.000 0.000 0.259 193 L C -0.472 176.412 176.870 0.024 0.000 1.027 193 L CA -1.454 53.355 54.840 -0.052 0.000 0.828 193 L CB 2.105 43.996 42.059 -0.280 0.000 1.380 193 L HN 0.818 nan 8.230 nan 0.000 0.425 194 A N 1.047 123.951 122.820 0.140 0.000 2.302 194 A HA 0.674 4.994 4.320 -0.000 0.000 0.295 194 A C 0.153 177.850 177.584 0.187 0.000 1.235 194 A CA -0.292 51.835 52.037 0.149 0.000 0.876 194 A CB 0.433 19.521 19.000 0.147 0.000 1.133 194 A HN 0.698 nan 8.150 nan 0.000 0.533 195 A N 2.418 125.314 122.820 0.126 0.000 2.386 195 A HA 0.485 4.805 4.320 -0.000 0.000 0.248 195 A C 0.272 177.982 177.584 0.210 0.000 1.082 195 A CA -0.404 51.722 52.037 0.149 0.000 0.789 195 A CB 0.038 19.092 19.000 0.090 0.000 1.025 195 A HN 1.473 nan 8.150 nan 0.000 0.490 196 L N 1.780 123.167 121.223 0.273 0.000 2.499 196 L HA 0.061 4.401 4.340 -0.000 0.000 0.273 196 L C 0.668 177.619 176.870 0.134 0.000 1.195 196 L CA 0.351 55.332 54.840 0.235 0.000 0.882 196 L CB 0.007 42.184 42.059 0.196 0.000 1.133 196 L HN 0.779 nan 8.230 nan 0.000 0.483 197 N N 3.180 121.966 118.700 0.143 0.000 2.416 197 N HA 0.102 4.842 4.740 -0.000 0.000 0.265 197 N C 0.800 176.381 175.510 0.118 0.000 1.195 197 N CA -0.253 52.867 53.050 0.116 0.000 0.943 197 N CB 0.703 39.261 38.487 0.120 0.000 1.115 197 N HN 0.636 nan 8.380 nan 0.000 0.481 198 V N 2.215 122.174 119.914 0.074 0.000 2.992 198 V HA -0.031 4.088 4.120 -0.000 0.000 0.250 198 V C 1.950 178.102 176.094 0.096 0.000 1.090 198 V CA 0.619 62.953 62.300 0.057 0.000 1.101 198 V CB -0.285 31.535 31.823 -0.006 0.000 0.743 198 V HN 0.699 nan 8.190 nan 0.000 0.468 199 E N 0.717 120.965 120.200 0.080 0.000 2.285 199 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 199 E C 1.306 177.954 176.600 0.080 0.000 0.997 199 E CA 0.648 57.091 56.400 0.072 0.000 0.845 199 E CB -0.554 29.175 29.700 0.050 0.000 0.782 199 E HN 0.543 nan 8.360 nan 0.000 0.491 200 N N 0.290 119.046 118.700 0.094 0.000 2.383 200 N HA 0.008 4.748 4.740 -0.000 0.000 0.192 200 N C -0.742 174.820 175.510 0.088 0.000 1.141 200 N CA -0.221 52.875 53.050 0.078 0.000 0.851 200 N CB -0.134 38.392 38.487 0.065 0.000 0.976 200 N HN 0.035 nan 8.380 nan 0.000 0.465 201 F N 2.100 122.048 119.950 -0.004 0.000 2.533 201 F HA 0.108 4.635 4.527 -0.000 0.000 0.378 201 F C 0.034 175.814 175.800 -0.033 0.000 1.070 201 F CA 0.034 58.024 58.000 -0.017 0.000 1.172 201 F CB 0.228 39.203 39.000 -0.041 0.000 1.085 201 F HN -0.247 nan 8.300 nan 0.000 0.552 202 K N 2.899 122.856 120.400 -0.739 0.000 2.435 202 K HA 0.559 4.879 4.320 -0.000 0.000 0.251 202 K C -0.530 175.579 176.600 -0.817 0.000 0.954 202 K CA -0.955 54.974 56.287 -0.597 0.000 0.820 202 K CB 2.052 34.388 32.500 -0.272 0.000 1.292 202 K HN 0.548 nan 8.250 nan 0.000 0.436 203 T N -2.112 112.084 114.554 -0.596 0.000 2.932 203 T HA 0.563 4.913 4.350 -0.000 0.000 0.289 203 T C -0.908 173.679 174.700 -0.190 0.000 1.039 203 T CA -1.002 60.794 62.100 -0.507 0.000 1.024 203 T CB 1.233 69.562 68.868 -0.898 0.000 1.090 203 T HN 0.354 nan 8.240 nan 0.000 0.496 204 D N 1.282 121.682 120.400 0.001 0.000 2.619 204 D HA 0.329 4.969 4.640 -0.000 0.000 0.241 204 D C -0.289 176.053 176.300 0.070 0.000 1.087 204 D CA -0.806 53.209 54.000 0.024 0.000 0.851 204 D CB 1.686 42.512 40.800 0.043 0.000 1.474 204 D HN 0.371 nan 8.370 nan 0.000 0.478 205 K N 1.993 122.418 120.400 0.041 0.000 2.436 205 K HA 0.190 4.510 4.320 -0.000 0.000 0.275 205 K C -1.827 174.836 176.600 0.106 0.000 0.999 205 K CA -0.910 55.417 56.287 0.066 0.000 0.980 205 K CB 0.066 32.597 32.500 0.051 0.000 0.919 205 K HN 0.339 nan 8.250 nan 0.000 0.484 206 P HA 0.032 nan 4.420 nan 0.000 0.274 206 P C -0.153 177.244 177.300 0.162 0.000 1.260 206 P CA -0.379 62.829 63.100 0.179 0.000 0.793 206 P CB 0.484 32.360 31.700 0.294 0.000 1.048 207 Q N 0.155 120.022 119.800 0.112 0.000 2.454 207 Q HA 0.229 4.569 4.340 -0.000 0.000 0.247 207 Q C -1.924 174.095 176.000 0.032 0.000 1.028 207 Q CA -1.521 54.316 55.803 0.056 0.000 0.910 207 Q CB -1.215 27.533 28.738 0.016 0.000 1.276 207 Q HN 0.327 nan 8.270 nan 0.000 0.489 208 P HA -0.071 nan 4.420 nan 0.000 0.268 208 P C 0.779 177.862 177.300 -0.362 0.000 1.208 208 P CA 0.019 63.041 63.100 -0.131 0.000 0.777 208 P CB 0.570 32.224 31.700 -0.078 0.000 0.875 209 V N 2.835 122.302 119.914 -0.746 0.000 2.392 209 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 209 V C 1.530 177.411 176.094 -0.355 0.000 1.059 209 V CA 2.242 64.043 62.300 -0.832 0.000 1.051 209 V CB -1.062 30.076 31.823 -1.141 0.000 0.658 209 V HN 0.537 nan 8.190 nan 0.000 0.455 210 N N 0.296 118.856 118.700 -0.232 0.000 2.216 210 N HA -0.068 4.672 4.740 -0.000 0.000 0.183 210 N C 1.967 177.421 175.510 -0.093 0.000 1.017 210 N CA 1.094 54.069 53.050 -0.126 0.000 0.861 210 N CB -0.343 38.093 38.487 -0.083 0.000 0.986 210 N HN 0.532 nan 8.380 nan 0.000 0.428 211 A N 1.841 124.604 122.820 -0.097 0.000 1.883 211 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 211 A C 2.185 179.734 177.584 -0.058 0.000 1.186 211 A CA 1.136 53.136 52.037 -0.062 0.000 0.624 211 A CB -0.856 18.113 19.000 -0.052 0.000 0.822 211 A HN 0.172 nan 8.150 nan 0.000 0.444 212 L N -0.871 120.302 121.223 -0.084 0.000 2.083 212 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 212 L C 2.621 179.462 176.870 -0.048 0.000 1.083 212 L CA 1.020 55.823 54.840 -0.063 0.000 0.752 212 L CB -0.556 41.455 42.059 -0.081 0.000 0.899 212 L HN 0.379 nan 8.230 nan 0.000 0.433 213 L N -0.339 120.845 121.223 -0.065 0.000 2.017 213 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 213 L C 2.684 179.551 176.870 -0.005 0.000 1.073 213 L CA 1.306 56.126 54.840 -0.033 0.000 0.745 213 L CB -0.302 41.731 42.059 -0.042 0.000 0.894 213 L HN 0.161 nan 8.230 nan 0.000 0.432 214 K N 0.141 120.532 120.400 -0.015 0.000 2.032 214 K HA -0.270 4.050 4.320 -0.000 0.000 0.209 214 K C 2.004 178.603 176.600 -0.001 0.000 1.048 214 K CA 1.738 58.022 56.287 -0.005 0.000 0.927 214 K CB -0.073 32.419 32.500 -0.013 0.000 0.712 214 K HN 0.124 nan 8.250 nan 0.000 0.441 215 E N -0.168 120.028 120.200 -0.007 0.000 2.160 215 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 215 E C 1.510 178.113 176.600 0.006 0.000 0.991 215 E CA 1.467 57.866 56.400 -0.002 0.000 0.810 215 E CB -0.107 29.590 29.700 -0.005 0.000 0.742 215 E HN 0.359 nan 8.360 nan 0.000 0.466 216 A N 0.010 122.835 122.820 0.009 0.000 1.975 216 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 216 A C 1.985 179.588 177.584 0.032 0.000 1.170 216 A CA 1.130 53.179 52.037 0.019 0.000 0.656 216 A CB -0.334 18.677 19.000 0.019 0.000 0.821 216 A HN 0.199 nan 8.150 nan 0.000 0.449 217 E N 0.151 120.373 120.200 0.036 0.000 2.153 217 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 217 E C 1.981 178.590 176.600 0.014 0.000 0.988 217 E CA 1.234 57.655 56.400 0.034 0.000 0.811 217 E CB -0.077 29.639 29.700 0.027 0.000 0.746 217 E HN 0.580 nan 8.360 nan 0.000 0.466 218 K N -0.514 119.893 120.400 0.011 0.000 2.044 218 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 218 K C 1.614 178.221 176.600 0.012 0.000 1.049 218 K CA 0.820 57.112 56.287 0.009 0.000 0.945 218 K CB 0.279 32.783 32.500 0.006 0.000 0.724 218 K HN -0.066 nan 8.250 nan 0.000 0.440 219 R N -0.044 120.465 120.500 0.014 0.000 2.419 219 R HA 0.078 4.418 4.340 -0.000 0.000 0.235 219 R C 0.097 176.408 176.300 0.017 0.000 0.899 219 R CA -0.167 55.942 56.100 0.015 0.000 1.048 219 R CB -0.114 30.193 30.300 0.012 0.000 1.182 219 R HN 0.110 nan 8.270 nan 0.000 0.544 220 N N 1.621 120.333 118.700 0.020 0.000 2.411 220 N HA -0.062 4.678 4.740 -0.000 0.000 0.261 220 N C 1.108 176.632 175.510 0.022 0.000 1.248 220 N CA 0.145 53.208 53.050 0.021 0.000 0.885 220 N CB 0.569 39.073 38.487 0.029 0.000 1.062 220 N HN 0.016 nan 8.380 nan 0.000 0.471 221 L N 1.953 123.188 121.223 0.019 0.000 2.240 221 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 221 L C 2.141 179.025 176.870 0.023 0.000 1.106 221 L CA 0.465 55.318 54.840 0.022 0.000 0.793 221 L CB -0.311 41.758 42.059 0.017 0.000 0.927 221 L HN 0.554 nan 8.230 nan 0.000 0.446 222 S N 0.562 116.275 115.700 0.022 0.000 2.383 222 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 222 S C 1.674 176.290 174.600 0.026 0.000 1.026 222 S CA 1.234 59.447 58.200 0.023 0.000 0.981 222 S CB -0.072 63.141 63.200 0.021 0.000 0.818 222 S HN 0.377 nan 8.310 nan 0.000 0.472 223 L N -0.043 121.199 121.223 0.030 0.000 2.529 223 L HA 0.359 4.699 4.340 -0.000 