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 1ie7_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 VCHHLKNNIP 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 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.617 32.600 0.029 0.000 1.302 2 K N 3.705 124.114 120.400 0.015 0.000 2.328 2 K HA 0.788 5.107 4.320 -0.000 0.000 0.246 2 K C -1.226 175.387 176.600 0.021 0.000 0.955 2 K CA -0.800 55.490 56.287 0.005 0.000 0.817 2 K CB 2.747 35.240 32.500 -0.011 0.000 1.208 2 K HN 0.559 nan 8.250 nan 0.000 0.432 3 I N 2.475 123.062 120.570 0.028 0.000 2.404 3 I HA 0.153 4.323 4.170 -0.000 0.000 0.293 3 I C 0.076 176.221 176.117 0.047 0.000 0.992 3 I CA -1.103 60.241 61.300 0.072 0.000 1.149 3 I CB 1.464 39.573 38.000 0.182 0.000 1.315 3 I HN 0.669 nan 8.210 nan 0.000 0.446 4 N N 6.042 124.769 118.700 0.044 0.000 2.444 4 N HA 0.138 4.878 4.740 -0.000 0.000 0.255 4 N C 0.522 176.066 175.510 0.056 0.000 1.255 4 N CA -0.083 52.982 53.050 0.025 0.000 0.933 4 N CB 0.871 39.367 38.487 0.015 0.000 1.143 4 N HN 0.504 nan 8.380 nan 0.000 0.453 5 R N -0.223 120.293 120.500 0.028 0.000 2.148 5 R HA -0.132 4.208 4.340 -0.000 0.000 0.227 5 R C 1.573 177.932 176.300 0.099 0.000 1.103 5 R CA 1.078 57.210 56.100 0.053 0.000 0.983 5 R CB -0.122 30.176 30.300 -0.003 0.000 0.874 5 R HN 0.660 nan 8.270 nan 0.000 0.451 6 Q N 0.870 120.708 119.800 0.063 0.000 2.084 6 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 6 Q C 2.004 178.039 176.000 0.058 0.000 0.978 6 Q CA 1.767 57.603 55.803 0.055 0.000 0.844 6 Q CB -0.048 28.708 28.738 0.030 0.000 0.898 6 Q HN 0.114 nan 8.270 nan 0.000 0.426 7 Q N -1.181 118.652 119.800 0.056 0.000 2.119 7 Q HA -0.171 4.169 4.340 -0.000 0.000 0.201 7 Q C 1.745 177.766 176.000 0.035 0.000 0.972 7 Q CA 1.634 57.453 55.803 0.027 0.000 0.847 7 Q CB -0.654 28.099 28.738 0.025 0.000 0.903 7 Q HN 0.599 nan 8.270 nan 0.000 0.433 8 Y N 0.066 120.381 120.300 0.026 0.000 2.114 8 Y HA -0.161 4.389 4.550 -0.000 0.000 0.284 8 Y C 2.091 178.050 175.900 0.099 0.000 1.143 8 Y CA 2.215 60.383 58.100 0.114 0.000 1.135 8 Y CB -0.686 37.832 38.460 0.096 0.000 0.980 8 Y HN 0.189 nan 8.280 nan 0.000 0.499 9 A N 0.022 123.009 122.820 0.278 0.000 1.930 9 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 9 A C 2.049 179.650 177.584 0.028 0.000 1.175 9 A CA 1.724 53.876 52.037 0.191 0.000 0.627 9 A CB -0.734 18.369 19.000 0.171 0.000 0.815 9 A HN 0.648 nan 8.150 nan 0.000 0.443 10 E N -0.111 120.078 120.200 -0.018 0.000 2.058 10 E HA -0.152 4.197 4.350 -0.000 0.000 0.194 10 E C 2.309 178.800 176.600 -0.181 0.000 0.997 10 E CA 1.663 58.018 56.400 -0.074 0.000 0.801 10 E CB -0.128 29.537 29.700 -0.059 0.000 0.746 10 