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 3opb_1_B DATA FIRST_RESID 2 DATA SEQUENCE PLXXKGNDPI DSSTIDSLCA AFDKTXXXXP DVQKYNDAIN TIFQLRQKSE DATA SEQUENCE SGKMPADLTN SEALKDRQKI EEILTRSYQD HSESRVHLSK LIQNDIPFAL DATA SEQUENCE NLFEILSRSS IHVFVGCFSN KDATIALLNE LQIRIHYGED THVTYLLSII DATA SEQUENCE LQLLNKFKYN FKEVRFLVKE LILRISEDEV KSMMLIIFAE LQSSFQKDFD DATA SEQUENCE KAVVDFMSSL IVEAEIDVGN DPLSIIVKTL SELYPSLTTL CSEIFLTKGL DATA SEQUENCE SKLFKKRVFE EQDLQFTKEL LRLLSSACID ETMRTYITEN YLQLLERSLN DATA SEQUENCE VEDVQIYSAL VLVKTWSFTK LTCINLKQLS EIFINAISRR IVPKVEMSVE DATA SEQUENCE ALAYLSLKAS VKIMIRSNES FTEILLTMIK SQKMTHCLYG LLVIMANLST DATA SEQUENCE LPEEXXXXXX XXXXXXXXXX XXXPAADKVG AEKAAKEDIL LFNEKYILRT DATA SEQUENCE ELISFLKREM HNLSPNCKQQ VVRIIYNITR SKNFIPQLAQ QGAVKIILEY DATA SEQUENCE LANKQDIGEP IRILGCRALT RMLIFTNPGL IFKKYSALNA IPFLFELLPR DATA SEQUENCE STXXXXNPLH NDEQIKLTDN YEALLALTNL ASSETSDGEE VCKHIVSTKV DATA SEQUENCE YWSTIENLML DENVPLQRST LELISNMMSH PLTIAAKFFN LENPQSLRNF DATA SEQUENCE NILVKLLQLS DVESQRAVAA IFANIATTIP LIAKELLTKK ELIENAIQVF DATA SEQUENCE ADQIDDIELR QRLLMLFFGL FEVIPDNGTN EVYPLLQENQ KLKDALNMSL DATA SEQUENCE KRGDSGPEFS AAIPVILAKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.301 177.300 0.001 0.000 1.155 2 P CA 0.000 63.100 63.100 0.001 0.000 0.800 2 P CB 0.000 31.700 31.700 0.000 0.000 0.726 7 G N 1.072 109.872 108.800 0.001 0.000 2.347 7 G HA2 -0.161 3.799 3.960 0.001 0.000 0.224 7 G HA3 -0.161 3.799 3.960 0.001 0.000 0.224 7 G C -0.011 174.889 174.900 0.001 0.000 1.318 7 G CA -0.156 44.945 45.100 0.001 0.000 1.016 7 G HN 0.284 nan 8.290 nan 0.000 0.469 8 N N 0.526 119.226 118.700 0.001 0.000 2.309 8 N HA -0.017 4.724 4.740 0.001 0.000 0.182 8 N C 0.173 175.684 175.510 0.001 0.000 1.018 8 N CA 1.959 55.010 53.050 0.001 0.000 0.876 8 N CB 0.364 38.851 38.487 0.001 0.000 0.972 8 N HN 0.513 nan 8.380 nan 0.000 0.434 9 D N 0.385 120.786 120.400 0.002 0.000 2.978 9 D HA 0.350 4.991 4.640 0.001 0.000 0.268 9 D C -2.721 173.581 176.300 0.003 0.000 1.252 9 D CA -1.471 52.530 54.000 0.002 0.000 0.771 9 D CB 0.691 41.493 40.800 0.002 0.000 1.361 9 D HN -0.025 nan 8.370 nan 0.000 0.558 10 P HA 0.368 nan 4.420 nan 0.000 0.270 10 P C -0.280 177.022 177.300 0.004 0.000 1.223 10 P CA -0.186 62.915 63.100 0.003 0.000 0.785 10 P CB 1.038 32.739 31.700 0.002 0.000 0.923 11 I N 0.799 121.371 120.570 0.005 0.000 2.533 11 I HA 0.167 4.337 4.170 0.001 0.000 0.290 11 I C -0.518 175.603 176.117 0.006 0.000 1.056 11 I CA -0.957 60.347 61.300 0.006 0.000 1.057 11 I CB 1.900 39.905 38.000 0.008 0.000 1.240 11 I HN 0.224 nan 8.210 nan 0.000 0.423 12 D N 3.454 123.858 120.400 0.007 0.000 2.554 12 D HA -0.058 4.582 4.640 0.001 0.000 0.251 12 D C 1.169 177.474 176.300 0.008 0.000 1.213 12 D CA 0.615 54.619 54.000 0.006 0.000 0.900 12 D CB 0.793 41.596 40.800 0.006 0.000 1.135 12 D HN 0.392 nan 8.370 nan 0.000 0.522 13 S N 1.692 117.396 115.700 0.007 0.000 2.465 13 S HA -0.179 4.291 4.470 0.001 0.000 0.241 13 S C 1.985 176.590 174.600 0.009 0.000 1.000 13 S CA 1.328 59.533 58.200 0.008 0.000 0.964 13 S CB -0.027 63.176 63.200 0.006 0.000 0.763 13 S HN 0.574 nan 8.310 nan 0.000 0.512 14 S N -0.161 115.544 115.700 0.008 0.000 2.406 14 S HA -0.069 4.401 4.470 0.001 0.000 0.228 14 S C 1.872 176.479 174.600 0.011 0.000 1.020 14 S CA 1.373 59.578 58.200 0.008 0.000 0.965 14 S CB -1.093 62.110 63.200 0.005 0.000 0.798 14 S HN 0.491 nan 8.310 nan 0.000 0.488 15 T N 3.282 117.843 114.554 0.012 0.000 2.684 15 T HA -0.009 4.342 4.350 0.001 0.000 0.267 15 T C 1.718 176.434 174.700 0.026 0.000 1.036 15 T CA 1.810 63.919 62.100 0.016 0.000 1.148 15 T CB -0.609 68.269 68.868 0.016 0.000 0.863 15 T HN 0.423 nan 8.240 nan 0.000 0.436 16 I N 1.471 122.058 120.570 0.027 0.000 2.163 16 I HA -0.210 3.961 4.170 0.001 0.000 0.243 16 I C 2.404 178.547 176.117 0.044 0.000 1.085 16 I CA 1.334 62.656 61.300 0.037 0.000 1.347 16 I CB -0.489 37.527 38.000 0.026 0.000 1.044 16 I HN 0.207 nan 8.210 nan 0.000 0.408 17 D N 0.635 121.053 120.400 0.030 0.000 2.123 17 D HA -0.154 4.486 4.640 0.001 0.000 0.196 17 D C 2.355 178.675 176.300 0.033 0.000 0.992 17 D CA 1.592 55.610 54.000 0.029 0.000 0.833 17 D CB -0.242 40.568 40.800 0.017 0.000 0.954 17 D HN 0.261 nan 8.370 nan 0.000 0.455 18 S N 0.697 116.412 115.700 0.025 0.000 2.353 18 S HA -0.145 4.325 4.470 0.001 0.000 0.222 18 S C 1.922 176.537 174.600 0.025 0.000 1.035 18 S CA 0.441 58.650 58.200 0.015 0.000 1.025 18 S CB -0.339 62.864 63.200 0.005 0.000 0.902 18 S HN 0.102 nan 8.310 nan 0.000 0.440 19 L N 1.529 122.785 121.223 0.054 0.000 1.956 19 L HA -0.162 4.179 4.340 0.001 0.000 0.216 19 L C 2.722 179.727 176.870 0.225 0.000 1.073 19 L CA 1.702 56.614 54.840 0.120 0.000 0.762 19 L CB -1.335 40.834 42.059 0.184 0.000 0.889 19 L HN 0.514 nan 8.230 nan 0.000 0.433 20 C N -0.776 118.637 119.300 0.189 0.000 2.375 20 C HA -0.298 4.162 4.460 0.001 0.000 0.274 20 C C 2.935 178.021 174.990 0.160 0.000 1.190 20 C CA 1.310 60.435 59.018 0.179 0.000 1.775 20 C CB -1.352 26.438 27.740 0.084 0.000 2.067 20 C HN 0.632 nan 8.230 nan 0.000 0.463 21 A N -0.579 122.292 122.820 0.086 0.000 2.067 21 A HA 0.338 4.659 4.320 0.001 0.000 0.217 21 A C 2.337 179.933 177.584 0.018 0.000 1.156 21 A CA 1.613 53.679 52.037 0.047 0.000 0.683 21 A CB -0.777 18.235 19.000 0.019 0.000 0.808 21 A HN 0.864 nan 8.150 nan 0.000 0.455 22 A N -1.287 121.522 122.820 -0.019 0.000 2.014 22 A HA 0.126 4.446 4.320 0.001 0.000 0.218 22 A C 1.637 179.095 177.584 -0.211 0.000 1.163 22 A CA 0.918 52.866 52.037 -0.148 0.000 0.652 22 A CB -0.604 18.245 19.000 -0.252 0.000 0.808 22 A HN 0.442 nan 8.150 nan 0.000 0.449 23 F N -0.217 119.724 119.950 -0.016 0.000 2.710 23 F HA 0.021 4.548 4.527 0.001 0.000 0.298 23 F C 1.872 177.660 175.800 -0.020 0.000 1.137 23 F CA 0.997 58.987 58.000 -0.017 0.000 1.444 23 F CB -0.040 38.952 39.000 -0.014 0.000 1.111 23 F HN 0.350 nan 8.300 nan 0.000 0.580 24 D N 0.098 120.565 120.400 0.113 0.000 2.149 24 D HA -0.088 4.553 4.640 0.001 0.000 0.206 24 D C 1.627 177.935 176.300 0.013 0.000 0.967 24 D CA 1.087 55.121 54.000 0.057 0.000 0.848 24 D CB 0.153 40.975 40.800 0.037 0.000 0.998 24 D HN -0.228 nan 8.370 nan 0.000 0.474 25 K N 0.091 120.484 120.400 -0.013 0.000 2.551 25 K HA 0.245 4.565 4.320 0.001 0.000 0.204 25 K C -0.356 176.214 176.600 -0.049 0.000 1.033 25 K CA 0.149 56.415 56.287 -0.035 0.000 1.187 25 K CB 0.543 33.018 32.500 -0.042 0.000 0.900 25 K HN 0.186 nan 8.250 nan 0.000 0.499 32 D N -0.842 119.376 120.400 -0.303 0.000 4.315 32 D HA -0.323 4.317 4.640 0.001 0.000 0.333 32 D C 1.255 177.336 176.300 -0.365 0.000 0.542 32 D CA 2.718 56.515 54.000 -0.339 0.000 1.002 32 D CB -1.371 39.142 40.800 -0.478 0.000 0.440 32 D HN 0.373 nan 8.370 nan 0.000 0.310 33 V N 0.109 119.701 119.914 -0.537 0.000 0.565 33 V HA -0.474 3.646 4.120 0.001 0.000 0.092 33 V C 2.235 178.237 176.094 -0.153 0.000 1.978 33 V CA 3.636 65.740 62.300 -0.326 0.000 3.460 33 V CB -1.754 29.905 31.823 -0.273 0.000 0.751 33 V HN 0.574 nan 8.190 nan 0.000 0.781 34 Q N 0.722 120.433 119.800 -0.149 0.000 2.062 34 Q HA -0.264 4.076 4.340 0.001 0.000 0.209 34 Q C 2.076 178.065 176.000 -0.019 0.000 0.996 34 Q CA 2.916 58.664 55.803 -0.090 0.000 0.859 34 Q CB -0.365 28.324 28.738 -0.083 0.000 0.920 34 Q HN 0.724 nan 8.270 nan 0.000 0.415 35 K N -0.949 119.444 120.400 -0.011 0.000 1.991 35 K HA -0.216 4.105 4.320 0.001 0.000 0.212 35 K C 2.144 178.884 176.600 0.232 0.000 1.049 35 K CA 1.845 58.187 56.287 0.091 0.000 0.932 35 K CB -0.509 32.049 32.500 0.096 0.000 0.717 35 K HN 0.455 nan 8.250 nan 0.000 0.441 36 Y N 0.755 121.087 120.300 0.053 0.000 2.139 36 Y HA -0.288 4.263 4.550 0.001 0.000 0.282 36 Y C 2.228 178.182 175.900 0.090 0.000 1.179 36 Y CA 0.717 58.868 58.100 0.085 0.000 1.161 36 Y CB -0.130 38.405 38.460 0.125 0.000 0.970 36 Y HN 0.313 nan 8.280 nan 0.000 0.511 37 N N -0.070 118.768 118.700 0.229 0.000 2.250 37 N HA -0.125 4.616 4.740 0.001 0.000 0.181 37 N C 1.071 176.679 175.510 0.164 0.000 1.017 37 N CA 1.082 54.246 53.050 0.190 0.000 0.866 37 N CB -0.487 37.974 38.487 -0.043 0.000 0.985 37 N HN 0.345 nan 8.380 nan 0.000 0.429 38 D N 0.839 121.306 120.400 0.111 0.000 2.309 38 D HA -0.020 4.620 4.640 0.001 0.000 0.212 38 D C 1.607 177.974 176.300 0.113 0.000 0.968 38 D CA 0.430 54.488 54.000 0.097 0.000 0.882 38 D CB 0.075 40.916 40.800 0.068 0.000 0.918 38 D HN 0.246 nan 8.370 nan 0.000 0.503 39 A N 0.944 123.841 122.820 0.129 0.000 1.850 39 A HA -0.022 4.298 4.320 0.001 0.000 0.212 39 A C 2.259 179.920 177.584 0.129 0.000 1.208 39 A CA 0.784 52.890 52.037 0.115 0.000 0.609 39 A CB -0.690 18.372 19.000 0.104 0.000 0.860 39 A HN 0.313 nan 8.150 nan 0.000 0.448 40 I N -2.224 118.429 120.570 0.138 0.000 2.361 40 I HA -0.217 3.953 4.170 0.001 0.000 0.251 40 I C 1.777 177.982 176.117 0.147 0.000 1.133 40 I CA 1.946 63.334 61.300 0.145 0.000 1.413 40 I CB -0.665 37.392 38.000 0.095 0.000 1.073 40 I HN 0.139 nan 8.210 nan 0.000 0.424 41 N N 1.699 120.481 118.700 0.136 0.000 2.094 41 N HA -0.199 4.541 4.740 0.001 0.000 0.191 41 N C 2.100 177.714 175.510 0.173 0.000 1.023 41 N CA 2.737 55.866 53.050 0.132 0.000 0.857 41 N CB -0.564 38.021 38.487 0.162 0.000 1.013 41 N HN 0.704 nan 8.380 nan 0.000 0.426 42 T N -0.579 114.070 114.554 0.159 0.000 2.857 42 T HA 0.025 4.375 4.350 0.001 0.000 0.266 42 T C 2.056 176.874 174.700 0.196 0.000 1.048 42 T CA 0.302 62.492 62.100 0.149 0.000 1.139 42 T CB -0.190 68.743 68.868 0.109 0.000 0.874 42 T HN -0.045 nan 8.240 nan 0.000 0.455 43 I N 1.155 121.865 120.570 0.234 0.000 2.145 43 I HA -0.130 4.041 4.170 0.001 0.000 0.244 43 I C 2.190 178.551 176.117 0.406 0.000 1.075 43 I CA 1.429 62.895 61.300 0.276 0.000 1.332 43 I CB -1.410 36.767 38.000 0.296 0.000 1.033 43 I HN 0.275 nan 8.210 nan 0.000 0.410 44 F N 0.579 120.661 119.950 0.220 0.000 2.722 44 F HA -0.119 4.408 4.527 0.000 0.000 0.298 44 F C 2.345 178.215 175.800 0.117 0.000 1.175 44 F CA 0.248 58.447 58.000 0.333 0.000 1.462 44 F CB -0.167 38.991 39.000 0.263 0.000 1.111 44 F HN 0.230 nan 8.300 nan 0.000 0.592 45 Q N -0.555 119.374 119.800 0.214 0.000 2.425 45 Q HA -0.048 4.292 4.340 0.001 0.000 0.204 45 Q C 1.788 177.779 176.000 -0.014 0.000 0.933 45 Q CA 0.166 56.014 55.803 0.074 0.000 0.939 45 Q CB 0.176 28.963 28.738 0.081 0.000 1.044 45 Q HN 0.389 nan 8.270 nan 0.000 0.513 46 L N 0.037 121.261 121.223 0.001 0.000 2.201 46 L HA -0.118 4.222 4.340 0.001 0.000 0.212 46 L C 2.126 178.842 176.870 -0.257 0.000 1.105 46 L CA 1.502 56.315 54.840 -0.044 0.000 0.775 46 L CB -0.285 41.829 42.059 0.092 0.000 0.913 46 L HN 0.077 nan 8.230 nan 0.000 0.440 47 R N -0.623 119.496 120.500 -0.635 0.000 2.323 47 R HA -0.086 4.254 4.340 0.001 0.000 0.198 47 R C 1.229 177.290 176.300 -0.399 0.000 0.988 47 R CA 0.443 56.015 56.100 -0.880 0.000 1.041 47 R CB 0.180 29.483 30.300 -1.663 0.000 0.926 47 R HN 0.307 nan 8.270 nan 0.000 0.476 48 Q N -0.772 118.886 119.800 -0.236 0.000 2.280 48 Q HA 0.091 4.431 4.340 0.001 0.000 0.201 48 Q C 0.396 176.342 176.000 -0.089 0.000 0.890 48 Q CA 0.511 56.239 55.803 -0.125 0.000 0.947 48 Q CB 0.985 29.684 28.738 -0.066 0.000 1.081 48 Q HN 0.070 nan 8.270 nan 0.000 0.502 49 K N -1.351 118.988 120.400 -0.102 0.000 2.402 49 K HA 0.281 4.601 4.320 0.001 0.000 0.204 49 K C -0.300 176.259 176.600 -0.069 0.000 1.056 49 K CA -0.017 56.232 56.287 -0.064 0.000 1.069 49 K CB 1.292 33.765 32.500 -0.045 0.000 0.888 49 K HN -0.128 nan 8.250 nan 0.000 0.546 50 S N 1.272 116.910 115.700 -0.103 0.000 2.508 50 S HA 0.062 4.532 4.470 0.001 0.000 0.284 50 S C 0.845 175.400 174.600 -0.074 0.000 1.192 50 S CA -0.607 57.540 58.200 -0.089 0.000 1.070 50 S CB 1.716 64.842 63.200 -0.123 0.000 1.004 50 S HN 0.263 nan 8.310 nan 0.000 0.493 51 E N 2.200 122.371 120.200 -0.050 0.000 2.171 51 E HA -0.147 4.203 4.350 0.001 0.000 0.197 51 E C -0.544 176.030 176.600 -0.043 0.000 0.997 51 E CA 0.867 57.243 56.400 -0.040 0.000 0.810 51 E CB 0.171 29.854 29.700 -0.029 0.000 0.738 51 E HN 0.491 nan 8.360 nan 0.000 0.467 52 S N -1.585 114.086 115.700 -0.048 0.000 2.317 52 S HA 0.362 4.832 4.470 0.001 0.000 0.208 52 S C -0.078 174.498 174.600 -0.040 0.000 0.849 52 S CA -0.248 57.926 58.200 -0.044 0.000 1.042 52 S CB 1.127 64.313 63.200 -0.025 0.000 1.316 52 S HN 0.486 nan 8.310 nan 0.000 0.386 53 G N 2.358 111.108 108.800 -0.084 0.000 2.219 53 G HA2 -0.360 3.601 3.960 0.001 0.000 0.271 53 G HA3 -0.360 3.601 3.960 0.001 0.000 0.271 53 G C 0.375 175.290 174.900 0.025 0.000 0.991 53 G CA 1.479 46.545 45.100 -0.056 0.000 0.685 53 G HN 0.663 nan 8.290 nan 0.000 0.531 54 K N -0.966 119.427 120.400 -0.012 0.000 2.170 54 K HA 0.409 4.730 4.320 0.001 0.000 0.241 54 K C 0.364 176.996 176.600 0.052 0.000 1.071 54 K CA 0.185 56.484 56.287 0.019 0.000 0.822 54 K CB 0.116 32.613 32.500 -0.006 0.000 1.097 54 K HN 0.212 nan 8.250 nan 0.000 0.522 55 M N 2.078 121.712 119.600 0.055 0.000 2.124 55 M HA 0.302 4.783 4.480 0.001 0.000 0.280 55 M C -2.439 173.884 176.300 0.038 0.000 0.954 55 M CA -1.781 53.567 55.300 0.080 0.000 0.958 55 M CB 1.621 34.265 32.600 0.075 0.000 1.611 55 M HN 0.299 nan 8.290 nan 0.000 0.449 56 P HA -0.164 nan 4.420 nan 0.000 0.235 56 P C 0.395 177.702 177.300 0.011 0.000 1.053 56 P CA 0.913 64.022 63.100 0.016 0.000 0.833 56 P CB -0.088 31.625 31.700 0.021 0.000 0.737 57 A N 4.221 127.045 122.820 0.007 0.000 1.985 57 A HA -0.333 3.988 4.320 0.001 0.000 0.223 57 A C 2.172 179.758 177.584 0.005 0.000 1.189 57 A CA 2.251 54.291 52.037 0.006 0.000 0.658 57 A CB -0.839 18.162 19.000 0.003 0.000 0.820 57 A HN 0.560 nan 8.150 nan 0.000 0.464 58 D N 0.076 120.479 120.400 0.004 0.000 2.120 58 D HA -0.188 4.452 4.640 0.001 0.000 0.191 58 D C 1.914 178.215 176.300 0.001 0.000 0.994 58 D CA 2.055 56.057 54.000 0.003 0.000 0.838 58 D CB -0.316 40.486 40.800 0.003 0.000 0.976 58 D HN 0.468 nan 8.370 nan 0.000 0.447 59 L N 0.353 121.575 121.223 -0.002 0.000 2.012 59 L HA -0.165 4.175 4.340 0.001 0.000 0.210 59 L C 2.850 179.715 176.870 -0.008 0.000 1.073 59 L CA 1.628 56.462 54.840 -0.010 0.000 0.748 59 L CB -1.134 40.913 42.059 -0.019 0.000 0.891 59 L HN 0.030 nan 8.230 nan 0.000 0.431 60 T N -0.266 114.287 114.554 -0.002 0.000 2.836 60 T HA -0.199 4.151 4.350 0.001 0.000 0.268 60 T C 1.234 175.943 174.700 0.016 0.000 1.080 60 T CA 1.427 63.533 62.100 0.011 0.000 1.128 60 T CB -0.518 68.362 68.868 0.018 0.000 0.839 60 T HN 0.355 nan 8.240 nan 0.000 0.507 61 N N 0.372 119.077 118.700 0.008 0.000 2.019 61 N HA -0.007 4.734 4.740 0.001 0.000 0.182 61 N C 1.712 177.227 175.510 0.008 0.000 1.142 61 N CA 1.602 54.656 53.050 0.006 0.000 0.960 61 N CB -0.189 38.300 38.487 0.003 0.000 1.003 61 N HN 0.299 nan 8.380 nan 0.000 0.417 62 S N -2.283 113.419 115.700 0.005 0.000 2.323 62 S HA 0.005 4.476 4.470 0.001 0.000 0.233 62 S C 0.543 175.145 174.600 0.004 0.000 0.898 62 S CA -0.169 58.034 58.200 0.006 0.000 1.321 62 S CB -0.703 62.500 63.200 0.005 0.000 0.921 62 S HN 0.435 nan 8.310 nan 0.000 0.398 63 E N 1.914 122.116 120.200 0.003 0.000 2.347 63 E HA 0.212 4.562 4.350 0.001 0.000 0.196 63 E C 1.092 177.693 176.600 0.001 0.000 1.008 63 E CA 0.886 57.287 56.400 0.002 0.000 0.852 63 E CB -0.261 29.440 29.700 0.002 0.000 0.783 63 E HN 0.573 nan 8.360 nan 0.000 0.505 64 A N 1.568 124.388 122.820 0.000 0.000 2.929 64 A HA 0.228 4.548 4.320 0.001 0.000 0.279 64 A C 1.483 179.064 177.584 -0.005 0.000 1.418 64 A CA -0.316 51.720 52.037 -0.002 0.000 1.035 64 A CB -0.503 18.496 19.000 -0.002 0.000 1.047 64 A HN 0.146 nan 8.150 nan 0.000 0.609 65 L N 0.420 121.641 121.223 -0.003 0.000 1.973 65 L HA -0.108 4.232 4.340 0.001 0.000 0.208 65 L C 2.325 179.190 176.870 -0.008 0.000 1.073 65 L CA 2.577 57.414 54.840 -0.005 0.000 0.746 65 L CB -0.553 41.506 42.059 0.000 0.000 0.891 65 L HN 0.547 nan 8.230 nan 0.000 0.433 66 K N -0.483 119.915 120.400 -0.004 0.000 2.052 66 K HA -0.278 4.042 4.320 0.001 0.000 0.215 66 K C 1.689 178.284 176.600 -0.008 0.000 1.053 66 K CA 2.303 58.587 56.287 -0.004 0.000 0.934 66 K CB -0.466 32.034 32.500 -0.000 0.000 0.717 66 K HN 0.495 nan 8.250 nan 0.000 0.450 67 D N -0.234 120.161 120.400 -0.008 0.000 2.311 67 D HA -0.154 4.486 4.640 0.001 0.000 0.212 67 D C 1.902 178.190 176.300 -0.020 0.000 0.972 67 D CA 1.053 55.047 54.000 -0.009 0.000 0.887 67 D CB 0.026 40.822 40.800 -0.005 0.000 0.915 67 D HN 0.375 nan 8.370 nan 0.000 0.497 68 R N -0.220 120.263 120.500 -0.028 0.000 2.103 68 R HA -0.003 4.338 4.340 0.001 0.000 0.212 68 R C 2.193 178.463 176.300 -0.050 0.000 1.107 68 R CA 0.194 56.265 56.100 -0.049 0.000 1.025 68 R CB -0.113 30.154 30.300 -0.055 0.000 0.929 68 R HN -0.070 nan 8.270 nan 0.000 0.456 69 Q N 1.731 121.512 119.800 -0.032 0.000 2.173 69 Q HA -0.199 4.141 4.340 0.001 0.000 0.208 69 Q C 1.391 177.375 176.000 -0.027 0.000 0.989 69 Q CA 1.888 57.676 55.803 -0.025 0.000 0.872 69 Q CB 0.054 28.785 28.738 -0.011 0.000 0.909 69 Q HN 0.162 nan 8.270 nan 0.000 0.420 70 K N -0.611 119.775 120.400 -0.023 0.000 2.062 70 K HA -0.063 4.258 4.320 0.001 0.000 0.205 70 K C 1.936 178.518 176.600 -0.029 0.000 1.051 70 K CA 1.116 57.392 56.287 -0.019 0.000 0.941 70 K CB -0.071 32.424 32.500 -0.008 0.000 0.719 70 K HN 0.228 nan 8.250 nan 0.000 0.440 71 I N 1.722 122.266 120.570 -0.043 0.000 2.179 71 I HA -0.237 3.933 4.170 0.001 0.000 0.242 71 I C 2.497 178.556 176.117 -0.097 0.000 1.088 71 I CA 1.489 62.752 61.300 -0.061 0.000 1.357 71 I CB -1.095 36.854 38.000 -0.086 0.000 1.051 71 I HN 0.304 nan 8.210 nan 0.000 0.409 72 E N 1.180 121.312 120.200 -0.114 0.000 2.033 72 E HA -0.310 4.041 4.350 0.001 0.000 0.199 72 E C 2.092 178.652 176.600 -0.067 0.000 1.011 72 E CA 2.025 58.351 56.400 -0.123 0.000 0.815 72 E CB -0.004 29.646 29.700 -0.083 0.000 0.755 72 E HN 0.309 nan 8.360 nan 0.000 0.451 73 E N 0.074 120.249 120.200 -0.041 0.000 2.038 73 E HA -0.193 4.157 4.350 0.001 0.000 0.195 73 E C 1.920 178.497 176.600 -0.038 0.000 1.000 73 E CA 1.420 57.804 56.400 -0.027 0.000 0.803 73 E CB -0.265 29.423 29.700 -0.021 0.000 0.750 73 E HN 0.315 nan 8.360 nan 0.000 0.448 74 I N -0.011 120.535 120.570 -0.041 0.000 2.163 74 I HA -0.236 3.934 4.170 0.001 0.000 0.243 74 I C 2.147 178.246 176.117 -0.031 0.000 1.085 74 I CA 0.816 62.088 61.300 -0.045 0.000 1.347 74 I CB -0.574 37.418 38.000 -0.014 0.000 1.044 74 I HN 0.195 nan 8.210 nan 0.000 0.408 75 L N -0.057 121.157 121.223 -0.016 0.000 1.989 75 L HA -0.246 4.094 4.340 0.001 0.000 0.211 75 L C 2.778 179.698 176.870 0.084 0.000 1.071 75 L CA 2.563 57.420 54.840 0.028 0.000 0.749 75 L CB -1.270 40.743 42.059 -0.077 0.000 0.890 75 L HN 0.463 nan 8.230 nan 0.000 0.431 76 T N -1.614 112.978 114.554 0.062 0.000 2.833 76 T HA -0.248 4.103 4.350 0.001 0.000 0.269 76 T C 2.179 176.955 174.700 0.127 0.000 1.054 76 T CA 1.454 63.635 62.100 0.136 0.000 1.135 76 T CB -0.209 68.724 68.868 0.108 0.000 0.869 76 T HN 0.321 nan 8.240 nan 0.000 0.466 77 R N 0.203 120.702 120.500 -0.002 0.000 2.080 77 R HA -0.079 4.261 4.340 0.001 0.000 0.236 77 R C 2.762 178.969 176.300 -0.154 0.000 1.137 77 R CA 1.822 57.841 56.100 -0.134 0.000 0.943 77 R CB -0.912 29.220 30.300 -0.281 0.000 0.846 77 R HN 0.441 nan 8.270 nan 0.000 0.431 78 S N -0.728 114.912 115.700 -0.101 0.000 2.465 78 S HA -0.195 4.275 4.470 0.001 0.000 0.241 78 S C 1.459 176.168 174.600 0.182 0.000 1.000 78 S CA 1.168 59.403 58.200 0.058 0.000 0.964 78 S CB -0.227 63.048 63.200 0.125 0.000 0.763 78 S HN 0.556 nan 8.310 nan 0.000 0.512 79 Y N 0.760 121.089 120.300 0.048 0.000 2.476 79 Y HA 0.266 4.817 4.550 0.000 0.000 0.283 79 Y C 2.123 178.052 175.900 0.049 0.000 1.109 79 Y CA 0.899 59.039 58.100 0.068 0.000 1.246 79 Y CB -0.051 38.464 38.460 0.091 0.000 1.068 79 Y HN 0.282 nan 8.280 nan 0.000 0.552 80 Q N -0.437 119.345 119.800 -0.030 0.000 2.226 80 Q HA -0.049 4.291 4.340 0.001 0.000 0.199 80 Q C 1.273 177.194 176.000 -0.132 0.000 0.945 80 Q CA 1.071 56.804 55.803 -0.116 0.000 0.861 80 Q CB 0.178 28.920 28.738 0.007 0.000 0.953 80 Q HN 0.381 nan 8.270 nan 0.000 0.490 81 D N 0.073 120.405 120.400 -0.114 0.000 2.097 81 D HA -0.064 4.576 4.640 0.001 0.000 0.197 81 D C 0.339 176.344 176.300 -0.491 0.000 0.984 81 D CA 1.340 55.180 54.000 -0.267 0.000 0.826 81 D CB 0.093 40.830 40.800 -0.105 0.000 0.973 81 D HN 0.200 nan 8.370 nan 0.000 0.460 82 H N -1.061 118.087 119.070 0.130 0.000 2.679 82 H HA 0.316 4.873 4.556 0.001 0.000 0.360 82 H C 0.655 175.990 175.328 0.011 0.000 1.105 82 H CA -0.437 55.645 56.048 0.057 0.000 1.196 82 H CB 2.168 31.962 29.762 0.053 0.000 1.636 82 H HN -0.172 nan 8.280 nan 0.000 0.531 83 S N 1.966 117.725 115.700 0.098 0.000 2.442 83 S HA -0.156 4.315 4.470 0.001 0.000 0.236 83 S C 1.316 175.943 174.600 0.046 0.000 1.007 83 S CA 1.434 59.651 58.200 0.028 0.000 0.965 83 S CB 0.188 63.396 63.200 0.013 0.000 0.773 83 S HN 0.573 nan 8.310 nan 0.000 0.504 84 E N 1.793 122.037 120.200 0.073 0.000 2.030 84 E HA -0.033 4.317 4.350 0.001 0.000 0.189 84 E C 2.435 179.092 176.600 0.095 0.000 0.974 84 E CA 1.149 57.580 56.400 0.051 0.000 0.807 84 E CB -0.810 28.892 29.700 0.004 0.000 0.771 84 E HN 0.530 nan 8.360 nan 0.000 0.451 85 S N 1.403 117.191 115.700 0.146 0.000 2.392 85 S HA -0.311 4.159 4.470 0.001 0.000 0.232 85 S C 2.043 176.766 174.600 0.206 0.000 1.041 85 S CA 1.499 59.829 58.200 0.216 0.000 1.026 85 S CB -0.354 63.069 63.200 0.372 0.000 0.845 85 S HN 0.167 nan 8.310 nan 0.000 0.465 86 R N 1.080 121.669 120.500 0.149 0.000 2.075 86 R HA -0.069 4.271 4.340 0.001 0.000 0.230 86 R C 2.226 178.593 176.300 0.112 0.000 1.140 86 R CA 1.933 58.110 56.100 0.128 0.000 0.928 86 R CB -0.868 29.427 30.300 -0.008 0.000 0.834 86 R HN 0.384 nan 8.270 nan 0.000 0.429 87 V N 1.249 121.209 119.914 0.076 0.000 2.370 87 V HA -0.322 3.798 4.120 0.001 0.000 0.252 87 V C 2.482 178.611 176.094 0.058 0.000 1.068 87 V CA 2.308 64.637 62.300 0.049 0.000 1.061 87 V CB -0.957 30.892 31.823 0.042 0.000 0.656 87 V HN 0.538 nan 8.190 nan 0.000 0.455 88 H N -0.642 118.421 119.070 -0.012 0.000 2.357 88 H HA -0.144 4.413 4.556 0.001 0.000 0.301 88 H C 2.273 177.548 175.328 -0.088 0.000 1.082 88 H CA 1.976 57.999 56.048 -0.041 0.000 1.342 88 H CB 0.216 29.965 29.762 -0.022 0.000 1.389 88 H HN 0.397 nan 8.280 nan 0.000 0.511 89 L N 0.433 121.585 121.223 -0.118 0.000 2.056 89 L HA -0.123 4.217 4.340 0.001 0.000 0.207 89 L C 2.760 179.517 176.870 -0.188 0.000 1.078 89 L CA 1.930 56.650 54.840 -0.200 0.000 0.749 89 L CB -0.932 41.143 42.059 0.027 0.000 0.901 89 L HN 0.149 nan 8.230 nan 0.000 0.433 90 S N -0.687 114.942 115.700 -0.119 0.000 2.370 90 S HA -0.285 4.185 4.470 0.001 0.000 0.226 90 S C 2.226 176.685 174.600 -0.235 0.000 1.033 90 S CA 1.869 59.949 58.200 -0.200 0.000 1.011 90 S CB -0.337 62.788 63.200 -0.125 0.000 0.852 90 S HN 0.561 nan 8.310 nan 0.000 0.457 91 K N 0.190 120.488 120.400 -0.171 0.000 2.103 91 K HA 0.103 4.423 4.320 0.001 0.000 0.204 91 K C 2.087 178.597 176.600 -0.150 0.000 1.052 91 K CA 1.086 57.290 56.287 -0.138 0.000 0.945 91 K CB -0.196 32.259 32.500 -0.076 0.000 0.722 91 K HN 0.385 nan 8.250 nan 0.000 0.443 92 L N 0.725 121.786 121.223 -0.270 0.000 2.201 92 L HA -0.118 4.223 4.340 0.001 0.000 0.212 92 L C 2.176 179.094 176.870 0.080 0.000 1.105 92 L CA 0.740 55.420 54.840 -0.267 0.000 0.775 92 L CB -0.191 41.365 42.059 -0.837 0.000 0.913 92 L HN 0.249 nan 8.230 nan 0.000 0.440 93 I N -0.659 119.930 120.570 0.031 0.000 2.333 93 I HA -0.238 3.932 4.170 0.001 0.000 0.246 93 I C 2.248 178.408 176.117 0.071 0.000 1.106 93 I CA 1.051 62.460 61.300 0.182 0.000 1.411 93 I CB -0.107 37.843 38.000 -0.085 0.000 1.082 93 I HN 0.299 nan 8.210 nan 0.000 0.420 94 Q N 0.185 119.927 119.800 -0.097 0.000 2.515 94 Q HA -0.133 4.207 4.340 0.001 0.000 0.212 94 Q C 0.871 176.917 176.000 0.077 0.000 0.970 94 Q CA 0.652 56.445 55.803 -0.017 0.000 0.941 94 Q CB -0.256 28.417 28.738 -0.109 0.000 0.998 94 Q HN 0.381 nan 8.270 nan 0.000 0.518 95 N N 0.599 119.358 118.700 0.098 0.000 2.268 95 N HA -0.024 4.717 4.740 0.001 0.000 0.204 95 N C -0.662 174.955 175.510 0.178 0.000 1.124 95 N CA 0.249 53.371 53.050 0.119 0.000 0.838 95 N CB 0.697 39.242 38.487 0.096 0.000 0.994 95 N HN 0.047 nan 8.380 nan 0.000 0.489 96 D N -0.184 120.346 120.400 0.215 0.000 4.198 96 D HA -0.005 4.636 4.640 0.001 0.000 0.248 96 D C 0.951 177.390 176.300 0.232 0.000 1.482 96 D CA -0.000 54.139 54.000 0.232 0.000 0.784 96 D CB -0.044 40.946 40.800 0.317 0.000 1.375 96 D HN -0.112 nan 8.370 nan 0.000 0.821 97 I N 0.756 121.453 120.570 0.212 0.000 2.141 97 I HA -0.250 3.921 4.170 0.001 0.000 0.243 97 I C -0.705 175.527 176.117 0.192 0.000 1.035 97 I CA 1.978 63.421 61.300 0.239 0.000 1.302 97 I CB -2.212 35.914 38.000 0.210 0.000 1.006 97 I HN 0.262 nan 8.210 nan 0.000 0.413 98 P HA -0.221 nan 4.420 nan 0.000 0.216 98 P C 1.967 179.357 177.300 0.149 0.000 1.153 98 P CA 1.544 64.719 63.100 0.125 0.000 0.858 98 P CB -0.183 31.583 31.700 0.110 0.000 0.789 99 F N 0.533 120.486 119.950 0.006 0.000 2.149 99 F HA 0.064 4.592 4.527 0.001 0.000 0.294 99 F C 2.145 177.906 175.800 -0.065 0.000 1.095 99 F CA 1.083 59.045 58.000 -0.064 0.000 1.276 99 F CB -1.149 37.773 39.000 -0.131 0.000 1.023 99 F HN -0.162 nan 8.300 nan 0.000 0.480 100 A N 0.269 122.953 122.820 -0.228 0.000 2.024 100 A HA -0.151 4.170 4.320 0.001 0.000 0.220 100 A C 2.108 179.682 177.584 -0.016 0.000 1.164 100 A CA 1.727 53.678 52.037 -0.142 0.000 0.643 100 A CB -1.090 18.051 19.000 0.236 0.000 0.806 100 A HN 0.457 nan 8.150 nan 0.000 0.451 101 L N 1.012 122.204 121.223 -0.051 0.000 2.007 101 L HA -0.142 4.198 4.340 0.001 0.000 0.205 101 L C 2.179 178.905 176.870 -0.240 0.000 1.073 101 L CA 2.350 57.083 54.840 -0.179 0.000 0.744 101 L CB -0.819 41.191 42.059 -0.080 0.000 0.898 101 L HN 0.705 nan 8.230 nan 0.000 0.435 102 N N -0.783 117.811 118.700 -0.176 0.000 2.573 102 