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 1e7m_1_A DATA FIRST_RESID 1 DATA SEQUENCE VSEIKTLVTF FGGTGDLAKR KLYPSVFNLY KKGYLQKHFA IVGTARQALN DATA SEQUENCE DDEFKQLVRD SIKDFTDDQA QAEAFIEHFS YRAHDVTDAA SYAVLKEAIE DATA SEQUENCE EAADKFDIDG NRIFYMSVAP RFFGTIAKYL KSEGLLADTG YNRLMIEKPF DATA SEQUENCE GTSYDTAAEL QNDLENAFDD NQLFRINHYL GKEMVQNIAA LRFGNPIFDA DATA SEQUENCE AWNKDYIKNV QVTLSEVLGV EERAGYYDTA GALLDMIQNH TMQIVGWLAM DATA SEQUENCE EKPESFTDKD IRAAKNAAFN ALKIYDEAEV NKYFVRAQYG AGDSADFKPY DATA SEQUENCE LEELDVPADS KNNTFIAGEL QFDLPRWEGV PFYVRSGKRL AAKQTRVDIV DATA SEQUENCE FKAGTFNFGS EQEAQEAVLS IIIDPKGAIE LKLNAKSVED AFNTRTIDLG DATA SEQUENCE WTVSDEDKKN TPEPYERMIH DTMNGDGSNF ADWNGVSIAW KFVDAISAVY DATA SEQUENCE TADKAPLETY KSGSMGPEAS DKLLAANGDA WVFKG 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.081 176.094 -0.022 0.000 1.182 1 V CA 0.000 62.239 62.300 -0.102 0.000 1.235 1 V CB 0.000 31.681 31.823 -0.237 0.000 1.184 2 S N 1.730 117.460 115.700 0.049 0.000 2.466 2 S HA 0.144 4.613 4.470 -0.000 0.000 0.286 2 S C 0.054 174.719 174.600 0.109 0.000 1.221 2 S CA 0.149 58.395 58.200 0.077 0.000 1.091 2 S CB -0.058 63.198 63.200 0.095 0.000 0.956 2 S HN 0.725 nan 8.310 nan 0.000 0.501 3 E N 3.235 123.484 120.200 0.081 0.000 2.442 3 E HA 0.049 4.399 4.350 -0.000 0.000 0.262 3 E C -0.629 176.046 176.600 0.124 0.000 1.004 3 E CA -0.004 56.455 56.400 0.098 0.000 0.928 3 E CB 0.414 30.177 29.700 0.105 0.000 0.937 3 E HN 0.513 nan 8.360 nan 0.000 0.446 4 I N 5.079 125.729 120.570 0.133 0.000 2.315 4 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 4 I C -0.059 176.149 176.117 0.151 0.000 1.006 4 I CA -0.660 60.724 61.300 0.139 0.000 1.265 4 I CB 1.043 39.117 38.000 0.124 0.000 1.387 4 I HN 0.236 nan 8.210 nan 0.000 0.475 5 K N 5.187 125.680 120.400 0.155 0.000 2.299 5 K HA 0.466 4.785 4.320 -0.000 0.000 0.268 5 K C -0.394 176.290 176.600 0.140 0.000 1.075 5 K CA -0.267 56.120 56.287 0.167 0.000 0.936 5 K CB 1.550 34.106 32.500 0.094 0.000 1.228 5 K HN 0.571 nan 8.250 nan 0.000 0.454 6 T N 2.105 116.762 114.554 0.171 0.000 2.868 6 T HA 0.540 4.889 4.350 -0.000 0.000 0.306 6 T C -1.778 172.984 174.700 0.102 0.000 1.224 6 T CA -0.714 61.448 62.100 0.104 0.000 1.012 6 T CB 1.329 70.293 68.868 0.160 0.000 1.221 6 T HN 0.500 nan 8.240 nan 0.000 0.499 7 L N 3.835 125.052 121.223 -0.010 0.000 2.406 7 L HA 0.761 5.100 4.340 -0.000 0.000 0.270 7 L C -1.274 175.508 176.870 -0.145 0.000 0.982 7 L CA -0.660 54.156 54.840 -0.041 0.000 0.843 7 L CB 1.308 43.332 42.059 -0.058 0.000 1.225 7 L HN 0.486 nan 8.230 nan 0.000 0.412 8 V N 2.735 122.572 119.914 -0.127 0.000 2.483 8 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 8 V C 0.084 175.999 176.094 -0.297 0.000 1.035 8 V CA -0.419 61.718 62.300 -0.272 0.000 0.896 8 V CB 1.736 33.394 31.823 -0.275 0.000 0.986 8 V HN 0.725 nan 8.190 nan 0.000 0.447 9 T N 5.055 119.405 114.554 -0.340 0.000 2.791 9 T HA 0.561 4.911 4.350 -0.000 0.000 0.288 9 T C -0.675 173.919 174.700 -0.176 0.000 0.999 9 T CA -0.054 61.944 62.100 -0.169 0.000 0.952 9 T CB 0.437 69.321 68.868 0.026 0.000 0.938 9 T HN 0.317 nan 8.240 nan 0.000 0.444 10 F N 3.136 123.146 119.950 0.100 0.000 2.335 10 F HA 0.442 4.969 4.527 -0.000 0.000 0.365 10 F C 0.059 175.934 175.800 0.125 0.000 1.122 10 F CA -1.307 56.813 58.000 0.200 0.000 1.151 10 F CB 0.084 39.214 39.000 0.217 0.000 1.282 10 F HN 0.506 nan 8.300 nan 0.000 0.513 11 F N 1.978 122.139 119.950 0.352 0.000 2.506 11 F HA 0.422 4.949 4.527 -0.000 0.000 0.371 11 F C 1.122 177.105 175.800 0.304 0.000 1.078 11 F CA -0.063 58.095 58.000 0.264 0.000 1.195 11 F CB 0.642 39.797 39.000 0.258 0.000 1.099 11 F HN 0.715 nan 8.300 nan 0.000 0.548 12 G N 2.456 111.470 108.800 0.356 0.000 2.164 12 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.212 12 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.212 12 G C 1.126 176.190 174.900 0.273 0.000 1.031 12 G CA -0.024 45.257 45.100 0.301 0.000 0.730 12 G HN 1.142 nan 8.290 nan 0.000 0.501 13 G N -0.138 108.841 108.800 0.299 0.000 2.470 13 G HA2 0.090 4.050 3.960 -0.000 0.000 0.220 13 G HA3 0.090 4.050 3.960 -0.000 0.000 0.220 13 G C 1.644 176.800 174.900 0.427 0.000 1.121 13 G CA 2.088 47.431 45.100 0.404 0.000 0.766 13 G HN 1.420 nan 8.290 nan 0.000 0.553 14 T N -1.650 113.094 114.554 0.317 0.000 3.107 14 T HA 0.376 4.726 4.350 -0.000 0.000 0.249 14 T C 1.392 176.196 174.700 0.173 0.000 1.096 14 T CA 0.188 62.440 62.100 0.254 0.000 1.012 14 T CB 0.523 69.506 68.868 0.192 0.000 0.977 14 T HN 0.260 nan 8.240 nan 0.000 0.527 15 G N 0.563 109.457 108.800 0.155 0.000 2.636 15 G HA2 0.174 4.134 3.960 -0.000 0.000 0.246 15 G HA3 0.174 4.134 3.960 -0.000 0.000 0.246 15 G C 0.338 175.278 174.900 0.066 0.000 1.216 15 G CA -0.411 44.757 45.100 0.112 0.000 0.854 15 G HN 0.114 nan 8.290 nan 0.000 0.572 16 D N -0.239 120.198 120.400 0.061 0.000 2.097 16 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 16 D C 2.530 178.825 176.300 -0.009 0.000 0.989 16 D CA 1.019 55.041 54.000 0.038 0.000 0.827 16 D CB 0.121 40.955 40.800 0.056 0.000 0.966 16 D HN 0.225 nan 8.370 nan 0.000 0.456 17 L N 1.219 122.437 121.223 -0.008 0.000 2.081 17 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 17 L C 2.172 178.887 176.870 -0.258 0.000 1.080 17 L CA 1.945 56.735 54.840 -0.083 0.000 0.754 17 L CB -0.710 41.347 42.059 -0.004 0.000 0.893 17 L HN -0.064 nan 8.230 nan 0.000 0.433 18 A N 0.513 123.158 122.820 -0.292 0.000 1.845 18 A HA -0.244 4.076 4.320 -0.000 0.000 0.215 18 A C 2.201 179.383 177.584 -0.670 0.000 1.195 18 A CA 2.109 53.738 52.037 -0.680 0.000 0.616 18 A CB -0.665 17.952 19.000 -0.638 0.000 0.832 18 A HN 0.654 nan 8.150 nan 0.000 0.443 19 K N -0.713 119.554 120.400 -0.222 0.000 2.439 19 K HA 0.008 4.328 4.320 -0.000 0.000 0.197 19 K C 1.915 178.483 176.600 -0.053 0.000 1.041 19 K CA 1.190 57.484 56.287 0.011 0.000 0.970 19 K CB -0.062 32.498 32.500 0.101 0.000 0.773 19 K HN 0.413 nan 8.250 nan 0.000 0.479 20 R N 0.930 121.370 120.500 -0.100 0.000 2.156 20 R HA 0.086 4.426 4.340 -0.000 0.000 0.207 20 R C 1.156 177.401 176.300 -0.092 0.000 1.040 20 R CA 0.897 56.964 56.100 -0.054 0.000 1.013 20 R CB 0.363 30.655 30.300 -0.014 0.000 0.931 20 R HN 0.108 nan 8.270 nan 0.000 0.465 21 K N -1.585 118.689 120.400 -0.210 0.000 2.703 21 K HA 0.136 4.456 4.320 -0.000 0.000 0.196 21 K C 1.500 177.900 176.600 -0.333 0.000 1.457 21 K CA -0.163 55.983 56.287 -0.234 0.000 1.115 21 K CB 0.101 32.454 32.500 -0.245 0.000 1.661 21 K HN -0.127 nan 8.250 nan 0.000 0.552 22 L N 1.031 121.940 121.223 -0.524 0.000 1.956 22 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 22 L C 2.231 178.886 176.870 -0.359 0.000 1.073 22 L CA 1.973 56.476 54.840 -0.561 0.000 0.762 22 L CB -0.950 40.541 42.059 -0.948 0.000 0.889 22 L HN 0.152 nan 8.230 nan 0.000 0.433 23 Y N -0.800 119.312 120.300 -0.314 0.000 2.114 23 Y HA -0.176 4.374 4.550 -0.000 0.000 0.282 23 Y C -0.056 175.790 175.900 -0.091 0.000 1.165 23 Y CA 0.940 58.949 58.100 -0.151 0.000 1.148 23 Y CB -2.531 35.825 38.460 -0.173 0.000 0.972 23 Y HN 0.277 nan 8.280 nan 0.000 0.504 24 P HA -0.116 nan 4.420 nan 0.000 0.216 24 P C 1.848 179.042 177.300 -0.177 0.000 1.153 24 P CA 2.332 65.184 63.100 -0.412 0.000 0.848 24 P CB 0.014 31.074 31.700 -1.066 0.000 0.787 25 S N -0.791 114.855 115.700 -0.090 0.000 2.383 25 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 25 S C 1.903 176.557 174.600 0.090 0.000 1.030 25 S CA 1.237 59.457 58.200 0.033 0.000 1.002 25 S CB -1.131 62.123 63.200 0.090 0.000 0.829 25 S HN -0.024 nan 8.310 nan 0.000 0.467 26 V N 1.018 121.035 119.914 0.171 0.000 2.667 26 V HA -0.063 4.056 4.120 -0.000 0.000 0.252 26 V C 1.840 178.063 176.094 0.216 0.000 1.065 26 V CA 1.184 63.650 62.300 0.276 0.000 1.083 26 V CB -0.716 31.401 31.823 0.490 0.000 0.692 26 V HN 0.455 nan 8.190 nan 0.000 0.468 27 F N 1.980 121.865 119.950 -0.110 0.000 2.113 27 F HA -0.094 4.432 4.527 -0.000 0.000 0.297 27 F C 2.287 177.913 175.800 -0.290 0.000 1.103 27 F CA 1.388 59.057 58.000 -0.552 0.000 1.248 27 F CB -0.674 38.090 39.000 -0.393 0.000 0.999 27 F HN 0.164 nan 8.300 nan 0.000 0.475 28 N N 0.975 119.568 118.700 -0.180 0.000 2.104 28 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 28 N C 2.082 177.504 175.510 -0.148 0.000 1.024 28 N CA 1.622 54.550 53.050 -0.203 0.000 0.853 28 N CB -0.565 37.905 38.487 -0.028 0.000 1.008 28 N HN 0.355 nan 8.380 nan 0.000 0.424 29 L N -0.536 120.643 121.223 -0.073 0.000 2.191 29 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 29 L C 2.241 179.085 176.870 -0.043 0.000 1.103 29 L CA 0.942 55.767 54.840 -0.026 0.000 0.769 29 L CB -0.443 41.557 42.059 -0.098 0.000 0.908 29 L HN 0.175 nan 8.230 nan 0.000 0.438 30 Y N 1.058 121.185 120.300 -0.287 0.000 2.206 30 Y HA -0.173 4.377 4.550 -0.000 0.000 0.292 30 Y C 2.528 178.251 175.900 -0.296 0.000 1.123 30 Y CA 1.366 59.283 58.100 -0.305 0.000 1.142 30 Y CB -0.033 38.199 38.460 -0.379 0.000 1.006 30 Y HN -0.039 nan 8.280 nan 0.000 0.518 31 K N 0.205 120.378 120.400 -0.379 0.000 2.063 31 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 31 K C 1.778 178.185 176.600 -0.320 0.000 1.048 31 K CA 1.765 57.807 56.287 -0.409 0.000 0.928 31 K CB -0.169 32.031 32.500 -0.500 0.000 0.713 31 K HN 0.228 nan 8.250 nan 0.000 0.442 32 K N -0.211 120.032 120.400 -0.262 0.000 2.555 32 K HA -0.008 4.311 4.320 -0.000 0.000 0.193 32 K C 0.745 177.051 176.600 -0.489 0.000 1.032 32 K CA 0.574 56.693 56.287 -0.279 0.000 1.004 32 K CB 0.245 32.688 32.500 -0.095 0.000 0.804 32 K HN 0.418 nan 8.250 nan 0.000 0.496 33 G N 0.768 109.307 108.800 -0.435 0.000 2.143 33 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.248 33 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.248 33 G C 0.363 175.013 174.900 -0.417 0.000 0.991 33 G CA 0.293 45.132 45.100 -0.435 0.000 0.689 33 G HN 0.294 nan 8.290 nan 0.000 0.522 34 Y N -0.311 119.859 120.300 -0.216 0.000 2.201 34 Y HA 0.365 4.915 4.550 -0.000 0.000 0.292 34 Y C 2.073 177.859 175.900 -0.190 0.000 1.119 34 Y CA 0.847 58.837 58.100 -0.183 0.000 1.127 34 Y CB -0.014 38.281 38.460 -0.275 0.000 1.019 34 Y HN 0.270 nan 8.280 nan 0.000 0.514 35 L N 1.195 122.339 121.223 -0.132 0.000 2.265 35 L HA 0.202 4.542 4.340 -0.000 0.000 0.288 35 L C 0.277 177.006 176.870 -0.236 0.000 1.058 35 L CA 0.039 54.629 54.840 -0.417 0.000 0.809 35 L CB 1.313 42.793 42.059 -0.965 0.000 1.179 35 L HN 0.280 nan 8.230 nan 0.000 0.429 36 Q N 1.978 121.781 119.800 0.006 0.000 2.341 36 Q HA 0.210 4.550 4.340 -0.000 0.000 0.173 36 Q C 1.015 177.300 176.000 0.474 0.000 0.659 36 Q CA -0.167 55.745 55.803 0.181 0.000 0.776 36 Q CB 0.676 29.472 28.738 0.097 0.000 1.108 36 Q HN 0.494 nan 8.270 nan 0.000 0.538 37 K N -0.245 120.391 120.400 0.394 0.000 2.312 37 K HA 0.202 4.522 4.320 -0.000 0.000 0.206 37 K C 0.601 177.322 176.600 0.201 0.000 1.121 37 K CA 0.072 56.541 56.287 0.302 0.000 0.923 37 K CB 0.359 32.923 32.500 0.107 0.000 1.162 37 K HN 0.207 nan 8.250 nan 0.000 0.478 38 H N 1.587 120.832 119.070 0.292 0.000 3.680 38 H HA 0.063 4.619 4.556 -0.000 0.000 0.204 38 H C -0.762 174.734 175.328 0.281 0.000 1.738 38 H CA 0.387 56.586 56.048 0.252 0.000 1.409 38 H CB -1.124 28.757 29.762 0.198 0.000 1.730 38 H HN 0.105 nan 8.280 nan 0.000 0.684 39 F N -0.567 119.399 119.950 0.026 0.000 2.678 39 F HA 0.713 5.240 4.527 -0.000 0.000 0.308 39 F C -1.832 173.888 175.800 -0.133 0.000 1.118 39 F CA -1.326 56.657 58.000 -0.028 0.000 0.959 39 F CB 1.139 40.111 39.000 -0.046 0.000 1.305 39 F HN 0.097 nan 8.300 nan 0.000 0.443 40 A N 2.812 125.530 122.820 -0.170 0.000 2.587 40 A HA 0.857 5.177 4.320 -0.000 0.000 0.293 40 A C -2.083 175.405 177.584 -0.160 0.000 1.087 40 A CA -0.753 51.137 52.037 -0.246 0.000 0.692 40 A CB 1.703 20.759 19.000 0.093 0.000 1.291 40 A HN 0.740 nan 8.150 nan 0.000 0.407 41 I N 2.177 122.553 120.570 -0.322 0.000 2.448 41 I HA 0.296 4.466 4.170 -0.000 0.000 0.281 41 I C -0.621 175.412 176.117 -0.140 0.000 1.027 41 I CA -0.531 60.573 61.300 -0.327 0.000 1.111 41 I CB 0.993 38.404 38.000 -0.981 0.000 1.236 41 I HN 0.279 nan 8.210 nan 0.000 0.452 42 V N 5.647 125.560 119.914 -0.002 0.000 2.348 42 V HA 0.560 4.680 4.120 -0.000 0.000 0.270 42 V C 0.966 177.107 176.094 0.079 0.000 1.037 42 V CA -0.457 61.857 62.300 0.023 0.000 0.872 42 V CB 1.196 32.980 31.823 -0.064 0.000 1.002 42 V HN 0.852 nan 8.190 nan 0.000 0.464 43 G N 2.825 111.698 108.800 0.122 0.000 2.476 43 G HA2 0.595 4.554 3.960 -0.000 0.000 0.286 43 G HA3 0.595 4.554 3.960 -0.000 0.000 0.286 43 G C -0.365 174.249 174.900 -0.477 0.000 1.177 43 G CA -0.227 44.906 45.100 0.055 0.000 0.870 43 G HN 0.705 nan 8.290 nan 0.000 0.528 44 T N -1.451 112.862 114.554 -0.403 0.000 2.957 44 T HA 0.707 5.057 4.350 -0.000 0.000 0.336 44 T C -0.729 173.822 174.700 -0.248 0.000 1.462 44 T CA 0.584 62.310 62.100 -0.623 0.000 1.073 44 T CB 1.266 69.739 68.868 -0.658 0.000 1.319 44 T HN 2.026 nan 8.240 nan 0.000 0.485 45 A N 3.185 125.889 122.820 -0.192 0.000 2.456 45 A HA 0.621 4.941 4.320 -0.000 0.000 0.294 45 A C 0.581 178.184 177.584 0.033 0.000 1.057 45 A CA -0.556 51.502 52.037 0.035 0.000 0.623 45 A CB 0.524 19.620 19.000 0.159 0.000 1.338 45 A HN 0.751 nan 8.150 nan 0.000 0.464 46 R N 0.029 120.551 120.500 0.035 0.000 2.066 46 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 46 R C 1.048 177.380 176.300 0.054 0.000 1.131 46 R CA 1.328 57.430 56.100 0.004 0.000 0.955 46 R CB -0.187 30.098 30.300 -0.026 0.000 0.851 46 R HN 0.775 nan 8.270 nan 0.000 0.432 47 Q N 1.556 121.410 119.800 0.090 0.000 2.339 47 Q HA 0.024 4.363 4.340 -0.000 0.000 0.308 47 Q C -1.046 175.030 176.000 0.127 0.000 1.097 47 Q CA -0.373 55.481 55.803 0.084 0.000 1.007 47 Q CB 0.576 29.355 28.738 0.068 0.000 1.051 47 Q HN 0.205 nan 8.270 nan 0.000 0.381 48 A N 5.444 128.309 122.820 0.076 0.000 2.477 48 A HA 0.464 4.784 4.320 -0.000 0.000 0.246 48 A C -0.638 176.945 177.584 -0.002 0.000 1.078 48 A CA -0.001 52.089 52.037 0.088 0.000 0.770 48 A CB 0.336 19.360 19.000 0.040 0.000 1.011 48 A HN 0.804 nan 8.150 nan 0.000 0.494 49 L N 1.797 122.997 121.223 -0.038 0.000 2.505 49 L HA 0.301 4.640 4.340 -0.000 0.000 0.259 49 L C -0.358 176.456 176.870 -0.093 0.000 0.952 49 L CA -0.864 53.846 54.840 -0.216 0.000 0.840 49 L CB 2.467 44.127 42.059 -0.665 0.000 1.358 49 L HN 1.015 nan 8.230 nan 0.000 0.409 50 N N -0.638 118.027 118.700 -0.059 0.000 2.515 50 N HA 0.159 4.899 4.740 -0.000 0.000 0.279 50 N C 0.235 175.751 175.510 0.011 0.000 1.164 50 N CA -0.588 52.460 53.050 -0.003 0.000 0.982 50 N CB 1.235 39.717 38.487 -0.007 0.000 1.170 50 N HN 0.464 nan 8.380 nan 0.000 0.474 51 D N 0.184 120.618 120.400 0.058 0.000 2.192 51 D HA -0.239 4.401 4.640 -0.000 0.000 0.189 51 D C 0.865 177.199 176.300 0.056 0.000 1.007 51 D CA 1.589 55.650 54.000 0.101 0.000 0.859 51 D CB -0.211 40.635 40.800 0.078 0.000 0.936 51 D HN 0.602 nan 8.370 nan 0.000 0.447 52 D N 0.181 120.585 120.400 0.006 0.000 2.116 52 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 52 D C 1.966 178.238 176.300 -0.046 0.000 0.998 52 D CA 0.972 54.954 54.000 -0.029 0.000 0.836 52 D CB -0.238 40.544 40.800 -0.031 0.000 0.951 52 D HN 0.475 nan 8.370 nan 0.000 0.449 53 E N -0.266 119.911 120.200 -0.038 0.000 2.051 53 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 53 E C 1.988 178.561 176.600 -0.044 0.000 0.991 53 E CA 0.475 56.841 56.400 -0.056 0.000 0.799 53 E CB -0.180 29.475 29.700 -0.074 0.000 0.748 53 E HN 0.170 nan 8.360 nan 0.000 0.449 54 F N 2.244 122.058 119.950 -0.227 0.000 2.051 54 F HA -0.180 4.346 4.527 -0.000 0.000 0.296 54 F C 1.916 177.586 175.800 -0.218 0.000 1.122 54 F CA 1.592 59.447 58.000 -0.242 0.000 1.201 54 F CB -0.224 38.655 39.000 -0.201 0.000 0.978 54 F HN -0.205 nan 8.300 nan 0.000 0.472 55 K N -0.435 119.793 120.400 -0.285 0.000 2.113 55 K HA -0.288 4.032 4.320 -0.000 0.000 0.208 55 K C 2.083 178.436 176.600 -0.411 0.000 1.047 55 K CA 1.750 57.765 56.287 -0.453 0.000 0.928 55 K CB -0.353 31.996 32.500 -0.251 0.000 0.716 55 K HN 0.300 nan 8.250 nan 0.000 0.446 56 Q N 1.511 121.155 119.800 -0.260 0.000 2.079 56 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 56 Q C 1.928 177.788 176.000 -0.233 0.000 0.974 56 Q CA 1.226 56.904 55.803 -0.208 0.000 0.840 56 Q CB -0.283 28.377 28.738 -0.129 0.000 0.898 56 Q HN 0.369 nan 8.270 nan 0.000 0.430 57 L N -0.601 120.482 121.223 -0.233 0.000 2.042 57 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 57 L C 1.978 178.665 176.870 -0.304 0.000 1.076 57 L CA 1.362 56.086 54.840 -0.193 0.000 0.749 57 L CB -0.307 41.696 42.059 -0.093 0.000 0.893 57 L HN 0.161 nan 8.230 nan 0.000 0.432 58 V N -0.039 119.528 119.914 -0.579 0.000 2.343 58 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 58 V C 2.719 178.499 176.094 -0.524 0.000 1.051 58 V CA 2.145 63.983 62.300 -0.770 0.000 1.036 58 V CB -0.749 30.252 31.823 -1.370 0.000 0.654 58 V HN 0.503 nan 8.190 nan 0.000 0.451 59 R N 0.038 120.276 120.500 -0.437 0.000 2.091 59 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 59 R C 2.071 178.247 176.300 -0.206 0.000 1.136 59 R CA 1.982 57.897 56.100 -0.308 0.000 0.959 59 R CB -0.313 29.842 30.300 -0.243 0.000 0.856 59 R HN 0.574 nan 8.270 nan 0.000 0.437 60 D N -0.595 119.703 120.400 -0.170 0.000 2.144 60 D HA -0.134 4.505 4.640 -0.000 