E HN 0.607 nan 8.360 nan 0.000 0.450 11 S N -0.501 114.983 115.700 -0.361 0.000 2.377 11 S HA -0.068 4.402 4.470 -0.000 0.000 0.223 11 S C 1.112 175.268 174.600 -0.740 0.000 1.030 11 S CA 0.930 58.729 58.200 -0.668 0.000 0.970 11 S CB 0.009 62.488 63.200 -1.202 0.000 0.830 11 S HN 0.288 nan 8.310 nan 0.000 0.473 12 Y N 0.683 120.836 120.300 -0.246 0.000 2.527 12 Y HA 0.462 5.012 4.550 -0.000 0.000 0.247 12 Y C 1.152 177.022 175.900 -0.050 0.000 1.138 12 Y CA -0.174 57.799 58.100 -0.212 0.000 1.228 12 Y CB 0.207 38.370 38.460 -0.495 0.000 1.252 12 Y HN 0.294 nan 8.280 nan 0.000 0.531 13 G N 1.352 110.200 108.800 0.081 0.000 2.730 13 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.686 13 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.686 13 G C -2.956 172.082 174.900 0.231 0.000 1.343 13 G CA -1.196 43.983 45.100 0.131 0.000 0.826 13 G HN -0.067 nan 8.290 nan 0.000 0.582 14 P HA 0.456 nan 4.420 nan 0.000 0.272 14 P C 0.149 177.606 177.300 0.261 0.000 1.240 14 P CA 0.351 63.581 63.100 0.217 0.000 0.791 14 P CB 1.515 33.295 31.700 0.134 0.000 0.978 15 T N -0.775 113.906 114.554 0.212 0.000 2.804 15 T HA 0.301 4.651 4.350 -0.000 0.000 0.290 15 T C -0.618 174.143 174.700 0.101 0.000 1.099 15 T CA -0.760 61.445 62.100 0.176 0.000 1.011 15 T CB 0.678 69.630 68.868 0.141 0.000 1.291 15 T HN 0.097 nan 8.240 nan 0.000 0.523 16 V N 2.470 122.442 119.914 0.097 0.000 2.678 16 V HA 0.297 4.417 4.120 -0.000 0.000 0.304 16 V C 1.931 178.049 176.094 0.041 0.000 1.086 16 V CA 1.661 64.001 62.300 0.066 0.000 1.246 16 V CB -0.288 31.567 31.823 0.053 0.000 0.861 16 V HN 1.367 nan 8.190 nan 0.000 0.491 17 G N 3.578 112.401 108.800 0.039 0.000 2.299 17 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.237 17 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.237 17 G C -0.009 174.905 174.900 0.023 0.000 1.027 17 G CA 0.093 45.206 45.100 0.022 0.000 0.619 17 G HN 0.693 nan 8.290 nan 0.000 0.513 18 D N 1.808 122.232 120.400 0.040 0.000 2.399 18 D HA 0.502 5.142 4.640 -0.000 0.000 0.241 18 D C 0.644 176.984 176.300 0.067 0.000 1.133 18 D CA 0.497 54.527 54.000 0.050 0.000 0.890 18 D CB 0.814 41.661 40.800 0.077 0.000 1.201 18 D HN 0.600 nan 8.370 nan 0.000 0.432 19 E N -0.157 120.095 120.200 0.085 0.000 2.244 19 E HA 0.599 4.949 4.350 -0.000 0.000 0.266 19 E C -0.987 175.767 176.600 0.256 0.000 0.914 19 E CA -1.021 55.477 56.400 0.163 0.000 0.794 19 E CB 2.299 32.088 29.700 0.148 0.000 1.210 19 E HN 0.051 nan 8.360 nan 0.000 0.414 20 V N 1.737 121.797 119.914 0.244 0.000 2.638 20 V HA 0.363 4.483 4.120 -0.000 0.000 0.306 20 V C -0.243 175.774 176.094 -0.129 0.000 1.052 20 V CA -0.926 61.429 62.300 0.093 0.000 0.885 20 V CB 