0.000 0.223 223 L C 1.633 178.517 176.870 0.024 0.000 1.113 223 L CA 0.916 55.774 54.840 0.031 0.000 0.861 223 L CB -1.645 40.442 42.059 0.047 0.000 1.012 223 L HN 0.148 nan 8.230 nan 0.000 0.461 224 L N 0.766 122.003 121.223 0.024 0.000 1.994 224 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 224 L C 2.780 179.665 176.870 0.026 0.000 1.071 224 L CA 2.292 57.147 54.840 0.025 0.000 0.745 224 L CB -0.960 41.116 42.059 0.029 0.000 0.892 224 L HN 0.620 nan 8.230 nan 0.000 0.431 225 Q N -0.947 118.870 119.800 0.027 0.000 2.096 225 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 225 Q C 2.078 178.090 176.000 0.021 0.000 0.982 225 Q CA 1.994 57.812 55.803 0.026 0.000 0.850 225 Q CB -0.224 28.530 28.738 0.027 0.000 0.901 225 Q HN 0.644 nan 8.270 nan 0.000 0.422 226 A N 0.646 123.477 122.820 0.019 0.000 1.972 226 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 226 A C 2.050 179.640 177.584 0.011 0.000 1.169 226 A CA 1.413 53.458 52.037 0.014 0.000 0.635 226 A CB -0.422 18.586 19.000 0.014 0.000 0.810 226 A HN 0.344 nan 8.150 nan 0.000 0.446 227 R N -0.768 119.741 120.500 0.014 0.000 2.062 227 R HA 0.084 4.423 4.340 -0.000 0.000 0.229 227 R C 2.047 178.364 176.300 0.028 0.000 1.128 227 R CA 1.133 57.243 56.100 0.016 0.000 0.960 227 R CB -0.369 29.939 30.300 0.013 0.000 0.855 227 R HN 0.515 nan 8.270 nan 0.000 0.432 228 L N -0.067 121.172 121.223 0.027 0.000 2.079 228 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 228 L C 2.169 179.057 176.870 0.031 0.000 1.081 228 L CA 1.129 55.986 54.840 0.029 0.000 0.752 228 L CB -0.297 41.777 42.059 0.024 0.000 0.896 228 L HN 0.158 nan 8.230 nan 0.000 0.433 229 S N -1.249 114.467 115.700 0.028 0.000 2.515 229 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 229 S C 1.817 176.444 174.600 0.045 0.000 0.987 229 S CA 0.725 58.943 58.200 0.029 0.000 0.936 229 S CB 0.018 63.230 63.200 0.020 0.000 0.766 229 S HN 0.410 nan 8.310 nan 0.000 0.528 230 Q N 0.434 120.265 119.800 0.051 0.000 2.259 230 Q HA -0.065 4.275 4.340 -0.000 0.000 0.201 230 Q C 1.370 177.475 176.000 0.176 0.000 0.938 230 Q CA 0.730 56.584 55.803 0.086 0.000 0.872 230 Q CB -0.035 28.724 28.738 0.035 0.000 0.971 230 Q HN 0.300 nan 8.270 nan 0.000 0.494 231 D N 0.790 121.259 120.400 0.115 0.000 2.106 231 D HA -0.205 4.435 4.640 -0.000 0.000 0.191 231 D C 1.885 178.234 176.300 0.081 0.000 0.997 231 D CA 0.770 54.826 54.000 0.094 0.000 0.834 231 D CB -0.256 40.577 40.800 0.056 0.000 0.956 231 D HN 0.186 nan 8.370 nan 0.000 0.448 232 L N 0.495 121.757 121.223 0.065 0.000 2.043 232 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 232 L C 2.030 178.943 176.870 0.072 0.000 1.075 232 L CA 2.092 56.962 54.840 0.050 0.000 0.752 232 L CB -1.088 40.991 42.059 0.034 0.000 0.891 232 L HN 0.041 nan 8.230 nan 0.000 0.432 233 A N -0.573 122.323 122.820 0.127 0.000 2.066 233 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 233 A C 2.432 180.122 177.584 0.177 0.000 1.157 233 A CA 1.197 53.340 52.037 0.177 0.000 0.670 233 A CB -0.456 18.689 19.000 0.240 0.000 0.804 233 A HN 0.511 nan 8.150 nan 0.000 0.453 234 R N -0.578 119.997 120.500 0.125 0.000 2.066 234 R HA -0.065 4.275 4.340 -0.000 0.000 0.224 234 R C 1.927 178.172 176.300 -0.092 0.000 1.122 234 R CA 1.327 57.356 56.100 -0.118 0.000 0.974 234 R CB -0.197 30.021 30.300 -0.136 0.000 0.871 234 R HN 0.331 nan 8.270 nan 0.000 0.435 235 E N 0.969 121.153 120.200 -0.027 0.000 2.267 235 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 235 E C 1.656 178.248 176.600 -0.015 0.000 0.998 235 E CA 1.390 57.778 56.400 -0.020 0.000 0.830 235 E CB 0.080 29.780 29.700 -0.000 0.000 0.751 235 E HN 0.429 nan 8.360 nan 0.000 0.491 236 Q N -0.740 119.060 119.800 -0.001 0.000 2.311 236 Q HA 0.000 4.340 4.340 -0.000 0.000 0.203 236 Q C 2.031 178.024 176.000 -0.011 0.000 0.954 236 Q CA 0.752 56.557 55.803 0.004 0.000 0.885 236 Q CB 0.102 28.856 28.738 0.027 0.000 0.963 236 Q HN 0.404 nan 8.270 nan 0.000 0.471 237 I N 0.179 120.726 120.570 -0.039 0.000 2.286 237 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 237 I C 2.296 178.382 176.117 -0.051 0.000 1.104 237 I CA 1.030 62.293 61.300 -0.063 0.000 1.397 237 I CB -0.201 37.716 38.000 -0.139 0.000 1.072 237 I HN 0.108 nan 8.210 nan 0.000 0.417 238 R N 0.511 120.978 120.500 -0.054 0.000 2.091 238 R HA -0.246 4.094 4.340 -0.000 0.000 0.238 238 R C 2.338 178.628 176.300 -0.018 0.000 1.136 238 R CA 1.733 57.812 56.100 -0.035 0.000 0.959 238 R CB -0.441 29.837 30.300 -0.037 0.000 0.856 238 R HN 0.479 nan 8.270 nan 0.000 0.437 239 Q N 0.491 120.281 119.800 -0.017 0.000 2.170 239 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 239 Q C 1.920 177.909 176.000 -0.018 0.000 0.976 239 Q CA 1.585 57.380 55.803 -0.014 0.000 0.858 239 Q CB -0.036 28.694 28.738 -0.012 0.000 0.907 239 Q HN 0.362 nan 8.270 nan 0.000 0.433 240 A N 0.736 123.544 122.820 -0.019 0.000 1.898 240 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 240 A C 1.947 179.522 177.584 -0.015 0.000 1.181 240 A CA 1.491 53.513 52.037 -0.025 0.000 0.620 240 A CB -0.517 18.469 19.000 -0.023 0.000 0.819 240 A HN 0.542 nan 8.150 nan 0.000 0.442 241 Q N -0.411 119.397 119.800 0.014 0.000 2.226 241 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 241 Q C 1.058 177.115 176.000 0.094 0.000 0.975 241 Q CA 1.282 57.133 55.803 0.080 0.000 0.866 241 Q CB -0.173 28.595 28.738 0.050 0.000 0.915 241 Q HN 0.584 nan 8.270 nan 0.000 0.440 242 D N -0.287 120.132 120.400 0.032 0.000 2.263 242 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 242 D C 1.731 178.034 176.300 0.005 0.000 0.971 242 D CA 1.100 55.112 54.000 0.021 0.000 0.867 242 D CB -0.435 40.358 40.800 -0.011 0.000 0.929 242 D HN 0.381 nan 8.370 nan 0.000 0.492 243 G N -0.677 108.098 108.800 -0.042 0.000 2.498 243 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 243 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 243 G C 1.287 176.122 174.900 -0.107 0.000 1.119 243 G CA 0.504 45.546 45.100 -0.096 0.000 0.766 243 G HN 0.395 nan 8.290 nan 0.000 0.552 244 H N -0.655 118.410 119.070 -0.007 0.000 2.403 244 H HA 0.235 4.791 4.556 -0.000 0.000 0.298 244 H C 1.147 176.483 175.328 0.013 0.000 1.059 244 H CA -0.155 55.897 56.048 0.006 0.000 1.363 244 H CB 0.092 29.861 29.762 0.012 0.000 1.410 244 H HN 0.158 nan 8.280 nan 0.000 0.528 245 L N 2.968 124.278 121.223 0.145 0.000 2.467 245 L HA 0.104 4.444 4.340 -0.000 0.000 0.270 245 L C -1.879 175.022 176.870 0.052 0.000 1.205 245 L CA -1.822 53.088 54.840 0.117 0.000 0.828 245 L CB 0.184 42.324 42.059 0.135 0.000 1.101 245 L HN 0.103 nan 8.230 nan 0.000 0.479 246 P HA 0.062 nan 4.420 nan 0.000 0.279 246 P C -0.636 176.598 177.300 -0.111 0.000 1.239 246 P CA -0.272 62.727 63.100 -0.169 0.000 0.789 246 P CB 1.241 32.760 31.700 -0.302 0.000 0.933 247 T N 2.723 117.135 114.554 -0.237 0.000 2.794 247 T HA 0.413 4.763 4.350 -0.000 0.000 0.280 247 T C -0.618 174.007 174.700 -0.124 0.000 0.987 247 T CA -0.813 61.230 62.100 -0.095 0.000 0.993 247 T CB 0.096 68.927 68.868 -0.061 0.000 0.939 247 T HN 0.294 nan 8.240 nan 0.000 0.449 248 L N 5.445 126.716 121.223 0.080 0.000 2.337 248 L HA 0.470 4.810 4.340 -0.000 0.000 0.269 248 L C -0.771 176.185 176.870 0.143 0.000 1.018 248 L CA -0.587 54.347 54.840 0.158 0.000 0.876 248 L CB 0.821 43.035 42.059 0.258 0.000 1.236 248 L HN 0.749 nan 8.230 nan 0.000 0.436 249 D N 3.705 124.168 120.400 0.105 0.000 2.487 249 D HA 0.527 5.167 4.640 -0.000 0.000 0.262 249 D C -0.719 175.631 176.300 0.082 0.000 1.130 249 D CA -0.309 53.740 54.000 0.082 0.000 1.038 249 D CB 2.855 43.686 40.800 0.052 0.000 1.142 249 D HN 0.339 nan 8.370 nan 0.000 0.575 250 L N 0.046 121.307 121.223 0.063 0.000 2.438 250 L HA 0.397 4.737 4.340 -0.000 0.000 0.270 250 L C -0.915 175.979 176.870 0.041 0.000 0.972 250 L CA -0.212 54.661 54.840 0.055 0.000 0.831 250 L CB 1.860 43.952 42.059 0.056 0.000 1.273 250 L HN 0.388 nan 8.230 nan 0.000 0.405 251 T N 2.068 116.644 114.554 0.038 0.000 2.940 251 T HA 0.943 5.293 4.350 -0.000 0.000 0.288 251 T C -0.528 174.188 174.700 0.026 0.000 1.033 251 T CA -0.581 61.537 62.100 0.029 0.000 1.033 251 T CB 1.955 70.840 68.868 0.028 0.000 1.079 251 T HN 0.818 nan 8.240 nan 0.000 0.496 252 A N 1.299 124.132 122.820 0.022 0.000 2.540 252 A HA 0.810 5.130 4.320 -0.000 0.000 0.297 252 A C -0.393 177.201 177.584 0.017 0.000 1.056 252 A CA -0.796 51.253 52.037 0.020 0.000 0.700 252 A CB 1.288 20.299 19.000 0.019 0.000 