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 3ubp_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKINRQQYAE SYGPTVGDEV RLADTDLWIE VEKDYTTYGD EVNFGGGKVL DATA SEQUENCE REGMGENGTY TRTENVLDLL LTNALILDYT GIYKADIGVK DGYIVGIGKG DATA SEQUENCE GNPDIMDGVT PNMIVGTATE VIAAEGKIVT AGGIDTHVHF INPDQVDVAL DATA SEQUENCE ANGITTLFGG GTGPAEGSKA TTVTPGPWNI EKMLKSTEGL PINVGILGKG DATA SEQUENCE HGSSIAPIME QIDAGAAGLX IHEDWGATPA SIDRSLTVAD EADVQVAIHS DATA SEQUENCE DTLNEAGFLE DTLRAINGRV IHSFHVEGAG GGHAPDIMAM AGHPNVLPSS DATA SEQUENCE TNPTRPFTVN TIDEHLDMLM VCHHLKQNIP EDVAFADSRI RPETIAAEDI DATA SEQUENCE LHDLGIISMM STDALAMGRA GEMVLRTWQT ADKMKKQRGP LAEEKNGSDN DATA SEQUENCE FRLKRYVSKY TINPAIAQGI AHEVGSIEEG KFADLVLWEP KFFGVKADRV DATA SEQUENCE IKGGIIAYAQ IGDPSASIPT PQPVMGRRMY GTVGDLIHDT NITFMSKSSI DATA SEQUENCE QQGVPAKLGL KRRIGTVKNC RNIGKKDMKW NDVTTDIDIN PETYEVKVDG DATA SEQUENCE EVLTCEPVKE LPMAQRYFLF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.019 0.000 1.140 1 M CA 0.000 55.313 55.300 0.021 0.000 0.988 1 M CB 0.000 32.617 32.600 0.029 0.000 1.302 2 K N 4.298 124.706 120.400 0.014 0.000 2.375 2 K HA 0.779 5.099 4.320 -0.000 0.000 0.249 2 K C -1.269 175.342 176.600 0.019 0.000 0.942 2 K CA -0.793 55.495 56.287 0.002 0.000 0.806 2 K CB 2.791 35.282 32.500 -0.015 0.000 1.227 2 K HN 0.592 nan 8.250 nan 0.000 0.430 3 I N 2.372 122.957 120.570 0.025 0.000 2.433 3 I HA 0.167 4.337 4.170 -0.000 0.000 0.292 3 I C 0.131 176.275 176.117 0.045 0.000 1.001 3 I CA -1.144 60.198 61.300 0.071 0.000 1.119 3 I CB 1.474 39.584 38.000 0.183 0.000 1.289 3 I HN 0.648 nan 8.210 nan 0.000 0.438 4 N N 6.053 124.780 118.700 0.045 0.000 2.415 4 N HA 0.122 4.862 4.740 -0.000 0.000 0.248 4 N C 0.667 176.212 175.510 0.060 0.000 1.271 4 N CA -0.152 52.915 53.050 0.027 0.000 0.913 4 N CB 0.885 39.383 38.487 0.019 0.000 1.129 4 N HN 0.435 nan 8.380 nan 0.000 0.444 5 R N 0.283 120.803 120.500 0.034 0.000 2.096 5 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 5 R C 1.674 178.040 176.300 0.111 0.000 1.127 5 R CA 1.259 57.396 56.100 0.061 0.000 0.968 5 R CB -0.734 29.575 30.300 0.015 0.000 0.861 5 R HN 0.735 nan 8.270 nan 0.000 0.440 6 Q N 1.254 121.097 119.800 0.070 0.000 2.050 6 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 6 Q C 1.912 177.949 176.000 0.062 0.000 0.980 6 Q CA 1.773 57.612 55.803 0.060 0.000 0.840 6 Q CB -0.016 28.743 28.738 0.034 0.000 0.898 6 Q HN 0.381 nan 8.270 nan 0.000 0.424 7 Q N -1.579 118.258 119.800 0.063 0.000 2.123 7 Q HA -0.138 4.201 4.340 -0.000 0.000 0.199 7 Q C 1.723 177.753 176.000 0.051 0.000 0.966 7 Q CA 1.274 57.098 55.803 0.036 0.000 0.845 7 Q CB -0.246 28.512 28.738 0.033 0.000 0.907 7 Q HN 0.470 nan 8.270 nan 0.000 0.439 8 Y N 1.023 121.350 120.300 0.044 0.000 2.097 8 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 8 Y C 2.269 178.245 175.900 0.126 0.000 1.152 8 Y CA 1.708 59.889 58.100 0.134 0.000 1.136 8 Y CB -0.351 38.171 38.460 0.102 0.000 0.975 8 Y HN 0.107 nan 8.280 nan 0.000 0.498 9 A N -0.049 122.923 122.820 0.252 0.000 1.902 9 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 9 A C 2.042 179.634 177.584 0.015 0.000 1.181 9 A CA 1.841 53.980 52.037 0.169 0.000 0.623 9 A CB -0.793 18.304 19.000 0.163 0.000 0.818 9 A HN 0.636 nan 8.150 nan 0.000 0.443 10 E N -0.200 119.986 120.200 -0.025 0.000 2.070 10 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 10 E C 2.315 178.803 176.600 -0.187 0.000 1.004 10 E CA 1.677 58.030 56.400 -0.078 0.000 0.805 10 E CB -0.099 29.562 29.700 -0.065 0.000 0.744 10 E HN 0.609 nan 8.360 nan 0.000 0.451 11 S N -0.682 114.797 115.700 -0.368 0.000 2.377 11 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 11 S C 0.989 175.133 174.600 -0.761 0.000 1.030 11 S CA 0.848 58.635 58.200 -0.689 0.000 0.970 11 S CB 0.039 62.541 63.200 -1.164 0.000 0.830 11 S HN 0.292 nan 8.310 nan 0.000 0.473 12 Y N 0.830 120.970 120.300 -0.266 0.000 2.527 12 Y HA 0.474 5.024 4.550 -0.000 0.000 0.247 12 Y C 1.135 177.001 175.900 -0.057 0.000 1.138 12 Y CA -0.182 57.790 58.100 -0.213 0.000 1.228 12 Y CB 0.190 38.377 38.460 -0.455 0.000 1.252 12 Y HN 0.303 nan 8.280 nan 0.000 0.531 13 G N 1.291 110.133 108.800 0.071 0.000 2.756 13 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.678 13 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.678 13 G C -3.009 172.025 174.900 0.223 0.000 1.349 13 G CA -1.218 43.957 45.100 0.124 0.000 0.847 13 G HN -0.059 nan 8.290 nan 0.000 0.548 14 P HA 0.478 nan 4.420 nan 0.000 0.274 14 P C 0.064 177.528 177.300 0.274 0.000 1.237 14 P CA 0.279 63.514 63.100 0.226 0.000 0.793 14 P CB 1.696 33.481 31.700 0.141 0.000 0.977 15 T N -0.394 114.305 114.554 0.242 0.000 2.742 15 T HA 0.308 4.658 4.350 -0.000 0.000 0.282 15 T C -0.550 174.223 174.700 0.122 0.000 1.025 15 T CA -0.772 61.450 62.100 0.203 0.000 1.020 15 T CB 0.658 69.643 68.868 0.194 0.000 1.317 15 T HN 0.094 nan 8.240 nan 0.000 0.538 16 V N 2.322 122.304 119.914 0.114 0.000 2.678 16 V HA 0.288 4.408 4.120 -0.000 0.000 0.304 16 V C 1.939 178.064 176.094 0.052 0.000 1.086 16 V CA 1.580 63.927 62.300 0.079 0.000 1.246 16 V CB -0.278 31.585 31.823 0.066 0.000 0.861 16 V HN 1.367 nan 8.190 nan 0.000 0.491 17 G N 3.417 112.248 108.800 0.050 0.000 2.225 17 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.254 17 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.254 17 G C -0.020 174.900 174.900 0.035 0.000 0.988 17 G CA 0.151 45.271 45.100 0.033 0.000 0.625 17 G HN 0.707 nan 8.290 nan 0.000 0.527 18 D N 1.457 121.889 120.400 0.053 0.000 2.372 18 D HA 0.507 5.147 4.640 -0.000 0.000 0.243 18 D C 0.612 176.961 176.300 0.081 0.000 1.121 18 D CA 0.428 54.467 54.000 0.065 0.000 0.898 18 D CB 0.810 41.664 40.800 0.091 0.000 1.202 18 D HN 0.575 nan 8.370 nan 0.000 0.428 19 E N -0.021 120.242 120.200 0.105 0.000 2.256 19 E HA 0.543 4.892 4.350 -0.000 0.000 0.267 19 E C -1.012 175.755 176.600 0.278 0.000 0.892 19 E CA -0.978 55.531 56.400 0.181 0.000 0.775 19 E CB 2.410 32.219 29.700 0.182 0.000 1.207 19 E HN 0.049 nan 8.360 nan 0.000 0.420 20 V N 2.215 122.262 119.914 0.222 0.000 2.588 20 V HA 0.363 4.483 4.120 -0.000 0.000 0.304 20 V C -0.038 175.949 176.094 -0.180 0.000 1.042 20 V CA -0.896 61.442 62.300 0.063 0.000 0.877 20 V CB 1.711 33.495 31.823 -0.065 0.000 0.996 20 V HN 0.585 nan 8.190 nan 0.000 0.425 21 R N 3.888 124.064 120.500 -0.541 0.000 2.438 21 R HA 0.431 4.771 4.340 -0.000 0.000 0.287 21 R C -0.876 175.057 176.300 -0.611 0.000 1.077 21 R CA -0.491 54.974 56.100 -1.058 0.000 1.034 21 R CB 0.519 30.059 30.300 -1.268 0.000 0.993 21 R HN 0.697 nan 8.270 nan 0.000 0.459 22 L N 6.062 126.928 121.223 -0.595 0.000 2.283 22 L HA 0.236 4.576 4.340 -0.000 0.000 0.287 22 L C 1.176 177.881 176.870 -0.275 0.000 1.073 22 L CA 0.218 54.765 54.840 -0.488 0.000 0.822 22 L CB 0.628 42.321 42.059 -0.610 0.000 1.186 22 L HN 1.098 nan 8.230 nan 0.000 0.436 23 A N 4.082 126.805 122.820 -0.161 0.000 5.483 23 A HA -0.323 3.997 4.320 -0.000 0.000 0.309 23 A C 0.838 178.385 177.584 -0.061 0.000 1.898 23 A CA 1.483 53.482 52.037 -0.064 0.000 0.716 23 A CB -1.106 17.845 19.000 -0.082 0.000 1.309 23 A HN 0.970 nan 8.150 nan 0.000 0.380 24 D N 0.039 120.464 120.400 0.042 0.000 2.463 24 D HA 0.330 4.970 4.640 -0.000 0.000 0.224 24 D C 0.767 177.051 176.300 -0.026 0.000 1.174 24 D CA 1.032 55.035 54.000 0.006 0.000 0.829 24 D CB -1.124 39.719 40.800 0.073 0.000 0.993 24 D HN 1.095 nan 8.370 nan 0.000 0.497 25 T N -2.687 111.820 114.554 -0.077 0.000 2.732 25 T HA 0.152 4.502 4.350 -0.000 0.000 0.287 25 T C 0.483 175.096 174.700 -0.144 0.000 0.993 25 T CA -0.424 61.629 62.100 -0.078 0.000 0.966 25 T CB 1.334 70.158 68.868 -0.073 0.000 1.047 25 T HN -0.171 nan 8.240 nan 0.000 0.527 26 D N -0.705 119.647 120.400 -0.080 0.000 2.388 26 D HA 0.232 4.872 4.640 -0.000 0.000 0.221 26 D C -0.136 176.137 176.300 -0.045 0.000 1.133 26 D CA -0.273 53.712 54.000 -0.026 0.000 0.831 26 D CB -0.587 40.261 40.800 0.081 0.000 0.962 26 D HN 0.465 nan 8.370 nan 0.000 0.502 27 L N 0.619 121.726 121.223 -0.193 0.000 2.292 27 L HA 0.410 4.750 4.340 -0.000 0.000 0.284 27 L C -0.654 175.989 176.870 -0.379 0.000 1.065 27 L CA -0.677 54.074 54.840 -0.148 0.000 0.806 27 L CB 0.984 42.983 42.059 -0.101 0.000 1.175 27 L HN -0.025 nan 8.230 nan 0.000 0.431 28 W N 4.920 126.176 121.300 -0.072 0.000 2.538 28 W HA 0.580 5.239 4.660 -0.000 0.000 0.322 28 W C -0.182 176.280 176.519 -0.094 0.000 1.028 28 W CA -0.504 56.789 57.345 -0.086 0.000 1.228 28 W CB 1.415 30.846 29.460 -0.048 0.000 1.356 28 W HN 0.248 nan 8.180 nan 0.000 0.452 29 I N -0.263 120.330 120.570 0.038 0.000 2.437 29 I HA 0.621 4.791 4.170 -0.000 0.000 0.298 29 I C -0.324 175.829 176.117 0.059 0.000 0.984 29 I CA -0.955 60.343 61.300 -0.003 0.000 1.214 29 I CB 1.948 39.862 38.000 -0.144 0.000 1.365 29 I HN 0.399 nan 8.210 nan 0.000 0.469 30 E N 4.476 124.712 120.200 0.059 0.000 2.183 30 E HA 0.421 4.771 4.350 -0.000 0.000 0.271 30 E C -1.161 175.478 176.600 0.065 0.000 0.919 30 E CA -0.954 55.486 56.400 0.068 0.000 0.781 30 E CB 2.164 31.903 29.700 0.064 0.000 1.140 30 E HN 0.618 nan 8.360 nan 0.000 0.402 31 V N 4.966 124.924 119.914 0.074 0.000 2.493 31 V HA -0.060 4.060 4.120 -0.000 0.000 0.292 31 V C 0.909 177.064 176.094 0.102 0.000 1.016 31 V CA 0.764 63.121 62.300 0.096 0.000 1.097 31 V CB 0.667 32.555 31.823 0.109 0.000 0.947 31 V HN 0.860 nan 8.190 nan 0.000 0.479 32 E N 3.688 123.967 120.200 0.131 0.000 2.190 32 E HA 0.059 4.409 4.350 -0.000 0.000 0.191 32 E C 0.536 177.184 176.600 0.081 0.000 0.978 32 E CA 0.517 56.982 56.400 0.108 0.000 0.839 32 E CB 0.326 30.101 29.700 0.124 0.000 0.787 32 E HN 0.834 nan 8.360 nan 0.000 0.473 33 K N -0.205 120.261 120.400 0.111 0.000 2.642 33 K HA 0.359 4.678 4.320 -0.000 0.000 0.290 33 K C -1.996 174.651 176.600 0.079 0.000 1.006 33 K CA -0.907 55.392 56.287 0.020 0.000 0.869 33 K CB 1.823 34.264 32.500 -0.098 0.000 1.499 33 K HN -0.209 nan 8.250 nan 0.000 0.403 34 D N 0.530 120.909 120.400 -0.035 0.000 2.890 34 D HA 0.260 4.900 4.640 -0.000 0.000 0.233 34 D C -0.857 175.389 176.300 -0.089 0.000 1.306 34 D CA -0.472 53.562 54.000 0.056 0.000 0.929 34 D CB 1.107 41.949 40.800 0.070 0.000 1.512 34 D HN 0.593 nan 8.370 nan 0.000 0.568 35 Y N 1.420 121.741 120.300 0.036 0.000 2.529 35 Y HA 0.079 4.629 4.550 -0.000 0.000 0.290 35 Y C 1.725 177.594 175.900 -0.052 0.000 1.177 35 Y CA 0.378 58.474 58.100 -0.006 0.000 1.305 35 Y CB 0.289 38.775 38.460 0.044 0.000 1.047 35 Y HN 0.277 nan 8.280 nan 0.000 0.522 36 T N -0.124 114.444 114.554 0.023 0.000 2.726 36 T HA 0.117 4.467 4.350 -0.000 0.000 0.294 36 T C 0.234 174.820 174.700 -0.190 0.000 1.013 36 T CA -0.012 62.056 62.100 -0.053 0.000 0.996 36 T CB 0.472 69.324 68.868 -0.028 0.000 1.016 36 T HN -0.005 nan 8.240 nan 0.000 0.529 37 T N 3.410 117.881 114.554 -0.138 0.000 2.842 37 T HA 0.352 4.702 4.350 -0.000 0.000 0.308 37 T C -1.031 173.621 174.700 -0.080 0.000 1.041 37 T CA -0.281 61.731 62.100 -0.146 0.000 0.964 37 T CB -0.123 68.714 68.868 -0.050 0.000 0.972 37 T HN 0.437 nan 8.240 nan 0.000 0.460 38 Y N 2.048 122.340 120.300 -0.014 0.000 2.805 38 Y HA 0.292 4.842 4.550 -0.000 0.000 0.331 38 Y C 1.697 177.590 175.900 -0.012 0.000 1.241 38 Y CA 1.212 59.302 58.100 -0.016 0.000 1.546 38 Y CB -0.257 38.177 38.460 -0.044 0.000 1.248 38 Y HN 0.994 nan 8.280 nan 0.000 0.559 39 G N 2.356 111.238 108.800 0.136 0.000 2.254 39 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.225 39 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.225 39 G C 0.619 175.539 174.900 0.032 0.000 1.003 39 G CA 0.185 45.326 45.100 0.069 0.000 0.622 39 G HN 0.552 nan 8.290 nan 0.000 0.507 40 D N 1.396 121.810 120.400 0.023 0.000 2.462 40 D HA 0.317 4.956 4.640 -0.000 0.000 0.221 40 D C 0.642 176.947 176.300 0.009 0.000 1.173 40 D CA -0.054 53.957 54.000 0.019 0.000 0.831 40 D CB 0.315 41.129 40.800 0.023 0.000 1.001 40 D HN 0.542 nan 8.370 nan 0.000 0.499 41 E N 0.232 120.410 120.200 -0.036 0.000 2.568 41 E HA 0.028 4.378 4.350 -0.000 0.000 0.262 41 E C 0.036 176.659 176.600 0.038 0.000 0.961 41 E CA 0.227 56.602 56.400 -0.042 0.000 0.945 41 E CB 0.914 30.458 29.700 -0.260 0.000 0.924 41 E HN -0.103 nan 8.360 nan 0.000 0.467 42 V N 3.530 123.488 119.914 0.074 0.000 2.607 42 V HA 0.368 4.488 4.120 -0.000 0.000 0.289 42 V C -0.090 176.087 176.094 0.138 0.000 1.053 42 V CA -0.612 61.748 62.300 0.100 0.000 0.996 42 V CB 0.728 32.608 31.823 0.094 0.000 0.995 42 V HN 0.844 nan 8.190 nan 0.000 0.476 43 N N 2.404 121.192 118.700 0.146 0.000 2.591 43 N HA 0.664 5.404 4.740 -0.000 0.000 0.263 43 N C -1.330 174.286 175.510 0.178 0.000 1.308 43 N CA -0.791 52.355 53.050 0.162 0.000 0.837 43 N CB 1.866 40.442 38.487 0.148 0.000 1.548 43 N HN 0.536 nan 8.380 nan 0.000 0.493 44 F N -0.017 119.956 119.950 0.039 0.000 2.532 44 F HA 0.910 5.437 4.527 -0.000 0.000 0.321 44 F C 0.317 176.128 175.800 0.018 0.000 1.089 44 F CA 0.398 58.414 58.000 0.027 0.000 0.926 44 F CB 1.607 40.620 39.000 0.022 0.000 1.168 44 F HN 0.988 nan 8.300 nan 0.000 0.459 45 G N 2.161 110.229 108.800 -1.220 0.000 2.362 45 G HA2 0.355 4.315 3.960 -0.000 0.000 0.288 45 G HA3 0.355 4.315 3.960 -0.000 0.000 0.288 45 G C -0.822 173.760 174.900 -0.530 0.000 1.305 45 G CA -0.455 44.168 45.100 -0.795 0.000 0.910 45 G HN 1.105 nan 8.290 nan 0.000 0.518 46 G N -0.632 107.992 108.800 -0.293 0.000 2.298 46 G HA2 0.549 4.509 3.960 -0.000 0.000 0.263 46 G HA3 0.549 4.509 3.960 -0.000 0.000 0.263 46 G C 1.415 176.230 174.900 -0.142 0.000 1.229 46 G CA 1.724 46.714 45.100 -0.183 0.000 0.976 46 G HN 2.433 nan 8.290 nan 0.000 0.459 47 G N 1.570 110.297 108.800 -0.123 0.000 2.160 47 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.251 47 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.251 47 G C 0.691 175.546 174.900 -0.075 0.000 1.008 47 G CA 0.720 45.772 45.100 -0.080 0.000 0.724 47 G HN 0.714 nan 8.290 nan 0.000 0.514 48 K N -0.982 119.349 120.400 -0.114 0.000 2.632 48 K HA 0.642 4.962 4.320 -0.000 0.000 0.267 48 K C 1.712 178.292 176.600 -0.033 0.000 1.028 48 K CA -0.172 56.071 56.287 -0.073 0.000 1.045 48 K CB 0.152 32.590 32.500 -0.103 0.000 1.400 48 K HN 0.044 nan 8.250 nan 0.000 0.522 49 V N 0.626 120.547 119.914 0.012 0.000 2.649 49 V HA -0.015 4.105 4.120 -0.000 0.000 0.248 49 V C 1.264 177.391 176.094 0.054 0.000 1.054 49 V CA 0.879 63.203 62.300 0.039 0.000 1.073 49 V CB -0.170 31.692 31.823 0.064 0.000 0.699 49 V HN 0.341 nan 8.190 nan 0.000 0.463 50 L N 2.528 123.800 121.223 0.082 0.000 2.399 50 L HA 0.313 4.653 4.340 -0.000 0.000 0.257 50 L C 0.203 177.145 176.870 0.121 0.000 1.236 50 L CA 0.405 55.323 54.840 0.130 0.000 1.144 50 L CB -0.508 41.684 42.059 0.221 0.000 1.379 50 L HN 0.249 nan 8.230 nan 0.000 0.414 51 R N 1.028 121.569 120.500 0.069 0.000 2.673 51 R HA 0.232 4.571 4.340 -0.000 0.000 0.281 51 R C -0.360 175.965 176.300 0.042 0.000 0.991 51 R CA -0.967 55.161 56.100 0.047 0.000 0.896 51 R CB 2.448 32.753 30.300 0.009 0.000 1.201 51 R HN 0.204 nan 8.270 nan 0.000 0.457 52 E N 1.211 121.434 120.200 0.038 0.000 2.558 52 E HA -0.094 4.256 4.350 -0.000 0.000 0.255 52 E C 0.593 177.203 176.600 0.016 0.000 0.968 52 E CA 1.756 58.172 56.400 0.027 0.000 0.939 52 E CB 0.515 30.228 29.700 0.021 0.000 0.921 52 E HN 0.832 nan 8.360 nan 0.000 0.477 53 G N 3.631 112.439 108.800 0.013 0.000 2.176 53 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 53 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 53 G C 0.598 175.507 174.900 0.015 0.000 0.979 53 G CA 0.744 45.848 45.100 0.007 0.000 0.641 53 G HN 0.521 nan 8.290 nan 0.000 0.530 54 M N -1.181 118.433 119.600 0.023 0.000 2.319 54 M HA 0.513 4.993 4.480 -0.000 0.000 0.213 54 M C 2.324 178.647 176.300 0.040 0.000 1.322 54 M CA 0.547 55.864 55.300 0.028 0.000 1.877 54 M CB -0.378 32.237 32.600 0.025 0.000 1.118 54 M HN 0.112 nan 8.290 nan 0.000 0.907 55 G N 0.311 109.140 108.800 0.048 0.000 2.598 55 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.215 55 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.215 55 G C 0.283 175.224 174.900 0.068 0.000 1.131 55 G CA 0.235 45.371 45.100 0.060 0.000 0.785 55 G HN 0.559 nan 8.290 nan 0.000 0.539 56 E N 0.934 121.174 120.200 0.067 0.000 2.134 56 E HA 0.160 4.510 4.350 -0.000 0.000 0.278 56 E C -0.556 176.077 176.600 0.055 0.000 0.959 56 E CA -0.875 55.566 56.400 0.070 0.000 0.783 56 E CB 0.480 30.227 29.700 0.078 0.000 1.095 56 E HN 0.106 nan 8.360 nan 0.000 0.399 57 N N 3.194 121.933 118.700 0.065 0.000 2.497 57 N HA 0.068 4.807 4.740 -0.000 0.000 0.271 57 N C 0.153 175.674 175.510 0.018 0.000 1.142 57 N CA 0.272 53.352 53.050 0.050 0.000 0.965 57 N CB 1.409 39.967 38.487 0.119 0.000 1.077 57 N HN 0.691 nan 8.380 nan 0.000 0.462 58 G N 1.894 110.676 108.800 -0.031 0.000 3.233 58 G HA2 0.024 3.983 3.960 -0.000 0.000 0.234 58 G HA3 0.024 3.983 3.960 -0.000 0.000 0.234 58 G C 0.793 175.640 174.900 -0.087 0.000 1.137 58 G CA 0.047 45.124 45.100 -0.037 0.000 0.763 58 G HN 0.610 nan 8.290 nan 0.000 0.549 59 T N -0.340 114.103 114.554 -0.184 0.000 3.045 59 T HA 0.178 4.528 4.350 -0.000 0.000 0.239 59 T C 0.241 174.779 174.700 -0.269 0.000 1.008 59 T CA 0.221 62.131 62.100 -0.317 0.000 1.143 59 T CB 0.065 68.557 68.868 -0.628 0.000 0.894 59 T HN 0.107 nan 8.240 nan 0.000 0.451 60 Y N 3.366 123.674 120.300 0.013 0.000 2.319 60 Y HA 0.370 4.920 4.550 -0.000 0.000 0.328 60 Y C 1.418 177.324 175.900 0.012 0.000 1.133 60 Y CA -1.433 56.674 58.100 0.012 0.000 1.265 60 Y CB 0.017 38.485 38.460 0.013 0.000 1.218 60 Y HN 0.105 nan 8.280 nan 0.000 0.508 61 T N -0.555 114.115 114.554 0.192 0.000 2.766 61 T HA 0.129 4.478 4.350 -0.000 0.000 0.295 61 T C 1.418 176.176 174.700 0.097 0.000 1.024 61 T CA -0.665 61.500 62.100 0.108 0.000 1.018 61 T CB 0.827 69.743 68.868 0.081 0.000 1.002 61 T HN 0.814 nan 8.240 nan 0.000 0.532 62 R N 0.222 120.759 120.500 0.061 0.000 2.105 62 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 62 R C 2.415 178.735 176.300 0.033 0.000 1.135 62 R CA 2.134 58.261 56.100 0.045 0.000 0.967 62 R CB -1.178 29.142 30.300 0.033 0.000 0.861 62 R HN 0.944 nan 8.270 nan 0.000 0.442 63 T N -1.523 113.049 114.554 0.030 0.000 2.915 63 T HA -0.091 4.258 4.350 -0.000 0.000 0.269 63 T C 0.505 175.201 174.700 -0.007 0.000 1.071 63 T CA 0.954 63.062 62.100 0.014 0.000 1.132 63 T CB -0.153 68.723 68.868 0.014 0.000 0.878 63 T HN 0.405 nan 8.240 nan 0.000 0.479 64 E N 2.466 122.662 120.200 -0.007 0.000 1.979 64 E HA 0.260 4.610 4.350 -0.000 0.000 0.285 64 E C -0.156 176.342 176.600 -0.170 0.000 1.188 64 E CA -0.500 55.844 56.400 -0.093 0.000 1.214 64 E CB -0.274 29.373 29.700 -0.088 0.000 1.210 64 E HN 0.256 nan 8.360 nan 0.000 0.477 65 N N -0.127 118.507 118.700 -0.110 0.000 2.800 65 N HA -0.153 4.587 4.740 -0.000 0.000 0.250 65 N C -0.645 174.836 175.510 -0.049 0.000 1.078 65 N CA 0.571 53.561 53.050 -0.100 0.000 0.804 65 N CB -1.044 37.334 38.487 -0.180 0.000 1.135 65 N HN 0.176 nan 8.380 nan 0.000 0.565 66 V N 1.499 121.406 119.914 -0.011 0.000 2.539 66 V HA 0.404 4.523 4.120 -0.000 0.000 0.292 66 V C 1.016 177.123 176.094 0.021 0.000 1.045 66 V CA -0.600 61.716 62.300 0.027 0.000 0.945 66 V CB 1.904 33.765 31.823 0.063 0.000 0.993 66 V HN 0.064 nan 8.190 nan 0.000 0.464 67 L N 2.819 124.056 121.223 0.023 0.000 2.399 67 L HA 0.387 4.727 4.340 -0.000 0.000 0.266 67 L C 1.038 177.915 176.870 0.013 0.000 1.114 67 L CA -0.488 54.362 54.840 0.017 0.000 0.804 67 L CB 0.762 42.829 42.059 0.014 0.000 1.146 67 L HN 0.615 nan 8.230 nan 0.000 0.451 68 D N 0.994 121.399 120.400 0.008 0.000 2.194 68 D HA 0.065 4.705 4.640 -0.000 0.000 0.204 68 D C -0.044 176.245 176.300 -0.019 0.000 0.964 68 D CA 1.230 55.229 54.000 -0.002 0.000 0.846 68 D CB 0.470 41.270 40.800 0.000 0.000 0.962 68 D HN 0.107 nan 8.370 nan 0.000 0.490 69 L N 0.333 121.545 121.223 -0.019 0.000 2.526 69 L HA 0.407 4.747 4.340 -0.000 0.000 0.263 69 L C -2.101 174.756 176.870 -0.021 0.000 0.943 69 L CA -0.877 53.943 54.840 -0.033 0.000 0.859 69 L CB 2.102 44.135 42.059 -0.043 0.000 1.313 69 L HN -0.240 nan 8.230 nan 0.000 0.406 