0.000 0.200 60 D C 1.751 178.010 176.300 -0.067 0.000 0.978 60 D CA 1.154 55.098 54.000 -0.093 0.000 0.833 60 D CB -0.023 40.735 40.800 -0.071 0.000 0.961 60 D HN 0.200 nan 8.370 nan 0.000 0.470 61 S N 1.293 116.931 115.700 -0.104 0.000 2.348 61 S HA -0.137 4.333 4.470 -0.000 0.000 0.221 61 S C 1.929 176.489 174.600 -0.067 0.000 1.033 61 S CA 0.809 58.970 58.200 -0.064 0.000 1.010 61 S CB -0.268 62.905 63.200 -0.044 0.000 0.891 61 S HN 0.373 nan 8.310 nan 0.000 0.442 62 I N -1.792 118.689 120.570 -0.148 0.000 3.752 62 I HA 0.250 4.419 4.170 -0.000 0.000 0.313 62 I C 1.476 177.620 176.117 0.044 0.000 1.304 62 I CA -0.210 61.018 61.300 -0.120 0.000 1.171 62 I CB -0.031 37.690 38.000 -0.465 0.000 1.038 62 I HN 0.016 nan 8.210 nan 0.000 0.427 63 K N 2.089 122.527 120.400 0.063 0.000 1.969 63 K HA -0.155 4.165 4.320 -0.000 0.000 0.216 63 K C 1.264 177.956 176.600 0.155 0.000 1.048 63 K CA 1.900 58.231 56.287 0.074 0.000 0.948 63 K CB -0.545 31.982 32.500 0.046 0.000 0.726 63 K HN 0.495 nan 8.250 nan 0.000 0.442 64 D N -0.190 120.332 120.400 0.202 0.000 2.403 64 D HA -0.123 4.517 4.640 -0.000 0.000 0.227 64 D C 1.042 177.352 176.300 0.018 0.000 0.995 64 D CA 0.752 54.811 54.000 0.099 0.000 0.928 64 D CB -0.072 40.749 40.800 0.036 0.000 0.887 64 D HN 0.152 nan 8.370 nan 0.000 0.529 65 F N 0.020 120.038 119.950 0.113 0.000 2.678 65 F HA 0.132 4.659 4.527 -0.000 0.000 0.305 65 F C 1.180 177.162 175.800 0.303 0.000 1.090 65 F CA -0.168 57.947 58.000 0.192 0.000 1.272 65 F CB 0.604 39.780 39.000 0.293 0.000 1.060 65 F HN -0.329 nan 8.300 nan 0.000 0.576 66 T N -0.350 114.423 114.554 0.365 0.000 2.902 66 T HA 0.265 4.615 4.350 -0.000 0.000 0.283 66 T C 0.436 175.235 174.700 0.165 0.000 1.009 66 T CA -0.320 61.971 62.100 0.319 0.000 1.051 66 T CB 1.044 70.025 68.868 0.188 0.000 0.999 66 T HN 0.090 nan 8.240 nan 0.000 0.474 67 D N 1.915 122.403 120.400 0.147 0.000 2.680 67 D HA 0.107 4.746 4.640 -0.000 0.000 0.295 67 D C -0.312 176.033 176.300 0.075 0.000 1.097 67 D CA 0.030 54.076 54.000 0.078 0.000 0.952 67 D CB 0.354 41.182 40.800 0.047 0.000 1.491 67 D HN 0.537 nan 8.370 nan 0.000 0.486 68 D N 1.684 122.144 120.400 0.101 0.000 2.472 68 D HA 0.087 4.727 4.640 -0.000 0.000 0.234 68 D C 1.230 177.600 176.300 0.116 0.000 1.088 68 D CA -0.152 53.902 54.000 0.090 0.000 0.882 68 D CB 0.976 41.824 40.800 0.081 0.000 1.037 68 D HN -0.276 nan 8.370 nan 0.000 0.520 69 Q N 2.406 122.256 119.800 0.083 0.000 2.173 69 Q HA -0.242 4.098 4.340 -0.000 0.000 0.208 69 Q C 1.661 177.708 176.000 0.078 0.000 0.989 69 Q CA 1.613 57.456 55.803 0.067 0.000 0.872 69 Q CB -0.202 28.557 28.738 0.034 0.000 0.909 69 Q HN 0.684 nan 8.270 nan 0.000 0.420 70 A N 0.632 123.503 122.820 0.084 0.000 1.933 70 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 70 A C 2.043 179.717 177.584 0.149 0.000 1.175 70 A CA 1.623 53.716 52.037 0.093 0.000 0.628 70 A CB -0.536 18.511 19.000 0.078 0.000 0.814 70 A HN 0.432 nan 8.150 nan 0.000 0.444 71 Q N -0.537 119.376 119.800 0.188 0.000 2.079 71 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 71 Q C 2.227 178.468 176.000 0.402 0.000 0.974 71 Q CA 1.423 57.403 55.803 0.295 0.000 0.840 71 Q CB -0.306 28.588 28.738 0.261 0.000 0.898 71 Q HN 0.596 nan 8.270 nan 0.000 0.430 72 A N 0.637 123.641 122.820 0.307 0.000 1.902 72 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 72 A C 1.866 179.504 177.584 0.090 0.000 1.181 72 A CA 1.737 53.862 52.037 0.147 0.000 0.623 72 A CB -0.577 18.392 19.000 -0.052 0.000 0.818 72 A HN 0.389 nan 8.150 nan 0.000 0.443 73 E N 0.016 120.261 120.200 0.075 0.000 2.077 73 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 73 E C 2.151 178.800 176.600 0.081 0.000 0.989 73 E CA 1.413 57.831 56.400 0.031 0.000 0.800 73 E CB -0.519 29.198 29.700 0.029 0.000 0.746 73 E HN 0.516 nan 8.360 nan 0.000 0.452 74 A N -0.435 122.492 122.820 0.179 0.000 2.024 74 A HA -0.167 4.152 4.320 -0.000 0.000 0.220 74 A C 2.077 179.821 177.584 0.265 0.000 1.164 74 A CA 1.320 53.503 52.037 0.243 0.000 0.643 74 A CB -0.696 18.514 19.000 0.350 0.000 0.806 74 A HN 0.385 nan 8.150 nan 0.000 0.451 75 F N 0.494 120.429 119.950 -0.025 0.000 2.149 75 F HA 0.023 4.550 4.527 -0.000 0.000 0.294 75 F C 1.883 177.677 175.800 -0.011 0.000 1.095 75 F CA 1.098 58.934 58.000 -0.273 0.000 1.276 75 F CB -0.291 38.489 39.000 -0.365 0.000 1.023 75 F HN 0.143 nan 8.300 nan 0.000 0.480 76 I N 0.725 121.173 120.570 -0.203 0.000 2.399 76 I HA -0.298 3.871 4.170 -0.000 0.000 0.254 76 I C 2.403 178.422 176.117 -0.164 0.000 1.146 76 I CA 1.741 62.802 61.300 -0.397 0.000 1.412 76 I CB -0.762 37.015 38.000 -0.371 0.000 1.076 76 I HN 0.351 nan 8.210 nan 0.000 0.432 77 E N 0.997 121.153 120.200 -0.073 0.000 2.267 77 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 77 E C 1.561 178.101 176.600 -0.101 0.000 0.998 77 E CA 1.132 57.492 56.400 -0.066 0.000 0.830 77 E CB -0.061 29.601 29.700 -0.064 0.000 0.751 77 E HN 0.634 nan 8.360 nan 0.000 0.491 78 H N -1.097 117.850 119.070 -0.205 0.000 2.539 78 H HA 0.065 4.620 4.556 -0.000 0.000 0.267 78 H C -0.282 174.897 175.328 -0.248 0.000 0.982 78 H CA 0.068 55.854 56.048 -0.437 0.000 1.146 78 H CB 0.025 29.082 29.762 -1.175 0.000 1.382 78 H HN 0.045 nan 8.280 nan 0.000 0.577 79 F N 1.154 120.989 119.950 -0.192 0.000 2.432 79 F HA 0.304 4.831 4.527 -0.000 0.000 0.329 79 F C 0.575 176.429 175.800 0.090 0.000 1.076 79 F CA -0.791 57.162 58.000 -0.078 0.000 1.018 79 F CB 1.725 40.556 39.000 -0.281 0.000 1.201 79 F HN -0.153 nan 8.300 nan 0.000 0.489 80 S N 1.179 117.116 115.700 0.394 0.000 2.556 80 S HA 0.667 5.137 4.470 -0.000 0.000 0.271 80 S C -1.804 172.969 174.600 0.288 0.000 1.135 80 S CA -0.866 57.514 58.200 0.299 0.000 0.858 80 S CB 2.029 65.297 63.200 0.115 0.000 1.114 80 S HN 0.570 nan 8.310 nan 0.000 0.468 81 Y N 0.407 120.693 120.300 -0.022 0.000 2.602 81 Y HA 0.823 5.373 4.550 -0.000 0.000 0.342 81 Y C -0.857 174.924 175.900 -0.199 0.000 1.029 81 Y CA -0.881 57.023 58.100 -0.328 0.000 1.080 81 Y CB 1.888 40.038 38.460 -0.516 0.000 1.284 81 Y HN 0.861 nan 8.280 nan 0.000 0.485 82 R N 2.283 122.297 120.500 -0.811 0.000 2.603 82 R HA 0.607 4.947 4.340 -0.000 0.000 0.280 82 R C -1.528 174.413 176.300 -0.597 0.000 1.185 82 R CA -0.392 55.437 56.100 -0.452 0.000 1.039 82 R CB 1.210 31.306 30.300 -0.340 0.000 1.247 82 R HN 0.799 nan 8.270 nan 0.000 0.413 83 A N 2.776 125.482 122.820 -0.190 0.000 2.511 83 A HA 0.454 4.774 4.320 -0.000 0.000 0.242 83 A C -0.654 176.887 177.584 -0.072 0.000 1.069 83 A CA 0.537 52.540 52.037 -0.056 0.000 0.763 83 A CB 0.067 19.104 19.000 0.062 0.000 1.001 83 A HN 0.811 nan 8.150 nan 0.000 0.498 84 H N -0.024 118.921 119.070 -0.208 0.000 3.112 84 H HA 0.460 5.016 4.556 -0.000 0.000 0.347 84 H C -1.748 173.463 175.328 -0.195 0.000 1.188 84 H CA -0.320 55.587 56.048 -0.234 0.000 1.240 84 H CB 1.480 31.039 29.762 -0.338 0.000 1.920 84 H HN 0.692 nan 8.280 nan 0.000 0.535 85 D N 3.397 123.324 120.400 -0.789 0.000 2.308 85 D HA 0.240 4.879 4.640 -0.000 0.000 0.242 85 D C 1.277 177.150 176.300 -0.712 0.000 1.059 85 D CA -0.441 53.240 54.000 -0.531 0.000 0.830 85 D CB 1.677 42.272 40.800 -0.342 0.000 1.161 85 D HN 0.383 nan 8.370 nan 0.000 0.494 86 V N 1.452 121.194 119.914 -0.288 0.000 2.759 86 V HA -0.117 4.003 4.120 -0.000 0.000 0.256 86 V C 1.584 177.814 176.094 0.227 0.000 1.080 86 V CA 1.996 64.323 62.300 0.046 0.000 1.101 86 V CB -1.318 30.545 31.823 0.066 0.000 0.698 86 V HN 0.735 nan 8.190 nan 0.000 0.477 87 T N -2.731 111.849 114.554 0.044 0.000 3.100 87 T HA 0.060 4.410 4.350 -0.000 0.000 0.253 87 T C 0.693 175.420 174.700 0.045 0.000 1.118 87 T CA 0.572 62.763 62.100 0.151 0.000 1.058 87 T CB -0.308 68.623 68.868 0.105 0.000 0.953 87 T HN 0.511 nan 8.240 nan 0.000 0.515 88 D N 1.263 121.611 120.400 -0.088 0.000 2.456 88 D HA 0.572 5.211 4.640 -0.000 0.000 0.219 88 D C 1.285 177.483 176.300 -0.171 0.000 1.126 88 D CA -0.236 53.674 54.000 -0.150 0.000 0.890 88 D CB 1.135 41.818 40.800 -0.195 0.000 1.025 88 D HN 0.151 nan 8.370 nan 0.000 0.511 89 A N 4.019 126.590 122.820 -0.416 0.000 1.903 89 A HA -0.205 4.114 4.320 -0.000 0.000 0.219 89 A C 2.109 179.617 177.584 -0.127 0.000 1.191 89 A CA 2.202 53.880 52.037 -0.598 0.000 0.638 89 A CB -0.572 18.168 19.000 -0.433 0.000 0.823 89 A HN 0.615 nan 8.150 nan 0.000 0.451 90 A N -1.217 121.560 122.820 -0.072 0.000 1.902 90 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 90 A C 2.438 180.038 177.584 0.027 0.000 1.181 90 A CA 2.057 54.086 52.037 -0.014 0.000 0.623 90 A CB -1.021 17.962 19.000 -0.027 0.000 0.818 90 A HN 0.585 nan 8.150 nan 0.000 0.443 91 S N -1.767 113.928 115.700 -0.008 0.000 2.440 91 S HA -0.195 4.275 4.470 -0.000 0.000 0.240 91 S C 1.711 176.399 174.600 0.146 0.000 1.014 91 S CA 1.452 59.635 58.200 -0.028 0.000 0.980 91 S CB -0.594 62.437 63.200 -0.282 0.000 0.775 91 S HN 0.624 nan 8.310 nan 0.000 0.499 92 Y N 1.270 121.659 120.300 0.150 0.000 2.293 92 Y HA 0.029 4.578 4.550 -0.000 0.000 0.291 92 Y C 2.545 178.455 175.900 0.017 0.000 1.137 92 Y CA 0.753 58.933 58.100 0.134 0.000 1.202 92 Y CB -0.637 37.853 38.460 0.050 0.000 0.990 92 Y HN 0.356 nan 8.280 nan 0.000 0.537 93 A N -0.557 122.349 122.820 0.142 0.000 2.019 93 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 93 A C 2.319 179.920 177.584 0.028 0.000 1.164 93 A CA 1.767 53.844 52.037 0.068 0.000 0.644 93 A CB -1.076 17.949 19.000 0.042 0.000 0.805 93 A HN 0.264 nan 8.150 nan 0.000 0.449 94 V N -0.584 119.340 119.914 0.017 0.000 2.307 94 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 94 V C 2.425 178.485 176.094 -0.058 0.000 1.045 94 V CA 1.838 64.127 62.300 -0.019 0.000 1.024 94 V CB -0.780 31.034 31.823 -0.015 0.000 0.651 94 V HN 0.541 nan 8.190 nan 0.000 0.449 95 L N 0.373 121.535 121.223 -0.102 0.000 2.046 95 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 95 L C 2.455 179.286 176.870 -0.065 0.000 1.077 95 L CA 2.072 56.809 54.840 -0.170 0.000 0.747 95 L CB -0.862 40.985 42.059 -0.354 0.000 0.896 95 L HN 0.299 nan 8.230 nan 0.000 0.432 96 K N -0.682 119.715 120.400 -0.004 0.000 2.074 96 K HA -0.262 4.057 4.320 -0.000 0.000 0.209 96 K C 2.138 178.743 176.600 0.007 0.000 1.048 96 K CA 1.843 58.148 56.287 0.029 0.000 0.926 96 K CB -0.202 32.325 32.500 0.044 0.000 0.713 96 K HN 0.457 nan 8.250 nan 0.000 0.444 97 E N 0.037 120.231 120.200 -0.011 0.000 2.047 97 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 97 E C 1.864 178.444 176.600 -0.033 0.000 0.987 97 E CA 1.105 57.493 56.400 -0.020 0.000 0.799 97 E CB -0.155 29.530 29.700 -0.024 0.000 0.752 97 E HN 0.423 nan 8.360 nan 0.000 0.449 98 A N 1.387 124.177 122.820 -0.049 0.000 1.917 98 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 98 A C 2.237 179.795 177.584 -0.043 0.000 1.182 98 A CA 1.576 53.577 52.037 -0.060 0.000 0.633 98 A CB -0.702 18.238 19.000 -0.099 0.000 0.819 98 A HN 0.334 nan 8.150 nan 0.000 0.448 99 I N -0.593 119.961 120.570 -0.026 0.000 2.202 99 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 99 I C 2.426 178.545 176.117 0.003 0.000 1.091 99 I CA 1.612 62.914 61.300 0.003 0.000 1.368 99 I CB -0.446 37.588 38.000 0.057 0.000 1.058 99 I HN 0.426 nan 8.210 nan 0.000 0.410 100 E N 0.260 120.462 120.200 0.002 0.000 2.268 100 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 100 E C 1.958 178.540 176.600 -0.029 0.000 0.995 100 E CA 0.582 56.979 56.400 -0.004 0.000 0.836 100 E CB 0.053 29.753 29.700 0.001 0.000 0.763 100 E HN 0.406 nan 8.360 nan 0.000 0.491 101 E N 0.810 120.983 120.200 -0.045 0.000 2.028 101 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 101 E C 2.144 178.673 176.600 -0.118 0.000 0.984 101 E CA 0.945 57.298 56.400 -0.078 0.000 0.800 101 E CB -0.261 29.393 29.700 -0.077 0.000 0.758 101 E HN 0.198 nan 8.360 nan 0.000 0.448 102 A N 1.607 124.372 122.820 -0.091 0.000 1.908 102 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 102 A C 2.417 179.975 177.584 -0.043 0.000 1.181 102 A CA 2.369 54.351 52.037 -0.091 0.000 0.627 102 A CB -0.694 18.322 19.000 0.026 0.000 0.818 102 A HN 0.275 nan 8.150 nan 0.000 0.445 103 A N -0.229 122.591 122.820 0.000 0.000 1.883 103 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 103 A C 1.850 179.438 177.584 0.006 0.000 1.186 103 A CA 2.279 54.338 52.037 0.036 0.000 0.624 103 A CB -0.798 18.215 19.000 0.022 0.000 0.822 103 A HN 0.505 nan 8.150 nan 0.000 0.444 104 D N -1.016 119.352 120.400 -0.054 0.000 2.097 104 D HA -0.129 4.510 4.640 -0.000 0.000 0.197 104 D C 1.982 178.191 176.300 -0.151 0.000 0.984 104 D CA 1.486 55.443 54.000 -0.072 0.000 0.826 104 D CB -0.111 40.643 40.800 -0.077 0.000 0.973 104 D HN 0.492 nan 8.370 nan 0.000 0.460 105 K N -0.847 119.364 120.400 -0.315 0.000 2.218 105 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 105 K C 0.433 176.613 176.600 -0.699 0.000 1.046 105 K CA 1.123 57.047 56.287 -0.604 0.000 0.933 105 K CB -0.036 31.891 32.500 -0.955 0.000 0.728 105 K HN 0.194 nan 8.250 nan 0.000 0.454 106 F N -0.027 119.881 119.950 -0.070 0.000 2.729 106 F HA 0.189 4.716 4.527 -0.000 0.000 0.315 106 F C -0.394 175.415 175.800 0.016 0.000 1.102 106 F CA -0.853 57.100 58.000 -0.078 0.000 1.204 106 F CB 0.281 39.236 39.000 -0.075 0.000 1.052 106 F HN -0.029 nan 8.300 nan 0.000 0.551 107 D N 2.199 122.700 120.400 0.169 0.000 2.927 107 D HA -0.221 4.419 4.640 -0.000 0.000 0.236 107 D C -0.567 175.910 176.300 0.294 0.000 1.163 107 D CA 0.505 54.628 54.000 0.206 0.000 0.801 107 D CB -0.850 40.092 40.800 0.237 0.000 0.975 107 D HN 0.333 nan 8.370 nan 0.000 0.413 108 I N 1.213 121.902 120.570 0.198 0.000 2.328 108 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 108 I C 0.526 176.683 176.117 0.066 0.000 1.012 108 I CA -0.827 60.568 61.300 0.159 0.000 1.195 108 I CB 1.356 39.447 38.000 0.152 0.000 1.350 108 I HN -0.024 nan 8.210 nan 0.000 0.464 109 D N 6.287 126.708 120.400 0.035 0.000 2.551 109 D HA 0.363 5.002 4.640 -0.000 0.000 0.223 109 D C 0.834 177.102 176.300 -0.053 0.000 1.144 109 D CA 1.041 55.040 54.000 -0.002 0.000 1.025 109 D CB 0.131 40.929 40.800 -0.002 0.000 1.085 109 D HN 0.817 nan 8.370 nan 0.000 0.506 110 G N 3.045 111.808 108.800 -0.062 0.000 2.527 110 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.268 110 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.268 110 G C -0.031 174.706 174.900 -0.271 0.000 1.175 110 G CA -0.201 44.824 45.100 -0.124 0.000 0.962 110 G HN 0.641 nan 8.290 nan 0.000 0.560 111 N N 0.181 118.553 118.700 -0.546 0.000 2.681 111 N HA -0.141 4.598 4.740 -0.000 0.000 0.259 111 N C 0.108 175.185 175.510 -0.723 0.000 1.066 111 N CA 1.761 54.046 53.050 -1.274 0.000 0.717 111 N CB -0.760 37.176 38.487 -0.918 0.000 0.885 111 N HN 0.888 nan 8.380 nan 0.000 0.547 112 R N 0.554 120.777 120.500 -0.461 0.000 2.460 112 R HA 0.658 4.998 4.340 -0.000 0.000 0.303 112 R C 0.338 176.410 176.300 -0.381 0.000 0.968 112 R CA -0.538 55.332 56.100 -0.384 0.000 0.889 112 R CB 1.593 31.652 30.300 -0.400 0.000 1.123 112 R HN 0.220 nan 8.270 nan 0.000 0.455 113 I N 3.037 123.304 120.570 -0.504 0.000 2.474 113 I HA 0.372 4.542 4.170 -0.000 0.000 0.294 113 I C -0.957 174.791 176.117 -0.616 0.000 1.005 113 I CA -0.785 60.285 61.300 -0.383 0.000 1.113 113 I CB 1.529 39.420 38.000 -0.182 0.000 1.289 113 I HN 0.418 nan 8.210 nan 0.000 0.436 114 F N 5.428 125.408 119.950 0.050 0.000 2.434 114 F HA 0.296 4.823 4.527 -0.000 0.000 0.355 114 F C -0.430 175.433 175.800 0.105 0.000 1.115 114 F CA -0.686 57.401 58.000 0.145 0.000 1.010 114 F CB 0.801 39.963 39.000 0.269 0.000 1.234 114 F HN 0.291 nan 8.300 nan 0.000 0.439 115 Y N 4.626 124.998 120.300 0.120 0.000 2.477 115 Y HA 0.432 4.982 4.550 -0.000 0.000 0.349 115 Y C 0.034 176.137 175.900 0.339 0.000 0.977 115 Y CA -0.983 57.193 58.100 0.126 0.000 1.214 115 Y CB 0.721 39.165 38.460 -0.027 0.000 1.124 115 Y HN 0.490 nan 8.280 nan 0.000 0.521 116 M N 5.145 124.862 119.600 0.196 0.000 2.974 116 M HA 0.095 4.575 4.480 -0.000 0.000 0.301 116 M C 0.614 177.187 176.300 0.455 0.000 1.409 116 M CA 0.108 55.595 55.300 0.312 0.000 1.515 116 M CB 0.297 32.936 32.600 0.065 0.000 1.163 116 M HN 0.535 nan 8.290 nan 0.000 0.520 117 S N 3.106 119.205 115.700 0.664 0.000 3.513 117 S HA 0.366 4.836 4.470 -0.000 0.000 0.209 117 S C -0.139 174.746 174.600 0.475 0.000 1.446 117 S CA -0.691 57.870 58.200 0.602 0.000 1.150 117 S CB -0.632 62.894 63.200 0.544 0.000 1.266 117 S HN 0.533 nan 8.310 nan 0.000 0.502 118 V N -0.576 119.648 119.914 0.517 0.000 3.158 118 V HA 0.962 5.082 4.120 -0.000 0.000 0.311 118 V C 0.227 176.496 176.094 0.293 0.000 1.181 118 V CA -1.254 61.300 62.300 0.423 0.000 1.054 118 V CB 0.803 32.900 31.823 0.456 0.000 1.085 118 V HN 0.384 nan 8.190 nan 0.000 0.446 119 A N 1.032 123.960 122.820 0.179 0.000 2.507 119 A HA 0.489 4.808 4.320 -0.000 0.000 0.235 119 A C -1.267 175.881 177.584 -0.726 0.000 1.070 119 A CA -0.258 51.683 52.037 -0.159 0.000 0.768 119 A CB -0.618 18.289 19.000 -0.154 0.000 1.011 119 A HN 0.855 nan 8.150 nan 0.000 0.502 120 P HA -0.185 nan 4.420 nan 0.000 0.216 120 P C 1.677 178.387 177.300 -0.985 0.000 1.150 120 P CA 1.136 63.447 63.100 -1.315 0.000 0.843 120 P CB 0.026 31.409 31.700 -0.529 0.000 0.787 121 R N -1.048 118.980 120.500 -0.787 0.000 2.170 121 R HA -0.127 4.213 4.340 -0.000 0.000 0.242 121 R C 1.385 177.288 