1.787 33.582 31.823 -0.047 0.000 0.999 20 V HN 0.584 nan 8.190 nan 0.000 0.424 21 R N 3.653 123.875 120.500 -0.463 0.000 2.438 21 R HA 0.480 4.820 4.340 -0.000 0.000 0.287 21 R C -0.864 175.096 176.300 -0.568 0.000 1.077 21 R CA -0.521 55.006 56.100 -0.955 0.000 1.034 21 R CB 0.585 30.189 30.300 -1.160 0.000 0.993 21 R HN 0.713 nan 8.270 nan 0.000 0.459 22 L N 6.103 126.983 121.223 -0.572 0.000 2.342 22 L HA 0.235 4.575 4.340 -0.000 0.000 0.285 22 L C 1.156 177.860 176.870 -0.277 0.000 1.095 22 L CA 0.205 54.757 54.840 -0.480 0.000 0.843 22 L CB 0.509 42.201 42.059 -0.611 0.000 1.201 22 L HN 1.094 nan 8.230 nan 0.000 0.445 23 A N 4.043 126.761 122.820 -0.169 0.000 5.584 23 A HA -0.324 3.996 4.320 -0.000 0.000 0.303 23 A C 0.886 178.421 177.584 -0.083 0.000 1.923 23 A CA 1.445 53.433 52.037 -0.082 0.000 0.717 23 A CB -1.092 17.846 19.000 -0.104 0.000 1.281 23 A HN 0.971 nan 8.150 nan 0.000 0.379 24 D N 0.032 120.443 120.400 0.018 0.000 2.427 24 D HA 0.315 4.955 4.640 -0.000 0.000 0.224 24 D C 0.780 177.054 176.300 -0.042 0.000 1.157 24 D CA 1.074 55.069 54.000 -0.008 0.000 0.828 24 D CB -1.130 39.706 40.800 0.060 0.000 0.974 24 D HN 1.105 nan 8.370 nan 0.000 0.498 25 T N -2.706 111.792 114.554 -0.093 0.000 2.732 25 T HA 0.162 4.512 4.350 -0.000 0.000 0.287 25 T C 0.518 175.122 174.700 -0.160 0.000 0.993 25 T CA -0.416 61.630 62.100 -0.091 0.000 0.966 25 T CB 1.084 69.901 68.868 -0.085 0.000 1.047 25 T HN -0.286 nan 8.240 nan 0.000 0.527 26 D N -0.118 120.225 120.400 -0.096 0.000 2.328 26 D HA 0.257 4.896 4.640 -0.000 0.000 0.221 26 D C 0.048 176.288 176.300 -0.100 0.000 1.072 26 D CA 0.110 54.076 54.000 -0.057 0.000 0.850 26 D CB -0.341 40.491 40.800 0.054 0.000 0.922 26 D HN 0.426 nan 8.370 nan 0.000 0.516 27 L N 0.232 121.324 121.223 -0.217 0.000 2.305 27 L HA 0.355 4.694 4.340 -0.000 0.000 0.281 27 L C -0.537 176.118 176.870 -0.359 0.000 1.085 27 L CA -0.590 54.160 54.840 -0.150 0.000 0.813 27 L CB 0.856 42.850 42.059 -0.109 0.000 1.157 27 L HN -0.117 nan 8.230 nan 0.000 0.436 28 W N 4.769 126.024 121.300 -0.075 0.000 2.656 28 W HA 0.611 5.270 4.660 -0.000 0.000 0.327 28 W C -0.226 176.234 176.519 -0.098 0.000 1.041 28 W CA -0.518 56.773 57.345 -0.090 0.000 1.229 28 W CB 1.468 30.896 29.460 -0.053 0.000 1.397 28 W HN 0.242 nan 8.180 nan 0.000 0.479 29 I N -0.301 120.303 120.570 0.058 0.000 2.460 29 I HA 0.640 4.810 4.170 -0.000 0.000 0.298 29 I C -0.493 175.656 176.117 0.055 0.000 0.989 29 I CA -1.011 60.290 61.300 0.002 0.000 1.173 29 I CB 2.083 40.001 38.000 -0.137 0.000 1.338 29 I HN 0.419 nan 8.210 nan 0.000 0.456 30 E N 4.629 124.860 120.200 0.052 0.000 2.187 30 E HA 0.426 4.776 4.350 -0.000 0.000 0.268 30 E