1.280 252 A HN 1.392 nan 8.150 nan 0.000 0.398 253 S N -0.079 115.631 115.700 0.017 0.000 2.625 253 S HA 0.877 5.347 4.470 -0.000 0.000 0.271 253 S C -0.635 173.974 174.600 0.015 0.000 1.161 253 S CA -0.136 58.074 58.200 0.016 0.000 0.820 253 S CB 1.839 65.048 63.200 0.016 0.000 1.137 253 S HN 2.040 nan 8.310 nan 0.000 0.470 254 T N -0.153 114.410 114.554 0.015 0.000 3.160 254 T HA 0.612 4.962 4.350 -0.000 0.000 0.344 254 T C -0.278 174.431 174.700 0.016 0.000 0.981 254 T CA 0.045 62.154 62.100 0.015 0.000 1.170 254 T CB -0.242 68.635 68.868 0.014 0.000 1.016 254 T HN 1.348 nan 8.240 nan 0.000 0.492 255 G N 4.760 113.570 108.800 0.017 0.000 2.461 255 G HA2 0.678 4.638 3.960 -0.000 0.000 0.323 255 G HA3 0.678 4.638 3.960 -0.000 0.000 0.323 255 G C -0.005 174.907 174.900 0.020 0.000 1.229 255 G CA -1.057 44.054 45.100 0.019 0.000 0.941 255 G HN 0.964 nan 8.290 nan 0.000 0.477 256 I N -0.086 120.497 120.570 0.022 0.000 2.677 256 I HA 0.827 4.997 4.170 -0.000 0.000 0.305 256 I C -0.095 176.038 176.117 0.027 0.000 0.988 256 I CA -0.814 60.500 61.300 0.024 0.000 1.260 256 I CB 2.063 40.078 38.000 0.025 0.000 1.410 256 I HN 0.495 nan 8.210 nan 0.000 0.523 257 S N 2.135 117.853 115.700 0.029 0.000 2.614 257 S HA 0.294 4.764 4.470 -0.000 0.000 0.259 257 S C -0.749 173.871 174.600 0.033 0.000 1.118 257 S CA -0.752 57.466 58.200 0.029 0.000 1.065 257 S CB 1.377 64.593 63.200 0.026 0.000 1.121 257 S HN 0.720 nan 8.310 nan 0.000 0.458 258 D N 2.740 123.160 120.400 0.033 0.000 1.825 258 D HA 0.374 5.014 4.640 -0.000 0.000 0.312 258 D C -0.188 176.131 176.300 0.032 0.000 1.066 258 D CA 1.416 55.438 54.000 0.038 0.000 0.826 258 D CB -0.372 40.454 40.800 0.043 0.000 1.144 258 D HN 0.990 nan 8.370 nan 0.000 0.392 259 T N -1.253 113.304 114.554 0.004 0.000 0.959 259 T HA 0.066 4.416 4.350 -0.000 0.000 0.736 259 T C -0.636 174.076 174.700 0.021 0.000 0.981 259 T CA 0.008 62.085 62.100 -0.038 0.000 3.883 259 T CB -1.499 67.373 68.868 0.006 0.000 2.209 259 T HN 0.383 nan 8.240 nan 0.000 0.407 260 S N 2.953 118.630 115.700 -0.038 0.000 2.519 260 S HA 0.796 5.266 4.470 -0.000 0.000 0.309 260 S C -0.521 174.064 174.600 -0.026 0.000 1.100 260 S CA -0.835 57.396 58.200 0.052 0.000 1.059 260 S CB 1.017 64.248 63.200 0.052 0.000 1.008 260 S HN 0.516 nan 8.310 nan 0.000 0.478 261 Y N 2.172 122.493 120.300 0.034 0.000 2.392 261 Y HA 0.756 5.306 4.550 -0.000 0.000 0.323 261 Y C 1.155 177.060 175.900 0.008 0.000 1.291 261 Y CA 0.052 58.154 58.100 0.005 0.000 1.345 261 Y CB 1.597 40.055 38.460 -0.004 0.000 1.320 261 Y HN 1.088 nan 8.280 nan 0.000 0.518 262 S N -0.758 115.025 115.700 0.139 0.000 2.656 262 S HA 0.707 5.177 4.470 -0.000 0.000 0.265 262 S C -0.411 174.219 174.600 0.051 0.000 1.132 262 S CA -0.242 58.010 58.200 0.085 0.000 0.819 262 S CB 0.958 64.204 63.200 0.076 0.000 1.119 262 S HN 1.933 nan 8.310 nan 0.000 0.476 263 G N 1.246 110.072 108.800 0.044 0.000 2.587 263 G HA2 0.019 3.979 3.960 -0.000 0.000 0.212 263 G HA3 0.019 3.979 3.960 -0.000 0.000 0.212 263 G C 0.810 175.723 174.900 0.022 0.000 1.327 263 G CA 0.705 45.823 45.100 0.030 0.000 0.898 263 G HN 2.190 nan 8.290 nan 0.000 0.551 264 S N -0.169 115.540 115.700 0.015 0.000 2.348 264 S HA 0.013 4.483 4.470 -0.000 0.000 0.219 264 S C 1.707 176.317 174.600 0.016 0.000 1.033 264 S CA 2.048 60.258 58.200 0.017 0.000 0.974 264 S CB -0.135 63.076 63.200 0.017 0.000 0.868 264 S HN 1.210 nan 8.310 nan 0.000 0.459 265 K N 2.022 122.424 120.400 0.004 0.000 3.100 265 K HA 0.221 4.541 4.320 -0.000 0.000 0.256 265 K C 0.522 177.135 176.600 0.021 0.000 1.146 265 K CA 0.368 56.665 56.287 0.017 0.000 1.233 265 K CB -0.548 31.964 32.500 0.020 0.000 1.226 265 K HN 0.535 nan 8.250 nan 0.000 0.442 266 T N -1.848 112.725 114.554 0.032 0.000 3.040 266 T HA 0.204 4.554 4.350 -0.000 0.000 0.252 266 T C 0.701 175.485 174.700 0.140 0.000 1.064 266 T CA 0.091 62.232 62.100 0.067 0.000 1.110 266 T CB 0.138 69.037 68.868 0.051 0.000 0.921 266 T HN 0.106 nan 8.240 nan 0.000 0.480 267 R N 0.642 121.196 120.500 0.090 0.000 3.067 267 R HA 0.657 4.997 4.340 -0.000 0.000 0.222 267 R C 0.340 176.673 176.300 0.055 0.000 1.551 267 R CA -0.107 56.033 56.100 0.067 0.000 1.034 267 R CB -0.448 29.880 30.300 0.045 0.000 1.889 267 R HN 0.269 nan 8.270 nan 0.000 0.526 268 G N 0.332 109.151 108.800 0.031 0.000 2.344 268 G HA2 0.149 4.109 3.960 -0.000 0.000 0.204 268 G HA3 0.149 4.109 3.960 -0.000 0.000 0.204 268 G C 0.574 175.487 174.900 0.022 0.000 0.347 268 G CA 0.979 46.092 45.100 0.022 0.000 1.000 268 G HN 1.383 nan 8.290 nan 0.000 0.408 269 A N -0.574 122.250 122.820 0.007 0.000 3.330 269 A HA 0.132 4.452 4.320 -0.000 0.000 0.248 269 A C 2.200 179.775 177.584 -0.014 0.000 1.237 269 A CA 1.965 54.002 52.037 -0.001 0.000 1.268 269 A CB -1.662 17.343 19.000 0.009 0.000 1.128 269 A HN 2.670 nan 8.150 nan 0.000 0.922 270 A N -0.401 122.408 122.820 -0.018 0.000 1.864 270 A HA 0.551 4.871 4.320 -0.000 0.000 0.213 270 A C 2.521 180.011 177.584 -0.157 0.000 1.266 270 A CA 1.799 53.779 52.037 -0.096 0.000 0.612 270 A CB -0.792 18.194 19.000 -0.023 0.000 0.940 270 A HN 2.689 nan 8.150 nan 0.000 0.463 271 G N -1.587 107.147 108.800 -0.109 0.000 2.623 271 G HA2 0.130 4.090 3.960 -0.000 0.000 0.281 271 G HA3 0.130 4.090 3.960 -0.000 0.000 0.281 271 G C 0.577 175.400 174.900 -0.128 0.000 1.087 271 G CA 0.675 45.716 45.100 -0.099 0.000 1.244 271 G HN 1.449 nan 8.290 nan 0.000 0.544 272 T N -1.113 113.373 114.554 -0.114 0.000 10.376 272 T HA -0.398 3.952 4.350 -0.000 0.000 0.366 272 T C 2.015 176.612 174.700 -0.171 0.000 1.790 272 T CA 2.747 64.782 62.100 -0.109 0.000 2.837 272 T CB -1.123 67.697 68.868 -0.080 0.000 2.485 272 T HN 1.615 nan 8.240 nan 0.000 0.947 273 Q N 0.277 119.903 119.800 -0.290 0.000 2.291 273 Q HA -0.086 4.254 4.340 -0.000 0.000 0.205 273 Q C 0.582 176.236 176.000 -0.576 0.000 0.970 273 Q CA 1.431 56.974 55.803 -0.434 0.000 0.876 273 Q CB -0.070 28.320 28.738 -0.580 0.000 0.935 273 Q HN 0.768 nan 8.270 nan 0.000 0.455 274 Y N 0.924 121.007 120.300 -0.362 0.000 2.736 274 Y HA 0.355 4.905 4.550 -0.000 0.000 0.293 274 Y C -0.258 175.436 175.900 -0.343 0.000 1.062 274 Y CA -1.283 56.412 58.100 -0.675 0.000 1.247 274 Y CB 0.177 38.276 38.460 -0.601 0.000 1.200 274 Y HN 0.075 nan 8.280 nan 0.000 0.552 275 D N 0.415 120.773 120.400 -0.070 0.000 2.063 275 D HA 0.044 4.684 4.640 -0.000 0.000 0.289 275 D C -0.482 175.897 176.300 0.132 0.000 1.111 275 D CA 0.671 54.691 54.000 0.034 0.000 1.023 275 D CB 0.338 41.145 40.800 0.012 0.000 1.152 275 D HN -0.007 nan 8.370 nan 0.000 0.465 276 D N -0.600 119.867 120.400 0.113 0.000 2.462 276 D HA 0.327 4.966 4.640 -0.000 0.000 0.245 276 D C -0.968 175.395 176.300 0.105 0.000 1.122 276 D CA -0.342 53.741 54.000 0.139 0.000 0.864 276 D CB 1.089 41.949 40.800 0.101 0.000 1.098 276 D HN 0.044 nan 8.370 nan 0.000 0.541 277 S N 2.239 118.017 115.700 0.130 0.000 2.565 277 S HA 0.466 4.936 4.470 -0.000 0.000 0.274 277 S C 0.184 174.831 174.600 0.078 0.000 1.309 277 S CA -0.883 57.371 58.200 0.090 0.000 1.043 277 S CB 1.195 64.450 63.200 0.091 0.000 0.939 277 S HN 0.234 nan 8.310 nan 0.000 0.504 278 N N 2.047 120.780 118.700 0.056 0.000 2.765 278 N HA 0.240 4.980 4.740 -0.000 0.000 0.277 278 N C -0.449 175.084 175.510 0.038 0.000 1.750 278 N CA -0.253 52.825 53.050 0.046 0.000 0.827 278 N CB 0.551 39.062 38.487 0.041 0.000 1.200 278 N HN 0.573 nan 8.380 nan 0.000 0.494 279 M N 0.095 119.718 119.600 0.039 0.000 2.131 279 M HA 0.345 4.825 4.480 -0.000 0.000 0.283 279 M C 1.023 177.339 176.300 0.027 0.000 1.225 279 M CA 0.131 55.450 55.300 0.032 0.000 1.153 279 M CB 0.115 32.735 32.600 0.034 0.000 1.380 279 M HN 0.295 nan 8.290 nan 0.000 0.458 280 G N 0.940 109.754 108.800 0.023 0.000 2.728 280 G HA2 0.502 4.462 3.960 -0.000 0.000 0.294 280 G HA3 0.502 4.462 3.960 -0.000 0.000 0.294 280 G C -1.542 173.369 174.900 0.018 0.000 1.398 280 G CA -0.574 44.538 45.100 0.020 0.000 1.183 280 G HN 0.500 nan 8.290 nan 0.000 0.578 281 Q N 0.887 120.698 119.800 0.018 0.000 2.359 281 Q HA 0.447 4.787 4.340 -0.000 0.000 0.274 281 Q C -1.271 174.738 176.000 0.016 0.000 1.074 281 Q CA -0.892 54.921 55.803 0.017 0.000 0.810 281 Q CB 2.843 31.591 28.738 0.017 0.000 1.342 281 Q HN 0.516 nan 8.270 nan 0.000 0.427 282 N N 1.514 120.223 118.700 0.015 0.000 2.448 282 N HA 0.392 5.132 4.740 -0.000 0.000 0.279 282 N C -1.231 174.288 175.510 0.015 0.000 1.025 282 N CA -0.423 52.636 53.050 0.015 0.000 0.898 