176.300 -0.660 0.000 1.145 121 R CA 1.379 57.037 56.100 -0.737 0.000 0.984 121 R CB -0.644 29.109 30.300 -0.912 0.000 0.869 121 R HN 0.250 nan 8.270 nan 0.000 0.455 122 F N -1.461 118.339 119.950 -0.250 0.000 2.727 122 F HA 0.097 4.624 4.527 -0.000 0.000 0.302 122 F C 1.534 177.353 175.800 0.031 0.000 1.097 122 F CA -0.395 57.558 58.000 -0.078 0.000 1.330 122 F CB -0.293 38.705 39.000 -0.004 0.000 1.084 122 F HN -0.153 nan 8.300 nan 0.000 0.578 123 F N 0.983 120.949 119.950 0.026 0.000 2.069 123 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 123 F C 2.603 178.358 175.800 -0.075 0.000 1.113 123 F CA 1.137 59.110 58.000 -0.045 0.000 1.214 123 F CB -1.503 37.435 39.000 -0.104 0.000 0.978 123 F HN 0.060 nan 8.300 nan 0.000 0.474 124 G N -0.959 107.900 108.800 0.099 0.000 2.418 124 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 124 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 124 G C 1.704 176.578 174.900 -0.044 0.000 1.158 124 G CA 1.497 46.590 45.100 -0.012 0.000 0.771 124 G HN 0.347 nan 8.290 nan 0.000 0.545 125 T N 1.622 116.176 114.554 -0.001 0.000 2.595 125 T HA -0.115 4.234 4.350 -0.000 0.000 0.264 125 T C 2.372 177.063 174.700 -0.014 0.000 1.058 125 T CA 1.242 63.326 62.100 -0.026 0.000 1.166 125 T CB -0.281 68.691 68.868 0.173 0.000 0.863 125 T HN 0.229 nan 8.240 nan 0.000 0.415 126 I N 1.508 122.146 120.570 0.113 0.000 2.145 126 I HA -0.284 3.886 4.170 -0.000 0.000 0.244 126 I C 2.969 179.055 176.117 -0.052 0.000 1.075 126 I CA 1.402 62.740 61.300 0.063 0.000 1.332 126 I CB -0.632 37.244 38.000 -0.207 0.000 1.033 126 I HN 0.238 nan 8.210 nan 0.000 0.410 127 A N 0.923 123.717 122.820 -0.043 0.000 1.865 127 A HA -0.304 4.016 4.320 -0.000 0.000 0.217 127 A C 2.408 179.942 177.584 -0.084 0.000 1.191 127 A CA 2.281 54.332 52.037 0.023 0.000 0.623 127 A CB -0.705 18.344 19.000 0.081 0.000 0.826 127 A HN 0.437 nan 8.150 nan 0.000 0.444 128 K N -1.678 118.607 120.400 -0.192 0.000 2.044 128 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 128 K C 1.821 178.196 176.600 -0.374 0.000 1.049 128 K CA 2.147 58.239 56.287 -0.324 0.000 0.927 128 K CB -0.443 31.772 32.500 -0.474 0.000 0.713 128 K HN 0.474 nan 8.250 nan 0.000 0.443 129 Y N 1.152 121.263 120.300 -0.315 0.000 2.352 129 Y HA -0.059 4.491 4.550 -0.000 0.000 0.292 129 Y C 2.052 177.664 175.900 -0.480 0.000 1.136 129 Y CA 0.676 58.435 58.100 -0.570 0.000 1.227 129 Y CB -0.270 37.425 38.460 -1.275 0.000 0.991 129 Y HN 0.034 nan 8.280 nan 0.000 0.545 130 L N -0.345 120.764 121.223 -0.190 0.000 2.131 130 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 130 L C 2.427 179.182 176.870 -0.192 0.000 1.092 130 L CA 1.594 56.323 54.840 -0.185 0.000 0.759 130 L CB -0.339 41.547 42.059 -0.289 0.000 0.903 130 L HN 0.092 nan 8.230 nan 0.000 0.435 131 K N -0.098 120.175 120.400 -0.213 0.000 2.021 131 K HA -0.041 4.278 4.320 -0.000 0.000 0.205 131 K C 2.160 178.683 176.600 -0.128 0.000 1.047 131 K CA 1.511 57.676 56.287 -0.203 0.000 0.943 131 K CB -0.179 32.177 32.500 -0.239 0.000 0.725 131 K HN 0.012 nan 8.250 nan 0.000 0.439 132 S N 1.043 116.677 115.700 -0.110 0.000 2.351 132 S HA -0.126 4.344 4.470 -0.000 0.000 0.220 132 S C 0.987 175.570 174.600 -0.028 0.000 1.035 132 S CA 1.704 59.874 58.200 -0.050 0.000 1.031 132 S CB -0.431 62.779 63.200 0.017 0.000 0.928 132 S HN 0.348 nan 8.310 nan 0.000 0.433 133 E N 0.926 121.108 120.200 -0.030 0.000 2.301 133 E HA 0.323 4.672 4.350 -0.000 0.000 0.195 133 E C 0.803 177.407 176.600 0.006 0.000 1.171 133 E CA 0.018 56.417 56.400 -0.001 0.000 1.142 133 E CB -0.857 28.861 29.700 0.030 0.000 1.218 133 E HN 0.477 nan 8.360 nan 0.000 0.448 134 G N 0.818 109.608 108.800 -0.017 0.000 2.441 134 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.298 134 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.298 134 G C 0.689 175.599 174.900 0.015 0.000 0.949 134 G CA 0.528 45.622 45.100 -0.010 0.000 1.072 134 G HN 0.474 nan 8.290 nan 0.000 0.512 135 L N -1.109 120.119 121.223 0.009 0.000 2.375 135 L HA 0.255 4.595 4.340 -0.000 0.000 0.215 135 L C 1.803 178.754 176.870 0.135 0.000 1.108 135 L CA 0.067 54.943 54.840 0.060 0.000 0.830 135 L CB -0.027 42.041 42.059 0.014 0.000 0.959 135 L HN 0.325 nan 8.230 nan 0.000 0.457 136 L N 0.852 122.112 121.223 0.062 0.000 2.410 136 L HA 0.173 4.512 4.340 -0.000 0.000 0.273 136 L C 0.784 177.726 176.870 0.119 0.000 1.152 136 L CA -0.522 54.399 54.840 0.134 0.000 0.855 136 L CB 0.429 42.484 42.059 -0.008 0.000 1.129 136 L HN 0.028 nan 8.230 nan 0.000 0.463 137 A N 2.584 125.494 122.820 0.149 0.000 2.548 137 A HA -0.011 4.309 4.320 -0.000 0.000 0.247 137 A C 0.861 178.471 177.584 0.043 0.000 1.067 137 A CA -0.289 51.791 52.037 0.072 0.000 0.757 137 A CB -0.046 18.969 19.000 0.025 0.000 0.996 137 A HN 0.812 nan 8.150 nan 0.000 0.504 138 D N 0.619 121.035 120.400 0.027 0.000 2.371 138 D HA 0.013 4.652 4.640 -0.000 0.000 0.221 138 D C 0.469 176.778 176.300 0.016 0.000 0.986 138 D CA 1.507 55.517 54.000 0.017 0.000 0.899 138 D CB 0.309 41.117 40.800 0.012 0.000 0.902 138 D HN 0.538 nan 8.370 nan 0.000 0.530 139 T N -1.419 113.142 114.554 0.012 0.000 2.894 139 T HA 0.516 4.866 4.350 -0.000 0.000 0.309 139 T C -0.173 174.519 174.700 -0.013 0.000 1.208 139 T CA 0.192 62.297 62.100 0.007 0.000 1.016 139 T CB 1.708 70.578 68.868 0.004 0.000 1.192 139 T HN 0.255 nan 8.240 nan 0.000 0.491 140 G N 1.803 110.600 108.800 -0.004 0.000 2.681 140 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.220 140 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.220 140 G C -0.907 173.998 174.900 0.008 0.000 1.353 140 G CA 0.136 45.207 45.100 -0.048 0.000 0.872 140 G HN 1.539 nan 8.290 nan 0.000 0.557 141 Y N -0.141 120.190 120.300 0.053 0.000 2.458 141 Y HA 0.824 5.374 4.550 -0.000 0.000 0.322 141 Y C 0.280 176.236 175.900 0.094 0.000 1.259 141 Y CA -1.445 56.699 58.100 0.072 0.000 1.302 141 Y CB 1.157 39.653 38.460 0.061 0.000 1.314 141 Y HN 0.572 nan 8.280 nan 0.000 0.509 142 N N 1.754 120.725 118.700 0.452 0.000 2.500 142 N HA 0.367 5.107 4.740 -0.000 0.000 0.291 142 N C -1.510 174.316 175.510 0.526 0.000 1.092 142 N CA -0.750 52.579 53.050 0.466 0.000 0.890 142 N CB 2.099 40.861 38.487 0.458 0.000 1.466 142 N HN 0.681 nan 8.380 nan 0.000 0.507 143 R N 0.974 121.702 120.500 0.380 0.000 2.750 143 R HA 0.589 4.929 4.340 -0.000 0.000 0.281 143 R C -1.082 175.227 176.300 0.014 0.000 0.972 143 R CA -0.943 55.243 56.100 0.143 0.000 0.912 143 R CB 2.436 32.663 30.300 -0.121 0.000 1.187 143 R HN 0.304 nan 8.270 nan 0.000 0.464 144 L N 2.413 123.517 121.223 -0.198 0.000 2.362 144 L HA 0.511 4.851 4.340 -0.000 0.000 0.275 144 L C -1.124 175.609 176.870 -0.228 0.000 0.998 144 L CA -0.293 54.379 54.840 -0.280 0.000 0.820 144 L CB 1.890 43.500 42.059 -0.749 0.000 1.270 144 L HN 0.592 nan 8.230 nan 0.000 0.415 145 M N 6.468 125.920 119.600 -0.245 0.000 2.047 145 M HA 0.402 4.882 4.480 -0.000 0.000 0.342 145 M C -1.080 174.952 176.300 -0.447 0.000 1.058 145 M CA -0.491 54.605 55.300 -0.340 0.000 0.991 145 M CB 1.048 33.380 32.600 -0.447 0.000 1.474 145 M HN 0.391 nan 8.290 nan 0.000 0.419 146 I N 2.693 123.065 120.570 -0.331 0.000 2.301 146 I HA 0.155 4.325 4.170 -0.000 0.000 0.292 146 I C 0.492 176.463 176.117 -0.242 0.000 1.046 146 I CA -0.253 60.787 61.300 -0.432 0.000 1.282 146 I CB 0.258 38.105 38.000 -0.255 0.000 1.409 146 I HN 0.524 nan 8.210 nan 0.000 0.484 147 E N 6.186 126.252 120.200 -0.224 0.000 2.409 147 E HA 0.151 4.501 4.350 -0.000 0.000 0.257 147 E C -0.341 176.445 176.600 0.309 0.000 1.150 147 E CA -0.113 56.385 56.400 0.164 0.000 0.942 147 E CB 0.592 30.505 29.700 0.354 0.000 0.979 147 E HN 0.343 nan 8.360 nan 0.000 0.447 148 K N 3.121 123.756 120.400 0.391 0.000 2.295 148 K HA 0.241 4.561 4.320 -0.000 0.000 0.270 148 K C -1.896 174.957 176.600 0.422 0.000 1.011 148 K CA -1.235 55.294 56.287 0.404 0.000 0.953 148 K CB 0.228 32.960 32.500 0.386 0.000 0.956 148 K HN 0.506 nan 8.250 nan 0.000 0.477 149 P HA 0.190 nan 4.420 nan 0.000 0.287 149 P C -1.276 176.316 177.300 0.486 0.000 1.279 149 P CA -0.582 62.775 63.100 0.429 0.000 0.867 149 P CB 0.695 32.647 31.700 0.419 0.000 1.127 150 F N 1.459 121.624 119.950 0.358 0.000 2.425 150 F HA 0.491 5.017 4.527 -0.000 0.000 0.354 150 F C 0.737 176.778 175.800 0.402 0.000 1.162 150 F CA 0.741 58.945 58.000 0.340 0.000 1.250 150 F CB -0.461 38.714 39.000 0.292 0.000 1.579 150 F HN 0.759 nan 8.300 nan 0.000 0.589 151 G N 2.742 111.648 108.800 0.176 0.000 2.746 151 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.685 151 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.685 151 G C 0.223 175.118 174.900 -0.009 0.000 1.350 151 G CA -0.285 44.792 45.100 -0.038 0.000 0.837 151 G HN 0.890 nan 8.290 nan 0.000 0.564 152 T N -2.888 111.448 114.554 -0.364 0.000 3.111 152 T HA 0.680 5.029 4.350 -0.000 0.000 0.284 152 T C 0.676 174.866 174.700 -0.850 0.000 0.983 152 T CA 1.240 63.158 62.100 -0.303 0.000 0.900 152 T CB -0.077 68.761 68.868 -0.050 0.000 1.132 152 T HN 2.382 nan 8.240 nan 0.000 0.531 153 S N -0.542 114.283 115.700 -1.459 0.000 2.656 153 S HA 0.420 4.890 4.470 -0.000 0.000 0.265 153 S C 0.090 174.032 174.600 -1.095 0.000 1.132 153 S CA -0.773 56.751 58.200 -1.128 0.000 0.819 153 S CB 0.628 63.572 63.200 -0.425 0.000 1.119 153 S HN -0.001 nan 8.310 nan 0.000 0.476 154 Y N 1.344 121.367 120.300 -0.461 0.000 2.133 154 Y HA -0.027 4.522 4.550 -0.000 0.000 0.287 154 Y C 1.781 177.618 175.900 -0.105 0.000 1.134 154 Y CA 2.484 60.486 58.100 -0.162 0.000 1.133 154 Y CB -0.666 37.810 38.460 0.027 0.000 0.987 154 Y HN 0.724 nan 8.280 nan 0.000 0.502 155 D N -0.391 119.872 120.400 -0.228 0.000 2.104 155 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 155 D C 2.298 178.419 176.300 -0.298 0.000 0.994 155 D CA 2.536 56.384 54.000 -0.253 0.000 0.830 155 D CB -0.815 39.937 40.800 -0.080 0.000 0.959 155 D HN 0.589 nan 8.370 nan 0.000 0.452 156 T N -0.836 113.536 114.554 -0.304 0.000 2.788 156 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 156 T C 2.083 176.603 174.700 -0.300 0.000 1.044 156 T CA 1.510 63.441 62.100 -0.282 0.000 1.139 156 T CB -0.325 68.377 68.868 -0.276 0.000 0.867 156 T HN 0.117 nan 8.240 nan 0.000 0.454 157 A N 1.722 124.345 122.820 -0.329 0.000 1.929 157 A HA 0.455 4.775 4.320 -0.000 0.000 0.216 157 A C 2.795 180.317 177.584 -0.103 0.000 1.176 157 A CA 1.534 53.501 52.037 -0.117 0.000 0.628 157 A CB -1.273 17.819 19.000 0.155 0.000 0.816 157 A HN 0.713 nan 8.150 nan 0.000 0.444 158 A N 0.011 122.685 122.820 -0.243 0.000 1.898 158 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 158 A C 1.891 179.270 177.584 -0.342 0.000 1.181 158 A CA 1.609 53.437 52.037 -0.348 0.000 0.620 158 A CB -0.499 18.232 19.000 -0.448 0.000 0.819 158 A HN 0.627 nan 8.150 nan 0.000 0.442 159 E N -0.257 119.776 120.200 -0.279 0.000 2.023 159 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 159 E C 2.027 178.475 176.600 -0.254 0.000 1.003 159 E CA 1.176 57.438 56.400 -0.230 0.000 0.809 159 E CB -0.335 29.246 29.700 -0.199 0.000 0.755 159 E HN 0.577 nan 8.360 nan 0.000 0.449 160 L N 0.980 122.023 121.223 -0.300 0.000 2.013 160 L HA -0.317 4.023 4.340 -0.000 0.000 0.212 160 L C 2.703 179.378 176.870 -0.325 0.000 1.073 160 L CA 1.630 56.262 54.840 -0.347 0.000 0.753 160 L CB -0.186 41.529 42.059 -0.574 0.000 0.890 160 L HN 0.208 nan 8.230 nan 0.000 0.432 161 Q N 0.225 119.804 119.800 -0.367 0.000 2.096 161 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 161 Q C 1.941 177.752 176.000 -0.315 0.000 0.982 161 Q CA 2.164 57.745 55.803 -0.368 0.000 0.850 161 Q CB -0.359 27.818 28.738 -0.936 0.000 0.901 161 Q HN 0.459 nan 8.270 nan 0.000 0.422 162 N N -0.222 118.297 118.700 -0.302 0.000 2.058 162 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 162 N C 0.971 176.389 175.510 -0.153 0.000 1.037 162 N CA 1.737 54.661 53.050 -0.211 0.000 0.848 162 N CB -0.156 38.222 38.487 -0.181 0.000 1.021 162 N HN 0.290 nan 8.380 nan 0.000 0.422 163 D N 1.253 121.564 120.400 -0.150 0.000 2.116 163 D HA -0.151 4.488 4.640 -0.000 0.000 0.193 163 D C 2.184 178.438 176.300 -0.077 0.000 0.998 163 D CA 0.779 54.709 54.000 -0.118 0.000 0.836 163 D CB -0.568 40.160 40.800 -0.120 0.000 0.951 163 D HN 0.352 nan 8.370 nan 0.000 0.449 164 L N 0.592 121.778 121.223 -0.061 0.000 2.083 164 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 164 L C 2.178 179.093 176.870 0.075 0.000 1.083 164 L CA 1.082 55.943 54.840 0.034 0.000 0.752 164 L CB -0.467 41.600 42.059 0.014 0.000 0.899 164 L HN 0.004 nan 8.230 nan 0.000 0.433 165 E N 0.019 120.207 120.200 -0.020 0.000 2.478 165 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 165 E C 1.435 178.014 176.600 -0.035 0.000 1.046 165 E CA 0.114 56.501 56.400 -0.023 0.000 0.870 165 E CB 0.037 29.684 29.700 -0.088 0.000 0.818 165 E HN 0.419 nan 8.360 nan 0.000 0.527 166 N N -0.349 118.320 118.700 -0.052 0.000 2.446 166 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 166 N C 0.945 176.391 175.510 -0.105 0.000 1.054 166 N CA 0.694 53.696 53.050 -0.080 0.000 0.905 166 N CB 0.613 39.042 38.487 -0.097 0.000 0.973 166 N HN 0.125 nan 8.380 nan 0.000 0.448 167 A N -1.312 121.447 122.820 -0.102 0.000 2.141 167 A HA 0.372 4.692 4.320 -0.000 0.000 0.201 167 A C 0.077 177.377 177.584 -0.473 0.000 1.344 167 A CA 0.000 51.867 52.037 -0.283 0.000 0.971 167 A CB 0.494 19.302 19.000 -0.318 0.000 1.035 167 A HN 0.059 nan 8.150 nan 0.000 0.480 168 F N 0.269 120.199 119.950 -0.033 0.000 2.620 168 F HA 0.511 5.038 4.527 -0.000 0.000 0.320 168 F C -0.811 174.980 175.800 -0.016 0.000 1.069 168 F CA -1.072 56.925 58.000 -0.004 0.000 0.953 168 F CB 1.370 40.378 39.000 0.014 0.000 1.322 168 F HN -0.104 nan 8.300 nan 0.000 0.479 169 D N 0.525 121.053 120.400 0.214 0.000 2.193 169 D HA 0.098 4.737 4.640 -0.000 0.000 0.249 169 D C 0.573 176.925 176.300 0.086 0.000 1.034 169 D CA -0.136 53.926 54.000 0.104 0.000 0.902 169 D CB 1.574 42.420 40.800 0.077 0.000 1.182 169 D HN 0.522 nan 8.370 nan 0.000 0.436 170 D N 0.942 121.360 120.400 0.030 0.000 2.149 170 D HA -0.198 4.441 4.640 -0.000 0.000 0.194 170 D C 1.274 177.531 176.300 -0.071 0.000 1.001 170 D CA 1.038 55.031 54.000 -0.012 0.000 0.849 170 D CB 0.026 40.829 40.800 0.004 0.000 0.939 170 D HN 0.475 nan 8.370 nan 0.000 0.449 171 N N 0.314 118.980 118.700 -0.057 0.000 2.635 171 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 171 N C 0.996 176.442 175.510 -0.108 0.000 1.155 171 N CA 0.493 53.472 53.050 -0.119 0.000 0.927 171 N CB -0.219 38.233 38.487 -0.059 0.000 0.976 171 N HN 0.445 nan 8.380 nan 0.000 0.448 172 Q N -0.092 119.704 119.800 -0.007 0.000 2.281 172 Q HA 0.324 4.664 4.340 -0.000 0.000 0.215 172 Q C -0.128 175.913 176.000 0.067 0.000 0.867 172 Q CA -0.103 55.787 55.803 0.145 0.000 0.940 172 Q CB 0.851 29.753 28.738 0.272 0.000 1.111 172 Q HN 0.330 nan 8.270 nan 0.000 0.513 173 L N 1.526 122.673 121.223 -0.127 0.000 2.261 173 L HA 0.338 4.678 4.340 -0.000 0.000 0.289 173 L C -0.838 175.843 176.870 -0.315 0.000 1.059 173 L CA -0.417 54.320 54.840 -0.172 0.000 0.816 173 L CB 0.375 42.350 42.059 -0.141 0.000 1.191 173 L HN -0.005 nan 8.230 nan 0.000 0.431 174 F N 2.949 122.654 119.950 -0.407 0.000 2.293 174 F HA 0.397 4.924 4.527 -0.000 0.000 0.370 174 F C 0.603 176.156 175.800 -0.411 0.000 1.090 174 F CA -0.667 56.946 58.000 -0.644 0.000 1.133 174 F CB 0.604 39.057 39.000 -0.910 0.000 1.360 174 F HN 0.343 nan 8.300 nan 0.000 0.489 175 R N 2.814 123.246 120.500 -0.112 0.000 2.347 175 R HA 0.373 4.713 4.340 -0.000 0.000 0.304 175 R C -0.552 175.901 176.300 0.255 0.000 1.072 175 R CA -0.782 55.342 56.100 0.041 0.000 0.980 175 R CB 0.716 30.981 30.300 -0.059 0.000 0.986 175 R HN 0.350 nan 8.270 nan 0.000 0.448 176 I N 2.925 123.639 120.570 0.240 0.000 2.556 176 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 176 I C 0.223 176.520 176.117 0.300 0.000 1.114 176 I CA 0.559 62.047 61.300 0.313 0.000 1.418 176 I CB 0.183 38.368 38.000 0.309 0.000 1.394 176 I HN 0.504 nan 8.210 nan 0.000 0.552 177 N N 5.270 124.120 118.700 0.251 0.000 2.549 177 N HA 0.194 4.934 4.740 -0.000 0.000 0.290 177 N C 0.672 176.309 175.510 0.211 0.000 1.122 177 N CA -0.397 52.827 53.050 0.290 0.000 0.885 177 N CB 0.887 39.511 38.487 0.229 0.000 1.455 177 N HN 0.548 nan 8.380 nan 0.000 0.521 178 H N 2.295 121.446 119.070 0.135 0.000 2.251 178 H HA -0.174 4.381 4.556 -0.000 0.000 0.294 178 H C 0.447 175.668 175.328 -0.178 0.000 1.078 178 H CA 2.170 58.159 56.048 -0.098 0.000 1.246 178 H CB 0.240 29.902 29.762 -0.167 0.000 1.358 178 H HN 0.597 nan 8.280 nan 0.000 0.488 179 Y N 0.088 120.370 120.300 -0.030 0.000 2.421 179 Y HA -0.136 4.414 4.550 -0.000 0.000 0.292 179 Y C 2.450 178.364 175.900 0.024 0.000 1.136 179 Y CA 0.252 58.323 58.100 -0.048 0.000 1.255 179 Y CB -0.195 38.199 38.460 -0.111 0.000 0.991 179 Y HN 0.105 nan 8.280 nan 0.000 0.552 180 L N -0.757 120.578 121.223 0.187 0.000 2.156 180 L HA 0.053 4.392 4.340 -0.000 0.000 0.208 180 L C 2.115 178.998 176.870 0.021 0.000 1.095 180 L CA 1.585 56.509 54.840 0.140 0.000 0.770 180 L CB -0.756 41.363 42.059 0.100 0.000 0.914 180 L HN 0.131 nan 8.230 nan 0.000 0.439 181 G N -0.642 108.114 108.800 -0.073 0.000 3.518 181 G HA2 0.061 4.020 3.960 -0.000 0.000 0.273 181 G HA3 0.061 4.020 3.960 -0.000 0.000 0.273 181 G