C -1.226 175.408 176.600 0.057 0.000 0.896 30 E CA -0.939 55.496 56.400 0.059 0.000 0.766 30 E CB 2.243 31.976 29.700 0.055 0.000 1.142 30 E HN 0.629 nan 8.360 nan 0.000 0.408 31 V N 5.028 124.981 119.914 0.065 0.000 2.493 31 V HA -0.049 4.071 4.120 -0.000 0.000 0.292 31 V C 0.879 177.028 176.094 0.090 0.000 1.016 31 V CA 0.771 63.122 62.300 0.085 0.000 1.097 31 V CB 0.747 32.627 31.823 0.095 0.000 0.947 31 V HN 0.860 nan 8.190 nan 0.000 0.479 32 E N 3.653 123.924 120.200 0.118 0.000 2.190 32 E HA 0.071 4.421 4.350 -0.000 0.000 0.191 32 E C 0.511 177.149 176.600 0.063 0.000 0.978 32 E CA 0.498 56.954 56.400 0.093 0.000 0.839 32 E CB 0.353 30.119 29.700 0.111 0.000 0.787 32 E HN 0.823 nan 8.360 nan 0.000 0.473 33 K N -0.232 120.223 120.400 0.091 0.000 2.607 33 K HA 0.390 4.710 4.320 -0.000 0.000 0.287 33 K C -1.893 174.736 176.600 0.048 0.000 0.996 33 K CA -0.916 55.369 56.287 -0.004 0.000 0.876 33 K CB 1.918 34.341 32.500 -0.129 0.000 1.496 33 K HN -0.237 nan 8.250 nan 0.000 0.415 34 D N 0.562 120.921 120.400 -0.068 0.000 2.936 34 D HA 0.261 4.901 4.640 -0.000 0.000 0.238 34 D C -0.849 175.378 176.300 -0.121 0.000 1.248 34 D CA -0.481 53.531 54.000 0.019 0.000 0.903 34 D CB 1.158 41.981 40.800 0.038 0.000 1.544 34 D HN 0.610 nan 8.370 nan 0.000 0.543 35 Y N 1.339 121.663 120.300 0.040 0.000 2.529 35 Y HA 0.080 4.630 4.550 -0.000 0.000 0.290 35 Y C 1.705 177.580 175.900 -0.041 0.000 1.177 35 Y CA 0.348 58.450 58.100 0.003 0.000 1.305 35 Y CB 0.465 38.957 38.460 0.053 0.000 1.047 35 Y HN 0.269 nan 8.280 nan 0.000 0.522 36 T N -0.195 114.381 114.554 0.037 0.000 2.726 36 T HA 0.135 4.485 4.350 -0.000 0.000 0.294 36 T C 0.196 174.798 174.700 -0.163 0.000 1.013 36 T CA -0.025 62.058 62.100 -0.028 0.000 0.996 36 T CB 0.517 69.388 68.868 0.005 0.000 1.016 36 T HN -0.030 nan 8.240 nan 0.000 0.529 37 T N 3.342 117.829 114.554 -0.111 0.000 2.842 37 T HA 0.347 4.697 4.350 -0.000 0.000 0.308 37 T C -1.072 173.603 174.700 -0.041 0.000 1.041 37 T CA -0.279 61.748 62.100 -0.120 0.000 0.964 37 T CB -0.149 68.695 68.868 -0.039 0.000 0.972 37 T HN 0.431 nan 8.240 nan 0.000 0.460 38 Y N 2.105 122.404 120.300 -0.002 0.000 2.802 38 Y HA 0.306 4.856 4.550 -0.000 0.000 0.333 38 Y C 1.674 177.572 175.900 -0.003 0.000 1.244 38 Y CA 1.088 59.189 58.100 0.001 0.000 1.558 38 Y CB -0.225 38.226 38.460 -0.016 0.000 1.233 38 Y HN 0.989 nan 8.280 nan 0.000 0.547 39 G N 2.533 111.418 108.800 0.142 0.000 2.254 39 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.225 39 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.225 39 G C 0.581 175.499 174.900 0.029 0.000 1.003 39 G CA 0.169 45.309 45.100 0.067 0.000 0.622 39 G HN 0.546 nan 8.290 nan 