282 N CB 1.455 39.950 38.487 0.013 0.000 1.303 282 N HN 0.209 nan 8.380 nan 0.000 0.495 283 K N 0.142 120.552 120.400 0.016 0.000 2.267 283 K HA 0.780 5.100 4.320 -0.000 0.000 0.246 283 K C -0.904 175.707 176.600 0.019 0.000 0.954 283 K CA -0.926 55.372 56.287 0.017 0.000 0.824 283 K CB 2.065 34.575 32.500 0.018 0.000 1.167 283 K HN 0.243 nan 8.250 nan 0.000 0.431 284 V N -1.040 118.885 119.914 0.020 0.000 2.532 284 V HA 0.785 4.905 4.120 -0.000 0.000 0.294 284 V C -0.298 175.811 176.094 0.026 0.000 1.036 284 V CA -0.891 61.422 62.300 0.023 0.000 0.876 284 V CB 1.362 33.198 31.823 0.022 0.000 1.012 284 V HN 0.791 nan 8.190 nan 0.000 0.432 285 G N 3.547 112.365 108.800 0.030 0.000 2.498 285 G HA2 0.790 4.750 3.960 -0.000 0.000 0.312 285 G HA3 0.790 4.750 3.960 -0.000 0.000 0.312 285 G C -1.353 173.574 174.900 0.046 0.000 1.230 285 G CA -1.036 44.085 45.100 0.035 0.000 0.968 285 G HN 0.757 nan 8.290 nan 0.000 0.481 286 L N 1.377 122.632 121.223 0.054 0.000 2.343 286 L HA 0.408 4.748 4.340 -0.000 0.000 0.278 286 L C 0.374 177.303 176.870 0.098 0.000 0.996 286 L CA -0.606 54.280 54.840 0.076 0.000 0.831 286 L CB 1.900 44.005 42.059 0.077 0.000 1.232 286 L HN 0.439 nan 8.230 nan 0.000 0.413 287 S N 2.388 118.152 115.700 0.107 0.000 2.610 287 S HA 0.613 5.083 4.470 -0.000 0.000 0.273 287 S C -0.967 173.757 174.600 0.206 0.000 1.274 287 S CA -0.197 58.078 58.200 0.126 0.000 1.023 287 S CB 0.766 64.015 63.200 0.081 0.000 0.962 287 S HN 0.357 nan 8.310 nan 0.000 0.523 288 F N 2.035 122.008 119.950 0.039 0.000 2.573 288 F HA 0.533 5.060 4.527 -0.000 0.000 0.316 288 F C -0.496 175.331 175.800 0.044 0.000 1.148 288 F CA -0.267 57.760 58.000 0.045 0.000 0.940 288 F CB 1.647 40.668 39.000 0.035 0.000 1.214 288 F HN 0.431 nan 8.300 nan 0.000 0.448 289 S N 6.526 121.989 115.700 -0.395 0.000 2.647 289 S HA 0.608 5.078 4.470 -0.000 0.000 0.300 289 S C -1.719 172.675 174.600 -0.343 0.000 1.129 289 S CA -0.635 57.430 58.200 -0.224 0.000 1.029 289 S CB 1.276 64.410 63.200 -0.110 0.000 1.007 289 S HN 0.654 nan 8.310 nan 0.000 0.484 290 L N 6.391 127.538 121.223 -0.128 0.000 2.342 290 L HA 0.444 4.784 4.340 -0.000 0.000 0.276 290 L C -1.837 175.048 176.870 0.025 0.000 0.997 290 L CA -1.957 52.857 54.840 -0.043 0.000 0.838 290 L CB 1.699 43.815 42.059 0.096 0.000 1.224 290 L HN 0.482 nan 8.230 nan 0.000 0.416 291 P HA -0.127 nan 4.420 nan 0.000 0.214 291 P C 1.171 178.519 177.300 0.081 0.000 1.169 291 P CA 1.493 64.613 63.100 0.032 0.000 0.908 291 P CB 0.438 32.142 31.700 0.007 0.000 0.791 292 I N -6.800 113.842 120.570 0.120 0.000 4.608 292 I HA -0.371 3.799 4.170 -0.000 0.000 0.051 292 I C 0.352 176.617 176.117 0.247 0.000 0.619 292 I CA 1.847 63.243 61.300 0.159 0.000 0.844 292 I CB -0.971 37.107 38.000 0.130 0.000 0.772 292 I HN 0.037 nan 8.210 nan 0.000 0.161 293 Y N 1.439 121.761 120.300 0.036 0.000 2.299 293 Y HA 0.393 4.943 4.550 -0.000 0.000 0.318 293 Y C -0.396 175.508 175.900 0.006 0.000 1.205 293 Y CA -0.742 57.373 58.100 0.024 0.000 1.106 293 Y CB 1.052 39.529 38.460 0.028 0.000 1.246 293 Y HN 0.092 nan 8.280 nan 0.000 0.415 294 Q N 4.296 123.831 119.800 -0.441 0.000 2.165 294 Q HA 0.345 4.685 4.340 -0.000 0.000 0.245 294 Q C 0.963 176.679 176.000 -0.473 0.000 0.841 294 Q CA 0.223 55.816 55.803 -0.350 0.000 1.078 294 Q CB 1.509 30.126 28.738 -0.202 0.000 1.169 294 Q HN 1.107 nan 8.270 nan 0.000 0.475 295 G N 0.369 108.603 108.800 -0.943 0.000 2.141 295 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.231 295 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.231 295 G C 0.695 175.352 174.900 -0.405 0.000 0.984 295 G CA 0.008 44.748 45.100 -0.600 0.000 0.660 295 G HN 0.793 nan 8.290 nan 0.000 0.525 296 G N -0.752 107.763 108.800 -0.476 0.000 2.136 296 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.242 296 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.242 296 G C 1.127 175.943 174.900 -0.139 0.000 0.989 296 G CA 1.520 46.517 45.100 -0.171 0.000 0.682 296 G HN 1.474 nan 8.290 nan 0.000 0.522 297 M N -0.063 119.425 119.600 -0.186 0.000 2.084 297 M HA 0.019 4.499 4.480 -0.000 0.000 0.259 297 M C 1.535 177.758 176.300 -0.129 0.000 1.072 297 M CA 1.994 57.212 55.300 -0.136 0.000 1.107 297 M CB -0.259 32.255 32.600 -0.144 0.000 1.299 297 M HN 0.133 nan 8.290 nan 0.000 0.413 298 V N 2.193 121.997 119.914 -0.184 0.000 2.999 298 V HA -0.036 4.084 4.120 -0.000 0.000 0.307 298 V C 0.752 176.757 176.094 -0.147 0.000 1.084 298 V CA 0.564 62.730 62.300 -0.224 0.000 1.155 298 V CB 0.955 32.508 31.823 -0.449 0.000 0.975 298 V HN 0.877 nan 8.190 nan 0.000 0.490 299 N N 0.295 118.952 118.700 -0.071 0.000 1.605 299 N HA -0.208 4.532 4.740 -0.000 0.000 0.210 299 N C 1.615 177.122 175.510 -0.005 0.000 1.417 299 N CA 1.695 54.755 53.050 0.018 0.000 4.279 299 N CB -1.481 37.033 38.487 0.046 0.000 0.731 299 N HN 0.752 nan 8.380 nan 0.000 0.364 300 S N 0.544 116.235 115.700 -0.015 0.000 2.387 300 S HA -0.023 4.447 4.470 -0.000 0.000 0.226 300 S C 1.669 176.264 174.600 -0.008 0.000 1.026 300 S CA 2.110 60.308 58.200 -0.004 0.000 0.972 300 S CB -0.067 63.132 63.200 -0.001 0.000 0.814 300 S HN 0.452 nan 8.310 nan 0.000 0.477 301 Q N -0.039 119.744 119.800 -0.028 0.000 2.170 301 Q HA -0.039 4.301 4.340 -0.000 0.000 0.203 301 Q C 2.024 178.010 176.000 -0.023 0.000 0.976 301 Q CA 1.696 57.483 55.803 -0.027 0.000 0.858 301 Q CB -0.058 28.650 28.738 -0.050 0.000 0.907 301 Q HN 0.560 nan 8.270 nan 0.000 0.433 302 V N 0.172 120.068 119.914 -0.030 0.000 2.407 302 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 302 V C 1.863 177.916 176.094 -0.067 0.000 1.041 302 V CA 1.611 63.892 62.300 -0.033 0.000 1.040 302 V CB -0.309 31.511 31.823 -0.005 0.000 0.671 302 V HN 0.241 nan 8.190 nan 0.000 0.455 303 K N -0.047 120.303 120.400 -0.083 0.000 2.057 303 K HA -0.192 4.127 4.320 -0.000 0.000 0.206 303 K C 2.323 178.807 176.600 -0.192 0.000 1.050 303 K CA 1.452 57.623 56.287 -0.195 0.000 0.935 303 K CB -0.229 32.184 32.500 -0.144 0.000 0.715 303 K HN 0.465 nan 8.250 nan 0.000 0.439 304 Q N 0.141 119.942 119.800 0.001 0.000 2.077 304 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 304 Q C 2.102 178.152 176.000 0.083 0.000 0.989 304 Q CA 1.940 57.805 55.803 0.103 0.000 0.853 304 Q CB -0.230 28.552 28.738 0.074 0.000 0.907 304 Q HN 0.384 nan 8.270 nan 0.000 0.418 305 A N 0.042 122.879 122.820 0.027 0.000 2.119 305 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 305 A C 1.819 179.437 177.584 0.057 0.000 1.153 305 A CA 1.102 53.164 52.037 0.041 0.000 0.692 305 A CB -0.186 18.820 19.000 0.011 0.000 0.799 305 A HN 0.327 nan 8.150 nan 0.000 0.458 306 Q N -1.676 118.111 119.800 -0.022 0.000 2.096 306 Q HA -0.061 4.279 4.340 -0.000 0.000 0.197 306 Q C 1.663 177.730 176.000 0.111 0.000 0.964 306 Q CA 1.468 57.262 55.803 -0.015 0.000 0.838 306 Q CB -0.224 28.405 28.738 -0.180 0.000 0.906 306 Q HN 0.862 nan 8.270 nan 0.000 0.444 307 Y N 0.300 120.664 120.300 0.107 0.000 2.181 307 Y HA -0.229 4.321 4.550 -0.000 0.000 0.288 307 Y C 2.360 178.303 175.900 0.071 0.000 1.146 307 Y CA 0.606 58.753 58.100 0.078 0.000 1.164 307 Y CB -0.089 38.400 38.460 0.048 0.000 0.982 307 Y HN 0.261 nan 8.280 nan 0.000 0.515 308 N N 0.371 119.216 118.700 0.241 0.000 2.258 308 N HA -0.234 4.506 4.740 -0.000 0.000 0.187 308 N C 1.697 177.303 175.510 0.161 0.000 1.012 308 N CA 1.234 54.379 53.050 0.158 0.000 0.870 308 N CB -0.271 38.292 38.487 0.128 0.000 0.977 308 N HN 0.331 nan 8.380 nan 0.000 0.434 309 F N 1.424 121.408 119.950 0.056 0.000 2.187 309 F HA -0.057 4.470 4.527 -0.000 0.000 0.295 309 F C 2.326 178.153 175.800 0.045 0.000 1.091 309 F CA 1.050 59.071 58.000 0.036 0.000 1.308 309 F CB -0.805 38.205 39.000 0.015 0.000 1.030 309 F HN -0.108 nan 8.300 nan 0.000 0.487 310 V N 0.691 120.554 119.914 -0.084 0.000 2.343 310 V HA -0.053 4.067 4.120 -0.000 0.000 0.247 310 V C 2.357 178.373 176.094 -0.131 0.000 1.051 310 V CA 2.304 64.509 62.300 -0.158 0.000 1.036 310 V CB -1.504 30.344 31.823 0.041 0.000 0.654 310 V HN 0.405 nan 8.190 nan 0.000 0.451 311 G N 0.061 108.839 108.800 -0.036 0.000 2.529 311 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 311 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 311 G C 1.762 176.623 174.900 -0.064 0.000 1.177 311 G CA 1.364 46.446 45.100 -0.029 0.000 0.773 311 G HN 1.029 nan 8.290 nan 0.000 0.573 312 A N 0.033 122.801 122.820 -0.087 0.000 2.119 312 A HA 0.200 4.520 4.320 -0.000 0.000 0.217 312 