C 0.285 175.122 174.900 -0.105 0.000 1.199 181 G CA -0.339 44.681 45.100 -0.134 0.000 0.899 181 G HN 0.159 nan 8.290 nan 0.000 0.533 182 K N 0.453 120.810 120.400 -0.072 0.000 2.213 182 K HA 0.208 4.528 4.320 -0.000 0.000 0.270 182 K C 0.765 177.335 176.600 -0.050 0.000 1.002 182 K CA -0.505 55.739 56.287 -0.072 0.000 0.868 182 K CB 2.063 34.517 32.500 -0.077 0.000 1.093 182 K HN 0.024 nan 8.250 nan 0.000 0.454 183 E N 2.922 123.099 120.200 -0.039 0.000 2.149 183 E HA -0.275 4.075 4.350 -0.000 0.000 0.215 183 E C 1.451 178.032 176.600 -0.033 0.000 1.055 183 E CA 2.176 58.561 56.400 -0.025 0.000 0.870 183 E CB 0.045 29.747 29.700 0.004 0.000 0.764 183 E HN 0.547 nan 8.360 nan 0.000 0.463 184 M N -0.461 119.131 119.600 -0.014 0.000 2.159 184 M HA -0.106 4.374 4.480 -0.000 0.000 0.263 184 M C 2.338 178.595 176.300 -0.073 0.000 1.063 184 M CA 0.927 56.219 55.300 -0.013 0.000 1.110 184 M CB -0.935 31.681 32.600 0.026 0.000 1.374 184 M HN 0.105 nan 8.290 nan 0.000 0.411 185 V N 0.132 120.000 119.914 -0.077 0.000 2.469 185 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 185 V C 2.217 178.091 176.094 -0.366 0.000 1.064 185 V CA 1.554 63.770 62.300 -0.140 0.000 1.066 185 V CB -0.817 30.987 31.823 -0.032 0.000 0.667 185 V HN 0.536 nan 8.190 nan 0.000 0.461 186 Q N -0.596 119.023 119.800 -0.301 0.000 2.378 186 Q HA -0.056 4.284 4.340 -0.000 0.000 0.205 186 Q C 2.081 177.874 176.000 -0.345 0.000 0.954 186 Q CA 0.576 56.144 55.803 -0.391 0.000 0.901 186 Q CB -0.127 28.498 28.738 -0.189 0.000 0.981 186 Q HN 0.658 nan 8.270 nan 0.000 0.483 187 N N 0.530 119.078 118.700 -0.252 0.000 2.270 187 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 187 N C 1.716 177.064 175.510 -0.269 0.000 1.016 187 N CA 0.783 53.706 53.050 -0.212 0.000 0.870 187 N CB 0.063 38.462 38.487 -0.146 0.000 0.979 187 N HN 0.271 nan 8.380 nan 0.000 0.431 188 I N 1.703 122.082 120.570 -0.318 0.000 2.091 188 I HA -0.357 3.813 4.170 -0.000 0.000 0.240 188 I C 2.499 178.352 176.117 -0.438 0.000 1.046 188 I CA 1.574 62.674 61.300 -0.334 0.000 1.306 188 I CB -0.484 37.328 38.000 -0.314 0.000 1.018 188 I HN 0.091 nan 8.210 nan 0.000 0.404 189 A N 0.502 123.047 122.820 -0.457 0.000 1.908 189 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 189 A C 2.538 179.960 177.584 -0.270 0.000 1.181 189 A CA 2.091 53.958 52.037 -0.284 0.000 0.627 189 A CB -0.904 18.124 19.000 0.048 0.000 0.818 189 A HN 0.496 nan 8.150 nan 0.000 0.445 190 A N -0.688 121.982 122.820 -0.249 0.000 1.877 190 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 190 A C 2.032 179.502 177.584 -0.189 0.000 1.186 190 A CA 1.727 53.642 52.037 -0.204 0.000 0.620 190 A CB -0.574 18.320 19.000 -0.177 0.000 0.822 190 A HN 0.390 nan 8.150 nan 0.000 0.443 191 L N -0.256 120.838 121.223 -0.216 0.000 1.989 191 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 191 L C 2.568 179.355 176.870 -0.138 0.000 1.071 191 L CA 2.319 57.073 54.840 -0.143 0.000 0.749 191 L CB -1.071 40.878 42.059 -0.183 0.000 0.890 191 L HN 0.552 nan 8.230 nan 0.000 0.431 192 R N -1.072 119.147 120.500 -0.468 0.000 2.082 192 R HA -0.191 4.149 4.340 -0.000 0.000 0.228 192 R C 2.299 178.305 176.300 -0.490 0.000 1.140 192 R CA 1.956 57.606 56.100 -0.751 0.000 0.920 192 R CB -0.424 28.836 30.300 -1.734 0.000 0.828 192 R HN 0.210 nan 8.270 nan 0.000 0.430 193 F N -0.130 119.679 119.950 -0.234 0.000 2.456 193 F HA 0.197 4.724 4.527 -0.000 0.000 0.298 193 F C 2.213 177.925 175.800 -0.147 0.000 1.104 193 F CA 0.899 58.791 58.000 -0.180 0.000 1.435 193 F CB -0.573 38.290 39.000 -0.229 0.000 1.078 193 F HN 0.269 nan 8.300 nan 0.000 0.546 194 G N -0.765 108.029 108.800 -0.012 0.000 2.623 194 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.214 194 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.214 194 G C 0.546 175.436 174.900 -0.015 0.000 1.138 194 G CA 0.008 45.088 45.100 -0.034 0.000 0.794 194 G HN 0.169 nan 8.290 nan 0.000 0.535 195 N N 0.502 119.213 118.700 0.019 0.000 2.569 195 N HA 0.236 4.976 4.740 -0.000 0.000 0.254 195 N C -2.260 173.247 175.510 -0.005 0.000 1.004 195 N CA -1.231 51.822 53.050 0.006 0.000 0.904 195 N CB 2.450 40.977 38.487 0.066 0.000 1.165 195 N HN -0.157 nan 8.380 nan 0.000 0.513 196 P HA -0.192 nan 4.420 nan 0.000 0.218 196 P C 1.675 178.924 177.300 -0.085 0.000 1.152 196 P CA 1.192 64.268 63.100 -0.039 0.000 0.857 196 P CB 0.146 31.816 31.700 -0.050 0.000 0.787 197 I N -6.251 114.204 120.570 -0.192 0.000 2.423 197 I HA -0.230 3.940 4.170 -0.000 0.000 0.254 197 I C 1.625 177.575 176.117 -0.279 0.000 1.151 197 I CA 1.900 63.014 61.300 -0.310 0.000 1.421 197 I CB -0.869 36.843 38.000 -0.479 0.000 1.079 197 I HN -0.178 nan 8.210 nan 0.000 0.431 198 F N 1.352 121.288 119.950 -0.022 0.000 2.317 198 F HA 0.042 4.568 4.527 -0.000 0.000 0.290 198 F C 2.256 178.175 175.800 0.198 0.000 1.075 198 F CA 0.834 58.908 58.000 0.125 0.000 1.380 198 F CB -0.945 38.195 39.000 0.234 0.000 1.093 198 F HN 0.106 nan 8.300 nan 0.000 0.524 199 D N 0.714 121.261 120.400 0.245 0.000 2.103 199 D HA -0.207 4.433 4.640 -0.000 0.000 0.190 199 D C 2.198 178.576 176.300 0.129 0.000 0.997 199 D CA 1.802 55.884 54.000 0.136 0.000 0.833 199 D CB -0.369 40.488 40.800 0.095 0.000 0.961 199 D HN 0.118 nan 8.370 nan 0.000 0.447 200 A N -0.180 122.653 122.820 0.022 0.000 2.125 200 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 200 A C 2.138 179.577 177.584 -0.241 0.000 1.156 200 A CA 1.834 53.834 52.037 -0.061 0.000 0.671 200 A CB -0.517 18.433 19.000 -0.083 0.000 0.794 200 A HN 0.346 nan 8.150 nan 0.000 0.459 201 A N -2.520 120.118 122.820 -0.303 0.000 2.267 201 A HA 0.141 4.461 4.320 -0.000 0.000 0.213 201 A C 0.866 178.424 177.584 -0.045 0.000 1.192 201 A CA -0.393 51.252 52.037 -0.652 0.000 0.851 201 A CB -0.284 18.357 19.000 -0.599 0.000 0.881 201 A HN 0.659 nan 8.150 nan 0.000 0.494 202 W N 3.689 124.962 121.300 -0.045 0.000 1.828 202 W HA 0.194 4.854 4.660 -0.000 0.000 0.470 202 W C -0.378 176.046 176.519 -0.158 0.000 0.786 202 W CA 0.417 57.775 57.345 0.023 0.000 1.816 202 W CB -0.561 28.914 29.460 0.025 0.000 1.798 202 W HN 0.664 nan 8.180 nan 0.000 0.252 203 N N 0.760 119.389 118.700 -0.118 0.000 3.373 203 N HA -0.019 4.721 4.740 -0.000 0.000 0.275 203 N C 0.604 176.057 175.510 -0.095 0.000 1.489 203 N CA -0.664 52.185 53.050 -0.336 0.000 0.872 203 N CB 0.451 38.822 38.487 -0.193 0.000 1.555 203 N HN 0.059 nan 8.380 nan 0.000 0.500 204 K N -0.260 120.079 120.400 -0.103 0.000 2.063 204 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 204 K C 0.522 177.153 176.600 0.051 0.000 1.048 204 K CA 2.009 58.309 56.287 0.021 0.000 0.928 204 K CB -0.336 32.171 32.500 0.011 0.000 0.713 204 K HN 0.324 nan 8.250 nan 0.000 0.442 205 D N 0.334 120.773 120.400 0.066 0.000 2.149 205 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 205 D C 1.619 177.887 176.300 -0.054 0.000 0.990 205 D CA 1.441 55.441 54.000 -0.000 0.000 0.839 205 D CB -0.155 40.638 40.800 -0.011 0.000 0.948 205 D HN 0.421 nan 8.370 nan 0.000 0.460 206 Y N -0.226 120.106 120.300 0.054 0.000 2.524 206 Y HA 0.310 4.860 4.550 -0.000 0.000 0.270 206 Y C 1.134 177.149 175.900 0.193 0.000 1.094 206 Y CA -0.274 57.908 58.100 0.138 0.000 1.276 206 Y CB 0.590 39.162 38.460 0.187 0.000 1.130 206 Y HN -0.181 nan 8.280 nan 0.000 0.536 207 I N 0.828 121.524 120.570 0.210 0.000 2.353 207 I HA 0.132 4.302 4.170 -0.000 0.000 0.293 207 I C 1.226 177.320 176.117 -0.038 0.000 0.992 207 I CA -0.434 60.855 61.300 -0.017 0.000 1.268 207 I CB 1.663 39.555 38.000 -0.179 0.000 1.387 207 I HN -0.054 nan 8.210 nan 0.000 0.478 208 K N 4.320 124.665 120.400 -0.090 0.000 2.099 208 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 208 K C -0.016 176.514 176.600 -0.116 0.000 1.047 208 K CA 1.088 57.336 56.287 -0.065 0.000 0.963 208 K CB 0.146 32.620 32.500 -0.043 0.000 0.759 208 K HN 0.902 nan 8.250 nan 0.000 0.451 209 N N -2.343 116.232 118.700 -0.207 0.000 3.043 209 N HA 0.164 4.904 4.740 -0.000 0.000 0.243 209 N C -1.609 173.658 175.510 -0.406 0.000 1.347 209 N CA -0.832 52.051 53.050 -0.279 0.000 0.896 209 N CB 1.515 39.982 38.487 -0.034 0.000 1.501 209 N HN -0.286 nan 8.380 nan 0.000 0.504 210 V N 0.368 119.926 119.914 -0.594 0.000 2.628 210 V HA 0.568 4.688 4.120 -0.000 0.000 0.306 210 V C -0.622 175.338 176.094 -0.223 0.000 1.045 210 V CA -0.509 61.461 62.300 -0.550 0.000 0.905 210 V CB 1.514 32.754 31.823 -0.972 0.000 0.997 210 V HN 0.698 nan 8.190 nan 0.000 0.436 211 Q N 2.445 122.210 119.800 -0.058 0.000 2.304 211 Q HA 0.700 5.040 4.340 -0.000 0.000 0.270 211 Q C -1.584 174.533 176.000 0.195 0.000 1.035 211 Q CA -0.645 55.258 55.803 0.168 0.000 0.781 211 Q CB 2.900 31.778 28.738 0.232 0.000 1.261 211 Q HN 0.560 nan 8.270 nan 0.000 0.444 212 V N 1.762 121.833 119.914 0.260 0.000 2.448 212 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 212 V C -0.416 175.758 176.094 0.133 0.000 1.025 212 V CA -0.508 61.888 62.300 0.161 0.000 0.859 212 V CB 1.957 33.859 31.823 0.131 0.000 0.988 212 V HN 0.778 nan 8.190 nan 0.000 0.431 213 T N 6.338 120.914 114.554 0.036 0.000 2.881 213 T HA 0.529 4.878 4.350 -0.000 0.000 0.291 213 T C -0.738 173.898 174.700 -0.107 0.000 0.990 213 T CA -0.375 61.686 62.100 -0.066 0.000 0.976 213 T CB 1.136 69.948 68.868 -0.092 0.000 0.970 213 T HN 0.276 nan 8.240 nan 0.000 0.438 214 L N 3.206 124.353 121.223 -0.126 0.000 2.408 214 L HA 0.458 4.797 4.340 -0.000 0.000 0.257 214 L C 0.289 177.107 176.870 -0.087 0.000 1.053 214 L CA -0.270 54.493 54.840 -0.128 0.000 0.922 214 L CB 0.879 42.831 42.059 -0.178 0.000 1.261 214 L HN 0.597 nan 8.230 nan 0.000 0.458 215 S N 2.551 118.209 115.700 -0.070 0.000 2.525 215 S HA 0.608 5.078 4.470 -0.000 0.000 0.290 215 S C -0.378 174.237 174.600 0.024 0.000 1.152 215 S CA -0.362 57.832 58.200 -0.011 0.000 1.072 215 S CB 1.409 64.603 63.200 -0.010 0.000 1.027 215 S HN 0.561 nan 8.310 nan 0.000 0.500 216 E N 2.204 122.440 120.200 0.060 0.000 2.272 216 E HA 0.293 4.643 4.350 -0.000 0.000 0.269 216 E C 0.076 176.714 176.600 0.063 0.000 0.877 216 E CA -0.606 55.831 56.400 0.060 0.000 0.755 216 E CB 1.983 31.719 29.700 0.061 0.000 1.192 216 E HN 0.380 nan 8.360 nan 0.000 0.422 217 V N 3.828 123.774 119.914 0.054 0.000 2.535 217 V HA 0.081 4.201 4.120 -0.000 0.000 0.246 217 V C 0.697 176.791 176.094 0.001 0.000 1.045 217 V CA 0.826 63.160 62.300 0.057 0.000 1.058 217 V CB 0.033 31.901 31.823 0.074 0.000 0.689 217 V HN 0.510 nan 8.190 nan 0.000 0.461 218 L N 0.453 121.662 121.223 -0.023 0.000 2.476 218 L HA 0.390 4.730 4.340 -0.000 0.000 0.264 218 L C 1.186 177.984 176.870 -0.119 0.000 1.224 218 L CA 0.603 55.395 54.840 -0.080 0.000 0.821 218 L CB 0.021 42.052 42.059 -0.046 0.000 1.101 218 L HN 0.309 nan 8.230 nan 0.000 0.488 219 G N -0.128 108.577 108.800 -0.159 0.000 2.695 219 G HA2 0.298 4.258 3.960 -0.000 0.000 0.213 219 G HA3 0.298 4.258 3.960 -0.000 0.000 0.213 219 G C 0.637 175.530 174.900 -0.011 0.000 1.406 219 G CA -0.328 44.696 45.100 -0.127 0.000 1.049 219 G HN 0.403 nan 8.290 nan 0.000 0.573 220 V N -0.508 119.484 119.914 0.131 0.000 2.548 220 V HA 0.020 4.140 4.120 -0.000 0.000 0.249 220 V C 1.783 177.887 176.094 0.016 0.000 1.055 220 V CA 2.763 65.079 62.300 0.027 0.000 1.065 220 V CB -0.935 31.017 31.823 0.216 0.000 0.681 220 V HN 0.961 nan 8.190 nan 0.000 0.462 221 E N -0.367 119.855 120.200 0.037 0.000 3.437 221 E HA -0.367 3.983 4.350 -0.000 0.000 0.407 221 E C 1.437 178.056 176.600 0.032 0.000 1.489 221 E CA 1.786 58.196 56.400 0.017 0.000 1.375 221 E CB -1.297 28.402 29.700 -0.001 0.000 1.472 221 E HN 0.727 nan 8.360 nan 0.000 0.418 222 E N 0.721 120.944 120.200 0.039 0.000 2.514 222 E HA 0.056 4.406 4.350 -0.000 0.000 0.215 222 E C 1.309 177.959 176.600 0.083 0.000 0.946 222 E CA -0.022 56.410 56.400 0.055 0.000 1.038 222 E CB 0.336 30.066 29.700 0.051 0.000 1.069 222 E HN 0.151 nan 8.360 nan 0.000 0.503 223 R N 1.258 121.811 120.500 0.088 0.000 2.357 223 R HA 0.166 4.506 4.340 -0.000 0.000 0.202 223 R C 1.887 178.313 176.300 0.209 0.000 1.047 223 R CA 0.743 56.927 56.100 0.141 0.000 1.034 223 R CB -0.842 29.523 30.300 0.108 0.000 0.875 223 R HN 0.310 nan 8.270 nan 0.000 0.473 224 A N 1.120 124.046 122.820 0.175 0.000 1.915 224 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 224 A C 2.384 180.105 177.584 0.229 0.000 1.198 224 A CA 2.159 54.324 52.037 0.213 0.000 0.647 224 A CB -1.209 17.852 19.000 0.102 0.000 0.825 224 A HN 0.412 nan 8.150 nan 0.000 0.456 225 G N -1.670 107.241 108.800 0.186 0.000 2.672 225 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.218 225 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.218 225 G C 1.594 176.654 174.900 0.267 0.000 1.238 225 G CA 1.597 46.809 45.100 0.187 0.000 0.791 225 G HN 0.603 nan 8.290 nan 0.000 0.606 226 Y N -0.193 120.196 120.300 0.148 0.000 2.337 226 Y HA 0.085 4.635 4.550 -0.000 0.000 0.293 226 Y C 2.423 178.435 175.900 0.186 0.000 1.123 226 Y CA 0.393 58.581 58.100 0.145 0.000 1.201 226 Y CB -0.559 37.986 38.460 0.141 0.000 1.011 226 Y HN 0.302 nan 8.280 nan 0.000 0.545 227 Y N 0.925 121.271 120.300 0.076 0.000 2.224 227 Y HA -0.218 4.332 4.550 -0.000 0.000 0.289 227 Y C 2.224 178.146 175.900 0.037 0.000 1.146 227 Y CA 2.179 60.281 58.100 0.003 0.000 1.182 227 Y CB -0.581 37.944 38.460 0.109 0.000 0.983 227 Y HN 0.218 nan 8.280 nan 0.000 0.524 228 D N -1.161 119.361 120.400 0.203 0.000 2.221 228 D HA -0.163 4.477 4.640 -0.000 0.000 0.204 228 D C 1.632 177.944 176.300 0.020 0.000 0.982 228 D CA 1.881 55.980 54.000 0.165 0.000 0.857 228 D CB -0.098 40.815 40.800 0.188 0.000 0.934 228 D HN 0.472 nan 8.370 nan 0.000 0.475 229 T N -3.924 110.611 114.554 -0.032 0.000 3.092 229 T HA 0.592 4.942 4.350 -0.000 0.000 0.258 229 T C 1.159 175.772 174.700 -0.145 0.000 1.031 229 T CA 0.176 62.251 62.100 -0.043 0.000 0.925 229 T CB 0.989 69.883 68.868 0.043 0.000 1.036 229 T HN 0.070 nan 8.240 nan 0.000 0.544 230 A N 1.160 123.795 122.820 -0.309 0.000 1.995 230 A HA 0.770 5.090 4.320 -0.000 0.000 0.200 230 A C 1.521 178.872 177.584 -0.388 0.000 1.566 230 A CA 0.536 52.355 52.037 -0.364 0.000 0.895 230 A CB -0.444 18.204 19.000 -0.586 0.000 1.046 230 A HN 1.285 nan 8.150 nan 0.000 0.523 231 G N -1.387 106.970 108.800 -0.738 0.000 2.752 231 G HA2 0.142 4.102 3.960 -0.000 0.000 0.234 231 G HA3 0.142 4.102 3.960 -0.000 0.000 0.234 231 G C 1.042 175.604 174.900 -0.563 0.000 1.367 231 G CA 0.482 45.080 45.100 -0.837 0.000 0.879 231 G HN 1.548 nan 8.290 nan 0.000 0.563 232 A N -1.194 121.493 122.820 -0.222 0.000 1.902 232 A HA 0.165 4.485 4.320 -0.000 0.000 0.217 232 A C 2.641 180.207 177.584 -0.031 0.000 1.181 232 A CA 2.670 54.709 52.037 0.003 0.000 0.623 232 A CB -0.392 18.642 19.000 0.058 0.000 0.818 232 A HN 1.848 nan 8.150 nan 0.000 0.443 233 L N -0.952 120.255 121.223 -0.027 0.000 2.010 233 L HA -0.212 4.127 4.340 -0.000 0.000 0.219 233 L C 2.106 178.945 176.870 -0.051 0.000 1.077 233 L CA 2.116 56.954 54.840 -0.003 0.000 0.773 233 L CB -0.514 41.571 42.059 0.044 0.000 0.892 233 L HN 0.311 nan 8.230 nan 0.000 0.436 234 L N -1.327 119.859 121.223 -0.063 0.000 2.253 234 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 234 L C 2.119 178.943 176.870 -0.077 0.000 1.078 234 L CA 1.467 56.276 54.840 -0.053 0.000 0.805 234 L CB -0.900 41.188 42.059 0.049 0.000 0.963 234 L HN 0.322 nan 8.230 nan 0.000 0.459 235 D N -0.979 119.381 120.400 -0.066 0.000 2.084 235 D HA -0.183 4.457 4.640 -0.000 0.000 0.194 235 D C 1.980 178.271 176.300 -0.015 0.000 0.990 235 D CA 1.654 55.662 54.000 0.013 0.000 0.826 235 D CB 0.263 41.152 40.800 0.149 0.000 0.971 235 D HN 0.017 nan 8.370 nan 0.000 0.453 236 M N -0.574 119.021 119.600 -0.008 0.000 2.838 236 M HA 0.104 4.584 4.480 -0.000 0.000 0.251 236 M C 1.926 178.174 176.300 -0.085 0.000 1.393 236 M CA 0.140 55.432 55.300 -0.014 0.000 1.196 236 M CB -0.258 32.362 32.600 0.034 0.000 1.276 236 M HN 0.063 nan 8.290 nan 0.000 0.541 237 I N 0.760 121.292 120.570 -0.062 0.000 2.110 237 I HA -0.239 3.931 4.170 -0.000 0.000 0.236 237 I C 2.493 178.559 176.117 -0.085 0.000 1.068 237 I CA 1.493 62.775 61.300 -0.031 0.000 1.333 237 I CB -1.463 36.564 38.000 0.044 0.000 1.054 237 I HN 0.391 nan 8.210 nan 0.000 0.402 238 Q N 1.628 121.325 119.800 -0.173 0.000 2.217 238 Q HA -0.246 4.094 4.340 -0.000 0.000 0.209 238 Q C 1.587 177.367 176.000 -0.367 0.000 0.988 238 Q CA 2.594 58.195 55.803 -0.336 0.000 0.878 238 Q CB -0.153 28.211 28.738 -0.622 0.000 0.909 238 Q HN 0.856 nan 8.270 nan 0.000 0.424 239 N N -2.249 116.254 118.700 -0.328 0.000 2.622 239 N HA -0.053 4.687 4.740 -0.000 0.000 0.213 239 N C 1.782 177.203 175.510 -0.148 0.000 1.037 239 N CA 0.380 53.253 53.050 -0.295 0.000 0.999 239 N CB -0.556 37.708 38.487 -0.371 0.000 1.342 239 N HN 0.079 nan 8.380 nan 0.000 0.465 240 H N 0.556 119.606 119.070 -0.033 0.000 2.284 240 H HA 0.083 4.639 4.556 -0.000 0.000 0.304 240 H C 1.840 177.134 175.328 -0.056 0.000 1.069 240 H CA 1.888 57.908 56.048 -0.046 0.000 1.327 240 H CB -0.815 28.783 29.762 -0.274 0.000 1.387 240 H HN 0.277 nan 8.280 nan 0.000 0.498 241 T N 1.759 116.334 114.554 0.036 0.000 2.607 241 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 241 T C 2.217 176.954 174.700 0.060 0.000 1.049 241 T CA 1.761 63.881 62.100 0.032 0.000 1.162 241 T CB -0.354 68.529 68.868 0.026 0.000 