70 L N 5.136 126.346 121.223 -0.023 0.000 2.325 70 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 70 L C -1.485 175.381 176.870 -0.007 0.000 1.004 70 L CA -0.256 54.581 54.840 -0.005 0.000 0.823 70 L CB 1.510 43.576 42.059 0.012 0.000 1.236 70 L HN 0.621 nan 8.230 nan 0.000 0.415 71 L N 4.701 125.925 121.223 0.001 0.000 2.261 71 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 71 L C 0.475 177.364 176.870 0.031 0.000 1.059 71 L CA 0.070 54.915 54.840 0.008 0.000 0.816 71 L CB 1.116 43.177 42.059 0.005 0.000 1.191 71 L HN 0.746 nan 8.230 nan 0.000 0.431 72 T N 0.084 114.666 114.554 0.048 0.000 2.856 72 T HA 0.302 4.652 4.350 -0.000 0.000 0.292 72 T C 0.521 175.272 174.700 0.085 0.000 0.980 72 T CA -0.719 61.426 62.100 0.074 0.000 1.091 72 T CB 0.580 69.507 68.868 0.098 0.000 0.936 72 T HN 0.588 nan 8.240 nan 0.000 0.503 73 N N -0.156 118.603 118.700 0.100 0.000 2.756 73 N HA -0.143 4.597 4.740 -0.000 0.000 0.248 73 N C 0.012 175.582 175.510 0.099 0.000 1.062 73 N CA 0.777 53.901 53.050 0.123 0.000 0.696 73 N CB -1.657 36.922 38.487 0.154 0.000 0.946 73 N HN 1.129 nan 8.380 nan 0.000 0.548 74 A N 0.211 123.073 122.820 0.069 0.000 2.354 74 A HA 0.499 4.819 4.320 -0.000 0.000 0.269 74 A C 0.559 178.154 177.584 0.019 0.000 1.109 74 A CA -0.436 51.625 52.037 0.040 0.000 0.800 74 A CB 0.654 19.661 19.000 0.012 0.000 1.045 74 A HN 0.320 nan 8.150 nan 0.000 0.489 75 L N 4.113 125.344 121.223 0.013 0.000 2.288 75 L HA 0.456 4.796 4.340 -0.000 0.000 0.283 75 L C -0.493 176.322 176.870 -0.091 0.000 1.072 75 L CA -0.153 54.669 54.840 -0.030 0.000 0.862 75 L CB -0.386 41.671 42.059 -0.004 0.000 1.245 75 L HN 0.540 nan 8.230 nan 0.000 0.432 76 I N 5.393 125.819 120.570 -0.239 0.000 2.441 76 I HA 0.175 4.345 4.170 -0.000 0.000 0.287 76 I C -0.172 175.822 176.117 -0.206 0.000 1.049 76 I CA 0.085 61.217 61.300 -0.280 0.000 1.381 76 I CB 0.981 38.620 38.000 -0.602 0.000 1.409 76 I HN 0.482 nan 8.210 nan 0.000 0.523 77 L N 6.891 128.076 121.223 -0.064 0.000 2.342 77 L HA 0.553 4.893 4.340 -0.000 0.000 0.276 77 L C -1.476 175.440 176.870 0.076 0.000 0.997 77 L CA -0.081 54.750 54.840 -0.014 0.000 0.838 77 L CB 1.277 43.301 42.059 -0.058 0.000 1.224 77 L HN 0.670 nan 8.230 nan 0.000 0.416 78 D N 1.082 121.531 120.400 0.082 0.000 2.615 78 D HA 0.155 4.795 4.640 -0.000 0.000 0.267 78 D C 0.319 176.715 176.300 0.160 0.000 1.236 78 D CA -0.396 53.682 54.000 0.130 0.000 0.839 78 D CB 1.092 41.949 40.800 0.094 0.000 1.380 78 D HN 0.415 nan 8.370 nan 0.000 0.433 79 Y N -0.217 120.191 120.300 0.179 0.000 2.274 79 Y HA -0.069 4.481 4.550 -0.000 0.000 0.290 79 Y C 1.833 178.004 175.900 0.451 0.000 1.145 79 Y CA 1.917 60.217 58.100 0.333 0.000 1.203 79 Y CB -1.337 37.348 38.460 0.375 0.000 0.984 79 Y HN 0.310 nan 8.280 nan 0.000 0.533 80 T N -2.485 111.773 114.554 -0.495 0.000 3.072 80 T HA 0.456 4.805 4.350 -0.000 0.000 0.266 80 T C 0.925 175.674 174.700 0.082 0.000 1.127 80 T CA 0.449 62.349 62.100 -0.333 0.000 1.107 80 T CB -0.610 68.032 68.868 -0.377 0.000 0.910 80 T HN 0.913 nan 8.240 nan 0.000 0.513 81 G N 0.145 109.064 108.800 0.199 0.000 2.352 81 G HA2 0.379 4.339 3.960 -0.000 0.000 0.302 81 G HA3 0.379 4.339 3.960 -0.000 0.000 0.302 81 G C -1.867 173.222 174.900 0.316 0.000 1.370 81 G CA -1.093 44.185 45.100 0.296 0.000 0.918 81 G HN 0.318 nan 8.290 nan 0.000 0.610 82 I N 2.128 122.866 120.570 0.280 0.000 2.464 82 I HA 0.499 4.669 4.170 -0.000 0.000 0.277 82 I C -0.431 175.809 176.117 0.205 0.000 1.040 82 I CA -0.680 60.695 61.300 0.125 0.000 1.153 82 I CB 0.789 38.818 38.000 0.048 0.000 1.274 82 I HN 0.673 nan 8.210 nan 0.000 0.469 83 Y N 3.536 123.882 120.300 0.078 0.000 2.670 83 Y HA 0.706 5.255 4.550 -0.000 0.000 0.334 83 Y C -1.187 174.792 175.900 0.131 0.000 1.185 83 Y CA -1.719 56.448 58.100 0.111 0.000 1.053 83 Y CB 0.963 39.515 38.460 0.154 0.000 1.298 83 Y HN 0.154 nan 8.280 nan 0.000 0.459 84 K N 1.628 122.203 120.400 0.291 0.000 2.213 84 K HA 0.869 5.188 4.320 -0.000 0.000 0.270 84 K C -1.234 175.574 176.600 0.347 0.000 1.002 84 K CA -0.030 56.387 56.287 0.216 0.000 0.868 84 K CB 1.021 33.652 32.500 0.219 0.000 1.093 84 K HN 1.087 nan 8.250 nan 0.000 0.454 85 A N 3.280 126.221 122.820 0.201 0.000 2.601 85 A HA 0.442 4.761 4.320 -0.000 0.000 0.291 85 A C -1.613 176.025 177.584 0.091 0.000 1.075 85 A CA -0.970 51.188 52.037 0.202 0.000 0.671 85 A CB 0.800 19.910 19.000 0.183 0.000 1.277 85 A HN 0.666 nan 8.150 nan 0.000 0.417 86 D N 0.492 120.934 120.400 0.070 0.000 2.341 86 D HA 0.512 5.152 4.640 -0.000 0.000 0.245 86 D C -0.454 175.852 176.300 0.010 0.000 1.106 86 D CA 0.636 54.662 54.000 0.043 0.000 0.905 86 D CB 1.039 41.867 40.800 0.047 0.000 1.202 86 D HN 0.404 nan 8.370 nan 0.000 0.426 87 I N 0.849 121.425 120.570 0.010 0.000 2.418 87 I HA 0.378 4.548 4.170 -0.000 0.000 0.287 87 I C 0.594 176.712 176.117 0.002 0.000 1.008 87 I CA -0.681 60.620 61.300 0.001 0.000 1.104 87 I CB 2.078 40.079 38.000 0.001 0.000 1.264 87 I HN 0.205 nan 8.210 nan 0.000 0.438 88 G N 5.643 114.445 108.800 0.003 0.000 2.416 88 G HA2 0.642 4.601 3.960 -0.000 0.000 0.324 88 G HA3 0.642 4.601 3.960 -0.000 0.000 0.324 88 G C -1.011 173.897 174.900 0.012 0.000 1.194 88 G CA -0.361 44.743 45.100 0.006 0.000 0.922 88 G HN 0.324 nan 8.290 nan 0.000 0.467 89 V N 1.978 121.896 119.914 0.007 0.000 2.680 89 V HA 0.725 4.845 4.120 -0.000 0.000 0.309 89 V C -0.070 176.037 176.094 0.022 0.000 1.052 89 V CA -0.806 61.499 62.300 0.009 0.000 0.908 89 V CB 1.984 33.790 31.823 -0.029 0.000 1.001 89 V HN 0.794 nan 8.190 nan 0.000 0.431 90 K N 2.380 122.812 120.400 0.053 0.000 2.561 90 K HA 0.317 4.637 4.320 -0.000 0.000 0.254 90 K C -0.983 175.683 176.600 0.111 0.000 0.942 90 K CA -0.490 55.833 56.287 0.061 0.000 0.818 90 K CB 1.525 34.055 32.500 0.050 0.000 1.306 90 K HN 0.742 nan 8.250 nan 0.000 0.435 91 D N 2.479 122.940 120.400 0.102 0.000 2.945 91 D HA -0.191 4.449 4.640 -0.000 0.000 0.225 91 D C 0.603 177.056 176.300 0.256 0.000 1.158 91 D CA 1.896 55.990 54.000 0.157 0.000 0.805 91 D CB -1.003 39.885 40.800 0.147 0.000 1.098 91 D HN 1.102 nan 8.370 nan 0.000 0.426 92 G N -1.310 107.563 108.800 0.121 0.000 2.176 92 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.253 92 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.253 92 G C 0.017 174.789 174.900 -0.214 0.000 0.979 92 G CA 0.586 45.661 45.100 -0.043 0.000 0.641 92 G HN 0.441 nan 8.290 nan 0.000 0.530 93 Y N -0.329 119.972 120.300 0.001 0.000 2.509 93 Y HA 0.682 5.232 4.550 -0.000 0.000 0.341 93 Y C 1.000 176.907 175.900 0.011 0.000 1.038 93 Y CA -1.219 56.909 58.100 0.046 0.000 1.089 93 Y CB 1.152 39.685 38.460 0.122 0.000 1.241 93 Y HN 0.084 nan 8.280 nan 0.000 0.468 94 I N 3.149 123.815 120.570 0.159 0.000 2.421 94 I HA 0.016 4.186 4.170 -0.000 0.000 0.291 94 I C 0.884 177.078 176.117 0.128 0.000 1.089 94 I CA 0.117 61.478 61.300 0.103 0.000 1.354 94 I CB 0.360 38.411 38.000 0.086 0.000 1.413 94 I HN 0.604 nan 8.210 nan 0.000 0.513 95 V N 2.780 122.745 119.914 0.086 0.000 3.621 95 V HA 0.536 4.655 4.120 -0.000 0.000 0.263 95 V C 0.722 176.838 176.094 0.035 0.000 1.272 95 V CA 0.352 62.692 62.300 0.067 0.000 1.080 95 V CB 0.172 32.029 31.823 0.056 0.000 0.816 95 V HN 0.728 nan 8.190 nan 0.000 0.451 96 G N 0.275 109.089 108.800 0.022 0.000 2.766 96 G HA2 0.695 4.655 3.960 -0.000 0.000 0.297 96 G HA3 0.695 4.655 3.960 -0.000 0.000 0.297 96 G C -1.567 173.319 174.900 -0.024 0.000 1.431 96 G CA -0.628 44.469 45.100 -0.005 0.000 1.042 96 G HN 0.181 nan 8.290 nan 0.000 0.542 97 I N 2.238 122.767 120.570 -0.068 0.000 2.410 97 I HA 0.747 4.917 4.170 -0.000 0.000 0.286 97 I C 0.755 176.689 176.117 -0.305 0.000 1.009 97 I CA -0.064 61.163 61.300 -0.123 0.000 1.111 97 I CB 1.780 39.733 38.000 -0.078 0.000 1.262 97 I HN 0.906 nan 8.210 nan 0.000 0.443 98 G N 5.556 114.193 108.800 -0.271 0.000 2.492 98 G HA2 0.106 4.066 3.960 -0.000 0.000 0.065 98 G HA3 0.106 4.066 3.960 -0.000 0.000 0.065 98 G C -1.442 173.452 174.900 -0.010 0.000 0.956 98 G CA -0.403 44.533 45.100 -0.274 0.000 1.223 98 G HN 0.354 nan 8.290 nan 0.000 0.511 99 K N 1.200 121.623 120.400 0.039 0.000 2.545 99 K HA 0.606 4.926 4.320 -0.000 0.000 0.252 99 K C -0.303 176.324 176.600 0.044 0.000 0.948 99 K CA -0.028 56.298 56.287 0.064 0.000 0.827 99 K CB 1.153 33.704 32.500 0.084 0.000 1.128 99 K HN 0.850 nan 8.250 nan 0.000 0.429 100 G N 1.053 109.880 108.800 0.045 0.000 2.434 100 G HA2 0.756 4.716 3.960 -0.000 0.000 0.330 100 G HA3 0.756 4.716 3.960 -0.000 0.000 0.330 100 G C -0.062 174.869 174.900 0.053 0.000 1.155 100 G CA 0.071 45.197 45.100 0.043 0.000 0.917 100 G HN 0.804 nan 8.290 nan 0.000 0.493 101 G N 0.166 108.999 108.800 0.055 0.000 2.366 101 G HA2 0.233 4.193 3.960 -0.000 0.000 0.190 101 G HA3 0.233 4.193 3.960 -0.000 0.000 0.190 101 G C -1.484 173.456 174.900 0.067 0.000 1.299 101 G CA -0.324 44.813 45.100 0.062 0.000 1.056 101 G HN 1.021 nan 8.290 nan 0.000 0.468 102 N N 1.202 119.942 118.700 0.067 0.000 2.448 102 N HA 0.606 5.346 4.740 -0.000 0.000 0.279 102 N C -1.765 173.788 175.510 0.072 0.000 1.025 102 N CA -2.119 50.977 53.050 0.078 0.000 0.898 102 N CB 2.677 41.206 38.487 0.069 0.000 1.303 102 N HN 0.033 nan 8.380 nan 0.000 0.495 103 P HA -0.061 nan 4.420 nan 0.000 0.221 103 P C 0.382 177.726 177.300 0.073 0.000 1.145 103 P CA 0.854 64.000 63.100 0.076 0.000 0.795 103 P CB 0.462 32.214 31.700 0.087 0.000 0.775 104 D N 0.104 120.550 120.400 0.077 0.000 2.126 104 D HA -0.178 4.462 4.640 -0.000 0.000 0.190 104 D C 1.782 178.106 176.300 0.040 0.000 1.001 104 D CA 1.615 55.646 54.000 0.052 0.000 0.841 104 D CB -0.366 40.454 40.800 0.034 0.000 0.949 104 D HN 0.380 nan 8.370 nan 0.000 0.446 105 I N -4.681 115.912 120.570 0.039 0.000 4.439 105 I HA 0.251 4.421 4.170 -0.000 0.000 0.331 105 I C 0.229 176.365 176.117 0.033 0.000 1.345 105 I CA -0.269 61.050 61.300 0.032 0.000 1.193 105 I CB 0.327 38.344 38.000 0.029 0.000 1.221 105 I HN -0.245 nan 8.210 nan 0.000 0.429 106 M N 1.824 121.446 119.600 0.037 0.000 2.404 106 M HA 0.419 4.899 4.480 -0.000 0.000 0.338 106 M C -0.939 175.379 176.300 0.030 0.000 1.150 106 M CA -0.516 54.805 55.300 0.034 0.000 1.016 106 M CB 1.507 34.130 32.600 0.038 0.000 1.672 106 M HN -0.051 nan 8.290 nan 0.000 0.448 107 D N 0.943 121.357 120.400 0.024 0.000 2.304 107 D HA 0.366 5.006 4.640 -0.000 0.000 0.247 107 D C 0.964 177.274 176.300 0.017 0.000 1.089 107 D CA 0.786 54.797 54.000 0.018 0.000 0.910 107 D CB 1.207 42.014 40.800 0.012 0.000 1.199 107 D HN 0.900 nan 8.370 nan 0.000 0.426 108 G N 0.691 109.502 108.800 0.017 0.000 2.160 108 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.251 108 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.251 108 G C 0.246 175.166 174.900 0.034 0.000 1.008 108 G CA 0.147 45.260 45.100 0.020 0.000 0.724 108 G HN 0.451 nan 8.290 nan 0.000 0.514 109 V N 1.616 121.550 119.914 0.034 0.000 2.521 109 V HA 0.309 4.428 4.120 -0.000 0.000 0.286 109 V C 1.331 177.445 176.094 0.033 0.000 1.034 109 V CA 0.486 62.808 62.300 0.038 0.000 1.045 109 V CB 0.944 32.791 31.823 0.040 0.000 0.974 109 V HN 0.383 nan 8.190 nan 0.000 0.480 110 T N 9.224 123.797 114.554 0.033 0.000 2.902 110 T HA 0.075 4.425 4.350 -0.000 0.000 0.301 110 T C -1.422 173.284 174.700 0.009 0.000 1.012 110 T CA -0.425 61.688 62.100 0.022 0.000 1.151 110 T CB 0.954 69.828 68.868 0.011 0.000 0.946 110 T HN 0.561 nan 8.240 nan 0.000 0.542 111 P HA -0.090 nan 4.420 nan 0.000 0.218 111 P C 1.144 178.425 177.300 -0.032 0.000 1.148 111 P CA 0.790 63.880 63.100 -0.016 0.000 0.822 111 P CB 0.093 31.781 31.700 -0.019 0.000 0.784 112 N N -1.456 117.230 118.700 -0.023 0.000 2.251 112 N HA 0.053 4.793 4.740 -0.000 0.000 0.217 112 N C 0.346 175.849 175.510 -0.011 0.000 1.124 112 N CA 0.120 53.154 53.050 -0.026 0.000 0.843 112 N CB -0.595 37.880 38.487 -0.019 0.000 1.024 112 N HN 0.181 nan 8.380 nan 0.000 0.501 113 M N 0.985 120.584 119.600 -0.002 0.000 3.076 113 M HA 0.371 4.851 4.480 -0.000 0.000 0.296 113 M C -0.478 175.836 176.300 0.023 0.000 1.185 113 M CA -0.284 55.022 55.300 0.010 0.000 0.932 113 M CB 0.459 33.065 32.600 0.011 0.000 1.288 113 M HN -0.060 nan 8.290 nan 0.000 0.536 114 I N 0.896 121.480 120.570 0.024 0.000 2.416 114 I HA 0.122 4.292 4.170 -0.000 0.000 0.288 114 I C 0.168 176.320 176.117 0.058 0.000 1.051 114 I CA -0.594 60.737 61.300 0.052 0.000 1.375 114 I CB 1.025 39.069 38.000 0.072 0.000 1.407 114 I HN -0.058 nan 8.210 nan 0.000 0.516 115 V N 6.874 126.827 119.914 0.065 0.000 2.427 115 V HA 0.370 4.490 4.120 -0.000 0.000 0.268 115 V C 0.840 176.980 176.094 0.076 0.000 1.046 115 V CA 0.053 62.391 62.300 0.063 0.000 0.970 115 V CB 0.350 32.214 31.823 0.068 0.000 1.001 115 V HN 0.992 nan 8.190 nan 0.000 0.476 116 G N 3.030 111.871 108.800 0.069 0.000 3.209 116 G HA2 0.378 4.338 3.960 -0.000 0.000 0.236 116 G HA3 0.378 4.338 3.960 -0.000 0.000 0.236 116 G C 0.802 175.734 174.900 0.054 0.000 1.329 116 G CA 0.238 45.384 45.100 0.076 0.000 1.015 116 G HN 0.443 nan 8.290 nan 0.000 0.571 117 T N 1.000 115.583 114.554 0.048 0.000 2.759 117 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 117 T C 2.432 177.147 174.700 0.024 0.000 1.042 117 T CA 1.894 64.014 62.100 0.034 0.000 1.140 117 T CB -0.302 68.582 68.868 0.028 0.000 0.864 117 T HN 0.620 nan 8.240 nan 0.000 0.455 118 A N 1.047 123.883 122.820 0.027 0.000 2.235 118 A HA 0.156 4.476 4.320 -0.000 0.000 0.208 118 A C 1.136 178.722 177.584 0.003 0.000 1.172 118 A CA 0.304 52.350 52.037 0.015 0.000 0.786 118 A CB -0.337 18.676 19.000 0.022 0.000 0.804 118 A HN 0.383 nan 8.150 nan 0.000 0.479 119 T N 1.092 115.648 114.554 0.004 0.000 2.743 119 T HA 0.395 4.745 4.350 -0.000 0.000 0.293 119 T C -0.218 174.454 174.700 -0.047 0.000 0.945 119 T CA -0.280 61.813 62.100 -0.011 0.000 1.030 119 T CB 1.317 70.189 68.868 0.008 0.000 0.912 119 T HN 0.441 nan 8.240 nan 0.000 0.483 120 E N 2.623 122.782 120.200 -0.069 0.000 2.313 120 E HA 0.455 4.805 4.350 -0.000 0.000 0.272 120 E C -1.121 175.391 176.600 -0.147 0.000 1.038 120 E CA -0.576 55.750 56.400 -0.123 0.000 0.863 120 E CB 0.802 30.438 29.700 -0.106 0.000 1.060 120 E HN 0.318 nan 8.360 nan 0.000 0.402 121 V N 5.248 125.011 119.914 -0.252 0.000 2.540 121 V HA 0.444 4.564 4.120 -0.000 0.000 0.302 121 V C -0.155 175.824 176.094 -0.192 0.000 1.035 121 V CA -0.679 61.489 62.300 -0.220 0.000 0.873 121 V CB 1.502 33.146 31.823 -0.298 0.000 0.992 121 V HN 0.656 nan 8.190 nan 0.000 0.428 122 I N 3.537 124.053 120.570 -0.091 0.000 2.389 122 I HA 0.593 4.763 4.170 -0.000 0.000 0.288 122 I C 0.479 176.594 176.117 -0.004 0.000 0.999 122 I CA -0.632 60.636 61.300 -0.054 0.000 1.129 122 I CB 1.852 39.826 38.000 -0.044 0.000 1.288 122 I HN 0.703 nan 8.210 nan 0.000 0.444 123 A N 4.974 127.808 122.820 0.023 0.000 2.350 123 A HA 0.570 4.890 4.320 -0.000 0.000 0.293 123 A C 0.840 178.454 177.584 0.049 0.000 1.231 123 A CA -0.086 51.986 52.037 0.059 0.000 0.883 123 A CB 0.337 19.387 19.000 0.083 0.000 1.133 123 A HN 0.908 nan 8.150 nan 0.000 0.533 124 A N 2.837 125.690 122.820 0.055 0.000 2.348 124 A HA 0.239 4.559 4.320 -0.000 0.000 0.224 124 A C 0.757 178.382 177.584 0.068 0.000 1.227 124 A CA -0.149 51.922 52.037 0.056 0.000 0.885 124 A CB -0.126 18.904 19.000 0.050 0.000 0.933 124 A HN 0.824 nan 8.150 nan 0.000 0.506 125 E N 0.226 120.470 120.200 0.074 0.000 2.498 125 E HA 0.262 4.612 4.350 -0.000 0.000 0.252 125 E C 0.865 177.498 176.600 0.054 0.000 1.025 125 E CA 0.659 57.104 56.400 0.075 0.000 0.938 125 E CB -0.084 29.655 29.700 0.066 0.000 0.947 125 E HN 0.914 nan 8.360 nan 0.000 0.478 126 G N 3.066 111.902 108.800 0.062 0.000 2.195 126 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.246 126 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.246 126 G C 0.076 175.017 174.900 0.068 0.000 0.984 126 G CA 0.169 45.301 45.100 0.053 0.000 0.633 126 G HN 0.480 nan 8.290 nan 0.000 0.525 127 K N 0.179 120.628 120.400 0.081 0.000 2.095 127 K HA 0.700 5.020 4.320 -0.000 0.000 0.252 127 K C 0.227 176.894 176.600 0.112 0.000 0.977 127 K CA -0.722 55.633 56.287 0.113 0.000 0.900 127 K CB 1.647 34.214 32.500 0.113 0.000 1.060 127 K HN 0.261 nan 8.250 nan 0.000 0.449 128 I N 1.551 122.226 120.570 0.176 0.000 2.359 128 I HA 0.167 4.337 4.170 -0.000 0.000 0.294 128 I C -0.407 175.896 176.117 0.309 0.000 0.987 128 I CA -0.936 60.463 61.300 0.166 0.000 1.225 128 I CB 1.582 39.627 38.000 0.075 0.000 1.366 128 I HN 0.019 nan 8.210 nan 0.000 0.466 129 V N 4.983 125.019 119.914 0.204 0.000 2.417 129 V HA 0.529 4.649 4.120 -0.000 0.000 0.291 129 V C 0.193 176.437 176.094 0.250 0.000 1.024 129 V CA -0.452 61.980 62.300 0.221 0.000 0.861 129 V CB 1.729 33.609 31.823 0.095 0.000 0.985 129 V HN 0.878 nan 8.190 nan 0.000 0.436 130 T N 1.737 116.516 114.554 0.374 0.000 2.930 130 T HA 0.852 5.202 4.350 -0.000 0.000 0.290 130 T C 0.097 174.965 174.700 0.280 0.000 1.052 130 T CA -0.308 62.008 62.100 0.360 0.000 1.017 130 T CB 1.883 71.086 68.868 0.559 0.000 1.137 130 T HN 1.048 nan 8.240 nan 0.000 0.511 131 A N 0.662 123.627 122.820 0.243 0.000 2.492 131 A HA 0.566 4.886 4.320 -0.000 0.000 0.236 131 A C 1.080 178.822 177.584 0.265 0.000 1.078 131 A CA 0.008 52.172 52.037 0.212 0.000 0.773 131 A CB -0.879 18.238 19.000 0.196 0.000 1.023 131 A HN 1.415 nan 8.150 nan 0.000 0.504 132 G N 0.049 108.973 108.800 0.207 0.000 2.432 132 G HA2 0.468 4.428 3.960 -0.000 0.000 0.239 132 G HA3 0.468 4.428 3.960 -0.000 0.000 0.239 132 G C 0.565 175.629 174.900 0.272 0.000 1.291 132 G CA 0.191 45.420 45.100 0.214 0.000 0.863 132 G HN 1.237 nan 8.290 nan 0.000 0.560 133 G N 0.256 109.246 108.800 0.317 0.000 2.442 133 G HA2 0.420 4.380 3.960 -0.000 0.000 0.249 133 G HA3 0.420 4.380 3.960 -0.000 0.000 0.249 133 G C -0.041 175.006 174.900 0.246 0.000 1.263 133 G CA -0.503 44.820 45.100 0.372 0.000 0.846 133 G HN 0.493 nan 8.290 nan 0.000 0.555 134 I N 2.572 123.280 120.570 0.230 0.000 2.359 134 I HA 0.197 4.366 4.170 -0.000 0.000 0.284 134 I C -0.689 175.523 176.117 0.158 0.000 1.018 134 I CA -1.038 60.361 61.300 0.166 0.000 1.173 134 I CB 1.236 39.293 38.000 0.094 0.000 1.326 134 I HN 0.342 nan 8.210 nan 0.000 0.462 135 D N 4.847 125.341 120.400 0.157 0.000 2.373 135 D HA 0.241 4.880 4.640 -0.000 0.000 0.227 135 D C 0.969 177.372 176.300 0.170 0.000 1.091 135 D CA -0.145 53.935 54.000 0.132 0.000 0.840 135 D CB 1.258 42.111 40.800 0.087 0.000 1.060 135 D HN 0.597 nan 8.370 nan 0.000 0.502 136 T N 0.246 114.905 114.554 0.176 0.000 3.134 136 T HA 0.121 4.471 4.350 -0.000 0.000 0.260 136 T C 0.572 175.373 174.700 0.167 0.000 1.027 136 T CA -0.143 62.106 62.100 0.247 0.000 0.913 136 T CB -0.431 68.614 68.868 0.294 0.000 1.046 136 T HN 0.484 nan 8.240 nan 0.000 0.553 137 H N 0.578 119.572 119.070 -0.126 0.000 2.336 137 H HA 0.602 5.158 4.556 -0.000 0.000 0.230 137 H C -1.346 173.860 175.328 -0.204 0.000 1.426 137 H CA -0.513 55.289 56.048 -0.410 0.000 1.359 137 H CB 0.214 29.500 29.762 -0.792 0.000 1.555 137 H HN 0.099 nan 8.280 nan 0.000 0.512 138 V N 3.231 123.129 119.914 -0.027 0.000 2.398 138 V HA 0.156 4.276 4.120 -0.000 0.000 0.286 138 V C 0.060 175.950 176.094 -0.340 0.000 1.026 138 V CA -0.723 61.465 62.300 -0.188 0.000 0.868 138 V CB 1.290 32.860 31.823 -0.422 0.000 0.982 138 V HN 0.689 nan 8.190 nan 0.000 0.443 139 H N 4.756 123.704 119.070 -0.202 0.000 2.652 139 H HA 0.294 4.849 4.556 -0.000 0.000 0.298 139 H C -0.893 174.294 175.328 -0.236 0.000 1.076 139 H CA -0.297 55.665 56.048 -0.142 0.000 1.360 139 H CB 0.894 30.644 29.762 -0.019 0.000 1.421 139 H HN 0.480 nan 8.280 nan 0.000 0.464 140 F N 4.125 124.144 119.950 0.115 0.000 2.464 140 F HA 0.105 4.632 4.527 -0.000 0.000 0.353 140 F C 1.150 176.994 175.800 0.074 0.000 1.191 140 F CA -0.010 58.033 58.000 0.071 0.000 1.147 140 F CB 0.013 39.031 39.000 0.030 0.000 1.294 140 F HN 0.490 nan 8.300 nan 0.000 0.583 141 I N 0.859 121.539 120.570 0.184 0.000 4.197 141 I HA 0.093 4.263 4.170 -0.000 0.000 0.307 141 I C 0.119 176.287 176.117 0.085 0.000 1.236 141 I CA 0.153 61.522 61.300 0.114 0.000 1.321 141 I CB 0.511 38.549 