A C 2.600 180.090 177.584 -0.156 0.000 1.153 312 A CA 1.942 53.925 52.037 -0.089 0.000 0.692 312 A CB -0.224 18.753 19.000 -0.039 0.000 0.799 312 A HN 0.310 nan 8.150 nan 0.000 0.458 313 S N -0.206 115.332 115.700 -0.270 0.000 2.414 313 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 313 S C 1.769 176.286 174.600 -0.138 0.000 1.022 313 S CA 0.902 58.938 58.200 -0.273 0.000 0.958 313 S CB -0.125 62.816 63.200 -0.432 0.000 0.797 313 S HN 0.627 nan 8.310 nan 0.000 0.493 314 E N 1.794 121.930 120.200 -0.106 0.000 2.107 314 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 314 E C 1.928 178.508 176.600 -0.033 0.000 0.982 314 E CA 0.729 57.097 56.400 -0.054 0.000 0.809 314 E CB -0.386 29.290 29.700 -0.042 0.000 0.756 314 E HN 0.599 nan 8.360 nan 0.000 0.459 315 Q N 0.382 120.160 119.800 -0.036 0.000 2.291 315 Q HA -0.034 4.306 4.340 -0.000 0.000 0.206 315 Q C 2.202 178.198 176.000 -0.008 0.000 0.976 315 Q CA 0.486 56.279 55.803 -0.017 0.000 0.875 315 Q CB 0.042 28.771 28.738 -0.015 0.000 0.927 315 Q HN 0.233 nan 8.270 nan 0.000 0.450 316 L N 0.366 121.576 121.223 -0.021 0.000 2.127 316 L HA -0.107 4.233 4.340 -0.000 0.000 0.203 316 L C 2.102 178.987 176.870 0.026 0.000 1.080 316 L CA 1.321 56.156 54.840 -0.009 0.000 0.768 316 L CB -0.040 41.993 42.059 -0.042 0.000 0.924 316 L HN 0.163 nan 8.230 nan 0.000 0.444 317 E N -0.099 120.113 120.200 0.020 0.000 2.204 317 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 317 E C 2.059 178.704 176.600 0.075 0.000 0.989 317 E CA 1.431 57.872 56.400 0.068 0.000 0.824 317 E CB 0.084 29.805 29.700 0.035 0.000 0.756 317 E HN 0.329 nan 8.360 nan 0.000 0.477 318 S N -0.355 115.367 115.700 0.036 0.000 2.368 318 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 318 S C 1.912 176.531 174.600 0.032 0.000 1.029 318 S CA 0.940 59.154 58.200 0.023 0.000 0.988 318 S CB -0.255 62.951 63.200 0.009 0.000 0.838 318 S HN 0.504 nan 8.310 nan 0.000 0.462 319 A N 0.457 123.305 122.820 0.047 0.000 2.119 319 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 319 A C 1.753 179.387 177.584 0.084 0.000 1.152 319 A CA 1.464 53.530 52.037 0.049 0.000 0.708 319 A CB -0.616 18.409 19.000 0.042 0.000 0.805 319 A HN 0.600 nan 8.150 nan 0.000 0.460 320 H N 0.215 119.281 119.070 -0.007 0.000 2.294 320 H HA 0.055 4.611 4.556 -0.000 0.000 0.306 320 H C 2.142 177.468 175.328 -0.004 0.000 1.065 320 H CA 1.760 57.805 56.048 -0.006 0.000 1.343 320 H CB -0.212 29.545 29.762 -0.009 0.000 1.396 320 H HN 0.343 nan 8.280 nan 0.000 0.506 321 R N -0.277 120.125 120.500 -0.164 0.000 2.117 321 R HA -0.145 4.195 4.340 -0.000 0.000 0.243 321 R C 2.597 178.831 176.300 -0.110 0.000 1.143 321 R CA 1.415 57.403 56.100 -0.186 0.000 0.968 321 R CB -0.549 29.700 30.300 -0.085 0.000 0.863 321 R HN 0.273 nan 8.270 nan 0.000 0.444 322 S N 0.382 116.051 115.700 -0.051 0.000 2.402 322 S HA -0.082 4.388 4.470 -0.000 0.000 0.229 322 S C 2.026 176.611 174.600 -0.024 0.000 1.021 322 S CA 1.273 59.458 58.200 -0.024 0.000 0.974 322 S CB -0.025 63.174 63.200 -0.002 0.000 0.800 322 S HN 0.365 nan 8.310 nan 0.000 0.484 323 V N -1.145 118.752 119.914 -0.028 0.000 2.725 323 V HA 0.138 4.258 4.120 -0.000 0.000 0.247 323 V C 2.034 178.105 176.094 -0.038 0.000 1.058 323 V CA 1.017 63.309 62.300 -0.012 0.000 1.080 323 V CB -0.667 31.172 31.823 0.026 0.000 0.713 323 V HN 0.279 nan 8.190 nan 0.000 0.465 324 V N 0.780 120.630 119.914 -0.107 0.000 2.282 324 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 324 V C 2.904 178.963 176.094 -0.058 0.000 1.057 324 V CA 2.819 65.048 62.300 -0.119 0.000 1.032 324 V CB -0.713 30.973 31.823 -0.230 0.000 0.645 324 V HN 0.687 nan 8.190 nan 0.000 0.447 325 Q N -0.219 119.551 119.800 -0.050 0.000 2.046 325 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 325 Q C 2.243 178.246 176.000 0.004 0.000 0.975 325 Q CA 2.442 58.234 55.803 -0.018 0.000 0.836 325 Q CB -0.396 28.331 28.738 -0.018 0.000 0.896 325 Q HN 0.682 nan 8.270 nan 0.000 0.428 326 T N 0.767 115.323 114.554 0.003 0.000 2.833 326 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 326 T C 1.793 176.511 174.700 0.030 0.000 1.054 326 T CA 1.346 63.456 62.100 0.017 0.000 1.135 326 T CB -0.273 68.603 68.868 0.013 0.000 0.869 326 T HN 0.255 nan 8.240 nan 0.000 0.466 327 V N 1.084 121.012 119.914 0.024 0.000 2.446 327 V HA 0.042 4.162 4.120 -0.000 0.000 0.244 327 V C 2.392 178.534 176.094 0.078 0.000 1.039 327 V CA 1.071 63.394 62.300 0.038 0.000 1.045 327 V CB -0.325 31.503 31.823 0.009 0.000 0.681 327 V HN 0.270 nan 8.190 nan 0.000 0.459 328 R N 0.980 121.516 120.500 0.061 0.000 2.075 328 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 328 R C 2.583 178.979 176.300 0.161 0.000 1.126 328 R CA 1.722 57.890 56.100 0.114 0.000 0.963 328 R CB -0.559 29.774 30.300 0.055 0.000 0.858 328 R HN 0.764 nan 8.270 nan 0.000 0.435 329 S N -0.410 115.346 115.700 0.093 0.000 2.453 329 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 329 S C 1.966 176.611 174.600 0.076 0.000 1.005 329 S CA 0.972 59.216 58.200 0.073 0.000 0.949 329 S CB 0.187 63.413 63.200 0.043 0.000 0.774 329 S HN 0.051 nan 8.310 nan 0.000 0.510 330 S N 0.987 116.743 115.700 0.094 0.000 2.387 330 S HA 0.137 4.607 4.470 -0.000 0.000 0.226 330 S C 1.244 175.921 174.600 0.128 0.000 1.026 330 S CA 0.804 59.057 58.200 0.090 0.000 0.972 330 S CB -0.534 62.714 63.200 0.080 0.000 0.814 330 S HN 0.627 nan 8.310 nan 0.000 0.477 331 F N 3.075 123.033 119.950 0.014 0.000 2.102 331 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 331 F C 1.667 177.482 175.800 0.025 0.000 1.105 331 F CA 1.495 59.507 58.000 0.019 0.000 1.239 331 F CB -0.882 38.125 39.000 0.012 0.000 0.991 331 F HN 0.211 nan 8.300 nan 0.000 0.474 332 N N -0.078 118.579 118.700 -0.072 0.000 2.142 332 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 332 N C 1.353 176.788 175.510 -0.124 0.000 1.023 332 N CA 1.163 54.112 53.050 -0.168 0.000 0.852 332 N CB -0.228 38.248 38.487 -0.018 0.000 0.998 332 N HN 0.237 nan 8.380 nan 0.000 0.424 333 N N 1.075 119.751 118.700 -0.039 0.000 2.188 333 N HA -0.034 4.706 4.740 -0.000 0.000 0.184 333 N C 1.621 177.134 175.510 0.004 0.000 1.018 333 N CA 0.685 53.732 53.050 -0.005 0.000 0.858 333 N CB -0.136 38.366 38.487 0.025 0.000 0.989 333 N HN 0.292 nan 8.380 nan 0.000 0.426 334 I N 0.915 121.482 120.570 -0.004 0.000 2.252 334 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 334 I C 1.503 177.629 176.117 0.016 0.000 1.102 334 I CA 0.879 62.217 61.300 0.062 0.000 1.385 334 I CB -0.374 37.669 38.000 0.072 0.000 1.064 334 I HN 0.118 nan 8.210 nan 0.000 0.414 335 N N 1.500 120.116 118.700 -0.140 0.000 2.084 335 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 335 N C 1.940 177.387 175.510 -0.106 0.000 1.030 335 N CA 1.746 54.686 53.050 -0.183 0.000 0.849 335 N CB -0.363 37.903 38.487 -0.368 0.000 1.012 335 N HN 0.330 nan 8.380 nan 0.000 0.423 336 A N 0.568 123.335 122.820 -0.089 0.000 1.902 336 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 336 A C 2.490 180.064 177.584 -0.017 0.000 1.181 336 A CA 1.771 53.776 52.037 -0.053 0.000 0.623 336 A CB -0.707 18.270 19.000 -0.038 0.000 0.818 336 A HN 0.280 nan 8.150 nan 0.000 0.443 337 S N -0.180 115.535 115.700 0.025 0.000 2.382 337 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 337 S C 1.767 176.376 174.600 0.015 0.000 1.027 337 S CA 1.574 59.816 58.200 0.070 0.000 0.991 337 S CB -0.481 62.825 63.200 0.177 0.000 0.823 337 S HN 0.521 nan 8.310 nan 0.000 0.469 338 I N 1.043 121.593 120.570 -0.035 0.000 2.179 338 I HA -0.152 4.018 4.170 -0.000 0.000 0.242 338 I C 2.581 178.647 176.117 -0.085 0.000 1.088 338 I CA 0.951 62.180 61.300 -0.118 0.000 1.357 338 I CB -0.390 37.536 38.000 -0.124 0.000 1.051 338 I HN 0.167 nan 8.210 nan 0.000 0.409 339 S N -0.093 115.562 115.700 -0.074 0.000 2.370 339 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 339 S C 2.261 176.801 174.600 -0.099 0.000 1.033 339 S CA 1.765 59.915 58.200 -0.084 0.000 1.011 339 S CB -0.185 62.965 63.200 -0.083 0.000 0.852 339 S HN 0.396 nan 8.310 nan 0.000 0.457 340 S N 1.328 116.984 115.700 -0.072 0.000 2.356 340 S HA -0.036 4.434 4.470 -0.000 0.000 0.223 340 S C 1.775 176.370 174.600 -0.009 0.000 1.032 340 S CA 1.206 59.362 58.200 -0.074 0.000 1.005 340 S CB -0.418 62.826 63.200 0.073 0.000 0.867 340 S HN 0.423 nan 8.310 nan 0.000 0.449 341 I N 2.195 122.777 120.570 0.020 0.000 2.118 341 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 