0.863 241 T HN 0.046 nan 8.240 nan 0.000 0.424 242 M N 1.133 120.754 119.600 0.035 0.000 2.106 242 M HA -0.119 4.361 4.480 -0.000 0.000 0.259 242 M C 2.200 178.583 176.300 0.139 0.000 1.068 242 M CA 1.561 56.893 55.300 0.052 0.000 1.100 242 M CB -0.548 32.031 32.600 -0.035 0.000 1.351 242 M HN 0.070 nan 8.290 nan 0.000 0.404 243 Q N -0.777 119.089 119.800 0.109 0.000 2.187 243 Q HA 0.030 4.370 4.340 -0.000 0.000 0.199 243 Q C 2.277 178.385 176.000 0.180 0.000 0.957 243 Q CA 1.290 57.184 55.803 0.152 0.000 0.857 243 Q CB -0.341 28.453 28.738 0.094 0.000 0.929 243 Q HN 0.573 nan 8.270 nan 0.000 0.453 244 I N 0.046 120.729 120.570 0.188 0.000 2.226 244 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 244 I C 2.204 178.427 176.117 0.176 0.000 1.100 244 I CA 0.714 62.150 61.300 0.228 0.000 1.374 244 I CB -0.291 37.809 38.000 0.166 0.000 1.057 244 I HN -0.044 nan 8.210 nan 0.000 0.413 245 V N 1.224 121.196 119.914 0.098 0.000 2.380 245 V HA -0.276 3.843 4.120 -0.000 0.000 0.251 245 V C 2.595 178.597 176.094 -0.152 0.000 1.063 245 V CA 2.212 64.511 62.300 -0.002 0.000 1.055 245 V CB -1.509 30.299 31.823 -0.025 0.000 0.657 245 V HN 0.608 nan 8.190 nan 0.000 0.455 246 G N -1.615 107.108 108.800 -0.128 0.000 2.440 246 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 246 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 246 G C 1.397 176.161 174.900 -0.226 0.000 1.154 246 G CA 0.696 45.570 45.100 -0.376 0.000 0.767 246 G HN 0.604 nan 8.290 nan 0.000 0.552 247 W N 0.502 121.757 121.300 -0.076 0.000 2.388 247 W HA 0.099 4.759 4.660 -0.000 0.000 0.294 247 W C 2.553 179.036 176.519 -0.059 0.000 1.212 247 W CA 0.148 57.471 57.345 -0.037 0.000 1.271 247 W CB -0.013 29.445 29.460 -0.003 0.000 1.126 247 W HN 0.114 nan 8.180 nan 0.000 0.535 248 L N -0.742 120.605 121.223 0.207 0.000 2.095 248 L HA -0.049 4.290 4.340 -0.000 0.000 0.204 248 L C 2.467 179.433 176.870 0.159 0.000 1.080 248 L CA 1.200 56.172 54.840 0.219 0.000 0.759 248 L CB -1.074 41.112 42.059 0.212 0.000 0.914 248 L HN -0.084 nan 8.230 nan 0.000 0.439 249 A N 0.157 122.820 122.820 -0.262 0.000 2.218 249 A HA 0.127 4.447 4.320 -0.000 0.000 0.209 249 A C 1.274 178.782 177.584 -0.128 0.000 1.168 249 A CA -0.284 51.377 52.037 -0.626 0.000 0.804 249 A CB -0.441 17.434 19.000 -1.874 0.000 0.834 249 A HN 0.396 nan 8.150 nan 0.000 0.482 250 M N -0.722 118.835 119.600 -0.071 0.000 2.245 250 M HA 0.210 4.690 4.480 -0.000 0.000 0.312 250 M C -0.120 176.288 176.300 0.180 0.000 1.070 250 M CA 0.348 55.651 55.300 0.005 0.000 1.162 250 M CB 0.274 32.888 32.600 0.023 0.000 1.448 250 M HN 0.038 nan 8.290 nan 0.000 0.446 251 E N 1.688 121.960 120.200 0.121 0.000 2.869 251 E HA 0.225 4.575 4.350 -0.000 0.000 0.258 251 E C -0.957 175.741 176.600 0.164 0.000 1.354 251 E CA -0.354 56.120 56.400 0.124 0.000 1.065 251 E CB 0.561 30.293 29.700 0.054 0.000 1.215 251 E HN 0.602 nan 8.360 nan 0.000 0.659 252 K N 2.490 122.960 120.400 0.116 0.000 2.267 252 K HA 0.209 4.528 4.320 -0.000 0.000 0.282 252 K C -2.139 174.415 176.600 -0.077 0.000 1.078 252 K CA -1.596 54.724 56.287 0.053 0.000 0.903 252 K CB 0.488 33.038 32.500 0.083 0.000 1.111 252 K HN 0.165 nan 8.250 nan 0.000 0.475 253 P HA 0.001 nan 4.420 nan 0.000 0.270 253 P C -0.200 177.031 177.300 -0.115 0.000 1.223 253 P CA -0.067 62.960 63.100 -0.120 0.000 0.785 253 P CB 0.789 32.422 31.700 -0.111 0.000 0.923 254 E N -0.226 119.935 120.200 -0.066 0.000 2.418 254 E HA -0.000 4.350 4.350 -0.000 0.000 0.197 254 E C 0.908 177.481 176.600 -0.045 0.000 1.026 254 E CA 0.727 57.096 56.400 -0.050 0.000 0.862 254 E CB 0.033 29.714 29.700 -0.031 0.000 0.799 254 E HN 0.655 nan 8.360 nan 0.000 0.518 255 S N -1.491 114.186 115.700 -0.038 0.000 2.660 255 S HA 0.232 4.701 4.470 -0.000 0.000 0.264 255 S C -0.690 173.963 174.600 0.088 0.000 1.131 255 S CA -0.791 57.412 58.200 0.004 0.000 0.846 255 S CB -0.108 63.100 63.200 0.014 0.000 1.151 255 S HN -0.058 nan 8.310 nan 0.000 0.486 256 F N 2.779 122.678 119.950 -0.085 0.000 2.668 256 F HA 0.345 4.872 4.527 -0.000 0.000 0.297 256 F C 1.227 177.018 175.800 -0.015 0.000 1.124 256 F CA 0.039 58.007 58.000 -0.054 0.000 1.353 256 F CB -0.362 38.617 39.000 -0.035 0.000 0.992 256 F HN 0.812 nan 8.300 nan 0.000 0.524 257 T N -2.079 112.460 114.554 -0.024 0.000 2.907 257 T HA 0.071 4.421 4.350 -0.000 0.000 0.298 257 T C 1.324 175.937 174.700 -0.144 0.000 1.017 257 T CA -0.228 61.827 62.100 -0.075 0.000 1.118 257 T CB 1.017 69.866 68.868 -0.033 0.000 0.948 257 T HN 0.292 nan 8.240 nan 0.000 0.531 258 D N 1.818 122.127 120.400 -0.151 0.000 2.203 258 D HA -0.261 4.379 4.640 -0.000 0.000 0.199 258 D C 1.597 177.820 176.300 -0.129 0.000 0.997 258 D CA 1.490 55.396 54.000 -0.156 0.000 0.863 258 D CB -0.233 40.503 40.800 -0.106 0.000 0.928 258 D HN 0.769 nan 8.370 nan 0.000 0.458 259 K N 0.526 120.872 120.400 -0.091 0.000 2.002 259 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 259 K C 1.594 178.151 176.600 -0.071 0.000 1.048 259 K CA 1.639 57.883 56.287 -0.071 0.000 0.930 259 K CB 0.017 32.490 32.500 -0.046 0.000 0.714 259 K HN -0.081 nan 8.250 nan 0.000 0.438 260 D N 0.791 121.151 120.400 -0.066 0.000 2.117 260 D HA -0.130 4.509 4.640 -0.000 0.000 0.198 260 D C 2.003 178.257 176.300 -0.076 0.000 0.982 260 D CA 1.099 55.064 54.000 -0.058 0.000 0.828 260 D CB -0.132 40.643 40.800 -0.042 0.000 0.967 260 D HN 0.314 nan 8.370 nan 0.000 0.464 261 I N 0.739 121.241 120.570 -0.113 0.000 2.163 261 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 261 I C 2.563 178.575 176.117 -0.175 0.000 1.085 261 I CA 1.116 62.326 61.300 -0.150 0.000 1.347 261 I CB -0.204 37.640 38.000 -0.261 0.000 1.044 261 I HN -0.082 nan 8.210 nan 0.000 0.408 262 R N 0.708 121.111 120.500 -0.162 0.000 2.081 262 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 262 R C 2.504 178.759 176.300 -0.075 0.000 1.131 262 R CA 1.489 57.509 56.100 -0.133 0.000 0.960 262 R CB -0.459 29.770 30.300 -0.117 0.000 0.856 262 R HN 0.375 nan 8.270 nan 0.000 0.436 263 A N 1.160 123.944 122.820 -0.059 0.000 1.933 263 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 263 A C 2.341 179.909 177.584 -0.026 0.000 1.175 263 A CA 1.746 53.764 52.037 -0.031 0.000 0.628 263 A CB -0.615 18.369 19.000 -0.027 0.000 0.814 263 A HN 0.420 nan 8.150 nan 0.000 0.444 264 A N -0.075 122.720 122.820 -0.041 0.000 1.858 264 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 264 A C 2.121 179.677 177.584 -0.048 0.000 1.190 264 A CA 1.820 53.840 52.037 -0.030 0.000 0.617 264 A CB -0.472 18.515 19.000 -0.022 0.000 0.827 264 A HN 0.536 nan 8.150 nan 0.000 0.443 265 K N -0.291 120.054 120.400 -0.091 0.000 2.057 265 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 265 K C 1.762 178.344 176.600 -0.031 0.000 1.049 265 K CA 1.390 57.590 56.287 -0.146 0.000 0.931 265 K CB -0.268 32.152 32.500 -0.134 0.000 0.714 265 K HN 0.391 nan 8.250 nan 0.000 0.440 266 N N 1.090 119.842 118.700 0.087 0.000 2.166 266 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 266 N C 1.728 177.294 175.510 0.093 0.000 1.019 266 N CA 1.290 54.433 53.050 0.155 0.000 0.856 266 N CB -0.333 38.193 38.487 0.066 0.000 0.993 266 N HN 0.192 nan 8.380 nan 0.000 0.426 267 A N 0.906 123.747 122.820 0.036 0.000 1.948 267 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 267 A C 2.353 179.968 177.584 0.052 0.000 1.177 267 A CA 2.057 54.116 52.037 0.036 0.000 0.636 267 A CB -0.680 18.335 19.000 0.024 0.000 0.815 267 A HN 0.351 nan 8.150 nan 0.000 0.449 268 A N -1.126 121.691 122.820 -0.006 0.000 1.840 268 A HA 0.151 4.471 4.320 -0.000 0.000 0.214 268 A C 1.878 179.543 177.584 0.135 0.000 1.198 268 A CA 1.326 53.355 52.037 -0.013 0.000 0.608 268 A CB -0.777 17.995 19.000 -0.380 0.000 0.839 268 A HN 0.404 nan 8.150 nan 0.000 0.443 269 F N 1.382 121.381 119.950 0.081 0.000 2.120 269 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 269 F C 2.097 177.848 175.800 -0.082 0.000 1.095 269 F CA 1.595 59.580 58.000 -0.025 0.000 1.249 269 F CB -0.612 38.326 39.000 -0.105 0.000 0.995 269 F HN 0.236 nan 8.300 nan 0.000 0.480 270 N N -0.184 118.598 118.700 0.136 0.000 2.453 270 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 270 N C 1.748 177.269 175.510 0.018 0.000 1.041 270 N CA 1.067 54.144 53.050 0.045 0.000 0.900 270 N CB -0.351 38.159 38.487 0.038 0.000 0.961 270 N HN 0.299 nan 8.380 nan 0.000 0.443 271 A N 0.023 122.871 122.820 0.046 0.000 2.220 271 A HA 0.153 4.473 4.320 -0.000 0.000 0.211 271 A C 0.787 178.303 177.584 -0.114 0.000 1.176 271 A CA -0.344 51.713 52.037 0.033 0.000 0.834 271 A CB 0.018 19.107 19.000 0.148 0.000 0.868 271 A HN 0.182 nan 8.150 nan 0.000 0.488 272 L N 0.646 121.697 121.223 -0.288 0.000 2.490 272 L HA 0.239 4.578 4.340 -0.000 0.000 0.274 272 L C 0.339 176.972 176.870 -0.395 0.000 1.201 272 L CA 0.254 54.691 54.840 -0.672 0.000 0.869 272 L CB 0.199 41.784 42.059 -0.790 0.000 1.123 272 L HN 0.240 nan 8.230 nan 0.000 0.484 273 K N 5.215 125.371 120.400 -0.406 0.000 2.234 273 K HA 0.402 4.722 4.320 -0.000 0.000 0.282 273 K C -0.891 175.543 176.600 -0.278 0.000 1.039 273 K CA -0.490 55.660 56.287 -0.229 0.000 0.928 273 K CB 0.491 32.939 32.500 -0.086 0.000 1.039 273 K HN 0.552 nan 8.250 nan 0.000 0.470 274 I N 5.608 126.087 120.570 -0.152 0.000 2.353 274 I HA 0.167 4.337 4.170 -0.000 0.000 0.293 274 I C -0.124 175.944 176.117 -0.081 0.000 0.992 274 I CA -0.606 60.603 61.300 -0.151 0.000 1.268 274 I CB 0.210 38.156 38.000 -0.090 0.000 1.387 274 I HN 0.558 nan 8.210 nan 0.000 0.478 275 Y N 4.239 124.516 120.300 -0.038 0.000 2.392 275 Y HA 0.343 4.893 4.550 -0.000 0.000 0.323 275 Y C 0.765 176.627 175.900 -0.063 0.000 1.291 275 Y CA -1.172 56.915 58.100 -0.021 0.000 1.345 275 Y CB 0.535 38.991 38.460 -0.007 0.000 1.320 275 Y HN 0.580 nan 8.280 nan 0.000 0.518 276 D N -1.279 119.220 120.400 0.165 0.000 2.616 276 D HA 0.161 4.801 4.640 -0.000 0.000 0.260 276 D C 0.777 177.089 176.300 0.021 0.000 1.158 276 D CA -0.582 53.450 54.000 0.054 0.000 1.085 276 D CB 0.291 41.117 40.800 0.044 0.000 1.222 276 D HN 0.603 nan 8.370 nan 0.000 0.626 277 E N -0.380 119.819 120.200 -0.001 0.000 2.023 277 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 277 E C 2.005 178.598 176.600 -0.013 0.000 1.003 277 E CA 1.668 58.063 56.400 -0.008 0.000 0.809 277 E CB -0.388 29.310 29.700 -0.003 0.000 0.755 277 E HN 0.505 nan 8.360 nan 0.000 0.449 278 A N 0.995 123.803 122.820 -0.020 0.000 1.883 278 A HA -0.276 4.043 4.320 -0.000 0.000 0.217 278 A C 1.969 179.488 177.584 -0.107 0.000 1.186 278 A CA 2.007 54.014 52.037 -0.049 0.000 0.624 278 A CB -0.695 18.279 19.000 -0.043 0.000 0.822 278 A HN 0.393 nan 8.150 nan 0.000 0.444 279 E N -0.497 119.636 120.200 -0.112 0.000 2.077 279 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 279 E C 1.946 178.396 176.600 -0.249 0.000 0.989 279 E CA 1.247 57.494 56.400 -0.256 0.000 0.800 279 E CB -0.296 29.293 29.700 -0.185 0.000 0.746 279 E HN 0.401 nan 8.360 nan 0.000 0.452 280 V N 2.175 122.052 119.914 -0.062 0.000 2.490 280 V HA -0.245 3.874 4.120 -0.000 0.000 0.250 280 V C 1.900 178.058 176.094 0.108 0.000 1.061 280 V CA 1.473 63.799 62.300 0.044 0.000 1.064 280 V CB -0.466 31.326 31.823 -0.051 0.000 0.670 280 V HN 0.315 nan 8.190 nan 0.000 0.461 281 N N -0.114 118.604 118.700 0.030 0.000 2.331 281 N HA -0.136 4.604 4.740 -0.000 0.000 0.180 281 N C 1.899 177.401 175.510 -0.013 0.000 1.019 281 N CA 1.142 54.221 53.050 0.048 0.000 0.881 281 N CB 0.102 38.598 38.487 0.015 0.000 0.972 281 N HN 0.546 nan 8.380 nan 0.000 0.435 282 K N 0.026 120.328 120.400 -0.163 0.000 2.078 282 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 282 K C 1.037 177.478 176.600 -0.267 0.000 1.043 282 K CA 0.809 56.900 56.287 -0.327 0.000 0.960 282 K CB 0.005 32.103 32.500 -0.671 0.000 0.761 282 K HN 0.000 nan 8.250 nan 0.000 0.448 283 Y N -0.665 119.627 120.300 -0.013 0.000 2.490 283 Y HA 0.246 4.796 4.550 -0.000 0.000 0.281 283 Y C -0.119 175.839 175.900 0.097 0.000 1.174 283 Y CA -0.088 58.028 58.100 0.026 0.000 1.295 283 Y CB 0.170 38.571 38.460 -0.098 0.000 1.062 283 Y HN -0.094 nan 8.280 nan 0.000 0.522 284 F N -1.663 118.417 119.950 0.218 0.000 2.603 284 F HA 0.650 5.177 4.527 -0.000 0.000 0.317 284 F C -0.691 175.257 175.800 0.245 0.000 1.066 284 F CA -1.674 56.485 58.000 0.264 0.000 0.941 284 F CB 1.866 41.024 39.000 0.264 0.000 1.291 284 F HN -0.553 nan 8.300 nan 0.000 0.472 285 V N 2.627 122.795 119.914 0.424 0.000 2.686 285 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 285 V C -0.910 175.397 176.094 0.354 0.000 1.065 285 V CA -0.909 61.591 62.300 0.333 0.000 0.894 285 V CB 2.101 34.097 31.823 0.288 0.000 1.004 285 V HN 0.716 nan 8.190 nan 0.000 0.424 286 R N 3.772 124.398 120.500 0.211 0.000 2.534 286 R HA 0.903 5.242 4.340 -0.000 0.000 0.301 286 R C -0.988 175.370 176.300 0.098 0.000 0.961 286 R CA -0.199 55.932 56.100 0.051 0.000 0.871 286 R CB 1.968 31.960 30.300 -0.513 0.000 1.170 286 R HN 0.868 nan 8.270 nan 0.000 0.446 287 A N 3.162 126.113 122.820 0.218 0.000 2.594 287 A HA 0.436 4.756 4.320 -0.000 0.000 0.291 287 A C -1.745 176.028 177.584 0.317 0.000 1.105 287 A CA -0.761 51.440 52.037 0.272 0.000 0.694 287 A CB 2.304 21.502 19.000 0.329 0.000 1.291 287 A HN 0.738 nan 8.150 nan 0.000 0.410 288 Q N 0.462 120.398 119.800 0.228 0.000 2.323 288 Q HA 0.566 4.905 4.340 -0.000 0.000 0.271 288 Q C -1.641 174.217 176.000 -0.236 0.000 1.048 288 Q CA -0.795 55.011 55.803 0.004 0.000 0.792 288 Q CB 1.535 30.224 28.738 -0.081 0.000 1.280 288 Q HN 0.908 nan 8.270 nan 0.000 0.441 289 Y N 1.463 121.463 120.300 -0.501 0.000 2.425 289 Y HA 0.638 5.188 4.550 -0.000 0.000 0.331 289 Y C 0.336 176.043 175.900 -0.322 0.000 1.157 289 Y CA 0.048 57.636 58.100 -0.853 0.000 1.372 289 Y CB 0.533 38.578 38.460 -0.692 0.000 1.253 289 Y HN 0.581 nan 8.280 nan 0.000 0.536 290 G N 1.490 110.230 108.800 -0.100 0.000 2.782 290 G HA2 0.596 4.556 3.960 -0.000 0.000 0.201 290 G HA3 0.596 4.556 3.960 -0.000 0.000 0.201 290 G C -0.820 174.151 174.900 0.118 0.000 1.374 290 G CA -0.795 44.312 45.100 0.012 0.000 1.039 290 G HN 1.043 nan 8.290 nan 0.000 0.576 291 A N -1.312 121.558 122.820 0.084 0.000 2.332 291 A HA 0.690 5.010 4.320 -0.000 0.000 0.258 291 A C 0.818 178.453 177.584 0.085 0.000 1.087 291 A CA 0.427 52.530 52.037 0.110 0.000 0.802 291 A CB 0.393 19.439 19.000 0.076 0.000 1.042 291 A HN 1.213 nan 8.150 nan 0.000 0.489 292 G N -0.948 107.916 108.800 0.106 0.000 2.641 292 G HA2 0.391 4.350 3.960 -0.000 0.000 0.239 292 G HA3 0.391 4.350 3.960 -0.000 0.000 0.239 292 G C -0.023 174.834 174.900 -0.072 0.000 1.402 292 G CA -0.065 45.022 45.100 -0.022 0.000 1.046 292 G HN 0.591 nan 8.290 nan 0.000 0.565 293 D N -0.541 119.750 120.400 -0.181 0.000 2.340 293 D HA 0.111 4.751 4.640 -0.000 0.000 0.220 293 D C 1.070 177.315 176.300 -0.091 0.000 1.039 293 D CA 0.537 54.463 54.000 -0.123 0.000 0.866 293 D CB 0.345 41.060 40.800 -0.141 0.000 0.913 293 D HN 0.286 nan 8.370 nan 0.000 0.523 294 S N -1.213 114.435 115.700 -0.086 0.000 2.671 294 S HA 0.673 5.143 4.470 -0.000 0.000 0.299 294 S C 0.978 175.640 174.600 0.104 0.000 1.116 294 S CA -0.472 57.734 58.200 0.011 0.000 0.912 294 S CB 2.209 65.422 63.200 0.022 0.000 1.130 294 S HN -0.082 nan 8.310 nan 0.000 0.501 295 A N 1.267 124.148 122.820 0.101 0.000 1.873 295 A HA -0.072 4.248 4.320 -0.000 0.000 0.215 295 A C 1.796 179.462 177.584 0.136 0.000 1.186 295 A CA 1.614 53.711 52.037 0.100 0.000 0.616 295 A CB -1.185 17.855 19.000 0.066 0.000 0.823 295 A HN 0.978 nan 8.150 nan 0.000 0.442 296 D N -1.145 119.354 120.400 0.165 0.000 2.384 296 D HA -0.131 4.508 4.640 -0.000 0.000 0.222 296 D C -0.104 176.252 176.300 0.093 0.000 0.976 296 D CA 0.405 54.479 54.000 0.123 0.000 0.915 296 D CB -0.371 40.490 40.800 0.101 0.000 0.896 296 D HN 0.335 nan 8.370 nan 0.000 0.523 297 F N 1.636 121.597 119.950 0.017 0.000 2.560 297 F HA 0.302 4.829 4.527 -0.000 0.000 0.338 297 F C 0.758 176.590 175.800 0.054 0.000 1.201 297 F CA -0.769 57.240 58.000 0.015 0.000 1.291 297 F CB 0.158 39.153 39.000 -0.008 0.000 1.627 297 F HN -0.411 nan 8.300 nan 0.000 0.588 298 K N 2.056 122.547 120.400 0.151 0.000 2.355 298 K HA 0.153 4.473 4.320 -0.000 0.000 0.270 298 K C -2.223 174.515 176.600 0.231 0.000 1.003 298 K CA -1.458 54.917 56.287 0.147 0.000 0.957 298 K CB 0.286 32.838 32.500 0.086 0.000 0.939 298 K HN 0.107 nan 8.250 nan 0.000 0.482 299 P HA -0.110 nan 4.420 nan 0.000 0.269 299 P C -0.057 177.279 177.300 0.060 0.000 1.217 299 P CA 0.054 63.242 63.100 0.145 0.000 0.783 299 P CB 0.294 32.025 31.700 0.051 0.000 0.898 300 Y N 2.089 122.154 120.300 -0.391 0.000 2.165 300 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 300 Y C 1.648 177.421 175.900 -0.210 0.000 1.155 300 Y CA 1.751 59.507 58.100 -0.573 0.000 1.164 300 Y CB -0.945 37.002 38.460 -0.856 0.000 0.978 300 Y HN 0.180 nan 8.280 nan 0.000 0.513 301 L N 0.066 121.158 121.223 -0.219 0.000 2.549 301 L HA -0.121 4.219 4.340 -0.000 0.000 0.229 301 L C 1.457 178.225 176.870 -0.170 0.000 1.158 301 L CA 1.143 55.849 54.840 -0.223 0.000 0.842 301 L CB -0.378 41.627 42.059 -0.090 0.000 0.952 301 L HN 0.283 nan 8.230 nan 0.000 0.452 302 E N -0.667 119.459 120.200 -0.124 0.000 2.501 302 E HA 0.079 4.429 4.350 -0.000 0.000 0.201 302 E C 0.061 176.618 176.600 -0.071 0.000 1.016 