0.000 0.507 40 D N 1.344 121.758 120.400 0.023 0.000 2.501 40 D HA 0.328 4.968 4.640 -0.000 0.000 0.226 40 D C 0.612 176.914 176.300 0.003 0.000 1.198 40 D CA -0.069 53.942 54.000 0.018 0.000 0.830 40 D CB 0.374 41.189 40.800 0.025 0.000 1.014 40 D HN 0.520 nan 8.370 nan 0.000 0.496 41 E N 0.144 120.313 120.200 -0.052 0.000 2.481 41 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 41 E C 0.116 176.729 176.600 0.022 0.000 0.992 41 E CA 0.156 56.518 56.400 -0.063 0.000 0.938 41 E CB 0.943 30.460 29.700 -0.305 0.000 0.933 41 E HN -0.099 nan 8.360 nan 0.000 0.453 42 V N 3.471 123.424 119.914 0.064 0.000 2.567 42 V HA 0.448 4.567 4.120 -0.000 0.000 0.289 42 V C 0.208 176.383 176.094 0.134 0.000 1.049 42 V CA -0.769 61.587 62.300 0.094 0.000 0.969 42 V CB 0.807 32.684 31.823 0.090 0.000 0.995 42 V HN 0.788 nan 8.190 nan 0.000 0.471 43 N N 2.377 121.166 118.700 0.147 0.000 2.710 43 N HA 0.509 5.248 4.740 -0.000 0.000 0.257 43 N C -1.608 174.020 175.510 0.196 0.000 1.327 43 N CA -0.586 52.565 53.050 0.168 0.000 0.861 43 N CB 2.860 41.441 38.487 0.156 0.000 1.532 43 N HN 0.600 nan 8.380 nan 0.000 0.499 44 F N -0.138 119.835 119.950 0.039 0.000 2.563 44 F HA 0.799 5.326 4.527 -0.000 0.000 0.316 44 F C 0.056 175.867 175.800 0.019 0.000 1.076 44 F CA 0.541 58.557 58.000 0.027 0.000 0.921 44 F CB 1.848 40.862 39.000 0.023 0.000 1.209 44 F HN 0.958 nan 8.300 nan 0.000 0.462 45 G N 1.912 110.007 108.800 -1.175 0.000 2.369 45 G HA2 0.356 4.315 3.960 -0.000 0.000 0.295 45 G HA3 0.356 4.315 3.960 -0.000 0.000 0.295 45 G C -0.776 173.828 174.900 -0.493 0.000 1.298 45 G CA -0.473 44.164 45.100 -0.772 0.000 0.940 45 G HN 1.180 nan 8.290 nan 0.000 0.536 46 G N -0.626 108.003 108.800 -0.285 0.000 2.298 46 G HA2 0.551 4.510 3.960 -0.000 0.000 0.263 46 G HA3 0.551 4.510 3.960 -0.000 0.000 0.263 46 G C 1.446 176.267 174.900 -0.133 0.000 1.229 46 G CA 1.793 46.785 45.100 -0.179 0.000 0.976 46 G HN 2.462 nan 8.290 nan 0.000 0.459 47 G N 1.657 110.391 108.800 -0.111 0.000 2.153 47 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 47 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 47 G C 0.651 175.514 174.900 -0.062 0.000 0.994 47 G CA 0.813 45.871 45.100 -0.070 0.000 0.698 47 G HN 0.768 nan 8.290 nan 0.000 0.521 48 K N -1.005 119.337 120.400 -0.097 0.000 2.520 48 K HA 0.593 4.912 4.320 -0.000 0.000 0.256 48 K C 1.631 178.217 176.600 -0.023 0.000 1.033 48 K CA -0.256 55.996 56.287 -0.058 0.000 1.007 48 K CB 0.832 33.277 32.500 -0.090 0.000 1.330 48 K HN -0.033 nan 8.250 nan 0.000 0.507 49 V N 0.742 120.670 119.914 0.022 0.000 2.591 49 V HA -0.077 4.043 4.120 -0.000 0.000 0.249 49 V C 1.154 177.286 176.094 0.063 0.000 1.053 49 V CA 