N HA -0.183 4.557 4.740 0.001 0.000 0.187 102 N C 1.727 177.069 175.510 -0.279 0.000 1.107 102 N CA 0.726 53.657 53.050 -0.198 0.000 0.918 102 N CB -0.248 38.209 38.487 -0.051 0.000 0.966 102 N HN 0.273 nan 8.380 nan 0.000 0.448 103 L N 0.157 121.157 121.223 -0.371 0.000 2.034 103 L HA 0.149 4.490 4.340 0.001 0.000 0.203 103 L C 1.834 178.493 176.870 -0.352 0.000 1.074 103 L CA 1.353 55.933 54.840 -0.434 0.000 0.748 103 L CB -0.809 40.822 42.059 -0.713 0.000 0.905 103 L HN -0.041 nan 8.230 nan 0.000 0.439 104 F N 1.046 120.732 119.950 -0.440 0.000 2.234 104 F HA -0.143 4.384 4.527 0.000 0.000 0.299 104 F C 2.443 177.713 175.800 -0.883 0.000 1.087 104 F CA 1.264 59.000 58.000 -0.439 0.000 1.340 104 F CB -0.364 38.465 39.000 -0.286 0.000 1.031 104 F HN 0.352 nan 8.300 nan 0.000 0.500 105 E N 0.722 120.323 120.200 -0.999 0.000 2.401 105 E HA -0.194 4.157 4.350 0.001 0.000 0.199 105 E C 1.568 177.533 176.600 -1.057 0.000 1.023 105 E CA 1.165 56.622 56.400 -1.572 0.000 0.859 105 E CB -0.589 28.460 29.700 -1.084 0.000 0.780 105 E HN 0.515 nan 8.360 nan 0.000 0.523 106 I N 0.868 121.029 120.570 -0.683 0.000 3.793 106 I HA 0.103 4.273 4.170 0.001 0.000 0.315 106 I C 0.697 176.679 176.117 -0.224 0.000 1.275 106 I CA -0.066 61.006 61.300 -0.379 0.000 1.214 106 I CB 0.029 37.865 38.000 -0.273 0.000 1.018 106 I HN 0.050 nan 8.210 nan 0.000 0.439 107 L N -0.635 120.440 121.223 -0.247 0.000 2.347 107 L HA 0.398 4.739 4.340 0.001 0.000 0.268 107 L C 0.875 177.780 176.870 0.057 0.000 1.019 107 L CA -0.751 54.031 54.840 -0.096 0.000 0.806 107 L CB 1.025 43.003 42.059 -0.135 0.000 1.339 107 L HN 0.056 nan 8.230 nan 0.000 0.463 108 S N -0.484 115.265 115.700 0.082 0.000 2.589 108 S HA 0.202 4.672 4.470 0.001 0.000 0.265 108 S C 1.087 175.798 174.600 0.184 0.000 1.342 108 S CA -0.541 57.730 58.200 0.119 0.000 1.005 108 S CB 0.827 64.073 63.200 0.077 0.000 0.909 108 S HN 0.498 nan 8.310 nan 0.000 0.555 109 R N 1.325 121.893 120.500 0.114 0.000 2.083 109 R HA -0.085 4.255 4.340 0.001 0.000 0.237 109 R C 2.627 178.917 176.300 -0.017 0.000 1.137 109 R CA 1.738 57.836 56.100 -0.004 0.000 0.951 109 R CB -1.731 28.554 30.300 -0.026 0.000 0.851 109 R HN 0.851 nan 8.270 nan 0.000 0.434 110 S N 1.315 117.064 115.700 0.081 0.000 2.421 110 S HA -0.205 4.265 4.470 0.001 0.000 0.239 110 S C 2.010 176.722 174.600 0.187 0.000 1.054 110 S CA 1.876 60.188 58.200 0.188 0.000 1.035 110 S CB -0.475 62.822 63.200 0.162 0.000 0.840 110 S HN 0.549 nan 8.310 nan 0.000 0.475 111 S N 1.526 117.318 115.700 0.153 0.000 2.474 111 S HA 0.092 4.562 4.470 0.001 0.000 0.235 111 S C 1.561 176.313 174.600 0.253 0.000 0.997 111 S CA 0.501 58.838 58.200 0.228 0.000 0.949 111 S CB -0.744 62.612 63.200 0.260 0.000 0.766 111 S HN 0.558 nan 8.310 nan 0.000 0.517 112 I N 1.341 121.914 120.570 0.005 0.000 2.756 112 I HA -0.124 4.046 4.170 0.001 0.000 0.262 112 I C 2.370 178.421 176.117 -0.110 0.000 1.225 112 I CA 0.938 62.155 61.300 -0.139 0.000 1.472 112 I CB -0.461 37.241 38.000 -0.496 0.000 1.094 112 I HN 0.380 nan 8.210 nan 0.000 0.454 113 H N -0.153 118.958 119.070 0.068 0.000 2.436 113 H HA -0.001 4.555 4.556 0.000 0.000 0.294 113 H C 2.445 177.759 175.328 -0.022 0.000 1.048 113 H CA 1.165 57.244 56.048 0.051 0.000 1.353 113 H CB 0.039 29.836 29.762 0.058 0.000 1.414 113 H HN 0.199 nan 8.280 nan 0.000 0.536 114 V N 0.894 120.809 119.914 0.003 0.000 2.379 114 V HA -0.199 3.921 4.120 0.001 0.000 0.245 114 V C 2.283 178.196 176.094 -0.302 0.000 1.044 114 V CA 1.322 63.354 62.300 -0.448 0.000 1.036 114 V CB -0.747 30.954 31.823 -0.203 0.000 0.664 114 V HN 0.161 nan 8.190 nan 0.000 0.453 115 F N 1.019 120.845 119.950 -0.206 0.000 2.051 115 F HA -0.199 4.328 4.527 0.000 0.000 0.296 115 F C 2.294 178.087 175.800 -0.011 0.000 1.122 115 F CA 2.114 59.907 58.000 -0.345 0.000 1.201 115 F CB -0.429 38.342 39.000 -0.382 0.000 0.978 115 F HN -0.050 nan 8.300 nan 0.000 0.472 116 V N 0.400 120.441 119.914 0.212 0.000 2.392 116 V HA -0.272 3.848 4.120 0.001 0.000 0.249 116 V C 2.646 178.873 176.094 0.222 0.000 1.059 116 V CA 1.886 64.350 62.300 0.273 0.000 1.051 116 V CB -1.820 30.148 31.823 0.242 0.000 0.658 116 V HN 0.572 nan 8.190 nan 0.000 0.455 117 G N -1.979 106.890 108.800 0.115 0.000 2.653 117 G HA2 -0.214 3.747 3.960 0.001 0.000 0.212 117 G HA3 -0.214 3.747 3.960 0.001 0.000 0.212 117 G C 1.241 176.256 174.900 0.191 0.000 1.138 117 G CA 1.020 46.237 45.100 0.194 0.000 0.782 117 G HN 0.584 nan 8.290 nan 0.000 0.535 118 C N -0.546 118.730 119.300 -0.040 0.000 2.906 118 C HA 0.437 4.898 4.460 0.001 0.000 0.274 118 C C 0.020 174.790 174.990 -0.367 0.000 1.257 118 C CA -0.881 58.019 59.018 -0.198 0.000 1.695 118 C CB -0.934 26.555 27.740 -0.418 0.000 1.958 118 C HN 0.262 nan 8.230 nan 0.000 0.619 119 F N 1.606 121.540 119.950 -0.026 0.000 2.308 119 F HA 0.233 4.761 4.527 0.001 0.000 0.370 119 F C 1.436 177.352 175.800 0.192 0.000 1.100 119 F CA -0.282 57.739 58.000 0.037 0.000 1.108 119 F CB 0.891 39.899 39.000 0.013 0.000 1.293 119 F HN 0.068 nan 8.300 nan 0.000 0.478 120 S N 1.142 116.990 115.700 0.245 0.000 2.425 120 S HA -0.027 4.444 4.470 0.001 0.000 0.225 120 S C 0.392 175.170 174.600 0.296 0.000 1.024 120 S CA 0.241 58.573 58.200 0.221 0.000 0.951 120 S CB -0.582 62.684 63.200 0.111 0.000 0.796 120 S HN 0.680 nan 8.310 nan 0.000 0.498 121 N N 0.457 119.345 118.700 0.315 0.000 2.381 121 N HA 0.399 5.139 4.740 0.001 0.000 0.294 121 N C 0.114 175.763 175.510 0.232 0.000 1.216 121 N CA -1.123 52.111 53.050 0.308 0.000 0.803 121 N CB 1.187 39.764 38.487 0.151 0.000 1.372 121 N HN -0.117 nan 8.380 nan 0.000 0.500 122 K N -0.139 120.347 120.400 0.143 0.000 2.032 122 K HA -0.193 4.128 4.320 0.001 0.000 0.209 122 K C 0.117 176.562 176.600 -0.257 0.000 1.048 122 K CA 2.061 58.138 56.287 -0.350 0.000 0.927 122 K CB -0.323 32.111 32.500 -0.109 0.000 0.712 122 K HN 0.620 nan 8.250 nan 0.000 0.441 123 D N 0.196 120.561 120.400 -0.059 0.000 2.221 123 D HA -0.143 4.497 4.640 0.001 0.000 0.204 123 D C 1.601 177.900 176.300 -0.002 0.000 0.982 123 D CA 1.204 55.197 54.000 -0.011 0.000 0.857 123 D CB -0.081 40.733 40.800 0.022 0.000 0.934 123 D HN 0.351 nan 8.370 nan 0.000 0.475 124 A N 0.343 123.177 122.820 0.024 0.000 2.067 124 A HA -0.110 4.211 4.320 0.001 0.000 0.219 124 A C 2.198 179.858 177.584 0.127 0.000 1.158 124 A CA 1.810 53.923 52.037 0.126 0.000 0.661 124 A CB -0.838 18.288 19.000 0.210 0.000 0.801 124 A HN 0.378 nan 8.150 nan 0.000 0.452 125 T N -2.859 111.624 114.554 -0.117 0.000 3.100 125 T HA 0.108 4.458 4.350 0.001 0.000 0.253 125 T C 1.586 176.163 174.700 -0.206 0.000 1.118 125 T CA 0.498 62.383 62.100 -0.358 0.000 1.058 125 T CB -0.279 68.310 68.868 -0.465 0.000 0.953 125 T HN 0.189 nan 8.240 nan 0.000 0.515 126 I N 2.375 122.893 120.570 -0.086 0.000 2.252 126 I HA -0.015 4.155 4.170 0.001 0.000 0.245 126 I C 3.071 179.140 176.117 -0.079 0.000 1.102 126 I CA 1.217 62.478 61.300 -0.066 0.000 1.385 126 I CB -1.730 36.256 38.000 -0.022 0.000 1.064 126 I HN 0.391 nan 8.210 nan 0.000 0.414 127 A N 0.850 123.649 122.820 -0.036 0.000 1.940 127 A HA -0.197 4.124 4.320 0.001 0.000 0.219 127 A C 2.455 180.020 177.584 -0.032 0.000 1.176 127 A CA 1.373 53.403 52.037 -0.011 0.000 0.631 127 A CB -0.786 18.245 19.000 0.052 0.000 0.814 127 A HN 0.426 nan 8.150 nan 0.000 0.446 128 L N -0.552 120.623 121.223 -0.081 0.000 1.973 128 L HA -0.144 4.197 4.340 0.001 0.000 0.208 128 L C 2.540 179.339 176.870 -0.119 0.000 1.073 128 L CA 1.587 56.359 54.840 -0.114 0.000 0.746 128 L CB -0.429 41.387 42.059 -0.404 0.000 0.891 128 L HN 0.427 nan 8.230 nan 0.000 0.433 129 L N 0.100 121.227 121.223 -0.161 0.000 2.034 129 L HA -0.356 3.984 4.340 0.001 0.000 0.217 129 L C 2.526 179.218 176.870 -0.297 0.000 1.077 129 L CA 1.759 56.506 54.840 -0.154 0.000 0.769 129 L CB -0.993 40.978 42.059 -0.146 0.000 0.890 129 L HN 0.505 nan 8.230 nan 0.000 0.435 130 N N -0.168 118.372 118.700 -0.267 0.000 2.036 130 N HA -0.242 4.498 4.740 0.001 0.000 0.195 130 N C 1.851 177.226 175.510 -0.225 0.000 1.037 130 N CA 1.514 54.389 53.050 -0.292 0.000 0.855 130 N CB -0.042 38.343 38.487 -0.171 0.000 1.033 130 N HN 0.300 nan 8.380 nan 0.000 0.423 131 E N 0.909 121.039 120.200 -0.117 0.000 2.150 131 E HA -0.077 4.274 4.350 0.001 0.000 0.193 131 E C 2.216 178.781 176.600 -0.057 0.000 0.985 131 E CA 0.325 56.694 56.400 -0.050 0.000 0.814 131 E CB -0.089 29.617 29.700 0.010 0.000 0.752 131 E HN 0.436 nan 8.360 nan 0.000 0.466 132 L N 0.527 121.700 121.223 -0.083 0.000 2.109 132 L HA -0.135 4.205 4.340 0.001 0.000 0.207 132 L C 2.797 179.621 176.870 -0.076 0.000 1.086 132 L CA 0.858 55.674 54.840 -0.040 0.000 0.760 132 L CB -0.413 41.651 42.059 0.007 0.000 0.910 132 L HN 0.135 nan 8.230 nan 0.000 0.437 133 Q N 0.735 120.356 119.800 -0.299 0.000 2.124 133 Q HA -0.208 4.133 4.340 0.001 0.000 0.202 133 Q C 2.197 178.072 176.000 -0.208 0.000 0.977 133 Q CA 1.620 57.156 55.803 -0.445 0.000 0.850 133 Q CB 0.055 28.157 28.738 -1.059 0.000 0.901 133 Q HN 0.570 nan 8.270 nan 0.000 0.429 134 I N 0.305 120.781 120.570 -0.156 0.000 2.235 134 I HA -0.233 3.937 4.170 0.001 0.000 0.241 134 I C 2.304 178.434 176.117 0.021 0.000 1.085 134 I CA 0.569 61.830 61.300 -0.066 0.000 1.378 134 I CB -0.305 37.731 38.000 0.059 0.000 1.076 134 I HN 0.091 nan 8.210 nan 0.000 0.415 135 R N 0.943 121.471 120.500 0.047 0.000 2.139 135 R HA -0.136 4.204 4.340 0.001 0.000 0.243 135 R C 2.036 178.373 176.300 0.063 0.000 1.145 135 R CA 1.481 57.626 56.100 0.076 0.000 0.976 135 R CB -0.976 29.358 30.300 0.056 0.000 0.866 135 R HN 0.449 nan 8.270 nan 0.000 0.449 136 I N -0.743 119.852 120.570 0.041 0.000 2.400 136 I HA -0.194 3.977 4.170 0.001 0.000 0.248 136 I C 2.496 178.636 176.117 0.038 0.000 1.109 136 I CA 0.999 62.330 61.300 0.051 0.000 1.425 136 I CB -0.387 37.661 38.000 0.079 0.000 1.094 136 I HN 0.131 nan 8.210 nan 0.000 0.425 137 H N 1.008 119.984 119.070 -0.155 0.000 2.321 137 H HA -0.214 4.343 4.556 0.001 0.000 0.300 137 H C 1.574 176.754 175.328 -0.248 0.000 1.087 137 H CA 1.900 57.787 56.048 -0.268 0.000 1.319 137 H CB -0.317 29.150 29.762 -0.490 0.000 1.379 137 H HN 0.270 nan 8.280 nan 0.000 0.501 138 Y N 0.091 120.265 120.300 -0.210 0.000 2.578 138 Y HA 0.176 4.726 4.550 0.001 0.000 0.297 138 Y C 2.162 177.986 175.900 -0.127 0.000 1.176 138 Y CA 0.490 58.437 58.100 -0.255 0.000 1.315 138 Y CB -0.519 37.850 38.460 -0.151 0.000 1.031 138 Y HN 0.449 nan 8.280 nan 0.000 0.524 139 G N 0.379 109.198 108.800 0.031 0.000 2.352 139 G HA2 -0.420 3.540 3.960 0.001 0.000 0.295 139 G HA3 -0.420 3.540 3.960 0.001 0.000 0.295 139 G C 1.213 176.137 174.900 0.042 0.000 0.991 139 G CA 1.063 46.183 45.100 0.033 0.000 0.796 139 G HN 0.490 nan 8.290 nan 0.000 0.511 140 E N -0.306 119.936 120.200 0.070 0.000 2.014 140 E HA -0.044 4.306 4.350 0.001 0.000 0.190 140 E C 1.143 177.766 176.600 0.038 0.000 0.980 140 E CA 0.303 56.731 56.400 0.047 0.000 0.807 140 E CB -0.036 29.695 29.700 0.052 0.000 0.770 140 E HN 0.439 nan 8.360 nan 0.000 0.451 141 D N 0.344 120.780 120.400 0.060 0.000 2.533 141 D HA -0.092 4.549 4.640 0.001 0.000 0.236 141 D C -0.247 176.078 176.300 0.043 0.000 1.137 141 D CA 0.731 54.775 54.000 0.074 0.000 0.867 141 D CB 1.118 41.975 40.800 0.094 0.000 1.170 141 D HN 0.003 nan 8.370 nan 0.000 0.474 142 T N 3.055 117.603 114.554 -0.011 0.000 3.260 142 T HA 0.138 4.488 4.350 0.001 0.000 0.254 142 T C -0.036 174.465 174.700 -0.332 0.000 0.951 142 T CA -0.259 61.748 62.100 -0.156 0.000 0.918 142 T CB -0.462 68.271 68.868 -0.225 0.000 1.098 142 T HN 0.396 nan 8.240 nan 0.000 0.563 143 H N -0.818 118.256 119.070 0.006 0.000 2.649 143 H HA 0.371 4.928 4.556 0.000 0.000 0.258 143 H C 1.764 177.129 175.328 0.061 0.000 1.165 143 H CA -0.361 55.701 56.048 0.023 0.000 1.006 143 H CB 0.355 30.108 29.762 -0.015 0.000 1.743 143 H HN 0.126 nan 8.280 nan 0.000 0.609 144 V N 0.247 120.228 119.914 0.110 0.000 2.295 144 V HA -0.463 3.657 4.120 0.001 0.000 0.261 144 V C 2.178 178.327 176.094 0.091 0.000 1.097 144 V CA 2.747 65.098 62.300 0.085 0.000 1.100 144 V CB -0.874 30.974 31.823 0.042 0.000 0.737 144 V HN 0.565 nan 8.190 nan 0.000 0.458 145 T N -1.999 112.608 114.554 0.088 0.000 2.788 145 T HA -0.227 4.123 4.350 0.001 0.000 0.268 145 T C 1.588 176.332 174.700 0.074 0.000 1.044 145 T CA 2.057 64.196 62.100 0.066 0.000 1.139 145 T CB -0.340 68.560 68.868 0.054 0.000 0.867 145 T HN 0.652 nan 8.240 nan 0.000 0.454 146 Y N 1.429 121.745 120.300 0.026 0.000 2.163 146 Y HA -0.037 4.514 4.550 0.001 0.000 0.288 146 Y C 2.061 177.941 175.900 -0.033 0.000 1.136 146 Y CA 1.114 59.209 58.100 -0.009 0.000 1.147 146 Y CB -0.328 38.123 38.460 -0.015 0.000 0.987 146 Y HN 0.084 nan 8.280 nan 0.000 0.509 147 L N -0.316 121.043 121.223 0.226 0.000 2.127 147 L HA -0.262 4.078 4.340 0.001 0.000 0.211 147 L C 1.999 178.900 176.870 0.052 0.000 1.089 147 L CA 1.236 56.151 54.840 0.126 0.000 0.757 147 L CB -0.401 41.725 42.059 0.112 0.000 0.899 147 L HN 0.355 nan 8.230 nan 0.000 0.434 148 L N -2.401 118.842 121.223 0.033 0.000 2.463 148 L HA 0.030 4.371 4.340 0.001 0.000 0.219 148 L C 2.405 179.264 176.870 -0.018 0.000 1.088 148 L CA 0.115 54.965 54.840 0.017 0.000 0.849 148 L CB -0.029 42.043 42.059 0.021 0.000 1.012 148 L HN 0.037 nan 8.230 nan 0.000 0.468 149 S N 0.107 115.766 115.700 -0.068 0.000 2.428 149 S HA 0.024 4.494 4.470 0.001 0.000 0.230 149 S C 1.949 176.478 174.600 -0.119 0.000 1.014 149 S CA 0.732 58.870 58.200 -0.104 0.000 0.957 149 S CB 0.007 63.106 63.200 -0.169 0.000 0.784 149 S HN 0.252 nan 8.310 nan 0.000 0.499 150 I N 1.389 121.877 120.570 -0.137 0.000 2.142 150 I HA -0.178 3.993 4.170 0.001 0.000 0.240 150 I C 2.026 178.153 176.117 0.017 0.000 1.078 150 I CA 0.956 62.209 61.300 -0.078 0.000 1.343 150 I CB -0.342 37.622 38.000 -0.059 0.000 1.046 150 I HN 0.261 nan 8.210 nan 0.000 0.405 151 I N 0.489 121.074 120.570 0.025 0.000 2.145 151 I HA -0.325 3.845 4.170 0.001 0.000 0.244 151 I C 2.637 178.795 176.117 0.069 0.000 1.075 151 I CA 1.733 63.064 61.300 0.051 0.000 1.332 151 I CB -1.094 36.929 38.000 0.039 0.000 1.033 151 I HN 0.281 nan 8.210 nan 0.000 0.410 152 L N 1.024 122.273 121.223 0.043 0.000 2.042 152 L HA -0.232 4.108 4.340 0.001 0.000 0.210 152 L C 2.624 179.541 176.870 0.079 0.000 1.076 152 L CA 1.860 56.731 54.840 0.052 0.000 0.749 152 L CB -0.747 41.326 42.059 0.023 0.000 0.893 152 L HN 0.295 nan 8.230 nan 0.000 0.432 153 Q N -0.664 119.177 119.800 0.068 0.000 2.167 153 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 153 Q C 2.315 178.421 176.000 0.176 0.000 0.970 153 Q CA 1.345 57.206 55.803 0.096 0.000 0.855 153 Q CB -0.298 28.474 28.738 0.057 0.000 0.911 153 Q HN 0.547 nan 8.270 nan 0.000 0.438 154 L N 0.168 121.530 121.223 0.231 0.000 2.291 154 L HA -0.088 4.253 4.340 0.001 0.000 0.214 154 L C 2.119 179.312 176.870 0.538 0.000 1.120 154 L CA 0.537 55.626 54.840 0.416 0.000 0.799 154 L CB -0.214 42.053 42.059 0.345 0.000 0.925 154 L HN 0.168 nan 8.230 nan 0.000 0.446 155 L N -0.933 120.502 121.223 0.352 0.000 2.307 155 L HA -0.012 4.328 4.340 0.001 0.000 0.211 155 L C 1.458 178.446 176.870 0.198 0.000 1.099 155 L CA 0.367 55.414 54.840 0.344 0.000 0.816 155 L CB -0.239 41.961 42.059 0.236 0.000 0.952 155 L HN 0.208 nan 8.230 nan 0.000 0.455 156 N N 0.143 118.922 118.700 0.131 0.000 2.449 156 N HA -0.079 4.661 4.740 0.001 0.000 0.191 156 N C 1.226 176.736 175.510 -0.000 0.000 1.161 156 N CA 0.597 53.679 53.050 0.053 0.000 0.863 156 N CB 0.158 38.674 38.487 0.049 0.000 0.980 156 N HN 0.269 nan 8.380 nan 0.000 0.458 157 K N -1.009 119.386 120.400 -0.010 0.000 2.517 157 K HA 0.197 4.517 4.320 0.001 0.000 0.210 157 K C -0.833 175.383 176.600 -0.640 0.000 1.166 157 K CA 0.010 56.128 56.287 -0.281 0.000 1.030 157 K CB 0.520 32.831 32.500 -0.315 0.000 0.974 157 K HN -0.111 nan 8.250 nan 0.000 0.585 158 F N 0.483 120.361 119.950 -0.120 0.000 2.692 158 F HA 0.420 4.948 4.527 0.001 0.000 0.320 158 F C -0.440 175.219 175.800 -0.236 0.000 1.123 158 F CA -0.941 56.885 58.000 -0.290 0.000 0.961 158 F CB 1.669 40.240 39.000 -0.714 0.000 1.383 158 F HN -0.409 nan 8.300 nan 0.000 0.483 159 K N 1.620 122.020 120.400 -0.000 0.000 2.526 159 K HA 0.296 4.617 4.320 0.001 0.000 0.214 159 K C -1.353 175.315 176.600 0.113 0.000 1.088 159 K CA -0.395 55.926 56.287 0.057 0.000 1.058 159 K CB 0.256 32.785 32.500 0.048 0.000 1.653 159 K HN 0.407 nan 8.250 nan 0.000 0.521 160 Y N 0.475 120.941 120.300 0.277 0.000 2.511 160 Y HA -0.115 4.435 4.550 0.000 0.000 0.347 160 Y C 1.626 177.699 175.900 0.289 0.000 1.257 160 Y CA 0.252 58.494 58.100 0.236 0.000 1.469 160 Y CB 0.285 38.873 38.460 0.213 0.000 1.353 160 Y HN 0.374 nan 8.280 nan 0.000 0.617 161 N N 0.765 119.682 118.700 0.361 0.000 2.370 161 N HA -0.068 4.672 4.740 0.001 0.000 0.198 161 N C 0.810 176.410 175.510 0.150 0.000 1.156 161 N CA 0.403 53.605 53.050 0.253 0.000 0.839 161 N CB -0.441 38.139 38.487 0.155 0.000 0.989 161 N HN 0.646 nan 8.380 nan 0.000 0.468 162 F N 0.414 120.201 119.950 -0.272 0.000 2.571 162 F HA -0.486 4.042 4.527 0.002 0.000 0.671 162 F C 1.117 176.680 175.800 -0.395 0.000 0.488 162 F CA 2.287 59.785 58.000 -0.838 0.000 0.731 162 F CB -1.183 37.007 39.000 -1.350 0.000 1.619 162 F HN 0.150 nan 8.300 nan 0.000 0.262 163 K N 0.447 120.657 120.400 -0.315 0.000 2.442 163 K HA -0.116 4.204 4.320 0.001 0.000 0.198 163 K C 1.225 177.684 176.600 -0.234 0.000 1.044 163 K CA 1.539 57.638 56.287 -0.314 0.000 0.948 163 K CB -0.347 32.087 32.500 -0.110 0.000 0.762 163 K HN 0.630 nan 8.250 nan 0.000 0.472 164 E N -0.159 119.937 120.200 -0.174 0.000 2.472 164 E HA 0.011 4.361 4.350 0.001 0.000 0.196 164 E C 1.098 177.612 176.600 -0.142 0.000 1.033 164 E CA 0.166 56.508 56.400 -0.096 0.000 0.886 164 E CB 0.710 30.422 29.700 0.019 0.000 0.944 164 E HN 0.011 nan 8.360 nan 0.000 0.492 165 V N 0.089 119.818 119.914 -0.308 0.000 3.431 165 V HA 0.020 4.141 4.120 0.001 0.000 0.255 165 V C 1.906 177.578 176.094 -0.703 0.000 1.403 165 V CA -0.066 61.959 62.300 -0.458 0.000 1.101 165 V CB 0.234 31.835 31.823 -0.371 0.000 0.891 165 V HN 0.091 nan 8.190 nan 0.000 0.446 166 R N 1.056 121.071 120.500 -0.808 0.000 2.246 166 R HA -0.285 4.056 4.340 0.001 0.000 0.266 166 R C 2.133 178.137 176.300 -0.493 0.000 1.163 166 R CA 2.529 58.121 56.100 -0.846 0.000 0.992 166 R CB -0.636 29.116 30.300 -0.912 0.000 0.895 166 R HN 0.701 nan 8.270 nan 0.000 0.465 167 F N -0.548 119.205 119.950 -0.329 0.000 2.549 167 F HA -0.109 4.419 4.527 0.002 0.000 0.295 167 F C 1.360 177.039 175.800 -0.201 0.000 1.124 167 F CA 0.722 58.565 58.000 -0.262 0.000 1.482 167 F CB -0.461 38.395 39.000 -0.239 0.000 1.108 167 F HN -0.031 nan 8.300 nan 0.000 0.602 168 L N -0.498 120.291 121.223 -0.723 0.000 2.375 168 L HA -0.031 4.309 4.340 0.001 0.000 0.215 168 L C 2.326 179.161 176.870 -0.060 0.000 1.108 168 L CA 0.089 54.688 54.840 -0.402 0.000 0.830 168 L CB -0.414 41.412 42.059 -0.388 0.000 0.959 168 L HN 0.129 nan 8.230 nan 0.000 0.457 169 V N 0.300 120.142 119.914 -0.120 0.000 2.244 169 V HA -0.291 3.829 4.120 0.001 0.000 0.244 169 V C 2.546 178.485 176.094 -0.259 0.000 1.042 169 V CA 1.887 64.155 62.300 -0.053 0.000 1.006 169 V CB -0.509 31.205 31.823 -0.182 0.000 0.641 169 V HN 0.425 nan 8.190 nan 0.000 0.446 170 K N 0.072 120.142 120.400 -0.550 0.000 1.977 170 K HA -0.256 4.064 4.320 0.001 0.000 0.218 170 K C 2.231 178.518 176.600 -0.523 0.000 1.051 170 K CA 2.046 57.718 56.287 -1.025 0.000 0.953 170 K CB -0.294 31.787 32.500 -0.698 0.000 0.727 170 K HN 0.341 nan 8.250 nan 0.000 0.445 171 E N 0.977 121.035 120.200 -0.237 0.000 2.114 171 E HA -0.222 4.129 4.350 0.001 0.000 0.199 171 E C 2.141 178.730 176.600 -0.018 0.000 1.008 171 E CA 1.308 57.666 56.400 -0.069 0.000 0.810 171 E CB -0.352 29.376 29.700 0.047 0.000 0.739 171 E HN 0.428 nan 8.360 nan 0.000 0.456 172 L N -0.013 121.207 121.223 -0.005 0.000 2.023 172 L HA -0.081 4.260 4.340 0.001 0.000 0.205 172 L C 2.652 179.517 176.870 -0.007 0.000 1.073 172 L CA 0.709 55.546 54.840 -0.006 0.000 0.745 172 L CB -0.483 41.562 42.059 -0.022 0.000 0.900 172 L HN 0.070 nan 8.230 nan 0.000 0.435 173 I N 0.237 120.839 120.570 0.052 0.000 2.113 173 I HA -0.393 3.778 4.170 0.001 0.000 0.242 173 I C 2.577 178.787 176.117 0.155 0.000 1.064 173 I CA 1.631 63.015 61.300 0.141 0.000 1.320 173 I CB -0.376 37.843 38.000 0.365 0.000 1.028 173 I HN 0.235 nan 8.210 nan 0.000 0.406 174 L N 0.007 121.336 121.223 0.176 0.000 2.103 174 L HA -0.270 4.070 4.340 0.001 0.000 0.215 174 L C 2.051 178.989 176.870 0.113 0.000 1.080 174 L CA 1.577 56.528 54.840 0.185 0.000 0.764 174 L CB -0.512 41.645 42.059 0.163 0.000 0.890 174 L HN 0.272 nan 8.230 nan 0.000 0.435 175 R N -0.914 119.627 120.500 0.069 0.000 2.466 175 R HA 0.072 4.412 4.340 0.001 0.000 0.279 175 R C 1.668 177.979 176.300 0.020 0.000 0.976 175 R CA -0.286 55.839 56.100 0.043 0.000 1.081 175 R CB 0.115 30.434 30.300 0.031 0.000 1.215 175 R HN 0.160 nan 8.270 nan 0.000 0.546 176 I N 1.467 122.050 120.570 0.022 0.000 2.236 176 I HA -0.349 3.821 4.170 0.001 0.000 0.249 176 I C 1.811 177.927 176.117 -0.001 0.000 1.102 176 I CA 1.785 63.083 61.300 -0.002 0.000 1.365 176 I CB -0.082 37.926 38.000 0.013 0.000 1.051 176 I HN 0.152 nan 8.210 nan 0.000 0.420 177 S N -0.335 115.374 115.700 0.015 0.000 2.488 177 S HA -0.156 4.314 4.470 0.001 0.000 0.246 177 S C 0.740 175.341 174.600 0.003 0.000 0.992 177 S CA 0.685 58.891 58.200 0.010 0.000 0.963 177 S CB -0.970 62.244 63.200 0.022 0.000 0.754 177 S HN 0.626 nan 8.310 nan 0.000 0.519 178 E N 1.480 121.680 120.200 0.000 0.000 2.081 178 E HA 0.222 4.572 4.350 0.001 0.000 0.281 178 E C -0.712 175.881 176.600 -0.011 0.000 0.986 178 E CA -0.368 56.029 56.400 -0.004 0.000 0.796 178 E CB 0.950 30.650 29.700 -0.001 0.000 1.085 178 E HN 0.152 nan 8.360 nan 0.000 0.398 179 D N 2.192 122.586 120.400 -0.010 0.000 2.389 179 D HA -0.173 4.467 4.640 0.001 0.000 0.221 179 D C 1.371 177.663 176.300 -0.013 0.000 0.974 179 D CA 1.068 55.060 54.000 -0.012 0.000 0.923 179 D CB 0.224 41.019 40.800 -0.009 0.000 0.892 179 D HN 0.545 nan 8.370 nan 0.000 0.518 180 E N -0.366 119.827 120.200 -0.012 0.000 2.075 180 E HA -0.068 4.283 4.350 0.001 0.000 0.190 180 E C 1.815 178.407 176.600 -0.015 0.000 0.969 180 E CA 0.346 56.740 56.400 -0.009 0.000 0.815 180 E CB 0.350 30.047 29.700 -0.004 0.000 0.776 180 E HN 0.035 nan 8.360 nan 0.000 0.457 181 V N 2.149 122.053 119.914 -0.018 0.000 2.427 181 V HA -0.220 3.900 4.120 0.001 0.000 0.248 181 V C 2.479 178.536 176.094 -0.061 0.000 1.051 181 V CA 1.945 64.228 62.300 -0.030 0.000 1.048 181 V CB -0.629 31.181 31.823 -0.022 0.000 0.666 181 V HN 0.275 nan 8.190 nan 0.000 0.456 182 K N 1.661 122.029 120.400 -0.054 0.000 2.015 182 K HA -0.298 4.022 4.320 0.001 0.000 0.216 182 K C 2.430 178.983 176.600 -0.078 0.000 1.052 182 K CA 2.529 58.773 56.287 -0.071 0.000 0.937 182 K CB -0.434 32.040 32.500 -0.043 0.000 0.719 182 K HN 0.587 nan 8.250 nan 0.000 0.446 183 S N 0.155 115.826 115.700 -0.048 0.000 2.368 183 S HA -0.168 4.303 4.470 0.001 0.000 0.224 183 S C 1.999 176.573 174.600 -0.043 0.000 1.029 183 S CA 1.215 59.393 58.200 -0.038 0.000 0.988 183 S CB -0.321 62.867 63.200 -0.019 0.000 0.838 183 S HN 0.366 nan 8.310 nan 0.000 0.462 184 M N 1.232 120.807 119.600 -0.041 0.000 2.539 184 M HA 0.227 4.707 4.480 0.001 0.000 0.261 184 M C 1.933 178.198 176.300 -0.058 0.000 1.069 184 M CA 1.039 56.319 55.300 -0.033 0.000 1.081 184 M CB -0.754 31.834 32.600 -0.020 0.000 1.412 184 M HN 0.609 nan 8.290 nan 0.000 0.482 185 M N -1.393 118.129 119.600 -0.129 0.000 2.248 185 M HA -0.117 4.364 4.480 0.001 0.000 0.265 185 M C 1.305 177.461 176.300 -0.240 0.000 1.079 185 M CA 1.189 56.317 55.300 -0.286 0.000 1.150 185 M CB -0.077 32.234 32.600 -0.481 0.000 1.366 185 M HN 0.169 nan 8.290 nan 0.000 0.433 186 L N 1.168 122.310 121.223 -0.134 0.000 2.129 186 L HA -0.230 4.110 4.340 0.001 0.000 0.212 186 L C 2.300 179.203 176.870 0.055 0.000 1.087 186 L CA 1.766 56.596 54.840 -0.017 0.000 0.757 186 L CB -1.422 40.635 42.059 -0.003 0.000 0.896 186 L HN 0.468 nan 8.230 nan 0.000 0.434 187 I N -0.444 120.144 120.570 0.030 0.000 2.130 187 I HA -0.295 3.876 4.170 0.001 0.000 0.234 187 I C 2.425 178.587 176.117 0.076 0.000 1.067 187 I CA 1.116 62.441 61.300 0.042 0.000 1.339 187 I CB -0.276 37.737 38.000 0.022 0.000 1.073 187 I HN 0.074 nan 8.210 nan 0.000 0.405 188 I N 0.281 120.910 120.570 0.099 0.000 2.399 188 I HA -0.315 3.856 4.170 0.001 0.000 0.254 188 I C 2.212 178.469 176.117 0.234 0.000 1.146 188 I CA 1.463 62.851 61.300 0.146 0.000 1.412 188 I CB -0.329 37.766 38.000 0.159 0.000 1.076 188 I HN 0.165 nan 8.210 nan 0.000 0.432 189 F N 0.688 120.612 119.950 -0.043 0.000 2.416 189 F HA 0.078 4.604 4.527 -0.001 0.000 0.296 189 F C 2.491 178.137 175.800 -0.255 0.000 1.099 189 F CA 0.556 58.497 58.000 -0.098 0.000 1.427 189 F CB -0.845 38.249 39.000 0.158 0.000 1.079 189 F HN -0.034 nan 8.300 nan 0.000 0.536 190 A N -0.120 122.729 122.820 0.048 0.000 1.898 190 A HA -0.120 4.200 4.320 0.001 0.000 0.216 190 A C 2.231 179.736 177.584 -0.133 0.000 1.181 190 A CA 1.463 53.479 52.037 -0.035 0.000 0.620 190 A CB -0.439 18.565 19.000 0.007 0.000 0.819 190 A HN 0.199 nan 8.150 nan 0.000 0.442 191 E N 0.315 120.451 120.200 -0.105 0.000 2.047 191 E HA -0.127 4.223 4.350 0.001 0.000 0.191 191 E C 2.109 178.580 176.600 -0.215 0.000 0.987 191 E CA 0.947 57.275 56.400 -0.121 0.000 0.799 191 E CB -0.577 29.100 29.700 -0.038 0.000 0.752 191 E HN 0.654 nan 8.360 nan 0.000 0.449 192 L N 0.971 122.024 121.223 -0.283 0.000 2.079 192 L HA -0.257 4.083 4.340 0.001 0.000 0.210 192 L C 2.740 179.257 176.870 -0.589 0.000 1.081 192 L CA 1.237 55.886 54.840 -0.319 0.000 0.752 192 L CB -0.501 41.213 42.059 -0.574 0.000 0.896 192 L HN 0.161 nan 8.230 nan 0.000 0.433 