38.000 0.063 0.000 1.309 141 I HN 0.366 nan 8.210 nan 0.000 0.450 142 N N 0.661 119.410 118.700 0.082 0.000 2.478 142 N HA 0.245 4.984 4.740 -0.000 0.000 0.291 142 N C -2.438 173.114 175.510 0.070 0.000 1.090 142 N CA -1.849 51.236 53.050 0.057 0.000 0.911 142 N CB 2.210 40.713 38.487 0.027 0.000 1.546 142 N HN -0.278 nan 8.380 nan 0.000 0.500 143 P HA -0.019 nan 4.420 nan 0.000 0.221 143 P C 0.123 177.452 177.300 0.049 0.000 1.145 143 P CA 0.941 64.080 63.100 0.065 0.000 0.795 143 P CB 0.370 32.094 31.700 0.042 0.000 0.775 144 D N -0.330 120.090 120.400 0.033 0.000 2.378 144 D HA -0.142 4.498 4.640 -0.000 0.000 0.222 144 D C 1.961 178.270 176.300 0.016 0.000 0.980 144 D CA 0.657 54.671 54.000 0.022 0.000 0.907 144 D CB -0.448 40.361 40.800 0.014 0.000 0.899 144 D HN 0.483 nan 8.370 nan 0.000 0.527 145 Q N 0.200 120.014 119.800 0.022 0.000 2.369 145 Q HA -0.048 4.292 4.340 -0.000 0.000 0.206 145 Q C 1.720 177.720 176.000 0.001 0.000 0.963 145 Q CA 0.741 56.548 55.803 0.007 0.000 0.894 145 Q CB -0.110 28.636 28.738 0.012 0.000 0.965 145 Q HN 0.099 nan 8.270 nan 0.000 0.475 146 V N 1.917 121.842 119.914 0.019 0.000 2.379 146 V HA -0.202 3.917 4.120 -0.000 0.000 0.245 146 V C 1.479 177.527 176.094 -0.077 0.000 1.044 146 V CA 2.045 64.347 62.300 0.004 0.000 1.036 146 V CB -0.449 31.397 31.823 0.039 0.000 0.664 146 V HN 0.323 nan 8.190 nan 0.000 0.453 147 D N -0.009 120.348 120.400 -0.073 0.000 2.178 147 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 147 D C 2.146 178.307 176.300 -0.231 0.000 0.974 147 D CA 0.945 54.840 54.000 -0.174 0.000 0.841 147 D CB -0.234 40.586 40.800 0.033 0.000 0.953 147 D HN 0.270 nan 8.370 nan 0.000 0.478 148 V N 1.227 121.081 119.914 -0.099 0.000 2.287 148 V HA -0.262 3.857 4.120 -0.000 0.000 0.248 148 V C 2.490 178.521 176.094 -0.106 0.000 1.053 148 V CA 1.935 64.192 62.300 -0.072 0.000 1.027 148 V CB -0.795 31.006 31.823 -0.036 0.000 0.646 148 V HN 0.205 nan 8.190 nan 0.000 0.447 149 A N -0.419 122.338 122.820 -0.105 0.000 1.902 149 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 149 A C 2.203 179.695 177.584 -0.154 0.000 1.181 149 A CA 1.693 53.675 52.037 -0.091 0.000 0.623 149 A CB -0.543 18.428 19.000 -0.047 0.000 0.818 149 A HN 0.505 nan 8.150 nan 0.000 0.443 150 L N -0.755 120.292 121.223 -0.293 0.000 2.083 150 L HA -0.200 4.139 4.340 -0.000 0.000 0.209 150 L C 3.013 179.584 176.870 -0.499 0.000 1.083 150 L CA 1.012 55.586 54.840 -0.444 0.000 0.752 150 L CB -0.489 41.115 42.059 -0.758 0.000 0.899 150 L HN 0.440 nan 8.230 nan 0.000 0.433 151 A N -0.695 121.815 122.820 -0.516 0.000 2.015 151 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 151 A C 1.909 179.457 177.584 -0.060 0.000 1.163 151 A CA 1.504 53.420 52.037 -0.201 0.000 0.646 151 A CB -0.518 18.464 19.000 -0.030 0.000 0.806 151 A HN 0.512 nan 8.150 nan 0.000 0.448 152 N N -0.840 117.839 118.700 -0.034 0.000 2.273 152 N HA 0.212 4.952 4.740 -0.000 0.000 0.231 152 N C 0.681 176.283 175.510 0.153 0.000 1.134 152 N CA 0.625 53.735 53.050 0.101 0.000 0.856 152 N CB 0.071 38.604 38.487 0.077 0.000 1.068 152 N HN 0.473 nan 8.380 nan 0.000 0.510 153 G N 1.481 110.273 108.800 -0.014 0.000 2.171 153 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.238 153 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.238 153 G C -0.173 174.785 174.900 0.097 0.000 1.039 153 G CA -0.194 44.904 45.100 -0.003 0.000 0.759 153 G HN 0.334 nan 8.290 nan 0.000 0.501 154 I N 1.048 121.641 120.570 0.038 0.000 2.336 154 I HA 0.439 4.609 4.170 -0.000 0.000 0.292 154 I C 1.447 177.604 176.117 0.066 0.000 0.991 154 I CA 0.140 61.485 61.300 0.075 0.000 1.227 154 I CB 1.721 39.748 38.000 0.045 0.000 1.366 154 I HN 0.238 nan 8.210 nan 0.000 0.466 155 T N -0.809 113.817 114.554 0.119 0.000 3.043 155 T HA 0.198 4.548 4.350 -0.000 0.000 0.272 155 T C 0.440 175.249 174.700 0.182 0.000 0.990 155 T CA -0.080 62.096 62.100 0.127 0.000 0.897 155 T CB 0.250 69.197 68.868 0.133 0.000 1.111 155 T HN 0.475 nan 8.240 nan 0.000 0.529 156 T N 2.446 117.121 114.554 0.202 0.000 2.928 156 T HA 0.610 4.960 4.350 -0.000 0.000 0.296 156 T C -1.163 173.691 174.700 0.257 0.000 1.000 156 T CA -0.619 61.642 62.100 0.268 0.000 0.989 156 T CB 1.614 70.664 68.868 0.304 0.000 1.005 156 T HN 0.209 nan 8.240 nan 0.000 0.442 157 L N 3.604 124.997 121.223 0.285 0.000 2.316 157 L HA 0.592 4.931 4.340 -0.000 0.000 0.280 157 L C -1.099 175.968 176.870 0.328 0.000 1.006 157 L CA -0.737 54.256 54.840 0.254 0.000 0.836 157 L CB 0.900 43.100 42.059 0.236 0.000 1.221 157 L HN 0.533 nan 8.230 nan 0.000 0.418 158 F N 1.966 122.000 119.950 0.141 0.000 2.444 158 F HA 0.804 5.331 4.527 -0.000 0.000 0.342 158 F C 0.710 176.568 175.800 0.098 0.000 1.121 158 F CA 0.106 58.201 58.000 0.160 0.000 0.997 158 F CB 1.940 41.006 39.000 0.110 0.000 1.130 158 F HN 0.533 nan 8.300 nan 0.000 0.454 159 G N 1.769 110.689 108.800 0.200 0.000 2.452 159 G HA2 0.494 4.453 3.960 -0.000 0.000 0.224 159 G HA3 0.494 4.453 3.960 -0.000 0.000 0.224 159 G C -1.130 173.887 174.900 0.194 0.000 1.208 159 G CA -0.021 45.131 45.100 0.087 0.000 0.946 159 G HN 0.993 nan 8.290 nan 0.000 0.481 160 G N -2.084 106.791 108.800 0.125 0.000 2.660 160 G HA2 0.937 4.896 3.960 -0.000 0.000 0.290 160 G HA3 0.937 4.896 3.960 -0.000 0.000 0.290 160 G C -0.232 174.859 174.900 0.317 0.000 1.432 160 G CA 0.607 45.870 45.100 0.272 0.000 0.807 160 G HN 2.428 nan 8.290 nan 0.000 0.485 161 G N -1.912 107.064 108.800 0.293 0.000 2.317 161 G HA2 0.492 4.452 3.960 -0.000 0.000 0.445 161 G HA3 0.492 4.452 3.960 -0.000 0.000 0.445 161 G C 0.133 175.146 174.900 0.189 0.000 1.486 161 G CA 0.767 46.018 45.100 0.251 0.000 0.991 161 G HN 1.817 nan 8.290 nan 0.000 0.660 162 T N -1.951 112.689 114.554 0.145 0.000 3.132 162 T HA 0.642 4.992 4.350 -0.000 0.000 0.274 162 T C 1.420 176.171 174.700 0.085 0.000 1.011 162 T CA 1.175 63.327 62.100 0.087 0.000 0.899 162 T CB 0.339 69.263 68.868 0.093 0.000 1.089 162 T HN 2.745 nan 8.240 nan 0.000 0.543 163 G N 2.552 111.420 108.800 0.114 0.000 2.384 163 G HA2 0.032 3.992 3.960 -0.000 0.000 0.204 163 G HA3 0.032 3.992 3.960 -0.000 0.000 0.204 163 G C -2.796 172.152 174.900 0.080 0.000 1.237 163 G CA -0.431 44.723 45.100 0.091 0.000 1.060 163 G HN 0.118 nan 8.290 nan 0.000 0.514 164 P HA 0.486 nan 4.420 nan 0.000 0.226 164 P C 0.255 177.566 177.300 0.018 0.000 1.758 164 P CA 0.880 63.998 63.100 0.030 0.000 0.896 164 P CB 0.063 31.773 31.700 0.016 0.000 1.784 165 A N 0.642 123.482 122.820 0.034 0.000 2.316 165 A HA 0.258 4.577 4.320 -0.000 0.000 0.284 165 A C 1.363 178.941 177.584 -0.011 0.000 1.115 165 A CA -0.256 51.794 52.037 0.021 0.000 0.812 165 A CB 0.563 19.600 19.000 0.061 0.000 1.064 165 A HN -0.033 nan 8.150 nan 0.000 0.489 166 E N 1.860 122.014 120.200 -0.078 0.000 2.160 166 E HA -0.109 4.240 4.350 -0.000 0.000 0.195 166 E C 2.057 178.574 176.600 -0.139 0.000 0.991 166 E CA 1.949 58.249 56.400 -0.166 0.000 0.810 166 E CB -0.284 29.209 29.700 -0.346 0.000 0.742 166 E HN 0.842 nan 8.360 nan 0.000 0.466 167 G N -0.267 108.505 108.800 -0.047 0.000 2.421 167 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.216 167 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.216 167 G C 1.734 176.700 174.900 0.109 0.000 1.171 167 G CA 1.027 46.144 45.100 0.029 0.000 0.775 167 G HN 0.273 nan 8.290 nan 0.000 0.543 168 S N 0.237 116.023 115.700 0.145 0.000 2.428 168 S HA 0.006 4.476 4.470 -0.000 0.000 0.230 168 S C 2.132 176.847 174.600 0.192 0.000 1.014 168 S CA 0.902 59.216 58.200 0.191 0.000 0.957 168 S CB -0.054 63.249 63.200 0.172 0.000 0.784 168 S HN 0.397 nan 8.310 nan 0.000 0.499 169 K N 1.076 121.505 120.400 0.048 0.000 2.288 169 K HA 0.129 4.449 4.320 -0.000 0.000 0.201 169 K C 2.031 178.546 176.600 -0.141 0.000 1.048 169 K CA 0.916 57.175 56.287 -0.048 0.000 0.956 169 K CB -0.084 32.368 32.500 -0.079 0.000 0.746 169 K HN 0.331 nan 8.250 nan 0.000 0.461 170 A N 0.998 123.752 122.820 -0.111 0.000 1.973 170 A HA 0.007 4.327 4.320 -0.000 0.000 0.210 170 A C 1.121 178.687 177.584 -0.030 0.000 1.200 170 A CA 0.862 52.787 52.037 -0.188 0.000 0.707 170 A CB 0.236 19.093 19.000 -0.238 0.000 0.862 170 A HN 0.304 nan 8.150 nan 0.000 0.461 171 T N -1.981 112.630 114.554 0.095 0.000 2.893 171 T HA 0.449 4.799 4.350 -0.000 0.000 0.293 171 T C -0.212 174.588 174.700 0.167 0.000 1.027 171 T CA 0.218 62.384 62.100 0.109 0.000 0.988 171 T CB 1.245 70.068 68.868 -0.075 0.000 1.043 171 T HN 0.371 nan 8.240 nan 0.000 0.461 172 T N 0.824 115.363 114.554 -0.025 0.000 4.219 172 T HA 0.496 4.846 4.350 -0.000 0.000 0.263 172 T C -0.120 174.616 174.700 0.060 0.000 1.217 172 T CA -0.501 61.474 62.100 -0.208 0.000 1.145 172 T CB -1.185 67.545 68.868 -0.231 0.000 1.298 172 T HN 0.591 nan 8.240 nan 0.000 0.999 173 V N 2.188 122.183 119.914 0.135 0.000 2.686 173 V HA 0.475 4.594 4.120 -0.000 0.000 0.306 173 V C -0.062 176.104 176.094 0.121 0.000 1.065 173 V CA -0.823 61.561 62.300 0.139 0.000 0.894 173 V CB 2.492 34.437 31.823 0.203 0.000 1.004 173 V HN 0.715 nan 8.190 nan 0.000 0.424 174 T N 6.688 121.283 114.554 0.068 0.000 2.963 174 T HA 0.393 4.743 4.350 -0.000 0.000 0.343 174 T C -2.783 171.915 174.700 -0.003 0.000 1.146 174 T CA -1.213 60.914 62.100 0.044 0.000 1.016 174 T CB 1.298 70.178 68.868 0.020 0.000 1.046 174 T HN 0.404 nan 8.240 nan 0.000 0.496 175 P HA 0.463 nan 4.420 nan 0.000 0.287 175 P C 0.519 177.802 177.300 -0.029 0.000 1.281 175 P CA 0.438 63.482 63.100 -0.092 0.000 0.781 175 P CB 0.719 32.303 31.700 -0.193 0.000 0.903 176 G N 5.243 114.021 108.800 -0.037 0.000 2.787 176 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.685 176 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.685 176 G C -2.246 172.678 174.900 0.039 0.000 1.437 176 G CA -0.716 44.386 45.100 0.003 0.000 0.872 176 G HN 0.240 nan 8.290 nan 0.000 0.566 177 P HA -0.108 nan 4.420 nan 0.000 0.215 177 P C 1.647 179.005 177.300 0.098 0.000 1.157 177 P CA 2.222 65.355 63.100 0.056 0.000 0.874 177 P CB 0.005 31.740 31.700 0.058 0.000 0.790 178 W N 0.369 121.648 121.300 -0.035 0.000 2.407 178 W HA -0.091 4.569 4.660 -0.000 0.000 0.305 178 W C 2.069 178.567 176.519 -0.034 0.000 1.196 178 W CA 1.272 58.598 57.345 -0.032 0.000 1.311 178 W CB -0.764 28.679 29.460 -0.027 0.000 1.135 178 W HN -0.180 nan 8.180 nan 0.000 0.514 179 N N 0.719 119.556 118.700 0.227 0.000 2.120 179 N HA -0.219 4.521 4.740 -0.000 0.000 0.188 179 N C 1.744 177.175 175.510 -0.132 0.000 1.024 179 N CA 2.233 55.301 53.050 0.030 0.000 0.852 179 N CB -0.801 37.764 38.487 0.130 0.000 1.003 179 N HN 0.273 nan 8.380 nan 0.000 0.424 180 I N 1.827 122.353 120.570 -0.075 0.000 2.127 180 I HA -0.274 3.896 4.170 -0.000 0.000 0.241 180 I C 2.189 178.206 176.117 -0.167 0.000 1.075 180 I CA 1.350 62.587 61.300 -0.104 0.000 1.334 180 I CB -0.274 37.689 38.000 -0.060 0.000 1.040 180 I HN 0.153 nan 8.210 nan 0.000 0.405 181 E N 0.540 120.626 120.200 -0.190 0.000 2.085 181 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 181 E C 2.179 178.586 176.600 -0.322 0.000 0.994 181 E CA 1.094 57.355 56.400 -0.232 0.000 0.801 181 E CB -0.003 29.559 29.700 -0.229 0.000 0.743 181 E HN 0.290 nan 8.360 nan 0.000 0.453 182 K N 0.230 120.337 120.400 -0.489 0.000 2.032 182 K HA -0.095 4.224 4.320 -0.000 0.000 0.209 182 K C 1.965 178.373 176.600 -0.320 0.000 1.048 182 K CA 1.172 57.154 56.287 -0.509 0.000 0.927 182 K CB -0.285 31.750 32.500 -0.775 0.000 0.712 182 K HN 0.194 nan 8.250 nan 0.000 0.441 183 M N 0.496 119.930 119.600 -0.277 0.000 2.319 183 M HA -0.013 4.467 4.480 -0.000 0.000 0.265 183 M C 2.232 178.382 176.300 -0.250 0.000 1.068 183 M CA 1.005 56.155 55.300 -0.250 0.000 1.118 183 M CB -0.836 31.620 32.600 -0.241 0.000 1.395 183 M HN 0.033 nan 8.290 nan 0.000 0.435 184 L N -0.187 120.904 121.223 -0.219 0.000 2.093 184 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 184 L C 2.454 179.220 176.870 -0.174 0.000 1.085 184 L CA 1.198 55.925 54.840 -0.189 0.000 0.755 184 L CB -0.489 41.475 42.059 -0.158 0.000 0.904 184 L HN 0.275 nan 8.230 nan 0.000 0.435 185 K N -0.889 119.404 120.400 -0.178 0.000 2.097 185 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 185 K C 2.415 178.936 176.600 -0.132 0.000 1.050 185 K CA 1.354 57.550 56.287 -0.151 0.000 0.938 185 K CB -0.165 32.240 32.500 -0.159 0.000 0.718 185 K HN 0.099 nan 8.250 nan 0.000 0.442 186 S N 0.393 116.000 115.700 -0.154 0.000 2.368 186 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 186 S C 1.834 176.359 174.600 -0.125 0.000 1.030 186 S CA 1.708 59.828 58.200 -0.134 0.000 0.999 186 S CB -0.310 62.793 63.200 -0.161 0.000 0.844 186 S HN 0.264 nan 8.310 nan 0.000 0.459 187 T N 2.387 116.841 114.554 -0.167 0.000 2.849 187 T HA -0.078 4.271 4.350 -0.000 0.000 0.270 187 T C 1.573 176.227 174.700 -0.077 0.000 1.066 187 T CA 1.216 63.223 62.100 -0.155 0.000 1.130 187 T CB -0.360 68.388 68.868 -0.200 0.000 0.864 187 T HN 0.449 nan 8.240 nan 0.000 0.481 188 E N 0.698 120.862 120.200 -0.060 0.000 2.219 188 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 188 E C 2.168 178.809 176.600 0.068 0.000 0.998 188 E CA 1.104 57.510 56.400 0.010 0.000 0.818 188 E CB -0.412 29.276 29.700 -0.021 0.000 0.741 188 E HN 0.590 nan 8.360 nan 0.000 0.477 189 G N 0.188 108.997 108.800 0.016 0.000 3.337 189 G HA2 0.249 4.209 3.960 -0.000 0.000 0.246 189 G HA3 0.249 4.209 3.960 -0.000 0.000 0.246 189 G C 0.395 175.299 174.900 0.007 0.000 1.131 189 G CA -0.323 44.786 45.100 0.016 0.000 0.773 189 G HN 0.004 nan 8.290 nan 0.000 0.544 190 L N 1.874 123.099 121.223 0.003 0.000 2.272 190 L HA 0.345 4.685 4.340 -0.000 0.000 0.289 190 L C -2.001 174.888 176.870 0.032 0.000 1.032 190 L CA -2.017 52.832 54.840 0.014 0.000 0.810 190 L CB 2.351 44.410 42.059 -0.001 0.000 1.205 190 L HN -0.116 nan 8.230 nan 0.000 0.422 191 P HA 0.308 nan 4.420 nan 0.000 0.214 191 P C -0.562 176.772 177.300 0.058 0.000 1.826 191 P CA 0.175 63.303 63.100 0.046 0.000 0.977 191 P CB 0.548 32.274 31.700 0.042 0.000 1.930 192 I N 0.240 120.854 120.570 0.073 0.000 2.947 192 I HA 0.300 4.470 4.170 -0.000 0.000 0.301 192 I C -1.159 175.031 176.117 0.122 0.000 1.453 192 I CA -0.952 60.408 61.300 0.101 0.000 0.984 192 I CB 2.276 40.335 38.000 0.098 0.000 1.333 192 I HN -0.207 nan 8.210 nan 0.000 0.475 193 N N 3.506 122.308 118.700 0.171 0.000 2.508 193 N HA 0.433 5.173 4.740 -0.000 0.000 0.264 193 N C -1.055 174.593 175.510 0.229 0.000 1.216 193 N CA -0.096 53.071 53.050 0.195 0.000 0.943 193 N CB 1.561 40.251 38.487 0.338 0.000 1.113 193 N HN 0.260 nan 8.380 nan 0.000 0.447 194 V N -0.457 119.559 119.914 0.170 0.000 2.925 194 V HA 0.802 4.922 4.120 -0.000 0.000 0.311 194 V C 0.261 176.330 176.094 -0.041 0.000 1.104 194 V CA -0.914 61.444 62.300 0.096 0.000 0.954 194 V CB 2.284 34.082 31.823 -0.041 0.000 1.022 194 V HN 0.780 nan 8.190 nan 0.000 0.427 195 G N 3.066 111.554 108.800 -0.520 0.000 2.687 195 G HA2 0.747 4.707 3.960 -0.000 0.000 0.301 195 G HA3 0.747 4.707 3.960 -0.000 0.000 0.301 195 G C -1.402 173.020 174.900 -0.797 0.000 1.416 195 G CA -0.464 43.923 45.100 -1.187 0.000 1.005 195 G HN 0.565 nan 8.290 nan 0.000 0.509 196 I N 2.008 122.364 120.570 -0.356 0.000 2.377 196 I HA 0.354 4.523 4.170 -0.000 0.000 0.293 196 I C -0.202 175.901 176.117 -0.022 0.000 0.987 196 I CA -0.703 60.526 61.300 -0.119 0.000 1.185 196 I CB 1.889 39.818 38.000 -0.118 0.000 1.341 196 I HN 0.124 nan 8.210 nan 0.000 0.455 197 L N 5.633 126.890 121.223 0.056 0.000 2.289 197 L HA 0.537 4.876 4.340 -0.000 0.000 0.285 197 L C 0.822 177.715 176.870 0.039 0.000 1.049 197 L CA -0.512 54.372 54.840 0.072 0.000 0.804 197 L CB 1.135 43.253 42.059 0.098 0.000 1.195 197 L HN 0.644 nan 8.230 nan 0.000 0.428 198 G N 1.729 110.539 108.800 0.016 0.000 2.616 198 G HA2 0.164 4.124 3.960 -0.000 0.000 0.268 198 G HA3 0.164 4.124 3.960 -0.000 0.000 0.268 198 G C -0.531 174.352 174.900 -0.029 0.000 1.213 198 G CA -0.587 44.505 45.100 -0.014 0.000 0.926 198 G HN 0.596 nan 8.290 nan 0.000 0.523 199 K N 0.114 120.462 120.400 -0.087 0.000 2.378 199 K HA 0.226 4.546 4.320 -0.000 0.000 0.288 199 K C 0.908 177.476 176.600 -0.052 0.000 1.057 199 K CA -0.021 56.188 56.287 -0.130 0.000 0.971 199 K CB 0.287 32.564 32.500 -0.372 0.000 0.975 199 K HN 0.418 nan 8.250 nan 0.000 0.475 200 G N 5.445 114.239 108.800 -0.010 0.000 3.581 200 G HA2 0.052 4.012 3.960 -0.000 0.000 0.255 200 G HA3 0.052 4.012 3.960 -0.000 0.000 0.255 200 G C -0.536 174.149 174.900 -0.358 0.000 1.121 200 G CA -0.117 44.902 45.100 -0.135 0.000 1.739 200 G HN 0.674 nan 8.290 nan 0.000 0.646 201 H N -0.489 118.540 119.070 -0.068 0.000 2.894 201 H HA 0.629 5.185 4.556 -0.000 0.000 0.367 201 H C 0.176 175.473 175.328 -0.051 0.000 1.144 201 H CA 0.053 56.077 56.048 -0.039 0.000 1.180 201 H CB 2.517 32.258 29.762 -0.035 0.000 1.758 201 H HN 0.546 nan 8.280 nan 0.000 0.541 202 G N -0.012 108.833 108.800 0.076 0.000 2.350 202 G HA2 0.071 4.031 3.960 -0.000 0.000 0.305 202 G HA3 0.071 4.031 3.960 -0.000 0.000 0.305 202 G C -0.127 174.784 174.900 0.018 0.000 1.479 202 G CA -0.023 45.097 45.100 0.033 0.000 0.949 202 G HN 0.529 nan 8.290 nan 0.000 0.651 203 S N -1.388 114.321 115.700 0.014 0.000 2.603 203 S HA 0.594 5.063 4.470 -0.000 0.000 0.232 203 S C 0.665 175.265 174.600 -0.000 0.000 1.016 203 S CA 0.591 58.796 58.200 0.008 0.000 0.976 203 S CB 0.644 63.852 63.200 0.013 0.000 0.921 203 S HN 0.898 nan 8.310 nan 0.000 0.516 204 S N 1.104 116.802 115.700 -0.003 0.000 2.568 204 S HA 0.545 5.015 4.470 -0.000 0.000 0.293 204 S C 0.780 175.373 174.600 -0.011 0.000 1.089 204 S CA -0.804 57.392 58.200 -0.006 0.000 0.945 204 S CB 1.276 64.472 63.200 -0.006 0.000 1.077 204 S HN 0.063 nan 8.310 nan 0.000 0.485 205 I N 1.669 122.232 120.570 -0.012 0.000 2.202 205 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 205 I C 2.603 178.711 176.117 -0.014 0.000 1.091 205 I CA 1.488 62.779 61.300 -0.014 0.000 1.368 205 I CB -1.700 36.292 38.000 -0.013 0.000 1.058 205 I HN 0.781 nan 8.210 nan 0.000 0.410 206 A N 1.738 124.551 122.820 -0.012 0.000 1.908 206 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 206 A C 0.095 177.671 177.584 -0.013 0.000 1.181 206 A CA 1.765 53.796 52.037 -0.011 0.000 0.627 206 A CB -2.078 16.917 19.000 -0.009 0.000 0.818 206 A HN 0.309 nan 8.150 nan 0.000 0.445 207 P HA -0.114 nan 4.420 nan 0.000 0.217 207 P C 1.352 178.636 177.300 -0.026 0.000 1.150 207 P CA 0.985 64.073 63.100 -0.020 0.000 0.832 207 P CB -0.143 31.544 31.700 -0.022 0.000 0.787 208 I N -1.854 118.700 120.570 -0.026 0.000 2.235 208 I HA -0.166 4.004 4.170 -0.000 0.000 0.241 208 I C 2.428 178.530 176.117 -0.024 0.000 1.085 208 I CA 1.175 62.456 61.300 -0.031 0.000 1.378 208 I CB -0.625 37.354 38.000 -0.036 0.000 1.076 208 I HN -0.109 nan 8.210 nan 0.000 0.415 209 M N 1.655 121.244 119.600 -0.019 0.000 2.149 209 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 209 M C 2.173 178.467 176.300 -0.010 0.000 1.064 209 M CA 1.894 57.186 55.300 -0.013 0.000 1.102 209 M CB -0.600 31.993 32.600 -0.011 0.000 1.369 209 M HN 0.337 nan 8.290 nan 0.000 0.408 210 E N -1.123 119.071 120.200 -0.010 0.000 2.265 210 E HA -0.253 4.097 4.350 -0.000 0.000 0.196 210 E C 1.769 178.366 176.600 -0.006 0.000 0.996 210 E CA 1.270 57.667 56.400 -0.006 0.000 0.832 210 E CB -0.636 29.062 29.700 -0.004 0.000 0.756 210 E HN 0.707 nan 8.360 nan 0.000 0.491 211 Q N 0.241 120.035 119.800 -0.011 0.000 2.079 211 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 211 Q C 2.205 178.201 176.000 -0.007 0.000 0.974 211 Q CA 1.127 56.922 55.803 -0.012 0.000 0.840 211 Q CB 0.011 28.736 28.738 -0.022 0.000 0.898 211 Q HN 0.368 nan 8.270 nan 0.000 0.430 212 I N 1.460 122.027 120.570 -0.004 0.000 2.202 212 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 212 I C 1.584 177.704 176.117 0.004 0.000 1.091 212 I CA 1.367 62.670 61.300 0.005 0.000 1.368 212 I CB -1.163 36.841 38.000 0.007 0.000 1.058 212 I HN 0.176 nan 8.210 nan 0.000 0.410 213 D N 1.179 121.579 120.400 0.000 0.000 2.178 213 D HA -0.086 4.553 4.640 -0.000 0.000 0.201 213 D C 2.157 178.455 176.300 -0.005 0.000 0.980 213 D CA 1.349 55.348 54.000 -0.001 0.000 0.842 213 D CB -0.040 40.759 40.800 -0.002 0.000 0.948 213 D HN 0.316 nan 8.370 nan 0.000 0.472 214 A N -0.418 122.398 122.820 -0.007 0.000 2.168 214 A HA 0.333 4.653 4.320 -0.000 0.000 0.215 214 A C 1.827 179.395 177.584 -0.026 0.000 1.152 214 A CA 1.525 53.553 52.037 -0.015 0.000 0.716 214 A CB 0.019 19.012 19.000 -0.012 0.000 0.794 214 A HN 0.314 nan 8.150 nan 0.000 0.465 215 G N -2.810 105.978 108.800 -0.019 0.000 2.273 215 G HA2 0.257 4.217 3.960 -0.000 0.000 0.162 215 G HA3 0.257 4.217 3.960 -0.000 0.000 0.162 215 G C 0.392 175.281 174.900 -0.017 0.000 1.006 215 G CA 0.018 45.103 45.100 -0.024 0.000 0.704 215 G HN 1.337 nan 8.290 nan 0.000 0.487 216 A N 0.398 123.212 122.820 -0.010 0.000 2.466 216 A HA 0.688 5.008 4.320 -0.000 0.000 0.238 216 A C 1.463 179.073 177.584 0.043 0.000 1.074 216 A CA 1.330 53.368 52.037 0.002 0.000 0.774 216 A CB 0.658 19.662 19.000 0.006 0.000 1.015 216 A HN 1.728 nan 8.150 nan 0.000 0.498 217 A N 1.031 123.896 122.820 0.076 0.000 2.390 217 A HA 0.585 4.905 4.320 -0.000 0.000 0.232 217 A C 0.927 178.656 177.584 0.243 0.000 1.233 217 A CA 0.961 53.111 52.037 0.188 0.000 0.907 217 A CB -0.439 18.713 19.000 0.254 0.000 0.967 217 A HN 2.309 nan 8.150 nan 0.000 0.512 218 G N -1.483 107.410 108.800 0.154 0.000 2.325 218 G HA2 0.463 4.423 3.960 -0.000 0.000 0.295 218 G HA3 0.463 4.423 3.960 -0.000 0.000 0.295 218 G C -1.466 173.470 174.900 0.060 0.000 1.274 218 G CA -0.602 44.572 45.100 0.123 0.000 0.857 218 G HN 0.276 nan 8.290 nan 0.000 0.499 222 H N 5.976 125.365 119.070 0.532 0.000 2.600 222 H HA 0.287 4.842 4.556 -0.000 0.000 0.357 222 H C 0.423 175.887 175.328 0.227 0.000 1.106 222 H CA -0.392 55.844 56.048 0.312 0.000 1.193 222 H CB 2.594 32.519 29.762 0.271 0.000 1.594 222 H HN 0.862 nan 8.280 nan 0.000 0.526 223 E N 2.339 122.551 120.200 0.019 0.000 2.204 223 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 223 E C -0.012 176.636 176.600 0.080 0.000 0.990 223 E CA 1.434 57.882 56.400 0.079 0.000 0.821 223 E CB 0.197 29.914 29.700 0.027 0.000 0.750 223 E HN 0.454 nan 8.360 nan 0.000 0.477 224 D N 0.265 120.781 120.400 0.193 0.000 2.264 224 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 224 D C 0.622 176.714 176.300 -0.346 0.000 0.966 224 D CA 0.847 54.760 54.000 -0.145 0.000 0.864 224 D CB -0.270 40.342 40.800 -0.313 0.000 0.933 224 D HN 0.489 nan 8.370 nan 0.000 0.499 225 W N 0.598 121.779 121.300 -0.198 0.000 3.278 225 W HA 0.397 5.057 4.660 -0.000 0.000 0.308 225 W C 0.634 176.875 176.519 -0.464 0.000 1.253 225 W CA 0.003 57.065 57.345 -0.471 0.000 1.759 225 W CB 0.720 29.609 29.460 -0.953 0.000 1.093 225 W HN -0.067 nan 8.180 nan 0.000 0.648 226 G N 1.130 109.943 108.800 0.023 0.000 2.721 226 G HA2 0.099 4.059 3.960 -0.000 0.000 0.462 226 G HA3 0.099 4.059 3.960 -0.000 0.000 0.462 226 G C -0.288 174.852 174.900 0.401 0.000 1.062 226 G CA -0.651 44.544 45.100 0.159 0.000 1.233 226 G HN 0.392 nan 8.290 nan 0.000 0.545 227 A N 2.320 125.308 122.820 0.280 0.000 3.168 227 A HA 0.686 5.006 4.320 -0.000 0.000 0.260 227 A C 1.286 178.931 177.584 0.101 0.000 1.598 227 A CA 0.867 53.038 52.037 0.223 0.000 1.285 227 A CB -0.512 18.573 19.000 0.142 0.000 1.149 227 A HN 2.072 nan 8.150 nan 0.000 0.630 228 T N -2.486 112.131 114.554 0.105 0.000 2.816 228 T HA 0.409 4.758 4.350 -0.000 0.000 0.282 228 T C -1.657 173.064 174.700 0.034 0.000 0.993 228 T CA -1.489 60.646 62.100 0.058 0.000 0.994 228 T CB 0.750 69.656 68.868 0.062 0.000 1.025 228 T HN 0.097 nan 8.240 nan 0.000 0.529 229 P HA -0.050 nan 4.420 nan 0.000 0.216 229 P C 1.582 178.883 177.300 0.001 0.000 1.150 229 P CA 1.554 64.661 63.100 0.012 0.000 0.843 229 P CB -0.308 31.397 31.700 0.008 0.000 0.787 230 A N -0.867 121.957 122.820 0.006 0.000 1.873 230 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 230 A C 2.409 179.985 177.584 -0.015 0.000 1.186 230 A CA 2.051 54.088 52.037 0.001 0.000 0.616 230 A CB -1.484 17.523 19.000 0.011 0.000 0.823 230 A HN 0.098 nan 8.150 nan 0.000 0.442 231 S N -0.186 115.506 115.700 -0.013 0.000 2.368 231 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 231 S C 1.806 176.325 174.600 -0.136 0.000 1.030 231 S CA 1.432 59.582 58.200 -0.084 0.000 0.999 231 S CB -0.527 62.608 63.200 -0.110 0.000 0.844 231 S HN 0.512 nan 8.310 nan 0.000 0.459 232 I N 1.477 121.989 120.570 -0.096 0.000 2.127 232 I HA -0.251 3.919 4.170 -0.000 0.000 0.241 232 I C 2.422 178.500 176.117 -0.065 0.000 1.075 232 I CA 1.724 62.974 61.300 -0.082 0.000 1.334 232 I CB -0.439 37.537 38.000 -0.040 0.000 1.040 232 I HN 0.254 nan 8.210 nan 0.000 0.405 233 D N 0.602 120.975 120.400 -0.044 0.000 2.092 233 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 233 D C 2.308 178.585 176.300 -0.038 0.000 0.994 233 D CA 1.464 55.444 54.000 -0.034 0.000 0.828 233 D CB 0.076 40.862 40.800 -0.022 0.000 0.963 233 D HN -0.009 nan 8.370 nan 0.000 0.450 234 R N 0.307 120.783 120.500 -0.041 0.000 2.096 234 R HA 0.028 4.368 4.340 -0.000 0.000 0.235 234 R C 2.579 178.850 176.300 -0.049 0.000 1.127 234 R CA 0.835 56.912 56.100 -0.038 0.000 0.968 234 R CB -1.194 29.086 30.300 -0.034 0.000 0.861 234 R HN 0.195 nan 8.270 nan 0.000 0.440 235 S N 1.386 117.044 115.700 -0.071 0.000 2.368 235 S HA -0.028 4.441 4.470 -0.000 0.000 0.225 235 S C 2.089 176.654 174.600 -0.058 0.000 1.030 235 S CA 0.943 59.097 58.200 -0.077 0.000 0.999 235 S CB -0.205 62.925 63.200 -0.117 0.000 0.844 235 S HN 0.187 nan 8.310 nan 0.000 0.459 236 L N 0.992 122.182 121.223 -0.055 0.000 2.141 236 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 236 L C 2.593 179.444 176.870 -0.032 0.000 1.094 236 L CA 1.024 55.838 54.840 -0.043 0.000 0.763 236 L CB -0.976 41.058 42.059 -0.041 0.000 0.908 236 L HN 0.296 nan 8.230 nan 0.000 0.437 237 T N -0.691 113.846 114.554 -0.030 0.000 2.777 237 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 237 T C 2.029 176.716 174.700 -0.021 0.000 1.040 237 T CA 1.216 63.303 62.100 -0.023 0.000 1.141 237 T CB -0.135 68.720 68.868 -0.021 0.000 0.868 237 T HN 0.042 nan 8.240 nan 0.000 0.444 238 V N 1.735 121.635 119.914 -0.024 0.000 2.261 238 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 238 V C 2.903 178.988 176.094 -0.016 0.000 1.047 238 V CA 1.830 64.118 62.300 -0.020 0.000 1.015 238 V CB -1.224 30.584 31.823 -0.024 0.000 0.642 238 V HN 0.529 nan 8.190 nan 0.000 0.446 239 A N -0.340 122.467 122.820 -0.021 0.000 1.908 239 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 239 A C 2.007 179.583 177.584 -0.013 0.000 1.181 239 A CA 2.169 54.197 52.037 -0.016 0.000 0.627 239 A CB -0.691 18.295 19.000 -0.024 0.000 0.818 239 A HN 0.549 nan 8.150 nan 0.000 0.445 240 D N -0.928 119.463 120.400 -0.016 0.000 2.144 240 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 240 D C 1.924 178.217 176.300 -0.010 0.000 0.984 240 D CA 1.402 55.394 54.000 -0.014 0.000 0.834 240 D CB -0.207 40.583 40.800 -0.015 0.000 0.955 240 D HN 0.755 nan 8.370 nan 0.000 0.465 241 E N 0.050 120.244 120.200 -0.010 0.000 2.076 241 E HA -0.044 4.306 4.350 -0.000 0.000 0.190 241 E C 1.686 178.284 176.600 -0.004 0.000 0.979 241 E CA 0.759 57.155 56.400 -0.007 0.000 0.807 241 E CB 0.106 29.801 29.700 -0.008 0.000 0.761 241 E HN 0.131 nan 8.360 nan 0.000 0.454 242 A N 0.633 123.453 122.820 -0.001 0.000 2.178 242 A HA -0.018 4.302 4.320 -0.000 0.000 0.211 242 A C 0.501 178.092 177.584 0.011 0.000 1.157 242 A CA 0.762 52.802 52.037 0.006 0.000 0.780 242 A CB 0.144 19.149 19.000 0.009 0.000 0.828 242 A HN 0.408 nan 8.150 nan 0.000 0.476 243 D N -0.910 119.493 120.400 0.006 0.000 2.716 243 D HA -0.126 4.514 4.640 -0.000 0.000 0.239 243 D C -0.103 176.209 176.300 0.020 0.000 1.125 243 D CA 1.057 55.061 54.000 0.008 0.000 0.681 243 D CB -1.775 39.029 40.800 0.006 0.000 1.070 243 D HN 0.959 nan 8.370 nan 0.000 0.432 244 V N -2.356 117.570 119.914 0.019 0.000 3.074 244 V HA 0.840 4.960 4.120 -0.000 0.000 0.314 244 V C 0.099 176.199 176.094 0.011 0.000 1.117 244 V CA -0.993 61.328 62.300 0.034 0.000 1.014 244 V CB 2.020 33.877 31.823 0.056 0.000 1.057 244 V HN 0.066 nan 8.190 nan 0.000 0.438 245 Q N 0.862 120.669 119.800 0.011 0.000 2.230 245 Q HA 0.651 4.990 4.340 -0.000 0.000 0.248 245 Q C -0.958 175.028 176.000 -0.022 0.000 0.915 245 Q CA -0.286 55.511 55.803 -0.011 0.000 0.900 245 Q CB 1.718 30.445 28.738 -0.019 0.000 1.229 245 Q HN 0.809 nan 8.270 nan 0.000 0.439 246 V N 2.647 122.528 119.914 -0.055 0.000 2.398 246 V HA 0.801 4.921 4.120 -0.000 0.000 0.286 246 V C -0.402 175.571 176.094 -0.201 0.000 1.026 246 V CA -0.745 61.490 62.300 -0.108 0.000 0.868 246 V CB 1.197 32.962 31.823 -0.096 0.000 0.982 246 V HN 0.871 nan 8.190 nan 0.000 0.443 247 A N 5.685 128.280 122.820 -0.375 0.000 2.312 247 A HA 0.876 5.196 4.320 -0.000 0.000 0.326 247 A C -0.720 176.509 177.584 -0.591 0.000 1.172 247 A CA -0.514 51.042 52.037 -0.801 0.000 0.821 247 A CB 0.919 18.919 19.000 -1.667 0.000 1.166 247 A HN 0.885 nan 8.150 nan 0.000 0.493 248 I N 1.400 121.661 120.570 -0.514 0.000 2.545 248 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 248 I C -0.804 175.248 176.117 -0.109 0.000 1.040 248 I CA -0.629 60.538 61.300 -0.222 0.000 1.068 248 I CB 1.683 39.616 38.000 -0.111 0.000 1.251 248 I HN 0.892 nan 8.210 nan 0.000 0.424 249 H N 6.289 125.306 119.070 -0.088 0.000 2.718 249 H HA 0.470 5.025 4.556 -0.000 0.000 0.295 249 H C -0.345 174.948 175.328 -0.058 0.000 1.051 249 H CA -0.612 55.440 56.048 0.008 0.000 1.260 249 H CB 0.956 30.665 29.762 -0.089 0.000 1.403 249 H HN 0.687 nan 8.280 nan 0.000 0.488 250 S N 2.633 118.386 115.700 0.087 0.000 2.640 250 S HA -0.007 4.463 4.470 -0.000 0.000 0.262 250 S C 0.362 174.881 174.600 -0.135 0.000 1.232 250 S CA -0.910 57.260 58.200 -0.049 0.000 0.988 250 S CB 0.938 64.056 63.200 -0.137 0.000 1.034 250 S HN 0.753 nan 8.310 nan 0.000 0.569 251 D N 0.457 120.616 120.400 -0.401 0.000 2.416 251 D HA 0.201 4.841 4.640 -0.000 0.000 0.240 251 D C 1.029 177.108 176.300 -0.368 0.000 1.250 251 D CA 0.050 53.861 54.000 -0.315 0.000 0.967 251 D CB -0.143 40.529 40.800 -0.213 0.000 1.059 251 D HN 0.527 nan 8.370 nan 0.000 0.512 252 T N 3.402 117.876 114.554 -0.132 0.000 2.699 252 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 252 T C 1.703 176.413 174.700 0.016 0.000 1.036 252 T CA 0.532 62.639 62.100 0.013 0.000 1.147 252 T CB 0.046 69.099 68.868 0.308 0.000 0.862 252 T HN 0.298 nan 8.240 nan 0.000 0.446 253 L N 1.476 122.622 121.223 -0.129 0.000 2.353 253 L HA 0.083 4.422 4.340 -0.000 0.000 0.220 253 L C 0.873 177.724 176.870 -0.031 0.000 1.133 253 L CA 0.858 55.612 54.840 -0.142 0.000 0.798 253 L CB -1.342 40.544 42.059 -0.289 0.000 0.922 253 L HN 0.339 nan 8.230 nan 0.000 0.445 254 N N -0.129 118.586 118.700 0.025 0.000 2.725 254 N HA -0.285 4.455 4.740 -0.000 0.000 0.249 254 N C 1.360 176.787 175.510 -0.137 0.000 1.103 254 N CA 1.116 54.189 53.050 0.039 0.000 0.707 254 N CB -1.058 37.502 38.487 0.121 0.000 1.043 254 N HN 0.601 nan 8.380 nan 0.000 0.553 255 E N 0.065 120.202 120.200 -0.105 0.000 2.046 255 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 255 E C 1.477 178.009 176.600 -0.115 0.000 0.982 255 E CA 1.377 57.708 56.400 -0.114 0.000 0.800 255 E CB 0.060 29.698 29.700 -0.104 0.000 0.756 255 E HN 0.463 nan 8.360 nan 0.000 0.449 256 A N 0.087 122.856 122.820 -0.085 0.000 2.390 256 A HA 0.448 4.767 4.320 -0.000 0.000 0.232 256 A C 0.605 178.136 177.584 -0.089 0.000 1.233 256 A CA 0.545 52.540 52.037 -0.071 0.000 0.907 256 A CB 0.862 19.846 19.000 -0.027 0.000 0.967 256 A HN 0.322 nan 8.150 nan 0.000 0.512 257 G N -1.592 107.134 108.800 -0.122 0.000 2.466 257 G HA2 0.471 4.430 3.960 -0.000 0.000 0.291 257 G HA3 0.471 4.430 3.960 -0.000 0.000 0.291 257 G C -1.213 173.583 174.900 -0.174 0.000 1.460 257 G CA -0.694 44.320 45.100 -0.143 0.000 0.791 257 G HN -0.013 nan 8.290 nan 0.000 0.505 258 F N -0.410 119.511 119.950 -0.047 0.000 2.403 258 F HA 0.526 5.053 4.527 -0.000 0.000 0.326 258 F C 1.660 177.051 175.800 -0.681 0.000 1.099 258 F CA -0.842 57.021 58.000 -0.228 0.000 1.036 258 F CB 1.023 39.943 39.000 -0.134 0.000 1.336 258 F HN 0.406 nan 8.300 nan 0.000 0.497 259 L N 1.512 122.316 121.223 -0.697 0.000 2.034 259 L HA -0.243 4.097 4.340 -0.000 0.000 0.217 259 L C 2.421 179.132 176.870 -0.266 0.000 1.077 259 L CA 2.065 56.500 54.840 -0.676 0.000 0.769 259 L CB -0.977 40.922 42.059 -0.267 0.000 0.890 259 L HN 0.719 nan 8.230 nan 0.000 0.435 260 E N -1.391 118.737 120.200 -0.120 0.000 2.204 260 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 260 E C 1.472 178.051 176.600 -0.035 0.000 0.990 260 E CA 1.588 57.957 56.400 -0.051 0.000 0.821 260 E CB -0.745 28.953 29.700 -0.003 0.000 0.750 260 E HN 0.637 nan 8.360 nan 0.000 0.477 261 D N 0.936 121.319 120.400 -0.029 0.000 2.123 261 D HA -0.065 4.574 4.640 -0.000 0.000 0.200 261 D C 1.744 178.045 176.300 0.001 0.000 0.976 261 D CA 1.590 55.586 54.000 -0.008 0.000 0.831 261 D CB -0.123 40.675 40.800 -0.002 0.000 0.974 261 D HN 0.202 nan 8.370 nan 0.000 0.469 262 T N 1.548 116.110 114.554 0.014 0.000 2.746 262 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 262 T C 2.250 176.948 174.700 -0.004 0.000 1.039 262 T CA 0.515 62.656 62.100 0.068 0.000 1.142 262 T CB -0.182 68.828 68.868 0.237 0.000 0.866 262 T HN 0.082 nan 8.240 nan 0.000 0.444 263 L N 0.417 121.607 121.223 -0.056 0.000 2.141 263 L HA -0.015 4.325 4.340 -0.000 0.000 0.209 263 L C 2.774 179.610 176.870 -0.056 0.000 1.094 263 L CA 1.138 55.919 54.840 -0.099 0.000 0.763 263 L CB -0.375 41.574 42.059 -0.183 0.000 0.908 263 L HN 0.144 nan 8.230 nan 0.000 0.437 264 R N 0.189 120.669 120.500 -0.033 0.000 2.092 264 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 264 R C 2.310 178.602 176.300 -0.014 0.000 1.119 264 R CA 1.261 57.352 56.100 -0.016 0.000 0.970 264 R CB -0.168 30.128 30.300 -0.007 0.000 0.864 264 R HN 0.314 nan 8.270 nan 0.000 0.440 265 A N 0.925 123.739 122.820 -0.011 0.000 1.930 265 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 265 A C 2.094 179.667 177.584 -0.018 0.000 1.175 265 A CA 1.184 53.215 52.037 -0.010 0.000 0.627 265 A CB -0.413 18.585 19.000 -0.003 0.000 0.815 265 A HN 0.350 nan 8.150 nan 0.000 0.443 266 I N -0.648 119.907 120.570 -0.025 0.000 2.286 266 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 266 I C 1.190 177.291 176.117 -0.026 0.000 1.115 266 I CA 1.205 62.486 61.300 -0.032 0.000 1.392 266 I CB -0.437 37.537 38.000 -0.044 0.000 1.065 266 I HN 0.602 nan 8.210 nan 0.000 0.418 267 N N 0.709 119.395 118.700 -0.023 0.000 2.740 267 N HA -0.233 4.507 4.740 -0.000 0.000 0.248 267 N C 0.868 176.371 175.510 -0.010 0.000 1.062 267 N CA 0.246 53.287 53.050 -0.014 0.000 0.704 267 N CB -0.802 37.678 38.487 -0.012 0.000 0.968 267 N HN 0.692 nan 8.380 nan 0.000 0.547 268 G N -0.575 108.219 108.800 -0.010 0.000 2.179 268 G HA2 -0.345 3.614 3.960 -0.000 0.000 0.260 268 G HA3 -0.345 3.614 3.960 -0.000 0.000 0.260 268 G C 0.246 175.141 174.900 -0.007 0.000 0.977 268 G CA 0.676 45.775 45.100 -0.001 0.000 0.641 268 G HN 0.593 nan 8.290 nan 0.000 0.533 269 R N -0.191 120.300 120.500 -0.015 0.000 2.679 269 R HA 0.453 4.793 4.340 -0.000 0.000 0.269 269 R C 0.721 177.009 176.300 -0.021 0.000 1.076 269 R CA -0.191 55.898 56.100 -0.019 0.000 1.160 269 R CB 0.767 31.054 30.300 -0.023 0.000 1.054 269 R HN 0.109 nan 8.270 nan 0.000 0.507 270 V N 3.336 123.237 119.914 -0.022 0.000 2.614 270 V HA 0.260 4.379 4.120 -0.000 0.000 0.291 270 V C 0.419 176.496 176.094 -0.028 0.000 1.049 270 V CA 0.171 62.456 62.300 -0.024 0.000 1.038 270 V CB 0.555 32.361 31.823 -0.028 0.000 0.980 270 V HN 0.589 nan 8.190 nan 0.000 0.481 271 I N 2.431 122.987 120.570 -0.024 0.000 2.841 271 I HA 0.389 4.559 4.170 -0.000 0.000 0.298 271 I C -0.749 175.378 176.117 0.017 0.000 1.304 271 I CA -0.620 60.666 61.300 -0.024 0.000 1.019 271 I CB 2.319 40.293 38.000 -0.043 0.000 1.282 271 I HN 0.835 nan 8.210 nan 0.000 0.432 272 H N 5.293 124.283 119.070 -0.133 0.000 2.640 272 H HA 0.338 4.894 4.556 -0.000 0.000 0.297 272 H C -0.789 174.441 175.328 -0.163 0.000 1.073 272 H CA -0.432 55.542 56.048 -0.123 0.000 1.305 272 H CB 1.149 30.831 29.762 -0.133 0.000 1.404 272 H HN 0.465 nan 8.280 nan 0.000 0.459 273 S N 6.404 122.216 115.700 0.188 0.000 2.400 273 S HA 0.145 4.615 4.470 -0.000 0.000 0.295 273 S C -0.340 174.377 174.600 0.194 0.000 1.113 273 S CA -0.754 57.498 58.200 0.086 0.000 1.064 273 S CB -0.367 62.877 63.200 0.073 0.000 0.990 273 S HN 0.404 nan 8.310 nan 0.000 0.502 274 F N 4.261 124.094 119.950 -0.196 0.000 2.444 274 F HA 0.224 4.751 4.527 -0.000 0.000 0.331 274 F C 1.354 176.864 175.800 -0.483 0.000 1.167 274 F CA -0.642 57.149 58.000 -0.349 0.000 1.262 274 F CB -0.166 38.483 39.000 -0.585 0.000 1.196 274 F HN 0.820 nan 8.300 nan 0.000 0.583 275 H N -0.797 118.450 119.070 0.295 0.000 2.000 275 H HA -0.150 4.406 4.556 -0.000 0.000 0.321 275 H C 0.685 176.067 175.328 0.090 0.000 0.878 275 H CA 0.406 56.534 56.048 0.134 0.000 1.061 275 H CB -1.867 27.937 29.762 0.069 0.000 1.579 275 H HN 0.331 nan 8.280 nan 0.000 0.316 276 V N 0.269 120.292 119.914 0.182 0.000 2.720 276 V HA -0.227 3.893 4.120 -0.000 0.000 0.256 276 V C 2.453 178.603 176.094 0.093 0.000 1.082 276 V CA 2.266 64.641 62.300 0.125 0.000 1.101 276 V CB -0.122 31.753 31.823 0.086 0.000 0.693 276 V HN 0.811 nan 8.190 nan 0.000 0.479 277 E N 0.333 120.582 120.200 0.081 0.000 2.110 277 E HA -0.082 4.267 4.350 -0.000 0.000 0.193 277 E C 1.760 178.354 176.600 -0.010 0.000 0.988 277 E CA 1.351 57.763 56.400 0.019 0.000 0.804 277 E CB -0.028 29.674 29.700 0.002 0.000 0.745 277 E HN 0.694 nan 8.360 nan 0.000 0.458 278 G N -0.410 108.396 108.800 0.010 0.000 2.201 278 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.212 278 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.212 278 G C 1.238 176.049 174.900 -0.148 0.000 0.994 278 G CA 0.759 45.824 45.100 -0.057 0.000 0.644 278 G HN 0.579 nan 8.290 nan 0.000 0.508 279 A N 0.634 123.368 122.820 -0.145 0.000 1.902 279 A HA 0.318 4.638 4.320 -0.000 0.000 0.217 279 A C 2.676 180.154 177.584 -0.175 0.000 1.181 279 A CA 2.404 54.345 52.037 -0.159 0.000 0.623 279 A CB -0.917 17.971 19.000 -0.187 0.000 0.818 279 A HN 1.610 nan 8.150 nan 0.000 0.443 280 G N -1.477 107.160 108.800 -0.272 0.000 2.679 280 G HA2 0.409 4.369 3.960 -0.000 0.000 0.212 280 G HA3 0.409 4.369 3.960 -0.000 0.000 0.212 280 G C 0.703 174.985 174.900 -1.031 0.000 1.137 280 G CA 0.864 45.643 45.100 -0.535 0.000 0.787 280 G HN 1.656 nan 8.290 nan 0.000 0.534 281 G N -2.334 105.961 108.800 -0.842 0.000 2.351 281 G HA2 0.575 4.535 3.960 -0.000 0.000 0.472 281 G HA3 0.575 4.535 3.960 -0.000 0.000 0.472 281 G C -0.363 174.223 174.900 -0.524 0.000 1.570 281 G CA -0.062 44.515 45.100 -0.871 0.000 0.921 281 G HN 1.755 nan 8.290 nan 0.000 0.674 282 G N 0.615 109.251 108.800 -0.273 0.000 2.312 282 G HA2 0.489 4.449 3.960 -0.000 0.000 0.347 282 G HA3 0.489 4.449 3.960 -0.000 0.000 0.347 282 G C -0.448 174.431 174.900 -0.035 0.000 1.564 282 G CA -0.420 44.604 45.100 -0.126 0.000 0.981 282 G HN 1.519 nan 8.290 nan 0.000 0.678 283 H N -0.125 118.972 119.070 0.045 0.000 3.199 283 H HA 0.148 4.704 4.556 -0.000 0.000 0.267 283 H C 1.095 176.447 175.328 0.040 0.000 0.848 283 H CA 1.578 57.666 56.048 0.067 0.000 1.426 283 H CB 0.110 29.920 29.762 0.080 0.000 1.350 283 H HN 1.057 nan 8.280 nan 0.000 0.527 284 A N 7.087 130.005 122.820 0.162 0.000 2.301 284 A HA 0.321 4.641 4.320 -0.000 0.000 0.298 284 A C -1.384 176.236 177.584 0.060 0.000 1.185 284 A CA -1.230 50.840 52.037 0.054 0.000 0.830 284 A CB 0.827 19.856 19.000 0.047 0.000 1.112 284 A HN 0.501 nan 8.150 nan 0.000 0.508 285 P HA 0.125 nan 4.420 nan 0.000 0.282 285 P C -0.354 176.884 177.300 -0.103 0.000 1.327 285 P CA 0.286 63.273 63.100 -0.188 0.000 0.949 285 P CB 0.539 31.962 31.700 -0.463 0.000 1.445 286 D N -0.510 119.883 120.400 -0.012 0.000 2.463 286 D HA 0.019 4.659 4.640 -0.000 0.000 0.224 286 D C 1.326 177.648 176.300 0.037 0.000 1.174 286 D CA -0.629 53.374 54.000 0.004 0.000 