302 E CA -0.196 56.163 56.400 -0.069 0.000 0.920 302 E CB 0.614 30.304 29.700 -0.016 0.000 1.023 302 E HN 0.356 nan 8.360 nan 0.000 0.474 303 E N 1.226 121.347 120.200 -0.132 0.000 2.349 303 E HA 0.124 4.474 4.350 -0.000 0.000 0.265 303 E C 0.162 176.702 176.600 -0.099 0.000 1.064 303 E CA -0.393 55.952 56.400 -0.093 0.000 0.886 303 E CB 1.600 31.240 29.700 -0.101 0.000 1.036 303 E HN 0.164 nan 8.360 nan 0.000 0.413 304 L N 2.144 123.339 121.223 -0.046 0.000 2.490 304 L HA -0.025 4.315 4.340 -0.000 0.000 0.274 304 L C -0.112 176.739 176.870 -0.032 0.000 1.201 304 L CA 0.296 55.118 54.840 -0.031 0.000 0.869 304 L CB 0.215 42.270 42.059 -0.006 0.000 1.123 304 L HN 0.450 nan 8.230 nan 0.000 0.484 305 D N 1.604 121.987 120.400 -0.027 0.000 3.077 305 D HA -0.163 4.477 4.640 -0.000 0.000 0.212 305 D C -0.366 175.912 176.300 -0.037 0.000 1.125 305 D CA 0.971 54.964 54.000 -0.011 0.000 0.970 305 D CB -1.332 39.483 40.800 0.026 0.000 1.110 305 D HN 0.309 nan 8.370 nan 0.000 0.419 306 V N 2.163 122.010 119.914 -0.112 0.000 2.394 306 V HA 0.359 4.479 4.120 -0.000 0.000 0.282 306 V C -1.637 174.368 176.094 -0.150 0.000 1.031 306 V CA -1.170 61.006 62.300 -0.207 0.000 0.881 306 V CB 1.700 33.212 31.823 -0.518 0.000 0.982 306 V HN -0.074 nan 8.190 nan 0.000 0.451 307 P HA 0.207 nan 4.420 nan 0.000 0.276 307 P C 0.542 177.802 177.300 -0.066 0.000 1.230 307 P CA -0.218 62.850 63.100 -0.054 0.000 0.776 307 P CB 1.580 33.270 31.700 -0.016 0.000 0.888 308 A N 3.881 126.670 122.820 -0.053 0.000 1.986 308 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 308 A C 1.490 179.060 177.584 -0.024 0.000 1.171 308 A CA 2.220 54.230 52.037 -0.045 0.000 0.640 308 A CB -1.358 17.624 19.000 -0.031 0.000 0.811 308 A HN 0.691 nan 8.150 nan 0.000 0.451 309 D N -1.087 119.307 120.400 -0.011 0.000 2.349 309 D HA 0.143 4.783 4.640 -0.000 0.000 0.224 309 D C 0.830 177.140 176.300 0.015 0.000 1.029 309 D CA 0.546 54.548 54.000 0.003 0.000 0.879 309 D CB -0.240 40.563 40.800 0.005 0.000 0.906 309 D HN 0.203 nan 8.370 nan 0.000 0.528 310 S N 0.293 116.006 115.700 0.021 0.000 2.558 310 S HA 0.023 4.493 4.470 -0.000 0.000 0.288 310 S C 0.471 175.115 174.600 0.074 0.000 1.318 310 S CA -0.190 58.047 58.200 0.062 0.000 1.056 310 S CB 0.392 63.655 63.200 0.105 0.000 0.853 310 S HN 0.285 nan 8.310 nan 0.000 0.505 311 K N 3.160 123.598 120.400 0.063 0.000 2.972 311 K HA 0.171 4.491 4.320 -0.000 0.000 0.209 311 K C -0.094 176.507 176.600 0.002 0.000 1.128 311 K CA -0.279 56.024 56.287 0.027 0.000 1.024 311 K CB 0.152 32.656 32.500 0.006 0.000 0.754 311 K HN 0.605 nan 8.250 nan 0.000 0.454 312 N N 2.145 120.871 118.700 0.043 0.000 2.503 312 N HA 0.048 4.787 4.740 -0.000 0.000 0.267 312 N C -0.900 174.530 175.510 -0.134 0.000 1.214 312 N CA -0.291 52.743 53.050 -0.027 0.000 0.959 312 N CB 0.684 39.202 38.487 0.051 0.000 1.142 312 N HN 0.227 nan 8.380 nan 0.000 0.455 313 N N -0.097 118.514 118.700 -0.148 0.000 2.426 313 N HA 0.109 4.848 4.740 -0.000 0.000 0.257 313 N C 0.325 175.798 175.510 -0.062 0.000 1.002 313 N CA -0.652 52.342 53.050 -0.093 0.000 0.942 313 N CB 1.533 39.988 38.487 -0.052 0.000 1.112 313 N HN 0.441 nan 8.380 nan 0.000 0.499 314 T N -1.620 112.956 114.554 0.036 0.000 3.086 314 T HA 0.188 4.538 4.350 -0.000 0.000 0.250 314 T C -0.271 174.699 174.700 0.450 0.000 1.074 314 T CA -0.118 62.130 62.100 0.248 0.000 0.988 314 T CB -0.613 68.385 68.868 0.216 0.000 0.988 314 T HN 0.508 nan 8.240 nan 0.000 0.530 315 F N 0.697 120.764 119.950 0.195 0.000 2.628 315 F HA 0.658 5.185 4.527 -0.000 0.000 0.309 315 F C -2.255 173.595 175.800 0.083 0.000 1.108 315 F CA -1.756 56.312 58.000 0.113 0.000 0.971 315 F CB 1.553 40.538 39.000 -0.024 0.000 1.279 315 F HN -0.118 nan 8.300 nan 0.000 0.441 316 I N 4.486 124.679 120.570 -0.628 0.000 2.607 316 I HA 0.700 4.869 4.170 -0.000 0.000 0.290 316 I C -1.150 174.670 176.117 -0.496 0.000 1.129 316 I CA -0.608 60.537 61.300 -0.258 0.000 1.042 316 I CB 1.475 39.496 38.000 0.035 0.000 1.242 316 I HN 0.806 nan 8.210 nan 0.000 0.421 317 A N 4.069 126.831 122.820 -0.097 0.000 2.455 317 A HA 0.979 5.299 4.320 -0.000 0.000 0.300 317 A C -0.473 177.075 177.584 -0.060 0.000 1.040 317 A CA -0.340 51.693 52.037 -0.007 0.000 0.697 317 A CB 2.097 21.236 19.000 0.231 0.000 1.265 317 A HN 0.916 nan 8.150 nan 0.000 0.407 318 G N 0.096 108.708 108.800 -0.314 0.000 2.660 318 G HA2 0.550 4.509 3.960 -0.000 0.000 0.290 318 G HA3 0.550 4.509 3.960 -0.000 0.000 0.290 318 G C -1.595 173.014 174.900 -0.485 0.000 1.432 318 G CA -0.453 43.952 45.100 -1.158 0.000 0.807 318 G HN 0.797 nan 8.290 nan 0.000 0.485 319 E N 0.008 120.007 120.200 -0.335 0.000 2.156 319 E HA 0.534 4.884 4.350 -0.000 0.000 0.279 319 E C -1.023 175.619 176.600 0.069 0.000 0.965 319 E CA -0.636 55.710 56.400 -0.091 0.000 0.789 319 E CB 1.191 30.860 29.700 -0.052 0.000 1.098 319 E HN 0.172 nan 8.360 nan 0.000 0.397 320 L N 3.599 124.825 121.223 0.005 0.000 2.322 320 L HA 0.343 4.683 4.340 -0.000 0.000 0.279 320 L C -0.261 176.534 176.870 -0.124 0.000 1.036 320 L CA -0.213 54.590 54.840 -0.062 0.000 0.807 320 L CB 1.720 43.647 42.059 -0.221 0.000 1.226 320 L HN 0.567 nan 8.230 nan 0.000 0.433 321 Q N 2.603 122.246 119.800 -0.262 0.000 2.340 321 Q HA 0.532 4.872 4.340 -0.000 0.000 0.268 321 Q C -1.612 174.162 176.000 -0.378 0.000 1.031 321 Q CA -0.433 55.270 55.803 -0.168 0.000 0.804 321 Q CB 2.398 31.080 28.738 -0.093 0.000 1.286 321 Q HN 0.330 nan 8.270 nan 0.000 0.448 322 F N 1.122 121.010 119.950 -0.103 0.000 2.403 322 F HA 0.144 4.671 4.527 -0.000 0.000 0.355 322 F C 0.296 176.125 175.800 0.049 0.000 1.119 322 F CA -0.897 57.050 58.000 -0.089 0.000 1.007 322 F CB 1.307 40.209 39.000 -0.163 0.000 1.194 322 F HN 0.528 nan 8.300 nan 0.000 0.443 323 D N 4.758 125.240 120.400 0.136 0.000 2.767 323 D HA 0.227 4.867 4.640 -0.000 0.000 0.231 323 D C -0.723 175.661 176.300 0.141 0.000 1.105 323 D CA 0.523 54.593 54.000 0.117 0.000 1.024 323 D CB -0.221 40.612 40.800 0.056 0.000 1.123 323 D HN 0.369 nan 8.370 nan 0.000 0.470 324 L N 1.519 122.863 121.223 0.203 0.000 2.381 324 L HA 0.385 4.725 4.340 -0.000 0.000 0.268 324 L C -1.457 175.468 176.870 0.092 0.000 0.997 324 L CA -2.375 52.556 54.840 0.152 0.000 0.818 324 L CB 2.242 44.430 42.059 0.216 0.000 1.310 324 L HN 0.011 nan 8.230 nan 0.000 0.416 325 P HA -0.198 nan 4.420 nan 0.000 0.216 325 P C 1.368 178.625 177.300 -0.071 0.000 1.157 325 P CA 1.258 64.354 63.100 -0.007 0.000 0.880 325 P CB 0.066 31.755 31.700 -0.019 0.000 0.791 326 R N -1.291 119.094 120.500 -0.191 0.000 2.127 326 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 326 R C 0.866 176.794 176.300 -0.620 0.000 1.134 326 R CA 1.582 57.395 56.100 -0.478 0.000 0.975 326 R CB -0.500 29.367 30.300 -0.722 0.000 0.865 326 R HN 0.290 nan 8.270 nan 0.000 0.447 327 W N 0.747 122.103 121.300 0.094 0.000 2.818 327 W HA 0.286 4.946 4.660 -0.000 0.000 0.403 327 W C -0.449 176.143 176.519 0.121 0.000 0.991 327 W CA -0.905 56.522 57.345 0.137 0.000 1.925 327 W CB 0.435 30.020 29.460 0.209 0.000 1.166 327 W HN 0.036 nan 8.180 nan 0.000 0.605 328 E N 1.144 121.464 120.200 0.201 0.000 2.614 328 E HA 0.162 4.512 4.350 -0.000 0.000 0.245 328 E C 1.405 178.087 176.600 0.136 0.000 1.039 328 E CA 1.170 57.658 56.400 0.146 0.000 0.948 328 E CB -0.032 29.715 29.700 0.078 0.000 0.937 328 E HN 0.435 nan 8.360 nan 0.000 0.498 329 G N 2.976 111.858 108.800 0.135 0.000 2.148 329 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.254 329 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.254 329 G C 0.107 175.061 174.900 0.090 0.000 0.981 329 G CA 0.172 45.327 45.100 0.093 0.000 0.670 329 G HN 0.491 nan 8.290 nan 0.000 0.528 330 V N 2.000 122.014 119.914 0.166 0.000 2.334 330 V HA 0.401 4.521 4.120 -0.000 0.000 0.267 330 V C -1.665 174.439 176.094 0.017 0.000 1.040 330 V CA -1.556 60.806 62.300 0.103 0.000 0.866 330 V CB 1.470 33.455 31.823 0.269 0.000 1.019 330 V HN 0.104 nan 8.190 nan 0.000 0.468 331 P HA 0.256 nan 4.420 nan 0.000 0.271 331 P C -0.874 176.058 177.300 -0.613 0.000 1.216 331 P CA -0.024 62.824 63.100 -0.420 0.000 0.771 331 P CB 0.273 31.561 31.700 -0.686 0.000 0.864 332 F N 2.911 122.532 119.950 -0.549 0.000 2.366 332 F HA 0.338 4.865 4.527 -0.000 0.000 0.366 332 F C -0.097 175.478 175.800 -0.374 0.000 1.096 332 F CA -0.384 57.385 58.000 -0.385 0.000 1.060 332 F CB 0.460 39.342 39.000 -0.196 0.000 1.282 332 F HN 0.247 nan 8.300 nan 0.000 0.450 333 Y N 2.619 122.917 120.300 -0.003 0.000 2.313 333 Y HA 0.561 5.111 4.550 -0.000 0.000 0.332 333 Y C 0.183 176.224 175.900 0.236 0.000 1.071 333 Y CA -1.198 56.909 58.100 0.012 0.000 1.169 333 Y CB 1.184 39.430 38.460 -0.357 0.000 1.192 333 Y HN 0.337 nan 8.280 nan 0.000 0.487 334 V N 1.936 122.108 119.914 0.429 0.000 2.789 334 V HA 0.927 5.047 4.120 -0.000 0.000 0.311 334 V C -0.949 175.281 176.094 0.226 0.000 1.073 334 V CA -1.209 61.277 62.300 0.310 0.000 0.921 334 V CB 2.170 34.112 31.823 0.198 0.000 1.009 334 V HN 0.892 nan 8.190 nan 0.000 0.426 335 R N 1.734 122.241 120.500 0.012 0.000 2.604 335 R HA 0.879 5.219 4.340 -0.000 0.000 0.270 335 R C -1.409 174.709 176.300 -0.302 0.000 1.052 335 R CA -0.582 55.350 56.100 -0.280 0.000 0.902 335 R CB 2.089 32.071 30.300 -0.530 0.000 1.233 335 R HN 0.716 nan 8.270 nan 0.000 0.455 336 S N 0.093 115.528 115.700 -0.442 0.000 2.543 336 S HA 0.863 5.333 4.470 -0.000 0.000 0.271 336 S C -1.070 173.352 174.600 -0.296 0.000 1.148 336 S CA -0.417 57.626 58.200 -0.262 0.000 0.914 336 S CB 2.076 65.193 63.200 -0.139 0.000 1.096 336 S HN 1.032 nan 8.310 nan 0.000 0.471 337 G N 1.708 110.487 108.800 -0.035 0.000 2.559 337 G HA2 0.617 4.577 3.960 -0.000 0.000 0.291 337 G HA3 0.617 4.577 3.960 -0.000 0.000 0.291 337 G C -2.172 172.869 174.900 0.235 0.000 1.424 337 G CA -0.786 44.433 45.100 0.198 0.000 0.786 337 G HN 0.481 nan 8.290 nan 0.000 0.485 338 K N 0.255 120.851 120.400 0.326 0.000 2.267 338 K HA 0.582 4.902 4.320 -0.000 0.000 0.246 338 K C -0.069 176.617 176.600 0.144 0.000 0.954 338 K CA -0.981 55.421 56.287 0.192 0.000 0.824 338 K CB 1.625 34.229 32.500 0.173 0.000 1.167 338 K HN 0.456 nan 8.250 nan 0.000 0.431 339 R N 0.450 120.922 120.500 -0.047 0.000 3.531 339 R HA -0.168 4.172 4.340 -0.000 0.000 0.280 339 R C -0.512 175.866 176.300 0.129 0.000 1.130 339 R CA 0.506 56.546 56.100 -0.100 0.000 0.757 339 R CB -2.369 27.593 30.300 -0.563 0.000 1.218 339 R HN 0.576 nan 8.270 nan 0.000 0.454 340 L N -1.338 119.972 121.223 0.145 0.000 2.365 340 L HA 0.474 4.813 4.340 -0.000 0.000 0.267 340 L C 2.040 178.983 176.870 0.122 0.000 1.033 340 L CA -0.003 54.922 54.840 0.141 0.000 0.802 340 L CB 0.691 42.833 42.059 0.137 0.000 1.267 340 L HN 0.102 nan 8.230 nan 0.000 0.457 341 A N 1.423 124.306 122.820 0.105 0.000 1.944 341 A HA -0.066 4.254 4.320 -0.000 0.000 0.222 341 A C 0.872 178.538 177.584 0.136 0.000 1.237 341 A CA 2.464 54.561 52.037 0.100 0.000 0.668 341 A CB -0.480 18.562 19.000 0.069 0.000 0.830 341 A HN 0.918 nan 8.150 nan 0.000 0.471 342 A N -2.937 119.990 122.820 0.179 0.000 2.597 342 A HA 0.558 4.878 4.320 -0.000 0.000 0.292 342 A C -0.738 176.907 177.584 0.103 0.000 1.057 342 A CA -0.228 51.901 52.037 0.152 0.000 0.674 342 A CB 0.472 19.590 19.000 0.197 0.000 1.278 342 A HN 0.312 nan 8.150 nan 0.000 0.416 343 K N 0.844 121.283 120.400 0.065 0.000 2.402 343 K HA 0.480 4.800 4.320 -0.000 0.000 0.285 343 K C -0.408 176.178 176.600 -0.024 0.000 1.054 343 K CA 0.902 57.207 56.287 0.031 0.000 1.001 343 K CB 0.137 32.659 32.500 0.038 0.000 0.946 343 K HN 0.736 nan 8.250 nan 0.000 0.473 344 Q N 2.163 121.912 119.800 -0.085 0.000 2.352 344 Q HA 0.431 4.770 4.340 -0.000 0.000 0.270 344 Q C -1.668 174.232 176.000 -0.166 0.000 1.006 344 Q CA -0.403 55.272 55.803 -0.214 0.000 0.880 344 Q CB 1.975 30.361 28.738 -0.586 0.000 1.392 344 Q HN 0.600 nan 8.270 nan 0.000 0.401 345 T N 4.195 118.681 114.554 -0.113 0.000 2.906 345 T HA 0.766 5.116 4.350 -0.000 0.000 0.302 345 T C -1.269 173.395 174.700 -0.059 0.000 1.002 345 T CA -0.770 61.304 62.100 -0.043 0.000 0.988 345 T CB 0.486 69.420 68.868 0.109 0.000 0.972 345 T HN 0.691 nan 8.240 nan 0.000 0.447 346 R N 0.493 120.949 120.500 -0.074 0.000 2.734 346 R HA 0.852 5.192 4.340 -0.000 0.000 0.271 346 R C -2.075 174.230 176.300 0.007 0.000 1.021 346 R CA -1.040 55.035 56.100 -0.041 0.000 0.893 346 R CB 1.205 31.450 30.300 -0.092 0.000 1.244 346 R HN 0.267 nan 8.270 nan 0.000 0.464 347 V N 1.274 121.203 119.914 0.025 0.000 2.531 347 V HA 0.363 4.482 4.120 -0.000 0.000 0.301 347 V C -1.116 174.988 176.094 0.016 0.000 1.034 347 V CA -0.720 61.602 62.300 0.036 0.000 0.865 347 V CB 1.914 33.762 31.823 0.042 0.000 0.995 347 V HN 0.736 nan 8.190 nan 0.000 0.424 348 D N 4.933 125.340 120.400 0.011 0.000 2.440 348 D HA 0.458 5.097 4.640 -0.000 0.000 0.239 348 D C -0.706 175.500 176.300 -0.158 0.000 1.084 348 D CA -0.236 53.746 54.000 -0.031 0.000 0.843 348 D CB 2.538 43.364 40.800 0.042 0.000 1.097 348 D HN 0.266 nan 8.370 nan 0.000 0.531 349 I N 2.343 122.743 120.570 -0.283 0.000 2.297 349 I HA 0.068 4.238 4.170 -0.000 0.000 0.291 349 I C 0.098 175.825 176.117 -0.650 0.000 1.033 349 I CA -0.555 60.404 61.300 -0.569 0.000 1.253 349 I CB 1.357 38.856 38.000 -0.834 0.000 1.396 349 I HN 0.041 nan 8.210 nan 0.000 0.476 350 V N 7.565 127.167 119.914 -0.521 0.000 2.364 350 V HA 0.327 4.446 4.120 -0.000 0.000 0.272 350 V C 0.034 175.894 176.094 -0.390 0.000 1.036 350 V CA -0.532 61.560 62.300 -0.346 0.000 0.880 350 V CB 0.087 31.805 31.823 -0.175 0.000 0.991 350 V HN 0.319 nan 8.190 nan 0.000 0.460 351 F N 2.941 122.864 119.950 -0.044 0.000 2.375 351 F HA 0.418 4.945 4.527 -0.000 0.000 0.333 351 F C 0.984 176.788 175.800 0.006 0.000 1.104 351 F CA -0.730 57.266 58.000 -0.007 0.000 1.149 351 F CB 0.690 39.716 39.000 0.043 0.000 1.190 351 F HN 0.314 nan 8.300 nan 0.000 0.533 352 K N 1.699 122.223 120.400 0.207 0.000 2.448 352 K HA 0.360 4.680 4.320 -0.000 0.000 0.278 352 K C -0.026 176.640 176.600 0.111 0.000 1.009 352 K CA -0.389 55.962 56.287 0.106 0.000 0.995 352 K CB 0.490 33.026 32.500 0.059 0.000 0.917 352 K HN 0.730 nan 8.250 nan 0.000 0.481 353 A N 2.637 125.506 122.820 0.082 0.000 2.477 353 A HA 0.259 4.579 4.320 -0.000 0.000 0.246 353 A C 0.654 178.280 177.584 0.071 0.000 1.078 353 A CA 0.016 52.104 52.037 0.085 0.000 0.770 353 A CB 0.168 19.212 19.000 0.073 0.000 1.011 353 A HN 0.807 nan 8.150 nan 0.000 0.494 354 G N 0.692 109.545 108.800 0.089 0.000 2.554 354 G HA2 0.360 4.320 3.960 -0.000 0.000 0.238 354 G HA3 0.360 4.320 3.960 -0.000 0.000 0.238 354 G C 0.871 175.814 174.900 0.071 0.000 1.259 354 G CA 0.425 45.570 45.100 0.076 0.000 0.843 354 G HN 1.204 nan 8.290 nan 0.000 0.582 355 T N -0.954 113.627 114.554 0.045 0.000 3.122 355 T HA 0.165 4.515 4.350 -0.000 0.000 0.250 355 T C 0.358 175.055 174.700 -0.005 0.000 1.067 355 T CA -0.374 61.736 62.100 0.016 0.000 0.966 355 T CB -0.172 68.693 68.868 -0.005 0.000 1.002 355 T HN 0.255 nan 8.240 nan 0.000 0.542 356 F N 3.476 123.334 119.950 -0.153 0.000 2.438 356 F HA 0.430 4.957 4.527 0.000 0.000 0.360 356 F C -0.267 175.273 175.800 -0.434 0.000 1.118 356 F CA -1.452 56.375 58.000 -0.288 0.000 1.164 356 F CB 0.020 38.805 39.000 -0.358 0.000 1.131 356 F HN -0.010 nan 8.300 nan 0.000 0.527 357 N N 6.329 124.543 118.700 -0.810 0.000 2.422 357 N HA 0.178 4.918 4.740 -0.000 0.000 0.264 357 N C -0.180 174.921 175.510 -0.683 0.000 1.063 357 N CA -0.285 52.438 53.050 -0.546 0.000 0.959 357 N CB 0.529 38.831 38.487 -0.308 0.000 1.087 357 N HN 0.525 nan 8.380 nan 0.000 0.483 358 F N 0.545 120.441 119.950 -0.089 0.000 2.776 358 F HA 0.271 4.797 4.527 -0.001 0.000 0.300 358 F C 1.940 177.748 175.800 0.013 0.000 1.116 358 F CA -0.117 57.899 58.000 0.026 0.000 1.375 358 F CB 0.119 39.299 39.000 0.300 0.000 1.109 358 F HN 0.669 nan 8.300 nan 0.000 0.585 359 G N 0.395 109.287 108.800 0.153 0.000 2.179 359 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 359 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 359 G C 0.417 175.410 174.900 0.155 0.000 0.977 359 G CA 0.293 45.453 45.100 0.100 0.000 0.641 359 G HN 0.462 nan 8.290 nan 0.000 0.533 360 S N 0.001 115.849 115.700 0.248 0.000 2.600 360 S HA 0.483 4.953 4.470 -0.000 0.000 0.265 360 S C 1.396 176.063 174.600 0.111 0.000 1.325 360 S CA 0.394 58.711 58.200 0.195 0.000 1.002 360 S CB 1.388 64.704 63.200 0.195 0.000 0.921 360 S HN 0.775 nan 8.310 nan 0.000 0.554 361 E N -0.116 120.123 120.200 0.065 0.000 2.106 361 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 361 E C 0.702 177.324 176.600 0.037 0.000 0.984 361 E CA 0.838 57.262 56.400 0.040 0.000 0.806 361 E CB -0.076 29.636 29.700 0.020 0.000 0.750 361 E HN 0.583 nan 8.360 nan 0.000 0.458 362 Q N 1.801 121.619 119.800 0.029 0.000 2.431 362 Q HA 0.123 4.463 4.340 -0.000 0.000 0.249 362 Q C -1.009 175.028 176.000 0.062 0.000 1.025 362 Q CA -0.468 55.350 55.803 0.025 0.000 0.835 362 Q CB 0.959 29.689 28.738 -0.012 0.000 1.207 362 Q HN 0.067 nan 8.270 nan 0.000 0.490 363 E N 1.499 121.762 120.200 0.105 0.000 2.405 363 E HA 0.412 4.762 4.350 -0.000 0.000 0.253 363 E C -0.318 176.392 176.600 0.184 0.000 1.257 363 E CA -0.105 56.413 56.400 0.196 0.000 0.960 363 E CB 0.413 30.211 29.700 0.163 0.000 1.077 363 E HN 0.778 nan 8.360 nan 0.000 0.512 364 A N 0.863 