193 Q N 1.324 120.631 119.800 -0.822 0.000 1.895 193 Q HA -0.214 4.127 4.340 0.001 0.000 0.217 193 Q C 1.673 177.497 176.000 -0.292 0.000 1.003 193 Q CA 2.335 57.822 55.803 -0.527 0.000 0.871 193 Q CB -0.567 27.985 28.738 -0.310 0.000 0.941 193 Q HN 0.446 nan 8.270 nan 0.000 0.421 194 S N -0.900 114.658 115.700 -0.238 0.000 3.361 194 S HA 0.218 4.688 4.470 0.001 0.000 0.246 194 S C 0.545 174.975 174.600 -0.285 0.000 1.237 194 S CA 0.353 58.433 58.200 -0.200 0.000 1.240 194 S CB -0.250 62.865 63.200 -0.142 0.000 1.154 194 S HN 0.372 nan 8.310 nan 0.000 0.461 195 S N -0.614 114.838 115.700 -0.414 0.000 2.184 195 S HA 0.339 4.810 4.470 0.001 0.000 0.253 195 S C -0.020 173.888 174.600 -1.153 0.000 0.950 195 S CA -0.331 57.427 58.200 -0.736 0.000 1.541 195 S CB -0.054 62.647 63.200 -0.832 0.000 1.172 195 S HN 0.582 nan 8.310 nan 0.000 0.577 196 F N 2.057 121.842 119.950 -0.276 0.000 3.021 196 F HA 0.187 4.715 4.527 0.002 0.000 0.376 196 F C 1.308 176.922 175.800 -0.310 0.000 1.075 196 F CA 0.065 57.827 58.000 -0.398 0.000 1.073 196 F CB -0.087 38.389 39.000 -0.873 0.000 1.243 196 F HN 0.142 nan 8.300 nan 0.000 0.540 197 Q N 1.232 120.981 119.800 -0.086 0.000 2.761 197 Q HA -0.493 3.847 4.340 0.001 0.000 0.473 197 Q C 1.398 177.414 176.000 0.027 0.000 0.472 197 Q CA 2.711 58.507 55.803 -0.012 0.000 1.027 197 Q CB -1.249 27.466 28.738 -0.038 0.000 1.593 197 Q HN 0.371 nan 8.270 nan 0.000 1.128 198 K N 1.135 121.535 120.400 -0.000 0.000 2.077 198 K HA -0.252 4.068 4.320 0.001 0.000 0.213 198 K C 1.736 178.334 176.600 -0.002 0.000 1.051 198 K CA 2.410 58.700 56.287 0.004 0.000 0.929 198 K CB -0.277 32.224 32.500 0.003 0.000 0.715 198 K HN 0.438 nan 8.250 nan 0.000 0.451 199 D N -0.693 119.677 120.400 -0.051 0.000 2.117 199 D HA -0.153 4.487 4.640 0.001 0.000 0.197 199 D C 1.522 177.798 176.300 -0.040 0.000 0.987 199 D CA 0.915 54.875 54.000 -0.066 0.000 0.829 199 D CB -0.120 40.548 40.800 -0.221 0.000 0.961 199 D HN 0.133 nan 8.370 nan 0.000 0.460 200 F N 1.795 121.537 119.950 -0.347 0.000 2.075 200 F HA -0.183 4.344 4.527 0.001 0.000 0.297 200 F C 1.534 177.299 175.800 -0.059 0.000 1.113 200 F CA 1.528 59.425 58.000 -0.171 0.000 1.218 200 F CB -0.465 38.407 39.000 -0.214 0.000 0.984 200 F HN -0.185 nan 8.300 nan 0.000 0.472 201 D N 0.479 120.847 120.400 -0.053 0.000 2.126 201 D HA -0.229 4.411 4.640 0.001 0.000 0.190 201 D C 2.292 178.512 176.300 -0.133 0.000 1.001 201 D CA 1.647 55.564 54.000 -0.139 0.000 0.841 201 D CB -0.407 40.383 40.800 -0.018 0.000 0.949 201 D HN 0.172 nan 8.370 nan 0.000 0.446 202 K N 0.447 120.819 120.400 -0.047 0.000 2.009 202 K HA -0.098 4.223 4.320 0.001 0.000 0.210 202 K C 2.083 178.670 176.600 -0.021 0.000 1.049 202 K CA 1.259 57.537 56.287 -0.016 0.000 0.929 202 K CB -0.370 32.145 32.500 0.026 0.000 0.714 202 K HN 0.116 nan 8.250 nan 0.000 0.440 203 A N 0.713 123.538 122.820 0.010 0.000 1.948 203 A HA -0.156 4.164 4.320 0.001 0.000 0.220 203 A C 2.361 179.896 177.584 -0.081 0.000 1.177 203 A CA 1.983 54.026 52.037 0.009 0.000 0.636 203 A CB -0.562 18.530 19.000 0.153 0.000 0.815 203 A HN 0.177 nan 8.150 nan 0.000 0.449 204 V N -1.273 118.493 119.914 -0.248 0.000 2.300 204 V HA -0.152 3.968 4.120 0.001 0.000 0.241 204 V C 2.431 178.490 176.094 -0.058 0.000 1.034 204 V CA 1.501 63.663 62.300 -0.228 0.000 1.021 204 V CB -0.725 30.791 31.823 -0.510 0.000 0.662 204 V HN 0.378 nan 8.190 nan 0.000 0.458 205 V N 0.646 120.509 119.914 -0.085 0.000 2.317 205 V HA -0.369 3.751 4.120 0.001 0.000 0.251 205 V C 2.211 178.300 176.094 -0.008 0.000 1.065 205 V CA 2.930 65.208 62.300 -0.036 0.000 1.049 205 V CB -0.565 31.236 31.823 -0.036 0.000 0.651 205 V HN 0.645 nan 8.190 nan 0.000 0.450 206 D N -0.730 119.673 120.400 0.006 0.000 2.092 206 D HA -0.201 4.439 4.640 0.001 0.000 0.193 206 D C 1.791 178.125 176.300 0.056 0.000 0.994 206 D CA 1.872 55.888 54.000 0.027 0.000 0.828 206 D CB -0.415 40.406 40.800 0.036 0.000 0.963 206 D HN 0.590 nan 8.370 nan 0.000 0.450 207 F N 0.434 120.359 119.950 -0.042 0.000 2.269 207 F HA -0.092 4.435 4.527 0.000 0.000 0.301 207 F C 1.968 177.766 175.800 -0.004 0.000 1.082 207 F CA 1.013 58.998 58.000 -0.024 0.000 1.360 207 F CB -0.078 38.906 39.000 -0.027 0.000 1.041 207 F HN -0.099 nan 8.300 nan 0.000 0.512 208 M N -1.112 118.405 119.600 -0.140 0.000 2.248 208 M HA -0.107 4.373 4.480 0.001 0.000 0.265 208 M C 2.337 178.542 176.300 -0.160 0.000 1.079 208 M CA 1.013 56.198 55.300 -0.192 0.000 1.150 208 M CB -1.056 31.522 32.600 -0.036 0.000 1.366 208 M HN 0.014 nan 8.290 nan 0.000 0.433 209 S N 1.277 116.922 115.700 -0.091 0.000 2.419 209 S HA -0.104 4.366 4.470 0.001 0.000 0.235 209 S C 1.996 176.539 174.600 -0.095 0.000 1.019 209 S CA 1.714 59.873 58.200 -0.069 0.000 0.982 209 S CB -0.287 62.890 63.200 -0.038 0.000 0.789 209 S HN 0.627 nan 8.310 nan 0.000 0.490 210 S N 1.008 116.621 115.700 -0.144 0.000 2.436 210 S HA 0.165 4.636 4.470 0.001 0.000 0.228 210 S C 1.719 176.199 174.600 -0.198 0.000 1.014 210 S CA 0.293 58.405 58.200 -0.146 0.000 0.950 210 S CB -0.388 62.739 63.200 -0.123 0.000 0.784 210 S HN 0.408 nan 8.310 nan 0.000 0.504 211 L N 0.755 121.796 121.223 -0.304 0.000 2.095 211 L HA 0.120 4.460 4.340 0.001 0.000 0.204 211 L C 2.517 179.316 176.870 -0.119 0.000 1.080 211 L CA 0.978 55.669 54.840 -0.250 0.000 0.759 211 L CB -0.515 41.355 42.059 -0.316 0.000 0.914 211 L HN 0.296 nan 8.230 nan 0.000 0.439 212 I N -0.661 119.849 120.570 -0.099 0.000 2.208 212 I HA -0.297 3.873 4.170 0.001 0.000 0.245 212 I C 2.461 178.544 176.117 -0.058 0.000 1.097 212 I CA 1.138 62.401 61.300 -0.061 0.000 1.363 212 I CB -0.362 37.603 38.000 -0.058 0.000 1.051 212 I HN 0.050 nan 8.210 nan 0.000 0.413 213 V N 0.652 120.529 119.914 -0.062 0.000 2.343 213 V HA -0.280 3.841 4.120 0.001 0.000 0.247 213 V C 2.354 178.424 176.094 -0.039 0.000 1.051 213 V CA 1.919 64.192 62.300 -0.046 0.000 1.036 213 V CB -0.653 31.145 31.823 -0.042 0.000 0.654 213 V HN 0.431 nan 8.190 nan 0.000 0.451 214 E N 0.019 120.192 120.200 -0.045 0.000 2.160 214 E HA -0.205 4.146 4.350 0.001 0.000 0.195 214 E C 2.245 178.830 176.600 -0.025 0.000 0.991 214 E CA 1.333 57.715 56.400 -0.031 0.000 0.810 214 E CB -0.263 29.418 29.700 -0.032 0.000 0.742 214 E HN 0.625 nan 8.360 nan 0.000 0.466 215 A N 0.999 123.803 122.820 -0.027 0.000 1.970 215 A HA -0.113 4.208 4.320 0.001 0.000 0.216 215 A C 1.879 179.445 177.584 -0.030 0.000 1.170 215 A CA 0.643 52.667 52.037 -0.023 0.000 0.645 215 A CB -0.077 18.919 19.000 -0.007 0.000 0.816 215 A HN 0.047 nan 8.150 nan 0.000 0.447 216 E N -0.229 119.951 120.200 -0.034 0.000 2.333 216 E HA -0.110 4.241 4.350 0.001 0.000 0.198 216 E C 1.253 177.837 176.600 -0.026 0.000 1.007 216 E CA 0.919 57.299 56.400 -0.034 0.000 0.845 216 E CB -0.091 29.588 29.700 -0.036 0.000 0.766 216 E HN 0.737 nan 8.360 nan 0.000 0.507 217 I N -0.166 120.390 120.570 -0.023 0.000 4.082 217 I HA -0.017 4.153 4.170 0.001 0.000 0.337 217 I C -0.163 175.944 176.117 -0.017 0.000 1.352 217 I CA -0.204 61.085 61.300 -0.018 0.000 1.097 217 I CB 0.345 38.336 38.000 -0.014 0.000 1.048 217 I HN -0.118 nan 8.210 nan 0.000 0.393 218 D N 2.391 122.778 120.400 -0.021 0.000 2.956 218 D HA -0.147 4.493 4.640 0.001 0.000 0.240 218 D C -0.692 175.599 176.300 -0.015 0.000 1.141 218 D CA 0.718 54.704 54.000 -0.023 0.000 0.820 218 D CB -0.400 40.385 40.800 -0.025 0.000 0.988 218 D HN 0.240 nan 8.370 nan 0.000 0.417 219 V N -0.336 119.572 119.914 -0.011 0.000 2.852 219 V HA 0.983 5.104 4.120 0.001 0.000 0.300 219 V C 0.525 176.622 176.094 0.004 0.000 1.205 219 V CA 0.357 62.656 62.300 -0.003 0.000 0.940 219 V CB 1.722 33.545 31.823 -0.000 0.000 1.047 219 V HN 1.309 nan 8.190 nan 0.000 0.429 220 G N 3.697 112.504 108.800 0.011 0.000 2.483 220 G HA2 -0.102 3.858 3.960 0.001 0.000 0.521 220 G HA3 -0.102 3.858 3.960 0.001 0.000 0.521 220 G C 0.237 175.154 174.900 0.027 0.000 1.278 220 G CA 0.094 45.208 45.100 0.022 0.000 0.965 220 G HN 1.290 nan 8.290 nan 0.000 0.504 221 N N 0.736 119.462 118.700 0.042 0.000 2.165 221 N HA -0.271 4.469 4.740 0.001 0.000 0.175 221 N C 0.922 176.458 175.510 0.043 0.000 0.833 221 N CA 2.664 55.745 53.050 0.052 0.000 0.886 221 N CB -0.191 38.339 38.487 0.072 0.000 1.015 221 N HN 1.397 nan 8.380 nan 0.000 0.938 222 D N -2.403 118.021 120.400 0.040 0.000 3.602 222 D HA 0.015 4.656 4.640 0.001 0.000 0.116 222 D C -2.302 174.031 176.300 0.055 0.000 0.780 222 D CA -0.459 53.563 54.000 0.036 0.000 1.983 222 D CB -0.876 39.951 40.800 0.046 0.000 0.512 222 D HN -0.037 nan 8.370 nan 0.000 0.881 223 P HA -0.123 nan 4.420 nan 0.000 0.216 223 P C 2.061 179.421 177.300 0.099 0.000 1.154 223 P CA 0.869 63.994 63.100 0.041 0.000 0.865 223 P CB 0.285 31.988 31.700 0.006 0.000 0.789 224 L N -1.335 119.962 121.223 0.122 0.000 2.056 224 L HA -0.138 4.202 4.340 0.001 0.000 0.207 224 L C 2.342 179.451 176.870 0.398 0.000 1.078 224 L CA 1.433 56.436 54.840 0.272 0.000 0.749 224 L CB -0.802 41.342 42.059 0.142 0.000 0.901 224 L HN -0.038 nan 8.230 nan 0.000 0.433 225 S N -0.636 115.245 115.700 0.302 0.000 2.507 225 S HA -0.006 4.465 4.470 0.001 0.000 0.235 225 S C 1.727 176.413 174.600 0.142 0.000 0.988 225 S CA 0.758 59.130 58.200 0.286 0.000 0.944 225 S CB -0.060 63.267 63.200 0.212 0.000 0.762 225 S HN 0.289 nan 8.310 nan 0.000 0.526 226 I N -0.062 120.587 120.570 0.132 0.000 2.685 226 I HA 0.038 4.208 4.170 0.001 0.000 0.251 226 I C 1.804 177.978 176.117 0.096 0.000 1.102 226 I CA 0.440 61.797 61.300 0.096 0.000 1.442 226 I CB -0.225 37.836 38.000 0.101 0.000 1.194 226 I HN 0.198 nan 8.210 nan 0.000 0.448 227 I N 0.921 121.566 120.570 0.125 0.000 2.185 227 I HA -0.331 3.840 4.170 0.001 0.000 0.246 227 I C 2.502 178.692 176.117 0.123 0.000 1.088 227 I CA 1.590 62.979 61.300 0.147 0.000 1.347 227 I CB -0.336 37.802 38.000 0.230 0.000 1.041 227 I HN 0.074 nan 8.210 nan 0.000 0.415 228 V N 0.491 120.444 119.914 0.064 0.000 2.255 228 V HA -0.268 3.853 4.120 0.001 0.000 0.243 228 V C 2.440 178.449 176.094 -0.142 0.000 1.038 228 V CA 1.861 64.061 62.300 -0.167 0.000 1.008 228 V CB -0.644 30.929 31.823 -0.416 0.000 0.645 228 V HN 0.362 nan 8.190 nan 0.000 0.449 229 K N -0.456 119.889 120.400 -0.092 0.000 2.211 229 K HA -0.182 4.138 4.320 0.001 0.000 0.204 229 K C 2.121 178.704 176.600 -0.027 0.000 1.047 229 K CA 1.830 58.074 56.287 -0.073 0.000 0.935 229 K CB -0.164 32.311 32.500 -0.041 0.000 0.728 229 K HN 0.509 nan 8.250 nan 0.000 0.452 230 T N 1.144 115.704 114.554 0.010 0.000 2.770 230 T HA -0.011 4.339 4.350 0.001 0.000 0.258 230 T C 1.689 176.417 174.700 0.046 0.000 1.039 230 T CA 0.885 63.009 62.100 0.040 0.000 1.143 230 T CB -0.082 68.838 68.868 0.087 0.000 0.866 230 T HN 0.123 nan 8.240 nan 0.000 0.428 231 L N 1.030 122.281 121.223 0.047 0.000 2.043 231 L HA -0.177 4.163 4.340 0.001 0.000 0.212 231 L C 2.857 179.803 176.870 0.126 0.000 1.075 231 L CA 1.284 56.164 54.840 0.067 0.000 0.752 231 L CB -0.700 41.403 42.059 0.072 0.000 0.891 231 L HN 0.306 nan 8.230 nan 0.000 0.432 232 S N -0.110 115.614 115.700 0.040 0.000 2.348 232 S HA -0.257 4.214 4.470 0.001 0.000 0.221 232 S C 1.907 176.547 174.600 0.065 0.000 1.033 232 S CA 1.827 60.044 58.200 0.029 0.000 1.010 232 S CB -0.125 63.026 63.200 -0.083 0.000 0.891 232 S HN 0.406 nan 8.310 nan 0.000 0.442 233 E N 0.038 120.258 120.200 0.032 0.000 2.265 233 E HA 0.002 4.353 4.350 0.001 0.000 0.196 233 E C 1.420 178.055 176.600 0.059 0.000 0.996 233 E CA 0.701 57.120 56.400 0.031 0.000 0.832 233 E CB -0.159 29.540 29.700 -0.001 0.000 0.756 233 E HN 0.414 nan 8.360 nan 0.000 0.491 234 L N -0.680 120.591 121.223 0.080 0.000 2.616 234 L HA 0.139 4.480 4.340 0.001 0.000 0.229 234 L C 1.049 177.969 176.870 0.083 0.000 1.110 234 L CA 0.337 55.233 54.840 0.092 0.000 0.884 234 L CB -0.316 41.807 42.059 0.106 0.000 1.115 234 L HN 0.168 nan 8.230 nan 0.000 0.481 235 Y N 1.052 121.378 120.300 0.043 0.000 2.207 235 Y HA -0.184 4.366 4.550 -0.001 0.000 0.287 235 Y C -0.433 175.500 175.900 0.054 0.000 1.156 235 Y CA 1.793 59.920 58.100 0.045 0.000 1.182 235 Y CB -1.281 37.189 38.460 0.016 0.000 0.979 235 Y HN 0.216 nan 8.280 nan 0.000 0.521 236 P HA -0.183 nan 4.420 nan 0.000 0.211 236 P C 1.537 178.908 177.300 0.117 0.000 1.179 236 P CA 2.404 65.596 63.100 0.153 0.000 0.910 236 P CB -0.246 31.519 31.700 0.108 0.000 0.785 237 S N 1.030 116.790 115.700 0.100 0.000 2.138 237 S HA -0.106 4.364 4.470 0.001 0.000 0.186 237 S C 0.826 175.474 174.600 0.080 0.000 1.409 237 S CA 0.143 58.397 58.200 0.089 0.000 2.447 237 S CB -1.910 61.355 63.200 0.108 0.000 0.289 237 S HN 0.101 nan 8.310 nan 0.000 0.349 238 L N 2.129 123.406 121.223 0.091 0.000 2.838 238 L HA 0.140 4.480 4.340 0.001 0.000 0.287 238 L C 1.633 178.491 176.870 -0.021 0.000 1.124 238 L CA 0.089 54.967 54.840 0.062 0.000 1.091 238 L CB -1.586 40.541 42.059 0.115 0.000 1.448 238 L HN 0.810 nan 8.230 nan 0.000 0.455 239 T N -1.912 112.634 114.554 -0.014 0.000 2.781 239 T HA -0.131 4.219 4.350 0.001 0.000 0.252 239 T C 1.904 176.530 174.700 -0.124 0.000 1.039 239 T CA 0.932 62.991 62.100 -0.067 0.000 1.147 239 T CB -0.559 68.388 68.868 0.132 0.000 0.865 239 T HN 0.695 nan 8.240 nan 0.000 0.423 240 T N 1.883 116.430 114.554 -0.011 0.000 2.653 240 T HA -0.159 4.191 4.350 0.001 0.000 0.268 240 T C 1.882 176.559 174.700 -0.038 0.000 1.035 240 T CA 1.550 63.652 62.100 0.003 0.000 1.154 240 T CB -1.055 67.825 68.868 0.020 0.000 0.862 240 T HN 0.243 nan 8.240 nan 0.000 0.441 241 L N 0.716 121.907 121.223 -0.053 0.000 2.131 241 L HA 0.061 4.401 4.340 0.001 0.000 0.210 241 L C 2.520 179.328 176.870 -0.103 0.000 1.092 241 L CA 1.003 55.809 54.840 -0.057 0.000 0.759 241 L CB -0.946 41.092 42.059 -0.035 0.000 0.903 241 L HN 0.482 nan 8.230 nan 0.000 0.435 242 C N -1.640 117.513 119.300 -0.246 0.000 2.457 242 C HA -0.022 4.439 4.460 0.001 0.000 0.278 242 C C 2.864 177.760 174.990 -0.158 0.000 1.309 242 C CA 0.879 59.671 59.018 -0.377 0.000 1.735 242 C CB -0.915 26.176 27.740 -1.083 0.000 1.992 242 C HN 0.601 nan 8.230 nan 0.000 0.493 243 S N 0.560 116.212 115.700 -0.079 0.000 2.356 243 S HA -0.216 4.255 4.470 0.001 0.000 0.223 243 S C 1.838 176.500 174.600 0.103 0.000 1.032 243 S CA 1.720 60.029 58.200 0.183 0.000 1.005 243 S CB -0.421 62.884 63.200 0.176 0.000 0.867 243 S HN 0.798 nan 8.310 nan 0.000 0.449 244 E N 1.030 121.250 120.200 0.033 0.000 2.070 244 E HA -0.198 4.152 4.350 0.001 0.000 0.197 244 E C 1.929 178.550 176.600 0.034 0.000 1.004 244 E CA 1.421 57.827 56.400 0.010 0.000 0.805 244 E CB -0.300 29.398 29.700 -0.004 0.000 0.744 244 E HN 0.506 nan 8.360 nan 0.000 0.451 245 I N 0.321 120.930 120.570 0.065 0.000 2.099 245 I HA -0.242 3.929 4.170 0.001 0.000 0.239 245 I C 2.254 178.497 176.117 0.209 0.000 1.066 245 I CA 0.971 62.333 61.300 0.102 0.000 1.324 245 I CB -0.406 37.652 38.000 0.096 0.000 1.037 245 I HN 0.213 nan 8.210 nan 0.000 0.401 246 F N 1.260 121.280 119.950 0.116 0.000 2.605 246 F HA -0.075 4.452 4.527 -0.000 0.000 0.296 246 F C 1.516 177.404 175.800 0.148 0.000 1.146 246 F CA 1.122 59.254 58.000 0.220 0.000 1.478 246 F CB -0.409 38.792 39.000 0.335 0.000 1.107 246 F HN 0.004 nan 8.300 nan 0.000 0.600 247 L N -0.655 120.563 121.223 -0.008 0.000 2.858 247 L HA 0.133 4.473 4.340 0.001 0.000 0.251 247 L C 0.875 177.699 176.870 -0.078 0.000 1.149 247 L CA -0.109 54.626 54.840 -0.174 0.000 0.955 247 L CB -0.269 41.660 42.059 -0.218 0.000 1.289 247 L HN -0.222 nan 8.230 nan 0.000 0.542 248 T N 1.637 116.183 114.554 -0.014 0.000 2.906 248 T HA -0.089 4.261 4.350 0.001 0.000 0.329 248 T C 0.622 175.298 174.700 -0.039 0.000 1.091 248 T CA -0.036 62.052 62.100 -0.021 0.000 1.127 248 T CB 0.163 69.027 68.868 -0.006 0.000 1.035 248 T HN 0.313 nan 8.240 nan 0.000 0.547 249 K N 1.723 122.101 120.400 -0.038 0.000 2.075 249 K HA 0.088 4.408 4.320 0.001 0.000 0.246 249 K C 1.099 177.672 176.600 -0.046 0.000 1.293 249 K CA 0.426 56.691 56.287 -0.038 0.000 1.342 249 K CB -1.388 31.092 32.500 -0.033 0.000 0.820 249 K HN 0.931 nan 8.250 nan 0.000 0.436 250 G N 2.109 110.882 108.800 -0.044 0.000 2.168 250 G HA2 -0.312 3.649 3.960 0.001 0.000 0.257 250 G HA3 -0.312 3.649 3.960 0.001 0.000 0.257 250 G C 0.446 175.292 174.900 -0.089 0.000 0.997 250 G CA 0.218 45.287 45.100 -0.052 0.000 0.708 250 G HN 0.627 nan 8.290 nan 0.000 0.520 251 L N 0.793 121.947 121.223 -0.115 0.000 2.265 251 L HA 0.076 4.416 4.340 0.001 0.000 0.215 251 L C 2.544 179.216 176.870 -0.330 0.000 1.117 251 L CA 2.711 57.397 54.840 -0.257 0.000 0.782 251 L CB -0.592 41.337 42.059 -0.216 0.000 0.914 251 L HN 0.318 nan 8.230 nan 0.000 0.441 252 S N 0.456 116.104 115.700 -0.088 0.000 2.482 252 S HA -0.296 4.174 4.470 0.001 0.000 0.226 252 S C 1.735 176.360 174.600 0.042 0.000 1.048 252 S CA 2.107 60.335 58.200 0.047 0.000 1.158 252 S CB -0.500 62.686 63.200 -0.024 0.000 1.130 252 S HN 0.510 nan 8.310 nan 0.000 0.413 253 K N 1.043 121.430 120.400 -0.021 0.000 2.442 253 K HA 0.041 4.361 4.320 0.001 0.000 0.199 253 K C 1.936 178.547 176.600 0.018 0.000 1.044 253 K CA 0.419 56.706 56.287 0.000 0.000 0.941 253 K CB -0.307 32.180 32.500 -0.021 0.000 0.759 253 K HN 0.271 nan 8.250 nan 0.000 0.472 254 L N -0.117 121.082 121.223 -0.039 0.000 2.044 254 L HA -0.145 4.195 4.340 0.001 0.000 0.205 254 L C 1.808 178.743 176.870 0.107 0.000 1.075 254 L CA 1.021 55.838 54.840 -0.039 0.000 0.747 254 L CB -0.114 41.857 42.059 -0.147 0.000 0.903 254 L HN 0.062 nan 8.230 nan 0.000 0.435 255 F N 0.624 120.686 119.950 0.185 0.000 2.026 255 F HA -0.254 4.273 4.527 0.000 0.000 0.296 255 F C 2.499 178.417 175.800 0.196 0.000 1.133 255 F CA 1.249 59.419 58.000 0.283 0.000 1.188 255 F CB -1.138 38.083 39.000 0.369 0.000 0.968 255 F HN -0.067 nan 8.300 nan 0.000 0.476 256 K N 0.374 120.993 120.400 0.365 0.000 2.071 256 K HA -0.296 4.024 4.320 0.001 0.000 0.217 256 K C 2.042 178.649 176.600 0.012 0.000 1.054 256 K CA 2.224 58.564 56.287 0.089 0.000 0.937 256 K CB -0.398 32.118 32.500 0.027 0.000 0.719 256 K HN 0.240 nan 8.250 nan 0.000 0.454 257 K N 0.370 120.809 120.400 0.065 0.000 1.988 257 K HA -0.249 4.071 4.320 0.001 0.000 0.221 257 K C 2.214 178.838 176.600 0.040 0.000 1.053 257 K CA 1.932 58.252 56.287 0.055 0.000 0.959 257 K CB -0.278 32.241 32.500 0.032 0.000 0.728 257 K HN 0.019 nan 8.250 nan 0.000 0.447 258 R N 1.247 121.739 120.500 -0.014 0.000 2.154 258 R HA -0.165 4.176 4.340 0.001 0.000 0.248 258 R C 1.889 178.187 176.300 -0.003 0.000 1.155 258 R CA 1.507 57.530 56.100 -0.129 0.000 0.979 258 R CB -0.635 29.360 30.300 -0.509 0.000 0.869 258 R HN 0.068 nan 8.270 nan 0.000 0.452 259 V N -0.333 119.637 119.914 0.095 0.000 2.307 259 V HA -0.152 3.968 4.120 0.001 0.000 0.245 259 V C 2.059 178.257 176.094 0.173 0.000 1.045 259 V CA 2.078 64.445 62.300 0.111 0.000 1.024 259 V CB -0.502 31.281 31.823 -0.066 0.000 0.651 259 V HN 0.294 nan 8.190 nan 0.000 0.449 260 F N -0.303 119.706 119.950 0.098 0.000 2.164 260 F HA -0.011 4.516 4.527 0.001 0.000 0.287 260 F C 2.628 178.453 175.800 0.042 0.000 1.086 260 F CA 0.936 58.974 58.000 0.065 0.000 1.249 260 F CB -0.212 38.824 39.000 0.060 0.000 1.059 260 F HN 0.053 nan 8.300 nan 0.000 0.490 261 E N 0.539 120.891 120.200 0.253 0.000 2.147 261 E HA -0.236 4.115 4.350 0.001 0.000 0.199 261 E C 1.057 177.705 176.600 0.079 0.000 1.005 261 E CA 1.568 58.046 56.400 0.129 0.000 0.810 261 E CB 0.090 29.844 29.700 0.090 0.000 0.736 261 E HN 0.360 nan 8.360 nan 0.000 0.460 262 E N -0.627 119.615 120.200 0.069 0.000 2.538 262 E HA 0.058 4.409 4.350 0.001 0.000 0.207 262 E C 0.532 177.163 176.600 0.052 0.000 1.002 262 E CA -0.030 56.391 56.400 0.034 0.000 0.952 262 E CB 0.692 30.381 29.700 -0.018 0.000 1.031 262 E HN 0.117 nan 8.360 nan 0.000 0.476 263 Q N 0.584 120.439 119.800 0.090 0.000 1.980 263 Q HA -0.274 4.067 4.340 0.001 0.000 0.328 263 Q C -0.139 175.917 176.000 0.094 0.000 1.949 263 Q CA 2.034 57.891 55.803 0.091 0.000 0.868 263 Q CB -1.489 27.284 28.738 0.058 0.000 1.785 263 Q HN 0.360 nan 8.270 nan 0.000 0.713 264 D N 0.308 120.748 120.400 0.067 0.000 2.980 264 D HA -0.196 4.445 4.640 0.001 0.000 0.218 264 D C 0.618 176.980 176.300 0.104 0.000 1.225 264 D CA 1.073 55.119 54.000 0.078 0.000 0.804 264 D CB -0.793 40.048 40.800 0.069 0.000 0.906 264 D HN 0.395 nan 8.370 nan 0.000 0.396 265 L N 1.386 122.647 121.223 0.063 0.000 1.957 265 L HA -0.307 4.033 4.340 0.001 0.000 0.228 265 L C 2.677 179.553 176.870 0.009 0.000 1.086 265 L CA 1.740 56.600 54.840 0.034 0.000 0.796 265 L CB -0.686 41.380 42.059 0.012 0.000 0.900 265 L HN 0.378 nan 8.230 nan 0.000 0.439 266 Q N -0.473 119.326 119.800 -0.002 0.000 2.165 266 Q HA -0.307 4.034 4.340 0.001 0.000 0.215 266 Q C 2.103 178.077 176.000 -0.043 0.000 1.010 266 Q CA 2.434 58.215 55.803 -0.037 0.000 0.896 266 Q CB -0.671 28.063 28.738 -0.006 0.000 0.956 266 Q HN 0.498 nan 8.270 nan 0.000 0.413 267 F N 0.763 120.666 119.950 -0.079 0.000 2.102 267 F HA -0.214 4.314 4.527 0.002 0.000 0.298 267 F C 2.345 178.068 175.800 -0.128 0.000 1.105 267 F CA 1.986 59.933 58.000 -0.088 0.000 1.239 267 F CB -0.574 38.397 39.000 -0.050 0.000 0.991 267 F HN 0.025 nan 8.300 nan 0.000 0.474 268 T N 0.810 115.320 114.554 -0.074 0.000 2.635 268 T HA -0.293 4.057 4.350 0.001 0.000 0.267 268 T C 2.061 176.567 174.700 -0.322 0.000 1.040 268 T CA 1.962 63.961 62.100 -0.167 0.000 1.156 268 T CB -0.395 68.463 68.868 -0.017 0.000 0.863 268 T HN 0.260 nan 8.240 nan 0.000 0.430 269 K N 0.610 120.819 120.400 -0.318 0.000 2.044 269 K HA -0.193 4.127 4.320 0.001 0.000 0.210 269 K C 2.251 178.570 176.600 -0.470 0.000 1.049 269 K CA 1.549 57.551 56.287 -0.475 0.000 0.927 269 K CB -0.052 32.112 32.500 -0.560 0.000 0.713 269 K HN 0.298 nan 8.250 nan 0.000 0.443 270 E N 0.861 120.786 120.200 -0.459 0.000 2.058 270 E HA -0.231 4.119 4.350 0.001 0.000 0.194 270 E C 2.085 178.360 176.600 -0.543 0.000 0.997 270 E CA 0.992 57.117 56.400 -0.458 0.000 0.801 270 E CB -0.420 28.994 29.700 -0.478 0.000 0.746 270 E HN 0.267 nan 8.360 nan 0.000 0.450 271 L N 1.043 121.828 121.223 -0.731 0.000 2.046 271 L HA -0.129 4.211 4.340 0.001 0.000 0.208 271 L C 2.321 178.882 176.870 -0.514 0.000 1.077 271 L CA 1.369 55.767 54.840 -0.737 0.000 0.747 271 L CB -0.566 41.035 42.059 -0.764 0.000 0.896 271 L HN 0.066 nan 8.230 nan 0.000 0.432 272 L N -0.901 120.098 121.223 -0.373 0.000 2.046 272 L HA -0.209 4.131 4.340 0.001 0.000 0.208 272 L C 2.769 179.534 176.870 -0.174 0.000 1.077 272 L CA 1.315 56.019 54.840 -0.226 0.000 0.747 272 L CB -0.524 41.471 42.059 -0.106 0.000 0.896 272 L HN 0.273 nan 8.230 nan 0.000 0.432 273 R N -0.329 120.069 120.500 -0.170 0.000 2.105 273 R HA -0.200 4.140 4.340 0.001 0.000 0.239 273 R C 2.190 178.384 176.300 -0.178 0.000 1.135 273 R CA 1.213 57.256 56.100 -0.094 0.000 0.967 273 R CB -0.594 29.656 30.300 -0.084 0.000 0.861 273 R HN 0.211 nan 8.270 nan 0.000 0.442 274 L N 1.368 122.415 121.223 -0.294 0.000 2.046 274 L HA -0.141 4.200 4.340 0.001 0.000 0.208 274 L C 2.019 178.640 176.870 -0.414 0.000 1.077 274 L CA 1.599 56.217 54.840 -0.369 0.000 0.747 274 L CB -0.379 41.363 42.059 -0.528 0.000 0.896 274 L HN 0.109 nan 8.230 nan 0.000 0.432 275 L N -1.319 119.672 121.223 -0.387 0.000 2.017 275 L HA -0.228 4.113 4.340 0.001 0.000 0.208 275 L C 2.721 179.470 176.870 -0.201 0.000 1.073 275 L CA 1.582 56.248 54.840 -0.290 0.000 0.745 275 L CB -1.126 40.783 42.059 -0.250 0.000 0.894 275 L HN 0.393 nan 8.230 nan 0.000 0.432 276 S N -0.322 115.286 115.700 -0.154 0.000 2.359 276 S HA -0.243 4.227 4.470 0.001 0.000 0.223 276 S C 2.237 176.754 174.600 -0.139 0.000 1.039 276 S CA 2.059 60.200 58.200 -0.098 0.000 1.042 276 S CB -0.249 62.923 63.200 -0.046 0.000 0.915 276 S HN 0.423 nan 8.310 nan 0.000 0.439 277 S N 1.564 117.153 115.700 -0.185 0.000 2.365 277 S HA -0.101 4.369 4.470 0.001 0.000 0.225 277 S C 2.172 176.493 174.600 -0.466 0.000 1.039 277 S CA 1.301 59.371 58.200 -0.217 0.000 1.033 277 S CB -0.815 62.290 63.200 -0.159 0.000 0.887 277 S HN 0.763 nan 8.310 nan 0.000 0.447 278 A N -0.032 122.309 122.820 -0.799 0.000 2.121 278 A HA -0.044 4.276 4.320 0.001 0.000 0.218 278 A C 1.574 178.950 177.584 -0.346 0.000 1.154 278 A CA 0.573 51.928 52.037 -1.136 0.000 0.679 278 A CB -0.890 17.646 19.000 -0.773 0.000 0.795 278 A HN 0.565 nan 8.150 nan 0.000 0.458 279 C N 1.043 120.233 119.300 -0.183 0.000 3.630 279 C HA 0.216 4.676 4.460 0.001 0.000 0.553 279 C C 1.632 176.627 174.990 0.007 0.000 1.195 279 C CA -0.254 58.741 59.018 -0.038 0.000 1.276 279 C CB -2.809 24.917 27.740 -0.024 0.000 1.521 279 C HN 0.527 nan 8.230 nan 0.000 0.641 280 I N -0.357 120.228 120.570 0.025 0.000 4.229 280 I HA 0.120 4.290 4.170 0.001 0.000 0.228 280 I C 1.008 177.179 176.117 0.091 0.000 0.998 280 I CA 0.350 61.697 61.300 0.079 0.000 1.530 280 I CB -0.323 37.757 38.000 0.133 0.000 1.406 280 I HN 0.137 nan 8.210 nan 0.000 0.449 281 D N 1.375 121.842 120.400 0.111 0.000 2.308 281 D HA 0.043 4.683 4.640 0.001 0.000 0.251 281 D C 0.701 177.059 176.300 0.096 0.000 1.127 281 D CA 0.143 54.201 54.000 0.097 0.000 0.876 281 D CB 1.522 42.379 40.800 0.095 0.000 1.176 281 D HN 0.230 nan 8.370 nan 0.000 0.446 282 E N 0.898 121.147 120.200 0.081 0.000 2.355 282 E HA -0.255 4.095 4.350 0.001 0.000 0.209 282 E C 1.522 178.178 176.600 0.094 0.000 1.050 282 E CA 1.398 57.847 56.400 0.081 0.000 0.843 282 E CB 0.057 29.794 29.700 0.063 0.000 0.742 282 E HN 0.528 nan 8.360 nan 0.000 0.489 283 T N 0.760 115.367 114.554 0.089 0.000 2.653 283 T HA -0.237 4.113 4.350 0.001 0.000 0.268 283 T C 1.686 176.461 174.700 0.125 0.000 1.035 283 T CA 1.707 63.853 62.100 0.077 0.000 1.154 283 T CB -0.081 68.820 68.868 0.056 0.000 0.862 283 T HN 0.163 nan 8.240 nan 0.000 0.441 284 M N 0.666 120.365 119.600 0.165 0.000 2.216 284 M HA 0.192 4.672 4.480 0.001 0.000 0.264 284 M C 2.257 178.701 176.300 0.241 