0.829 286 D CB -0.555 40.242 40.800 -0.004 0.000 0.993 286 D HN -0.006 nan 8.370 nan 0.000 0.497 287 I N 0.223 120.833 120.570 0.065 0.000 2.454 287 I HA -0.096 4.074 4.170 -0.000 0.000 0.254 287 I C 1.912 178.068 176.117 0.066 0.000 1.156 287 I CA 1.053 62.412 61.300 0.099 0.000 1.433 287 I CB -0.152 37.912 38.000 0.107 0.000 1.082 287 I HN 0.081 nan 8.210 nan 0.000 0.432 288 M N -0.181 119.442 119.600 0.038 0.000 2.549 288 M HA -0.053 4.427 4.480 -0.000 0.000 0.260 288 M C 1.933 178.258 176.300 0.042 0.000 1.076 288 M CA 1.366 56.686 55.300 0.032 0.000 1.090 288 M CB -0.114 32.490 32.600 0.007 0.000 1.418 288 M HN 0.348 nan 8.290 nan 0.000 0.486 289 A N 0.134 122.986 122.820 0.053 0.000 2.168 289 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 289 A C 1.939 179.621 177.584 0.163 0.000 1.152 289 A CA 0.835 52.922 52.037 0.083 0.000 0.716 289 A CB -0.573 18.472 19.000 0.076 0.000 0.794 289 A HN 0.551 nan 8.150 nan 0.000 0.465 290 M N -0.570 119.100 119.600 0.117 0.000 2.267 290 M HA -0.167 4.313 4.480 -0.000 0.000 0.263 290 M C 2.247 178.642 176.300 0.158 0.000 1.063 290 M CA 1.480 56.849 55.300 0.115 0.000 1.090 290 M CB -0.758 31.867 32.600 0.043 0.000 1.392 290 M HN 0.494 nan 8.290 nan 0.000 0.422 291 A N 0.023 122.900 122.820 0.096 0.000 2.239 291 A HA 0.154 4.474 4.320 -0.000 0.000 0.209 291 A C 2.149 179.757 177.584 0.040 0.000 1.171 291 A CA 1.286 53.351 52.037 0.048 0.000 0.768 291 A CB -0.974 18.026 19.000 -0.001 0.000 0.790 291 A HN 0.550 nan 8.150 nan 0.000 0.478 292 G N -1.756 107.084 108.800 0.067 0.000 2.744 292 G HA2 0.110 4.070 3.960 -0.000 0.000 0.211 292 G HA3 0.110 4.070 3.960 -0.000 0.000 0.211 292 G C 0.608 175.445 174.900 -0.105 0.000 1.146 292 G CA -0.203 44.871 45.100 -0.042 0.000 0.787 292 G HN 0.646 nan 8.290 nan 0.000 0.534 293 H N 0.581 119.642 119.070 -0.016 0.000 2.562 293 H HA 0.122 4.678 4.556 -0.000 0.000 0.352 293 H C -1.353 173.962 175.328 -0.021 0.000 1.125 293 H CA -1.304 54.735 56.048 -0.016 0.000 1.379 293 H CB 2.338 32.093 29.762 -0.011 0.000 1.464 293 H HN 0.036 nan 8.280 nan 0.000 0.563 294 P HA -0.100 nan 4.420 nan 0.000 0.225 294 P C 0.725 178.040 177.300 0.026 0.000 1.156 294 P CA 0.884 63.998 63.100 0.024 0.000 0.787 294 P CB 0.368 32.071 31.700 0.005 0.000 0.802 295 N N -0.288 118.442 118.700 0.050 0.000 2.270 295 N HA 0.043 4.783 4.740 -0.000 0.000 0.198 295 N C -0.091 175.425 175.510 0.011 0.000 1.117 295 N CA -0.034 53.028 53.050 0.019 0.000 0.845 295 N CB -0.089 38.407 38.487 0.015 0.000 0.980 295 N HN -0.036 nan 8.380 nan 0.000 0.486 296 V N 1.693 121.624 119.914 0.028 0.000 2.435 296 V HA 0.346 4.465 4.120 -0.000 0.000 0.290 296 V C 0.056 176.145 176.094 -0.008 0.000 1.030 296 V CA -0.779 61.531 62.300 0.017 0.000 0.881 296 V CB 1.992 33.841 31.823 0.043 0.000 0.983 296 V HN 0.117 nan 8.190 nan 0.000 0.445 297 L N 7.664 128.871 121.223 -0.028 0.000 2.297 297 L HA 0.428 4.768 4.340 -0.000 0.000 0.277 297 L C -2.471 174.357 176.870 -0.069 0.000 1.040 297 L CA -1.552 53.228 54.840 -0.100 0.000 0.867 297 L CB 1.504 43.447 42.059 -0.194 0.000 1.244 297 L HN 0.425 nan 8.230 nan 0.000 0.433 298 P HA 0.231 nan 4.420 nan 0.000 0.293 298 P C -0.770 176.562 177.300 0.054 0.000 1.300 298 P CA -0.338 62.787 63.100 0.041 0.000 0.792 298 P CB 1.696 33.395 31.700 -0.001 0.000 0.925 299 S N 1.664 117.488 115.700 0.207 0.000 2.566 299 S HA 0.700 5.170 4.470 -0.000 0.000 0.298 299 S C -0.260 174.467 174.600 0.212 0.000 1.083 299 S CA -0.659 57.684 58.200 0.239 0.000 0.978 299 S CB 1.145 64.608 63.200 0.437 0.000 1.073 299 S HN 0.248 nan 8.310 nan 0.000 0.491 300 S N 1.516 117.349 115.700 0.222 0.000 2.608 300 S HA 0.754 5.223 4.470 -0.000 0.000 0.291 300 S C 0.370 175.045 174.600 0.125 0.000 1.146 300 S CA -0.709 57.617 58.200 0.211 0.000 1.043 300 S CB 1.386 64.772 63.200 0.310 0.000 1.037 300 S HN 0.993 nan 8.310 nan 0.000 0.520 301 T N -0.202 114.404 114.554 0.087 0.000 2.897 301 T HA 0.329 4.678 4.350 -0.000 0.000 0.278 301 T C 0.836 175.532 174.700 -0.007 0.000 0.981 301 T CA -0.734 61.351 62.100 -0.026 0.000 0.973 301 T CB 0.447 69.258 68.868 -0.095 0.000 1.092 301 T HN 0.580 nan 8.240 nan 0.000 0.543 302 N N -0.820 117.853 118.700 -0.045 0.000 2.325 302 N HA 0.150 4.890 4.740 -0.000 0.000 0.182 302 N C -1.685 173.824 175.510 -0.001 0.000 1.088 302 N CA -0.628 52.403 53.050 -0.031 0.000 0.879 302 N CB -1.073 37.378 38.487 -0.060 0.000 0.983 302 N HN 0.360 nan 8.380 nan 0.000 0.471 303 P HA 0.026 nan 4.420 nan 0.000 0.229 303 P C 0.813 178.239 177.300 0.210 0.000 1.160 303 P CA 1.322 64.470 63.100 0.080 0.000 0.777 303 P CB -0.130 31.581 31.700 0.019 0.000 0.814 304 T N -4.054 110.590 114.554 0.151 0.000 3.107 304 T HA 0.160 4.510 4.350 -0.000 0.000 0.249 304 T C 0.759 175.508 174.700 0.082 0.000 1.096 304 T CA -0.208 61.943 62.100 0.085 0.000 1.012 304 T CB -0.267 68.592 68.868 -0.015 0.000 0.977 304 T HN -0.100 nan 8.240 nan 0.000 0.527 305 R N 2.674 123.210 120.500 0.060 0.000 2.295 305 R HA 0.470 4.809 4.340 -0.000 0.000 0.324 305 R C -2.769 173.552 176.300 0.035 0.000 0.968 305 R CA -2.290 53.828 56.100 0.030 0.000 0.837 305 R CB 1.328 31.606 30.300 -0.037 0.000 1.133 305 R HN 0.283 nan 8.270 nan 0.000 0.450 306 P HA 0.209 nan 4.420 nan 0.000 0.310 306 P C -0.588 176.823 177.300 0.185 0.000 1.309 306 P CA -0.698 62.462 63.100 0.100 0.000 0.769 306 P CB 0.537 32.288 31.700 0.085 0.000 1.327 307 F N 1.577 121.543 119.950 0.027 0.000 2.466 307 F HA 0.330 4.856 4.527 -0.000 0.000 0.363 307 F C 0.249 176.064 175.800 0.025 0.000 1.109 307 F CA -0.004 58.010 58.000 0.023 0.000 1.161 307 F CB -0.877 38.138 39.000 0.025 0.000 1.117 307 F HN 0.245 nan 8.300 nan 0.000 0.539 308 T N 2.237 116.778 114.554 -0.022 0.000 2.926 308 T HA 0.431 4.781 4.350 -0.000 0.000 0.289 308 T C 1.031 175.582 174.700 -0.248 0.000 1.054 308 T CA -0.180 61.815 62.100 -0.175 0.000 1.015 308 T CB 1.201 70.044 68.868 -0.042 0.000 1.167 308 T HN 0.557 nan 8.240 nan 0.000 0.526 309 V N -0.222 119.572 119.914 -0.201 0.000 2.720 309 V HA -0.006 4.114 4.120 -0.000 0.000 0.256 309 V C 1.551 177.615 176.094 -0.051 0.000 1.082 309 V CA 1.394 63.604 62.300 -0.151 0.000 1.101 309 V CB -1.092 30.667 31.823 -0.107 0.000 0.693 309 V HN 0.807 nan 8.190 nan 0.000 0.479 310 N N 0.235 118.926 118.700 -0.015 0.000 2.299 310 N HA 0.031 4.771 4.740 -0.000 0.000 0.187 310 N C 1.613 177.172 175.510 0.081 0.000 1.099 310 N CA 1.027 54.093 53.050 0.026 0.000 0.867 310 N CB 0.291 38.787 38.487 0.014 0.000 0.974 310 N HN 0.554 nan 8.380 nan 0.000 0.477 311 T N 2.297 116.924 114.554 0.121 0.000 2.607 311 T HA -0.103 4.246 4.350 -0.000 0.000 0.267 311 T C 1.975 176.856 174.700 0.301 0.000 1.049 311 T CA 0.819 63.060 62.100 0.234 0.000 1.162 311 T CB -0.006 69.031 68.868 0.281 0.000 0.863 311 T HN 0.113 nan 8.240 nan 0.000 0.424 312 I N 1.847 122.547 120.570 0.216 0.000 2.208 312 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 312 I C 2.161 178.374 176.117 0.160 0.000 1.097 312 I CA 1.470 62.869 61.300 0.164 0.000 1.363 312 I CB -1.152 36.930 38.000 0.137 0.000 1.051 312 I HN 0.237 nan 8.210 nan 0.000 0.413 313 D N 0.755 121.226 120.400 0.119 0.000 2.178 313 D HA -0.199 4.440 4.640 -0.000 0.000 0.202 313 D C 2.033 178.369 176.300 0.060 0.000 0.974 313 D CA 1.216 55.260 54.000 0.074 0.000 0.841 313 D CB -0.065 40.762 40.800 0.046 0.000 0.953 313 D HN 0.629 nan 8.370 nan 0.000 0.478 314 E N -0.211 120.028 120.200 0.065 0.000 2.274 314 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 314 E C 1.507 178.058 176.600 -0.081 0.000 0.996 314 E CA 0.877 57.259 56.400 -0.031 0.000 0.840 314 E CB -0.307 29.335 29.700 -0.096 0.000 0.772 314 E HN 0.332 nan 8.360 nan 0.000 0.491 315 H N 0.070 119.130 119.070 -0.017 0.000 2.395 315 H HA -0.011 4.545 4.556 -0.000 0.000 0.299 315 H C 1.821 177.123 175.328 -0.043 0.000 1.070 315 H CA 1.343 57.371 56.048 -0.033 0.000 1.356 315 H CB 0.050 29.795 29.762 -0.028 0.000 1.401 315 H HN 0.123 nan 8.280 nan 0.000 0.524 316 L N 0.717 121.975 121.223 0.058 0.000 1.955 316 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 316 L C 1.632 178.488 176.870 -0.024 0.000 1.072 316 L CA 1.983 56.829 54.840 0.010 0.000 0.755 316 L CB -0.494 41.569 42.059 0.007 0.000 0.888 316 L HN 0.268 nan 8.230 nan 0.000 0.432 317 D N -0.938 119.443 120.400 -0.032 0.000 2.182 317 D HA -0.252 4.388 4.640 -0.000 0.000 0.201 317 D C 2.164 178.424 176.300 -0.066 0.000 0.986 317 D CA 1.583 55.556 54.000 -0.046 0.000 0.847 317 D CB -0.119 40.654 40.800 -0.044 0.000 0.942 317 D HN 0.464 nan 8.370 nan 0.000 0.467 318 M N 0.470 120.015 119.600 -0.092 0.000 2.067 318 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 318 M C 2.282 178.518 176.300 -0.107 0.000 1.069 318 M CA 1.162 56.387 55.300 -0.126 0.000 1.117 318 M CB -0.093 32.387 32.600 -0.200 0.000 1.334 318 M HN 0.007 nan 8.290 nan 0.000 0.407 319 L N 0.575 121.756 121.223 -0.069 0.000 1.989 319 L HA -0.286 4.054 4.340 -0.000 0.000 0.211 319 L C 2.490 179.352 176.870 -0.014 0.000 1.071 319 L CA 1.408 56.238 54.840 -0.017 0.000 0.749 319 L CB -0.271 41.774 42.059 -0.024 0.000 0.890 319 L HN 0.396 nan 8.230 nan 0.000 0.431 320 M N -1.189 118.388 119.600 -0.038 0.000 2.108 320 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 320 M C 2.260 178.546 176.300 -0.024 0.000 1.066 320 M CA 1.511 56.796 55.300 -0.026 0.000 1.107 320 M CB -1.130 31.450 32.600 -0.035 0.000 1.356 320 M HN 0.214 nan 8.290 nan 0.000 0.406 321 V N -0.069 119.815 119.914 -0.050 0.000 2.358 321 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 321 V C 2.684 178.733 176.094 -0.075 0.000 1.047 321 V CA 1.846 64.115 62.300 -0.051 0.000 1.035 321 V CB -0.742 31.042 31.823 -0.064 0.000 0.658 321 V HN 0.687 nan 8.190 nan 0.000 0.452 322 C N 0.372 119.575 119.300 -0.162 0.000 2.432 322 C HA -0.181 4.279 4.460 -0.000 0.000 0.277 322 C C 2.430 177.209 174.990 -0.351 0.000 1.249 322 C CA 1.033 59.861 59.018 -0.316 0.000 1.725 322 C CB -1.272 26.182 27.740 -0.478 0.000 2.028 322 C HN 0.683 nan 8.230 nan 0.000 0.477 323 H N -0.979 118.092 119.070 0.000 0.000 2.538 323 H HA 0.123 4.679 4.556 -0.000 0.000 0.286 323 H C 0.486 175.876 175.328 0.103 0.000 1.035 323 H CA 0.688 56.760 56.048 0.040 0.000 1.169 323 H CB -1.102 28.702 29.762 0.070 0.000 1.417 323 H HN 0.710 nan 8.280 nan 0.000 0.567 324 H N 0.512 119.587 119.070 0.008 0.000 2.592 324 H HA -0.157 4.399 4.556 -0.000 0.000 0.323 324 H C -0.671 174.675 175.328 0.030 0.000 1.117 324 H CA 0.012 56.058 56.048 -0.003 0.000 1.120 324 H CB -1.258 28.488 29.762 -0.027 0.000 1.561 324 H HN 0.294 nan 8.280 nan 0.000 0.409 325 L N 1.443 122.664 121.223 -0.003 0.000 2.358 325 L HA 0.472 4.811 4.340 -0.000 0.000 0.268 325 L C 0.104 176.927 176.870 -0.079 0.000 1.032 325 L CA -0.893 53.940 54.840 -0.012 0.000 0.805 325 L CB 1.407 43.492 42.059 0.044 0.000 1.253 325 L HN 0.138 nan 8.230 nan 0.000 0.452 326 K N 0.311 120.678 120.400 -0.054 0.000 2.376 326 K HA 0.304 4.624 4.320 -0.000 0.000 0.257 326 K C 0.026 176.611 176.600 -0.025 0.000 0.939 326 K CA -0.482 55.769 56.287 -0.060 0.000 0.809 326 K CB 1.837 34.294 32.500 -0.073 0.000 1.121 326 K HN 0.358 nan 8.250 nan 0.000 0.425 327 Q N 0.929 120.714 119.800 -0.026 0.000 2.291 327 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 327 Q C 0.970 176.966 176.000 -0.007 0.000 0.976 327 Q CA 1.682 57.477 55.803 -0.013 0.000 0.875 327 Q CB -0.203 28.525 28.738 -0.015 0.000 0.927 327 Q HN 0.721 nan 8.270 nan 0.000 0.450 328 N N -0.118 118.575 118.700 -0.012 0.000 2.398 328 N HA 0.017 4.757 4.740 -0.000 0.000 0.188 328 N C -0.082 175.426 175.510 -0.002 0.000 1.122 328 N CA -0.069 52.976 53.050 -0.007 0.000 0.866 328 N CB 0.360 38.839 38.487 -0.012 0.000 0.970 328 N HN 0.017 nan 8.380 nan 0.000 0.462 329 I N 1.211 121.782 120.570 0.002 0.000 2.359 329 I HA 0.271 4.441 4.170 -0.000 0.000 0.284 329 I C -1.723 174.408 176.117 0.024 0.000 1.018 329 I CA -2.200 59.107 61.300 0.012 0.000 1.173 329 I CB 1.355 39.363 38.000 0.014 0.000 1.326 329 I HN -0.117 nan 8.210 nan 0.000 0.462 330 P HA -0.140 nan 4.420 nan 0.000 0.215 330 P C 1.110 178.440 177.300 0.049 0.000 1.153 330 P CA 1.422 64.541 63.100 0.032 0.000 0.853 330 P CB 0.497 32.213 31.700 0.026 0.000 0.788 331 E N -0.595 119.635 120.200 0.051 0.000 2.150 331 E HA -0.139 4.210 4.350 -0.000 0.000 0.193 331 E C 1.725 178.397 176.600 0.121 0.000 0.985 331 E CA 0.979 57.420 56.400 0.068 0.000 0.814 331 E CB -0.761 28.963 29.700 0.041 0.000 0.752 331 E HN 0.226 nan 8.360 nan 0.000 0.466 332 D N -0.485 119.982 120.400 0.111 0.000 2.084 332 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 332 D C 1.907 178.285 176.300 0.129 0.000 0.990 332 D CA 0.917 55.014 54.000 0.161 0.000 0.826 332 D CB -0.226 40.631 40.800 0.096 0.000 0.971 332 D HN 0.011 nan 8.370 nan 0.000 0.453 333 V N 1.219 121.175 119.914 0.070 0.000 2.332 333 V HA -0.246 3.873 4.120 -0.000 0.000 0.248 333 V C 2.463 178.591 176.094 0.056 0.000 1.055 333 V CA 1.822 64.146 62.300 0.040 0.000 1.038 333 V CB -0.875 30.966 31.823 0.029 0.000 0.651 333 V HN 0.193 nan 8.190 nan 0.000 0.450 334 A N -0.038 122.835 122.820 0.087 0.000 1.877 334 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 334 A C 2.131 179.808 177.584 0.155 0.000 1.186 334 A CA 2.010 54.109 52.037 0.102 0.000 0.620 334 A CB -0.710 18.348 19.000 0.097 0.000 0.822 334 A HN 0.515 nan 8.150 nan 0.000 0.443 335 F N 1.422 121.377 119.950 0.009 0.000 2.046 335 F HA -0.123 4.403 4.527 -0.000 0.000 0.297 335 F C 2.505 178.302 175.800 -0.006 0.000 1.123 335 F CA 1.161 59.160 58.000 -0.002 0.000 1.199 335 F CB -1.130 37.864 39.000 -0.010 0.000 0.972 335 F HN 0.269 nan 8.300 nan 0.000 0.474 336 A N 0.470 123.150 122.820 -0.232 0.000 1.873 336 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 336 A C 2.269 179.763 177.584 -0.150 0.000 1.193 336 A CA 2.220 54.062 52.037 -0.324 0.000 0.629 336 A CB -1.580 17.316 19.000 -0.174 0.000 0.826 336 A HN 0.652 nan 8.150 nan 0.000 0.447 337 D N 0.108 120.481 120.400 -0.046 0.000 2.178 337 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 337 D C 1.990 178.289 176.300 -0.001 0.000 0.980 337 D CA 1.914 55.910 54.000 -0.007 0.000 0.842 337 D CB -0.101 40.716 40.800 0.029 0.000 0.948 337 D HN 0.524 nan 8.370 nan 0.000 0.472 338 S N -0.079 115.631 115.700 0.017 0.000 2.453 338 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 338 S C 2.003 176.557 174.600 -0.077 0.000 1.005 338 S CA 0.176 58.383 58.200 0.011 0.000 0.949 338 S CB -0.303 62.943 63.200 0.078 0.000 0.774 338 S HN 0.231 nan 8.310 nan 0.000 0.510 339 R N 0.289 120.736 120.500 -0.088 0.000 2.236 339 R HA 0.336 4.676 4.340 -0.000 0.000 0.208 339 R C -0.154 176.057 176.300 -0.149 0.000 1.036 339 R CA 0.511 56.533 56.100 -0.131 0.000 1.001 339 R CB -0.119 30.082 30.300 -0.166 0.000 0.896 339 R HN 0.455 nan 8.270 nan 0.000 0.464 340 I N 1.630 122.128 120.570 -0.119 0.000 2.371 340 I HA 0.251 4.421 4.170 -0.000 0.000 0.282 340 I C -0.610 175.452 176.117 -0.091 0.000 1.031 340 I CA -0.326 60.904 61.300 -0.117 0.000 1.180 340 I CB 1.215 39.181 38.000 -0.057 0.000 1.336 340 I HN -0.127 nan 8.210 nan 0.000 0.467 341 R N 6.800 127.220 120.500 -0.132 0.000 2.514 341 R HA 0.337 4.677 4.340 -0.000 0.000 0.296 341 R C -2.133 174.086 176.300 -0.134 0.000 1.012 341 R CA -1.503 54.548 56.100 -0.081 0.000 0.897 341 R CB 1.940 32.151 30.300 -0.149 0.000 1.184 341 R HN 0.194 nan 8.270 nan 0.000 0.440 342 P HA -0.142 nan 4.420 nan 0.000 0.217 342 P C 0.334 177.438 177.300 -0.328 0.000 1.150 342 P CA 1.224 64.185 63.100 -0.231 0.000 0.832 342 P CB 0.478 32.215 31.700 0.062 0.000 0.787 343 E N -0.197 119.941 120.200 -0.103 0.000 2.085 343 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 343 E C 2.088 178.619 176.600 -0.116 0.000 0.994 343 E CA 2.294 58.659 56.400 -0.059 0.000 0.801 343 E CB -1.430 28.313 29.700 0.073 0.000 0.743 343 E HN 0.418 nan 8.360 nan 0.000 0.453 344 T N -1.461 113.014 114.554 -0.131 0.000 2.978 344 T HA 0.054 4.403 4.350 -0.000 0.000 0.262 344 T C 2.031 176.621 174.700 -0.182 0.000 1.063 344 T CA 0.438 62.464 62.100 -0.125 0.000 1.140 344 T CB -0.309 68.490 68.868 -0.115 0.000 0.886 344 T HN 0.025 nan 8.240 nan 0.000 0.470 345 I N 2.099 122.488 120.570 -0.302 0.000 2.226 345 I HA -0.077 4.093 4.170 -0.000 0.000 0.245 345 I C 3.178 179.044 176.117 -0.418 0.000 1.100 345 I CA 1.193 62.276 61.300 -0.362 0.000 1.374 345 I CB -0.544 37.170 38.000 -0.478 0.000 1.057 345 I HN 0.318 nan 8.210 nan 0.000 0.413 346 A N 0.680 123.111 122.820 -0.650 0.000 1.902 346 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 346 A C 2.504 180.043 177.584 -0.075 0.000 1.181 346 A CA 1.913 53.749 52.037 -0.334 0.000 0.623 346 A CB -0.811 18.062 19.000 -0.213 0.000 0.818 346 A HN 0.437 nan 8.150 nan 0.000 0.443 347 A N -0.558 122.213 122.820 -0.082 0.000 1.968 347 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 347 A C 1.970 179.558 177.584 0.008 0.000 1.169 347 A CA 1.541 53.569 52.037 -0.015 0.000 0.638 347 A CB -0.472 18.517 19.000 -0.019 0.000 0.812 347 A HN 0.676 nan 8.150 nan 0.000 0.446 348 E N 0.087 120.283 120.200 -0.007 0.000 2.118 348 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 348 E C 1.156 177.842 176.600 0.144 0.000 0.992 348 E CA 1.469 57.899 56.400 0.051 0.000 0.804 348 E CB -0.144 29.581 29.700 0.043 0.000 0.741 348 E HN 0.527 nan 8.360 nan 0.000 0.458 349 D N 0.440 120.918 120.400 0.129 0.000 2.092 349 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 349 D C 2.027 178.444 176.300 0.194 0.000 0.994 349 D CA 1.262 55.371 54.000 0.182 0.000 0.828 349 D CB -0.270 40.632 40.800 0.170 0.000 0.963 349 D HN 0.307 nan 8.370 nan 0.000 0.450 350 I N 0.507 121.158 120.570 0.135 0.000 2.179 350 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 350 I C 2.428 178.601 176.117 0.093 0.000 1.088 350 I CA 0.618 61.989 61.300 0.118 0.000 1.357 350 I CB -0.213 37.838 38.000 0.085 0.000 1.051 350 I HN -0.007 nan 8.210 nan 0.000 0.409 351 L N -0.244 121.008 121.223 0.048 0.000 2.081 351 L HA -0.283 4.056 4.340 -0.000 0.000 0.212 351 L C 2.733 179.557 176.870 -0.078 0.000 1.080 351 L CA 1.369 56.197 54.840 -0.021 0.000 0.754 351 L CB -1.086 40.935 42.059 -0.064 0.000 0.893 351 L HN 0.395 nan 8.230 nan 0.000 0.433 352 H N -0.423 118.639 119.070 -0.014 0.000 2.321 352 H HA -0.198 4.357 4.556 -0.000 0.000 0.300 352 H C 1.869 177.107 175.328 -0.150 0.000 1.087 352 H CA 2.098 58.082 56.048 -0.106 0.000 1.319 352 H CB -0.041 29.676 29.762 -0.076 0.000 1.379 352 H HN 0.338 nan 8.280 nan 0.000 0.501 353 D N 0.325 120.824 120.400 0.164 0.000 2.178 353 D HA -0.087 4.552 4.640 -0.000 0.000 0.201 353 D C 2.093 178.488 176.300 0.157 0.000 0.980 353 D CA 0.431 54.566 54.000 0.226 0.000 0.842 353 D CB -0.086 40.876 40.800 0.271 0.000 0.948 353 D HN 0.247 nan 8.370 nan 0.000 0.472 354 L N -1.294 119.988 121.223 0.099 0.000 2.558 354 L HA 0.218 4.558 4.340 -0.000 0.000 0.225 354 L C 1.445 178.356 176.870 0.069 0.000 1.128 354 L CA 0.436 55.332 54.840 0.093 0.000 0.868 354 L CB 0.010 42.105 42.059 0.060 0.000 1.006 354 L HN 0.220 nan 8.230 nan 0.000 0.454 355 G N 0.289 109.093 108.800 0.006 0.000 2.149 355 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.235 355 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.235 355 G C 0.636 175.508 174.900 -0.046 0.000 1.018 355 G CA 0.379 45.468 45.100 -0.018 0.000 0.728 355 G HN 0.376 nan 8.290 nan 0.000 0.508 356 I N -0.387 120.136 120.570 -0.078 0.000 2.867 356 I HA 0.281 4.451 4.170 -0.000 0.000 0.265 356 I C 1.249 177.281 176.117 -0.141 0.000 1.162 356 I CA 0.451 61.702 61.300 -0.083 0.000 1.471 356 I CB 0.151 38.117 38.000 -0.056 0.000 1.123 356 I HN 0.158 nan 8.210 nan 0.000 0.440 357 I N 0.502 120.909 120.570 -0.272 0.000 2.315 357 I HA 0.107 4.277 4.170 -0.000 0.000 0.291 357 I C 0.929 176.843 176.117 -0.337 0.000 1.006 357 I CA 0.049 61.120 61.300 -0.383 0.000 1.265 357 I CB 1.589 39.168 38.000 -0.702 0.000 1.387 357 I HN -0.049 nan 8.210 nan 0.000 0.475 358 S N 5.713 121.310 115.700 -0.171 0.000 2.478 358 S HA 0.288 4.758 4.470 -0.000 0.000 0.222 358 S C 0.458 175.029 174.600 -0.048 0.000 1.008 358 S CA 0.526 58.662 58.200 -0.107 0.000 0.928 358 S CB 0.124 63.263 63.200 -0.103 0.000 0.781 358 S HN 0.547 nan 8.310 nan 0.000 0.518 359 M N 0.662 120.272 119.600 0.016 0.000 2.575 359 M HA 0.485 4.965 4.480 -0.000 0.000 0.284 359 M C -1.173 175.243 176.300 0.193 0.000 1.253 359 M CA -0.376 54.969 55.300 0.075 0.000 0.861 359 M CB 2.066 34.680 32.600 0.023 0.000 1.733 359 M HN 0.007 nan 8.290 nan 0.000 0.462 360 M N 1.106 120.800 119.600 0.156 0.000 2.762 360 M HA 0.784 5.264 4.480 -0.000 0.000 0.306 360 M C -0.364 176.003 176.300 0.112 0.000 1.223 360 M CA -0.400 54.972 55.300 0.120 0.000 0.896 360 M CB 2.018 34.652 32.600 0.058 0.000 1.684 360 M HN 0.883 nan 8.290 nan 0.000 0.491 361 S N -0.986 114.748 115.700 0.058 0.000 2.627 361 S HA 0.457 4.926 4.470 -0.000 0.000 0.268 361 S C 0.090 174.662 174.600 -0.047 0.000 1.130 361 S CA -0.011 58.206 58.200 0.028 0.000 0.819 361 S CB 1.019 64.240 63.200 0.034 0.000 1.100 361 S HN 0.773 nan 8.310 nan 0.000 0.465 362 T N -2.188 112.324 114.554 -0.070 0.000 2.988 362 T HA 0.261 4.611 4.350 -0.000 0.000 0.240 362 T C 0.494 175.079 174.700 -0.192 0.000 1.014 362 T CA 1.254 63.293 62.100 -0.102 0.000 1.155 362 T CB -0.764 68.061 68.868 -0.072 0.000 0.872 362 T HN 1.077 nan 8.240 nan 0.000 0.440 363 D N 1.370 121.611 120.400 -0.266 0.000 2.988 363 D HA -0.113 4.527 4.640 -0.000 0.000 0.221 363 D C 0.187 176.435 176.300 -0.087 0.000 1.122 363 D CA 0.690 54.484 54.000 -0.343 0.000 0.821 363 D CB -1.708 38.772 40.800 -0.533 0.000 1.098 363 D HN 0.939 nan 8.370 nan 0.000 0.433 364 A N 0.463 123.266 122.820 -0.029 0.000 2.581 364 A HA 0.246 4.566 4.320 -0.000 0.000 0.257 364 A C 1.874 179.414 177.584 -0.074 0.000 1.022 364 A CA 1.242 53.249 52.037 -0.051 0.000 0.812 364 A CB -0.257 18.715 19.000 -0.047 0.000 0.918 364 A HN 1.051 nan 8.150 nan 0.000 0.516 365 L N -0.217 120.932 121.223 -0.124 0.000 4.937 365 L HA -0.293 4.047 4.340 -0.000 0.000 0.422 365 L C 0.834 177.550 176.870 -0.256 0.000 1.059 365 L CA 0.931 55.684 54.840 -0.146 0.000 1.111 365 L CB -1.677 40.332 42.059 -0.082 0.000 2.033 365 L HN 1.294 nan 8.230 nan 0.000 0.708 366 A N 0.002 122.592 122.820 -0.383 0.000 3.415 366 A HA 0.679 4.999 4.320 -0.000 0.000 0.244 366 A C 0.669 178.041 177.584 -0.353 0.000 0.988 366 A CA 0.229 51.949 52.037 -0.528 0.000 0.991 366 A CB 0.405 18.689 19.000 -1.193 0.000 1.240 366 A HN 0.330 nan 8.150 nan 0.000 0.541 367 M N -1.199 118.251 119.600 -0.249 0.000 2.536 367 M HA -0.145 4.334 4.480 -0.000 0.000 0.206 367 M C 0.215 176.419 176.300 -0.161 0.000 0.587 367 M CA 1.032 56.225 55.300 -0.179 0.000 0.577 367 M CB -1.712 30.818 32.600 -0.116 0.000 1.897 367 M HN 1.304 nan 8.290 nan 0.000 0.848 368 G N 0.577 109.278 108.800 -0.165 0.000 2.556 368 G HA2 0.636 4.596 3.960 -0.000 0.000 0.294 368 G HA3 0.636 4.596 3.960 -0.000 0.000 0.294 368 G C -1.408 173.419 174.900 -0.123 0.000 1.516 368 G CA -1.195 43.819 45.100 -0.142 0.000 0.824 368 G HN 0.279 nan 8.290 nan 0.000 0.535 369 R N 1.155 121.592 120.500 -0.106 0.000 2.229 369 R HA 0.529 4.869 4.340 -0.000 0.000 0.332 369 R C 1.288 177.539 176.300 -0.081 0.000 0.989 369 R CA 0.001 56.044 56.100 -0.095 0.000 0.842 369 R CB 1.769 32.010 30.300 -0.100 0.000 1.119 369 R HN 0.662 nan 8.270 nan 0.000 0.456 370 A N 2.777 125.554 122.820 -0.071 0.000 2.032 370 A HA -0.125 4.195 4.320 -0.000 0.000 0.221 370 A C 1.586 179.139 177.584 -0.052 0.000 1.165 370 A CA 1.887 53.889 52.037 -0.058 0.000 0.645 370 A CB -0.164 18.806 19.000 -0.050 0.000 0.807 370 A HN 0.826 nan 8.150 nan 0.000 0.453 371 G N -1.506 107.262 108.800 -0.052 0.000 3.575 371 G HA2 0.383 4.343 3.960 -0.000 0.000 0.273 371 G HA3 0.383 4.343 3.960 -0.000 0.000 0.273 371 G C 0.422 175.301 174.900 -0.034 0.000 1.053 371 G CA 0.106 45.185 45.100 -0.036 0.000 0.803 371 G HN 0.537 nan 8.290 nan 0.000 0.528 372 E N -0.161 120.002 120.200 -0.061 0.000 2.812 372 E HA 0.184 4.534 4.350 -0.000 0.000 0.211 372 E C 1.589 178.132 176.600 -0.095 0.000 0.986 372 E CA -0.336 56.021 56.400 -0.071 0.000 1.119 372 E CB 0.567 30.215 29.700 -0.087 0.000 1.046 372 E HN 0.380 nan 8.360 nan 0.000 0.474 373 M N 0.501 120.036 119.600 -0.108 0.000 2.099 373 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 373 M C 1.802 177.936 176.300 -0.278 0.000 1.067 373 M CA 1.603 56.818 55.300 -0.143 0.000 1.124 373 M CB 0.175 32.717 32.600 -0.097 0.000 1.353 373 M HN 0.037 nan 8.290 nan 0.000 0.410 374 V N 0.930 120.619 119.914 -0.374 0.000 2.307 374 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 374 V C 2.401 178.324 176.094 -0.285 0.000 1.045 374 V CA 1.618 63.545 62.300 -0.622 0.000 1.024 374 V CB -0.981 30.541 31.823 -0.503 0.000 0.651 374 V HN 0.560 nan 8.190 nan 0.000 0.449 375 L N 0.432 121.568 121.223 -0.145 0.000 1.978 375 L HA -0.240 4.100 4.340 -0.000 0.000 0.218 375 L C 2.614 179.462 176.870 -0.037 0.000 1.075 375 L CA 2.150 56.960 54.840 -0.050 0.000 0.767 375 L CB -0.490 41.565 42.059 -0.008 0.000 0.890 375 L HN 0.187 nan 8.230 nan 0.000 0.434 376 R N -1.747 118.704 120.500 -0.081 0.000 2.236 376 R HA -0.037 4.303 4.340 -0.000 0.000 0.208 376 R C 1.973 178.204 176.300 -0.116 0.000 1.036 376 R CA 1.174 57.231 56.100 -0.072 0.000 1.001 376 R CB -0.413 29.846 30.300 -0.068 0.000 0.896 376 R HN 0.431 nan 8.270 nan 0.000 0.464 377 T N -0.035 114.392 114.554 -0.211 0.000 2.708 377 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 377 T C 1.229 175.693 174.700 -0.394 0.000 1.037 377 T CA 1.335 63.256 62.100 -0.299 0.000 1.146 377 T CB -0.188 68.438 68.868 -0.403 0.000 0.865 377 T HN 0.435 nan 8.240 nan 0.000 0.435 378 W N 1.510 122.792 121.300 -0.030 0.000 2.418 378 W HA 0.011 4.671 4.660 -0.000 0.000 0.292 378 W C 2.706 179.161 176.519 -0.106 0.000 1.213 378 W CA 0.124 57.425 57.345 -0.074 0.000 1.283 378 W CB -0.336 29.096 29.460 -0.046 0.000 1.119 378 W HN 0.285 nan 8.180 nan 0.000 0.542 379 Q N -0.262 119.592 119.800 0.089 0.000 2.096 379 Q HA -0.179 4.160 4.340 -0.000 0.000 0.204 379 Q C 2.032 178.033 176.000 0.001 0.000 0.982 379 Q CA 2.288 58.117 55.803 0.043 0.000 0.850 379 Q CB -0.577 28.183 28.738 0.036 0.000 0.901 379 Q HN 0.218 nan 8.270 nan 0.000 0.422 380 T N 0.608 115.142 114.554 -0.033 0.000 2.737 380 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 380 T C 1.895 176.530 174.700 -0.107 0.000 1.038 380 T CA 1.201 63.295 62.100 -0.010 0.000 1.144 380 T CB -0.315 68.578 68.868 0.041 0.000 0.866 380 T HN 0.401 nan 8.240 nan 0.000 0.434 381 A N 1.526 124.082 122.820 -0.440 0.000 1.902 381 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 381 A C 2.060 179.501 177.584 -0.239 0.000 1.181 381 A CA 2.170 53.738 52.037 -0.781 0.000 0.623 381 A CB -0.895 17.384 19.000 -1.201 0.000 0.818 381 A HN 0.580 nan 8.150 nan 0.000 0.443 382 D N -0.633 119.712 120.400 -0.091 0.000 2.117 382 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 382 D C 1.977 178.282 176.300 0.007 0.000 0.987 382 D CA 1.723 55.717 54.000 -0.010 0.000 0.829 382 D CB -0.105 40.709 40.800 0.022 0.000 0.961 382 D HN 0.500 nan 8.370 nan 0.000 0.460 383 K N -0.691 119.717 120.400 0.013 0.000 2.097 383 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 383 K C 1.934 178.566 176.600 0.054 0.000 1.050 383 K CA 0.907 57.217 56.287 0.038 0.000 0.938 383 K CB 0.022 32.553 32.500 0.051 0.000 0.718 383 K HN 0.144 nan 8.250 nan 0.000 0.442 384 M N 1.196 120.830 119.600 0.056 0.000 2.156 384 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 384 M C 2.128 178.475 176.300 0.079 0.000 1.067 384 M CA 1.447 56.801 55.300 0.090 0.000 1.131 384 M CB -0.739 31.947 32.600 0.143 0.000 1.368 384 M HN 0.163 nan 8.290 nan 0.000 0.416 385 K N 0.874 121.308 120.400 0.055 0.000 2.009 385 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 385 K C 1.967 178.606 176.600 0.065 0.000 1.049 385 K CA 1.573 57.900 56.287 0.067 0.000 0.929 385 K CB 0.041 32.579 32.500 0.064 0.000 0.714 385 K HN 0.232 nan 8.250 nan 0.000 0.440 386 K N 0.200 120.634 120.400 0.056 0.000 2.063 386 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 386 K C 2.352 178.983 176.600 0.052 0.000 1.048 386 K CA 1.969 58.287 56.287 0.052 0.000 0.928 386 K CB -0.071 32.456 32.500 0.045 0.000 0.713 386 K HN 0.357 nan 8.250 nan 0.000 0.442 387 Q N -0.269 119.566 119.800 0.058 0.000 2.250 387 Q HA 0.018 4.358 4.340 -0.000 0.000 0.200 387 Q C 1.633 177.670 176.000 0.063 0.000 0.941 387 Q CA 0.727 56.565 55.803 0.060 0.000 0.872 387 Q CB 0.350 29.130 28.738 0.069 0.000 0.965 387 Q HN 0.212 nan 8.270 nan 0.000 0.480 388 R N -0.351 120.192 120.500 0.071 0.000 2.404 388 R HA 0.234 4.573 4.340 -0.000 0.000 0.237 388 R C 0.308 176.649 176.300 0.068 0.000 0.907 388 R CA 0.393 56.537 56.100 0.073 0.000 1.063 388 R CB 1.306 31.660 30.300 0.090 0.000 1.134 388 R HN 0.183 nan 8.270 nan 0.000 0.529 389 G N 2.463 111.303 108.800 0.066 0.000 2.781 389 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.683 389 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.683 389 G C -2.623 172.322 174.900 0.076 0.000 1.390 389 G CA -1.226 43.911 45.100 0.063 0.000 0.850 389 G HN -0.049 nan 8.290 nan 0.000 0.557 390 P HA 0.231 nan 4.420 nan 0.000 0.264 390 P C 0.779 178.126 177.300 0.078 0.000 1.179 390 P CA 0.060 63.210 63.100 0.083 0.000 0.763 390 P CB 0.266 32.006 31.700 0.066 0.000 0.806 391 L N 1.775 123.060 121.223 0.103 0.000 2.467 391 L HA 0.125 4.465 4.340 -0.000 0.000 0.270 391 L C 1.991 178.860 176.870 -0.002 0.000 1.205 391 L CA -0.282 54.603 54.840 0.075 0.000 0.828 391 L CB -0.040 42.102 42.059 0.138 0.000 1.101 391 L HN 0.408 nan 8.230 nan 0.000 0.479 392 A N 1.478 124.274 122.820 -0.039 0.000 1.978 392 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 392 A C 1.933 179.449 177.584 -0.113 0.000 1.170 392 A CA 1.556 53.557 52.037 -0.060 0.000 0.636 392 A CB -0.441 18.525 19.000 -0.057 0.000 0.810 392 A HN 0.893 nan 8.150 nan 0.000 0.448 393 E N 0.765 120.818 120.200 -0.245 0.000 2.338 393 E HA -0.046 4.303 4.350 -0.000 0.000 0.197 393 E C 0.406 176.901 176.600 -0.175 0.000 1.007 393 E CA 0.514 56.688 56.400 -0.378 0.000 0.849 393 E CB 0.018 29.033 29.700 -1.143 0.000 0.774 393 E HN 0.607 nan 8.360 nan 0.000 0.506 394 E N 1.215 121.378 120.200 -0.062 0.000 2.392 394 E HA 0.137 4.487 4.350 -0.000 0.000 0.256 394 E C -0.143 176.469 176.600 0.020 0.000 1.145 394 E CA 0.023 56.444 56.400 0.035 0.000 0.929 394 E CB 0.697 30.436 29.700 0.066 0.000 0.998 394 E HN 0.099 nan 8.360 nan 0.000 0.442 395 K N 0.062 120.485 120.400 0.038 0.000 2.471 395 K HA 0.357 4.677 4.320 -0.000 0.000 0.252 395 K C -1.005 175.608 176.600 0.021 0.000 0.938 395 K CA -1.057 55.245 56.287 0.024 0.000 0.796 395 K CB 0.727 33.245 32.500 0.029 0.000 1.161 395 K HN 0.510 nan 8.250 nan 0.000 0.425 396 N N 1.434 120.137 118.700 0.005 0.000 2.525 396 N HA -0.195 4.545 4.740 -0.000 0.000 0.283 396 N C 0.555 176.053 175.510 -0.020 0.000 1.259 396 N CA 0.838 53.881 53.050 -0.011 0.000 0.689 396 N CB -1.930 36.550 38.487 -0.012 0.000 0.899 396 N HN 1.148 nan 8.380 nan 0.000 0.541 397 G N 0.141 108.925 108.800 -0.026 0.000 2.302 397 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.292 397 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.292 397 G C 0.395 175.291 174.900 -0.007 0.000 1.005 397 G CA 1.474 46.548 45.100 -0.044 0.000 0.708 397 G HN 2.077 nan 8.290 nan 0.000 0.527 398 S N -0.812 114.907 115.700 0.031 0.000 2.610 398 S HA 0.513 4.983 4.470 -0.000 0.000 0.273 398 S C 0.367 175.034 174.600 0.112 0.000 1.274 398 S CA -0.106 58.145 58.200 0.085 0.000 1.023 398 S CB 1.585 64.827 63.200 0.070 0.000 0.962 398 S HN 0.109 nan 8.310 nan 0.000 0.523 399 D N 2.245 122.727 120.400 0.137 0.000 2.525 399 D HA 0.157 4.797 4.640 -0.000 0.000 0.229 399 D C 0.426 176.793 176.300 0.111 0.000 1.202 399 D CA -0.085 53.995 54.000 0.133 0.000 0.828 399 D CB -0.028 40.852 40.800 0.134 0.000 1.008 399 D HN 0.495 nan 8.370 nan 0.000 0.493 400 N N 0.588 119.343 118.700 0.092 0.000 2.104 400 N HA -0.173 4.567 4.740 -0.000 0.000 0.190 400 N C 1.392 176.901 175.510 -0.002 0.000 1.024 400 N CA 0.712 53.788 53.050 0.043 0.000 0.853 400 N CB -0.343 38.175 38.487 0.051 0.000 1.008 400 N HN 0.255 nan 8.380 nan 0.000 0.424 401 F N 1.518 121.423 119.950 -0.074 0.000 2.113 401 F HA -0.042 4.485 4.527 -0.000 0.000 0.297 401 F C 2.500 178.230 175.800 -0.117 0.000 1.103 401 F CA 1.205 59.108 58.000 -0.162 0.000 1.248 401 F CB -0.130 38.845 39.000 -0.041 0.000 0.999 401 F HN -0.098 nan 8.300 nan 0.000 0.475 402 R N 0.453 121.056 120.500 0.171 0.000 2.105 402 R HA -0.148 4.191 4.340 -0.000 0.000 0.239 402 R C 2.225 178.619 176.300 0.156 0.000 1.135 402 R CA 1.741 57.954 56.100 0.189 0.000 0.967 402 R CB -0.405 30.037 30.300 0.237 0.000 0.861 402 R HN 0.397 nan 8.270 nan 0.000 0.442 403 L N 0.295 121.590 121.223 0.121 0.000 2.093 403 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 403 L C 2.237 179.181 176.870 0.123 0.000 1.085 403 L CA 1.564 56.569 54.840 0.275 0.000 0.755 403 L CB -0.461 41.684 42.059 0.143 0.000 0.904 403 L HN 0.216 nan 8.230 nan 0.000 0.435 404 K N 0.048 120.299 120.400 -0.248 0.000 2.103 404 K HA -0.164 4.156 4.320 -0.000 0.000 0.204 404 K C 2.209 178.465 176.600 -0.574 0.000 1.052 404 K CA 0.906 56.875 56.287 -0.530 0.000 0.945 404 K CB -0.125 31.693 32.500 -1.136 0.000 0.722 404 K HN 0.158 nan 8.250 nan 0.000 0.443 405 R N 0.168 120.309 120.500 -0.598 0.000 2.083 405 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 405 R C 1.696 177.880 176.300 -0.194 0.000 1.137 405 R CA 1.672 57.575 56.100 -0.328 0.000 0.951 405 R CB -0.244 29.870 30.300 -0.309 0.000 0.851 405 R HN 0.198 nan 8.270 nan 0.000 0.434 406 Y N -0.708 119.461 120.300 -0.218 0.000 2.314 406 Y HA -0.059 4.491 4.550 -0.000 0.000 0.294 406 Y C 2.208 177.887 175.900 -0.369 0.000 1.119 406 Y CA 1.023 58.932 58.100 -0.319 0.000 1.179 406 Y CB -0.154 37.982 38.460 -0.541 0.000 1.025 406 Y HN -0.067 nan 8.280 nan 0.000 0.541 407 V N -0.881 118.989 119.914 -0.073 0.000 2.490 407 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 407 V C 1.975 177.859 176.094 -0.350 0.000 1.061 407 V CA 2.322 64.521 62.300 -0.169 0.000 1.064 407 V CB -0.506 31.433 31.823 0.193 0.000 0.670 407 V HN 0.412 nan 8.190 nan 0.000 0.461 408 S N -0.233 115.396 115.700 -0.118 0.000 2.419 408 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 408 S C 1.773 176.300 174.600 -0.121 0.000 1.016 408 S CA 1.480 59.646 58.200 -0.056 0.000 0.974 408 S CB -0.280 62.976 63.200 0.093 0.000 0.786 408 S HN 0.677 nan 8.310 nan 0.000 0.492 409 K N 0.658 120.978 120.400 -0.134 0.000 2.211 409 K HA -0.105 4.215 4.320 -0.000 0.000 0.203 409 K C 1.540 178.163 176.600 0.039 0.000 1.050 409 K CA 1.337 57.599 56.287 -0.041 0.000 0.945 409 K CB -0.188 32.305 32.500 -0.013 0.000 0.732 409 K HN 0.775 nan 8.250 nan 0.000 0.451 410 Y N -1.320 118.985 120.300 0.008 0.000 2.500 410 Y HA 0.261 4.811 4.550 -0.000 0.000 0.246 410 Y C 1.360 177.306 175.900 0.076 0.000 1.146 410 Y CA -0.067 58.055 58.100 0.036 0.000 1.230 410 Y CB -0.219 38.257 38.460 0.027 0.000 1.214 410 Y HN -0.057 nan 8.280 nan 0.000 0.526 411 T N -2.349 112.136 114.554 -0.115 0.000 3.479 411 T HA 0.120 4.469 4.350 -0.000 0.000 0.197 411 T C 1.367 176.063 174.700 -0.007 0.000 0.912 411 T CA 0.652 62.745 62.100 -0.012 0.000 1.281 411 T CB -0.807 68.041 68.868 -0.033 0.000 1.588 411 T HN 0.106 nan 8.240 nan 0.000 0.389 412 I N 2.848 123.395 120.570 -0.038 0.000 2.353 412 I HA 0.051 4.221 4.170 -0.000 0.000 0.248 412 I C 1.834 177.863 176.117 -0.147 0.000 1.119 412 I CA 1.144 62.384 61.300 -0.100 0.000 1.417 412 I CB -0.773 37.067 38.000 -0.266 0.000 1.078 412 I HN 0.217 nan 8.210 nan 0.000 0.421 413 N N 1.073 119.690 118.700 -0.139 0.000 2.084 413 N HA -0.088 4.652 4.740 -0.000 0.000 0.190 413 N C -0.832 174.594 175.510 -0.140 0.000 1.030 413 N CA 1.775 54.739 53.050 -0.143 0.000 0.849 413 N CB -1.999 36.415 38.487 -0.122 0.000 1.012 413 N HN 0.306 nan 8.380 nan 0.000 0.423 414 P HA -0.069 nan 4.420 nan 0.000 0.215 414 P C 1.077 178.285 177.300 -0.152 0.000 1.153 414 P CA 1.614 64.660 63.100 -0.090 0.000 0.853 414 P CB -0.059 31.647 31.700 0.010 0.000 0.788 415 A N -0.578 122.157 122.820 -0.142 0.000 1.877 415 A HA -0.169 4.150 4.320 -0.000 0.000 0.216 415 A C 2.251 179.724 177.584 -0.184 0.000 1.186 415 A CA 1.477 53.403 52.037 -0.186 0.000 0.620 415 A CB -1.635 17.297 19.000 -0.113 0.000 0.822 415 A HN 0.104 nan 8.150 nan 0.000 0.443 416 I N -0.163 120.317 120.570 -0.149 0.000 2.163 416 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 416 I C 2.970 179.001 176.117 -0.143 0.000 1.085 416 I CA 1.170 62.392 61.300 -0.130 0.000 1.347 416 I CB -0.367 37.549 38.000 -0.139 0.000 1.044 416 I HN 0.362 nan 8.210 nan 0.000 0.408 417 A N -0.177 122.536 122.820 -0.178 0.000 1.933 417 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 417 A C 2.217 179.704 177.584 -0.162 0.000 1.175 417 A CA 1.738 53.663 52.037 -0.186 0.000 0.628 417 A CB -0.497 18.322 19.000 -0.301 0.000 0.814 417 A HN 0.393 nan 8.150 nan 0.000 0.444 418 Q N -1.560 118.095 119.800 -0.242 0.000 2.389 418 Q HA 0.252 4.591 4.340 -0.000 0.000 0.204 418 Q C 1.028 176.865 176.000 -0.271 0.000 0.944 418 Q CA 1.042 56.626 55.803 -0.364 0.000 0.908 418 Q CB 0.026 28.292 28.738 -0.786 0.000 1.002 418 Q HN 1.012 nan 8.270 nan 0.000 0.493 419 G N 0.761 109.458 108.800 -0.172 0.000 2.142 419 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.225 419 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.225 419 G C 0.402 175.309 174.900 0.011 0.000 1.015 419 G CA 0.412 45.485 45.100 -0.045 0.000 0.716 419 G HN 0.593 nan 8.290 nan 0.000 0.508 420 I N -3.778 116.695 120.570 -0.163 0.000 4.102 420 I HA 0.696 4.866 4.170 -0.000 0.000 0.325 420 I C 1.548 177.501 176.117 -0.273 0.000 1.471 420 I CA 0.385 61.493 61.300 -0.320 0.000 1.133 420 I CB 0.488 37.981 38.000 -0.845 0.000 1.184 420 I HN 0.169 nan 8.210 nan 0.000 0.451 421 A N 1.707 124.475 122.820 -0.087 0.000 2.239 421 A HA -0.086 4.233 4.320 -0.000 0.000 0.209 421 A C 2.100 179.722 177.584 0.064 0.000 1.171 421 A CA 1.086 53.108 52.037 -0.024 0.000 0.768 421 A CB -1.084 17.909 19.000 -0.011 0.000 0.790 421 A HN 0.771 nan 8.150 nan 0.000 0.478 422 H N -1.461 117.659 119.070 0.084 0.000 2.502 422 H HA 0.090 4.645 4.556 -0.000 0.000 0.283 422 H C 0.931 176.375 175.328 0.194 0.000 1.015 422 H CA 1.204 57.326 56.048 0.123 0.000 1.298 422 H CB 0.035 29.859 29.762 0.103 0.000 1.411 422 H HN 0.472 nan 8.280 nan 0.000 0.556 423 E N 1.252 121.307 120.200 -0.242 0.000 2.206 423 E HA 0.127 4.477 4.350 -0.000 0.000 0.195 423 E C 1.291 177.987 176.600 0.160 0.000 0.935 423 E CA 0.804 57.223 56.400 0.031 0.000 0.875 423 E CB 0.965 30.694 29.700 0.048 0.000 0.841 423 E HN 0.400 nan 8.360 nan 0.000 0.477 424 V N -4.780 115.197 119.914 0.105 0.000 3.105 424 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 424 V C 0.822 176.979 176.094 0.106 0.000 1.287 424 V CA -0.185 62.209 62.300 0.156 0.000 1.066 424 V CB 1.265 33.215 31.823 0.211 0.000 1.105 424 V HN 0.308 nan 8.190 nan 0.000 0.462 425 G N 0.052 108.928 108.800 0.126 0.000 2.253 425 G HA2 0.056 4.016 3.960 -0.000 0.000 0.209 425 G HA3 0.056 4.016 3.960 -0.000 0.000 0.209 425 G C 0.239 175.235 174.900 0.160 0.000 0.997 425 G CA 0.673 45.836 45.100 0.105 0.000 0.640 425 G HN 2.375 nan 8.290 nan 0.000 0.496 426 S N -0.972 114.846 115.700 0.198 0.000 2.588 426 S HA 0.690 5.160 4.470 -0.000 0.000 0.269 426 S C -0.633 174.082 174.600 0.191 0.000 1.157 426 S CA -0.793 57.557 58.200 0.250 0.000 0.824 426 S CB 1.510 64.968 63.200 0.429 0.000 1.126 426 S HN 0.721 nan 8.310 nan 0.000 0.464 427 I N 1.721 122.388 120.570 0.162 0.000 2.243 427 I HA 0.340 4.509 4.170 -0.000 0.000 0.297 427 I C 0.066 176.254 176.117 0.119 0.000 1.161 427 I CA 0.232 61.605 61.300 0.121 0.000 1.298 427 I CB -0.333 37.720 38.000 0.089 0.000 1.475 427 I HN 0.590 nan 8.210 nan 0.000 0.561 428 E N 4.316 124.594 120.200 0.129 0.000 2.343 428 E HA 0.372 4.722 4.350 -0.000 0.000 0.270 428 E C -0.838 175.832 176.600 0.117 0.000 0.895 428 E CA -0.955 55.516 56.400 0.117 0.000 0.767 428 E CB 2.157 31.939 29.700 0.138 0.000 1.248 428 E HN 0.383 nan 8.360 nan 0.000 0.440 429 E N 0.030 120.286 120.200 0.093 0.000 2.414 429 E HA 0.203 4.553 4.350 -0.000 0.000 0.263 429 E C 0.651 177.327 176.600 0.127 0.000 1.000 429 E CA 0.876 57.333 56.400 0.094 0.000 0.914 429 E CB 0.503 30.237 29.700 0.057 0.000 0.948 429 E HN 0.825 nan 8.360 nan 0.000 0.444 430 G N 2.787 111.684 108.800 0.162 0.000 2.194 430 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.236 430 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.236 430 G C 0.075 175.178 174.900 0.337 0.000 0.987 430 G CA -0.120 45.089 45.100 0.182 0.000 0.635 430 G HN 0.409 nan 8.290 nan 0.000 0.520 431 K N -0.364 120.247 120.400 0.352 0.000 2.156 431 K HA 0.610 4.929 4.320 -0.000 0.000 0.250 431 K C -0.440 176.351 176.600 0.318 0.000 0.955 431 K CA -1.098 55.417 56.287 0.381 0.000 0.855 431 K CB 1.537 34.184 32.500 0.244 0.000 1.101 431 K HN -0.004 nan 8.250 nan 0.000 0.434 432 F N 1.708 121.604 119.950 -0.091 0.000 2.607 432 F HA 0.006 4.533 4.527 -0.000 0.000 0.374 432 F C 0.459 176.124 175.800 -0.226 0.000 1.104 432 F CA -0.422 57.246 58.000 -0.555 0.000 1.296 432 F CB 0.427 39.172 39.000 -0.425 0.000 1.085 432 F HN 0.589 nan 8.300 nan 0.000 0.584 433 A N 5.105 127.548 122.820 -0.629 0.000 3.037 433 A HA 0.185 4.504 4.320 -0.000 0.000 0.272 433 A C -0.581 176.776 177.584 -0.379 0.000 1.723 433 A CA -0.448 51.365 52.037 -0.372 0.000 1.413 433 A CB -1.138 17.686 19.000 -0.294 0.000 1.112 433 A HN 0.558 nan 8.150 nan 0.000 0.606 434 D N 1.661 121.948 120.400 -0.189 0.000 2.428 434 D HA 0.508 5.148 4.640 -0.000 0.000 0.221 434 D C -0.445 175.856 176.300 0.002 0.000 1.123 434 D CA 0.478 54.442 54.000 -0.060 0.000 0.869 434 D CB 0.967 41.820 40.800 0.088 0.000 1.032 434 D HN 0.395 nan 8.370 nan 0.000 0.506 435 L N 1.433 122.643 121.223 -0.023 0.000 2.401 435 L HA 0.550 4.890 4.340 -0.000 0.000 0.266 435 L C -0.584 176.274 176.870 -0.020 0.000 0.991 435 L CA -1.152 53.692 54.840 0.008 0.000 0.818 435 L CB 2.502 44.554 42.059 -0.012 0.000 1.321 435 L HN -0.078 nan 8.230 nan 0.000 0.413 436 V N 3.602 123.515 119.914 -0.002 0.000 2.409 436 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 436 V C -0.232 175.733 176.094 -0.214 0.000 1.020 436 V CA -0.548 61.641 62.300 -0.186 0.000 0.848 436 V CB 1.733 33.401 31.823 -0.258 0.000 0.990 436 V HN 0.397 nan 8.190 nan 0.000 0.430 437 L N 4.772 125.838 121.223 -0.261 0.000 2.334 437 L HA 0.551 4.891 4.340 -0.000 0.000 0.277 437 L C -0.742 175.974 176.870 -0.258 0.000 1.075 437 L CA 0.260 55.027 54.840 -0.122 0.000 0.804 437 L CB 1.010 43.038 42.059 -0.050 0.000 1.174 437 L HN 0.609 nan 8.230 nan 0.000 0.438 438 W N 1.358 122.726 121.300 0.112 0.000 2.883 438 W HA 0.509 5.169 4.660 -0.000 0.000 0.335 438 W C -0.275 176.334 176.519 0.150 0.000 1.083 438 W CA -0.624 56.805 57.345 0.140 0.000 1.233 438 W CB 0.926 30.522 29.460 0.228 0.000 1.412 438 W HN 0.385 nan 8.180 nan 0.000 0.490 439 E N 3.364 123.801 120.200 0.395 0.000 2.360 439 E HA 0.017 4.367 4.350 -0.000 0.000 0.269 439 E C -1.567 175.209 176.600 0.294 0.000 1.022 439 E CA -1.184 55.401 56.400 0.309 0.000 0.887 439 E CB 0.931 30.840 29.700 0.349 0.000 0.990 439 E HN 0.074 nan 8.360 nan 0.000 0.426 440 P HA -0.288 nan 4.420 nan 0.000 0.216 440 P C 1.178 178.482 177.300 0.007 0.000 1.154 440 P CA 1.706 64.831 63.100 0.042 0.000 0.865 440 P CB 0.090 31.760 31.700 -0.049 0.000 0.789 441 K N -1.399 118.974 120.400 -0.046 0.000 2.209 441 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 441 K C 0.812 177.311 176.600 -0.169 0.000 1.048 441 K CA 1.521 57.703 56.287 -0.175 0.000 0.940 441 K CB -0.754 31.544 32.500 -0.337 0.000 0.729 441 K HN 0.118 nan 8.250 nan 0.000 0.451 442 F N 0.657 120.686 119.950 0.131 0.000 2.668 442 F HA 0.276 4.803 4.527 -0.000 0.000 0.301 442 F C 0.072 175.869 175.800 -0.006 0.000 1.106 442 F CA -1.646 56.387 58.000 0.055 0.000 1.289 442 F CB -0.041 39.033 39.000 0.124 0.000 1.006 442 F HN -0.110 nan 8.300 nan 0.000 0.535 443 F N 1.306 121.224 119.950 -0.052 0.000 2.590 443 F HA 0.367 4.894 4.527 -0.000 0.000 0.389 443 F C 1.319 176.738 175.800 -0.634 0.000 1.049 443 F CA 0.877 58.653 58.000 -0.374 0.000 1.199 443 F CB 0.325 39.016 39.000 -0.516 0.000 1.058 443 F HN 0.319 nan 8.300 nan 0.000 0.556 444 G N 3.431 110.939 108.800 -2.153 0.000 2.184 444 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.264 444 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.264 444 G C 0.511 175.119 174.900 -0.487 0.000 0.975 444 G CA 0.422 44.642 45.100 -1.467 0.000 0.642 444 G HN 0.754 nan 8.290 nan 0.000 0.536 445 V N -0.815 118.961 119.914 -0.230 0.000 2.735 445 V HA 0.416 4.536 4.120 -0.000 0.000 0.234 445 V C 1.005 177.167 176.094 0.114 0.000 1.121 445 V CA 1.800 64.047 62.300 -0.087 0.000 1.160 445 V CB 0.315 31.870 31.823 -0.447 0.000 0.908 445 V HN 0.219 nan 8.190 nan 0.000 0.495 446 K N 0.534 121.037 120.400 0.172 0.000 2.613 446 K HA 0.679 4.998 4.320 -0.000 0.000 0.248 446 K C -0.647 175.988 176.600 0.058 0.000 0.959 446 K CA -0.120 56.205 56.287 0.063 0.000 0.855 446 K CB 1.920 34.294 32.500 -0.210 0.000 1.143 446 K HN 0.396 nan 8.250 nan 0.000 0.437 447 A N 2.073 124.785 122.820 -0.180 0.000 2.511 447 A HA -0.006 4.314 4.320 -0.000 0.000 0.242 447 A C 0.758 178.153 177.584 -0.315 0.000 1.069 447 A CA 0.128 51.775 52.037 -0.651 0.000 0.763 447 A CB 0.251 18.762 19.000 -0.814 0.000 1.001 447 A HN 0.928 nan 8.150 nan 0.000 0.498 448 D N 1.285 121.511 120.400 -0.290 0.000 2.087 448 D HA -0.024 4.616 4.640 -0.000 0.000 0.201 448 D C 0.558 176.763 176.300 -0.158 0.000 0.980 448 D CA 1.375 55.281 54.000 -0.156 0.000 0.849 448 D CB 0.144 40.904 40.800 -0.066 0.000 1.001 448 D HN 0.570 nan 8.370 nan 0.000 0.452 449 R N -0.636 119.756 120.500 -0.179 0.000 2.574 449 R HA 0.552 4.892 4.340 -0.000 0.000 0.288 449 R C -1.466 174.743 176.300 -0.150 0.000 1.004 449 R CA -0.803 55.220 56.100 -0.129 0.000 0.895 449 R CB 2.863 33.109 30.300 -0.089 0.000 1.191 449 R HN -0.082 nan 8.270 nan 0.000 0.444 450 V N 5.337 125.203 119.914 -0.080 0.000 2.328 450 V HA 0.384 4.504 4.120 -0.000 0.000 0.278 450 V C 0.114 176.185 176.094 -0.037 0.000 1.021 450 V CA -0.567 61.692 62.300 -0.069 0.000 0.838 450 V CB 1.230 33.038 31.823 -0.025 0.000 0.999 450 V HN 0.612 nan 8.190 nan 0.000 0.447 451 I N 5.927 126.462 120.570 -0.058 0.000 2.342 451 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 451 I C 0.146 176.214 176.117 -0.083 0.000 1.010 451 I CA -0.305 60.954 61.300 -0.068 0.000 1.308 451 I CB 0.924 38.874 38.000 -0.084 0.000 1.400 451 I HN 0.351 nan 8.210 nan 0.000 0.488 452 K N 4.724 125.070 120.400 -0.089 0.000 2.450 452 K HA 0.344 4.664 4.320 -0.000 0.000 0.257 452 K C 0.348 176.802 176.600 -0.243 0.000 0.953 452 K CA -0.492 55.736 56.287 -0.099 0.000 0.844 452 K CB 1.712 34.221 32.500 0.014 0.000 1.103 452 K HN 0.854 nan 8.250 nan 0.000 0.429 453 G N 1.731 110.114 108.800 -0.694 0.000 2.341 453 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.292 453 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.292 453 G C 0.809 175.402 174.900 -0.511 0.000 1.021 453 G CA 1.252 45.676 45.100 -1.127 0.000 0.905 453 G HN 1.099 nan 8.290 nan 0.000 0.508 454 G N -2.013 106.555 108.800 -0.386 0.000 2.179 454 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.260 454 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.260 454 G C 0.196 175.023 174.900 -0.123 0.000 0.977 454 G CA 0.559 45.536 45.100 -0.204 0.000 0.641 454 G HN 1.258 nan 8.290 nan 0.000 0.533 455 I N 0.894 121.399 120.570 -0.108 0.000 2.545 455 I HA 0.444 4.613 4.170 -0.000 0.000 0.292 455 I C 0.769 176.863 176.117 -0.039 0.000 1.040 455 I CA -1.540 59.728 61.300 -0.053 0.000 1.068 455 I CB 1.699 39.686 38.000 -0.021 0.000 1.251 455 I HN -0.010 nan 8.210 nan 0.000 0.424 456 I N 4.247 124.804 120.570 -0.022 0.000 2.668 456 I HA 0.030 4.200 4.170 -0.000 0.000 0.285 456 I C 1.236 177.358 176.117 0.009 0.000 1.168 456 I CA 0.441 61.732 61.300 -0.014 0.000 1.424 456 I CB 0.906 38.895 38.000 -0.017 0.000 1.377 456 I HN 0.779 nan 8.210 nan 0.000 0.560 457 A N 6.130 128.962 122.820 0.020 0.000 2.055 457 A HA 0.155 4.475 4.320 -0.000 0.000 0.205 457 A C 0.190 177.833 177.584 0.099 0.000 1.235 457 A CA 0.509 52.575 52.037 0.050 0.000 0.822 457 A CB 0.341 19.375 19.000 0.057 0.000 0.903 457 A HN 0.639 nan 8.150 nan 0.000 0.473 458 Y N -1.059 119.200 120.300 -0.069 0.000 2.470 458 Y HA 0.570 5.120 4.550 -0.000 0.000 0.341 458 Y C -0.752 175.088 175.900 -0.100 0.000 1.021 458 Y CA -0.640 57.411 58.100 -0.082 0.000 1.025 458 Y CB 1.735 40.148 38.460 -0.079 0.000 1.266 458 Y HN 0.312 nan 8.280 nan 0.000 0.448 459 A N 4.559 127.130 122.820 -0.416 0.000 2.520 459 A HA 0.509 4.829 4.320 -0.000 0.000 0.298 459 A C -1.728 175.641 177.584 -0.357 0.000 1.051 459 A CA -0.918 50.955 52.037 -0.273 0.000 0.690 459 A CB 1.767 20.661 19.000 -0.177 0.000 1.281 459 A HN 0.568 nan 8.150 nan 0.000 0.402 460 Q N 1.277 120.943 119.800 -0.224 0.000 2.324 460 Q HA 0.432 4.772 4.340 -0.000 0.000 0.257 460 Q C -0.907 174.998 176.000 -0.158 0.000 1.080 460 Q CA 0.632 56.317 55.803 -0.196 0.000 0.907 460 Q CB 0.860 29.483 28.738 -0.191 0.000 1.274 460 Q HN 0.661 nan 8.270 nan 0.000 0.434 461 I N 0.310 120.788 120.570 -0.153 0.000 3.004 461 I HA 0.596 4.766 4.170 -0.000 0.000 0.305 461 I C -0.211 175.852 176.117 -0.090 0.000 1.312 461 I CA -0.711 60.524 61.300 -0.108 0.000 0.992 461 I CB 2.176 40.110 38.000 -0.111 0.000 1.282 461 I HN 0.568 nan 8.210 nan 0.000 0.449 462 G N 1.806 110.569 108.800 -0.060 0.000 2.641 462 G HA2 0.168 4.128 3.960 -0.000 0.000 0.239 462 G HA3 0.168 4.128 3.960 -0.000 0.000 0.239 462 G C -0.854 174.021 174.900 -0.041 0.000 1.402 462 G CA -0.351 44.722 45.100 -0.046 0.000 1.046 462 G HN 0.610 nan 8.290 nan 0.000 0.565 463 D N 0.686 121.069 120.400 -0.028 0.000 2.570 463 D HA 0.015 4.654 4.640 -0.000 0.000 0.243 463 D C -0.880 175.407 176.300 -0.023 0.000 1.171 463 D CA -1.235 52.751 54.000 -0.023 0.000 0.879 463 D CB 1.265 42.056 40.800 -0.015 0.000 1.143 463 D HN -0.024 nan 8.370 nan 0.000 0.511 464 P HA -0.095 nan 4.420 nan 0.000 0.230 464 P C 0.812 178.106 177.300 -0.010 0.000 1.158 464 P CA 0.671 63.758 63.100 -0.021 0.000 0.769 464 P CB 0.101 31.783 31.700 -0.030 0.000 0.807 465 S N -1.991 113.703 115.700 -0.010 0.000 2.556 465 S HA 0.403 4.872 4.470 -0.000 0.000 0.216 465 S C 1.004 175.603 174.600 -0.003 0.000 0.970 465 S CA -0.304 57.893 58.200 -0.005 0.000 0.912 465 S CB -0.467 62.730 63.200 -0.006 0.000 0.790 465 S HN 0.123 nan 8.310 nan 0.000 0.504 466 A N 1.851 124.669 122.820 -0.004 0.000 2.287 466 A HA 0.629 4.949 4.320 -0.000 0.000 0.273 466 A C 1.511 179.096 177.584 0.001 0.000 1.091 466 A CA 0.057 52.092 52.037 -0.002 0.000 0.817 466 A CB 0.337 19.335 19.000 -0.004 0.000 1.069 466 A HN 0.638 nan 8.150 nan 0.000 0.492 467 S N -0.143 115.558 115.700 0.001 0.000 2.419 467 S HA 0.026 4.496 4.470 -0.000 0.000 0.233 467 S C 0.605 175.208 174.600 0.005 0.000 1.016 467 S CA 1.285 59.487 58.200 0.003 0.000 0.974 467 S CB -1.025 62.177 63.200 0.003 0.000 0.786 467 S HN 0.989 nan 8.310 nan 0.000 0.492 468 I N -4.091 116.481 120.570 0.004 0.000 3.102 468 I HA 0.494 4.664 4.170 -0.000 0.000 0.310 468 I C -2.825 173.293 176.117 0.001 0.000 1.246 468 I CA -2.793 58.511 61.300 0.006 0.000 0.979 468 I CB 1.748 39.752 38.000 0.007 0.000 1.267 468 I HN -0.356 nan 8.210 nan 0.000 0.451 469 P HA 0.067 nan 4.420 nan 0.000 0.255 469 P C 1.031 178.322 177.300 -0.014 0.000 1.248 469 P CA 0.606 63.701 63.100 -0.009 0.000 0.807 469 P CB 0.019 31.713 31.700 -0.009 0.000 1.150 470 T N -4.596 109.954 114.554 -0.007 0.000 3.054 470 T HA 0.174 4.524 4.350 -0.000 0.000 0.259 470 T C -1.497 173.200 174.700 -0.005 0.000 1.092 470 T CA -0.306 61.791 62.100 -0.005 0.000 1.121 470 T CB -2.036 66.835 68.868 0.004 0.000 0.912 470 T HN 0.107 nan 8.240 nan 0.000 0.489 471 P HA 0.200 nan 4.420 nan 0.000 0.269 471 P C 0.041 177.335 177.300 -0.009 0.000 1.215 471 P CA -0.207 62.890 63.100 -0.005 0.000 0.780 471 P CB 0.364 32.061 31.700 -0.004 0.000 0.898 472 Q N 2.200 121.996 119.800 -0.007 0.000 2.421 472 Q HA 0.215 4.555 4.340 -0.000 0.000 0.255 472 Q C -1.984 174.009 176.000 -0.011 0.000 1.013 472 Q CA -1.223 54.575 55.803 -0.009 0.000 0.895 472 Q CB -0.555 28.181 28.738 -0.004 0.000 1.271 472 Q HN 0.377 nan 8.270 nan 0.000 0.460 473 P HA 0.202 nan 4.420 nan 0.000 0.297 473 P C -0.699 176.584 177.300 -0.028 0.000 1.319 473 P CA -0.466 62.625 63.100 -0.015 0.000 0.810 473 P CB 0.903 32.598 31.700 -0.009 0.000 0.947 474 V N 5.644 125.540 119.914 -0.032 0.000 2.455 474 V HA 0.331 4.450 4.120 -0.000 0.000 0.273 474 V C 0.766 176.820 176.094 -0.067 0.000 1.045 474 V CA 0.323 62.590 62.300 -0.055 0.000 0.976 474 V CB -0.125 31.665 31.823 -0.055 0.000 0.993 474 V HN 0.642 nan 8.190 nan 0.000 0.475 475 M N 3.696 123.245 119.600 -0.086 0.000 2.622 475 M HA 0.794 5.273 4.480 -0.000 0.000 0.276 475 M C -0.034 176.182 176.300 -0.140 0.000 1.265 475 M CA -0.729 54.523 55.300 -0.080 0.000 0.850 475 M CB 2.092 34.665 32.600 -0.046 0.000 1.720 475 M HN 0.517 nan 8.290 nan 0.000 0.465 476 G N 1.689 110.422 108.800 -0.111 0.000 2.378 476 G HA2 0.603 4.563 3.960 -0.000 0.000 0.255 476 G HA3 0.603 4.563 3.960 -0.000 0.000 0.255 476 G C -0.868 173.744 174.900 -0.480 0.000 1.270 476 G CA -0.615 44.311 45.100 -0.290 0.000 0.876 476 G HN 0.717 nan 8.290 nan 0.000 0.521 477 R N 1.868 121.861 120.500 -0.845 0.000 2.673 477 R HA 0.339 4.679 4.340 -0.000 0.000 0.281 477 R C -0.308 175.609 176.300 -0.639 0.000 0.991 477 R CA -1.027 54.754 56.100 -0.532 0.000 0.896 477 R CB 2.518 32.631 30.300 -0.312 0.000 1.201 477 R HN 0.526 nan 8.270 nan 0.000 0.457 478 R N 1.997 122.337 120.500 -0.267 0.000 2.570 478 R HA 0.158 4.498 4.340 -0.000 0.000 0.277 478 R C 0.297 176.480 176.300 -0.195 0.000 1.039 478 R CA 0.258 56.293 56.100 -0.108 0.000 1.065 478 R CB 0.432 30.727 30.300 -0.008 0.000 0.964 478 R HN 0.262 nan 8.270 nan 0.000 0.428 479 M N 1.219 120.728 119.600 -0.151 0.000 2.799 479 M HA 0.159 4.639 4.480 -0.000 0.000 0.274 479 M C 1.021 177.207 176.300 -0.190 0.000 1.137 479 M CA -0.535 54.649 55.300 -0.194 0.000 0.897 479 M CB -0.070 32.478 32.600 -0.086 0.000 1.567 479 M HN 0.528 nan 8.290 nan 0.000 0.536 480 Y N 0.285 120.559 120.300 -0.043 0.000 2.421 480 Y HA -0.041 4.509 4.550 -0.000 0.000 0.292 480 Y C 2.181 178.060 175.900 -0.035 0.000 1.136 480 Y CA 1.564 59.642 58.100 -0.038 0.000 1.255 480 Y CB -0.886 37.550 38.460 -0.039 0.000 0.991 480 Y HN 0.848 nan 8.280 nan 0.000 0.552 481 G N -0.832 108.024 108.800 0.093 0.000 2.470 481 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 481 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 481 G C 1.668 176.581 174.900 0.021 0.000 1.121 481 G CA 1.579 46.707 45.100 0.047 0.000 0.766 481 G HN 0.464 nan 8.290 nan 0.000 0.553 482 T N -2.063 112.493 114.554 0.003 0.000 3.081 482 T HA 0.347 4.697 4.350 -0.000 0.000 0.250 482 T C 0.613 175.291 174.700 -0.036 0.000 1.100 482 T CA -0.178 61.916 62.100 -0.011 0.000 1.038 482 T CB 0.265 69.131 68.868 -0.004 0.000 0.962 482 T HN -0.073 nan 8.240 nan 0.000 0.516 483 V N 1.715 121.611 119.914 -0.031 0.000 2.539 483 V HA 0.666 4.786 4.120 -0.000 0.000 0.292 483 V C 1.546 177.616 176.094 -0.041 0.000 1.045 483 V CA 0.067 62.348 62.300 -0.033 0.000 0.945 483 V CB 0.363 32.180 31.823 -0.010 0.000 0.993 483 V HN 0.785 nan 8.190 nan 0.000 0.464 484 G N 4.211 112.977 108.800 -0.057 0.000 2.582 484 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.288 484 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.288 484 G C 0.376 175.164 174.900 -0.186 0.000 1.247 484 G CA 0.574 45.628 45.100 -0.076 0.000 0.972 484 G HN 0.685 nan 8.290 nan 0.000 0.557 485 D N 0.238 120.531 120.400 -0.179 0.000 2.349 485 D HA 0.113 4.753 4.640 -0.000 0.000 0.224 485 D C 2.374 178.511 176.300 -0.272 0.000 1.029 485 D CA 0.399 54.200 54.000 -0.332 0.000 0.879 485 D CB 0.146 40.905 40.800 -0.068 0.000 0.906 485 D HN 0.247 nan 8.370 nan 0.000 0.528 486 L N 0.911 122.052 121.223 -0.137 0.000 2.201 486 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 486 L C 1.884 178.721 176.870 -0.056 0.000 1.105 486 L CA 0.963 55.772 54.840 -0.053 0.000 0.775 486 L CB -0.478 41.578 42.059 -0.004 0.000 0.913 486 L HN 0.004 nan 8.230 nan 0.000 0.440 487 I N -0.974 119.518 120.570 -0.130 0.000 2.315 487 I HA -0.417 3.753 4.170 -0.000 0.000 0.251 487 I C 2.180 178.300 176.117 0.006 0.000 1.125 487 I CA 1.591 62.842 61.300 -0.081 0.000 1.392 487 I CB -0.105 37.828 38.000 -0.113 0.000 1.065 487 I HN 0.500 nan 8.210 nan 0.000 0.424 488 H N -0.473 118.608 119.070 0.017 0.000 2.357 488 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 488 H C 1.418 176.762 175.328 0.026 0.000 1.082 488 H CA 1.161 57.214 56.048 0.008 0.000 1.342 488 H CB 0.056 29.819 29.762 0.001 0.000 1.389 488 H HN 0.318 nan 8.280 nan 0.000 0.511 489 D N -0.351 120.143 120.400 0.156 0.000 2.323 489 D HA -0.065 4.574 4.640 -0.000 0.000 0.209 489 D C 1.829 178.240 176.300 0.185 0.000 0.973 489 D CA 1.206 55.292 54.000 0.143 0.000 0.874 489 D CB -0.001 40.866 40.800 0.112 0.000 0.930 489 D HN 0.489 nan 8.370 nan 0.000 0.521 490 T N -2.833 111.816 114.554 0.159 0.000 3.069 490 T HA 0.158 4.508 4.350 -0.000 0.000 0.252 490 T C 0.613 175.494 174.700 0.301 0.000 1.053 490 T CA -0.408 61.809 62.100 0.195 0.000 0.964 490 T CB 0.466 69.378 68.868 0.074 0.000 1.005 490 T HN -0.159 nan 8.240 nan 0.000 0.532 491 N N 0.872 119.697 118.700 0.209 0.000 2.229 491 N HA 0.559 5.299 4.740 -0.000 0.000 0.298 491 N C -1.423 174.054 175.510 -0.056 0.000 1.114 491 N CA -0.627 52.501 53.050 0.130 0.000 0.776 491 N CB 2.455 40.995 38.487 0.088 0.000 1.501 491 N HN 0.197 nan 8.380 nan 0.000 0.474 492 I N 0.799 121.252 120.570 -0.194 0.000 2.404 492 I HA 0.234 4.404 4.170 -0.000 0.000 0.293 492 I C 0.091 175.966 176.117 -0.404 0.000 0.992 492 I CA -0.476 60.543 61.300 -0.468 0.000 1.149 492 I CB 1.821 39.274 38.000 -0.912 0.000 1.315 492 I HN 0.205 nan 8.210 nan 0.000 0.446 493 T N 6.311 120.651 114.554 -0.357 0.000 2.762 493 T HA 0.395 4.744 4.350 -0.000 0.000 0.303 493 T C -0.315 174.205 174.700 -0.299 0.000 0.977 493 T CA -0.214 61.737 62.100 -0.248 0.000 0.961 493 T CB -0.202 68.568 68.868 -0.164 0.000 0.944 493 T HN 0.093 nan 8.240 nan 0.000 0.481 494 F N 4.078 124.012 119.950 -0.027 0.000 2.438 494 F HA 0.487 5.014 4.527 -0.000 0.000 0.356 494 F C 0.702 176.520 175.800 0.030 0.000 1.099 494 F CA -0.432 57.603 58.000 0.060 0.000 1.185 494 F CB 0.470 39.622 39.000 0.253 0.000 1.115 494 F HN 0.294 nan 8.300 nan 0.000 0.526 495 M N 1.584 121.311 119.600 0.211 0.000 2.658 495 M HA 0.371 4.851 4.480 -0.000 0.000 0.295 495 M C -0.174 176.211 176.300 0.143 0.000 1.248 495 M CA -1.083 54.291 55.300 0.123 0.000 0.843 495 M CB 2.409 35.032 32.600 0.039 0.000 1.749 495 M HN 0.535 nan 8.290 nan 0.000 0.464 496 S N 0.200 115.959 115.700 0.099 0.000 2.576 496 S HA 0.181 4.650 4.470 -0.000 0.000 0.272 496 S C 0.600 175.238 174.600 0.063 0.000 1.352 496 S CA -0.311 57.940 58.200 0.084 0.000 1.021 496 S CB 0.834 64.067 63.200 0.055 0.000 0.887 496 S HN 0.760 nan 8.310 nan 0.000 0.542 497 K N 1.030 121.462 120.400 0.054 0.000 2.057 497 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 497 K C 2.619 179.232 176.600 0.021 0.000 1.049 497 K CA 1.630 57.938 56.287 0.035 0.000 0.931 497 K CB -0.457 32.058 32.500 0.025 0.000 0.714 497 K HN 0.841 nan 8.250 nan 0.000 0.440 498 S N 0.841 116.552 115.700 0.018 0.000 2.383 498 S HA -0.157 4.313 4.470 -0.000 0.000 0.227 498 S C 2.179 176.783 174.600 0.006 0.000 1.026 498 S CA 1.465 59.671 58.200 0.009 0.000 0.981 498 S CB -0.423 62.782 63.200 0.007 0.000 0.818 498 S HN 0.342 nan 8.310 nan 0.000 0.472 499 S N 2.300 118.005 115.700 0.009 0.000 2.383 499 S HA 0.015 4.485 4.470 -0.000 0.000 0.227 499 S C 1.873 176.471 174.600 -0.003 0.000 1.026 499 S CA 0.946 59.146 58.200 