123.862 122.820 0.297 0.000 2.555 364 A HA 0.008 4.328 4.320 -0.000 0.000 0.233 364 A C 0.249 177.917 177.584 0.140 0.000 1.060 364 A CA 0.568 52.753 52.037 0.246 0.000 0.759 364 A CB 0.129 19.334 19.000 0.342 0.000 0.995 364 A HN 0.462 nan 8.150 nan 0.000 0.506 365 Q N -0.102 119.763 119.800 0.108 0.000 2.814 365 Q HA 0.389 4.729 4.340 -0.000 0.000 0.283 365 Q C -0.931 175.124 176.000 0.091 0.000 1.071 365 Q CA -0.839 55.012 55.803 0.080 0.000 0.849 365 Q CB 1.211 29.982 28.738 0.056 0.000 1.437 365 Q HN 0.811 nan 8.270 nan 0.000 0.492 366 E N 0.560 120.809 120.200 0.081 0.000 2.290 366 E HA 0.362 4.712 4.350 -0.000 0.000 0.277 366 E C -0.983 175.696 176.600 0.131 0.000 1.035 366 E CA -0.403 56.059 56.400 0.105 0.000 0.873 366 E CB 1.010 30.753 29.700 0.071 0.000 1.029 366 E HN 0.463 nan 8.360 nan 0.000 0.419 367 A N 3.031 125.972 122.820 0.202 0.000 2.322 367 A HA 0.421 4.741 4.320 -0.000 0.000 0.269 367 A C -0.358 177.423 177.584 0.329 0.000 1.094 367 A CA -0.506 51.674 52.037 0.239 0.000 0.807 367 A CB 0.744 19.870 19.000 0.210 0.000 1.047 367 A HN 0.411 nan 8.150 nan 0.000 0.487 368 V N 2.803 122.866 119.914 0.248 0.000 2.525 368 V HA 0.353 4.473 4.120 -0.000 0.000 0.299 368 V C -0.835 175.362 176.094 0.172 0.000 1.034 368 V CA -0.486 61.911 62.300 0.161 0.000 0.863 368 V CB 1.321 33.191 31.823 0.079 0.000 0.999 368 V HN 0.818 nan 8.190 nan 0.000 0.423 369 L N 4.909 126.206 121.223 0.123 0.000 2.264 369 L HA 0.744 5.084 4.340 -0.000 0.000 0.289 369 L C 0.028 176.891 176.870 -0.011 0.000 1.044 369 L CA 0.640 55.524 54.840 0.073 0.000 0.807 369 L CB 1.481 43.547 42.059 0.011 0.000 1.192 369 L HN 0.667 nan 8.230 nan 0.000 0.425 370 S N 6.252 121.970 115.700 0.030 0.000 2.502 370 S HA 0.659 5.129 4.470 -0.000 0.000 0.304 370 S C -0.452 174.174 174.600 0.043 0.000 1.097 370 S CA -0.405 57.817 58.200 0.036 0.000 1.045 370 S CB 1.197 64.440 63.200 0.071 0.000 1.019 370 S HN 0.520 nan 8.310 nan 0.000 0.481 371 I N 3.811 124.400 120.570 0.031 0.000 2.354 371 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 371 I C -0.840 175.301 176.117 0.039 0.000 1.007 371 I CA -0.622 60.701 61.300 0.038 0.000 1.167 371 I CB 0.973 38.982 38.000 0.015 0.000 1.320 371 I HN 0.392 nan 8.210 nan 0.000 0.458 372 I N 7.286 127.890 120.570 0.058 0.000 2.297 372 I HA 0.243 4.412 4.170 -0.000 0.000 0.291 372 I C 0.964 177.104 176.117 0.038 0.000 1.033 372 I CA 0.076 61.394 61.300 0.031 0.000 1.253 372 I CB 1.094 39.116 38.000 0.036 0.000 1.396 372 I HN 0.642 nan 8.210 nan 0.000 0.476 373 I N 3.509 124.093 120.570 0.023 0.000 2.628 373 I HA 0.045 4.215 4.170 -0.000 0.000 0.255 373 I C 0.149 176.281 176.117 0.025 0.000 1.119 373 I CA 0.918 62.240 61.300 0.036 0.000 1.448 373 I CB 0.191 38.228 38.000 0.062 0.000 1.133 373 I HN 0.445 nan 8.210 nan 0.000 0.438 374 D N -0.214 120.195 120.400 0.015 0.000 2.738 374 D HA 0.257 4.897 4.640 -0.000 0.000 0.237 374 D C -2.002 174.288 176.300 -0.017 0.000 1.123 374 D CA -1.342 52.662 54.000 0.007 0.000 0.856 374 D CB 2.509 43.331 40.800 0.036 0.000 1.552 374 D HN -0.227 nan 8.370 nan 0.000 0.480 375 P HA 0.064 nan 4.420 nan 0.000 0.215 375 P C -0.194 177.100 177.300 -0.009 0.000 1.157 375 P CA 0.693 63.790 63.100 -0.004 0.000 0.869 375 P CB 0.718 32.418 31.700 0.001 0.000 0.781 376 K N 0.756 121.146 120.400 -0.015 0.000 2.248 376 K HA 0.415 4.735 4.320 -0.000 0.000 0.281 376 K C 0.529 177.116 176.600 -0.022 0.000 1.054 376 K CA -0.519 55.749 56.287 -0.031 0.000 0.903 376 K CB 0.773 33.243 32.500 -0.049 0.000 1.077 376 K HN -0.009 nan 8.250 nan 0.000 0.474 377 G N 1.739 110.531 108.800 -0.013 0.000 2.313 377 G HA2 0.364 4.324 3.960 -0.000 0.000 0.250 377 G HA3 0.364 4.324 3.960 -0.000 0.000 0.250 377 G C -0.583 174.341 174.900 0.040 0.000 1.281 377 G CA -0.191 44.938 45.100 0.047 0.000 0.917 377 G HN 0.627 nan 8.290 nan 0.000 0.501 378 A N 2.164 125.069 122.820 0.141 0.000 2.606 378 A HA 0.796 5.115 4.320 -0.000 0.000 0.293 378 A C -0.899 176.869 177.584 0.307 0.000 1.082 378 A CA -0.678 51.479 52.037 0.200 0.000 0.685 378 A CB 1.374 20.417 19.000 0.071 0.000 1.284 378 A HN 0.736 nan 8.150 nan 0.000 0.408 379 I N 1.083 121.900 120.570 0.411 0.000 2.512 379 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 379 I C -0.715 175.533 176.117 0.219 0.000 1.069 379 I CA -0.161 61.292 61.300 0.255 0.000 1.056 379 I CB 2.172 40.273 38.000 0.169 0.000 1.229 379 I HN 0.751 nan 8.210 nan 0.000 0.429 380 E N 5.502 125.791 120.200 0.148 0.000 2.277 380 E HA 0.699 5.049 4.350 -0.000 0.000 0.266 380 E C -1.455 175.219 176.600 0.123 0.000 0.901 380 E CA -0.998 55.483 56.400 0.135 0.000 0.782 380 E CB 3.293 33.065 29.700 0.119 0.000 1.228 380 E HN 0.265 nan 8.360 nan 0.000 0.424 381 L N 2.078 123.379 121.223 0.129 0.000 2.504 381 L HA 0.301 4.641 4.340 -0.000 0.000 0.265 381 L C -1.297 175.647 176.870 0.123 0.000 0.975 381 L CA -0.393 54.534 54.840 0.145 0.000 0.864 381 L CB 1.337 43.504 42.059 0.181 0.000 1.212 381 L HN 0.372 nan 8.230 nan 0.000 0.416 382 K N 5.311 125.784 120.400 0.121 0.000 2.316 382 K HA 0.539 4.859 4.320 -0.000 0.000 0.289 382 K C -1.210 175.450 176.600 0.099 0.000 1.070 382 K CA -0.266 56.079 56.287 0.097 0.000 0.928 382 K CB 0.434 32.988 32.500 0.090 0.000 1.039 382 K HN 0.716 nan 8.250 nan 0.000 0.480 383 L N 3.090 124.356 121.223 0.071 0.000 2.303 383 L HA 0.392 4.731 4.340 -0.000 0.000 0.266 383 L C 0.090 176.983 176.870 0.038 0.000 1.011 383 L CA -1.250 53.623 54.840 0.056 0.000 0.818 383 L CB 1.787 43.871 42.059 0.041 0.000 1.326 383 L HN 0.635 nan 8.230 nan 0.000 0.435 384 N N 0.727 119.449 118.700 0.037 0.000 2.479 384 N HA 0.652 5.392 4.740 -0.000 0.000 0.285 384 N C -0.698 174.806 175.510 -0.010 0.000 1.075 384 N CA -0.007 53.055 53.050 0.020 0.000 0.967 384 N CB 2.086 40.609 38.487 0.061 0.000 1.137 384 N HN 0.696 nan 8.380 nan 0.000 0.472 385 A N 1.583 124.367 122.820 -0.060 0.000 2.534 385 A HA 0.439 4.759 4.320 -0.000 0.000 0.300 385 A C -0.970 176.502 177.584 -0.188 0.000 1.223 385 A CA -0.679 51.306 52.037 -0.088 0.000 0.666 385 A CB 1.277 20.243 19.000 -0.057 0.000 1.316 385 A HN 0.534 nan 8.150 nan 0.000 0.468 386 K N 0.858 121.132 120.400 -0.209 0.000 2.172 386 K HA 0.511 4.831 4.320 -0.000 0.000 0.276 386 K C 0.064 176.507 176.600 -0.262 0.000 1.013 386 K CA 0.014 56.083 56.287 -0.364 0.000 0.913 386 K CB 0.781 33.069 32.500 -0.354 0.000 1.055 386 K HN 0.850 nan 8.250 nan 0.000 0.461 387 S N 1.520 117.042 115.700 -0.297 0.000 2.592 387 S HA 0.150 4.620 4.470 -0.000 0.000 0.271 387 S C 0.200 174.704 174.600 -0.160 0.000 1.326 387 S CA -0.979 57.107 58.200 -0.189 0.000 1.024 387 S CB 1.427 64.524 63.200 -0.171 0.000 0.921 387 S HN 0.345 nan 8.310 nan 0.000 0.527 388 V N 2.694 122.547 119.914 -0.102 0.000 2.153 388 V HA 0.284 4.404 4.120 -0.000 0.000 0.250 388 V C 0.232 176.287 176.094 -0.064 0.000 1.334 388 V CA 0.219 62.475 62.300 -0.073 0.000 1.249 388 V CB -1.553 30.241 31.823 -0.048 0.000 1.371 388 V HN 0.841 nan 8.190 nan 0.000 0.498 389 E N 1.373 121.528 120.200 -0.075 0.000 2.416 389 E HA 0.330 4.679 4.350 -0.000 0.000 0.273 389 E C -0.132 176.449 176.600 -0.033 0.000 0.935 389 E CA -0.873 55.495 56.400 -0.054 0.000 0.784 389 E CB 1.890 31.550 29.700 -0.067 0.000 1.301 389 E HN 0.228 nan 8.360 nan 0.000 0.454 390 D N 0.521 120.913 120.400 -0.013 0.000 2.117 390 D HA -0.059 4.581 4.640 -0.000 0.000 0.197 390 D C 0.476 176.792 176.300 0.026 0.000 0.987 390 D CA 1.001 55.006 54.000 0.007 0.000 0.829 390 D CB 0.085 40.890 40.800 0.008 0.000 0.961 390 D HN 0.387 nan 8.370 nan 0.000 0.460 391 A N 0.166 123.000 122.820 0.023 0.000 2.302 391 A HA 0.329 4.649 4.320 -0.000 0.000 0.285 391 A C -0.442 177.179 177.584 0.061 0.000 1.105 391 A CA -0.488 51.584 52.037 0.058 0.000 0.816 391 A CB 0.289 19.317 19.000 0.046 0.000 1.067 391 A HN 0.063 nan 8.150 nan 0.000 0.489 392 F N 2.385 122.332 119.950 -0.006 0.000 2.538 392 F HA 0.388 4.915 4.527 -0.001 0.000 0.371 392 F C 0.271 176.050 175.800 -0.035 0.000 1.087 392 F CA 0.904 58.892 58.000 -0.020 0.000 1.250 392 F CB 0.257 39.257 39.000 0.001 0.000 1.110 392 F HN 0.679 nan 8.300 nan 0.000 0.570 393 N N 1.872 120.161 118.700 -0.685 0.000 2.710 393 N HA 0.353 5.092 4.740 -0.000 0.000 0.257 393 N C -1.396 173.751 175.510 -0.606 0.000 1.327 393 N CA -0.418 52.372 53.050 -0.434 0.000 0.861 393 N CB 1.802 40.164 38.487 -0.208 0.000 1.532 393 N HN 0.589 nan 8.380 nan 0.000 0.499 394 T N -1.373 112.950 114.554 -0.386 0.000 2.952 394 T HA 0.919 5.269 4.350 -0.000 0.000 0.286 394 T C -0.057 174.532 174.700 -0.184 0.000 1.024 394 T CA -0.696 61.199 62.100 -0.341 0.000 1.029 394 T CB 1.698 70.382 68.868 -0.306 0.000 1.094 394 T HN 0.796 nan 8.240 nan 0.000 0.515 395 R N -0.932 119.481 120.500 -0.145 0.000 2.747 395 R HA 0.693 5.032 4.340 -0.000 0.000 0.272 395 R C -1.262 175.007 176.300 -0.052 0.000 1.032 395 R CA -1.091 54.959 56.100 -0.083 0.000 0.896 395 R CB 0.701 30.949 30.300 -0.086 0.000 1.253 395 R HN 0.751 nan 8.270 nan 0.000 0.461 396 T N -0.307 114.233 114.554 -0.024 0.000 2.859 396 T HA 0.675 5.025 4.350 -0.000 0.000 0.281 396 T C 0.455 175.155 174.700 0.000 0.000 1.005 396 T CA -0.846 61.254 62.100 -0.000 0.000 1.025 396 T CB 0.872 69.752 68.868 0.019 0.000 0.977 396 T HN 0.607 nan 8.240 nan 0.000 0.458 397 I N -1.110 119.467 120.570 0.011 0.000 2.689 397 I HA 0.656 4.826 4.170 -0.000 0.000 0.299 397 I C -1.429 174.709 176.117 0.035 0.000 1.059 397 I CA -1.146 60.163 61.300 0.015 0.000 1.055 397 I CB 2.392 40.395 38.000 0.005 0.000 1.243 397 I HN 0.366 nan 8.210 nan 0.000 0.425 398 D N 6.612 127.035 120.400 0.039 0.000 2.373 398 D HA 0.436 5.076 4.640 -0.000 0.000 0.227 398 D C -0.435 175.902 176.300 0.063 0.000 1.091 398 D CA -0.044 53.990 54.000 0.057 0.000 0.840 398 D CB 2.270 43.103 40.800 0.056 0.000 1.060 398 D HN 0.452 nan 8.370 nan 0.000 0.502 399 L N 1.908 123.178 121.223 0.077 0.000 2.290 399 L HA 0.538 4.878 4.340 -0.000 0.000 0.284 399 L C 1.017 177.955 176.870 0.114 0.000 1.078 399 L CA -0.388 54.505 54.840 0.087 0.000 0.815 399 L CB 1.319 43.432 42.059 0.089 0.000 1.162 399 L HN 0.307 nan 8.230 nan 0.000 0.435 400 G N 2.149 111.022 108.800 0.122 0.000 2.574 400 G HA2 0.545 4.505 3.960 -0.000 0.000 0.299 400 G HA3 0.545 4.505 3.960 -0.000 0.000 0.299 400 G C -2.517 172.523 174.900 0.233 0.000 1.298 400 G CA -0.423 44.772 45.100 0.157 0.000 0.952 400 G HN 0.626 nan 8.290 nan 0.000 0.477 401 W N 0.635 121.952 121.300 0.030 0.000 3.217 401 W HA 0.677 5.337 4.660 -0.000 0.000 0.323 401 W C -1.039 175.491 176.519 0.019 0.000 1.216 401 W CA -0.455 56.904 57.345 0.023 0.000 1.194 401 W CB 2.212 31.687 29.460 0.025 0.000 1.397 401 W HN 0.648 nan 8.180 nan 0.000 0.537 402 T N 4.037 118.012 114.554 -0.965 0.000 2.909 402 T HA 0.433 4.782 4.350 -0.000 0.000 0.299 402 T C -0.339 173.428 174.700 -1.555 0.000 1.073 402 T CA -0.684 60.844 62.100 -0.954 0.000 0.999 402 T CB 1.273 69.876 68.868 -0.443 0.000 1.098 402 T HN 0.656 nan 8.240 nan 0.000 0.477 403 V N 1.595 120.861 119.914 -1.079 0.000 2.740 403 V HA 0.551 4.670 4.120 -0.000 0.000 0.303 403 V C 0.597 176.457 176.094 -0.391 0.000 1.054 403 V CA -0.652 61.248 62.300 -0.667 0.000 1.106 403 V CB 0.265 31.957 31.823 -0.218 0.000 0.957 403 V HN 1.008 nan 8.190 nan 0.000 0.486 404 S N 2.132 117.697 115.700 -0.225 0.000 2.652 404 S HA 0.297 4.767 4.470 -0.000 0.000 0.270 404 S C 0.643 175.195 174.600 -0.079 0.000 1.243 404 S CA -0.251 57.869 58.200 -0.134 0.000 0.999 404 S CB 1.305 64.468 63.200 -0.062 0.000 0.973 404 S HN 0.799 nan 8.310 nan 0.000 0.544 405 D N 0.564 120.927 120.400 -0.062 0.000 2.182 405 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 405 D C 1.662 177.948 176.300 -0.024 0.000 0.986 405 D CA 1.323 55.297 54.000 -0.042 0.000 0.847 405 D CB -0.081 40.697 40.800 -0.037 0.000 0.942 405 D HN 0.815 nan 8.370 nan 0.000 0.467 406 E N 0.563 120.754 120.200 -0.015 0.000 2.072 406 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 406 E C 1.269 177.876 176.600 0.011 0.000 0.985 406 E CA 0.854 57.254 56.400 0.000 0.000 0.801 406 E CB 0.232 29.937 29.700 0.009 0.000 0.750 406 E HN 0.139 nan 8.360 nan 0.000 0.452 407 D N 0.371 120.782 120.400 0.019 0.000 2.178 407 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 407 D C 1.751 178.065 176.300 0.024 0.000 0.974 407 D CA 0.824 54.849 54.000 0.041 0.000 0.841 407 D CB -0.090 40.755 40.800 0.077 0.000 0.953 407 D HN 0.118 nan 8.370 nan 0.000 0.478 408 K N 0.440 120.839 120.400 -0.001 0.000 2.217 408 K HA -0.078 4.242 4.320 -0.000 0.000 0.202 408 K C 1.760 178.359 176.600 -0.001 0.000 1.051 408 K CA 0.773 57.055 56.287 -0.008 0.000 0.952 408 K CB 0.356 32.840 32.500 -0.027 0.000 0.736 408 K HN -0.120 nan 8.250 nan 0.000 0.453 409 K N 0.490 120.890 120.400 -0.001 0.000 2.044 409 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 409 K C 1.537 178.143 176.600 0.010 0.000 1.045 409 K CA 0.902 57.188 56.287 -0.001 0.000 0.951 409 K CB -0.454 32.041 32.500 -0.008 0.000 0.738 409 K HN 0.131 nan 8.250 nan 0.000 0.443 410 N N 1.116 119.826 118.700 0.016 0.000 2.573 410 N HA -0.085 4.655 4.740 -0.000 0.000 0.187 410 N C 0.394 175.927 175.510 0.038 0.000 1.107 410 N CA 0.446 53.513 53.050 0.027 0.000 0.918 410 N CB -0.297 38.208 38.487 0.031 0.000 0.966 410 N HN 0.119 nan 8.380 nan 0.000 0.448 411 T N 2.734 117.309 114.554 0.034 0.000 2.799 411 T HA 0.205 4.555 4.350 -0.000 0.000 0.296 411 T C -2.502 172.222 174.700 0.041 0.000 0.947 411 T CA -1.383 60.739 62.100 0.036 0.000 1.141 411 T CB 0.578 69.464 68.868 0.029 0.000 0.891 411 T HN -0.036 nan 8.240 nan 0.000 0.533 412 P HA 0.174 nan 4.420 nan 0.000 0.276 412 P C -0.086 177.242 177.300 0.046 0.000 1.230 412 P CA -0.525 62.610 63.100 0.058 0.000 0.776 412 P CB 0.450 32.190 31.700 0.066 0.000 0.888 413 E N 4.510 124.750 120.200 0.068 0.000 2.404 413 E HA 0.038 4.388 4.350 -0.000 0.000 0.261 413 E C -1.982 174.636 176.600 0.029 0.000 1.074 413 E CA -1.425 55.012 56.400 0.061 0.000 0.917 413 E CB -0.465 29.306 29.700 0.118 0.000 0.965 413 E HN 0.211 nan 8.360 nan 0.000 0.433 414 P HA -0.220 nan 4.420 nan 0.000 0.214 414 P C 1.096 178.314 177.300 -0.137 0.000 1.172 414 P CA 1.658 64.663 63.100 -0.158 0.000 0.925 414 P CB -0.204 31.300 31.700 -0.327 0.000 0.793 415 Y N -0.263 120.027 120.300 -0.017 0.000 2.151 415 Y HA -0.221 4.328 4.550 -0.000 0.000 0.284 415 Y C 2.660 178.612 175.900 0.087 0.000 1.166 415 Y CA 1.652 59.780 58.100 0.048 0.000 1.163 415 Y CB -0.932 37.548 38.460 0.033 0.000 0.974 415 Y HN 0.105 nan 8.280 nan 0.000 0.511 416 E N 0.072 120.392 120.200 0.200 0.000 2.110 416 E HA -0.276 4.073 4.350 -0.000 0.000 0.193 416 E C 2.329 179.017 176.600 0.147 0.000 0.988 416 E CA 1.059 57.551 56.400 0.153 0.000 0.804 416 E CB 0.004 29.770 29.700 0.111 0.000 0.745 416 E HN 0.237 nan 8.360 nan 0.000 0.458 417 R N 0.378 120.941 120.500 0.105 0.000 2.062 417 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 417 R C 2.378 178.745 176.300 0.112 0.000 1.136 417 R CA 1.881 58.029 56.100 0.079 0.000 0.948 417 R CB -0.377 29.927 30.300 0.007 0.000 0.845 417 R HN 0.203 nan 8.270 nan 0.000 0.430 418 M N -0.343 119.332 119.600 0.125 0.000 2.065 418 M HA -0.182 4.298 4.480 -0.000 0.000 0.259 418 M C 2.261 178.778 176.300 0.362 0.000 1.069 418 M CA 1.876 57.358 55.300 0.303 0.000 1.110 418 M CB -0.434 32.343 32.600 0.295 0.000 1.328 418 M HN 0.161 nan 8.290 nan 0.000 0.405 419 I N -1.089 119.660 120.570 0.298 0.000 2.179 419 I HA -0.357 3.813 4.170 -0.000 0.000 0.242 419 I C 2.558 178.780 176.117 0.175 0.000 1.088 419 I CA 1.619 63.066 61.300 0.245 0.000 1.357 419 I CB -0.731 37.434 38.000 0.274 0.000 1.051 419 I HN 0.428 nan 8.210 nan 0.000 0.409 420 H N 0.599 119.690 119.070 0.036 0.000 2.387 420 H HA -0.191 4.365 4.556 -0.000 0.000 0.299 420 H C 1.778 177.078 175.328 -0.046 0.000 1.090 420 H CA 1.230 57.241 56.048 -0.061 0.000 1.332 420 H CB 0.268 29.942 29.762 -0.146 0.000 1.386 420 H HN 0.289 nan 8.280 nan 0.000 0.516 421 D N -0.256 120.183 120.400 0.065 0.000 2.084 421 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 421 D C 2.075 178.394 176.300 0.032 0.000 0.990 421 D CA 1.726 55.770 54.000 0.075 0.000 0.826 421 D CB -0.464 40.536 40.800 0.334 0.000 0.971 421 D HN 0.390 nan 8.370 nan 0.000 0.453 422 T N 1.151 115.650 114.554 -0.092 0.000 2.720 422 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 422 T C 2.141 176.538 174.700 -0.505 0.000 1.037 422 T CA 1.075 62.758 62.100 -0.695 0.000 1.144 422 T CB -0.187 68.173 68.868 -0.846 0.000 0.864 422 T HN 0.183 nan 8.240 nan 0.000 0.444 423 M N 1.211 120.683 119.600 -0.213 0.000 2.213 423 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 423 M C 1.885 178.094 176.300 -0.151 0.000 1.062 423 M CA 1.173 56.404 55.300 -0.114 0.000 1.105 423 M CB -0.364 32.274 32.600 0.064 0.000 1.385 423 M HN 0.171 nan 8.290 nan 0.000 0.417 424 N N -0.306 118.317 118.700 -0.129 0.000 2.424 424 N HA 0.054 4.794 4.740 -0.000 0.000 0.178 424 N C 1.068 176.505 175.510 -0.122 0.000 1.060 424 N CA 1.114 54.102 53.050 -0.103 0.000 0.901 424 N CB 0.538 38.958 38.487 -0.112 0.000 0.979 424 N HN 0.501 nan 8.380 nan 0.000 0.451 425 G N 1.703 110.417 108.800 -0.144 0.000 2.165 425 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.226 425 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.226 