0.000 1.080 284 M CA 1.067 56.524 55.300 0.260 0.000 1.153 284 M CB -1.325 31.422 32.600 0.247 0.000 1.356 284 M HN 0.149 nan 8.290 nan 0.000 0.432 285 R N 0.264 120.857 120.500 0.155 0.000 2.191 285 R HA -0.204 4.136 4.340 0.001 0.000 0.248 285 R C 2.125 178.501 176.300 0.127 0.000 1.127 285 R CA 2.607 58.779 56.100 0.120 0.000 0.943 285 R CB -1.121 29.233 30.300 0.091 0.000 0.891 285 R HN 0.477 nan 8.270 nan 0.000 0.439 286 T N -0.525 114.108 114.554 0.131 0.000 2.896 286 T HA -0.117 4.234 4.350 0.001 0.000 0.263 286 T C 1.434 176.216 174.700 0.136 0.000 1.050 286 T CA 0.965 63.132 62.100 0.111 0.000 1.140 286 T CB -0.489 68.435 68.868 0.093 0.000 0.877 286 T HN 0.265 nan 8.240 nan 0.000 0.457 287 Y N 2.575 122.909 120.300 0.057 0.000 2.030 287 Y HA -0.178 4.372 4.550 0.000 0.000 0.274 287 Y C 2.056 178.020 175.900 0.106 0.000 1.153 287 Y CA 0.914 59.042 58.100 0.048 0.000 1.115 287 Y CB -0.814 37.666 38.460 0.032 0.000 0.969 287 Y HN 0.123 nan 8.280 nan 0.000 0.488 288 I N -0.456 120.229 120.570 0.191 0.000 2.300 288 I HA -0.415 3.755 4.170 0.001 0.000 0.252 288 I C 2.077 178.269 176.117 0.125 0.000 1.119 288 I CA 1.847 63.292 61.300 0.241 0.000 1.384 288 I CB -0.861 37.284 38.000 0.241 0.000 1.062 288 I HN 0.329 nan 8.210 nan 0.000 0.426 289 T N 0.179 114.776 114.554 0.071 0.000 2.701 289 T HA -0.150 4.200 4.350 0.001 0.000 0.263 289 T C 1.752 176.445 174.700 -0.012 0.000 1.040 289 T CA 1.407 63.532 62.100 0.041 0.000 1.147 289 T CB -0.249 68.644 68.868 0.041 0.000 0.865 289 T HN 0.458 nan 8.240 nan 0.000 0.426 290 E N 1.314 121.477 120.200 -0.062 0.000 2.047 290 E HA -0.100 4.250 4.350 0.001 0.000 0.191 290 E C 2.205 178.685 176.600 -0.201 0.000 0.987 290 E CA 1.215 57.551 56.400 -0.107 0.000 0.799 290 E CB -0.188 29.458 29.700 -0.089 0.000 0.752 290 E HN 0.462 nan 8.360 nan 0.000 0.449 291 N N -0.217 118.247 118.700 -0.394 0.000 2.250 291 N HA -0.080 4.660 4.740 0.001 0.000 0.181 291 N C 0.497 175.662 175.510 -0.575 0.000 1.017 291 N CA 0.869 53.563 53.050 -0.594 0.000 0.866 291 N CB 0.043 37.881 38.487 -1.082 0.000 0.985 291 N HN 0.175 nan 8.380 nan 0.000 0.429 292 Y N 0.020 120.252 120.300 -0.113 0.000 2.720 292 Y HA 0.336 4.886 4.550 0.001 0.000 0.277 292 Y C 1.158 177.058 175.900 0.001 0.000 1.144 292 Y CA -0.573 57.507 58.100 -0.034 0.000 1.221 292 Y CB 0.102 38.562 38.460 -0.001 0.000 1.163 292 Y HN -0.027 nan 8.280 nan 0.000 0.537 293 L N 0.471 121.743 121.223 0.082 0.000 2.027 293 L HA -0.177 4.163 4.340 0.001 0.000 0.206 293 L C 2.318 179.256 176.870 0.113 0.000 1.074 293 L CA 2.054 56.944 54.840 0.084 0.000 0.745 293 L CB -0.455 41.628 42.059 0.040 0.000 0.898 293 L HN 0.328 nan 8.230 nan 0.000 0.433 294 Q N -0.835 119.041 119.800 0.125 0.000 2.224 294 Q HA -0.188 4.152 4.340 0.001 0.000 0.203 294 Q C 2.306 178.505 176.000 0.332 0.000 0.970 294 Q CA 1.403 57.316 55.803 0.183 0.000 0.865 294 Q CB -0.102 28.745 28.738 0.181 0.000 0.922 294 Q HN 0.653 nan 8.270 nan 0.000 0.445 295 L N 0.169 121.579 121.223 0.313 0.000 2.005 295 L HA -0.200 4.141 4.340 0.001 0.000 0.207 295 L C 2.090 179.109 176.870 0.248 0.000 1.072 295 L CA 1.044 56.065 54.840 0.302 0.000 0.744 295 L CB -0.218 41.875 42.059 0.057 0.000 0.895 295 L HN 0.304 nan 8.230 nan 0.000 0.433 296 L N -0.102 121.224 121.223 0.171 0.000 1.989 296 L HA -0.285 4.055 4.340 0.001 0.000 0.211 296 L C 2.609 179.550 176.870 0.120 0.000 1.071 296 L CA 1.811 56.724 54.840 0.122 0.000 0.749 296 L CB -0.789 41.331 42.059 0.102 0.000 0.890 296 L HN 0.408 nan 8.230 nan 0.000 0.431 297 E N 0.563 120.836 120.200 0.121 0.000 2.035 297 E HA -0.340 4.010 4.350 0.001 0.000 0.204 297 E C 2.384 179.038 176.600 0.090 0.000 1.025 297 E CA 2.034 58.489 56.400 0.091 0.000 0.835 297 E CB -0.123 29.626 29.700 0.082 0.000 0.764 297 E HN 0.272 nan 8.360 nan 0.000 0.457 298 R N 0.087 120.664 120.500 0.128 0.000 2.081 298 R HA -0.121 4.219 4.340 0.001 0.000 0.235 298 R C 2.558 178.930 176.300 0.121 0.000 1.131 298 R CA 1.581 57.737 56.100 0.093 0.000 0.960 298 R CB -0.441 29.889 30.300 0.050 0.000 0.856 298 R HN 0.103 nan 8.270 nan 0.000 0.436 299 S N 0.466 116.275 115.700 0.182 0.000 2.419 299 S HA -0.119 4.351 4.470 0.001 0.000 0.235 299 S C 1.536 176.183 174.600 0.080 0.000 1.019 299 S CA 0.713 58.998 58.200 0.142 0.000 0.982 299 S CB -0.191 63.086 63.200 0.129 0.000 0.789 299 S HN 0.347 nan 8.310 nan 0.000 0.490 300 L N 2.085 123.346 121.223 0.063 0.000 2.749 300 L HA 0.213 4.553 4.340 0.001 0.000 0.245 300 L C 0.493 177.366 176.870 0.005 0.000 1.156 300 L CA 0.904 55.758 54.840 0.023 0.000 0.890 300 L CB -0.583 41.486 42.059 0.016 0.000 1.036 300 L HN 0.241 nan 8.230 nan 0.000 0.441 301 N N -1.138 117.574 118.700 0.020 0.000 2.238 301 N HA 0.180 4.920 4.740 0.001 0.000 0.235 301 N C -0.900 174.616 175.510 0.009 0.000 1.209 301 N CA 0.132 53.186 53.050 0.005 0.000 0.879 301 N CB 1.253 39.742 38.487 0.003 0.000 1.136 301 N HN 0.026 nan 8.380 nan 0.000 0.517 302 V N 1.285 121.210 119.914 0.019 0.000 2.357 302 V HA 0.141 4.261 4.120 0.001 0.000 0.281 302 V C 1.173 177.279 176.094 0.019 0.000 1.015 302 V CA -0.842 61.471 62.300 0.021 0.000 0.827 302 V CB 1.386 33.231 31.823 0.036 0.000 1.018 302 V HN 0.221 nan 8.190 nan 0.000 0.432 303 E N 0.943 121.147 120.200 0.007 0.000 2.483 303 E HA -0.249 4.101 4.350 0.001 0.000 0.205 303 E C 0.477 177.094 176.600 0.027 0.000 1.075 303 E CA 1.474 57.877 56.400 0.004 0.000 0.889 303 E CB 0.118 29.814 29.700 -0.006 0.000 0.816 303 E HN 0.671 nan 8.360 nan 0.000 0.567 304 D N -0.439 119.984 120.400 0.037 0.000 2.407 304 D HA 0.086 4.726 4.640 0.001 0.000 0.208 304 D C 0.544 176.887 176.300 0.072 0.000 1.083 304 D CA 0.069 54.098 54.000 0.049 0.000 0.844 304 D CB 1.427 42.241 40.800 0.024 0.000 0.967 304 D HN 0.153 nan 8.370 nan 0.000 0.506 305 V N 0.199 120.165 119.914 0.087 0.000 3.686 305 V HA 0.042 4.162 4.120 0.001 0.000 0.299 305 V C 1.400 177.586 176.094 0.153 0.000 1.607 305 V CA 0.174 62.543 62.300 0.115 0.000 1.172 305 V CB 0.748 32.577 31.823 0.011 0.000 0.972 305 V HN -0.019 nan 8.190 nan 0.000 0.442 306 Q N 0.603 120.458 119.800 0.091 0.000 2.016 306 Q HA -0.190 4.151 4.340 0.001 0.000 0.200 306 Q C 2.104 178.096 176.000 -0.014 0.000 0.978 306 Q CA 2.748 58.564 55.803 0.023 0.000 0.833 306 Q CB -0.166 28.552 28.738 -0.034 0.000 0.895 306 Q HN 0.706 nan 8.270 nan 0.000 0.427 307 I N 0.002 120.535 120.570 -0.062 0.000 2.194 307 I HA -0.325 3.846 4.170 0.001 0.000 0.246 307 I C 1.519 177.587 176.117 -0.081 0.000 1.093 307 I CA 1.424 62.613 61.300 -0.185 0.000 1.355 307 I CB -0.080 37.771 38.000 -0.248 0.000 1.046 307 I HN 0.366 nan 8.210 nan 0.000 0.413 308 Y N -0.024 120.272 120.300 -0.007 0.000 2.207 308 Y HA -0.275 4.275 4.550 0.001 0.000 0.287 308 Y C 3.025 178.926 175.900 0.000 0.000 1.156 308 Y CA 1.826 59.927 58.100 0.001 0.000 1.182 308 Y CB -0.683 37.757 38.460 -0.034 0.000 0.979 308 Y HN 0.218 nan 8.280 nan 0.000 0.521 309 S N -0.397 115.389 115.700 0.143 0.000 2.362 309 S HA -0.139 4.332 4.470 0.001 0.000 0.221 309 S C 2.373 177.021 174.600 0.079 0.000 1.032 309 S CA 0.881 59.131 58.200 0.083 0.000 0.973 309 S CB -0.685 62.555 63.200 0.067 0.000 0.849 309 S HN 0.432 nan 8.310 nan 0.000 0.465 310 A N 2.175 125.030 122.820 0.058 0.000 1.881 310 A HA -0.199 4.121 4.320 0.001 0.000 0.219 310 A C 2.190 179.934 177.584 0.267 0.000 1.215 310 A CA 2.170 54.261 52.037 0.089 0.000 0.648 310 A CB -1.418 17.491 19.000 -0.151 0.000 0.832 310 A HN 0.652 nan 8.150 nan 0.000 0.455 311 L N -0.111 121.304 121.223 0.319 0.000 2.081 311 L HA -0.161 4.180 4.340 0.001 0.000 0.212 311 L C 2.335 179.234 176.870 0.048 0.000 1.080 311 L CA 2.283 57.224 54.840 0.168 0.000 0.754 311 L CB -0.471 41.651 42.059 0.104 0.000 0.893 311 L HN 0.180 nan 8.230 nan 0.000 0.433 312 V N -0.600 119.347 119.914 0.056 0.000 2.427 312 V HA -0.272 3.848 4.120 0.001 0.000 0.248 312 V C 2.530 178.644 176.094 0.033 0.000 1.051 312 V CA 1.839 64.152 62.300 0.022 0.000 1.048 312 V CB -0.542 31.291 31.823 0.016 0.000 0.666 312 V HN 0.445 nan 8.190 nan 0.000 0.456 313 L N 0.328 121.590 121.223 0.065 0.000 2.017 313 L HA -0.159 4.181 4.340 0.001 0.000 0.208 313 L C 2.671 179.605 176.870 0.106 0.000 1.073 313 L CA 1.925 56.819 54.840 0.090 0.000 0.745 313 L CB -0.727 41.402 42.059 0.117 0.000 0.894 313 L HN 0.440 nan 8.230 nan 0.000 0.432 314 V N -1.680 118.263 119.914 0.048 0.000 2.307 314 V HA -0.240 3.881 4.120 0.001 0.000 0.245 314 V C 2.182 178.186 176.094 -0.150 0.000 1.045 314 V CA 1.574 63.834 62.300 -0.066 0.000 1.024 314 V CB -0.655 31.012 31.823 -0.260 0.000 0.651 314 V HN 0.384 nan 8.190 nan 0.000 0.449 315 K N 0.926 121.201 120.400 -0.208 0.000 2.519 315 K HA -0.046 4.274 4.320 0.001 0.000 0.196 315 K C 1.606 178.157 176.600 -0.082 0.000 1.041 315 K CA 1.584 57.697 56.287 -0.289 0.000 0.954 315 K CB -0.288 32.101 32.500 -0.185 0.000 0.774 315 K HN 0.856 nan 8.250 nan 0.000 0.480 316 T N -4.740 109.827 114.554 0.022 0.000 3.043 316 T HA -0.014 4.336 4.350 0.001 0.000 0.272 316 T C 0.341 175.141 174.700 0.168 0.000 0.990 316 T CA -0.644 61.506 62.100 0.084 0.000 0.897 316 T CB -0.075 68.832 68.868 0.065 0.000 1.111 316 T HN 0.355 nan 8.240 nan 0.000 0.529 317 W N 2.086 123.342 121.300 -0.072 0.000 5.121 317 W HA -0.280 4.380 4.660 0.001 0.000 0.372 317 W C -0.347 175.919 176.519 -0.421 0.000 1.394 317 W CA 0.673 57.876 57.345 -0.236 0.000 0.885 317 W CB -2.224 27.111 29.460 -0.208 0.000 2.520 317 W HN 0.403 nan 8.180 nan 0.000 1.455 318 S N 0.625 116.231 115.700 -0.156 0.000 2.634 318 S HA 0.016 4.487 4.470 0.001 0.000 0.221 318 S C 0.815 175.334 174.600 -0.135 0.000 0.952 318 S CA 0.331 58.458 58.200 -0.121 0.000 0.930 318 S CB -0.643 62.555 63.200 -0.004 0.000 0.780 318 S HN 0.370 nan 8.310 nan 0.000 0.498 319 F N 1.148 121.023 119.950 -0.125 0.000 2.811 319 F HA 0.129 4.655 4.527 -0.001 0.000 0.301 319 F C 1.983 177.734 175.800 -0.080 0.000 1.151 319 F CA 0.473 58.397 58.000 -0.126 0.000 1.412 319 F CB -1.415 37.456 39.000 -0.216 0.000 1.113 319 F HN 0.133 nan 8.300 nan 0.000 0.579 320 T N -3.122 111.170 114.554 -0.437 0.000 3.163 320 T HA 0.001 4.352 4.350 0.001 0.000 0.260 320 T C 0.894 175.564 174.700 -0.050 0.000 1.156 320 T CA 0.162 62.139 62.100 -0.206 0.000 1.072 320 T CB -0.416 68.327 68.868 -0.208 0.000 0.937 320 T HN 0.042 nan 8.240 nan 0.000 0.528 321 K N 1.866 122.247 120.400 -0.032 0.000 3.165 321 K HA 0.326 4.646 4.320 0.001 0.000 0.259 321 K C -0.225 176.392 176.600 0.027 0.000 1.282 321 K CA -0.611 55.678 56.287 0.002 0.000 1.259 321 K CB -0.548 31.955 32.500 0.005 0.000 1.546 321 K HN 0.319 nan 8.250 nan 0.000 0.384 322 L N 1.082 122.328 121.223 0.039 0.000 2.700 322 L HA -0.118 4.223 4.340 0.001 0.000 0.272 322 L C 0.892 177.781 176.870 0.032 0.000 1.176 322 L CA 1.298 56.169 54.840 0.051 0.000 0.961 322 L CB -0.076 42.018 42.059 0.058 0.000 1.249 322 L HN 0.413 nan 8.230 nan 0.000 0.487 323 T N 0.491 115.062 114.554 0.028 0.000 3.536 323 T HA -0.003 4.348 4.350 0.001 0.000 0.242 323 T C 1.059 175.766 174.700 0.011 0.000 0.980 323 T CA 0.587 62.698 62.100 0.017 0.000 1.132 323 T CB -0.013 68.865 68.868 0.016 0.000 1.185 323 T HN 0.706 nan 8.240 nan 0.000 0.374 324 C N 2.248 121.554 119.300 0.011 0.000 3.070 324 C HA 0.730 5.190 4.460 0.001 0.000 0.280 324 C C 0.187 175.175 174.990 -0.004 0.000 1.264 324 C CA -1.052 57.966 59.018 0.001 0.000 1.690 324 C CB -1.416 26.323 27.740 -0.001 0.000 2.049 324 C HN 0.552 nan 8.230 nan 0.000 0.636 325 I N 0.861 121.434 120.570 0.005 0.000 2.619 325 I HA 0.610 4.780 4.170 0.001 0.000 0.292 325 I C -1.286 174.838 176.117 0.010 0.000 1.100 325 I CA -1.645 59.652 61.300 -0.006 0.000 1.043 325 I CB 1.208 39.199 38.000 -0.016 0.000 1.239 325 I HN 0.200 nan 8.210 nan 0.000 0.420 326 N N 5.619 124.310 118.700 -0.014 0.000 2.319 326 N HA 0.426 5.167 4.740 0.001 0.000 0.305 326 N C 0.528 176.002 175.510 -0.060 0.000 1.103 326 N CA -0.946 52.100 53.050 -0.006 0.000 0.815 326 N CB 2.108 40.591 38.487 -0.007 0.000 1.288 326 N HN 0.835 nan 8.380 nan 0.000 0.493 327 L N 0.629 121.812 121.223 -0.067 0.000 2.082 327 L HA -0.321 4.019 4.340 0.001 0.000 0.223 327 L C 2.114 178.886 176.870 -0.162 0.000 1.086 327 L CA 2.040 56.770 54.840 -0.183 0.000 0.793 327 L CB -0.322 41.672 42.059 -0.107 0.000 0.896 327 L HN 0.650 nan 8.230 nan 0.000 0.441 328 K N -1.109 119.232 120.400 -0.099 0.000 2.097 328 K HA -0.234 4.086 4.320 0.001 0.000 0.205 328 K C 2.098 178.635 176.600 -0.105 0.000 1.050 328 K CA 1.345 57.577 56.287 -0.093 0.000 0.938 328 K CB -0.098 32.364 32.500 -0.063 0.000 0.718 328 K HN 0.191 nan 8.250 nan 0.000 0.442 329 Q N 0.854 120.595 119.800 -0.098 0.000 2.096 329 Q HA -0.064 4.276 4.340 0.001 0.000 0.197 329 Q C 1.928 177.842 176.000 -0.143 0.000 0.964 329 Q CA 0.849 56.589 55.803 -0.105 0.000 0.838 329 Q CB -0.079 28.610 28.738 -0.081 0.000 0.906 329 Q HN 0.171 nan 8.270 nan 0.000 0.444 330 L N -0.286 120.846 121.223 -0.152 0.000 1.976 330 L HA -0.161 4.179 4.340 0.001 0.000 0.209 330 L C 2.066 178.835 176.870 -0.168 0.000 1.071 330 L CA 2.119 56.849 54.840 -0.183 0.000 0.746 330 L CB -0.988 40.950 42.059 -0.200 0.000 0.890 330 L HN 0.111 nan 8.230 nan 0.000 0.432 331 S N -0.670 114.960 115.700 -0.116 0.000 2.387 331 S HA -0.271 4.200 4.470 0.001 0.000 0.230 331 S C 1.888 176.434 174.600 -0.089 0.000 1.035 331 S CA 1.530 59.712 58.200 -0.031 0.000 1.014 331 S CB -0.441 62.692 63.200 -0.112 0.000 0.836 331 S HN 0.557 nan 8.310 nan 0.000 0.466 332 E N 0.481 120.588 120.200 -0.155 0.000 2.265 332 E HA -0.101 4.250 4.350 0.001 0.000 0.196 332 E C 1.731 178.204 176.600 -0.212 0.000 0.996 332 E CA 0.607 56.901 56.400 -0.178 0.000 0.832 332 E CB -0.102 29.509 29.700 -0.148 0.000 0.756 332 E HN 0.528 nan 8.360 nan 0.000 0.491 333 I N -0.042 120.345 120.570 -0.305 0.000 2.163 333 I HA -0.261 3.909 4.170 0.001 0.000 0.240 333 I C 1.785 177.670 176.117 -0.388 0.000 1.081 333 I CA 1.069 62.115 61.300 -0.423 0.000 1.353 333 I CB -0.371 37.206 38.000 -0.706 0.000 1.054 333 I HN 0.113 nan 8.210 nan 0.000 0.407 334 F N 0.823 120.684 119.950 -0.148 0.000 2.234 334 F HA -0.136 4.393 4.527 0.003 0.000 0.299 334 F C 2.364 178.068 175.800 -0.159 0.000 1.087 334 F CA 1.133 59.054 58.000 -0.131 0.000 1.340 334 F CB -0.791 38.135 39.000 -0.123 0.000 1.031 334 F HN -0.028 nan 8.300 nan 0.000 0.500 335 I N 0.082 120.584 120.570 -0.114 0.000 2.163 335 I HA -0.317 3.853 4.170 0.001 0.000 0.240 335 I C 2.414 178.419 176.117 -0.186 0.000 1.081 335 I CA 1.695 62.754 61.300 -0.402 0.000 1.353 335 I CB -0.499 37.139 38.000 -0.603 0.000 1.054 335 I HN 0.166 nan 8.210 nan 0.000 0.407 336 N N 1.422 120.036 118.700 -0.144 0.000 2.058 336 N HA -0.186 4.555 4.740 0.001 0.000 0.191 336 N C 1.850 177.340 175.510 -0.033 0.000 1.037 336 N CA 2.011 55.013 53.050 -0.080 0.000 0.848 336 N CB -0.217 38.212 38.487 -0.097 0.000 1.021 336 N HN 0.300 nan 8.380 nan 0.000 0.422 337 A N 0.726 123.518 122.820 -0.046 0.000 1.917 337 A HA -0.138 4.183 4.320 0.001 0.000 0.219 337 A C 2.284 179.893 177.584 0.041 0.000 1.182 337 A CA 1.391 53.419 52.037 -0.015 0.000 0.633 337 A CB -0.858 18.123 19.000 -0.031 0.000 0.819 337 A HN 0.437 nan 8.150 nan 0.000 0.448 338 I N -1.131 119.493 120.570 0.090 0.000 2.209 338 I HA -0.168 4.002 4.170 0.001 0.000 0.220 338 I C 1.918 178.113 176.117 0.129 0.000 1.056 338 I CA 1.022 62.409 61.300 0.146 0.000 1.354 338 I CB -0.870 37.309 38.000 0.299 0.000 1.145 338 I HN 0.428 nan 8.210 nan 0.000 0.396 339 S N -0.027 115.793 115.700 0.199 0.000 3.237 339 S HA -0.324 4.147 4.470 0.001 0.000 0.567 339 S C 0.762 175.410 174.600 0.080 0.000 2.723 339 S CA 1.565 59.853 58.200 0.148 0.000 3.985 339 S CB -0.536 62.721 63.200 0.095 0.000 1.154 339 S HN 0.410 nan 8.310 nan 0.000 1.258 340 R N 0.853 121.384 120.500 0.052 0.000 2.767 340 R HA 0.328 4.668 4.340 0.001 0.000 0.377 340 R C 1.350 177.666 176.300 0.026 0.000 1.151 340 R CA -0.164 55.955 56.100 0.032 0.000 1.046 340 R CB 0.263 30.576 30.300 0.022 0.000 1.404 340 R HN 0.357 nan 8.270 nan 0.000 0.580 341 R N -0.501 120.016 120.500 0.029 0.000 2.191 341 R HA 0.254 4.594 4.340 0.001 0.000 0.196 341 R C 0.349 176.659 176.300 0.018 0.000 0.991 341 R CA 0.341 56.452 56.100 0.019 0.000 1.075 341 R CB 0.360 30.668 30.300 0.012 0.000 1.040 341 R HN -0.006 nan 8.270 nan 0.000 0.526 342 I N -0.900 119.684 120.570 0.023 0.000 3.237 342 I HA 0.167 4.337 4.170 0.001 0.000 0.308 342 I C 0.734 176.869 176.117 0.029 0.000 1.093 342 I CA -0.587 60.726 61.300 0.022 0.000 1.001 342 I CB 2.310 40.319 38.000 0.015 0.000 1.245 342 I HN -0.277 nan 8.210 nan 0.000 0.485 343 V N 0.554 120.485 119.914 0.029 0.000 3.837 343 V HA 0.141 4.261 4.120 0.001 0.000 0.182 343 V C -1.796 174.322 176.094 0.039 0.000 1.356 343 V CA 0.307 62.628 62.300 0.036 0.000 1.260 343 V CB -1.115 30.725 31.823 0.028 0.000 1.287 343 V HN 0.568 nan 8.190 nan 0.000 0.572 344 P HA -0.099 nan 4.420 nan 0.000 0.223 344 P C 0.750 178.064 177.300 0.024 0.000 1.144 344 P CA 1.323 64.446 63.100 0.038 0.000 0.783 344 P CB -0.026 31.704 31.700 0.050 0.000 0.771 345 K N -1.428 118.975 120.400 0.006 0.000 2.455 345 K HA 0.162 4.482 4.320 0.001 0.000 0.206 345 K C 1.093 177.702 176.600 0.015 0.000 1.027 345 K CA -0.167 56.100 56.287 -0.033 0.000 1.113 345 K CB 0.358 32.809 32.500 -0.081 0.000 0.850 345 K HN -0.040 nan 8.250 nan 0.000 0.503 346 V N 1.377 121.317 119.914 0.044 0.000 2.255 346 V HA -0.213 3.907 4.120 0.001 0.000 0.243 346 V C 2.012 178.135 176.094 0.049 0.000 1.038 346 V CA 1.652 63.989 62.300 0.061 0.000 1.008 346 V CB -0.249 31.620 31.823 0.076 0.000 0.645 346 V HN 0.357 nan 8.190 nan 0.000 0.449 347 E N -0.278 119.958 120.200 0.060 0.000 2.065 347 E HA -0.345 4.005 4.350 0.001 0.000 0.201 347 E C 2.154 178.760 176.600 0.011 0.000 1.016 347 E CA 2.065 58.484 56.400 0.032 0.000 0.818 347 E CB -0.307 29.445 29.700 0.088 0.000 0.749 347 E HN 0.501 nan 8.360 nan 0.000 0.453 348 M N 0.764 120.372 119.600 0.013 0.000 2.226 348 M HA -0.287 4.193 4.480 0.001 0.000 0.257 348 M C 2.381 178.663 176.300 -0.031 0.000 1.070 348 M CA 2.056 57.350 55.300 -0.009 0.000 1.087 348 M CB -0.106 32.471 32.600 -0.038 0.000 1.278 348 M HN -0.016 nan 8.290 nan 0.000 0.426 349 S N -0.397 115.331 115.700 0.047 0.000 2.359 349 S HA -0.153 4.318 4.470 0.001 0.000 0.224 349 S C 1.777 176.326 174.600 -0.086 0.000 1.035 349 S CA 1.609 59.839 58.200 0.050 0.000 1.018 349 S CB -0.666 62.669 63.200 0.227 0.000 0.876 349 S HN 0.426 nan 8.310 nan 0.000 0.448 350 V N 1.920 121.822 119.914 -0.020 0.000 2.252 350 V HA -0.263 3.858 4.120 0.001 0.000 0.249 350 V C 2.510 178.554 176.094 -0.083 0.000 1.056 350 V CA 2.206 64.485 62.300 -0.036 0.000 1.022 350 V CB -0.712 31.083 31.823 -0.047 0.000 0.641 350 V HN 0.539 nan 8.190 nan 0.000 0.445 351 E N 0.113 120.272 120.200 -0.069 0.000 2.049 351 E HA -0.280 4.070 4.350 0.001 0.000 0.198 351 E C 2.250 178.832 176.600 -0.030 0.000 1.007 351 E CA 1.613 57.994 56.400 -0.031 0.000 0.809 351 E CB -0.277 29.441 29.700 0.031 0.000 0.749 351 E HN 0.562 nan 8.360 nan 0.000 0.450 352 A N 0.870 123.556 122.820 -0.225 0.000 1.940 352 A HA -0.148 4.172 4.320 0.001 0.000 0.219 352 A C 2.178 179.540 177.584 -0.370 0.000 1.176 352 A CA 1.139 52.888 52.037 -0.479 0.000 0.631 352 A CB -0.528 17.561 19.000 -1.519 0.000 0.814 352 A HN 0.326 nan 8.150 nan 0.000 0.446 353 L N -1.150 119.898 121.223 -0.293 0.000 2.313 353 L HA -0.049 4.291 4.340 0.001 0.000 0.214 353 L C 2.902 179.732 176.870 -0.067 0.000 1.119 353 L CA 0.595 55.350 54.840 -0.141 0.000 0.809 353 L CB -0.414 41.624 42.059 -0.035 0.000 0.933 353 L HN 0.441 nan 8.230 nan 0.000 0.449 354 A N -0.581 122.181 122.820 -0.097 0.000 2.019 354 A HA -0.206 4.114 4.320 0.001 0.000 0.219 354 A C 1.886 179.390 177.584 -0.134 0.000 1.164 354 A CA 1.379 53.319 52.037 -0.162 0.000 0.644 354 A CB -0.438 18.400 19.000 -0.270 0.000 0.805 354 A HN 0.323 nan 8.150 nan 0.000 0.449 355 Y N -0.428 119.865 120.300 -0.012 0.000 2.177 355 Y HA 0.086 4.638 4.550 0.002 0.000 0.291 355 Y C 2.130 178.107 175.900 0.129 0.000 1.117 355 Y CA 1.241 59.407 58.100 0.110 0.000 1.114 355 Y CB -0.461 38.070 38.460 0.119 0.000 1.017 355 Y HN 0.116 nan 8.280 nan 0.000 0.505 356 L N 0.032 121.334 121.223 0.133 0.000 2.353 356 L HA -0.170 4.170 4.340 0.001 0.000 0.220 356 L C 2.093 178.983 176.870 0.033 0.000 1.133 356 L CA 1.391 56.221 54.840 -0.017 0.000 0.798 356 L CB -0.699 41.238 42.059 -0.203 0.000 0.922 356 L HN 0.275 nan 8.230 nan 0.000 0.445 357 S N -0.884 114.840 115.700 0.039 0.000 2.607 357 S HA 0.018 4.488 4.470 0.001 0.000 0.224 357 S C 1.678 176.310 174.600 0.053 0.000 0.969 357 S CA 0.217 58.429 58.200 0.020 0.000 0.927 357 S CB -0.276 62.922 63.200 -0.002 0.000 0.772 357 S HN 0.415 nan 8.310 nan 0.000 0.533 358 L N 0.014 121.315 121.223 0.130 0.000 2.240 358 L HA 0.147 4.487 4.340 0.001 0.000 0.211 358 L C 1.212 178.173 176.870 0.151 0.000 1.106 358 L CA 0.563 55.490 54.840 0.145 0.000 0.793 358 L CB -0.212 41.980 42.059 0.221 0.000 0.927 358 L HN 0.153 nan 8.230 nan 0.000 0.446 359 K N 0.263 120.776 120.400 0.189 0.000 2.295 359 K HA 0.165 4.485 4.320 0.001 0.000 0.270 359 K C 0.925 177.572 176.600 0.078 0.000 1.011 359 K CA 0.396 56.783 56.287 0.166 0.000 0.953 359 K CB 1.573 34.183 32.500 0.183 0.000 0.956 359 K HN -0.047 nan 8.250 nan 0.000 0.477 360 A N 2.164 125.025 122.820 0.067 0.000 1.873 360 A HA -0.166 4.155 4.320 0.001 0.000 0.215 360 A C 2.086 179.677 177.584 0.012 0.000 1.186 360 A CA 2.075 54.132 52.037 0.032 0.000 0.616 360 A CB -0.629 18.392 19.000 0.035 0.000 0.823 360 A HN 0.787 nan 8.150 nan 0.000 0.442 361 S N -0.050 115.662 115.700 0.019 0.000 2.400 361 S HA -0.154 4.316 4.470 0.001 0.000 0.232 361 S C 1.729 176.314 174.600 -0.024 0.000 1.025 361 S CA 1.537 59.736 58.200 -0.001 0.000 0.993 361 S CB -1.003 62.200 63.200 0.005 0.000 0.808 361 S HN 0.255 nan 8.310 nan 0.000 0.478 362 V N 2.638 122.536 119.914 -0.027 0.000 2.270 362 V HA -0.154 3.967 4.120 0.001 0.000 0.245 362 V C 2.732 178.791 176.094 -0.058 0.000 1.043 362 V CA 1.789 64.057 62.300 -0.052 0.000 1.014 362 V CB -0.687 31.104 31.823 -0.053 0.000 0.645 362 V HN 0.459 nan 8.190 nan 0.000 0.447 363 K N 0.017 120.387 120.400 -0.050 0.000 2.015 363 K HA -0.231 4.090 4.320 0.001 0.000 0.216 363 K C 2.071 178.602 176.600 -0.116 0.000 1.052 363 K CA 2.121 58.355 56.287 -0.088 0.000 0.937 363 K CB -0.647 31.809 32.500 -0.072 0.000 0.719 363 K HN 0.397 nan 8.250 nan 0.000 0.446 364 I N 0.996 121.520 120.570 -0.076 0.000 2.208 364 I HA -0.293 3.878 4.170 0.001 0.000 0.245 364 I C 2.756 178.841 176.117 -0.053 0.000 1.097 364 I CA 1.111 62.375 61.300 -0.061 0.000 1.363 364 I CB -0.189 37.792 38.000 -0.030 0.000 1.051 364 I HN 0.226 nan 8.210 nan 0.000 0.413 365 M N 0.369 119.937 119.600 -0.053 0.000 2.202 365 M HA -0.220 4.260 4.480 0.001 0.000 0.262 365 M C 2.137 178.407 176.300 -0.050 0.000 1.063 365 M CA 1.928 57.197 55.300 -0.053 0.000 1.097 365 M CB 0.032 32.590 32.600 -0.070 0.000 1.382 365 M HN 0.177 nan 8.290 nan 0.000 0.413 366 I N -0.941 119.594 120.570 -0.059 0.000 2.385 366 I HA -0.189 3.982 4.170 0.001 0.000 0.244 366 I C 2.234 178.353 176.117 0.002 0.000 1.089 366 I CA 0.657 61.954 61.300 -0.004 0.000 1.410 366 I CB -0.498 37.520 38.000 0.030 0.000 1.117 366 I HN 0.193 nan 8.210 nan 0.000 0.429 367 R N 1.175 121.586 120.500 -0.150 0.000 2.154 367 R HA -0.180 4.160 4.340 0.001 0.000 0.248 367 R C 2.469 178.853 176.300 0.139 0.000 1.155 367 R CA 1.920 57.936 56.100 -0.140 0.000 0.979 367 R CB -0.640 29.451 30.300 -0.348 0.000 0.869 367 R HN 0.509 nan 8.270 nan 0.000 0.452 368 S N 0.836 116.580 115.700 0.073 0.000 2.377 368 S HA -0.100 4.370 4.470 0.001 0.000 0.223 368 S C 1.254 175.919 174.600 0.109 0.000 1.030 368 S CA 0.304 58.561 58.200 0.095 0.000 0.970 368 S CB -0.326 62.902 63.200 0.048 0.000 0.830 368 S HN 0.182 nan 8.310 nan 0.000 0.473 369 N N 2.799 121.555 118.700 0.093 0.000 2.670 369 N HA 0.009 4.750 4.740 0.001 0.000 0.296 369 N C 0.878 176.471 175.510 0.139 0.000 1.216 369 N CA 0.144 53.258 53.050 0.107 0.000 1.123 369 N CB 0.034 38.581 38.487 0.100 0.000 1.459 369 N HN 0.696 nan 8.380 nan 0.000 0.509 370 E N 1.394 121.677 120.200 0.137 0.000 2.070 370 E HA -0.199 4.151 4.350 0.001 0.000 0.197 370 E C 1.085 177.736 176.600 0.085 0.000 1.004 370 E CA 1.258 57.747 56.400 0.148 0.000 0.805 370 E CB 0.196 30.011 29.700 0.190 0.000 0.744 370 E HN 0.510 nan 8.360 nan 0.000 0.451 371 S N 0.240 115.996 115.700 0.094 0.000 2.365 371 S HA -0.207 4.264 4.470 0.001 0.000 0.225 371 S C 1.535 176.181 174.600 0.076 0.000 1.039 371 S CA 1.541 59.788 58.200 0.077 0.000 1.033 371 S CB -0.567 62.682 63.200 0.082 0.000 0.887 371 S HN 0.431 nan 8.310 nan 0.000 0.447 372 F N 2.608 122.540 119.950 -0.031 0.000 2.113 372 F HA -0.132 4.395 4.527 0.000 0.000 0.297 372 F C 2.430 178.182 175.800 -0.079 0.000 1.103 372 F CA 1.797 59.770 58.000 -0.044 0.000 1.248 372 F CB -1.232 37.745 39.000 -0.039 0.000 0.999 372 F HN 0.119 nan 8.300 nan 0.000 0.475 373 T N 0.583 114.986 114.554 -0.252 0.000 2.699 373 T HA -0.208 4.142 4.350 0.001 0.000 0.268 373 T C 1.742 176.169 174.700 -0.456 0.000 1.036 373 T CA 1.561 63.380 62.100 -0.467 0.000 1.147 373 T CB -0.376 68.150 68.868 -0.571 0.000 0.862 373 T HN 0.265 nan 8.240 nan 0.000 0.446 374 E N 1.041 121.080 120.200 -0.268 0.000 2.048 374 E HA -0.128 4.222 4.350 0.001 0.000 0.202 374 E C 2.276 178.779 176.600 -0.162 0.000 1.021 374 E CA 1.190 57.512 56.400 -0.131 0.000 0.825 374 E CB -0.537 29.144 29.700 -0.031 0.000 0.756 374 E HN 0.552 nan 8.360 nan 0.000 0.454 375 I N 0.914 121.370 120.570 -0.189 0.000 2.142 375 I HA -0.288 3.882 4.170 0.001 0.000 0.240 375 I C 2.683 178.656 176.117 -0.240 0.000 1.078 375 I CA 0.849 62.044 61.300 -0.175 0.000 1.343 375 I CB -0.463 37.452 38.000 -0.142 0.000 1.046 375 I HN 0.040 nan 8.210 nan 0.000 0.405 376 L N 0.344 121.317 121.223 -0.416 0.000 2.034 376 L HA -0.304 4.036 4.340 0.001 0.000 0.217 376 L C 2.650 179.381 176.870 -0.232 0.000 1.077 376 L CA 1.681 56.284 54.840 -0.396 0.000 0.769 376 L CB -0.554 41.174 42.059 -0.553 0.000 0.890 376 L HN 0.306 nan 8.230 nan 0.000 0.435 377 L N -0.700 120.395 121.223 -0.213 0.000 1.943 377 L HA -0.264 4.076 4.340 0.001 0.000 0.215 377 L C 2.849 179.644 176.870 -0.124 0.000 1.074 377 L CA 2.289 57.046 54.840 -0.139 0.000 0.759 377 L CB -0.919 41.076 42.059 -0.108 0.000 0.888 377 L HN 0.502 nan 8.230 nan 0.000 0.433 378 T N -2.432 112.049 114.554 -0.122 0.000 2.760 378 T HA -0.317 4.034 4.350 0.001 0.000 0.269 378 T C 1.713 176.353 174.700 -0.100 0.000 1.047 378 T CA 1.827 63.859 62.100 -0.113 0.000 1.139 378 T CB -0.398 68.417 68.868 -0.089 0.000 0.855 378 T HN 0.239 nan 8.240 nan 0.000 0.471 379 M N 0.280 119.823 119.600 -0.095 0.000 2.132 379 M HA 0.139 4.620 4.480 0.001 0.000 0.263 379 M C 2.476 178.748 176.300 -0.046 0.000 1.065 379 M CA 1.496 56.756 55.300 -0.068 0.000 1.122 379 M CB -0.488 32.062 32.600 -0.083 0.000 1.365 379 M HN 0.239 nan 8.290 nan 0.000 0.411 380 I N 0.079 120.620 120.570 -0.048 0.000 2.248 380 I HA -0.266 3.904 4.170 0.001 0.000 0.248 380 I C 1.007 177.191 176.117 0.111 0.000 1.107 380 I CA 1.226 62.540 61.300 0.023 0.000 1.373 380 I CB -0.348 37.671 38.000 0.032 0.000 1.055 380 I HN 0.287 nan 8.210 nan 0.000 0.418 381 K N 0.566 120.934 120.400 -0.053 0.000 2.179 381 K HA 0.324 4.645 4.320 0.001 0.000 0.238 381 K C 0.338 176.895 176.600 -0.072 0.000 1.033 381 K CA 0.182 56.321 56.287 -0.247 0.000 0.926 381 K CB 0.738 32.891 32.500 -0.578 0.000 1.151 381 K HN 0.231 nan 8.250 nan 0.000 0.492 382 S N -0.473 115.190 115.700 -0.062 0.000 3.024 382 S HA -0.199 4.272 4.470 0.001 0.000 0.819 382 S C 0.748 175.385 174.600 0.061 0.000 0.863 382 S CA 0.737 58.937 58.200 -0.000 0.000 1.423 382 S CB -1.113 62.072 63.200 -0.025 0.000 1.032 382 S HN 0.911 nan 8.310 nan 0.000 0.510 383 Q N 3.937 123.784 119.800 0.078 0.000 1.906 383 Q HA -0.318 4.023 4.340 0.001 0.000 0.221 383 Q C 1.910 177.967 176.000 0.095 0.000 1.021 383 Q CA 2.590 58.444 55.803 0.086 0.000 0.880 383 Q CB -0.349 28.430 28.738 0.068 0.000 0.966 383 Q HN 0.913 nan 8.270 nan 0.000 0.418 384 K N -1.077 119.371 120.400 0.080 0.000 2.805 384 K HA -0.282 4.039 4.320 0.001 0.000 0.196 384 K C 1.660 178.393 176.600 0.222 0.000 0.828 384 K CA 2.506 58.849 56.287 0.094 0.000 0.918 384 K CB -0.753 31.785 32.500 0.063 0.000 1.449 384 K HN 0.441 nan 8.250 nan 0.000 0.571 385 M N 1.310 121.036 119.600 0.211 0.000 2.691 385 M HA 0.005 4.486 4.480 0.001 0.000 0.227 385 M C 1.391 177.726 176.300 0.057 0.000 1.120 385 M CA 0.951 56.372 55.300 0.202 0.000 1.034 385 M CB -0.780 31.841 32.600 0.036 0.000 1.675 385 M HN 0.228 nan 8.290 nan 0.000 0.514 386 T N 0.446 115.116 114.554 0.193 0.000 2.699 386 T HA -0.196 4.155 4.350 0.001 0.000 0.268 386 T C 1.687 176.442 174.700 0.091 0.000 1.036 386 T CA 2.048 64.216 62.100 0.114 0.000 1.147 386 T CB -0.622 68.315 68.868 0.114 0.000 0.862 386 T HN 0.544 nan 8.240 nan 0.000 0.446 387 H N 1.143 120.230 119.070 0.027 0.000 2.394 387 H HA -0.114 4.442 4.556 0.000 0.000 0.297 387 H C 2.000 177.353 175.328 0.042 0.000 1.113 387 H CA 1.634 57.700 56.048 0.030 0.000 1.277 387 H CB -1.520 28.257 29.762 0.025 0.000 1.370 387 H HN 0.642 nan 8.280 nan 0.000 0.506 388 C N -0.248 118.748 119.300 -0.507 0.000 2.638 388 C HA 0.510 4.971 4.460 0.001 0.000 0.282 388 C C 2.077 176.968 174.990 -0.165 0.000 1.473 388 C CA -0.921 57.911 59.018 -0.310 0.000 1.781 388 C CB -1.500 25.987 27.740 -0.423 0.000 2.780 388 C HN 0.323 nan 8.230 nan 0.000 0.531 389 L N 1.158 122.331 121.223 -0.083 0.000 2.005 389 L HA -0.003 4.337 4.340 0.001 0.000 0.207 389 L C 2.456 179.305 176.870 -0.034 0.000 1.072 389 L CA 2.098 56.913 54.840 -0.042 0.000 0.744 389 L CB -1.108 40.950 42.059 -0.001 0.000 0.895 389 L HN 0.544 nan 8.230 nan 0.000 0.433 390 Y N 0.160 120.418 120.300 -0.070 0.000 2.228 390 Y HA -0.239 4.315 4.550 0.007 0.000 0.285 390 Y C 2.094 177.948 175.900 -0.078 0.000 1.178 390 Y CA 1.930 59.991 58.100 -0.066 0.000 1.202 390 Y CB -0.763 37.663 38.460 -0.057 0.000 0.974 390 Y HN 0.212 nan 8.280 nan 0.000 0.527 391 G N -0.226 108.434 108.800 -0.234 0.000 2.396 391 G HA2 -0.145 3.815 3.960 0.001 0.000 0.214 391 G HA3 -0.145 3.815 3.960 0.001 0.000 0.214 391 G C 1.657 176.406 174.900 -0.251 0.000 1.166 391 G CA 0.762 45.685 45.100 -0.294 0.000 0.793 391 G HN 0.447 nan 8.290 nan 0.000 0.533 392 L N -0.042 121.075 121.223 -0.177 0.000 2.083 392 L HA 0.026 4.366 4.340 0.001 0.000 0.209 392 L C 2.727 179.509 176.870 -0.146 0.000 1.083 392 L CA 0.588 55.344 54.840 -0.139 0.000 0.752 392 L CB -0.255 41.739 42.059 -0.109 0.000 0.899 392 L HN 0.167 nan 8.230 nan 0.000 0.433 393 L N -1.346 119.769 121.223 -0.180 0.000 2.395 393 L HA -0.098 4.242 4.340 0.001 0.000 0.218 393 L C 2.205 178.942 176.870 -0.221 0.000 1.130 393 L CA 0.148 54.888 54.840 -0.167 0.000 0.826 393 L CB -0.039 41.932 42.059 -0.146 0.000 0.941 393 L HN 0.048 nan 8.230 nan 0.000 0.451 394 V N -0.254 119.456 119.914 -0.340 0.000 2.788 394 V HA -0.163 3.958 4.120 0.001 0.000 0.251 394 V C 2.138 178.124 176.094 -0.180 0.000 1.068 394 V CA 1.224 63.326 62.300 -0.329 0.000 1.090 394 V CB 0.085 31.603 31.823 -0.508 0.000 0.710 394 V HN 0.316 nan 8.190 nan 0.000 0.467 395 I N -0.884 119.601 120.570 -0.142 0.000 2.286 395 I HA -0.185 3.986 4.170 0.001 0.000 0.245 395 I C 2.446 178.549 176.117 -0.023 0.000 1.104 395 I CA 1.107 62.367 61.300 -0.067 0.000 1.397 395 I CB -0.285 37.692 38.000 -0.039 0.000 1.072 395 I HN 0.241 nan 8.210 nan 0.000 0.417 396 M N 0.432 120.021 119.600 -0.019 0.000 2.229 396 M HA -0.117 4.363 4.480 0.001 0.000 0.264 396 M C 2.496 178.832 176.300 0.061 0.000 1.063 396 M CA 1.564 56.894 55.300 0.051 0.000 1.114 396 M CB -1.173 31.439 32.600 0.021 0.000 1.387 396 M HN 0.273 nan 8.290 nan 0.000 0.420 397 A N 0.294 123.116 122.820 0.003 0.000 1.968 397 A HA -0.105 4.216 4.320 0.001 0.000 0.217 397 A C 1.952 179.551 177.584 0.024 0.000 1.169 397 A CA 1.277 53.322 52.037 0.013 0.000 0.638 397 A CB -0.452 18.531 19.000 -0.028 0.000 0.812 397 A HN 0.443 nan 8.150 nan 0.000 0.446 398 N N 0.171 118.870 118.700 -0.001 0.000 2.250 398 N HA 0.013 4.753 4.740 0.001 0.000 0.181 398 N C 1.604 177.108 175.510 -0.010 0.000 1.017 398 N CA 1.001 54.049 53.050 -0.003 0.000 0.866 398 N CB -0.400 38.077 38.487 -0.017 0.000 0.985 398 N HN 0.462 nan 8.380 nan 0.000 0.429 399 L N 0.895 122.102 121.223 -0.025 0.000 2.141 399 L HA -0.068 4.273 4.340 0.001 0.000 0.209 399 L C 2.078 178.918 176.870 -0.050 0.000 1.094 399 L CA 1.079 55.831 54.840 -0.148 0.000 0.763 399 L CB -0.390 41.491 42.059 -0.297 0.000 0.908 399 L HN 0.200 nan 8.230 nan 0.000 0.437 400 S N -2.720 113.066 115.700 0.142 0.000 2.528 400 S HA 0.009 4.480 4.470 0.001 0.000 0.219 400 S C 0.999 175.684 174.600 0.142 0.000 0.985 400 S CA -0.225 58.104 58.200 0.215 0.000 0.914 400 S CB -0.518 62.815 63.200 0.221 0.000 0.776 400 S HN 0.206 nan 8.310 nan 0.000 0.526 401 T N 3.246 117.860 114.554 0.100 0.000 2.867 401 T HA 0.346 4.697 4.350 0.001 0.000 0.297 401 T C -0.151 174.605 174.700 0.093 0.000 0.989 401 T CA 0.176 62.339 62.100 0.105 0.000 1.159 401 T CB 0.160 69.073 68.868 0.074 0.000 0.928 401 T HN 0.249 nan 8.240 nan 0.000 0.538 402 L N 5.231 126.520 121.223 0.110 0.000 2.358 402 L HA 0.499 4.839 4.340 0.001 0.000 0.268 402 L C -1.857 175.061 176.870 0.080 0.000 1.032 402 L CA -2.245 52.647 54.840 0.086 0.000 0.805 402 L CB 0.779 42.885 42.059 0.078 0.000 1.253 402 L HN 0.424 nan 8.230 nan 0.000 0.452 403 P HA 0.261 nan 4.420 nan 0.000 0.278 403 P C -1.350 175.984 177.300 0.057 0.000 1.238 403 P CA -0.468 62.664 63.100 0.052 0.000 0.794 403 P CB 0.816 32.539 31.700 0.038 0.000 0.955 404 E N 1.296 121.529 120.200 0.056 0.000 2.202 404 E HA 0.533 4.883 4.350 0.001 0.000 0.272 404 E C -0.493 176.131 176.600 0.040 0.000 0.951 404 E CA -0.293 56.141 56.400 0.057 0.000 0.813 404 E CB 1.044 30.782 29.700 0.064 0.000 1.151 404 E HN 0.353 nan 8.360 nan 0.000 0.398 426 A N -0.470 122.349 122.820 -0.002 0.000 2.119 426 A HA 0.530 4.850 4.320 0.001 0.000 0.216 426 A C 1.807 179.390 177.584 -0.001 0.000 1.152 426 A CA 1.831 53.867 52.037 -0.002 0.000 0.708 426 A CB -0.654 18.345 19.000 -0.001 0.000 0.805 426 A HN 2.182 nan 8.150 nan 0.000 0.460 427 A N -2.811 120.008 122.820 -0.002 0.000 3.009 427 A HA 0.227 4.547 4.320 0.001 0.000 0.264 427 A C 0.303 177.886 177.584 -0.001 0.000 1.408 427 A CA 1.790 53.826 52.037 -0.002 0.000 0.789 427 A CB -2.381 16.618 19.000 -0.002 0.000 1.040 427 A HN 2.204 nan 8.150 nan 0.000 0.576 428 D N -0.950 119.450 120.400 -0.000 0.000 2.746 428 D HA 0.709 5.349 4.640 0.001 0.000 0.211 428 D C 0.348 176.649 176.300 0.001 0.000 1.242 428 D CA 0.516 54.516 54.000 0.000 0.000 0.790 428 D CB 0.372 41.172 40.800 0.000 0.000 1.744 428 D HN 1.523 nan 8.370 nan 0.000 0.520 429 K N -0.078 120.326 120.400 0.007 0.000 3.428 429 K HA -0.299 4.022 4.320 0.001 0.000 0.297 429 K C 1.119 177.724 176.600 0.008 0.000 1.160 429 K CA 2.294 58.586 56.287 0.008 0.000 1.012 429 K CB -1.235 31.270 32.500 0.009 0.000 1.369 429 K HN 0.697 nan 8.250 nan 0.000 0.405 430 V N -0.462 119.456 119.914 0.006 0.000 3.490 430 V HA 0.106 4.227 4.120 0.001 0.000 0.315 430 V C 1.580 177.677 176.094 0.005 0.000 1.284 430 V CA 1.085 63.389 62.300 0.006 0.000 1.233 430 V CB 0.499 32.325 31.823 0.004 0.000 1.101 430 V HN 0.525 nan 8.190 nan 0.000 0.425 431 G N -0.593 108.211 108.800 0.006 0.000 2.599 431 G HA2 0.232 4.192 3.960 0.001 0.000 0.196 431 G HA3 0.232 4.192 3.960 0.001 0.000 0.196 431 G C 1.385 176.289 174.900 0.008 0.000 1.148 431 G CA 0.789 45.893 45.100 0.006 0.000 0.809 431 G HN 0.455 nan 8.290 nan 0.000 0.764 432 A N 1.133 123.958 122.820 0.009 0.000 1.968 432 A HA 0.159 4.479 4.320 0.001 0.000 0.217 432 A C 1.959 179.550 177.584 0.013 0.000 1.169 432 A CA 1.764 53.807 52.037 0.011 0.000 0.638 432 A CB -0.175 18.831 19.000 0.011 0.000 0.812 432 A HN 0.377 nan 8.150 nan 0.000 0.446 433 E N -0.465 119.742 120.200 0.012 0.000 2.122 433 E HA -0.093 4.257 4.350 0.001 0.000 0.190 433 E C 1.940 178.548 176.600 0.013 0.000 0.977 433 E CA 0.892 57.300 56.400 0.014 0.000 0.820 433 E CB -0.089 29.619 29.700 0.013 0.000 0.770 433 E HN 0.609 nan 8.360 nan 0.000 0.462 434 K N 0.777 121.183 120.400 0.010 0.000 2.360 434 K HA -0.100 4.221 4.320 0.001 0.000 0.201 434 K C 1.718 178.325 176.600 0.011 0.000 1.046 434 K CA 1.038 57.329 56.287 0.007 0.000 0.945 434 K CB 0.071 32.573 32.500 0.003 0.000 0.750 434 K HN 0.083 nan 8.250 nan 0.000 0.464 435 A N 0.479 123.307 122.820 0.014 0.000 1.924 435 A HA 0.213 4.533 4.320 0.001 0.000 0.211 435 A C 2.209 179.808 177.584 0.024 0.000 1.198 435 A CA 0.811 52.859 52.037 0.018 0.000 0.657 435 A CB -0.412 18.597 19.000 0.016 0.000 0.852 435 A HN 0.355 nan 8.150 nan 0.000 0.454 436 A N 0.339 123.172 122.820 0.022 0.000 1.873 436 A HA -0.140 4.181 4.320 0.001 0.000 0.215 436 A C 2.090 179.693 177.584 0.032 0.000 1.186 436 A CA 1.986 54.038 52.037 0.025 0.000 0.616 436 A CB -0.560 18.451 19.000 0.019 0.000 0.823 436 A HN 0.489 nan 8.150 nan 0.000 0.442 437 K N -0.398 120.020 120.400 0.029 0.000 2.089 437 K HA -0.290 4.030 4.320 0.001 0.000 0.210 437 K C 1.998 178.627 176.600 0.048 0.000 1.048 437 K CA 2.067 58.375 56.287 0.035 0.000 0.926 437 K CB -0.122 32.391 32.500 0.022 0.000 0.714 437 K HN 0.458 nan 8.250 nan 0.000 0.448 438 E N 1.225 121.450 120.200 0.042 0.000 2.072 438 E HA -0.175 4.175 4.350 0.001 0.000 0.191 438 E C 1.208 177.856 176.600 0.081 0.000 0.985 438 E CA 1.918 58.349 56.400 0.052 0.000 0.801 438 E CB -0.197 29.524 29.700 0.036 0.000 0.750 438 E HN 0.306 nan 8.360 nan 0.000 0.452 439 D N -0.287 120.157 120.400 0.074 0.000 2.351 439 D HA -0.112 4.529 4.640 0.001 0.000 0.216 439 D C 1.661 178.044 176.300 0.139 0.000 0.968 439 D CA 0.765 54.822 54.000 0.094 0.000 0.899 439 D CB 0.005 40.842 40.800 0.063 0.000 0.907 439 D HN 0.389 nan 8.370 nan 0.000 0.514 440 I N -0.284 120.366 120.570 0.133 0.000 2.628 440 I HA -0.102 4.068 4.170 0.001 0.000 0.255 440 I C 2.205 178.475 176.117 0.255 0.000 1.119 440 I CA 0.089 61.498 61.300 0.181 0.000 1.448 440 I CB 0.125 38.197 38.000 0.120 0.000 1.133 440 I HN -0.037 nan 8.210 nan 0.000 0.438 441 L N 0.706 122.059 121.223 0.217 0.000 2.042 441 L HA -0.235 4.106 4.340 0.001 0.000 0.210 441 L C 2.600 179.643 176.870 0.288 0.000 1.076 441 L CA 1.865 56.890 54.840 0.308 0.000 0.749 441 L CB -0.740 41.436 42.059 0.195 0.000 0.893 441 L HN 0.331 nan 8.230 nan 0.000 0.432 442 L N -1.235 120.108 121.223 0.200 0.000 2.017 442 L HA -0.289 4.052 4.340 0.001 0.000 0.208 442 L C 2.557 179.498 176.870 0.118 0.000 1.073 442 L CA 1.441 56.363 54.840 0.136 0.000 0.745 442 L CB -0.386 41.745 42.059 0.120 0.000 0.894 442 L HN 0.094 nan 8.230 nan 0.000 0.432 443 F N 0.832 120.830 119.950 0.079 0.000 2.051 443 F HA -0.283 4.243 4.527 -0.001 0.000 0.296 443 F C 2.360 178.208 175.800 0.079 0.000 1.122 443 F CA 1.917 60.004 58.000 0.145 0.000 1.201 443 F CB -0.443 38.656 39.000 0.164 0.000 0.978 443 F HN 0.134 nan 8.300 nan 0.000 0.472 444 N N 0.676 119.472 118.700 0.160 0.000 2.132 444 N HA -0.264 4.476 4.740 0.001 0.000 0.191 444 N C 1.717 177.000 175.510 -0.378 0.000 1.015 444 N CA 1.954 54.967 53.050 -0.062 0.000 0.864 444 N CB -0.598 37.924 38.487 0.059 0.000 1.006 444 N HN 0.756 nan 8.380 nan 0.000 0.430 445 E N 0.185 120.136 120.200 -0.415 0.000 2.190 445 E HA -0.024 4.326 4.350 0.001 0.000 0.191 445 E C 1.824 178.181 176.600 -0.405 0.000 0.978 445 E CA 0.584 56.668 56.400 -0.526 0.000 0.839 445 E CB -0.076 29.367 29.700 -0.429 0.000 0.787 445 E HN 0.189 nan 8.360 nan 0.000 0.473 446 K N -0.416 119.718 120.400 -0.443 0.000 2.155 446 K HA -0.110 4.211 4.320 0.001 0.000 0.203 446 K C 0.768 176.857 176.600 -0.852 0.000 1.052 446 K CA 1.303 57.198 56.287 -0.653 0.000 0.948 446 K CB 0.051 32.058 32.500 -0.822 0.000 0.728 446 K HN 0.225 nan 8.250 nan 0.000 0.448 447 Y N -1.079 118.956 120.300 -0.441 0.000 2.467 447 Y HA 0.245 4.795 4.550 0.000 0.000 0.259 447 Y C 1.556 177.247 175.900 -0.349 0.000 1.084 447 Y CA -0.251 57.589 58.100 -0.433 0.000 1.275 447 Y CB 0.470 38.534 38.460 -0.660 0.000 1.208 447 Y HN -0.074 nan 8.280 nan 0.000 0.511 448 I N -1.117 119.306 120.570 -0.245 0.000 2.810 448 I HA -0.092 4.079 4.170 0.001 0.000 0.262 448 I C 1.647 177.649 176.117 -0.193 0.000 1.131 448 I CA 0.766 61.954 61.300 -0.186 0.000 1.453 448 I CB -0.005 37.888 38.000 -0.179 0.000 1.161 448 I HN 0.103 nan 8.210 nan 0.000 0.444 449 L N 0.308 121.365 121.223 -0.276 0.000 2.062 449 L HA -0.013 4.327 4.340 0.001 0.000 0.202 449 L C 2.740 179.501 176.870 -0.182 0.000 1.079 449 L CA 0.927 55.619 54.840 -0.245 0.000 0.755 449 L CB -0.611 41.236 42.059 -0.354 0.000 0.913 449 L HN 0.104 nan 8.230 nan 0.000 0.445 450 R N 0.396 120.772 120.500 -0.206 0.000 2.103 450 R HA -0.191 4.150 4.340 0.001 0.000 0.242 450 R C 1.811 178.031 176.300 -0.133 0.000 1.142 450 R CA 2.039 58.041 56.100 -0.163 0.000 0.960 450 R CB -0.353 29.831 30.300 -0.193 0.000 0.858 450 R HN 0.480 nan 8.270 nan 0.000 0.439 451 T N -1.186 113.284 114.554 -0.141 0.000 3.380 451 T HA 0.075 4.425 4.350 0.001 0.000 0.250 451 T C -0.141 174.513 174.700 -0.076 0.000 1.082 451 T CA 0.292 62.330 62.100 -0.103 0.000 0.968 451 T CB -0.349 68.465 68.868 -0.091 0.000 1.027 451 T HN 0.431 nan 8.240 nan 0.000 0.575 452 E N -0.345 119.813 120.200 -0.070 0.000 2.257 452 E HA -0.229 4.121 4.350 0.001 0.000 0.224 452 E C 0.767 177.373 176.600 0.010 0.000 1.286 452 E CA 0.212 56.591 56.400 -0.035 0.000 0.716 452 E CB -1.359 28.327 29.700 -0.023 0.000 1.159 452 E HN 0.423 nan 8.360 nan 0.000 0.367 453 L N 0.085 121.309 121.223 0.002 0.000 2.083 453 L HA -0.162 4.178 4.340 0.001 0.000 0.209 453 L C 1.891 178.815 176.870 0.089 0.000 1.083 453 L CA 1.631 56.513 54.840 0.071 0.000 0.752 453 L CB -0.085 41.990 42.059 0.027 0.000 0.899 453 L HN 0.317 nan 8.230 nan 0.000 0.433 454 I N -1.271 119.311 120.570 0.021 0.000 2.202 454 I HA -0.229 3.942 4.170 0.001 0.000 0.242 454 I C 2.655 178.782 176.117 0.017 0.000 1.091 454 I CA 1.443 62.744 61.300 0.001 0.000 1.368 454 I CB -1.675 36.312 38.000 -0.022 0.000 1.058 454 I HN 0.293 nan 8.210 nan 0.000 0.410 455 S N 0.701 116.422 115.700 0.035 0.000 2.374 455 S HA -0.239 4.231 4.470 0.001 0.000 0.227 455 S C 2.011 176.674 174.600 0.105 0.000 1.037 455 S CA 1.517 59.746 58.200 0.049 0.000 1.024 455 S CB -0.433 62.793 63.200 0.043 0.000 0.861 455 S HN 0.414 nan 8.310 nan 0.000 0.456 456 F N 2.003 121.937 119.950 -0.028 0.000 2.128 456 F HA 0.125 4.655 4.527 0.005 0.000 0.295 456 F C 1.768 177.558 175.800 -0.017 0.000 1.100 456 F CA 1.179 59.166 58.000 -0.022 0.000 1.260 456 F CB -0.631 38.350 39.000 -0.031 0.000 1.009 456 F HN 0.157 nan 8.300 nan 0.000 0.476 457 L N 0.332 121.435 121.223 -0.201 0.000 2.191 457 L HA -0.217 4.123 4.340 0.001 0.000 0.212 457 L C 2.539 179.287 176.870 -0.203 0.000 1.103 457 L CA 1.550 56.203 54.840 -0.313 0.000 0.769 457 L CB -0.790 41.178 42.059 -0.153 0.000 0.908 457 L HN 0.191 nan 8.230 nan 0.000 0.438 458 K N 1.239 121.578 120.400 -0.101 0.000 2.026 458 K HA -0.155 4.166 4.320 0.001 0.000 0.208 458 K C 1.857 178.439 176.600 -0.030 0.000 1.048 458 K CA 1.251 57.509 56.287 -0.050 0.000 0.929 458 K CB 0.053 32.540 32.500 -0.021 0.000 0.713 458 K HN 0.272 nan 8.250 nan 0.000 0.439 459 R N 0.223 120.704 120.500 -0.032 0.000 2.328 459 R HA 0.039 4.379 4.340 0.001 0.000 0.206 459 R C 0.651 176.960 176.300 0.015 0.000 0.990 459 R CA 0.325 56.442 56.100 0.029 0.000 1.085 459 R CB 0.225 30.569 30.300 0.074 0.000 0.998 459 R HN 0.216 nan 8.270 nan 0.000 0.484 460 E N -0.557 119.558 120.200 -0.142 0.000 2.603 460 E HA 0.053 4.403 4.350 0.001 0.000 0.218 460 E C 1.030 177.455 176.600 -0.292 0.000 0.878 460 E CA -0.081 56.126 56.400 -0.321 0.000 1.348 460 E CB 0.178 29.519 29.700 -0.600 0.000 1.318 460 E HN 0.062 nan 8.360 nan 0.000 0.673 461 M N 2.079 121.616 119.600 -0.104 0.000 2.413 461 M HA -0.191 4.289 4.480 0.001 0.000 0.258 461 M C 1.849 178.156 176.300 0.012 0.000 1.081 461 M CA 1.608 56.883 55.300 -0.041 0.000 1.047 461 M CB -0.514 32.092 32.600 0.011 0.000 1.390 461 M HN 0.231 nan 8.290 nan 0.000 0.438 462 H N -2.812 116.231 119.070 -0.045 0.000 2.451 462 H HA 0.200 4.755 4.556 -0.002 0.000 0.294 462 H C 1.017 176.335 175.328 -0.017 0.000 1.028 462 H CA 0.926 56.962 56.048 -0.020 0.000 1.349 462 H CB -0.941 28.812 29.762 -0.016 0.000 1.444 462 H HN 0.385 nan 8.280 nan 0.000 0.538 463 N N 1.103 119.419 118.700 -0.640 0.000 2.571 463 N HA 0.013 4.753 4.740 0.001 0.000 0.189 463 N C -0.167 175.237 175.510 -0.178 0.000 1.154 463 N CA 0.145 52.980 53.050 -0.359 0.000 0.907 463 N CB 0.375 38.607 38.487 -0.425 0.000 0.977 463 N HN 0.180 nan 8.380 nan 0.000 0.449 464 L N 1.164 122.301 121.223 -0.144 0.000 2.312 464 L HA 0.152 4.493 4.340 0.001 0.000 0.281 464 L C 0.821 177.680 176.870 -0.019 0.000 1.070 464 L CA -0.450 54.347 54.840 -0.071 0.000 0.805 464 L CB 1.271 43.287 42.059 -0.071 0.000 1.174 464 L HN -0.006 nan 8.230 nan 0.000 0.434 465 S N 2.709 118.409 115.700 -0.001 0.000 2.576 465 S HA 0.172 4.642 4.470 0.001 0.000 0.272 465 S C -1.923 172.693 174.600 0.027 0.000 1.352 465 S CA -0.828 57.376 58.200 0.006 0.000 1.021 465 S CB 0.029 63.223 63.200 -0.008 0.000 0.887 465 S HN 0.513 nan 8.310 nan 0.000 0.542 466 P HA 0.011 nan 4.420 nan 0.000 0.236 466 P C 0.327 177.670 177.300 0.071 0.000 1.172 466 P CA 0.946 64.082 63.100 0.060 0.000 0.759 466 P CB -0.182 31.542 31.700 0.041 0.000 0.843 467 N N -2.124 116.604 118.700 0.046 0.000 2.428 467 N HA -0.034 4.707 4.740 0.001 0.000 0.181 467 N C 1.205 176.841 175.510 0.209 0.000 1.028 467 N CA 0.322 53.425 53.050 0.089 0.000 0.877 467 N CB -0.322 38.091 38.487 -0.123 0.000 1.064 467 N HN 0.068 nan 8.380 nan 0.000 0.434 468 C N 1.673 121.092 119.300 0.197 0.000 2.410 468 C HA -0.025 4.436 4.460 0.001 0.000 0.281 468 C C 2.446 177.456 174.990 0.033 0.000 1.318 468 C CA 0.772 59.871 59.018 0.136 0.000 1.776 468 C CB -0.793 26.992 27.740 0.076 0.000 1.942 468 C HN 0.400 nan 8.230 nan 0.000 0.508 469 K N 0.375 120.797 120.400 0.038 0.000 2.026 469 K HA -0.170 4.151 4.320 0.001 0.000 0.208 469 K C 2.260 178.801 176.600 -0.099 0.000 1.048 469 K CA 1.420 57.708 56.287 0.002 0.000 0.929 469 K CB -0.165 32.401 32.500 0.110 0.000 0.713 469 K HN 0.606 nan 8.250 nan 0.000 0.439 470 Q N 0.001 119.771 119.800 -0.051 0.000 2.167 470 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 470 Q C 2.062 177.996 176.000 -0.109 0.000 0.970 470 Q CA 0.875 56.605 55.803 -0.122 0.000 0.855 470 Q CB 0.043 28.781 28.738 0.001 0.000 0.911 470 Q HN 0.264 nan 8.270 nan 0.000 0.438 471 Q N 0.230 119.996 119.800 -0.057 0.000 2.119 471 Q HA -0.093 4.248 4.340 0.001 0.000 0.201 471 Q C 2.339 178.290 176.000 -0.083 0.000 0.972 471 Q CA 0.995 56.752 55.803 -0.076 0.000 0.847 471 Q CB -0.466 28.207 28.738 -0.108 0.000 0.903 471 Q HN 0.255 nan 8.270 nan 0.000 0.433 472 V N 0.519 120.375 119.914 -0.096 0.000 2.287 472 V HA -0.220 3.901 4.120 0.001 0.000 0.248 472 V C 2.486 178.512 176.094 -0.113 0.000 1.053 472 V CA 1.542 63.783 62.300 -0.098 0.000 1.027 472 V CB -0.752 31.006 31.823 -0.109 0.000 0.646 472 V HN 0.103 nan 8.190 nan 0.000 0.447 473 V N -0.164 119.630 119.914 -0.200 0.000 2.469 473 V HA -0.270 3.850 4.120 0.001 0.000 0.251 473 V C 2.554 178.607 176.094 -0.068 0.000 1.064 473 V CA 2.043 64.210 62.300 -0.220 0.000 1.066 473 V CB -0.856 30.688 31.823 -0.465 0.000 0.667 473 V HN 0.484 nan 8.190 nan 0.000 0.461 474 R N -0.462 120.004 120.500 -0.057 0.000 2.090 474 R HA 0.019 4.359 4.340 0.001 0.000 0.228 474 R C 2.265 178.618 176.300 0.087 0.000 1.110 474 R CA 1.326 57.439 56.100 0.023 0.000 0.973 474 R CB -0.296 29.992 30.300 -0.021 0.000 0.869 474 R HN 0.443 nan 8.270 nan 0.000 0.440 475 I N 0.824 121.411 120.570 0.029 0.000 2.142 475 I HA -0.290 3.880 4.170 0.001 0.000 0.240 475 I C 2.333 178.476 176.117 0.044 0.000 1.078 475 I CA 1.389 62.711 61.300 0.037 0.000 1.343 475 I CB -0.343 37.658 38.000 0.002 0.000 1.046 475 I HN 0.123 nan 8.210 nan 0.000 0.405 476 I N 0.045 120.628 120.570 0.022 0.000 2.194 476 I HA -0.366 3.804 4.170 0.001 0.000 0.246 476 I C 2.730 178.876 176.117 0.049 0.000 1.093 476 I CA 1.919 63.231 61.300 0.020 0.000 1.355 476 I CB -0.671 37.327 38.000 -0.003 0.000 1.046 476 I HN 0.273 nan 8.210 nan 0.000 0.413 477 Y N 2.761 123.053 120.300 -0.014 0.000 2.070 477 Y HA -0.309 4.243 4.550 0.003 0.000 0.280 477 Y C 2.429 178.350 175.900 0.035 0.000 1.148 477 Y CA 2.010 60.114 58.100 0.007 0.000 1.125 477 Y CB -0.457 37.999 38.460 -0.006 0.000 0.975 477 Y HN 0.186 nan 8.280 nan 0.000 0.492 478 N N 0.482 119.259 118.700 0.128 0.000 2.272 478 N HA -0.187 4.553 4.740 0.001 0.000 0.185 478 N C 1.698 177.222 175.510 0.023 0.000 1.014 478 N CA 1.663 54.757 53.050 0.073 0.000 0.870 478 N CB -0.307 38.272 38.487 0.154 0.000 0.975 478 N HN 0.419 nan 8.380 nan 0.000 0.433 479 I N 0.746 121.336 120.570 0.033 0.000 2.333 479 I HA -0.122 4.049 4.170 0.001 0.000 0.246 479 I C 2.100 178.270 176.117 0.088 0.000 1.106 479 I CA 1.226 62.592 61.300 0.110 0.000 1.411 479 I CB -1.826 36.202 38.000 0.048 0.000 1.082 479 I HN 0.202 nan 8.210 nan 0.000 0.420 480 T N -0.828 113.701 114.554 -0.042 0.000 3.077 480 T HA -0.102 4.249 4.350 0.001 0.000 0.269 480 T C 1.678 176.291 174.700 -0.145 0.000 1.146 480 T CA 0.531 62.584 62.100 -0.078 0.000 1.091 480 T CB -0.356 68.455 68.868 -0.094 0.000 0.892 480 T HN 0.199 nan 8.240 nan 0.000 0.533 481 R N 1.948 122.336 120.500 -0.187 0.000 2.316 481 R HA 0.069 4.410 4.340 0.001 0.000 0.202 481 R C 0.778 176.995 176.300 -0.140 0.000 1.029 481 R CA 0.599 56.594 56.100 -0.175 0.000 1.018 481 R CB -0.323 29.886 30.300 -0.153 0.000 0.888 481 R HN 0.670 nan 8.270 nan 0.000 0.471 482 S N -0.150 115.444 115.700 -0.177 0.000 2.664 482 S HA 0.212 4.682 4.470 0.001 0.000 0.262 482 S C 0.605 174.962 174.600 -0.405 0.000 1.229 482 S CA -0.980 57.020 58.200 -0.333 0.000 1.151 482 S CB 1.680 64.556 63.200 -0.540 0.000 1.054 482 S HN 0.200 nan 8.310 nan 0.000 0.483 483 K N 2.370 122.513 120.400 -0.429 0.000 2.455 483 K HA -0.214 4.106 4.320 0.001 0.000 0.200 483 K C 0.914 177.192 176.600 -0.537 0.000 1.045 483 K CA 1.636 57.523 56.287 -0.666 0.000 0.932 483 K CB -0.451 31.344 32.500 -1.174 0.000 0.754 483 K HN 0.473 nan 8.250 nan 0.000 0.486 484 N N -0.403 118.015 118.700 -0.471 0.000 2.422 484 N HA 0.011 4.751 4.740 0.001 0.000 0.181 484 N C 0.286 175.699 175.510 -0.163 0.000 1.080 484 N CA 0.629 53.466 53.050 -0.354 0.000 0.893 484 N CB 0.138 38.389 38.487 -0.394 0.000 0.973 484 N HN 0.227 nan 8.380 nan 0.000 0.456 485 F N 0.599 120.473 119.950 -0.126 0.000 2.749 485 F HA 0.329 4.856 4.527 -0.000 0.000 0.300 485 F C 1.960 177.711 175.800 -0.081 0.000 1.103 485 F CA -0.624 57.321 58.000 -0.091 0.000 1.342 485 F CB -0.374 38.578 39.000 -0.079 0.000 1.098 485 F HN -0.076 nan 8.300 nan 0.000 0.586 486 I N 0.817 121.424 120.570 0.062 0.000 2.394 486 I HA -0.170 4.000 4.170 0.001 0.000 0.251 486 I C -0.589 175.550 176.117 0.037 0.000 1.136 486 I CA 0.977 62.301 61.300 0.039 0.000 1.425 486 I CB -1.539 36.472 38.000 0.019 0.000 1.079 486 I HN 0.009 nan 8.210 nan 0.000 0.425 487 P HA -0.121 nan 4.420 nan 0.000 0.219 487 P C 1.583 178.893 177.300 0.016 0.000 1.150 487 P CA 1.234 64.347 63.100 0.022 0.000 0.814 487 P CB 0.041 31.751 31.700 0.016 0.000 0.787 488 Q N -0.955 118.861 119.800 0.025 0.000 2.083 488 Q HA -0.050 4.290 4.340 0.001 0.000 0.198 488 Q C 2.160 178.156 176.000 -0.007 0.000 0.969 488 Q CA 0.893 56.698 55.803 0.004 0.000 0.838 488 