0.000 0.000 0.981 499 S CB -0.890 62.310 63.200 -0.000 0.000 0.818 499 S HN 0.554 nan 8.310 nan 0.000 0.472 500 I N 1.612 122.185 120.570 0.004 0.000 2.202 500 I HA -0.170 4.000 4.170 -0.000 0.000 0.242 500 I C 3.059 179.175 176.117 -0.002 0.000 1.091 500 I CA 1.693 62.994 61.300 0.000 0.000 1.368 500 I CB -0.429 37.579 38.000 0.012 0.000 1.058 500 I HN 0.422 nan 8.210 nan 0.000 0.410 501 Q N 0.752 120.553 119.800 0.001 0.000 2.226 501 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 501 Q C 1.797 177.795 176.000 -0.004 0.000 0.975 501 Q CA 1.315 57.117 55.803 -0.002 0.000 0.866 501 Q CB 0.114 28.851 28.738 -0.000 0.000 0.915 501 Q HN 0.546 nan 8.270 nan 0.000 0.440 502 Q N -1.123 118.674 119.800 -0.005 0.000 2.365 502 Q HA 0.135 4.475 4.340 -0.000 0.000 0.203 502 Q C 0.402 176.395 176.000 -0.011 0.000 0.929 502 Q CA 0.333 56.132 55.803 -0.007 0.000 0.948 502 Q CB 0.664 29.398 28.738 -0.006 0.000 1.043 502 Q HN 0.560 nan 8.270 nan 0.000 0.505 503 G N 0.445 109.237 108.800 -0.013 0.000 2.198 503 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.257 503 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.257 503 G C 0.717 175.602 174.900 -0.024 0.000 1.042 503 G CA 0.300 45.389 45.100 -0.018 0.000 0.791 503 G HN 0.292 nan 8.290 nan 0.000 0.502 504 V N 0.477 120.376 119.914 -0.026 0.000 2.332 504 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 504 V C 0.993 177.059 176.094 -0.047 0.000 1.055 504 V CA 2.700 64.980 62.300 -0.035 0.000 1.038 504 V CB -0.998 30.804 31.823 -0.034 0.000 0.651 504 V HN 0.444 nan 8.190 nan 0.000 0.450 505 P HA -0.189 nan 4.420 nan 0.000 0.215 505 P C 1.719 178.982 177.300 -0.062 0.000 1.157 505 P CA 2.232 65.293 63.100 -0.064 0.000 0.874 505 P CB -0.171 31.492 31.700 -0.062 0.000 0.790 506 A N -0.109 122.682 122.820 -0.048 0.000 1.898 506 A HA -0.219 4.100 4.320 -0.000 0.000 0.216 506 A C 2.295 179.854 177.584 -0.042 0.000 1.181 506 A CA 1.877 53.888 52.037 -0.043 0.000 0.620 506 A CB -1.262 17.719 19.000 -0.032 0.000 0.819 506 A HN 0.125 nan 8.150 nan 0.000 0.442 507 K N -0.184 120.193 120.400 -0.038 0.000 2.063 507 K HA -0.103 4.216 4.320 -0.000 0.000 0.208 507 K C 1.479 178.052 176.600 -0.045 0.000 1.048 507 K CA 1.708 57.974 56.287 -0.035 0.000 0.928 507 K CB -0.289 32.194 32.500 -0.030 0.000 0.713 507 K HN 0.489 nan 8.250 nan 0.000 0.442 508 L N -0.372 120.816 121.223 -0.059 0.000 2.592 508 L HA 0.173 4.513 4.340 -0.000 0.000 0.227 508 L C 0.984 177.806 176.870 -0.080 0.000 1.127 508 L CA 0.368 55.163 54.840 -0.075 0.000 0.884 508 L CB 0.193 42.197 42.059 -0.093 0.000 1.065 508 L HN 0.578 nan 8.230 nan 0.000 0.457 509 G N 1.178 109.933 108.800 -0.075 0.000 2.160 509 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 509 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 509 G C 0.138 174.967 174.900 -0.120 0.000 1.022 509 G CA -0.264 44.785 45.100 -0.084 0.000 0.741 509 G HN 0.244 nan 8.290 nan 0.000 0.508 510 L N -0.317 120.831 121.223 -0.124 0.000 2.410 510 L HA 0.298 4.637 4.340 -0.000 0.000 0.273 510 L C 1.459 178.212 176.870 -0.195 0.000 1.144 510 L CA -0.348 54.396 54.840 -0.160 0.000 0.863 510 L CB 0.601 42.579 42.059 -0.135 0.000 1.140 510 L HN -0.057 nan 8.230 nan 0.000 0.463 511 K N 2.668 122.874 120.400 -0.322 0.000 2.354 511 K HA 0.191 4.511 4.320 -0.000 0.000 0.194 511 K C 0.634 177.089 176.600 -0.242 0.000 1.038 511 K CA 0.118 56.184 56.287 -0.369 0.000 1.052 511 K CB 0.263 32.300 32.500 -0.772 0.000 0.861 511 K HN 0.515 nan 8.250 nan 0.000 0.535 512 R N 1.546 121.928 120.500 -0.197 0.000 2.734 512 R HA 0.107 4.446 4.340 -0.000 0.000 0.266 512 R C 0.189 176.436 176.300 -0.089 0.000 1.044 512 R CA -0.047 56.010 56.100 -0.073 0.000 1.128 512 R CB 0.447 30.702 30.300 -0.075 0.000 1.010 512 R HN 0.024 nan 8.270 nan 0.000 0.461 513 R N 1.768 122.219 120.500 -0.081 0.000 2.585 513 R HA 0.010 4.350 4.340 -0.000 0.000 0.275 513 R C -0.048 176.131 176.300 -0.202 0.000 1.018 513 R CA 0.179 56.202 56.100 -0.129 0.000 1.072 513 R CB 0.197 30.387 30.300 -0.184 0.000 0.953 513 R HN 0.318 nan 8.270 nan 0.000 0.419 514 I N 2.248 122.721 120.570 -0.162 0.000 2.321 514 I HA 0.238 4.408 4.170 -0.000 0.000 0.291 514 I C 0.933 176.940 176.117 -0.184 0.000 0.998 514 I CA -0.170 61.029 61.300 -0.168 0.000 1.227 514 I CB 1.070 39.015 38.000 -0.091 0.000 1.368 514 I HN 0.672 nan 8.210 nan 0.000 0.466 515 G N 4.295 112.919 108.800 -0.293 0.000 2.400 515 G HA2 0.536 4.496 3.960 -0.000 0.000 0.333 515 G HA3 0.536 4.496 3.960 -0.000 0.000 0.333 515 G C -0.539 174.452 174.900 0.151 0.000 1.143 515 G CA -0.257 44.739 45.100 -0.173 0.000 0.914 515 G HN 0.496 nan 8.290 nan 0.000 0.480 516 T N 1.391 116.127 114.554 0.303 0.000 2.744 516 T HA 0.307 4.657 4.350 -0.000 0.000 0.291 516 T C 0.417 175.361 174.700 0.406 0.000 0.957 516 T CA -0.222 62.052 62.100 0.289 0.000 1.002 516 T CB 1.411 70.382 68.868 0.171 0.000 0.919 516 T HN 0.271 nan 8.240 nan 0.000 0.468 517 V N 6.188 126.292 119.914 0.317 0.000 2.508 517 V HA 0.360 4.480 4.120 -0.000 0.000 0.281 517 V C 0.392 176.577 176.094 0.151 0.000 1.041 517 V CA 0.142 62.596 62.300 0.257 0.000 1.016 517 V CB -0.079 31.878 31.823 0.223 0.000 0.984 517 V HN 0.899 nan 8.190 nan 0.000 0.478 518 K N 2.732 123.204 120.400 0.120 0.000 2.578 518 K HA 0.492 4.812 4.320 -0.000 0.000 0.287 518 K C -0.358 176.249 176.600 0.011 0.000 1.010 518 K CA -1.045 55.256 56.287 0.024 0.000 0.889 518 K CB 1.218 33.681 32.500 -0.062 0.000 1.514 518 K HN 0.404 nan 8.250 nan 0.000 0.424 519 N N -0.176 118.517 118.700 -0.012 0.000 2.727 519 N HA -0.202 4.537 4.740 -0.000 0.000 0.251 519 N C -0.069 175.432 175.510 -0.015 0.000 1.040 519 N CA 0.594 53.634 53.050 -0.016 0.000 0.712 519 N CB -1.821 36.654 38.487 -0.019 0.000 0.912 519 N HN 0.732 nan 8.380 nan 0.000 0.545 520 C N -2.478 116.812 119.300 -0.017 0.000 3.385 520 C HA 0.370 4.830 4.460 -0.000 0.000 0.288 520 C C 1.624 176.597 174.990 -0.028 0.000 1.429 520 C CA -0.795 58.206 59.018 -0.029 0.000 1.778 520 C CB 0.048 27.767 27.740 -0.036 0.000 2.503 520 C HN 0.384 nan 8.230 nan 0.000 0.646 521 R N 2.596 123.083 120.500 -0.022 0.000 2.308 521 R HA 0.118 4.458 4.340 -0.000 0.000 0.202 521 R C 0.767 177.054 176.300 -0.022 0.000 0.898 521 R CA 0.491 56.578 56.100 -0.021 0.000 1.046 521 R CB -0.485 29.805 30.300 -0.017 0.000 1.026 521 R HN 0.783 nan 8.270 nan 0.000 0.512 522 N N 1.255 119.941 118.700 -0.023 0.000 2.389 522 N HA 0.073 4.813 4.740 -0.000 0.000 0.260 522 N C 0.288 175.781 175.510 -0.028 0.000 1.191 522 N CA -0.260 52.776 53.050 -0.023 0.000 0.885 522 N CB 0.001 38.476 38.487 -0.020 0.000 1.162 522 N HN 0.222 nan 8.380 nan 0.000 0.512 523 I N -4.093 116.457 120.570 -0.034 0.000 2.982 523 I HA 0.963 5.133 4.170 -0.000 0.000 0.312 523 I C 0.140 176.232 176.117 -0.042 0.000 1.041 523 I CA -1.194 60.081 61.300 -0.042 0.000 1.053 523 I CB 2.089 40.057 38.000 -0.054 0.000 1.248 523 I HN -0.057 nan 8.210 nan 0.000 0.471 524 G N 1.573 110.345 108.800 -0.047 0.000 2.749 524 G HA2 0.293 4.253 3.960 -0.000 0.000 0.300 524 G HA3 0.293 4.253 3.960 -0.000 0.000 0.300 524 G C -0.243 174.626 174.900 -0.053 0.000 1.352 524 G CA -0.511 44.564 45.100 -0.041 0.000 0.789 524 G HN 0.707 nan 8.290 nan 0.000 0.509 525 K N 0.536 120.911 120.400 -0.042 0.000 2.113 525 K HA -0.135 4.185 4.320 -0.000 0.000 0.208 525 K C 2.335 178.901 176.600 -0.056 0.000 1.047 525 K CA 2.454 58.712 56.287 -0.049 0.000 0.928 525 K CB -0.163 32.318 32.500 -0.031 0.000 0.716 525 K HN 0.517 nan 8.250 nan 0.000 0.446 526 K N -0.436 119.934 120.400 -0.050 0.000 2.280 526 K HA -0.134 4.186 4.320 -0.000 0.000 0.202 526 K C 0.432 176.987 176.600 -0.075 0.000 1.047 526 K CA 1.610 57.864 56.287 -0.056 0.000 0.942 526 K CB -0.043 32.429 32.500 -0.046 0.000 0.739 526 K HN 0.143 nan 8.250 nan 0.000 0.457 527 D N 0.690 121.042 120.400 -0.080 0.000 2.340 527 D HA 0.041 4.680 4.640 -0.000 0.000 0.220 527 D C 0.162 176.385 176.300 -0.128 0.000 1.039 527 D CA 0.367 54.308 54.000 -0.099 0.000 0.866 527 D CB 0.200 40.949 40.800 -0.086 0.000 0.913 527 D HN 0.206 nan 8.370 nan 0.000 0.523 528 M N 1.798 121.327 119.600 -0.119 0.000 2.193 528 M HA 0.084 4.564 4.480 -0.000 0.000 0.342 528 M C 0.222 176.442 176.300 -0.134 0.000 1.413 528 M CA -0.229 54.994 55.300 -0.128 0.000 1.191 528 M CB 0.634 33.171 32.600 -0.105 0.000 1.633 528 M HN -0.396 nan 8.290 nan 0.000 0.458 529 K N 3.136 123.425 120.400 -0.186 0.000 2.453 529 K HA -0.118 4.202 4.320 -0.000 0.000 0.280 529 K C 0.095 176.688 176.600 -0.012 0.000 1.045 529 K CA 0.433 56.587 56.287 -0.222 0.000 1.059 529 K CB -0.154 32.144 32.500 -0.337 0.000 0.901 529 K HN 0.781 nan 8.250 nan 0.000 0.475 530 W N 0.748 122.010 121.300 -0.063 0.000 3.207 530 W HA -0.270 4.390 4.660 -0.000 0.000 0.291 530 W C 0.163 176.625 176.519 -0.094 0.000 1.105 530 W CA 0.318 57.610 57.345 -0.088 0.000 0.612 530 W CB -1.699 27.653 29.460 -0.179 0.000 2.140 530 W HN 0.621 nan 8.180 nan 0.000 1.420 531 N N 0.515 119.257 118.700 0.070 0.000 2.636 531 N HA 0.037 4.777 4.740 -0.000 0.000 0.287 531 N C -0.133 175.362 175.510 -0.026 0.000 1.817 531 N CA 0.508 53.562 53.050 0.007 0.000 0.842 531 N CB 0.393 38.855 38.487 -0.042 0.000 1.353 531 N HN 0.259 nan 8.380 nan 0.000 0.500 532 D N -0.923 119.471 120.400 -0.010 0.000 2.538 532 D HA 0.068 4.708 4.640 -0.000 0.000 0.231 532 D C 0.183 176.472 176.300 -0.019 0.000 1.229 532 D CA -0.171 53.810 54.000 -0.031 0.000 0.828 532 D CB 0.159 40.931 40.800 -0.048 0.000 1.035 532 D HN -0.153 nan 8.370 nan 0.000 0.495 533 V N 1.679 121.588 119.914 -0.009 0.000 2.488 533 V HA 0.377 4.497 4.120 -0.000 0.000 0.277 533 V C 0.764 176.844 176.094 -0.023 0.000 1.046 533 V CA -0.139 62.157 62.300 -0.006 0.000 0.986 533 V CB 0.923 32.751 31.823 0.009 0.000 0.989 533 V HN 0.426 nan 8.190 nan 0.000 0.475 534 T N 1.254 115.791 114.554 -0.028 0.000 2.855 534 T HA 0.753 5.103 4.350 -0.000 0.000 0.281 534 T C -0.331 174.337 174.700 -0.054 0.000 1.007 534 T CA -0.621 61.452 62.100 -0.046 0.000 1.009 534 T CB 1.888 70.725 68.868 -0.051 0.000 0.983 534 T HN 0.755 nan 8.240 nan 0.000 0.455 535 T N 0.610 115.119 114.554 -0.076 0.000 2.775 535 T HA 0.329 4.679 4.350 -0.000 0.000 0.320 535 T C -2.007 172.633 174.700 -0.100 0.000 1.597 535 T CA -0.705 61.353 62.100 -0.070 0.000 1.022 535 T CB 1.538 70.383 68.868 -0.039 0.000 1.485 535 T HN 0.616 nan 8.240 nan 0.000 0.494 536 D N 2.650 123.001 120.400 -0.082 0.000 2.352 536 D HA 0.355 4.995 4.640 -0.000 0.000 0.245 536 D C 0.006 176.279 176.300 -0.046 0.000 1.224 536 D CA 0.145 54.096 54.000 -0.083 0.000 0.879 536 D CB 0.296 41.059 40.800 -0.063 0.000 1.057 536 D HN 0.423 nan 8.370 nan 0.000 0.491 537 I N 1.853 122.402 120.570 -0.036 0.000 2.312 537 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 537 I C 0.370 176.488 176.117 0.002 0.000 1.031 537 I CA -0.518 60.777 61.300 -0.009 0.000 1.293 537 I CB 0.934 38.936 38.000 0.004 0.000 1.403 537 I HN 0.113 nan 8.210 nan 0.000 0.484 538 D N 7.582 127.982 120.400 0.001 0.000 2.329 538 D HA 0.490 5.130 4.640 -0.000 0.000 0.232 538 D C -0.710 175.597 176.300 0.011 0.000 1.088 538 D CA -0.271 53.731 54.000 0.003 0.000 0.835 538 D CB 0.965 41.764 40.800 -0.001 0.000 1.078 538 D HN 0.313 nan 8.370 nan 0.000 0.495 539 I N 3.706 124.285 120.570 0.015 0.000 2.354 539 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 539 I C 0.253 176.393 176.117 0.039 0.000 1.007 539 I CA -0.932 60.386 61.300 0.030 0.000 1.167 539 I CB 1.243 39.259 38.000 0.027 0.000 1.320 539 I HN 0.397 nan 8.210 nan 0.000 0.458 540 N N 9.130 127.860 118.700 0.051 0.000 2.468 540 N HA 0.077 4.817 4.740 -0.000 0.000 0.265 540 N C -1.630 173.934 175.510 0.091 0.000 1.199 540 N CA -1.165 51.909 53.050 0.040 0.000 0.928 540 N CB 1.480 39.978 38.487 0.018 0.000 1.059 540 N HN 0.321 nan 8.380 nan 0.000 0.467 541 P HA -0.083 nan 4.420 nan 0.000 0.219 541 P C 0.763 178.126 177.300 0.104 0.000 1.150 541 P CA 1.135 64.285 63.100 0.084 0.000 0.814 541 P CB 0.517 32.209 31.700 -0.013 0.000 0.787 542 E N -0.077 120.116 120.200 -0.010 0.000 2.099 542 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 542 E C 1.517 177.941 176.600 -0.294 0.000 0.962 542 E CA 1.359 57.691 56.400 -0.114 0.000 0.826 542 E CB 0.093 29.745 29.700 -0.080 0.000 0.788 542 E HN 0.181 nan 8.360 nan 0.000 0.461 543 T N -2.696 111.736 114.554 -0.202 0.000 3.040 543 T HA 0.023 4.373 4.350 -0.000 0.000 0.250 543 T C 0.067 174.593 174.700 -0.290 0.000 1.058 543 T CA 0.068 61.984 62.100 -0.307 0.000 0.988 543 T CB -0.036 68.752 68.868 -0.133 0.000 0.993 543 T HN 0.253 nan 8.240 nan 0.000 0.519 544 Y N 0.191 120.480 120.300 -0.017 0.000 4.841 544 Y HA -0.178 4.372 4.550 -0.000 0.000 0.242 544 Y C 0.236 176.121 175.900 -0.025 0.000 1.002 544 Y CA -0.482 57.604 58.100 -0.022 0.000 2.011 544 Y CB -2.937 35.507 38.460 -0.026 0.000 1.554 544 Y HN 0.496 nan 8.280 nan 0.000 0.618 545 E N 0.558 120.811 120.200 0.088 0.000 2.415 545 E HA 0.337 4.687 4.350 -0.000 0.000 0.263 545 E C -0.031 176.595 176.600 0.043 0.000 0.995 545 E CA -0.050 56.379 56.400 0.047 0.000 0.915 545 E CB 0.983 30.694 29.700 0.018 0.000 0.951 545 E HN 0.052 nan 8.360 nan 0.000 0.449 546 V N 4.670 124.602 119.914 0.030 0.000 2.427 546 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 546 V C 0.044 176.147 176.094 0.015 0.000 1.034 546 V CA -0.440 61.872 62.300 0.020 0.000 0.893 546 V CB 1.236 33.066 31.823 0.011 0.000 0.982 546 V HN 0.565 nan 8.190 nan 0.000 0.452 547 K N 3.399 123.806 120.400 0.011 0.000 2.316 547 K HA 0.812 5.131 4.320 -0.000 0.000 0.251 547 K C -1.592 175.010 176.600 0.004 0.000 0.934 547 K CA -0.758 55.533 56.287 0.008 0.000 0.802 547 K CB 2.735 35.238 32.500 0.006 0.000 1.171 547 K HN 0.406 nan 8.250 nan 0.000 0.426 548 V N 2.661 122.578 119.914 0.005 0.000 2.577 548 V HA 0.122 4.242 4.120 -0.000 0.000 0.303 548 V C -0.661 175.434 176.094 0.001 0.000 1.042 548 V CA -0.657 61.643 62.300 0.000 0.000 0.872 548 V CB 1.619 33.443 31.823 0.002 0.000 0.998 548 V HN 0.884 nan 8.190 nan 0.000 0.423 549 D N 4.086 124.483 120.400 -0.004 0.000 2.751 549 D HA -0.192 4.448 4.640 -0.000 0.000 0.233 549 D C 1.336 177.636 176.300 0.000 0.000 1.149 549 D CA 1.910 55.908 54.000 -0.003 0.000 0.682 549 D CB -1.104 39.697 40.800 0.001 0.000 1.068 549 D HN 1.468 nan 8.370 nan 0.000 0.429 550 G N -0.507 108.293 108.800 -0.001 0.000 2.212 550 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.266 550 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.266 550 G C 0.027 174.930 174.900 0.005 0.000 0.978 550 G CA 0.752 45.853 45.100 0.001 0.000 0.632 550 G HN 0.614 nan 8.290 nan 0.000 0.537 551 E N 0.260 120.464 120.200 0.008 0.000 2.179 551 E HA 0.644 4.994 4.350 -0.000 0.000 0.275 551 E C 0.012 176.620 176.600 0.014 0.000 0.945 551 E CA -1.193 55.214 56.400 0.012 0.000 0.792 551 E CB 2.612 32.321 29.700 0.015 0.000 1.125 551 E HN 0.119 nan 8.360 nan 0.000 0.397 552 V N 3.699 123.623 119.914 0.016 0.000 2.585 552 V HA 0.006 4.125 4.120 -0.000 0.000 0.296 552 V C 0.160 176.269 176.094 0.025 0.000 1.035 552 V CA -0.115 62.197 62.300 0.019 0.000 1.084 552 V CB 0.142 31.977 31.823 0.019 0.000 0.953 552 V HN 0.600 nan 8.190 nan 0.000 0.483 553 L N 5.286 126.524 121.223 0.025 0.000 2.272 553 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 553 L C 0.133 177.024 176.870 0.035 0.000 1.045 553 L CA 0.260 55.119 54.840 0.031 0.000 0.842 553 L CB 1.060 43.135 42.059 0.027 0.000 1.224 553 L HN 0.760 nan 8.230 nan 0.000 0.430 554 T N 2.382 116.965 114.554 0.049 0.000 2.903 554 T HA 0.737 5.087 4.350 -0.000 0.000 0.299 554 T C -0.736 174.017 174.700 0.089 0.000 1.093 554 T CA -0.413 61.725 62.100 0.063 0.000 1.002 554 T CB 1.430 70.334 68.868 0.061 0.000 1.127 554 T HN 0.775 nan 8.240 nan 0.000 0.488 555 C N 2.068 121.447 119.300 0.131 0.000 3.321 555 C HA 0.837 5.297 4.460 -0.000 0.000 0.329 555 C C -0.840 174.284 174.990 0.223 0.000 1.394 555 C CA -1.047 58.062 59.018 0.151 0.000 1.291 555 C CB 1.240 29.072 27.740 0.153 0.000 1.606 555 C HN 0.782 nan 8.230 nan 0.000 0.463 556 E N 2.039 122.330 120.200 0.152 0.000 2.319 556 E HA 0.518 4.868 4.350 -0.000 0.000 0.268 556 E C -2.472 174.107 176.600 -0.036 0.000 1.050 556 E CA -1.637 54.813 56.400 0.085 0.000 0.878 556 E CB 0.976 30.688 29.700 0.020 0.000 1.066 556 E HN 0.591 nan 8.360 nan 0.000 0.406 557 P HA 0.034 nan 4.420 nan 0.000 0.275 557 P C -0.135 176.964 177.300 -0.334 0.000 1.227 557 P CA -0.244 62.357 63.100 -0.832 0.000 0.781 557 P CB 0.722 31.632 31.700 -1.316 0.000 0.906 558 V N 0.661 120.445 119.914 -0.216 0.000 2.837 558 V HA 0.395 4.515 4.120 -0.000 0.000 0.310 558 V C 1.268 177.303 176.094 -0.098 0.000 1.059 558 V CA -0.496 61.740 62.300 -0.106 0.000 1.004 558 V CB 1.514 33.311 31.823 -0.043 0.000 1.045 558 V HN 0.394 nan 8.190 nan 0.000 0.465 559 K N 0.199 120.562 120.400 -0.061 0.000 2.323 559 K HA 0.255 4.574 4.320 -0.000 0.000 0.197 559 K C 0.517 177.105 176.600 -0.021 0.000 1.043 559 K CA 0.573 56.834 56.287 -0.044 0.000 0.997 559 K CB 0.465 32.945 32.500 -0.033 0.000 0.807 559 K HN 0.876 nan 8.250 nan 0.000 0.497 560 E N 0.536 120.730 120.200 -0.011 0.000 2.340 560 E HA 0.396 4.746 4.350 -0.000 0.000 0.273 560 E C -1.516 175.095 176.600 0.018 0.000 0.891 560 E CA -0.502 55.903 56.400 0.008 0.000 0.757 560 E CB 1.562 31.269 29.700 0.012 0.000 1.231 560 E HN -0.064 nan 8.360 nan 0.000 0.439 561 L N 3.505 124.750 121.223 0.036 0.000 2.354 561 L HA 0.601 4.941 4.340 -0.000 0.000 0.264 561 L C -2.135 174.780 176.870 0.076 0.000 1.008 561 L CA -1.998 52.871 54.840 0.050 0.000 0.819 561 L CB 2.006 44.096 42.059 0.052 0.000 1.339 561 L HN 0.525 nan 8.230 nan 0.000 0.420 562 P HA 0.239 nan 4.420 nan 0.000 0.279 562 P C -0.164 177.233 177.300 0.162 0.000 1.282 562 P CA -0.398 62.770 63.100 0.114 0.000 0.788 562 P CB 0.637 32.384 31.700 0.078 0.000 1.139 563 M N -2.707 117.037 119.600 0.240 0.000 2.461 563 M HA -0.252 4.228 4.480 -0.000 0.000 0.203 563 M C 0.274 176.783 176.300 0.348 0.000 0.428 563 M CA 0.928 56.323 55.300 0.158 0.000 0.509 563 M CB -2.150 30.460 32.600 0.017 0.000 1.851 563 M HN 0.600 nan 8.290 nan 0.000 0.834 564 A N -0.473 122.620 122.820 0.457 0.000 2.364 564 A HA 0.321 4.641 4.320 -0.000 0.000 0.193 564 A C 0.929 178.790 177.584 0.462 0.000 1.530 564 A CA 0.122 52.426 52.037 0.445 0.000 1.613 564 A CB 0.148 19.280 19.000 0.220 0.000 1.767 564 A HN 0.440 nan 8.150 nan 0.000 0.657 565 Q N -0.102 119.847 119.800 0.249 0.000 2.436 565 Q HA -0.004 4.335 4.340 -0.000 0.000 0.209 565 Q C 1.863 177.904 176.000 0.069 0.000 0.965 565 Q CA 0.793 56.695 55.803 0.164 0.000 0.910 565 Q CB 0.028 28.817 28.738 0.085 0.000 0.980 565 Q HN 0.529 nan 8.270 nan 0.000 0.491 566 R N -0.429 120.074 120.500 0.005 0.000 2.189 566 R HA -0.122 4.218 4.340 -0.000 0.000 0.218 566 R C 0.813 176.876 176.300 -0.394 0.000 1.074 566 R CA 1.166 57.115 56.100 -0.252 0.000 0.991 566 R CB 0.258 30.298 30.300 -0.434 0.000 0.883 566 R HN 0.283 nan 8.270 nan 0.000 0.457 567 Y N -2.104 118.162 120.300 -0.056 0.000 2.559 567 Y HA 0.210 4.760 4.550 -0.000 0.000 0.279 567 Y C 0.140 175.859 175.900 -0.302 0.000 1.117 567 Y CA -0.290 57.680 58.100 -0.216 0.000 1.263 567 Y CB 0.358 38.539 38.460 -0.465 0.000 1.230 567 Y HN -0.179 nan 8.280 nan 0.000 0.528 568 F N 0.206 120.273 119.950 0.195 0.000 2.404 568 F HA 0.239 4.766 4.527 -0.000 0.000 0.339 568 F C 0.868 176.684 175.800 0.026 0.000 1.105 568 F CA -0.773 57.302 58.000 0.125 0.000 1.087 568 F CB 1.332 40.406 39.000 0.122 0.000 1.143 568 F HN -0.161 nan 8.300 nan 0.000 0.491 569 L N 2.347 123.678 121.223 0.179 0.000 2.240 569 L HA 0.192 4.531 4.340 -0.000 0.000 0.211 569 L C -0.496 176.135 176.870 -0.398 0.000 1.106 569 L CA 1.624 56.400 54.840 -0.106 0.000 0.793 569 L CB -0.396 41.616 42.059 -0.079 0.000 0.927 569 L HN 0.412 nan 8.230 nan 0.000 0.446 570 F N 0.000 120.042 119.950 0.153 0.000 2.286 570 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 570 F CA 0.000 58.052 58.000 0.087 0.000 1.383 570 F CB 0.000 39.031 39.000 0.052 0.000 1.145 570 F HN 0.000 nan 8.300 nan 0.000 0.574