341 I C 2.038 178.156 176.117 0.001 0.000 1.070 341 I CA 1.453 62.769 61.300 0.026 0.000 1.327 341 I CB -0.599 37.402 38.000 0.002 0.000 1.034 341 I HN 0.317 nan 8.210 nan 0.000 0.405 342 N N 0.411 119.086 118.700 -0.040 0.000 2.166 342 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 342 N C 1.913 177.380 175.510 -0.072 0.000 1.019 342 N CA 1.178 54.197 53.050 -0.051 0.000 0.856 342 N CB -0.217 38.231 38.487 -0.064 0.000 0.993 342 N HN 0.375 nan 8.380 nan 0.000 0.426 343 A N 0.384 123.125 122.820 -0.132 0.000 1.873 343 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 343 A C 1.663 179.122 177.584 -0.208 0.000 1.186 343 A CA 1.111 53.014 52.037 -0.223 0.000 0.616 343 A CB -0.899 17.875 19.000 -0.377 0.000 0.823 343 A HN 0.389 nan 8.150 nan 0.000 0.442 344 Y N -0.317 119.948 120.300 -0.059 0.000 2.373 344 Y HA -0.070 4.479 4.550 -0.000 0.000 0.293 344 Y C 2.478 178.330 175.900 -0.080 0.000 1.129 344 Y CA 1.130 59.187 58.100 -0.071 0.000 1.226 344 Y CB 0.013 38.427 38.460 -0.077 0.000 1.000 344 Y HN 0.211 nan 8.280 nan 0.000 0.549 345 K N 0.056 120.487 120.400 0.052 0.000 2.002 345 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 345 K C 2.174 178.768 176.600 -0.011 0.000 1.048 345 K CA 1.591 57.881 56.287 0.005 0.000 0.930 345 K CB -0.189 32.309 32.500 -0.004 0.000 0.714 345 K HN 0.121 nan 8.250 nan 0.000 0.438 346 Q N 1.027 120.815 119.800 -0.022 0.000 2.045 346 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 346 Q C 1.791 177.777 176.000 -0.025 0.000 0.991 346 Q CA 2.336 58.120 55.803 -0.031 0.000 0.851 346 Q CB -0.643 28.066 28.738 -0.047 0.000 0.911 346 Q HN 0.322 nan 8.270 nan 0.000 0.418 347 A N -0.414 122.400 122.820 -0.011 0.000 1.873 347 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 347 A C 2.366 179.943 177.584 -0.012 0.000 1.193 347 A CA 2.225 54.269 52.037 0.010 0.000 0.629 347 A CB -1.174 17.885 19.000 0.098 0.000 0.826 347 A HN 0.288 nan 8.150 nan 0.000 0.447 348 V N -0.339 119.560 119.914 -0.026 0.000 2.317 348 V HA -0.297 3.823 4.120 -0.000 0.000 0.251 348 V C 2.564 178.615 176.094 -0.071 0.000 1.065 348 V CA 2.215 64.467 62.300 -0.079 0.000 1.049 348 V CB -0.995 30.767 31.823 -0.101 0.000 0.651 348 V HN 0.402 nan 8.190 nan 0.000 0.450 349 V N 0.908 120.794 119.914 -0.048 0.000 2.270 349 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 349 V C 2.700 178.772 176.094 -0.037 0.000 1.043 349 V CA 2.253 64.528 62.300 -0.041 0.000 1.014 349 V CB -0.948 30.857 31.823 -0.030 0.000 0.645 349 V HN 0.764 nan 8.190 nan 0.000 0.447 350 S N 1.514 117.195 115.700 -0.031 0.000 2.370 350 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 350 S C 2.116 176.699 174.600 -0.028 0.000 1.033 350 S CA 1.486 59.671 58.200 -0.026 0.000 1.011 350 S CB -0.764 62.422 63.200 -0.023 0.000 0.852 350 S HN 0.600 nan 8.310 nan 0.000 0.457 351 A N 1.449 124.246 122.820 -0.037 0.000 1.972 351 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 351 A C 2.299 179.852 177.584 -0.052 0.000 1.169 351 A CA 1.831 53.841 52.037 -0.045 0.000 0.635 351 A CB -0.856 18.107 19.000 -0.062 0.000 0.810 351 A HN 0.603 nan 8.150 nan 0.000 0.446 352 Q N -0.297 119.466 119.800 -0.061 0.000 2.187 352 Q HA -0.043 4.297 4.340 -0.000 0.000 0.199 352 Q C 2.114 178.097 176.000 -0.028 0.000 0.957 352 Q CA 1.987 57.756 55.803 -0.057 0.000 0.857 352 Q CB -0.411 28.287 28.738 -0.066 0.000 0.929 352 Q HN 0.508 nan 8.270 nan 0.000 0.453 353 S N -1.171 114.515 115.700 -0.024 0.000 2.395 353 S HA -0.058 4.412 4.470 -0.000 0.000 0.225 353 S C 1.973 176.569 174.600 -0.007 0.000 1.027 353 S CA 1.144 59.337 58.200 -0.013 0.000 0.965 353 S CB -0.564 62.628 63.200 -0.014 0.000 0.812 353 S HN 0.507 nan 8.310 nan 0.000 0.482 354 S N 0.865 116.559 115.700 -0.010 0.000 2.370 354 S HA -0.093 4.376 4.470 -0.000 0.000 0.226 354 S C 1.819 176.420 174.600 0.001 0.000 1.033 354 S CA 1.440 59.637 58.200 -0.005 0.000 1.011 354 S CB -0.651 62.544 63.200 -0.009 0.000 0.852 354 S HN 0.503 nan 8.310 nan 0.000 0.457 355 L N 2.381 123.602 121.223 -0.002 0.000 1.994 355 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 355 L C 1.733 178.615 176.870 0.020 0.000 1.071 355 L CA 2.307 57.152 54.840 0.009 0.000 0.745 355 L CB -1.312 40.750 42.059 0.006 0.000 0.892 355 L HN 0.206 nan 8.230 nan 0.000 0.431 356 D N 0.223 120.632 120.400 0.016 0.000 2.133 356 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 356 D C 2.160 178.477 176.300 0.027 0.000 0.997 356 D CA 1.661 55.675 54.000 0.023 0.000 0.840 356 D CB -0.310 40.499 40.800 0.014 0.000 0.947 356 D HN 0.538 nan 8.370 nan 0.000 0.452 357 A N 0.730 123.563 122.820 0.021 0.000 1.930 357 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 357 A C 2.154 179.759 177.584 0.036 0.000 1.175 357 A CA 1.141 53.192 52.037 0.024 0.000 0.627 357 A CB -0.307 18.702 19.000 0.015 0.000 0.815 357 A HN 0.055 nan 8.150 nan 0.000 0.443 358 M N 0.095 119.716 119.600 0.034 0.000 2.117 358 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 358 M C 1.902 178.254 176.300 0.086 0.000 1.065 358 M CA 1.376 56.701 55.300 0.042 0.000 1.114 358 M CB -1.487 31.122 32.600 0.015 0.000 1.361 358 M HN 0.522 nan 8.290 nan 0.000 0.408 359 E N 0.118 120.372 120.200 0.090 0.000 2.106 359 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 359 E C 2.103 178.782 176.600 0.132 0.000 0.984 359 E CA 1.202 57.689 56.400 0.145 0.000 0.806 359 E CB -0.176 29.590 29.700 0.111 0.000 0.750 359 E HN 0.474 nan 8.360 nan 0.000 0.458 360 A N 1.779 124.647 122.820 0.080 0.000 1.845 360 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 360 A C 2.547 180.169 177.584 0.063 0.000 1.195 360 A CA 1.900 53.969 52.037 0.053 0.000 0.616 360 A CB -1.367 17.654 19.000 0.035 0.000 0.832 360 A HN 0.345 nan 8.150 nan 0.000 0.443 361 G N -1.988 106.857 108.800 0.075 0.000 2.442 361 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 361 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 361 G C 1.553 176.533 174.900 0.133 0.000 1.141 361 G CA 1.192 46.340 45.100 0.080 0.000 0.763 361 G HN 0.645 nan 8.290 nan 0.000 0.554 362 Y N 2.229 122.533 120.300 0.006 0.000 2.102 362 Y HA -0.320 4.230 4.550 -0.000 0.000 0.280 362 Y C 3.098 179.002 175.900 0.007 0.000 1.178 362 Y CA 1.866 59.970 58.100 0.007 0.000 1.146 362 Y CB 0.042 38.507 38.460 0.008 0.000 0.968 362 Y HN 0.371 nan 8.280 nan 0.000 0.504 363 S N -0.635 115.015 115.700 -0.083 0.000 2.522 363 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 363 S C 1.223 175.766 174.600 -0.095 0.000 0.986 363 S CA 0.670 58.761 58.200 -0.181 0.000 0.929 363 S CB -0.357 62.770 63.200 -0.123 0.000 0.769 363 S HN 0.402 nan 8.310 nan 0.000 0.529 364 V N -3.069 116.824 119.914 -0.034 0.000 3.528 364 V HA 0.708 4.827 4.120 -0.000 0.000 0.294 364 V C 1.410 177.504 176.094 0.000 0.000 1.404 364 V CA 0.028 62.318 62.300 -0.016 0.000 1.065 364 V CB -0.739 31.084 31.823 -0.000 0.000 0.904 364 V HN 0.658 nan 8.190 nan 0.000 0.435 365 G N 1.501 110.310 108.800 0.016 0.000 2.157 365 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 365 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 365 G C 0.779 175.712 174.900 0.056 0.000 0.979 365 G CA 1.046 46.171 45.100 0.041 0.000 0.650 365 G HN 1.165 nan 8.290 nan 0.000 0.529 366 T N -2.780 111.809 114.554 0.057 0.000 3.069 366 T HA 0.559 4.909 4.350 -0.000 0.000 0.252 366 T C 0.940 175.674 174.700 0.057 0.000 1.053 366 T CA 0.293 62.422 62.100 0.048 0.000 0.964 366 T CB 0.627 69.515 68.868 0.033 0.000 1.005 366 T HN 0.385 nan 8.240 nan 0.000 0.532 367 R N 1.260 121.814 120.500 0.089 0.000 2.836 367 R HA 0.612 4.952 4.340 -0.000 0.000 0.269 367 R C -0.330 176.039 176.300 0.115 0.000 1.010 367 R CA -0.415 55.730 56.100 0.076 0.000 0.930 367 R CB 1.396 31.734 30.300 0.063 0.000 1.218 367 R HN 0.425 nan 8.270 nan 0.000 0.473 368 T N -2.616 111.942 114.554 0.007 0.000 2.938 368 T HA 0.276 4.626 4.350 -0.000 0.000 0.285 368 T C 1.315 175.752 174.700 -0.438 0.000 1.028 368 T CA -0.718 61.341 62.100 -0.069 0.000 1.005 368 T CB 0.966 69.807 68.868 -0.045 0.000 1.157 368 T HN 0.362 nan 8.240 nan 0.000 0.550 369 I N 0.989 121.125 120.570 -0.723 0.000 2.315 369 I HA -0.140 4.030 4.170 -0.000 0.000 0.251 369 I C 2.200 178.113 176.117 -0.340 0.000 1.125 369 I CA 1.269 62.114 61.300 -0.758 0.000 1.392 369 I CB -0.610 37.113 38.000 -0.462 0.000 1.065 369 I HN 0.631 nan 8.210 nan 0.000 0.424 370 V N 0.618 120.409 119.914 -0.205 0.000 2.295 370 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 