Q CB -0.649 28.087 28.738 -0.004 0.000 0.900 488 Q HN 0.231 nan 8.270 nan 0.000 0.436 489 L N 0.363 121.589 121.223 0.004 0.000 1.941 489 L HA -0.313 4.028 4.340 0.001 0.000 0.224 489 L C 2.520 179.382 176.870 -0.013 0.000 1.081 489 L CA 1.425 56.262 54.840 -0.006 0.000 0.784 489 L CB -0.785 41.281 42.059 0.011 0.000 0.894 489 L HN 0.275 nan 8.230 nan 0.000 0.436 490 A N -0.877 121.937 122.820 -0.010 0.000 1.894 490 A HA -0.373 3.948 4.320 0.001 0.000 0.220 490 A C 2.180 179.747 177.584 -0.030 0.000 1.237 490 A CA 2.424 54.444 52.037 -0.027 0.000 0.660 490 A CB -1.025 17.958 19.000 -0.027 0.000 0.835 490 A HN 0.619 nan 8.150 nan 0.000 0.461 491 Q N -0.606 119.182 119.800 -0.020 0.000 2.248 491 Q HA -0.228 4.113 4.340 0.001 0.000 0.208 491 Q C 1.752 177.741 176.000 -0.019 0.000 0.984 491 Q CA 2.041 57.832 55.803 -0.019 0.000 0.875 491 Q CB -0.168 28.562 28.738 -0.014 0.000 0.910 491 Q HN 0.860 nan 8.270 nan 0.000 0.433 492 Q N -1.812 117.976 119.800 -0.020 0.000 2.319 492 Q HA 0.155 4.495 4.340 0.001 0.000 0.202 492 Q C 0.533 176.522 176.000 -0.019 0.000 0.896 492 Q CA 0.421 56.214 55.803 -0.017 0.000 0.942 492 Q CB 0.803 29.530 28.738 -0.018 0.000 1.083 492 Q HN 0.541 nan 8.270 nan 0.000 0.510 493 G N 0.346 109.130 108.800 -0.027 0.000 2.131 493 G HA2 -0.283 3.678 3.960 0.001 0.000 0.201 493 G HA3 -0.283 3.678 3.960 0.001 0.000 0.201 493 G C 0.713 175.591 174.900 -0.036 0.000 1.000 493 G CA 0.157 45.236 45.100 -0.035 0.000 0.680 493 G HN 0.386 nan 8.290 nan 0.000 0.514 494 A N -0.390 122.411 122.820 -0.031 0.000 1.883 494 A HA 0.148 4.468 4.320 0.001 0.000 0.217 494 A C 2.592 180.162 177.584 -0.024 0.000 1.186 494 A CA 2.826 54.848 52.037 -0.026 0.000 0.624 494 A CB -0.609 18.381 19.000 -0.017 0.000 0.822 494 A HN 1.584 nan 8.150 nan 0.000 0.444 495 V N -0.065 119.829 119.914 -0.033 0.000 2.568 495 V HA -0.215 3.905 4.120 0.001 0.000 0.253 495 V C 2.349 178.429 176.094 -0.023 0.000 1.072 495 V CA 2.708 64.992 62.300 -0.027 0.000 1.084 495 V CB -0.561 31.212 31.823 -0.083 0.000 0.676 495 V HN 0.526 nan 8.190 nan 0.000 0.469 496 K N 0.249 120.617 120.400 -0.053 0.000 2.001 496 K HA -0.070 4.250 4.320 0.001 0.000 0.208 496 K C 1.998 178.569 176.600 -0.048 0.000 1.048 496 K CA 2.154 58.392 56.287 -0.082 0.000 0.932 496 K CB -0.540 31.911 32.500 -0.081 0.000 0.715 496 K HN 0.577 nan 8.250 nan 0.000 0.437 497 I N 1.539 122.092 120.570 -0.028 0.000 2.069 497 I HA -0.348 3.822 4.170 0.001 0.000 0.237 497 I C 2.325 178.457 176.117 0.025 0.000 1.053 497 I CA 1.119 62.414 61.300 -0.007 0.000 1.311 497 I CB -0.386 37.598 38.000 -0.026 0.000 1.030 497 I HN 0.092 nan 8.210 nan 0.000 0.398 498 I N 0.164 120.742 120.570 0.013 0.000 2.194 498 I HA -0.284 3.887 4.170 0.001 0.000 0.246 498 I C 2.557 178.687 176.117 0.021 0.000 1.093 498 I CA 1.602 62.920 61.300 0.031 0.000 1.355 498 I CB -1.249 36.758 38.000 0.012 0.000 1.046 498 I HN 0.256 nan 8.210 nan 0.000 0.413 499 L N 0.965 122.202 121.223 0.025 0.000 1.989 499 L HA -0.195 4.145 4.340 0.001 0.000 0.211 499 L C 2.527 179.428 176.870 0.052 0.000 1.071 499 L CA 1.813 56.688 54.840 0.059 0.000 0.749 499 L CB -0.962 41.202 42.059 0.176 0.000 0.890 499 L HN 0.322 nan 8.230 nan 0.000 0.431 500 E N -2.300 117.930 120.200 0.049 0.000 2.268 500 E HA -0.254 4.097 4.350 0.001 0.000 0.195 500 E C 1.890 178.528 176.600 0.063 0.000 0.995 500 E CA 0.979 57.416 56.400 0.061 0.000 0.836 500 E CB -0.187 29.531 29.700 0.030 0.000 0.763 500 E HN 0.553 nan 8.360 nan 0.000 0.491 501 Y N 1.344 121.612 120.300 -0.053 0.000 2.138 501 Y HA -0.093 4.463 4.550 0.010 0.000 0.286 501 Y C 1.993 177.843 175.900 -0.084 0.000 1.115 501 Y CA 1.122 59.189 58.100 -0.055 0.000 1.105 501 Y CB -0.415 38.006 38.460 -0.065 0.000 1.004 501 Y HN -0.136 nan 8.280 nan 0.000 0.494 502 L N 0.572 121.637 121.223 -0.264 0.000 2.270 502 L HA -0.280 4.060 4.340 0.001 0.000 0.217 502 L C 2.617 179.343 176.870 -0.240 0.000 1.107 502 L CA 1.249 55.801 54.840 -0.479 0.000 0.772 502 L CB -0.849 40.593 42.059 -1.029 0.000 0.902 502 L HN 0.447 nan 8.230 nan 0.000 0.439 503 A N -0.446 122.338 122.820 -0.061 0.000 1.929 503 A HA -0.145 4.175 4.320 0.001 0.000 0.216 503 A C 1.964 179.575 177.584 0.045 0.000 1.176 503 A CA 1.105 53.252 52.037 0.184 0.000 0.628 503 A CB -0.439 18.697 19.000 0.228 0.000 0.816 503 A HN 0.401 nan 8.150 nan 0.000 0.444 504 N N 0.414 119.064 118.700 -0.084 0.000 2.580 504 N HA -0.140 4.600 4.740 0.001 0.000 0.193 504 N C -0.366 175.096 175.510 -0.080 0.000 1.075 504 N CA 1.020 54.013 53.050 -0.096 0.000 0.921 504 N CB -0.465 37.920 38.487 -0.170 0.000 0.950 504 N HN 0.501 nan 8.380 nan 0.000 0.449 505 K N 0.078 120.438 120.400 -0.066 0.000 4.040 505 K HA -0.226 4.094 4.320 0.001 0.000 0.279 505 K C -0.434 176.136 176.600 -0.050 0.000 0.890 505 K CA 0.406 56.676 56.287 -0.028 0.000 0.782 505 K CB -1.200 31.306 32.500 0.009 0.000 1.613 505 K HN 0.439 nan 8.250 nan 0.000 0.440 506 Q N 0.682 120.426 119.800 -0.092 0.000 2.147 506 Q HA 0.075 4.415 4.340 0.001 0.000 0.287 506 Q C -1.106 174.875 176.000 -0.033 0.000 0.863 506 Q CA 0.003 55.770 55.803 -0.060 0.000 1.073 506 Q CB 0.643 29.341 28.738 -0.066 0.000 1.298 506 Q HN 0.579 nan 8.270 nan 0.000 0.411 507 D N -2.325 118.065 120.400 -0.016 0.000 4.090 507 D HA -0.013 4.628 4.640 0.001 0.000 0.202 507 D C 0.615 176.934 176.300 0.032 0.000 0.953 507 D CA -0.291 53.722 54.000 0.021 0.000 0.737 507 D CB -1.021 39.813 40.800 0.056 0.000 1.711 507 D HN 0.125 nan 8.370 nan 0.000 0.406 508 I N 1.107 121.694 120.570 0.028 0.000 2.161 508 I HA -0.254 3.916 4.170 0.001 0.000 0.246 508 I C 2.047 178.194 176.117 0.050 0.000 1.048 508 I CA 2.199 63.526 61.300 0.045 0.000 1.314 508 I CB -0.148 37.877 38.000 0.043 0.000 1.014 508 I HN 0.403 nan 8.210 nan 0.000 0.418 509 G N 1.305 110.129 108.800 0.041 0.000 3.678 509 G HA2 0.172 4.132 3.960 0.001 0.000 0.287 509 G HA3 0.172 4.132 3.960 0.001 0.000 0.287 509 G C 0.063 174.985 174.900 0.036 0.000 1.280 509 G CA -0.184 44.939 45.100 0.039 0.000 1.118 509 G HN 0.136 nan 8.290 nan 0.000 0.563 510 E N 0.003 120.228 120.200 0.041 0.000 2.244 510 E HA 0.259 4.609 4.350 0.001 0.000 0.266 510 E C -2.001 174.620 176.600 0.035 0.000 0.914 510 E CA -2.026 54.397 56.400 0.038 0.000 0.794 510 E CB 2.446 32.175 29.700 0.049 0.000 1.210 510 E HN -0.118 nan 8.360 nan 0.000 0.414 511 P HA -0.004 nan 4.420 nan 0.000 0.215 511 P C 1.353 178.644 177.300 -0.015 0.000 1.157 511 P CA 0.892 63.987 63.100 -0.008 0.000 0.863 511 P CB 0.204 31.887 31.700 -0.028 0.000 0.787 512 I N -0.899 119.667 120.570 -0.006 0.000 2.479 512 I HA -0.302 3.868 4.170 0.001 0.000 0.258 512 I C 2.641 178.798 176.117 0.066 0.000 1.165 512 I CA 1.380 62.676 61.300 -0.006 0.000 1.422 512 I CB -0.374 37.639 38.000 0.022 0.000 1.087 512 I HN -0.038 nan 8.210 nan 0.000 0.441 513 R N 1.126 121.696 120.500 0.116 0.000 2.055 513 R HA -0.112 4.228 4.340 0.001 0.000 0.226 513 R C 2.344 178.712 176.300 0.114 0.000 1.135 513 R CA 1.332 57.539 56.100 0.179 0.000 0.959 513 R CB -0.111 30.265 30.300 0.126 0.000 0.854 513 R HN 0.139 nan 8.270 nan 0.000 0.431 514 I N 1.352 121.965 120.570 0.071 0.000 2.315 514 I HA -0.273 3.898 4.170 0.001 0.000 0.251 514 I C 2.102 178.248 176.117 0.048 0.000 1.125 514 I CA 0.921 62.259 61.300 0.064 0.000 1.392 514 I CB -0.335 37.691 38.000 0.044 0.000 1.065 514 I HN 0.185 nan 8.210 nan 0.000 0.424 515 L N 0.399 121.610 121.223 -0.021 0.000 2.017 515 L HA -0.114 4.226 4.340 0.001 0.000 0.208 515 L C 2.518 179.441 176.870 0.088 0.000 1.073 515 L CA 2.187 56.963 54.840 -0.106 0.000 0.745 515 L CB -1.462 40.407 42.059 -0.315 0.000 0.894 515 L HN 0.309 nan 8.230 nan 0.000 0.432 516 G N -2.272 106.564 108.800 0.060 0.000 2.470 516 G HA2 -0.223 3.737 3.960 0.001 0.000 0.220 516 G HA3 -0.223 3.737 3.960 0.001 0.000 0.220 516 G C 1.587 176.542 174.900 0.093 0.000 1.121 516 G CA 0.951 46.094 45.100 0.072 0.000 0.766 516 G HN 0.469 nan 8.290 nan 0.000 0.553 517 C N -0.303 119.060 119.300 0.105 0.000 2.505 517 C HA 0.171 4.632 4.460 0.001 0.000 0.279 517 C C 2.910 177.979 174.990 0.132 0.000 1.316 517 C CA 0.189 59.273 59.018 0.110 0.000 1.720 517 C CB -0.542 27.276 27.740 0.128 0.000 2.050 517 C HN 0.459 nan 8.230 nan 0.000 0.493 518 R N 1.197 121.800 120.500 0.172 0.000 2.081 518 R HA -0.105 4.235 4.340 0.001 0.000 0.235 518 R C 2.347 178.747 176.300 0.167 0.000 1.131 518 R CA 1.602 57.824 56.100 0.203 0.000 0.960 518 R CB -0.535 29.976 30.300 0.351 0.000 0.856 518 R HN 0.544 nan 8.270 nan 0.000 0.436 519 A N 1.729 124.669 122.820 0.200 0.000 1.834 519 A HA -0.209 4.111 4.320 0.001 0.000 0.216 519 A C 2.155 179.786 177.584 0.080 0.000 1.203 519 A CA 1.400 53.500 52.037 0.105 0.000 0.621 519 A CB -0.858 18.214 19.000 0.121 0.000 0.841 519 A HN 0.267 nan 8.150 nan 0.000 0.446 520 L N -0.145 121.130 121.223 0.085 0.000 2.010 520 L HA -0.239 4.101 4.340 0.001 0.000 0.219 520 L C 2.506 179.432 176.870 0.093 0.000 1.077 520 L CA 3.104 57.998 54.840 0.089 0.000 0.773 520 L CB -1.128 40.993 42.059 0.104 0.000 0.892 520 L HN 0.469 nan 8.230 nan 0.000 0.436 521 T N -0.812 113.796 114.554 0.090 0.000 2.607 521 T HA -0.300 4.051 4.350 0.001 0.000 0.267 521 T C 1.973 176.693 174.700 0.034 0.000 1.049 521 T CA 1.883 64.016 62.100 0.056 0.000 1.162 521 T CB -0.388 68.507 68.868 0.043 0.000 0.863 521 T HN 0.288 nan 8.240 nan 0.000 0.424 522 R N 0.865 121.401 120.500 0.061 0.000 2.103 522 R HA -0.013 4.328 4.340 0.001 0.000 0.242 522 R C 2.384 178.781 176.300 0.161 0.000 1.142 522 R CA 1.652 57.815 56.100 0.106 0.000 0.960 522 R CB -0.467 29.895 30.300 0.103 0.000 0.858 522 R HN 0.462 nan 8.270 nan 0.000 0.439 523 M N -0.396 119.268 119.600 0.108 0.000 2.099 523 M HA -0.113 4.367 4.480 0.001 0.000 0.262 523 M C 2.099 178.437 176.300 0.063 0.000 1.067 523 M CA 1.441 56.804 55.300 0.106 0.000 1.124 523 M CB -0.356 32.275 32.600 0.051 0.000 1.353 523 M HN 0.137 nan 8.290 nan 0.000 0.410 524 L N 0.246 121.487 121.223 0.029 0.000 2.263 524 L HA -0.215 4.126 4.340 0.001 0.000 0.216 524 L C 2.266 179.099 176.870 -0.062 0.000 1.111 524 L CA 1.143 55.988 54.840 0.008 0.000 0.773 524 L CB -0.748 41.353 42.059 0.070 0.000 0.906 524 L HN 0.373 nan 8.230 nan 0.000 0.439 525 I N -1.372 119.106 120.570 -0.154 0.000 2.406 525 I HA -0.206 3.964 4.170 0.001 0.000 0.249 525 I C 0.950 176.751 176.117 -0.528 0.000 1.122 525 I CA 1.164 62.211 61.300 -0.422 0.000 1.431 525 I CB 0.034 37.602 38.000 -0.720 0.000 1.087 525 I HN 0.082 nan 8.210 nan 0.000 0.424 526 F N 1.092 121.026 119.950 -0.027 0.000 2.925 526 F HA 0.228 4.754 4.527 -0.000 0.000 0.302 526 F C 0.321 176.105 175.800 -0.026 0.000 1.189 526 F CA -0.332 57.652 58.000 -0.026 0.000 1.346 526 F CB -0.036 38.947 39.000 -0.029 0.000 0.954 526 F HN -0.097 nan 8.300 nan 0.000 0.506 527 T N -3.607 110.989 114.554 0.070 0.000 3.097 527 T HA 0.247 4.597 4.350 0.001 0.000 0.332 527 T C -0.813 173.883 174.700 -0.007 0.000 1.269 527 T CA -1.072 61.046 62.100 0.031 0.000 1.076 527 T CB 1.089 69.962 68.868 0.009 0.000 1.209 527 T HN -0.053 nan 8.240 nan 0.000 0.474 528 N N 3.432 122.132 118.700 -0.000 0.000 2.365 528 N HA 0.193 4.933 4.740 0.001 0.000 0.265 528 N C -1.529 173.976 175.510 -0.007 0.000 1.288 528 N CA -1.260 51.793 53.050 0.006 0.000 0.869 528 N CB 0.790 39.285 38.487 0.013 0.000 1.071 528 N HN 0.372 nan 8.380 nan 0.000 0.480 529 P HA -0.121 nan 4.420 nan 0.000 0.216 529 P C 1.015 178.386 177.300 0.117 0.000 1.150 529 P CA 1.126 64.294 63.100 0.114 0.000 0.843 529 P CB 0.101 31.933 31.700 0.220 0.000 0.787 530 G N -1.014 107.841 108.800 0.092 0.000 2.534 530 G HA2 -0.177 3.783 3.960 0.001 0.000 0.217 530 G HA3 -0.177 3.783 3.960 0.001 0.000 0.217 530 G C 1.338 176.266 174.900 0.048 0.000 1.128 530 G CA 0.178 45.332 45.100 0.088 0.000 0.784 530 G HN 0.209 nan 8.290 nan 0.000 0.542 531 L N -0.307 120.918 121.223 0.004 0.000 2.249 531 L HA 0.413 4.753 4.340 0.001 0.000 0.207 531 L C 2.274 179.105 176.870 -0.065 0.000 1.090 531 L CA 1.017 55.845 54.840 -0.019 0.000 0.802 531 L CB -0.139 41.906 42.059 -0.023 0.000 0.947 531 L HN 0.131 nan 8.230 nan 0.000 0.453 532 I N -1.878 118.597 120.570 -0.160 0.000 2.867 532 I HA -0.053 4.117 4.170 0.001 0.000 0.265 532 I C 0.776 176.662 176.117 -0.385 0.000 1.162 532 I CA 0.793 61.879 61.300 -0.357 0.000 1.471 532 I CB 0.158 37.782 38.000 -0.627 0.000 1.123 532 I HN 0.055 nan 8.210 nan 0.000 0.440 533 F N -0.113 119.894 119.950 0.094 0.000 2.668 533 F HA 0.274 4.800 4.527 -0.001 0.000 0.301 533 F C 1.708 177.575 175.800 0.111 0.000 1.106 533 F CA -0.665 57.416 58.000 0.135 0.000 1.289 533 F CB -0.623 38.450 39.000 0.122 0.000 1.006 533 F HN -0.201 nan 8.300 nan 0.000 0.535 534 K N 2.274 122.797 120.400 0.206 0.000 1.984 534 K HA -0.309 4.011 4.320 0.001 0.000 0.234 534 K C 2.006 178.701 176.600 0.159 0.000 0.986 534 K CA 2.912 59.285 56.287 0.144 0.000 1.041 534 K CB -0.216 32.337 32.500 0.090 0.000 0.708 534 K HN 0.353 nan 8.250 nan 0.000 0.493 535 K N -1.499 118.994 120.400 0.155 0.000 2.439 535 K HA -0.097 4.223 4.320 0.001 0.000 0.197 535 K C 0.407 177.145 176.600 0.231 0.000 1.041 535 K CA 0.516 56.895 56.287 0.152 0.000 0.970 535 K CB -0.131 32.440 32.500 0.117 0.000 0.773 535 K HN 0.192 nan 8.250 nan 0.000 0.479 536 Y N 1.653 122.030 120.300 0.129 0.000 2.453 536 Y HA 0.278 4.826 4.550 -0.002 0.000 0.326 536 Y C -0.224 175.714 175.900 0.063 0.000 1.186 536 Y CA -1.699 56.478 58.100 0.129 0.000 1.200 536 Y CB 1.811 40.417 38.460 0.244 0.000 1.247 536 Y HN -0.037 nan 8.280 nan 0.000 0.482 537 S N 2.700 118.136 115.700 -0.440 0.000 2.513 537 S HA 0.486 4.957 4.470 0.001 0.000 0.276 537 S C 0.835 174.981 174.600 -0.756 0.000 1.254 537 S CA -0.076 57.847 58.200 -0.461 0.000 1.053 537 S CB 0.733 63.673 63.200 -0.434 0.000 0.958 537 S HN 0.919 nan 8.310 nan 0.000 0.491 538 A N 5.567 127.909 122.820 -0.797 0.000 2.024 538 A HA -0.003 4.317 4.320 0.001 0.000 0.220 538 A C 1.993 179.158 177.584 -0.699 0.000 1.164 538 A CA 1.074 52.359 52.037 -1.253 0.000 0.643 538 A CB -0.668 17.969 19.000 -0.605 0.000 0.806 538 A HN 0.886 nan 8.150 nan 0.000 0.451 539 L N -0.077 120.843 121.223 -0.505 0.000 2.129 539 L HA -0.223 4.117 4.340 0.001 0.000 0.212 539 L C 1.895 178.527 176.870 -0.395 0.000 1.087 539 L CA 1.274 55.855 54.840 -0.432 0.000 0.757 539 L CB -0.750 41.005 42.059 -0.506 0.000 0.896 539 L HN 0.493 nan 8.230 nan 0.000 0.434 540 N N 0.121 118.561 118.700 -0.434 0.000 2.453 540 N HA -0.104 4.636 4.740 0.001 0.000 0.183 540 N C 1.720 177.182 175.510 -0.079 0.000 1.041 540 N CA 1.260 54.146 53.050 -0.274 0.000 0.900 540 N CB 0.144 38.432 38.487 -0.330 0.000 0.961 540 N HN 0.324 nan 8.380 nan 0.000 0.443 541 A N 0.657 123.452 122.820 -0.041 0.000 2.030 541 A HA 0.136 4.457 4.320 0.001 0.000 0.215 541 A C 2.213 179.861 177.584 0.107 0.000 1.164 541 A CA 0.013 52.196 52.037 0.243 0.000 0.697 541 A CB -0.151 19.035 19.000 0.310 0.000 0.827 541 A HN 0.090 nan 8.150 nan 0.000 0.457 542 I N 0.873 121.419 120.570 -0.040 0.000 2.163 542 I HA -0.174 3.997 4.170 0.001 0.000 0.243 542 I C -0.412 175.710 176.117 0.008 0.000 1.085 542 I CA 1.516 62.819 61.300 0.005 0.000 1.347 542 I CB -1.008 37.024 38.000 0.054 0.000 1.044 542 I HN 0.235 nan 8.210 nan 0.000 0.408 543 P HA -0.190 nan 4.420 nan 0.000 0.217 543 P C 1.523 178.808 177.300 -0.025 0.000 1.148 543 P CA 1.845 64.908 63.100 -0.061 0.000 0.828 543 P CB -0.208 31.333 31.700 -0.265 0.000 0.783 544 F N -0.521 119.525 119.950 0.160 0.000 2.206 544 F HA 0.011 4.536 4.527 -0.004 0.000 0.298 544 F C 2.576 178.436 175.800 0.100 0.000 1.090 544 F CA 0.609 58.690 58.000 0.135 0.000 1.323 544 F CB -1.755 37.321 39.000 0.128 0.000 1.028 544 F HN -0.240 nan 8.300 nan 0.000 0.492 545 L N -1.525 119.825 121.223 0.212 0.000 2.191 545 L HA -0.194 4.147 4.340 0.001 0.000 0.212 545 L C 2.112 178.922 176.870 -0.099 0.000 1.103 545 L CA 1.187 56.039 54.840 0.020 0.000 0.769 545 L CB -0.664 41.330 42.059 -0.108 0.000 0.908 545 L HN 0.089 nan 8.230 nan 0.000 0.438 546 F N 0.125 120.056 119.950 -0.032 0.000 2.456 546 F HA -0.081 4.445 4.527 -0.002 0.000 0.298 546 F C 2.269 178.109 175.800 0.066 0.000 1.104 546 F CA 0.674 58.660 58.000 -0.023 0.000 1.435 546 F CB -0.091 38.853 39.000 -0.094 0.000 1.078 546 F HN 0.064 nan 8.300 nan 0.000 0.546 547 E N 0.093 120.445 120.200 0.253 0.000 2.472 547 E HA -0.096 4.255 4.350 0.001 0.000 0.200 547 E C 1.512 178.197 176.600 0.141 0.000 1.046 547 E CA 0.547 57.071 56.400 0.207 0.000 0.871 547 E CB -0.066 29.771 29.700 0.228 0.000 0.806 547 E HN 0.478 nan 8.360 nan 0.000 0.533 548 L N 0.330 121.612 121.223 0.099 0.000 2.766 548 L HA 0.171 4.511 4.340 0.001 0.000 0.242 548 L C -0.015 176.869 176.870 0.023 0.000 1.136 548 L CA -0.327 54.547 54.840 0.057 0.000 0.933 548 L CB 0.463 42.550 42.059 0.045 0.000 1.241 548 L HN 0.049 nan 8.230 nan 0.000 0.522 549 L N 0.194 121.432 121.223 0.025 0.000 2.352 549 L HA 0.539 4.879 4.340 0.001 0.000 0.269 549 L C -2.123 174.793 176.870 0.077 0.000 1.034 549 L CA -2.263 52.587 54.840 0.015 0.000 0.806 549 L CB 0.727 42.761 42.059 -0.041 0.000 1.244 549 L HN -0.256 nan 8.230 nan 0.000 0.447 550 P HA 0.244 nan 4.420 nan 0.000 0.272 550 P C -0.342 177.022 177.300 0.107 0.000 1.223 550 P CA -0.313 62.820 63.100 0.056 0.000 0.784 550 P CB 0.810 32.528 31.700 0.031 0.000 0.923 551 R N 0.623 121.187 120.500 0.107 0.000 2.562 551 R HA 0.570 4.911 4.340 0.001 0.000 0.217 551 R C -0.269 176.087 176.300 0.094 0.000 1.234 551 R CA -0.439 55.730 56.100 0.116 0.000 1.027 551 R CB 0.233 30.603 30.300 0.116 0.000 1.525 551 R HN 0.429 nan 8.270 nan 0.000 0.527 552 S N -0.961 114.782 115.700 0.071 0.000 2.548 552 S HA 0.550 5.020 4.470 0.001 0.000 0.286 552 S C -1.216 173.406 174.600 0.037 0.000 1.098 552 S CA -0.646 57.582 58.200 0.046 0.000 0.930 552 S CB 2.322 65.533 63.200 0.017 0.000 1.070 552 S HN 0.598 nan 8.310 nan 0.000 0.480 559 P HA -0.044 nan 4.420 nan 0.000 0.223 559 P C -0.017 177.304 177.300 0.035 0.000 1.140 559 P CA 1.080 64.190 63.100 0.016 0.000 0.783 559 P CB 0.464 32.163 31.700 -0.001 0.000 0.759 560 L N -1.277 119.975 121.223 0.047 0.000 2.307 560 L HA 0.446 4.786 4.340 0.001 0.000 0.284 560 L C -0.040 176.901 176.870 0.118 0.000 1.023 560 L CA -0.918 53.963 54.840 0.068 0.000 0.810 560 L CB 1.298 43.380 42.059 0.038 0.000 1.231 560 L HN -0.059 nan 8.230 nan 0.000 0.423 561 H N 2.893 121.976 119.070 0.021 0.000 2.600 561 H HA 0.469 5.025 4.556 -0.000 0.000 0.357 561 H C -1.068 174.280 175.328 0.033 0.000 1.106 561 H CA -0.588 55.474 56.048 0.024 0.000 1.193 561 H CB 1.507 31.282 29.762 0.020 0.000 1.594 561 H HN 0.431 nan 8.280 nan 0.000 0.526 562 N N 3.315 121.620 118.700 -0.658 0.000 2.399 562 N HA 0.141 4.881 4.740 0.001 0.000 0.295 562 N C -1.024 174.160 175.510 -0.543 0.000 1.048 562 N CA -0.525 52.279 53.050 -0.409 0.000 0.886 562 N CB 1.474 39.832 38.487 -0.214 0.000 1.185 562 N HN 0.676 nan 8.380 nan 0.000 0.487 563 D N 1.094 121.375 120.400 -0.197 0.000 2.382 563 D HA -0.051 4.589 4.640 0.001 0.000 0.240 563 D C 1.320 177.593 176.300 -0.045 0.000 1.146 563 D CA 0.104 54.072 54.000 -0.053 0.000 0.897 563 D CB 1.331 42.151 40.800 0.033 0.000 1.197 563 D HN 0.594 nan 8.370 nan 0.000 0.432 564 E N 1.423 121.629 120.200 0.009 0.000 2.164 564 E HA -0.364 3.986 4.350 0.001 0.000 0.233 564 E C 1.433 178.033 176.600 0.001 0.000 1.073 564 E CA 2.058 58.465 56.400 0.012 0.000 0.941 564 E CB 0.130 29.848 29.700 0.030 0.000 0.820 564 E HN 0.467 nan 8.360 nan 0.000 0.486 565 Q N 0.169 119.975 119.800 0.010 0.000 1.921 565 Q HA -0.112 4.228 4.340 0.001 0.000 0.208 565 Q C 1.059 177.064 176.000 0.008 0.000 0.994 565 Q CA 1.251 57.060 55.803 0.011 0.000 0.857 565 Q CB -0.422 28.327 28.738 0.018 0.000 0.925 565 Q HN 0.417 nan 8.270 nan 0.000 0.421 566 I N 2.675 123.251 120.570 0.010 0.000 3.148 566 I HA -0.207 3.963 4.170 0.001 0.000 0.317 566 I C 0.358 176.473 176.117 -0.004 0.000 1.237 566 I CA 0.823 62.130 61.300 0.011 0.000 1.423 566 I CB -0.220 37.785 38.000 0.009 0.000 1.352 566 I HN 0.178 nan 8.210 nan 0.000 0.526 567 K N 5.879 126.287 120.400 0.013 0.000 2.245 567 K HA 0.444 4.764 4.320 0.001 0.000 0.234 567 K C 0.975 177.585 176.600 0.017 0.000 1.021 567 K CA -0.984 55.308 56.287 0.009 0.000 0.898 567 K CB 1.495 34.005 32.500 0.018 0.000 1.163 567 K HN 0.418 nan 8.250 nan 0.000 0.459 568 L N 0.777 122.007 121.223 0.011 0.000 2.013 568 L HA -0.252 4.089 4.340 0.001 0.000 0.212 568 L C 2.471 179.373 176.870 0.053 0.000 1.073 568 L CA 2.137 56.988 54.840 0.018 0.000 0.753 568 L CB -1.069 40.988 42.059 -0.005 0.000 0.890 568 L HN 0.880 nan 8.230 nan 0.000 0.432 569 T N -4.191 110.397 114.554 0.056 0.000 2.881 569 T HA -0.176 4.174 4.350 0.001 0.000 0.270 569 T C 1.423 176.209 174.700 0.143 0.000 1.068 569 T CA 1.236 63.406 62.100 0.117 0.000 1.131 569 T CB -0.357 68.568 68.868 0.096 0.000 0.871 569 T HN 0.221 nan 8.240 nan 0.000 0.479 570 D N 1.521 121.975 120.400 0.089 0.000 2.219 570 D HA -0.003 4.637 4.640 0.001 0.000 0.205 570 D C 1.954 178.284 176.300 0.050 0.000 0.970 570 D CA 0.736 54.779 54.000 0.071 0.000 0.851 570 D CB -0.358 40.476 40.800 0.057 0.000 0.943 570 D HN 0.622 nan 8.370 nan 0.000 0.488 571 N N -0.885 117.850 118.700 0.058 0.000 2.251 571 N HA -0.129 4.611 4.740 0.001 0.000 0.181 571 N C 1.636 177.177 175.510 0.051 0.000 1.019 571 N CA 0.205 53.275 53.050 0.033 0.000 0.862 571 N CB 0.019 38.529 38.487 0.038 0.000 0.992 571 N HN 0.071 nan 8.380 nan 0.000 0.429 572 Y N 2.556 122.835 120.300 -0.034 0.000 2.036 572 Y HA -0.217 4.333 4.550 0.000 0.000 0.273 572 Y C 2.137 178.009 175.900 -0.046 0.000 1.135 572 Y CA 1.640 59.719 58.100 -0.035 0.000 1.106 572 Y CB -0.465 37.983 38.460 -0.019 0.000 0.976 572 Y HN 0.041 nan 8.280 nan 0.000 0.483 573 E N -0.114 120.053 120.200 -0.055 0.000 2.097 573 E HA -0.294 4.056 4.350 0.001 0.000 0.196 573 E C 2.306 178.802 176.600 -0.173 0.000 1.000 573 E CA 1.194 57.496 56.400 -0.162 0.000 0.804 573 E CB -0.439 29.261 29.700 0.000 0.000 0.740 573 E HN 0.589 nan 8.360 nan 0.000 0.454 574 A N 1.166 123.921 122.820 -0.109 0.000 1.933 574 A HA -0.174 4.146 4.320 0.001 0.000 0.218 574 A C 2.122 179.583 177.584 -0.206 0.000 1.175 574 A CA 0.959 52.913 52.037 -0.139 0.000 0.628 574 A CB -0.387 18.535 19.000 -0.129 0.000 0.814 574 A HN 0.119 nan 8.150 nan 0.000 0.444 575 L N -0.237 120.864 121.223 -0.203 0.000 2.017 575 L HA -0.148 4.193 4.340 0.001 0.000 0.208 575 L C 2.580 179.317 176.870 -0.223 0.000 1.073 575 L CA 1.596 56.315 54.840 -0.203 0.000 0.745 575 L CB -1.436 40.534 42.059 -0.147 0.000 0.894 575 L HN 0.414 nan 8.230 nan 0.000 0.432 576 L N -0.876 120.159 121.223 -0.312 0.000 1.970 576 L HA -0.252 4.089 4.340 0.001 0.000 0.212 576 L C 2.754 179.492 176.870 -0.220 0.000 1.071 576 L CA 1.433 56.087 54.840 -0.310 0.000 0.751 576 L CB -0.946 40.850 42.059 -0.438 0.000 0.889 576 L HN 0.257 nan 8.230 nan 0.000 0.432 577 A N 0.216 122.915 122.820 -0.202 0.000 1.870 577 A HA -0.297 4.023 4.320 0.001 0.000 0.219 577 A C 2.205 179.736 177.584 -0.088 0.000 1.224 577 A CA 2.218 54.178 52.037 -0.128 0.000 0.650 577 A CB -1.076 17.871 19.000 -0.088 0.000 0.836 577 A HN 0.304 nan 8.150 nan 0.000 0.454 578 L N -0.209 120.943 121.223 -0.118 0.000 2.051 578 L HA -0.194 4.146 4.340 0.001 0.000 0.214 578 L C 2.719 179.561 176.870 -0.048 0.000 1.076 578 L CA 2.705 57.484 54.840 -0.101 0.000 0.758 578 L CB -1.379 40.562 42.059 -0.198 0.000 0.890 578 L HN 0.506 nan 8.230 nan 0.000 0.433 579 T N -0.920 113.592 114.554 -0.069 0.000 2.746 579 T HA -0.184 4.166 4.350 0.001 0.000 0.267 579 T C 1.746 176.434 174.700 -0.021 0.000 1.039 579 T CA 1.412 63.488 62.100 -0.039 0.000 1.142 579 T CB -0.309 68.517 68.868 -0.069 0.000 0.866 579 T HN 0.313 nan 8.240 nan 0.000 0.444 580 N N 1.376 120.050 118.700 -0.043 0.000 2.043 580 N HA -0.039 4.701 4.740 0.001 0.000 0.193 580 N C 1.760 177.289 175.510 0.032 0.000 1.037 580 N CA 1.246 54.285 53.050 -0.020 0.000 0.851 580 N CB -0.586 37.873 38.487 -0.046 0.000 1.027 580 N HN 0.368 nan 8.380 nan 0.000 0.422 581 L N -0.242 121.014 121.223 0.054 0.000 2.187 581 L HA -0.109 4.231 4.340 0.001 0.000 0.213 581 L C 2.325 179.239 176.870 0.075 0.000 1.100 581 L CA 1.176 56.070 54.840 0.091 0.000 0.765 581 L CB -0.610 41.502 42.059 0.089 0.000 0.904 581 L HN 0.170 nan 8.230 nan 0.000 0.437 582 A N 0.470 123.330 122.820 0.066 0.000 1.929 582 A HA -0.146 4.174 4.320 0.001 0.000 0.216 582 A C 2.566 180.221 177.584 0.119 0.000 1.176 582 A CA 1.523 53.615 52.037 0.092 0.000 0.628 582 A CB -0.513 18.540 19.000 0.089 0.000 0.816 582 A HN 0.496 nan 8.150 nan 0.000 0.444 583 S N 0.006 115.753 115.700 0.079 0.000 2.368 583 S HA -0.129 4.341 4.470 0.001 0.000 0.225 583 S C 1.542 176.194 174.600 0.086 0.000 1.030 583 S CA 1.097 59.336 58.200 0.065 0.000 0.999 583 S CB -1.107 62.112 63.200 0.031 0.000 0.844 583 S HN 0.607 nan 8.310 nan 0.000 0.459 584 S N 2.424 118.179 115.700 0.092 0.000 3.338 584 S HA -0.081 4.389 4.470 0.001 0.000 0.211 584 S C 0.104 174.787 174.600 0.139 0.000 0.810 584 S CA -0.114 58.145 58.200 0.097 0.000 1.535 584 S CB -1.471 61.788 63.200 0.099 0.000 1.460 584 S HN 0.513 nan 8.310 nan 0.000 0.567 585 E N 2.831 123.110 120.200 0.133 0.000 2.413 585 E HA -0.018 4.332 4.350 0.001 0.000 0.277 585 E C 0.770 177.461 176.600 0.152 0.000 1.114 585 E CA 0.270 56.764 56.400 0.158 0.000 1.111 585 E CB -0.559 29.118 29.700 -0.038 0.000 1.066 585 E HN 0.736 nan 8.360 nan 0.000 0.454 586 T N -3.475 111.190 114.554 0.185 0.000 2.812 586 T HA 0.206 4.556 4.350 0.001 0.000 0.294 586 T C 1.333 176.087 174.700 0.090 0.000 1.159 586 T CA -0.307 61.862 62.100 0.115 0.000 1.008 586 T CB 1.386 70.299 68.868 0.075 0.000 1.289 586 T HN 0.082 nan 8.240 nan 0.000 0.514 587 S N 0.594 116.322 115.700 0.047 0.000 2.368 587 S HA -0.255 4.216 4.470 0.001 0.000 