425 G C -0.668 174.325 174.900 0.155 0.000 1.035 425 G CA -0.058 45.041 45.100 -0.002 0.000 0.744 425 G HN 0.333 nan 8.290 nan 0.000 0.501 426 D N 0.012 120.533 120.400 0.203 0.000 2.500 426 D HA 0.522 5.162 4.640 -0.000 0.000 0.219 426 D C 1.589 178.101 176.300 0.352 0.000 1.137 426 D CA 0.521 54.634 54.000 0.188 0.000 0.946 426 D CB -0.031 40.822 40.800 0.089 0.000 1.022 426 D HN 0.237 nan 8.370 nan 0.000 0.518 427 G N 1.372 110.285 108.800 0.188 0.000 2.848 427 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.208 427 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.208 427 G C 1.545 176.513 174.900 0.114 0.000 1.152 427 G CA 0.060 45.230 45.100 0.116 0.000 0.789 427 G HN 0.436 nan 8.290 nan 0.000 0.531 428 S N 1.628 117.352 115.700 0.041 0.000 2.372 428 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 428 S C 1.763 176.362 174.600 -0.003 0.000 1.044 428 S CA 1.101 59.275 58.200 -0.043 0.000 1.050 428 S CB -0.176 62.981 63.200 -0.071 0.000 0.901 428 S HN 0.459 nan 8.310 nan 0.000 0.447 429 N N 0.567 119.250 118.700 -0.028 0.000 2.362 429 N HA 0.253 4.993 4.740 -0.000 0.000 0.211 429 N C -1.015 174.198 175.510 -0.495 0.000 1.170 429 N CA 0.284 53.231 53.050 -0.171 0.000 0.828 429 N CB 0.006 38.333 38.487 -0.267 0.000 1.034 429 N HN 0.276 nan 8.380 nan 0.000 0.475 430 F N 0.309 120.237 119.950 -0.037 0.000 2.551 430 F HA 0.539 5.066 4.527 -0.000 0.000 0.316 430 F C 0.353 176.058 175.800 -0.159 0.000 1.089 430 F CA -1.422 56.525 58.000 -0.088 0.000 0.915 430 F CB 1.159 40.066 39.000 -0.156 0.000 1.186 430 F HN -0.183 nan 8.300 nan 0.000 0.456 431 A N 1.938 124.787 122.820 0.049 0.000 2.388 431 A HA 0.497 4.817 4.320 -0.000 0.000 0.257 431 A C -0.448 177.051 177.584 -0.142 0.000 1.095 431 A CA -0.407 51.574 52.037 -0.093 0.000 0.791 431 A CB 0.013 18.938 19.000 -0.124 0.000 1.029 431 A HN 0.710 nan 8.150 nan 0.000 0.489 432 D N 0.324 120.618 120.400 -0.177 0.000 2.442 432 D HA 0.038 4.677 4.640 -0.000 0.000 0.254 432 D C 1.080 177.306 176.300 -0.123 0.000 1.069 432 D CA -0.917 52.995 54.000 -0.146 0.000 1.017 432 D CB 0.222 40.953 40.800 -0.115 0.000 1.172 432 D HN 0.722 nan 8.370 nan 0.000 0.561 433 W N 1.022 122.199 121.300 -0.205 0.000 2.318 433 W HA -0.287 4.372 4.660 -0.000 0.000 0.313 433 W C 1.393 177.845 176.519 -0.112 0.000 1.221 433 W CA 1.785 59.041 57.345 -0.149 0.000 1.266 433 W CB -0.169 29.252 29.460 -0.064 0.000 1.150 433 W HN 0.531 nan 8.180 nan 0.000 0.496 434 N N 0.114 118.613 118.700 -0.335 0.000 2.104 434 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 434 N C 2.060 177.241 175.510 -0.548 0.000 1.024 434 N CA 2.839 55.628 53.050 -0.436 0.000 0.853 434 N CB -0.968 37.407 38.487 -0.187 0.000 1.008 434 N HN 0.164 nan 8.380 nan 0.000 0.424 435 G N -0.351 108.112 108.800 -0.562 0.000 2.404 435 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.215 435 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.215 435 G C 1.558 175.967 174.900 -0.819 0.000 1.174 435 G CA 0.963 45.482 45.100 -0.969 0.000 0.780 435 G HN 0.226 nan 8.290 nan 0.000 0.537 436 V N 2.069 121.648 119.914 -0.558 0.000 2.343 436 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 436 V C 3.311 179.193 176.094 -0.352 0.000 1.051 436 V CA 2.424 64.486 62.300 -0.396 0.000 1.036 436 V CB -0.708 30.986 31.823 -0.216 0.000 0.654 436 V HN 0.621 nan 8.190 nan 0.000 0.451 437 S N 0.417 115.711 115.700 -0.677 0.000 2.356 437 S HA -0.182 4.288 4.470 -0.000 0.000 0.223 437 S C 2.006 176.472 174.600 -0.224 0.000 1.032 437 S CA 1.602 59.474 58.200 -0.547 0.000 1.005 437 S CB -0.563 61.988 63.200 -1.082 0.000 0.867 437 S HN 0.377 nan 8.310 nan 0.000 0.449 438 I N 3.235 123.584 120.570 -0.370 0.000 2.179 438 I HA -0.116 4.053 4.170 -0.000 0.000 0.242 438 I C 3.152 179.161 176.117 -0.180 0.000 1.088 438 I CA 1.280 62.421 61.300 -0.264 0.000 1.357 438 I CB -2.080 35.743 38.000 -0.295 0.000 1.051 438 I HN 0.436 nan 8.210 nan 0.000 0.409 439 A N 0.121 122.757 122.820 -0.306 0.000 1.892 439 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 439 A C 2.267 179.778 177.584 -0.122 0.000 1.188 439 A CA 1.927 53.820 52.037 -0.240 0.000 0.631 439 A CB -1.311 17.441 19.000 -0.414 0.000 0.822 439 A HN 0.534 nan 8.150 nan 0.000 0.447 440 W N -0.158 121.120 121.300 -0.038 0.000 2.355 440 W HA -0.146 4.514 4.660 -0.000 0.000 0.309 440 W C 2.479 179.000 176.519 0.003 0.000 1.206 440 W CA 1.420 58.784 57.345 0.031 0.000 1.284 440 W CB -0.039 29.502 29.460 0.134 0.000 1.145 440 W HN 0.261 nan 8.180 nan 0.000 0.502 441 K N -0.673 119.840 120.400 0.189 0.000 2.032 441 K HA -0.243 4.077 4.320 -0.000 0.000 0.209 441 K C 1.827 178.418 176.600 -0.014 0.000 1.048 441 K CA 1.826 58.110 56.287 -0.005 0.000 0.927 441 K CB -0.795 31.611 32.500 -0.156 0.000 0.712 441 K HN 0.063 nan 8.250 nan 0.000 0.441 442 F N 1.425 121.286 119.950 -0.149 0.000 2.046 442 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 442 F C 1.999 177.670 175.800 -0.215 0.000 1.123 442 F CA 1.313 59.179 58.000 -0.224 0.000 1.199 442 F CB -0.475 38.378 39.000 -0.245 0.000 0.972 442 F HN -0.270 nan 8.300 nan 0.000 0.474 443 V N 0.423 120.206 119.914 -0.220 0.000 2.427 443 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 443 V C 2.085 178.064 176.094 -0.190 0.000 1.051 443 V CA 2.098 64.230 62.300 -0.281 0.000 1.048 443 V CB -0.755 31.006 31.823 -0.103 0.000 0.666 443 V HN 0.274 nan 8.190 nan 0.000 0.456 444 D N 0.670 121.066 120.400 -0.006 0.000 2.116 444 D HA -0.180 4.460 4.640 -0.000 0.000 0.193 444 D C 2.222 178.440 176.300 -0.136 0.000 0.998 444 D CA 1.772 55.771 54.000 -0.001 0.000 0.836 444 D CB -0.376 40.461 40.800 0.062 0.000 0.951 444 D HN 0.438 nan 8.370 nan 0.000 0.449 445 A N 0.146 122.837 122.820 -0.214 0.000 1.972 445 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 445 A C 2.345 179.729 177.584 -0.333 0.000 1.169 445 A CA 0.973 52.865 52.037 -0.241 0.000 0.635 445 A CB -0.570 18.278 19.000 -0.254 0.000 0.810 445 A HN 0.242 nan 8.150 nan 0.000 0.446 446 I N -0.780 119.487 120.570 -0.504 0.000 2.235 446 I HA -0.165 4.005 4.170 -0.000 0.000 0.241 446 I C 2.654 178.361 176.117 -0.684 0.000 1.085 446 I CA 1.230 62.103 61.300 -0.711 0.000 1.378 446 I CB -0.480 36.963 38.000 -0.927 0.000 1.076 446 I HN 0.198 nan 8.210 nan 0.000 0.415 447 S N 1.187 116.636 115.700 -0.418 0.000 2.380 447 S HA -0.281 4.189 4.470 -0.000 0.000 0.229 447 S C 2.266 176.788 174.600 -0.130 0.000 1.043 447 S CA 1.507 59.586 58.200 -0.201 0.000 1.038 447 S CB -0.572 62.592 63.200 -0.060 0.000 0.872 447 S HN 0.553 nan 8.310 nan 0.000 0.456 448 A N 1.318 124.053 122.820 -0.142 0.000 1.873 448 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 448 A C 2.385 179.936 177.584 -0.055 0.000 1.193 448 A CA 2.116 54.104 52.037 -0.081 0.000 0.629 448 A CB -1.145 17.803 19.000 -0.086 0.000 0.826 448 A HN 0.377 nan 8.150 nan 0.000 0.447 449 V N -1.215 118.634 119.914 -0.108 0.000 2.407 449 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 449 V C 2.462 178.646 176.094 0.150 0.000 1.055 449 V CA 1.823 64.113 62.300 -0.017 0.000 1.049 449 V CB -1.136 30.651 31.823 -0.060 0.000 0.662 449 V HN 0.611 nan 8.190 nan 0.000 0.455 450 Y N 1.149 121.435 120.300 -0.024 0.000 2.163 450 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 450 Y C 2.904 178.800 175.900 -0.007 0.000 1.136 450 Y CA 1.330 59.423 58.100 -0.011 0.000 1.147 450 Y CB -1.679 36.770 38.460 -0.019 0.000 0.987 450 Y HN 0.247 nan 8.280 nan 0.000 0.509 451 T N 0.205 114.850 114.554 0.152 0.000 2.746 451 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 451 T C 2.109 176.846 174.700 0.062 0.000 1.039 451 T CA 1.407 63.555 62.100 0.081 0.000 1.142 451 T CB -0.537 68.358 68.868 0.045 0.000 0.866 451 T HN 0.375 nan 8.240 nan 0.000 0.444 452 A N 0.776 123.631 122.820 0.059 0.000 2.168 452 A HA 0.099 4.419 4.320 -0.000 0.000 0.215 452 A C 1.138 178.754 177.584 0.053 0.000 1.152 452 A CA 1.164 53.227 52.037 0.044 0.000 0.716 452 A CB -0.532 18.487 19.000 0.031 0.000 0.794 452 A HN 0.515 nan 8.150 nan 0.000 0.465 453 D N -2.282 118.164 120.400 0.078 0.000 2.870 453 D HA -0.120 4.520 4.640 -0.000 0.000 0.228 453 D C 0.314 176.653 176.300 0.065 0.000 1.147 453 D CA 1.050 55.091 54.000 0.068 0.000 0.757 453 D CB -0.716 40.108 40.800 0.040 0.000 1.091 453 D HN 0.297 nan 8.370 nan 0.000 0.429 454 K N -0.708 119.741 120.400 0.083 0.000 2.520 454 K HA 0.552 4.872 4.320 -0.000 0.000 0.205 454 K C 0.164 176.817 176.600 0.087 0.000 1.035 454 K CA 0.464 56.791 56.287 0.066 0.000 1.188 454 K CB 0.511 33.040 32.500 0.048 0.000 0.894 454 K HN 0.358 nan 8.250 nan 0.000 0.497 455 A N 1.994 124.884 122.820 0.116 0.000 2.475 455 A HA 0.607 4.927 4.320 -0.000 0.000 0.301 455 A C -2.710 174.910 177.584 0.059 0.000 1.059 455 A CA -1.368 50.748 52.037 0.131 0.000 0.710 455 A CB 1.575 20.752 19.000 0.295 0.000 1.288 455 A HN -0.095 nan 8.150 nan 0.000 0.408 456 P HA 0.410 nan 4.420 nan 0.000 0.274 456 P C -1.022 176.266 177.300 -0.019 0.000 1.237 456 P CA -0.268 62.842 63.100 0.017 0.000 0.793 456 P CB 1.092 32.811 31.700 0.031 0.000 0.977 457 L N 1.979 123.188 121.223 -0.022 0.000 2.294 457 L HA 0.324 4.664 4.340 -0.000 0.000 0.283 457 L C 0.222 177.102 176.870 0.016 0.000 1.015 457 L CA -0.359 54.459 54.840 -0.036 0.000 0.831 457 L CB 0.620 42.651 42.059 -0.047 0.000 1.217 457 L HN 0.194 nan 8.230 nan 0.000 0.420 458 E N 2.118 122.348 120.200 0.049 0.000 2.369 458 E HA 0.311 4.661 4.350 -0.000 0.000 0.255 458 E C -0.371 176.295 176.600 0.110 0.000 1.172 458 E CA -0.215 56.232 56.400 0.078 0.000 0.932 458 E CB 1.181 30.935 29.700 0.091 0.000 1.040 458 E HN 0.571 nan 8.360 nan 0.000 0.454 459 T N 0.057 114.679 114.554 0.113 0.000 2.906 459 T HA 0.618 4.968 4.350 -0.000 0.000 0.295 459 T C -1.636 173.172 174.700 0.180 0.000 1.061 459 T CA -0.662 61.499 62.100 0.101 0.000 1.000 459 T CB 0.539 69.425 68.868 0.031 0.000 1.103 459 T HN 0.425 nan 8.240 nan 0.000 0.486 460 Y N 0.330 120.630 120.300 -0.000 0.000 2.609 460 Y HA 0.659 5.209 4.550 -0.000 0.000 0.336 460 Y C -0.723 175.193 175.900 0.026 0.000 1.129 460 Y CA -1.450 56.632 58.100 -0.030 0.000 1.040 460 Y CB 1.061 39.442 38.460 -0.133 0.000 1.310 460 Y HN 0.653 nan 8.280 nan 0.000 0.460 461 K N 1.659 122.134 120.400 0.126 0.000 2.298 461 K HA 0.358 4.678 4.320 -0.000 0.000 0.280 461 K C -0.549 176.105 176.600 0.090 0.000 1.032 461 K CA -0.215 56.106 56.287 0.057 0.000 0.958 461 K CB 0.617 33.140 32.500 0.039 0.000 0.978 461 K HN 0.834 nan 8.250 nan 0.000 0.472 462 S N 2.024 117.754 115.700 0.050 0.000 2.498 462 S HA 0.253 4.723 4.470 -0.000 0.000 0.281 462 S C 0.911 175.550 174.600 0.065 0.000 1.265 462 S CA 0.484 58.740 58.200 0.092 0.000 1.071 462 S CB 0.794 64.124 63.200 0.218 0.000 0.894 462 S HN 0.950 nan 8.310 nan 0.000 0.491 463 G N 2.528 111.389 108.800 0.101 0.000 2.316 463 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.203 463 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.203 463 G C 0.440 175.359 174.900 0.033 0.000 0.999 463 G CA 0.037 45.159 45.100 0.037 0.000 0.649 463 G HN 0.964 nan 8.290 nan 0.000 0.489 464 S N -0.152 115.581 115.700 0.055 0.000 2.596 464 S HA 0.698 5.168 4.470 -0.000 0.000 0.262 464 S C 1.189 175.780 174.600 -0.015 0.000 1.218 464 S CA 0.291 58.498 58.200 0.012 0.000 0.998 464 S CB 0.617 63.830 63.200 0.020 0.000 1.060 464 S HN 0.076 nan 8.310 nan 0.000 0.552 465 M N 1.075 120.615 119.600 -0.100 0.000 2.484 465 M HA 0.353 4.833 4.480 -0.000 0.000 0.307 465 M C 0.809 176.869 176.300 -0.400 0.000 1.149 465 M CA 0.539 55.748 55.300 -0.151 0.000 0.972 465 M CB -0.614 31.912 32.600 -0.123 0.000 1.400 465 M HN 1.096 nan 8.290 nan 0.000 0.508 466 G N 1.477 109.908 108.800 -0.615 0.000 2.331 466 G HA2 0.008 3.968 3.960 -0.000 0.000 0.402 466 G HA3 0.008 3.968 3.960 -0.000 0.000 0.402 466 G C -3.309 171.157 174.900 -0.724 0.000 1.275 466 G CA -1.085 43.208 45.100 -1.346 0.000 1.003 466 G HN 0.049 nan 8.290 nan 0.000 0.500 467 P HA 0.344 nan 4.420 nan 0.000 0.281 467 P C 0.521 177.748 177.300 -0.122 0.000 1.249 467 P CA -0.208 62.763 63.100 -0.215 0.000 0.810 467 P CB 1.369 32.996 31.700 -0.122 0.000 1.008 468 E N 1.868 122.045 120.200 -0.039 0.000 2.097 468 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 468 E C 1.986 178.600 176.600 0.024 0.000 1.000 468 E CA 1.914 58.311 56.400 -0.005 0.000 0.804 468 E CB -1.127 28.577 29.700 0.007 0.000 0.740 468 E HN 0.594 nan 8.360 nan 0.000 0.454 469 A N 1.218 124.057 122.820 0.032 0.000 2.042 469 A HA -0.257 4.063 4.320 -0.000 0.000 0.222 469 A C 2.411 180.060 177.584 0.109 0.000 1.167 469 A CA 2.093 54.169 52.037 0.065 0.000 0.649 469 A CB -0.677 18.368 19.000 0.075 0.000 0.809 469 A HN 0.272 nan 8.150 nan 0.000 0.457 470 S N -0.463 115.313 115.700 0.127 0.000 2.348 470 S HA -0.189 4.281 4.470 -0.000 0.000 0.221 470 S C 1.743 176.531 174.600 0.314 0.000 1.033 470 S CA 1.625 59.988 58.200 0.271 0.000 1.010 470 S CB -0.477 62.860 63.200 0.228 0.000 0.891 470 S HN 0.618 nan 8.310 nan 0.000 0.442 471 D N 0.915 121.445 120.400 0.216 0.000 2.144 471 D HA -0.062 4.578 4.640 -0.000 0.000 0.199 471 D C 1.971 178.289 176.300 0.030 0.000 0.984 471 D CA 0.984 55.075 54.000 0.152 0.000 0.834 471 D CB -0.202 40.660 40.800 0.104 0.000 0.955 471 D HN 0.524 nan 8.370 nan 0.000 0.465 472 K N 0.331 120.756 120.400 0.042 0.000 2.211 472 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 472 K C 2.065 178.672 176.600 0.011 0.000 1.050 472 K CA 0.127 56.424 56.287 0.017 0.000 0.945 472 K CB -0.019 32.498 32.500 0.027 0.000 0.732 472 K HN 0.044 nan 8.250 nan 0.000 0.451 473 L N 1.081 122.326 121.223 0.037 0.000 2.017 473 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 473 L C 1.782 178.630 176.870 -0.036 0.000 1.073 473 L CA 1.657 56.527 54.840 0.051 0.000 0.745 473 L CB -0.273 41.858 42.059 0.119 0.000 0.894 473 L HN 0.012 nan 8.230 nan 0.000 0.432 474 L N -0.371 120.692 121.223 -0.267 0.000 2.095 474 L HA 0.069 4.408 4.340 -0.000 0.000 0.204 474 L C 2.665 179.392 176.870 -0.237 0.000 1.080 474 L CA 1.568 56.097 54.840 -0.519 0.000 0.759 474 L CB -1.398 40.041 42.059 -1.034 0.000 0.914 474 L HN 0.278 nan 8.230 nan 0.000 0.439 475 A N -0.142 122.584 122.820 -0.157 0.000 1.986 475 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 475 A C 2.476 180.038 177.584 -0.036 0.000 1.171 475 A CA 1.760 53.747 52.037 -0.083 0.000 0.640 475 A CB -0.885 18.085 19.000 -0.050 0.000 0.811 475 A HN 0.383 nan 8.150 nan 0.000 0.451 476 A N -0.355 122.458 122.820 -0.011 0.000 2.070 476 A HA -0.136 4.183 4.320 -0.000 0.000 0.220 476 A C 1.539 179.149 177.584 0.044 0.000 1.159 476 A CA 1.633 53.686 52.037 0.026 0.000 0.656 476 A CB -0.332 18.699 19.000 0.052 0.000 0.800 476 A HN 0.523 nan 8.150 nan 0.000 0.453 477 N N -1.113 117.615 118.700 0.048 0.000 2.204 477 N HA 0.236 4.976 4.740 -0.000 0.000 0.219 477 N C 0.773 176.296 175.510 0.022 0.000 1.151 477 N CA 0.779 53.866 53.050 0.063 0.000 0.867 477 N CB 0.581 39.146 38.487 0.130 0.000 1.043 477 N HN 0.534 nan 8.380 nan 0.000 0.516 478 G N 1.145 109.939 108.800 -0.009 0.000 2.272 478 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.280 478 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.280 478 G C -0.702 174.165 174.900 -0.055 0.000 1.067 478 G CA 0.124 45.208 45.100 -0.026 0.000 0.902 478 G HN 0.250 nan 8.290 nan 0.000 0.500 479 D N -0.606 119.727 120.400 -0.112 0.000 2.585 479 D HA 0.898 5.538 4.640 -0.000 0.000 0.254 479 D C 0.275 176.405 176.300 -0.283 0.000 1.067 479 D CA 0.501 54.385 54.000 -0.192 0.000 1.090 479 D CB 1.923 42.583 40.800 -0.233 0.000 1.408 479 D HN 1.066 nan 8.370 nan 0.000 0.554 480 A N -0.352 122.268 122.820 -0.333 0.000 2.604 480 A HA 0.489 4.809 4.320 -0.000 0.000 0.295 480 A C -1.927 175.472 177.584 -0.309 0.000 1.067 480 A CA -0.846 51.010 52.037 -0.302 0.000 0.683 480 A CB 0.611 19.540 19.000 -0.118 0.000 1.281 480 A HN 0.470 nan 8.150 nan 0.000 0.407 481 W N 1.851 123.081 121.300 -0.117 0.000 2.308 481 W HA 0.353 5.013 4.660 -0.000 0.000 0.324 481 W C 1.220 177.726 176.519 -0.021 0.000 1.387 481 W CA 0.023 57.331 57.345 -0.062 0.000 1.250 481 W CB 0.910 30.356 29.460 -0.023 0.000 1.257 481 W HN 0.505 nan 8.180 nan 0.000 0.554 482 V N 3.926 123.996 119.914 0.261 0.000 2.244 482 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 482 V C 0.862 177.083 176.094 0.210 0.000 1.042 482 V CA 0.878 63.285 62.300 0.179 0.000 1.006 482 V CB -0.890 31.024 31.823 0.152 0.000 0.641 482 V HN 0.366 nan 8.190 nan 0.000 0.446 483 F N 1.717 121.749 119.950 0.137 0.000 2.533 483 F HA 0.187 4.714 4.527 -0.000 0.000 0.378 483 F C 1.229 177.068 175.800 0.064 0.000 1.070 483 F CA -0.150 57.898 58.000 0.079 0.000 1.172 483 F CB 0.403 39.434 39.000 0.053 0.000 1.085 483 F HN -0.115 nan 8.300 nan 0.000 0.552 484 K N 4.294 124.352 120.400 -0.570 0.000 2.354 484 K HA 0.384 4.704 4.320 -0.000 0.000 0.194 484 K C 0.718 176.967 176.600 -0.584 0.000 1.038 484 K CA 0.626 56.664 56.287 -0.415 0.000 1.052 484 K CB 0.032 32.399 32.500 -0.222 0.000 0.861 484 K HN 0.906 nan 8.250 nan 0.000 0.535 485 G N 0.000 108.072 108.800 -1.213 0.000 5.446 485 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 485 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 485 G CA 0.000 44.688 45.100 -0.687 0.000 0.502 485 G HN 0.000 nan 8.290 nan 0.000 0.925