370 V C 2.238 178.273 176.094 -0.098 0.000 1.049 370 V CA 2.132 64.364 62.300 -0.114 0.000 1.024 370 V CB -0.911 30.870 31.823 -0.070 0.000 0.648 370 V HN 0.397 nan 8.190 nan 0.000 0.447 371 D N 0.320 120.657 120.400 -0.104 0.000 2.104 371 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 371 D C 2.225 178.480 176.300 -0.075 0.000 0.994 371 D CA 1.662 55.619 54.000 -0.071 0.000 0.830 371 D CB -0.374 40.395 40.800 -0.053 0.000 0.959 371 D HN 0.347 nan 8.370 nan 0.000 0.452 372 V N 1.333 121.168 119.914 -0.133 0.000 2.287 372 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 372 V C 2.690 178.753 176.094 -0.051 0.000 1.053 372 V CA 1.373 63.614 62.300 -0.099 0.000 1.027 372 V CB -0.579 31.139 31.823 -0.175 0.000 0.646 372 V HN 0.155 nan 8.190 nan 0.000 0.447 373 L N -0.329 120.854 121.223 -0.066 0.000 2.156 373 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 373 L C 2.290 179.162 176.870 0.004 0.000 1.095 373 L CA 1.267 56.096 54.840 -0.018 0.000 0.770 373 L CB -0.753 41.291 42.059 -0.026 0.000 0.914 373 L HN 0.299 nan 8.230 nan 0.000 0.439 374 D N 0.502 120.895 120.400 -0.011 0.000 2.144 374 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 374 D C 2.268 178.576 176.300 0.014 0.000 0.984 374 D CA 1.544 55.545 54.000 0.001 0.000 0.834 374 D CB -0.015 40.779 40.800 -0.009 0.000 0.955 374 D HN 0.324 nan 8.370 nan 0.000 0.465 375 A N 0.267 123.093 122.820 0.010 0.000 1.968 375 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 375 A C 2.312 179.918 177.584 0.037 0.000 1.169 375 A CA 1.619 53.664 52.037 0.013 0.000 0.638 375 A CB -0.667 18.337 19.000 0.006 0.000 0.812 375 A HN 0.179 nan 8.150 nan 0.000 0.446 376 T N -0.119 114.477 114.554 0.070 0.000 2.746 376 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 376 T C 2.022 176.853 174.700 0.217 0.000 1.039 376 T CA 1.972 64.168 62.100 0.159 0.000 1.142 376 T CB -0.489 68.467 68.868 0.148 0.000 0.866 376 T HN 0.541 nan 8.240 nan 0.000 0.444 377 T N 1.879 116.507 114.554 0.125 0.000 2.674 377 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 377 T C 2.324 177.074 174.700 0.082 0.000 1.039 377 T CA 1.699 63.865 62.100 0.110 0.000 1.150 377 T CB -0.840 68.062 68.868 0.056 0.000 0.864 377 T HN 0.382 nan 8.240 nan 0.000 0.427 378 T N 2.722 117.300 114.554 0.040 0.000 2.653 378 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 378 T C 1.884 176.568 174.700 -0.027 0.000 1.035 378 T CA 1.394 63.499 62.100 0.009 0.000 1.154 378 T CB -0.647 68.222 68.868 0.002 0.000 0.862 378 T HN 0.129 nan 8.240 nan 0.000 0.441 379 L N 0.225 121.415 121.223 -0.054 0.000 1.971 379 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 379 L C 2.149 178.832 176.870 -0.311 0.000 1.072 379 L CA 1.869 56.594 54.840 -0.192 0.000 0.758 379 L CB -1.006 40.896 42.059 -0.262 0.000 0.889 379 L HN 0.316 nan 8.230 nan 0.000 0.433 380 Y N 0.025 120.273 120.300 -0.086 0.000 2.293 380 Y HA -0.163 4.387 4.550 -0.000 0.000 0.291 380 Y C 2.406 178.214 175.900 -0.154 0.000 1.137 380 Y CA 1.784 59.808 58.100 -0.127 0.000 1.202 380 Y CB -0.804 37.630 38.460 -0.044 0.000 0.990 380 Y HN 0.430 nan 8.280 nan 0.000 0.537 381 N N -0.255 118.445 118.700 -0.001 0.000 2.142 381 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 381 N C 2.048 177.465 175.510 -0.155 0.000 1.023 381 N CA 0.775 53.791 53.050 -0.056 0.000 0.852 381 N CB -0.271 38.202 38.487 -0.022 0.000 0.998 381 N HN 0.327 nan 8.380 nan 0.000 0.424 382 A N 1.701 124.432 122.820 -0.148 0.000 1.933 382 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 382 A C 2.048 179.466 177.584 -0.276 0.000 1.175 382 A CA 1.301 53.243 52.037 -0.160 0.000 0.628 382 A CB -0.256 18.700 19.000 -0.074 0.000 0.814 382 A HN 0.167 nan 8.150 nan 0.000 0.444 383 K N -0.838 119.346 120.400 -0.360 0.000 2.057 383 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 383 K C 2.381 178.664 176.600 -0.529 0.000 1.050 383 K CA 1.475 57.441 56.287 -0.536 0.000 0.935 383 K CB -0.172 31.798 32.500 -0.883 0.000 0.715 383 K HN 0.596 nan 8.250 nan 0.000 0.439 384 Q N 0.396 119.951 119.800 -0.409 0.000 2.046 384 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 384 Q C 1.946 177.820 176.000 -0.210 0.000 0.975 384 Q CA 1.072 56.771 55.803 -0.173 0.000 0.836 384 Q CB 0.109 28.808 28.738 -0.066 0.000 0.896 384 Q HN 0.178 nan 8.270 nan 0.000 0.428 385 E N 0.764 120.727 120.200 -0.394 0.000 2.086 385 E HA -0.215 4.135 4.350 -0.000 0.000 0.200 385 E C 1.937 178.184 176.600 -0.588 0.000 1.012 385 E CA 0.838 56.804 56.400 -0.723 0.000 0.812 385 E CB -0.408 28.395 29.700 -1.495 0.000 0.743 385 E HN 0.193 nan 8.360 nan 0.000 0.453 386 L N 0.690 121.672 121.223 -0.402 0.000 1.994 386 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 386 L C 2.161 178.933 176.870 -0.164 0.000 1.071 386 L CA 2.391 57.129 54.840 -0.170 0.000 0.745 386 L CB -1.184 40.799 42.059 -0.126 0.000 0.892 386 L HN 0.063 nan 8.230 nan 0.000 0.431 387 A N -0.445 122.298 122.820 -0.128 0.000 1.883 387 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 387 A C 2.303 179.851 177.584 -0.061 0.000 1.186 387 A CA 1.965 53.950 52.037 -0.088 0.000 0.624 387 A CB -1.127 17.975 19.000 0.170 0.000 0.822 387 A HN 0.712 nan 8.150 nan 0.000 0.444 388 N N 0.223 118.933 118.700 0.017 0.000 2.149 388 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 388 N C 1.866 177.401 175.510 0.042 0.000 1.019 388 N CA 1.377 54.475 53.050 0.081 0.000 0.857 388 N CB -0.184 38.314 38.487 0.018 0.000 0.997 388 N HN 0.413 nan 8.380 nan 0.000 0.426 389 A N 1.285 124.092 122.820 -0.022 0.000 1.969 389 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 389 A C 2.256 179.833 177.584 -0.011 0.000 1.169 389 A CA 0.752 52.805 52.037 0.026 0.000 0.635 389 A CB -0.296 18.754 19.000 0.084 0.000 0.810 389 A HN 0.320 nan 8.150 nan 0.000 0.445 390 R N -1.729 118.648 120.500 -0.205 0.000 2.073 390 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 390 R C 1.982 178.129 176.300 -0.255 0.000 1.120 390 R CA 1.651 57.533 56.100 -0.364 0.000 0.967 390 R CB -0.482 29.248 30.300 -0.950 0.000 0.862 390 R HN 0.716 nan 8.270 nan 0.000 0.436 391 Y N 0.892 121.105 120.300 -0.146 0.000 2.181 391 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 391 Y C 2.129 177.959 175.900 -0.116 0.000 1.146 391 Y CA 1.159 59.139 58.100 -0.200 0.000 1.164 391 Y CB -0.306 38.078 38.460 -0.127 0.000 0.982 391 Y HN 0.188 nan 8.280 nan 0.000 0.515 392 N N -0.724 118.045 118.700 0.116 0.000 2.166 392 N HA -0.258 4.482 4.740 -0.000 0.000 0.186 392 N C 1.711 177.280 175.510 0.099 0.000 1.019 392 N CA 1.173 54.281 53.050 0.096 0.000 0.856 392 N CB -0.362 38.182 38.487 0.095 0.000 0.993 392 N HN 0.325 nan 8.380 nan 0.000 0.426 393 Y N 2.215 122.518 120.300 0.004 0.000 2.097 393 Y HA -0.174 4.376 4.550 -0.000 0.000 0.282 393 Y C 2.005 177.914 175.900 0.015 0.000 1.152 393 Y CA 1.432 59.548 58.100 0.027 0.000 1.136 393 Y CB -0.590 37.923 38.460 0.088 0.000 0.975 393 Y HN -0.024 nan 8.280 nan 0.000 0.498 394 L N -0.478 120.594 121.223 -0.252 0.000 2.083 394 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 394 L C 2.314 179.087 176.870 -0.162 0.000 1.083 394 L CA 0.701 55.340 54.840 -0.335 0.000 0.752 394 L CB -0.634 41.190 42.059 -0.392 0.000 0.899 394 L HN 0.268 nan 8.230 nan 0.000 0.433 395 I N 0.249 120.777 120.570 -0.070 0.000 2.361 395 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 395 I C 2.105 178.223 176.117 0.002 0.000 1.133 395 I CA 1.304 62.625 61.300 0.037 0.000 1.413 395 I CB -1.204 36.841 38.000 0.075 0.000 1.073 395 I HN 0.338 nan 8.210 nan 0.000 0.424 396 N N 0.178 118.855 118.700 -0.038 0.000 2.416 396 N HA -0.074 4.666 4.740 -0.000 0.000 0.177 396 N C 1.746 177.220 175.510 -0.061 0.000 1.036 396 N CA 0.462 53.496 53.050 -0.026 0.000 0.901 396 N CB 0.010 38.496 38.487 -0.002 0.000 0.976 396 N HN 0.444 nan 8.380 nan 0.000 0.444 397 Q N 0.254 119.964 119.800 -0.151 0.000 2.084 397 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 397 Q C 1.653 177.616 176.000 -0.063 0.000 0.978 397 Q CA 0.897 56.612 55.803 -0.146 0.000 0.844 397 Q CB -0.143 28.445 28.738 -0.249 0.000 0.898 397 Q HN 0.230 nan 8.270 nan 0.000 0.426 398 L N 1.069 122.270 121.223 -0.037 0.000 2.141 398 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 398 L C 1.695 178.562 176.870 -0.005 0.000 1.094 398 L CA 1.573 56.408 54.840 -0.009 0.000 0.763 398 L CB -0.867 41.208 42.059 0.026 0.000 0.908 398 L HN 0.244 nan 8.230 nan 0.000 