0.226 587 S C 1.516 176.094 174.600 -0.037 0.000 1.044 587 S CA 2.059 60.260 58.200 0.002 0.000 1.062 587 S CB -1.244 61.958 63.200 0.003 0.000 0.931 587 S HN 0.864 nan 8.310 nan 0.000 0.440 588 D N 1.775 122.166 120.400 -0.014 0.000 2.123 588 D HA -0.024 4.616 4.640 0.001 0.000 0.196 588 D C 2.113 178.383 176.300 -0.051 0.000 0.992 588 D CA 1.441 55.423 54.000 -0.030 0.000 0.833 588 D CB -0.742 40.062 40.800 0.007 0.000 0.954 588 D HN 0.506 nan 8.370 nan 0.000 0.455 589 G N -0.068 108.719 108.800 -0.022 0.000 2.408 589 G HA2 -0.276 3.684 3.960 0.001 0.000 0.217 589 G HA3 -0.276 3.684 3.960 0.001 0.000 0.217 589 G C 1.416 176.177 174.900 -0.231 0.000 1.150 589 G CA 0.698 45.785 45.100 -0.023 0.000 0.776 589 G HN 0.359 nan 8.290 nan 0.000 0.542 590 E N 0.241 120.153 120.200 -0.480 0.000 2.153 590 E HA -0.147 4.203 4.350 0.001 0.000 0.194 590 E C 2.178 178.583 176.600 -0.325 0.000 0.988 590 E CA 0.931 56.847 56.400 -0.807 0.000 0.811 590 E CB -0.008 29.355 29.700 -0.562 0.000 0.746 590 E HN 0.319 nan 8.360 nan 0.000 0.466 591 E N 0.266 120.352 120.200 -0.189 0.000 2.077 591 E HA -0.137 4.214 4.350 0.001 0.000 0.193 591 E C 2.272 178.837 176.600 -0.057 0.000 0.989 591 E CA 0.879 57.215 56.400 -0.106 0.000 0.800 591 E CB -0.230 29.410 29.700 -0.101 0.000 0.746 591 E HN 0.207 nan 8.360 nan 0.000 0.452 592 V N 0.902 120.779 119.914 -0.060 0.000 2.490 592 V HA -0.279 3.842 4.120 0.001 0.000 0.250 592 V C 2.467 178.596 176.094 0.059 0.000 1.061 592 V CA 1.486 63.787 62.300 0.002 0.000 1.064 592 V CB -0.518 31.303 31.823 -0.003 0.000 0.670 592 V HN 0.301 nan 8.190 nan 0.000 0.461 593 C N -0.333 118.967 119.300 -0.000 0.000 2.489 593 C HA -0.094 4.366 4.460 0.001 0.000 0.279 593 C C 2.704 177.705 174.990 0.017 0.000 1.266 593 C CA 0.611 59.644 59.018 0.024 0.000 1.707 593 C CB -0.872 26.860 27.740 -0.013 0.000 2.059 593 C HN 0.533 nan 8.230 nan 0.000 0.481 594 K N 0.152 120.541 120.400 -0.019 0.000 2.044 594 K HA -0.255 4.065 4.320 0.001 0.000 0.210 594 K C 1.917 178.533 176.600 0.027 0.000 1.049 594 K CA 2.135 58.411 56.287 -0.018 0.000 0.927 594 K CB -0.465 32.020 32.500 -0.025 0.000 0.713 594 K HN 0.595 nan 8.250 nan 0.000 0.443 595 H N 0.850 119.912 119.070 -0.014 0.000 2.353 595 H HA -0.006 4.550 4.556 -0.000 0.000 0.300 595 H C 1.792 177.196 175.328 0.126 0.000 1.090 595 H CA 1.540 57.607 56.048 0.032 0.000 1.327 595 H CB -0.039 29.738 29.762 0.024 0.000 1.383 595 H HN 0.108 nan 8.280 nan 0.000 0.508 596 I N -0.825 119.828 120.570 0.138 0.000 2.394 596 I HA -0.176 3.995 4.170 0.001 0.000 0.251 596 I C 2.249 178.495 176.117 0.215 0.000 1.136 596 I CA 1.101 62.529 61.300 0.214 0.000 1.425 596 I CB -0.013 38.151 38.000 0.274 0.000 1.079 596 I HN 0.261 nan 8.210 nan 0.000 0.425 597 V N -0.307 119.640 119.914 0.054 0.000 3.307 597 V HA -0.046 4.074 4.120 0.001 0.000 0.253 597 V C 2.247 178.238 176.094 -0.173 0.000 1.149 597 V CA 1.415 63.638 62.300 -0.129 0.000 1.112 597 V CB 0.301 31.853 31.823 -0.451 0.000 0.777 597 V HN 0.510 nan 8.190 nan 0.000 0.464 598 S N -1.118 114.504 115.700 -0.130 0.000 2.528 598 S HA 0.057 4.528 4.470 0.001 0.000 0.219 598 S C 0.953 175.458 174.600 -0.158 0.000 0.985 598 S CA 0.443 58.560 58.200 -0.137 0.000 0.914 598 S CB -0.378 62.759 63.200 -0.105 0.000 0.776 598 S HN 0.491 nan 8.310 nan 0.000 0.526 599 T N 3.425 117.853 114.554 -0.210 0.000 2.794 599 T HA 0.304 4.654 4.350 0.001 0.000 0.304 599 T C 0.783 175.340 174.700 -0.238 0.000 0.973 599 T CA -0.449 61.439 62.100 -0.352 0.000 0.972 599 T CB 1.061 69.510 68.868 -0.699 0.000 0.952 599 T HN 0.357 nan 8.240 nan 0.000 0.509 600 K N 1.820 122.115 120.400 -0.175 0.000 2.144 600 K HA -0.171 4.149 4.320 0.001 0.000 0.209 600 K C 1.954 178.503 176.600 -0.084 0.000 1.047 600 K CA 1.243 57.481 56.287 -0.081 0.000 0.927 600 K CB -0.314 32.135 32.500 -0.086 0.000 0.716 600 K HN 0.379 nan 8.250 nan 0.000 0.454 601 V N 0.068 119.843 119.914 -0.232 0.000 2.407 601 V HA -0.202 3.919 4.120 0.001 0.000 0.245 601 V C 1.934 177.931 176.094 -0.161 0.000 1.041 601 V CA 1.426 63.591 62.300 -0.226 0.000 1.040 601 V CB -0.663 30.961 31.823 -0.332 0.000 0.671 601 V HN 0.162 nan 8.190 nan 0.000 0.455 602 Y N -1.056 119.043 120.300 -0.335 0.000 2.163 602 Y HA -0.177 4.372 4.550 -0.002 0.000 0.288 602 Y C 2.404 178.288 175.900 -0.027 0.000 1.136 602 Y CA 0.699 58.487 58.100 -0.521 0.000 1.147 602 Y CB -1.024 36.908 38.460 -0.881 0.000 0.987 602 Y HN 0.280 nan 8.280 nan 0.000 0.509 603 W N 0.925 122.248 121.300 0.038 0.000 2.350 603 W HA -0.228 4.431 4.660 -0.000 0.000 0.289 603 W C 1.935 178.476 176.519 0.037 0.000 1.215 603 W CA 1.861 59.235 57.345 0.048 0.000 1.236 603 W CB -0.100 29.352 29.460 -0.013 0.000 1.130 603 W HN 0.068 nan 8.180 nan 0.000 0.541 604 S N 0.301 115.952 115.700 -0.082 0.000 2.359 604 S HA -0.210 4.261 4.470 0.001 0.000 0.224 604 S C 1.590 176.076 174.600 -0.188 0.000 1.035 604 S CA 2.223 60.323 58.200 -0.167 0.000 1.018 604 S CB -0.895 62.269 63.200 -0.060 0.000 0.876 604 S HN 0.242 nan 8.310 nan 0.000 0.448 605 T N 2.593 117.109 114.554 -0.063 0.000 2.777 605 T HA 0.058 4.409 4.350 0.001 0.000 0.266 605 T C 1.691 176.350 174.700 -0.067 0.000 1.040 605 T CA 0.788 62.889 62.100 0.001 0.000 1.141 605 T CB -0.243 68.727 68.868 0.169 0.000 0.868 605 T HN 0.214 nan 8.240 nan 0.000 0.444 606 I N 1.270 121.767 120.570 -0.122 0.000 2.394 606 I HA -0.068 4.102 4.170 0.001 0.000 0.251 606 I C 2.443 178.312 176.117 -0.413 0.000 1.136 606 I CA 1.197 62.374 61.300 -0.204 0.000 1.425 606 I CB -1.009 36.907 38.000 -0.141 0.000 1.079 606 I HN 0.403 nan 8.210 nan 0.000 0.425 607 E N 1.554 121.347 120.200 -0.679 0.000 2.015 607 E HA -0.235 4.115 4.350 0.001 0.000 0.191 607 E C 1.818 178.261 176.600 -0.261 0.000 0.991 607 E CA 1.704 57.749 56.400 -0.593 0.000 0.802 607 E CB 0.021 29.314 29.700 -0.678 0.000 0.759 607 E HN 0.408 nan 8.360 nan 0.000 0.447 608 N N 0.260 118.841 118.700 -0.198 0.000 2.348 608 N HA -0.126 4.614 4.740 0.001 0.000 0.185 608 N C 1.599 177.069 175.510 -0.066 0.000 1.019 608 N CA 0.711 53.701 53.050 -0.099 0.000 0.880 608 N CB -0.060 38.387 38.487 -0.067 0.000 0.965 608 N HN 0.197 nan 8.380 nan 0.000 0.437 609 L N 0.000 121.177 121.223 -0.077 0.000 2.275 609 L HA -0.019 4.321 4.340 0.001 0.000 0.215 609 L C 1.845 178.700 176.870 -0.026 0.000 1.119 609 L CA 0.611 55.428 54.840 -0.039 0.000 0.790 609 L CB -0.268 41.771 42.059 -0.033 0.000 0.919 609 L HN 0.316 nan 8.230 nan 0.000 0.443 610 M N -0.775 118.804 119.600 -0.035 0.000 2.213 610 M HA -0.215 4.266 4.480 0.001 0.000 0.263 610 M C 1.580 177.883 176.300 0.004 0.000 1.062 610 M CA 1.729 57.027 55.300 -0.003 0.000 1.105 610 M CB -0.198 32.415 32.600 0.021 0.000 1.385 610 M HN 0.239 nan 8.290 nan 0.000 0.417 611 L N -0.602 120.619 121.223 -0.003 0.000 2.700 611 L HA 0.140 4.480 4.340 0.001 0.000 0.234 611 L C 0.680 177.552 176.870 0.003 0.000 1.156 611 L CA -0.371 54.471 54.840 0.003 0.000 0.946 611 L CB -0.124 41.937 42.059 0.003 0.000 1.216 611 L HN 0.140 nan 8.230 nan 0.000 0.493 612 D N 1.266 121.667 120.400 0.001 0.000 2.423 612 D HA -0.083 4.557 4.640 0.001 0.000 0.238 612 D C 0.935 177.239 176.300 0.006 0.000 1.142 612 D CA 0.181 54.184 54.000 0.004 0.000 0.884 612 D CB 1.194 41.998 40.800 0.006 0.000 1.199 612 D HN 0.413 nan 8.370 nan 0.000 0.438 613 E N 2.308 122.511 120.200 0.006 0.000 2.110 613 E HA -0.214 4.136 4.350 0.001 0.000 0.193 613 E C 0.065 176.665 176.600 -0.000 0.000 0.988 613 E CA 0.662 57.065 56.400 0.004 0.000 0.804 613 E CB -0.437 29.265 29.700 0.004 0.000 0.745 613 E HN 0.383 nan 8.360 nan 0.000 0.458 614 N N 1.395 120.094 118.700 -0.001 0.000 2.400 614 N HA 0.025 4.765 4.740 0.001 0.000 0.267 614 N C 0.575 176.082 175.510 -0.004 0.000 1.208 614 N CA -0.202 52.842 53.050 -0.010 0.000 0.951 614 N CB 1.433 39.914 38.487 -0.010 0.000 1.227 614 N HN -0.079 nan 8.380 nan 0.000 0.488 615 V N 4.499 124.407 119.914 -0.011 0.000 2.278 615 V HA -0.232 3.888 4.120 0.001 0.000 0.251 615 V C -0.628 175.473 176.094 0.013 0.000 1.062 615 V CA 1.869 64.168 62.300 -0.002 0.000 1.038 615 V CB -0.925 30.892 31.823 -0.010 0.000 0.646 615 V HN 0.657 nan 8.190 nan 0.000 0.447 616 P HA -0.119 nan 4.420 nan 0.000 0.218 616 P C 1.820 179.241 177.300 0.202 0.000 1.148 616 P CA 1.346 64.452 63.100 0.010 0.000 0.822 616 P CB -0.034 31.452 31.700 -0.357 0.000 0.784 617 L N -1.018 120.277 121.223 0.119 0.000 2.131 617 L HA -0.119 4.221 4.340 0.001 0.000 0.206 617 L C 2.745 179.658 176.870 0.071 0.000 1.087 617 L CA 1.318 56.232 54.840 0.122 0.000 0.767 617 L CB -0.895 41.204 42.059 0.067 0.000 0.917 617 L HN 0.039 nan 8.230 nan 0.000 0.441 618 Q N 0.723 120.552 119.800 0.049 0.000 2.046 618 Q HA -0.235 4.106 4.340 0.001 0.000 0.200 618 Q C 2.385 178.406 176.000 0.036 0.000 0.975 618 Q CA 1.410 57.232 55.803 0.031 0.000 0.836 618 Q CB 0.033 28.784 28.738 0.022 0.000 0.896 618 Q HN 0.303 nan 8.270 nan 0.000 0.428 619 R N 0.058 120.588 120.500 0.051 0.000 2.113 619 R HA -0.172 4.169 4.340 0.001 0.000 0.231 619 R C 2.340 178.666 176.300 0.043 0.000 1.129 619 R CA 2.246 58.376 56.100 0.050 0.000 0.915 619 R CB -0.558 29.786 30.300 0.073 0.000 0.837 619 R HN 0.244 nan 8.270 nan 0.000 0.430 620 S N 0.064 115.803 115.700 0.065 0.000 2.378 620 S HA -0.203 4.267 4.470 0.001 0.000 0.229 620 S C 1.971 176.568 174.600 -0.005 0.000 1.052 620 S CA 2.176 60.381 58.200 0.009 0.000 1.084 620 S CB -0.691 62.492 63.200 -0.028 0.000 0.950 620 S HN 0.542 nan 8.310 nan 0.000 0.440 621 T N 2.731 117.289 114.554 0.007 0.000 2.737 621 T HA -0.045 4.305 4.350 0.001 0.000 0.269 621 T C 1.688 176.398 174.700 0.018 0.000 1.040 621 T CA 1.110 63.215 62.100 0.008 0.000 1.142 621 T CB -0.458 68.412 68.868 0.004 0.000 0.861 621 T HN 0.280 nan 8.240 nan 0.000 0.456 622 L N 0.532 121.759 121.223 0.008 0.000 2.093 622 L HA -0.053 4.288 4.340 0.001 0.000 0.208 622 L C 2.667 179.531 176.870 -0.009 0.000 1.085 622 L CA 1.299 56.134 54.840 -0.009 0.000 0.755 622 L CB -0.598 41.452 42.059 -0.015 0.000 0.904 622 L HN 0.360 nan 8.230 nan 0.000 0.435 623 E N 0.165 120.363 120.200 -0.003 0.000 2.153 623 E HA -0.251 4.099 4.350 0.001 0.000 0.194 623 E C 2.088 178.690 176.600 0.003 0.000 0.988 623 E CA 0.992 57.388 56.400 -0.007 0.000 0.811 623 E CB -0.124 29.568 29.700 -0.014 0.000 0.746 623 E HN 0.270 nan 8.360 nan 0.000 0.466 624 L N 1.059 122.290 121.223 0.013 0.000 2.027 624 L HA -0.105 4.235 4.340 0.001 0.000 0.206 624 L C 2.050 178.971 176.870 0.086 0.000 1.074 624 L CA 1.489 56.354 54.840 0.041 0.000 0.745 624 L CB -0.181 41.903 42.059 0.042 0.000 0.898 624 L HN 0.061 nan 8.230 nan 0.000 0.433 625 I N -1.130 119.497 120.570 0.096 0.000 2.252 625 I HA -0.266 3.904 4.170 0.001 0.000 0.245 625 I C 2.673 178.811 176.117 0.036 0.000 1.102 625 I CA 1.365 62.742 61.300 0.129 0.000 1.385 625 I CB -0.549 37.516 38.000 0.109 0.000 1.064 625 I HN 0.366 nan 8.210 nan 0.000 0.414 626 S N 1.104 116.797 115.700 -0.011 0.000 2.359 626 S HA -0.217 4.254 4.470 0.001 0.000 0.224 626 S C 1.986 176.585 174.600 -0.002 0.000 1.035 626 S CA 1.788 59.969 58.200 -0.031 0.000 1.018 626 S CB -0.294 62.888 63.200 -0.030 0.000 0.876 626 S HN 0.398 nan 8.310 nan 0.000 0.448 627 N N 1.026 119.739 118.700 0.021 0.000 2.084 627 N HA -0.015 4.725 4.740 0.001 0.000 0.190 627 N C 1.874 177.426 175.510 0.071 0.000 1.030 627 N CA 1.634 54.704 53.050 0.033 0.000 0.849 627 N CB -0.504 38.009 38.487 0.044 0.000 1.012 627 N HN 0.504 nan 8.380 nan 0.000 0.423 628 M N -0.060 119.606 119.600 0.110 0.000 2.082 628 M HA -0.156 4.325 4.480 0.001 0.000 0.258 628 M C 1.900 178.280 176.300 0.134 0.000 1.069 628 M CA 1.259 56.653 55.300 0.157 0.000 1.102 628 M CB -0.317 32.380 32.600 0.161 0.000 1.336 628 M HN 0.089 nan 8.290 nan 0.000 0.404 629 M N 0.022 119.671 119.600 0.082 0.000 2.331 629 M HA -0.140 4.340 4.480 0.001 0.000 0.260 629 M C 1.617 177.924 176.300 0.011 0.000 1.072 629 M CA 1.361 56.695 55.300 0.057 0.000 1.065 629 M CB -1.255 31.354 32.600 0.014 0.000 1.392 629 M HN 0.141 nan 8.290 nan 0.000 0.427 630 S N -0.717 114.959 115.700 -0.039 0.000 2.786 630 S HA -0.006 4.465 4.470 0.001 0.000 0.223 630 S C 0.359 174.773 174.600 -0.310 0.000 0.956 630 S CA 0.219 58.325 58.200 -0.157 0.000 0.961 630 S CB -0.400 62.684 63.200 -0.194 0.000 0.784 630 S HN 0.374 nan 8.310 nan 0.000 0.519 631 H N -0.744 118.333 119.070 0.013 0.000 2.947 631 H HA 0.210 4.766 4.556 0.001 0.000 0.222 631 H C -2.215 173.120 175.328 0.012 0.000 1.414 631 H CA -1.639 54.415 56.048 0.010 0.000 1.224 631 H CB 0.423 30.193 29.762 0.013 0.000 2.100 631 H HN 0.090 nan 8.280 nan 0.000 0.524 632 P HA -0.293 nan 4.420 nan 0.000 0.227 632 P C 1.646 178.988 177.300 0.070 0.000 1.106 632 P CA 1.421 64.563 63.100 0.069 0.000 0.998 632 P CB 0.281 32.000 31.700 0.031 0.000 0.769 633 L N -1.645 119.612 121.223 0.056 0.000 2.351 633 L HA -0.184 4.156 4.340 0.001 0.000 0.220 633 L C 2.337 179.210 176.870 0.005 0.000 1.127 633 L CA 2.389 57.246 54.840 0.029 0.000 0.786 633 L CB -1.711 40.361 42.059 0.022 0.000 0.914 633 L HN 0.239 nan 8.230 nan 0.000 0.443 634 T N -4.937 109.623 114.554 0.011 0.000 3.044 634 T HA 0.116 4.466 4.350 0.001 0.000 0.255 634 T C 1.582 176.226 174.700 -0.094 0.000 1.073 634 T CA 0.355 62.431 62.100 -0.040 0.000 1.125 634 T CB 0.217 69.065 68.868 -0.033 0.000 0.908 634 T HN 0.054 nan 8.240 nan 0.000 0.480 635 I N 1.011 121.557 120.570 -0.039 0.000 3.632 635 I HA 0.402 4.572 4.170 0.001 0.000 0.246 635 I C 2.930 179.071 176.117 0.041 0.000 1.125 635 I CA 0.792 62.045 61.300 -0.078 0.000 1.519 635 I CB -1.372 36.648 38.000 0.033 0.000 1.555 635 I HN 0.304 nan 8.210 nan 0.000 0.452 636 A N 1.922 124.851 122.820 0.183 0.000 1.751 636 A HA -0.412 3.908 4.320 0.001 0.000 0.294 636 A C 2.118 179.882 177.584 0.300 0.000 3.164 636 A CA 3.471 55.708 52.037 0.333 0.000 0.852 636 A CB -1.616 17.512 19.000 0.212 0.000 0.808 636 A HN 0.578 nan 8.150 nan 0.000 0.555 637 A N -1.713 121.177 122.820 0.118 0.000 2.276 637 A HA 0.077 4.397 4.320 0.001 0.000 0.205 637 A C 1.558 179.117 177.584 -0.042 0.000 1.234 637 A CA 1.430 53.497 52.037 0.051 0.000 0.797 637 A CB -0.351 18.647 19.000 -0.003 0.000 0.769 637 A HN 0.599 nan 8.150 nan 0.000 0.491 638 K N -1.887 118.456 120.400 -0.095 0.000 2.438 638 K HA 0.326 4.646 4.320 0.001 0.000 0.205 638 K C -0.593 175.664 176.600 -0.572 0.000 1.033 638 K CA 0.133 56.230 56.287 -0.318 0.000 1.089 638 K CB 0.377 32.585 32.500 -0.487 0.000 0.857 638 K HN 0.499 nan 8.250 nan 0.000 0.522 639 F N -2.005 117.809 119.950 -0.226 0.000 2.995 639 F HA 0.187 4.714 4.527 0.000 0.000 0.382 639 F C 0.600 175.939 175.800 -0.769 0.000 1.019 639 F CA -0.341 57.339 58.000 -0.535 0.000 1.078 639 F CB 0.662 39.099 39.000 -0.938 0.000 1.192 639 F HN -0.130 nan 8.300 nan 0.000 0.553 640 F N -0.645 119.469 119.950 0.273 0.000 2.746 640 F HA 0.260 4.787 4.527 0.001 0.000 0.320 640 F C 0.687 176.528 175.800 0.069 0.000 1.097 640 F CA -0.421 57.695 58.000 0.194 0.000 1.195 640 F CB -0.015 39.087 39.000 0.171 0.000 1.056 640 F HN -0.155 nan 8.300 nan 0.000 0.562 641 N N 1.924 120.694 118.700 0.116 0.000 3.083 641 N HA 0.165 4.906 4.740 0.001 0.000 0.260 641 N C 0.927 176.438 175.510 0.001 0.000 1.163 641 N CA -0.020 53.061 53.050 0.053 0.000 1.060 641 N CB 0.209 38.709 38.487 0.022 0.000 1.345 641 N HN 0.266 nan 8.380 nan 0.000 0.515 642 L N 0.862 122.069 121.223 -0.026 0.000 2.450 642 L HA -0.092 4.248 4.340 0.001 0.000 0.224 642 L C 1.682 178.520 176.870 -0.054 0.000 1.149 642 L CA 0.646 55.435 54.840 -0.084 0.000 0.816 642 L CB -0.185 41.764 42.059 -0.182 0.000 0.932 642 L HN 0.488 nan 8.230 nan 0.000 0.449 643 E N -0.062 120.119 120.200 -0.032 0.000 2.478 643 E HA -0.045 4.305 4.350 0.001 0.000 0.198 643 E C 0.519 177.105 176.600 -0.022 0.000 1.046 643 E CA 0.212 56.597 56.400 -0.024 0.000 0.870 643 E CB -0.282 29.409 29.700 -0.015 0.000 0.818 643 E HN 0.368 nan 8.360 nan 0.000 0.527 644 N N 0.859 119.544 118.700 -0.024 0.000 2.419 644 N HA 0.084 4.825 4.740 0.001 0.000 0.277 644 N C -2.086 173.412 175.510 -0.021 0.000 1.006 644 N CA -1.961 51.075 53.050 -0.023 0.000 0.923 644 N CB 2.080 40.549 38.487 -0.029 0.000 1.140 644 N HN -0.299 nan 8.380 nan 0.000 0.488 645 P HA -0.208 nan 4.420 nan 0.000 0.213 645 P C 1.131 178.426 177.300 -0.007 0.000 1.176 645 P CA 1.727 64.821 63.100 -0.010 0.000 0.919 645 P CB 0.336 32.030 31.700 -0.009 0.000 0.791 646 Q N -0.530 119.263 119.800 -0.012 0.000 2.046 646 Q HA -0.125 4.215 4.340 0.001 0.000 0.200 646 Q C 2.386 178.368 176.000 -0.031 0.000 0.975 646 Q CA 2.214 58.008 55.803 -0.014 0.000 0.836 646 Q CB -1.450 27.282 28.738 -0.011 0.000 0.896 646 Q HN 0.036 nan 8.270 nan 0.000 0.428 647 S N -0.632 115.039 115.700 -0.049 0.000 2.380 647 S HA -0.171 4.299 4.470 0.001 0.000 0.229 647 S C 1.732 176.312 174.600 -0.034 0.000 1.043 647 S CA 1.415 59.562 58.200 -0.088 0.000 1.038 647 S CB -0.530 62.624 63.200 -0.076 0.000 0.872 647 S HN 0.471 nan 8.310 nan 0.000 0.456 648 L N 1.741 122.962 121.223 -0.003 0.000 2.083 648 L HA 0.044 4.385 4.340 0.001 0.000 0.209 648 L C 2.315 179.246 176.870 0.102 0.000 1.083 648 L CA 1.711 56.575 54.840 0.040 0.000 0.752 648 L CB -0.783 41.277 42.059 0.001 0.000 0.899 648 L HN 0.219 nan 8.230 nan 0.000 0.433 649 R N -0.151 120.382 120.500 0.055 0.000 2.096 649 R HA -0.198 4.143 4.340 0.001 0.000 0.240 649 R C 2.102 178.457 176.300 0.091 0.000 1.139 649 R CA 2.152 58.290 56.100 0.062 0.000 0.952 649 R CB -0.688 29.627 30.300 0.025 0.000 0.854 649 R HN 0.607 nan 8.270 nan 0.000 0.436 650 N N -0.320 118.413 118.700 0.056 0.000 2.223 650 N HA -0.188 4.552 4.740 0.001 0.000 0.185 650 N C 1.593 177.255 175.510 0.254 0.000 1.016 650 N CA 0.936 54.038 53.050 0.087 0.000 0.863 650 N CB -0.167 38.194 38.487 -0.211 0.000 0.983 650 N HN 0.109 nan 8.380 nan 0.000 0.429 651 F N 2.698 122.697 119.950 0.083 0.000 2.031 651 F HA -0.149 4.378 4.527 0.000 0.000 0.295 651 F C 2.097 177.988 175.800 0.153 0.000 1.133 651 F CA 1.382 59.440 58.000 0.097 0.000 1.188 651 F CB -0.355 38.674 39.000 0.049 0.000 0.974 651 F HN -0.020 nan 8.300 nan 0.000 0.473 652 N N 1.154 120.109 118.700 0.425 0.000 2.132 652 N HA -0.254 4.486 4.740 0.001 0.000 0.191 652 N C 2.034 177.619 175.510 0.124 0.000 1.015 652 N CA 2.137 55.351 53.050 0.273 0.000 0.864 652 N CB -0.590 38.035 38.487 0.229 0.000 1.006 652 N HN 0.433 nan 8.380 nan 0.000 0.430 653 I N 0.369 121.007 120.570 0.114 0.000 2.202 653 I HA -0.223 3.947 4.170 0.001 0.000 0.242 653 I C 2.252 178.407 176.117 0.063 0.000 1.091 653 I CA 0.633 61.982 61.300 0.081 0.000 1.368 653 I CB -0.225 37.828 38.000 0.087 0.000 1.058 653 I HN 0.034 nan 8.210 nan 0.000 0.410 654 L N 0.896 122.151 121.223 0.053 0.000 2.046 654 L HA -0.168 4.172 4.340 0.001 0.000 0.208 654 L C 2.617 179.587 176.870 0.167 0.000 1.077 654 L CA 1.816 56.678 54.840 0.036 0.000 0.747 654 L CB -0.577 41.370 42.059 -0.188 0.000 0.896 654 L HN 0.229 nan 8.230 nan 0.000 0.432 655 V N -1.124 118.842 119.914 0.087 0.000 2.287 655 V HA -0.297 3.824 4.120 0.001 0.000 0.248 655 V C 2.414 178.485 176.094 -0.037 0.000 1.053 655 V CA 2.087 64.344 62.300 -0.071 0.000 1.027 655 V CB -1.532 30.186 31.823 -0.175 0.000 0.646 655 V HN 0.688 nan 8.190 nan 0.000 0.447 656 K N 0.814 121.218 120.400 0.007 0.000 2.362 656 K HA 0.013 4.333 4.320 0.001 0.000 0.200 656 K C 1.971 178.583 176.600 0.019 0.000 1.046 656 K CA 1.753 58.048 56.287 0.014 0.000 0.952 656 K CB -0.536 31.982 32.500 0.030 0.000 0.753 656 K HN 0.527 nan 8.250 nan 0.000 0.466 657 L N 1.008 122.252 121.223 0.034 0.000 2.478 657 L HA 0.015 4.355 4.340 0.001 0.000 0.223 657 L C 1.990 178.880 176.870 0.033 0.000 1.140 657 L CA 0.228 55.090 54.840 0.035 0.000 0.842 657 L CB -0.227 41.856 42.059 0.040 0.000 0.953 657 L HN 0.226 nan 8.230 nan 0.000 0.452 658 L N -0.418 120.820 121.223 0.024 0.000 2.353 658 L HA -0.179 4.161 4.340 0.001 0.000 0.220 658 L C 2.308 179.183 176.870 0.008 0.000 1.133 658 L CA 0.799 55.644 54.840 0.008 0.000 0.798 658 L CB -0.185 41.841 42.059 -0.055 0.000 0.922 658 L HN 0.385 nan 8.230 nan 0.000 0.445 659 Q N -0.371 119.435 119.800 0.010 0.000 2.425 659 Q HA 0.089 4.430 4.340 0.001 0.000 0.204 659 Q C 0.670 176.680 176.000 0.015 0.000 0.933 659 Q CA 0.002 55.813 55.803 0.013 0.000 0.939 659 Q CB 0.220 28.965 28.738 0.012 0.000 1.044 659 Q HN 0.392 nan 8.270 nan 0.000 0.513 660 L N 0.837 122.070 121.223 0.017 0.000 2.558 660 L HA -0.149 4.191 4.340 0.001 0.000 0.301 660 L C 1.442 178.320 176.870 0.014 0.000 1.267 660 L CA 0.460 55.309 54.840 0.016 0.000 0.854 660 L CB 0.426 42.495 42.059 0.018 0.000 1.103 660 L HN 0.025 nan 8.230 nan 0.000 0.522 661 S N -0.587 115.120 115.700 0.012 0.000 2.470 661 S HA -0.044 4.427 4.470 0.001 0.000 0.225 661 S C 0.173 174.780 174.600 0.010 0.000 1.006 661 S CA 0.180 58.386 58.200 0.010 0.000 0.934 661 S CB -0.161 63.043 63.200 0.007 0.000 0.778 661 S HN 0.699 nan 8.310 nan 0.000 0.517 662 D N 1.863 122.270 120.400 0.012 0.000 2.365 662 D HA 0.218 4.859 4.640 0.001 0.000 0.237 662 D C 1.309 177.618 176.300 0.016 0.000 1.190 662 D CA -0.231 53.777 54.000 0.013 0.000 0.867 662 D CB 1.035 41.843 40.800 0.014 0.000 1.050 662 D HN -0.013 nan 8.370 nan 0.000 0.491 663 V N 2.509 122.432 119.914 0.015 0.000 2.380 663 V HA -0.274 3.847 4.120 0.001 0.000 0.251 663 V C 1.849 177.953 176.094 0.017 0.000 1.063 663 V CA 1.539 63.848 62.300 0.016 0.000 1.055 663 V CB -0.841 30.990 31.823 0.014 0.000 0.657 663 V HN 0.540 nan 8.190 nan 0.000 0.455 664 E N 1.088 121.300 120.200 0.019 0.000 2.077 664 E HA -0.158 4.193 4.350 0.001 0.000 0.193 664 E C 2.451 179.063 176.600 0.021 0.000 0.989 664 E CA 1.695 58.108 56.400 0.022 0.000 0.800 664 E CB -0.283 29.436 29.700 0.031 0.000 0.746 664 E HN 0.701 nan 8.360 nan 0.000 0.452 665 S N 1.369 117.082 115.700 0.022 0.000 2.343 665 S HA -0.205 4.265 4.470 0.001 0.000 0.219 665 S C 2.026 176.637 174.600 0.018 0.000 1.033 665 S CA 1.181 59.392 58.200 0.019 0.000 1.014 665 S CB -0.302 62.910 63.200 0.020 0.000 0.915 665 S HN 0.271 nan 8.310 nan 0.000 0.435 666 Q N 0.594 120.406 119.800 0.020 0.000 2.112 666 Q HA -0.151 4.189 4.340 0.001 0.000 0.206 666 Q C 2.358 178.371 176.000 0.022 0.000 0.987 666 Q CA 1.349 57.167 55.803 0.024 0.000 0.858 666 Q CB -0.235 28.517 28.738 0.023 0.000 0.905 666 Q HN 0.215 nan 8.270 nan 0.000 0.420 667 R N 0.600 121.110 120.500 0.016 0.000 2.133 667 R HA -0.222 4.118 4.340 0.001 0.000 0.247 667 R C 1.946 178.251 176.300 0.009 0.000 1.151 667 R CA 1.777 57.884 56.100 0.011 0.000 0.971 667 R CB -0.561 29.745 30.300 0.010 0.000 0.866 667 R HN 0.358 nan 8.270 nan 0.000 0.447 668 A N -0.931 121.893 122.820 0.007 0.000 1.855 668 A HA -0.009 4.312 4.320 0.001 0.000 0.213 668 A C 2.241 179.819 177.584 -0.010 0.000 1.195 668 A CA 1.232 53.266 52.037 -0.005 0.000 0.610 668 A CB -0.624 18.370 19.000 -0.010 0.000 0.837 668 A HN 0.123 nan 8.150 nan 0.000 0.444 669 V N 0.482 120.401 119.914 0.008 0.000 2.220 669 V HA -0.346 3.774 4.120 0.001 0.000 0.250 669 V C 3.066 179.244 176.094 0.140 0.000 1.056 669 V CA 2.347 64.672 62.300 0.042 0.000 1.016 669 V CB -1.644 30.240 31.823 0.102 0.000 0.639 669 V HN 0.612 nan 8.190 nan 0.000 0.446 670 A N 0.151 123.046 122.820 0.125 0.000 1.903 670 A HA -0.264 4.056 4.320 0.001 0.000 0.219 670 A C 2.474 180.105 177.584 0.078 0.000 1.191 670 A CA 3.053 55.154 52.037 0.106 0.000 0.638 670 A CB -1.163 17.844 19.000 0.012 0.000 0.823 670 A HN 0.737 nan 8.150 nan 0.000 0.451 671 A N -0.022 122.815 122.820 0.028 0.000 1.884 671 A HA -0.219 4.101 4.320 0.001 0.000 0.219 671 A C 2.151 179.727 177.584 -0.013 0.000 1.197 671 A CA 1.898 53.937 52.037 0.004 0.000 0.637 671 A CB -0.817 18.178 19.000 -0.008 0.000 0.827 671 A HN 0.570 nan 8.150 nan 0.000 0.450 672 I N -1.938 118.598 120.570 -0.056 0.000 2.069 672 I HA -0.301 3.869 4.170 0.001 0.000 0.237 672 I C 2.396 178.450 176.117 -0.104 0.000 1.053 672 I CA 1.937 63.154 61.300 -0.138 0.000 1.311 672 I CB -0.702 37.100 38.000 -0.330 0.000 1.030 672 I HN 0.331 nan 8.210 nan 0.000 0.398 673 F N 1.140 121.077 119.950 -0.021 0.000 2.043 673 F HA -0.326 4.202 4.527 0.001 0.000 0.297 673 F C 2.702 178.437 175.800 -0.109 0.000 1.118 673 F CA 1.917 59.895 58.000 -0.036 0.000 1.202 673 F CB -1.169 37.791 39.000 -0.067 0.000 0.965 673 F HN 0.061 nan 8.300 nan 0.000 0.482 674 A N -0.103 122.774 122.820 0.095 0.000 1.892 674 A HA -0.284 4.037 4.320 0.001 0.000 0.218 674 A C 2.263 179.841 177.584 -0.009 0.000 1.188 674 A CA 2.073 54.116 52.037 0.011 0.000 0.631 674 A CB -1.131 17.866 19.000 -0.004 0.000 0.822 674 A HN 0.479 nan 8.150 nan 0.000 0.447 675 N N -0.095 118.591 118.700 -0.024 0.000 2.018 675 N HA -0.187 4.553 4.740 0.001 0.000 0.196 675 N C 1.689 177.149 175.510 -0.084 0.000 1.043 675 N CA 2.028 55.051 53.050 -0.045 0.000 0.856 675 N CB -0.391 38.066 38.487 -0.051 0.000 1.042 675 N HN 0.358 nan 8.380 nan 0.000 0.423 676 I N 1.656 122.129 120.570 -0.161 0.000 2.264 676 I HA -0.187 3.983 4.170 0.001 0.000 0.248 676 I C 2.192 178.180 176.117 -0.215 0.000 1.111 676 I CA 1.230 62.365 61.300 -0.273 0.000 1.382 676 I CB -0.698 36.899 38.000 -0.671 0.000 1.060 676 I HN 0.223 nan 8.210 nan 0.000 0.418 677 A N -1.242 121.486 122.820 -0.153 0.000 2.024 677 A HA -0.203 4.118 4.320 0.001 0.000 0.220 677 A C 2.283 179.847 177.584 -0.033 0.000 1.164 677 A CA 2.406 54.393 52.037 -0.084 0.000 0.643 677 A CB -1.110 17.868 19.000 -0.038 0.000 0.806 677 A HN 0.494 nan 8.150 nan 0.000 0.451 678 T N -0.497 114.050 114.554 -0.012 0.000 2.818 678 T HA -0.059 4.291 4.350 0.001 0.000 0.246 678 T C 2.126 176.825 174.700 -0.001 0.000 1.036 678 T CA 1.661 63.779 62.100 0.030 0.000 1.160 678 T CB -0.764 68.131 68.868 0.045 0.000 0.869 678 T HN 0.578 nan 8.240 nan 0.000 0.419 679 T N 2.084 116.621 114.554 -0.029 0.000 2.597 679 T HA -0.109 4.241 4.350 