0.437 399 N N -0.937 117.765 118.700 0.003 0.000 2.331 399 N HA -0.095 4.645 4.740 -0.000 0.000 0.180 399 N C 1.956 177.473 175.510 0.012 0.000 1.019 399 N CA 0.553 53.610 53.050 0.011 0.000 0.881 399 N CB 0.084 38.583 38.487 0.019 0.000 0.972 399 N HN 0.268 nan 8.380 nan 0.000 0.435 400 I N 0.968 121.544 120.570 0.011 0.000 2.233 400 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 400 I C 2.032 178.155 176.117 0.010 0.000 1.093 400 I CA 0.913 62.225 61.300 0.020 0.000 1.380 400 I CB 0.155 38.174 38.000 0.033 0.000 1.067 400 I HN -0.015 nan 8.210 nan 0.000 0.413 401 K N 0.192 120.591 120.400 -0.002 0.000 2.057 401 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 401 K C 2.264 178.859 176.600 -0.008 0.000 1.049 401 K CA 1.311 57.593 56.287 -0.008 0.000 0.931 401 K CB -0.748 31.741 32.500 -0.019 0.000 0.714 401 K HN 0.193 nan 8.250 nan 0.000 0.440 402 S N 0.571 116.266 115.700 -0.008 0.000 2.359 402 S HA -0.186 4.284 4.470 -0.000 0.000 0.223 402 S C 1.951 176.551 174.600 0.001 0.000 1.039 402 S CA 1.683 59.879 58.200 -0.007 0.000 1.042 402 S CB -0.216 62.981 63.200 -0.005 0.000 0.915 402 S HN 0.396 nan 8.310 nan 0.000 0.439 403 A N 0.799 123.624 122.820 0.007 0.000 2.067 403 A HA 0.138 4.458 4.320 -0.000 0.000 0.219 403 A C 2.134 179.725 177.584 0.011 0.000 1.158 403 A CA 0.944 52.987 52.037 0.011 0.000 0.661 403 A CB -0.545 18.465 19.000 0.016 0.000 0.801 403 A HN 0.582 nan 8.150 nan 0.000 0.452 404 L N -1.829 119.399 121.223 0.008 0.000 2.093 404 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 404 L C 2.105 178.980 176.870 0.007 0.000 1.085 404 L CA 1.199 56.044 54.840 0.007 0.000 0.755 404 L CB -0.360 41.701 42.059 0.004 0.000 0.904 404 L HN 0.597 nan 8.230 nan 0.000 0.435 405 G N -0.938 107.865 108.800 0.004 0.000 2.231 405 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.206 405 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.206 405 G C 0.866 175.767 174.900 0.001 0.000 0.996 405 G CA 0.422 45.525 45.100 0.005 0.000 0.645 405 G HN 0.320 nan 8.290 nan 0.000 0.498 406 T N -0.628 113.925 114.554 -0.002 0.000 3.186 406 T HA 0.551 4.901 4.350 -0.000 0.000 0.257 406 T C 0.884 175.576 174.700 -0.014 0.000 1.029 406 T CA -0.155 61.942 62.100 -0.005 0.000 0.916 406 T CB 0.156 69.023 68.868 -0.002 0.000 1.041 406 T HN 0.468 nan 8.240 nan 0.000 0.562 407 L N 3.615 124.824 121.223 -0.022 0.000 2.369 407 L HA 0.409 4.749 4.340 -0.000 0.000 0.279 407 L C -0.421 176.418 176.870 -0.051 0.000 1.108 407 L CA -0.126 54.690 54.840 -0.040 0.000 0.852 407 L CB 0.023 42.054 42.059 -0.046 0.000 1.169 407 L HN 0.631 nan 8.230 nan 0.000 0.452 408 N N 1.408 120.073 118.700 -0.059 0.000 3.278 408 N HA 0.210 4.950 4.740 -0.000 0.000 0.307 408 N C 0.027 175.489 175.510 -0.081 0.000 1.551 408 N CA -0.853 52.165 53.050 -0.053 0.000 0.794 408 N CB 0.504 38.981 38.487 -0.016 0.000 1.770 408 N HN 0.336 nan 8.380 nan 0.000 0.612 409 E N -0.828 119.350 120.200 -0.037 0.000 2.268 409 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 409 E C 0.804 177.387 176.600 -0.029 0.000 0.995 409 E CA 0.877 57.261 56.400 -0.027 0.000 0.836 409 E CB -0.099 29.637 29.700 0.060 0.000 0.763 409 E HN 0.435 nan 8.360 nan 0.000 0.491 410 Q N 0.933 120.721 119.800 -0.020 0.000 2.079 410 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 410 Q C 1.664 177.648 176.000 -0.028 0.000 0.974 410 Q CA 1.101 56.895 55.803 -0.016 0.000 0.840 410 Q CB -0.275 28.458 28.738 -0.008 0.000 0.898 410 Q HN 0.313 nan 8.270 nan 0.000 0.430 411 D N 0.149 120.524 120.400 -0.041 0.000 2.144 411 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 411 D C 1.935 178.201 176.300 -0.057 0.000 0.984 411 D CA 0.549 54.522 54.000 -0.045 0.000 0.834 411 D CB -0.001 40.767 40.800 -0.052 0.000 0.955 411 D HN 0.127 nan 8.370 nan 0.000 0.465 412 L N 0.733 121.899 121.223 -0.096 0.000 2.217 412 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 412 L C 2.122 178.943 176.870 -0.081 0.000 1.107 412 L CA 0.521 55.286 54.840 -0.125 0.000 0.783 412 L CB -0.075 41.854 42.059 -0.217 0.000 0.919 412 L HN 0.054 nan 8.230 nan 0.000 0.442 413 L N -0.757 120.437 121.223 -0.049 0.000 2.027 413 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 413 L C 2.522 179.384 176.870 -0.013 0.000 1.074 413 L CA 1.997 56.821 54.840 -0.026 0.000 0.745 413 L CB -0.936 41.115 42.059 -0.013 0.000 0.898 413 L HN 0.336 nan 8.230 nan 0.000 0.433 414 A N 0.204 123.020 122.820 -0.008 0.000 1.865 414 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 414 A C 2.276 179.877 177.584 0.030 0.000 1.191 414 A CA 1.827 53.868 52.037 0.008 0.000 0.623 414 A CB -0.839 18.162 19.000 0.003 0.000 0.826 414 A HN 0.500 nan 8.150 nan 0.000 0.444 415 L N -0.850 120.395 121.223 0.037 0.000 2.042 415 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 415 L C 2.427 179.352 176.870 0.093 0.000 1.076 415 L CA 1.858 56.760 54.840 0.103 0.000 0.749 415 L CB -0.592 41.543 42.059 0.126 0.000 0.893 415 L HN 0.513 nan 8.230 nan 0.000 0.432 416 N N 0.341 119.046 118.700 0.009 0.000 2.381 416 N HA -0.161 4.579 4.740 -0.000 0.000 0.182 416 N C 1.268 176.796 175.510 0.030 0.000 1.025 416 N CA 0.927 53.969 53.050 -0.013 0.000 0.888 416 N CB -0.045 38.405 38.487 -0.063 0.000 0.965 416 N HN 0.352 nan 8.380 nan 0.000 0.438 417 N N -0.903 117.820 118.700 0.039 0.000 2.467 417 N HA 0.077 4.817 4.740 -0.000 0.000 0.184 417 N C 0.585 176.135 175.510 0.067 0.000 1.106 417 N CA 0.429 53.505 53.050 0.043 0.000 0.892 417 N CB 0.267 38.772 38.487 0.030 0.000 0.969 417 N HN 0.176 nan 8.380 nan 0.000 0.454 418 A N 0.320 123.199 122.820 0.100 0.000 2.423 418 A HA 0.286 4.606 4.320 -0.000 0.000 0.246 418 A C 0.264 177.949 177.584 0.167 0.000 1.278 418 A CA -0.163 51.955 52.037 0.135 0.000 0.903 418 A CB 0.065 19.166 19.000 0.168 0.000 0.997 418 A HN 0.077 nan 8.150 nan 0.000 0.510 419 L N -1.623 119.687 121.223 0.145 0.000 2.331 419 L HA 0.737 5.077 4.340 -0.000 0.000 0.268 419 L C 0.924 177.860 176.870 0.110 0.000 1.015 419 L CA -0.136 54.798 54.840 0.157 0.000 0.807 419 L CB 1.752 43.910 42.059 0.166 0.000 1.293 419 L HN 0.277 nan 8.230 nan 0.000 0.451 420 S N -0.099 115.665 115.700 0.106 0.000 5.444 420 S HA 0.116 4.586 4.470 -0.000 0.000 0.141 420 S C -0.575 174.065 174.600 0.068 0.000 1.258 420 S CA -0.321 57.925 58.200 0.076 0.000 1.126 420 S CB -0.169 63.072 63.200 0.067 0.000 2.053 420 S HN 0.610 nan 8.310 nan 0.000 0.692 421 K N 4.218 124.654 120.400 0.060 0.000 2.355 421 K HA 0.367 4.686 4.320 -0.000 0.000 0.270 421 K C -2.495 174.131 176.600 0.045 0.000 1.003 421 K CA -1.134 55.181 56.287 0.046 0.000 0.957 421 K CB 0.329 32.852 32.500 0.038 0.000 0.939 421 K HN 0.253 nan 8.250 nan 0.000 0.482 422 P HA -0.013 nan 4.420 nan 0.000 0.268 422 P C -1.015 176.292 177.300 0.013 0.000 1.204 422 P CA -0.282 62.833 63.100 0.024 0.000 0.768 422 P CB 0.852 32.563 31.700 0.019 0.000 0.842 423 V N 1.630 121.545 119.914 0.001 0.000 2.760 423 V HA 0.333 4.453 4.120 -0.000 0.000 0.309 423 V C 0.426 176.504 176.094 -0.027 0.000 1.077 423 V CA -0.832 61.460 62.300 -0.014 0.000 0.910 423 V CB 1.817 33.629 31.823 -0.020 0.000 1.008 423 V HN 0.674 nan 8.190 nan 0.000 0.424 424 S N 1.930 117.616 115.700 -0.024 0.000 2.565 424 S HA 0.222 4.692 4.470 -0.000 0.000 0.276 424 S C 1.127 175.712 174.600 -0.026 0.000 1.326 424 S CA 0.387 58.574 58.200 -0.021 0.000 1.045 424 S CB 1.266 64.462 63.200 -0.007 0.000 0.918 424 S HN 1.171 nan 8.310 nan 0.000 0.505 425 T N 0.499 115.042 114.554 -0.018 0.000 3.107 425 T HA 0.240 4.590 4.350 -0.000 0.000 0.249 425 T C 0.466 175.194 174.700 0.045 0.000 1.096 425 T CA -0.090 62.008 62.100 -0.003 0.000 1.012 425 T CB -0.675 68.192 68.868 -0.001 0.000 0.977 425 T HN 0.713 nan 8.240 nan 0.000 0.527 426 N N 1.835 120.563 118.700 0.047 0.000 2.697 426 N HA 0.240 4.980 4.740 -0.000 0.000 0.253 426 N C -2.885 172.642 175.510 0.028 0.000 1.604 426 N CA -0.955 52.129 53.050 0.057 0.000 0.772 426 N CB 1.409 39.965 38.487 0.116 0.000 1.267 426 N HN 0.228 nan 8.380 nan 0.000 0.510 427 P HA 0.340 nan 4.420 nan 0.000 0.302 427 P C -0.620 176.675 177.300 -0.007 0.000 1.307 427 P CA -0.116 62.982 63.100 -0.003 0.000 0.754 427 P CB 1.467 33.157 31.700 -0.016 0.000 1.298 428 E N 0.000 120.193 120.200 -0.012 0.000 2.725 428 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 428 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 428 E CB 0.000 29.689 29.700 -0.018 0.000 0.812 428 E HN 0.000 nan 8.360 nan 0.000 0.440