0.001 0.000 0.267 679 T C 0.722 175.399 174.700 -0.037 0.000 1.053 679 T CA 1.078 63.158 62.100 -0.034 0.000 1.165 679 T CB -0.344 68.494 68.868 -0.051 0.000 0.863 679 T HN 0.131 nan 8.240 nan 0.000 0.427 680 I N 3.444 123.975 120.570 -0.064 0.000 2.442 680 I HA 0.259 4.429 4.170 0.001 0.000 0.279 680 I C -1.489 174.592 176.117 -0.060 0.000 1.081 680 I CA -2.705 58.559 61.300 -0.059 0.000 1.197 680 I CB 1.538 39.493 38.000 -0.075 0.000 1.394 680 I HN -0.023 nan 8.210 nan 0.000 0.488 681 P HA -0.258 nan 4.420 nan 0.000 0.216 681 P C 1.837 179.115 177.300 -0.037 0.000 1.154 681 P CA 1.250 64.330 63.100 -0.033 0.000 0.865 681 P CB 0.512 32.201 31.700 -0.017 0.000 0.789 682 L N -0.652 120.555 121.223 -0.027 0.000 2.187 682 L HA -0.118 4.222 4.340 0.001 0.000 0.213 682 L C 2.464 179.320 176.870 -0.023 0.000 1.100 682 L CA 1.546 56.374 54.840 -0.020 0.000 0.765 682 L CB -1.073 40.981 42.059 -0.008 0.000 0.904 682 L HN -0.132 nan 8.230 nan 0.000 0.437 683 I N -1.056 119.492 120.570 -0.036 0.000 2.406 683 I HA -0.186 3.984 4.170 0.001 0.000 0.249 683 I C 2.549 178.646 176.117 -0.034 0.000 1.122 683 I CA 0.851 62.133 61.300 -0.029 0.000 1.431 683 I CB -0.602 37.331 38.000 -0.112 0.000 1.087 683 I HN 0.326 nan 8.210 nan 0.000 0.424 684 A N 1.233 124.013 122.820 -0.066 0.000 1.883 684 A HA -0.307 4.014 4.320 0.001 0.000 0.217 684 A C 2.276 179.804 177.584 -0.093 0.000 1.186 684 A CA 2.295 54.291 52.037 -0.068 0.000 0.624 684 A CB -0.544 18.416 19.000 -0.067 0.000 0.822 684 A HN 0.274 nan 8.150 nan 0.000 0.444 685 K N 0.114 120.460 120.400 -0.089 0.000 2.063 685 K HA -0.196 4.124 4.320 0.001 0.000 0.208 685 K C 1.937 178.458 176.600 -0.132 0.000 1.048 685 K CA 2.156 58.372 56.287 -0.119 0.000 0.928 685 K CB -0.309 32.157 32.500 -0.057 0.000 0.713 685 K HN 0.603 nan 8.250 nan 0.000 0.442 686 E N -0.272 119.889 120.200 -0.064 0.000 2.204 686 E HA -0.089 4.261 4.350 0.001 0.000 0.194 686 E C 1.690 178.268 176.600 -0.037 0.000 0.989 686 E CA 0.714 57.089 56.400 -0.042 0.000 0.824 686 E CB 0.014 29.709 29.700 -0.008 0.000 0.756 686 E HN 0.327 nan 8.360 nan 0.000 0.477 687 L N 0.466 121.682 121.223 -0.012 0.000 2.291 687 L HA -0.090 4.251 4.340 0.001 0.000 0.214 687 L C 1.877 178.708 176.870 -0.066 0.000 1.120 687 L CA 0.383 55.251 54.840 0.046 0.000 0.799 687 L CB -0.169 41.950 42.059 0.100 0.000 0.925 687 L HN 0.239 nan 8.230 nan 0.000 0.446 688 L N -0.512 120.579 121.223 -0.221 0.000 2.700 688 L HA -0.094 4.246 4.340 0.001 0.000 0.240 688 L C 1.514 178.219 176.870 -0.275 0.000 1.162 688 L CA 0.596 55.186 54.840 -0.416 0.000 0.874 688 L CB -0.576 40.907 42.059 -0.960 0.000 1.001 688 L HN 0.206 nan 8.230 nan 0.000 0.447 689 T N -3.136 111.353 114.554 -0.107 0.000 2.958 689 T HA 0.096 4.446 4.350 0.001 0.000 0.256 689 T C 0.542 175.256 174.700 0.023 0.000 0.983 689 T CA -0.270 61.822 62.100 -0.013 0.000 0.924 689 T CB 0.430 69.298 68.868 -0.001 0.000 1.136 689 T HN -0.086 nan 8.240 nan 0.000 0.506 690 K N 2.829 123.255 120.400 0.042 0.000 2.338 690 K HA 0.277 4.598 4.320 0.001 0.000 0.290 690 K C 0.918 177.566 176.600 0.081 0.000 1.069 690 K CA 0.025 56.374 56.287 0.103 0.000 0.941 690 K CB 0.654 33.297 32.500 0.238 0.000 1.023 690 K HN 0.199 nan 8.250 nan 0.000 0.477 691 K N 1.809 122.254 120.400 0.075 0.000 1.980 691 K HA -0.098 4.222 4.320 0.001 0.000 0.208 691 K C 1.382 178.017 176.600 0.058 0.000 1.043 691 K CA 0.840 57.164 56.287 0.062 0.000 0.938 691 K CB 0.014 32.548 32.500 0.057 0.000 0.724 691 K HN 0.466 nan 8.250 nan 0.000 0.438 692 E N 1.171 121.412 120.200 0.069 0.000 2.068 692 E HA -0.256 4.094 4.350 0.001 0.000 0.207 692 E C 2.086 178.691 176.600 0.008 0.000 1.032 692 E CA 1.344 57.775 56.400 0.051 0.000 0.839 692 E CB -0.382 29.365 29.700 0.078 0.000 0.758 692 E HN 0.098 nan 8.360 nan 0.000 0.457 693 L N 1.365 122.594 121.223 0.010 0.000 1.971 693 L HA -0.223 4.117 4.340 0.001 0.000 0.215 693 L C 2.334 179.137 176.870 -0.112 0.000 1.072 693 L CA 1.657 56.419 54.840 -0.129 0.000 0.758 693 L CB -0.742 41.273 42.059 -0.074 0.000 0.889 693 L HN 0.135 nan 8.230 nan 0.000 0.433 694 I N -0.515 120.047 120.570 -0.014 0.000 2.208 694 I HA -0.271 3.899 4.170 0.001 0.000 0.245 694 I C 2.459 178.632 176.117 0.092 0.000 1.097 694 I CA 1.403 62.737 61.300 0.056 0.000 1.363 694 I CB -1.253 36.795 38.000 0.080 0.000 1.051 694 I HN 0.452 nan 8.210 nan 0.000 0.413 695 E N 1.164 121.400 120.200 0.060 0.000 2.001 695 E HA -0.216 4.134 4.350 0.001 0.000 0.195 695 E C 1.891 178.527 176.600 0.060 0.000 1.002 695 E CA 1.370 57.809 56.400 0.066 0.000 0.819 695 E CB -0.334 29.395 29.700 0.047 0.000 0.769 695 E HN 0.564 nan 8.360 nan 0.000 0.454 696 N N 0.398 119.108 118.700 0.017 0.000 2.334 696 N HA -0.182 4.558 4.740 0.001 0.000 0.187 696 N C 1.682 177.194 175.510 0.004 0.000 1.016 696 N CA 0.466 53.516 53.050 0.000 0.000 0.879 696 N CB -0.052 38.410 38.487 -0.041 0.000 0.965 696 N HN 0.120 nan 8.380 nan 0.000 0.438 697 A N 0.975 123.798 122.820 0.004 0.000 1.898 697 A HA -0.017 4.304 4.320 0.001 0.000 0.214 697 A C 2.078 179.825 177.584 0.272 0.000 1.183 697 A CA 0.718 52.765 52.037 0.016 0.000 0.622 697 A CB -0.235 18.715 19.000 -0.083 0.000 0.824 697 A HN 0.140 nan 8.150 nan 0.000 0.444 698 I N -0.833 119.941 120.570 0.341 0.000 2.235 698 I HA -0.207 3.964 4.170 0.001 0.000 0.241 698 I C 2.783 179.056 176.117 0.260 0.000 1.085 698 I CA 1.292 62.824 61.300 0.387 0.000 1.378 698 I CB -0.409 37.734 38.000 0.238 0.000 1.076 698 I HN 0.432 nan 8.210 nan 0.000 0.415 699 Q N 1.544 121.436 119.800 0.153 0.000 2.029 699 Q HA -0.218 4.122 4.340 0.001 0.000 0.209 699 Q C 2.288 178.346 176.000 0.096 0.000 0.999 699 Q CA 2.599 58.458 55.803 0.094 0.000 0.857 699 Q CB -0.474 28.302 28.738 0.062 0.000 0.926 699 Q HN 0.391 nan 8.270 nan 0.000 0.415 700 V N 1.120 121.101 119.914 0.111 0.000 2.295 700 V HA -0.231 3.889 4.120 0.001 0.000 0.246 700 V C 2.327 178.521 176.094 0.166 0.000 1.049 700 V CA 1.907 64.269 62.300 0.104 0.000 1.024 700 V CB -1.093 30.779 31.823 0.082 0.000 0.648 700 V HN 0.346 nan 8.190 nan 0.000 0.447 701 F N 1.588 121.584 119.950 0.076 0.000 2.161 701 F HA -0.169 4.358 4.527 0.001 0.000 0.300 701 F C 2.100 177.940 175.800 0.067 0.000 1.089 701 F CA 1.168 59.229 58.000 0.102 0.000 1.282 701 F CB -0.747 38.399 39.000 0.244 0.000 1.010 701 F HN 0.087 nan 8.300 nan 0.000 0.485 702 A N 0.360 123.135 122.820 -0.075 0.000 1.838 702 A HA -0.093 4.228 4.320 0.001 0.000 0.215 702 A C 1.951 179.457 177.584 -0.130 0.000 1.273 702 A CA 1.414 53.324 52.037 -0.213 0.000 0.602 702 A CB -1.352 17.595 19.000 -0.087 0.000 0.934 702 A HN 0.335 nan 8.150 nan 0.000 0.461 703 D N -0.577 119.795 120.400 -0.047 0.000 2.242 703 D HA -0.216 4.424 4.640 0.001 0.000 0.190 703 D C 1.997 178.277 176.300 -0.033 0.000 1.012 703 D CA 2.192 56.175 54.000 -0.029 0.000 0.875 703 D CB -0.179 40.620 40.800 -0.001 0.000 0.922 703 D HN 0.569 nan 8.370 nan 0.000 0.448 704 Q N -1.243 118.545 119.800 -0.020 0.000 1.786 704 Q HA 0.349 4.689 4.340 0.001 0.000 0.353 704 Q C 1.757 177.729 176.000 -0.045 0.000 0.943 704 Q CA 0.253 56.047 55.803 -0.014 0.000 0.879 704 Q CB 0.273 29.022 28.738 0.019 0.000 1.049 704 Q HN 0.184 nan 8.270 nan 0.000 0.435 705 I N -0.931 119.620 120.570 -0.032 0.000 4.124 705 I HA -0.525 3.645 4.170 0.001 0.000 0.108 705 I C 0.627 176.727 176.117 -0.029 0.000 0.470 705 I CA 1.502 62.767 61.300 -0.058 0.000 1.213 705 I CB -0.793 37.105 38.000 -0.170 0.000 1.074 705 I HN 0.406 nan 8.210 nan 0.000 0.185 706 D N 1.210 121.593 120.400 -0.029 0.000 2.190 706 D HA -0.155 4.485 4.640 0.001 0.000 0.200 706 D C 1.004 177.299 176.300 -0.008 0.000 0.992 706 D CA 1.390 55.379 54.000 -0.018 0.000 0.854 706 D CB -0.144 40.646 40.800 -0.016 0.000 0.936 706 D HN 0.392 nan 8.370 nan 0.000 0.462 707 D N 0.427 120.826 120.400 -0.001 0.000 2.483 707 D HA 0.049 4.690 4.640 0.001 0.000 0.220 707 D C 1.398 177.696 176.300 -0.003 0.000 1.173 707 D CA -0.121 53.880 54.000 0.002 0.000 0.964 707 D CB 0.100 40.906 40.800 0.009 0.000 1.046 707 D HN 0.147 nan 8.370 nan 0.000 0.517 708 I N 1.900 122.464 120.570 -0.010 0.000 2.182 708 I HA -0.341 3.829 4.170 0.001 0.000 0.248 708 I C 2.380 178.464 176.117 -0.056 0.000 1.073 708 I CA 1.179 62.463 61.300 -0.026 0.000 1.335 708 I CB 0.129 38.121 38.000 -0.014 0.000 1.031 708 I HN 0.429 nan 8.210 nan 0.000 0.420 709 E N 0.379 120.559 120.200 -0.033 0.000 2.013 709 E HA -0.287 4.064 4.350 0.001 0.000 0.202 709 E C 2.103 178.671 176.600 -0.052 0.000 1.018 709 E CA 1.713 58.092 56.400 -0.036 0.000 0.834 709 E CB -0.532 29.163 29.700 -0.009 0.000 0.770 709 E HN 0.325 nan 8.360 nan 0.000 0.459 710 L N 1.419 122.631 121.223 -0.020 0.000 2.079 710 L HA -0.165 4.176 4.340 0.001 0.000 0.210 710 L C 2.549 179.419 176.870 -0.001 0.000 1.081 710 L CA 1.866 56.704 54.840 -0.004 0.000 0.752 710 L CB -0.478 41.596 42.059 0.026 0.000 0.896 710 L HN 0.033 nan 8.230 nan 0.000 0.433 711 R N -1.042 119.467 120.500 0.015 0.000 2.096 711 R HA -0.180 4.160 4.340 0.001 0.000 0.235 711 R C 2.250 178.478 176.300 -0.120 0.000 1.127 711 R CA 1.717 57.867 56.100 0.084 0.000 0.968 711 R CB -0.154 30.194 30.300 0.081 0.000 0.861 711 R HN 0.561 nan 8.270 nan 0.000 0.440 712 Q N -0.459 119.140 119.800 -0.334 0.000 2.079 712 Q HA -0.106 4.234 4.340 0.001 0.000 0.200 712 Q C 2.199 177.882 176.000 -0.528 0.000 0.974 712 Q CA 1.482 56.774 55.803 -0.852 0.000 0.840 712 Q CB 0.041 28.222 28.738 -0.929 0.000 0.898 712 Q HN 0.344 nan 8.270 nan 0.000 0.430 713 R N 0.370 120.736 120.500 -0.223 0.000 2.075 713 R HA -0.035 4.305 4.340 0.001 0.000 0.232 713 R C 1.836 178.057 176.300 -0.132 0.000 1.126 713 R CA 0.819 56.863 56.100 -0.093 0.000 0.963 713 R CB -0.280 29.991 30.300 -0.049 0.000 0.858 713 R HN 0.227 nan 8.270 nan 0.000 0.435 714 L N 1.357 122.468 121.223 -0.188 0.000 2.737 714 L HA -0.066 4.274 4.340 0.001 0.000 0.246 714 L C 1.325 177.940 176.870 -0.424 0.000 1.153 714 L CA 0.023 54.657 54.840 -0.343 0.000 0.920 714 L CB 0.015 41.922 42.059 -0.253 0.000 1.090 714 L HN 0.126 nan 8.230 nan 0.000 0.430 715 L N -1.597 119.496 121.223 -0.216 0.000 2.515 715 L HA 0.124 4.465 4.340 0.001 0.000 0.202 715 L C 2.007 178.956 176.870 0.131 0.000 1.056 715 L CA 0.892 55.701 54.840 -0.051 0.000 0.847 715 L CB -0.148 41.891 42.059 -0.035 0.000 1.131 715 L HN 0.130 nan 8.230 nan 0.000 0.484 716 M N -0.620 119.063 119.600 0.138 0.000 2.374 716 M HA -0.090 4.390 4.480 0.001 0.000 0.264 716 M C 2.145 178.528 176.300 0.139 0.000 1.067 716 M CA 1.252 56.664 55.300 0.188 0.000 1.103 716 M CB -0.998 31.701 32.600 0.165 0.000 1.402 716 M HN 0.242 nan 8.290 nan 0.000 0.444 717 L N -0.254 120.953 121.223 -0.028 0.000 2.027 717 L HA -0.080 4.260 4.340 0.001 0.000 0.206 717 L C 1.935 178.732 176.870 -0.120 0.000 1.074 717 L CA 1.866 56.613 54.840 -0.155 0.000 0.745 717 L CB -0.792 41.030 42.059 -0.395 0.000 0.898 717 L HN 0.029 nan 8.230 nan 0.000 0.433 718 F N -0.979 119.009 119.950 0.064 0.000 2.098 718 F HA -0.099 4.429 4.527 0.001 0.000 0.294 718 F C 2.379 178.351 175.800 0.287 0.000 1.107 718 F CA 1.501 59.601 58.000 0.166 0.000 1.234 718 F CB -1.344 37.726 39.000 0.116 0.000 1.002 718 F HN 0.138 nan 8.300 nan 0.000 0.472 719 F N 1.080 121.209 119.950 0.299 0.000 2.115 719 F HA -0.196 4.331 4.527 0.001 0.000 0.300 719 F C 2.314 178.225 175.800 0.186 0.000 1.092 719 F CA 1.891 60.022 58.000 0.219 0.000 1.245 719 F CB -0.899 38.183 39.000 0.137 0.000 0.995 719 F HN -0.033 nan 8.300 nan 0.000 0.481 720 G N 0.095 109.074 108.800 0.297 0.000 2.448 720 G HA2 -0.127 3.834 3.960 0.001 0.000 0.218 720 G HA3 -0.127 3.834 3.960 0.001 0.000 0.218 720 G C 1.682 176.593 174.900 0.019 0.000 1.135 720 G CA 0.872 46.058 45.100 0.143 0.000 0.784 720 G HN 0.457 nan 8.290 nan 0.000 0.543 721 L N -1.136 120.112 121.223 0.041 0.000 2.127 721 L HA 0.220 4.561 4.340 0.001 0.000 0.203 721 L C 2.401 179.174 176.870 -0.161 0.000 1.080 721 L CA 0.399 55.195 54.840 -0.073 0.000 0.768 721 L CB -0.235 41.782 42.059 -0.070 0.000 0.924 721 L HN 0.105 nan 8.230 nan 0.000 0.444 722 F N 0.357 120.279 119.950 -0.047 0.000 2.502 722 F HA -0.141 4.386 4.527 0.001 0.000 0.298 722 F C 2.434 178.142 175.800 -0.153 0.000 1.111 722 F CA 0.772 58.726 58.000 -0.076 0.000 1.445 722 F CB -0.086 38.869 39.000 -0.076 0.000 1.081 722 F HN 0.059 nan 8.300 nan 0.000 0.558 723 E N 0.544 120.680 120.200 -0.107 0.000 2.110 723 E HA -0.147 4.204 4.350 0.001 0.000 0.193 723 E C 1.488 178.044 176.600 -0.072 0.000 0.988 723 E CA 1.220 57.513 56.400 -0.179 0.000 0.804 723 E CB -0.085 29.482 29.700 -0.222 0.000 0.745 723 E HN 0.195 nan 8.360 nan 0.000 0.458 724 V N -0.376 119.500 119.914 -0.064 0.000 3.140 724 V HA 0.365 4.485 4.120 0.001 0.000 0.379 724 V C 0.366 176.458 176.094 -0.004 0.000 1.296 724 V CA -0.152 62.124 62.300 -0.039 0.000 1.351 724 V CB -0.626 31.160 31.823 -0.062 0.000 1.311 724 V HN 0.036 nan 8.190 nan 0.000 0.508 725 I N 2.443 123.029 120.570 0.027 0.000 2.390 725 I HA 0.451 4.621 4.170 0.001 0.000 0.283 725 I C -2.583 173.591 176.117 0.095 0.000 1.016 725 I CA -1.954 59.410 61.300 0.108 0.000 1.151 725 I CB 2.543 40.601 38.000 0.098 0.000 1.293 725 I HN 0.188 nan 8.210 nan 0.000 0.458 726 P HA 0.153 nan 4.420 nan 0.000 0.276 726 P C -0.864 176.458 177.300 0.037 0.000 1.243 726 P CA -0.132 62.996 63.100 0.046 0.000 0.768 726 P CB 0.634 32.353 31.700 0.031 0.000 0.856 727 D N 2.509 122.930 120.400 0.035 0.000 3.088 727 D HA 0.185 4.826 4.640 0.001 0.000 0.310 727 D C -0.598 175.711 176.300 0.015 0.000 1.351 727 D CA -0.141 53.878 54.000 0.031 0.000 0.921 727 D CB -0.728 40.099 40.800 0.046 0.000 1.045 727 D HN 0.203 nan 8.370 nan 0.000 0.504 728 N N 0.074 118.776 118.700 0.004 0.000 2.703 728 N HA 0.341 5.082 4.740 0.001 0.000 0.283 728 N C 0.802 176.306 175.510 -0.010 0.000 1.851 728 N CA -0.077 52.973 53.050 -0.001 0.000 0.826 728 N CB 1.463 39.950 38.487 0.000 0.000 1.239 728 N HN 0.250 nan 8.380 nan 0.000 0.495 729 G N 0.900 109.692 108.800 -0.014 0.000 5.059 729 G HA2 -0.510 3.450 3.960 0.001 0.000 0.336 729 G HA3 -0.510 3.450 3.960 0.001 0.000 0.336 729 G C 1.056 175.934 174.900 -0.036 0.000 1.364 729 G CA 1.471 46.558 45.100 -0.022 0.000 1.020 729 G HN 0.534 nan 8.290 nan 0.000 0.807 730 T N 0.196 114.731 114.554 -0.031 0.000 9.451 730 T HA -0.394 3.956 4.350 0.001 0.000 0.410 730 T C 0.966 175.630 174.700 -0.061 0.000 1.511 730 T CA 2.270 64.347 62.100 -0.039 0.000 2.484 730 T CB -1.264 67.581 68.868 -0.037 0.000 2.946 730 T HN 2.142 nan 8.240 nan 0.000 1.216 731 N N 0.547 119.202 118.700 -0.075 0.000 2.816 731 N HA -0.152 4.588 4.740 0.001 0.000 0.247 731 N C 0.407 175.816 175.510 -0.167 0.000 1.100 731 N CA 1.391 54.383 53.050 -0.097 0.000 0.687 731 N CB -0.449 37.996 38.487 -0.069 0.000 1.003 731 N HN 0.688 nan 8.380 nan 0.000 0.554 732 E N -0.406 119.659 120.200 -0.225 0.000 2.933 732 E HA 0.176 4.527 4.350 0.001 0.000 0.246 732 E C 1.669 177.957 176.600 -0.520 0.000 1.066 732 E CA 0.823 56.951 56.400 -0.453 0.000 0.984 732 E CB -0.535 28.977 29.700 -0.314 0.000 2.860 732 E HN 0.200 nan 8.360 nan 0.000 0.586 733 V N -1.138 118.595 119.914 -0.302 0.000 1.106 733 V HA -0.386 3.734 4.120 0.001 0.000 0.035 733 V C -0.079 175.981 176.094 -0.056 0.000 2.098 733 V CA 2.051 64.278 62.300 -0.122 0.000 3.032 733 V CB -2.560 29.223 31.823 -0.066 0.000 1.433 733 V HN 0.516 nan 8.190 nan 0.000 0.979 734 Y N -1.308 118.977 120.300 -0.024 0.000 2.643 734 Y HA -0.090 4.461 4.550 0.001 0.000 0.062 734 Y C -0.551 175.338 175.900 -0.019 0.000 1.809 734 Y CA 0.101 58.177 58.100 -0.040 0.000 1.309 734 Y CB -1.743 36.658 38.460 -0.098 0.000 1.957 734 Y HN 0.333 nan 8.280 nan 0.000 0.277 735 P HA -0.238 nan 4.420 nan 0.000 0.202 735 P C 1.643 178.996 177.300 0.088 0.000 1.121 735 P CA 2.156 65.303 63.100 0.078 0.000 0.939 735 P CB 0.092 31.830 31.700 0.063 0.000 0.761 736 L N -1.953 119.322 121.223 0.086 0.000 2.119 736 L HA -0.238 4.103 4.340 0.001 0.000 0.226 736 L C 2.318 179.236 176.870 0.079 0.000 1.093 736 L CA 2.080 56.966 54.840 0.075 0.000 0.806 736 L CB -2.078 40.024 42.059 0.071 0.000 0.902 736 L HN 0.022 nan 8.230 nan 0.000 0.444 737 L N -1.388 119.883 121.223 0.079 0.000 2.585 737 L HA 0.042 4.383 4.340 0.001 0.000 0.226 737 L C 2.500 179.503 176.870 0.222 0.000 1.113 737 L CA 0.296 55.204 54.840 0.113 0.000 0.876 737 L CB -0.377 41.624 42.059 -0.097 0.000 1.072 737 L HN 0.452 nan 8.230 nan 0.000 0.468 738 Q N 0.434 120.325 119.800 0.153 0.000 2.123 738 Q HA -0.102 4.238 4.340 0.001 0.000 0.196 738 Q C 1.443 177.501 176.000 0.096 0.000 0.958 738 Q CA 1.135 57.025 55.803 0.145 0.000 0.841 738 Q CB 0.024 28.819 28.738 0.095 0.000 0.915 738 Q HN 0.484 nan 8.270 nan 0.000 0.455 739 E N 0.995 121.238 120.200 0.072 0.000 2.083 739 E HA 0.061 4.411 4.350 0.001 0.000 0.193 739 E C -0.110 176.513 176.600 0.038 0.000 0.950 739 E CA -0.116 56.312 56.400 0.047 0.000 0.849 739 E CB 0.134 29.857 29.700 0.038 0.000 0.827 739 E HN 0.230 nan 8.360 nan 0.000 0.465 740 N N 3.017 121.742 118.700 0.041 0.000 1.754 740 N HA -0.183 4.558 4.740 0.001 0.000 0.295 740 N C 0.718 176.238 175.510 0.017 0.000 1.315 740 N CA 0.211 53.280 53.050 0.032 0.000 0.950 740 N CB 0.160 38.671 38.487 0.039 0.000 1.311 740 N HN 0.179 nan 8.380 nan 0.000 0.479 741 Q N 2.851 122.657 119.800 0.011 0.000 2.291 741 Q HA -0.165 4.175 4.340 0.001 0.000 0.205 741 Q C 0.917 176.913 176.000 -0.008 0.000 0.970 741 Q CA 1.164 56.967 55.803 -0.000 0.000 0.876 741 Q CB 0.234 28.971 28.738 -0.001 0.000 0.935 741 Q HN 0.542 nan 8.270 nan 0.000 0.455 742 K N 0.510 120.910 120.400 -0.001 0.000 2.020 742 K HA -0.181 4.139 4.320 0.001 0.000 0.212 742 K C 2.278 178.871 176.600 -0.011 0.000 1.050 742 K CA 1.180 57.462 56.287 -0.008 0.000 0.929 742 K CB -0.462 32.045 32.500 0.012 0.000 0.714 742 K HN 0.271 nan 8.250 nan 0.000 0.443 743 L N 1.442 122.668 121.223 0.004 0.000 1.956 743 L HA -0.302 4.039 4.340 0.001 0.000 0.216 743 L C 2.755 179.616 176.870 -0.015 0.000 1.073 743 L CA 1.751 56.586 54.840 -0.008 0.000 0.762 743 L CB -0.425 41.585 42.059 -0.081 0.000 0.889 743 L HN 0.255 nan 8.230 nan 0.000 0.433 744 K N -0.186 120.195 120.400 -0.032 0.000 2.001 744 K HA -0.336 3.985 4.320 0.001 0.000 0.223 744 K C 1.738 178.323 176.600 -0.026 0.000 1.055 744 K CA 2.679 58.944 56.287 -0.037 0.000 0.965 744 K CB -0.306 32.178 32.500 -0.028 0.000 0.730 744 K HN 0.286 nan 8.250 nan 0.000 0.449 745 D N -0.892 119.490 120.400 -0.029 0.000 2.219 745 D HA -0.045 4.595 4.640 0.001 0.000 0.205 745 D C 1.582 177.843 176.300 -0.064 0.000 0.970 745 D CA 1.047 55.023 54.000 -0.039 0.000 0.851 745 D CB 0.031 40.807 40.800 -0.039 0.000 0.943 745 D HN 0.419 nan 8.370 nan 0.000 0.488 746 A N -0.182 122.585 122.820 -0.087 0.000 1.902 746 A HA -0.120 4.200 4.320 0.001 0.000 0.217 746 A C 2.186 179.692 177.584 -0.130 0.000 1.181 746 A CA 0.949 52.847 52.037 -0.231 0.000 0.623 746 A CB -0.725 18.084 19.000 -0.319 0.000 0.818 746 A HN 0.293 nan 8.150 nan 0.000 0.443 747 L N -0.219 121.061 121.223 0.095 0.000 2.046 747 L HA -0.209 4.131 4.340 0.001 0.000 0.208 747 L C 2.342 179.257 176.870 0.076 0.000 1.077 747 L CA 1.446 56.397 54.840 0.185 0.000 0.747 747 L CB -0.625 41.484 42.059 0.082 0.000 0.896 747 L HN 0.339 nan 8.230 nan 0.000 0.432 748 N N -0.241 118.468 118.700 0.016 0.000 2.039 748 N HA -0.245 4.495 4.740 0.001 0.000 0.193 748 N C 1.712 177.219 175.510 -0.005 0.000 1.044 748 N CA 1.417 54.468 53.050 0.001 0.000 0.847 748 N CB -0.454 38.024 38.487 -0.015 0.000 1.030 748 N HN 0.149 nan 8.380 nan 0.000 0.422 749 M N 0.713 120.292 119.600 -0.036 0.000 2.255 749 M HA -0.110 4.371 4.480 0.001 0.000 0.259 749 M C 1.570 177.853 176.300 -0.028 0.000 1.071 749 M CA 1.292 56.561 55.300 -0.051 0.000 1.074 749 M CB -0.427 32.111 32.600 -0.104 0.000 1.384 749 M HN 0.015 nan 8.290 nan 0.000 0.415 750 S N -0.153 115.550 115.700 0.005 0.000 2.335 750 S HA 0.002 4.472 4.470 0.001 0.000 0.217 750 S C 1.456 176.090 174.600 0.058 0.000 1.032 750 S CA 1.028 59.261 58.200 0.056 0.000 0.985 750 S CB -0.504 62.794 63.200 0.164 0.000 0.896 750 S HN 0.507 nan 8.310 nan 0.000 0.445 751 L N 2.105 123.364 121.223 0.060 0.000 2.642 751 L HA 0.097 4.438 4.340 0.001 0.000 0.236 751 L C 0.725 177.615 176.870 0.033 0.000 1.169 751 L CA 1.186 56.057 54.840 0.052 0.000 0.851 751 L CB -0.856 41.231 42.059 0.047 0.000 0.968 751 L HN 0.091 nan 8.230 nan 0.000 0.453 752 K N 0.551 120.965 120.400 0.023 0.000 3.322 752 K HA 0.061 4.382 4.320 0.001 0.000 0.291 752 K C 0.345 176.954 176.600 0.015 0.000 1.131 752 K CA -0.170 56.124 56.287 0.012 0.000 1.185 752 K CB -0.319 32.181 32.500 0.001 0.000 1.338 752 K HN 0.176 nan 8.250 nan 0.000 0.380 753 R N -1.191 119.323 120.500 0.023 0.000 3.679 753 R HA -0.221 4.119 4.340 0.001 0.000 0.268 753 R C 1.047 177.360 176.300 0.021 0.000 1.129 753 R CA 0.415 56.530 56.100 0.025 0.000 0.747 753 R CB -1.982 28.330 30.300 0.019 0.000 1.116 753 R HN 0.550 nan 8.270 nan 0.000 0.488 754 G N 0.833 109.645 108.800 0.020 0.000 2.990 754 G HA2 -0.062 3.898 3.960 0.001 0.000 0.206 754 G HA3 -0.062 3.898 3.960 0.001 0.000 0.206 754 G C 0.037 174.949 174.900 0.020 0.000 1.169 754 G CA 0.437 45.544 45.100 0.013 0.000 0.819 754 G HN 0.551 nan 8.290 nan 0.000 0.517 755 D N -1.182 119.237 120.400 0.031 0.000 3.241 755 D HA -0.164 4.477 4.640 0.001 0.000 0.248 755 D C 1.316 177.648 176.300 0.053 0.000 1.093 755 D CA 0.727 54.752 54.000 0.042 0.000 0.940 755 D CB -1.071 39.749 40.800 0.033 0.000 0.980 755 D HN 0.158 nan 8.370 nan 0.000 0.421 756 S N 0.526 116.271 115.700 0.076 0.000 2.478 756 S HA 0.486 4.957 4.470 0.001 0.000 0.222 756 S C 1.124 175.858 174.600 0.225 0.000 1.008 756 S CA 0.372 58.622 58.200 0.084 0.000 0.928 756 S CB 0.802 64.063 63.200 0.103 0.000 0.781 756 S HN 1.190 nan 8.310 nan 0.000 0.518 757 G N 1.798 110.718 108.800 0.200 0.000 2.617 757 G HA2 -0.064 3.896 3.960 0.001 0.000 0.686 757 G HA3 -0.064 3.896 3.960 0.001 0.000 0.686 757 G C -2.489 172.497 174.900 0.144 0.000 1.214 757 G CA -0.450 44.779 45.100 0.215 0.000 0.796 757 G HN -0.020 nan 8.290 nan 0.000 0.654 758 P HA -0.054 nan 4.420 nan 0.000 0.215 758 P C 1.123 178.389 177.300 -0.058 0.000 1.157 758 P CA 1.458 64.560 63.100 0.003 0.000 0.863 758 P CB 0.132 31.821 31.700 -0.018 0.000 0.787 759 E N -1.353 118.744 120.200 -0.171 0.000 2.510 759 E HA -0.053 4.297 4.350 0.001 0.000 0.202 759 E C 1.226 177.499 176.600 -0.545 0.000 1.072 759 E CA 0.644 56.819 56.400 -0.374 0.000 0.883 759 E CB -0.598 28.803 29.700 -0.498 0.000 0.818 759 E HN 0.414 nan 8.360 nan 0.000 0.548 760 F N -0.850 119.065 119.950 -0.059 0.000 2.640 760 F HA 0.129 4.656 4.527 0.000 0.000 0.285 760 F C 2.236 178.027 175.800 -0.014 0.000 1.031 760 F CA 0.076 58.047 58.000 -0.048 0.000 1.240 760 F CB -0.279 38.714 39.000 -0.012 0.000 1.011 760 F HN -0.173 nan 8.300 nan 0.000 0.656 761 S N 0.606 116.413 115.700 0.178 0.000 2.400 761 S HA -0.187 4.284 4.470 0.001 0.000 0.232 761 S C 2.180 176.825 174.600 0.076 0.000 1.025 761 S CA 1.173 59.441 58.200 0.115 0.000 0.993 761 S CB -0.612 62.636 63.200 0.080 0.000 0.808 761 S HN 0.316 nan 8.310 nan 0.000 0.478 762 A N 0.502 123.342 122.820 0.034 0.000 2.209 762 A HA 0.415 4.735 4.320 0.001 0.000 0.212 762 A C 2.001 179.618 177.584 0.055 0.000 1.158 762 A CA 1.162 53.208 52.037 0.015 0.000 0.742 762 A CB -0.461 18.514 19.000 -0.042 0.000 0.790 762 A HN 0.496 nan 8.150 nan 0.000 0.472 763 A N -0.036 122.837 122.820 0.088 0.000 1.963 763 A HA 0.224 4.544 4.320 0.001 0.000 0.207 763 A C 1.873 179.587 177.584 0.217 0.000 1.243 763 A CA 0.671 52.850 52.037 0.236 0.000 0.728 763 A CB -0.399 18.734 19.000 0.221 0.000 0.895 763 A HN 0.381 nan 8.150 nan 0.000 0.467 764 I N 1.235 121.893 120.570 0.148 0.000 2.143 764 I HA -0.243 3.928 4.170 0.001 0.000 0.245 764 I C -0.291 175.845 176.117 0.032 0.000 1.068 764 I CA 1.997 63.350 61.300 0.088 0.000 1.326 764 I CB -1.585 36.472 38.000 0.095 0.000 1.028 764 I HN 0.280 nan 8.210 nan 0.000 0.412 765 P HA -0.120 nan 4.420 nan 0.000 0.213 765 P C 2.002 179.299 177.300 -0.004 0.000 1.170 765 P CA 1.653 64.763 63.100 0.016 0.000 0.898 765 P CB -0.191 31.527 31.700 0.031 0.000 0.787 766 V N 0.925 120.861 119.914 0.038 0.000 2.278 766 V HA -0.262 3.858 4.120 0.001 0.000 0.251 766 V C 2.833 178.879 176.094 -0.080 0.000 1.062 766 V CA 1.949 64.262 62.300 0.021 0.000 1.038 766 V CB -1.405 30.485 31.823 0.112 0.000 0.646 766 V HN -0.006 nan 8.190 nan 0.000 0.447 767 I N -0.578 119.919 120.570 -0.122 0.000 2.264 767 I HA -0.259 3.911 4.170 0.001 0.000 0.248 767 I C 2.325 178.118 176.117 -0.540 0.000 1.111 767 I CA 1.579 62.619 61.300 -0.433 0.000 1.382 767 I CB -0.317 37.466 38.000 -0.362 0.000 1.060 767 I HN 0.278 nan 8.210 nan 0.000 0.418 768 L N 0.355 121.415 121.223 -0.271 0.000 2.109 768 L HA -0.108 4.232 4.340 0.001 0.000 0.207 768 L C 2.853 179.639 176.870 -0.141 0.000 1.086 768 L CA 0.977 55.696 54.840 -0.201 0.000 0.760 768 L CB -0.688 41.309 42.059 -0.103 0.000 0.910 768 L HN 0.201 nan 8.230 nan 0.000 0.437 769 A N 0.882 123.642 122.820 -0.100 0.000 2.054 769 A HA -0.225 4.096 4.320 0.001 0.000 0.223 769 A C 1.566 179.129 177.584 -0.035 0.000 1.169 769 A CA 1.881 53.888 52.037 -0.050 0.000 0.655 769 A CB -0.448 18.535 19.000 -0.028 0.000 0.812 769 A HN 0.549 nan 8.150 nan 0.000 0.462 770 K N -1.179 119.188 120.400 -0.054 0.000 3.045 770 K HA 0.636 4.956 4.320 0.001 0.000 0.211 770 K C -0.399 176.251 176.600 0.083 0.000 1.141 770 K CA -0.186 56.123 56.287 0.036 0.000 1.036 770 K CB 0.030 32.603 32.500 0.121 0.000 0.851 770 K HN 0.498 nan 8.250 nan 0.000 0.462 771 I N 0.000 120.576 120.570 0.009 0.000 2.984 771 I HA 0.000 4.170 4.170 0.001 0.000 0.288 771 I CA 0.000 61.328 61.300 0.046 0.000 1.566 771 I CB 0.000 37.978 38.000 -0.036 0.000 1.214 771 I HN 0.000 nan 8.210 nan 0.000 0.494