1.159 63.487 62.300 0.047 0.000 1.068 49 V CB -0.199 31.664 31.823 0.067 0.000 0.689 49 V HN 0.393 nan 8.190 nan 0.000 0.462 50 L N 2.262 123.543 121.223 0.097 0.000 2.397 50 L HA 0.385 4.724 4.340 -0.000 0.000 0.263 50 L C 0.123 177.076 176.870 0.139 0.000 1.136 50 L CA 0.247 55.171 54.840 0.141 0.000 1.019 50 L CB -0.187 42.004 42.059 0.221 0.000 1.352 50 L HN 0.230 nan 8.230 nan 0.000 0.420 51 R N 1.036 121.583 120.500 0.078 0.000 2.744 51 R HA 0.268 4.608 4.340 -0.000 0.000 0.279 51 R C -0.392 175.936 176.300 0.045 0.000 0.977 51 R CA -0.984 55.149 56.100 0.054 0.000 0.906 51 R CB 2.465 32.773 30.300 0.015 0.000 1.197 51 R HN 0.242 nan 8.270 nan 0.000 0.463 52 E N 1.051 121.274 120.200 0.040 0.000 2.558 52 E HA -0.080 4.270 4.350 -0.000 0.000 0.255 52 E C 0.575 177.184 176.600 0.015 0.000 0.968 52 E CA 1.701 58.117 56.400 0.027 0.000 0.939 52 E CB 0.558 30.270 29.700 0.021 0.000 0.921 52 E HN 0.823 nan 8.360 nan 0.000 0.477 53 G N 3.576 112.382 108.800 0.010 0.000 2.199 53 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 53 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 53 G C 0.605 175.512 174.900 0.012 0.000 0.982 53 G CA 0.808 45.910 45.100 0.004 0.000 0.632 53 G HN 0.528 nan 8.290 nan 0.000 0.529 54 M N -1.316 118.297 119.600 0.022 0.000 2.319 54 M HA 0.525 5.005 4.480 -0.000 0.000 0.215 54 M C 2.296 178.620 176.300 0.039 0.000 1.410 54 M CA 0.519 55.835 55.300 0.027 0.000 1.874 54 M CB -0.392 32.223 32.600 0.025 0.000 1.141 54 M HN 0.115 nan 8.290 nan 0.000 0.907 55 G N 0.351 109.179 108.800 0.048 0.000 2.598 55 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.215 55 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.215 55 G C 0.290 175.230 174.900 0.068 0.000 1.131 55 G CA 0.200 45.335 45.100 0.059 0.000 0.785 55 G HN 0.557 nan 8.290 nan 0.000 0.539 56 E N 0.909 121.149 120.200 0.066 0.000 2.156 56 E HA 0.167 4.517 4.350 -0.000 0.000 0.279 56 E C -0.689 175.942 176.600 0.051 0.000 0.965 56 E CA -0.886 55.554 56.400 0.067 0.000 0.789 56 E CB 0.534 30.281 29.700 0.077 0.000 1.098 56 E HN 0.086 nan 8.360 nan 0.000 0.397 57 N N 3.232 121.968 118.700 0.059 0.000 2.458 57 N HA 0.101 4.841 4.740 -0.000 0.000 0.270 57 N C 0.074 175.590 175.510 0.009 0.000 1.102 57 N CA 0.145 53.218 53.050 0.039 0.000 0.967 57 N CB 1.459 40.012 38.487 0.110 0.000 1.078 57 N HN 0.687 nan 8.380 nan 0.000 0.471 58 G N 1.986 110.764 108.800 -0.037 0.000 3.337 58 G HA2 0.022 3.982 3.960 -0.000 0.000 0.246 58 G HA3 0.022 3.982 3.960 -0.000 0.000 0.246 58 G C 0.763 175.610 174.900 -0.089 0.000 1.131 58 G CA 0.039 45.115 45.100 -0.040 0.000 0.773 58 G HN 0.607 nan 8.290 nan 0.000 0.544 59 T N -0.342 114.097 114.554 -0.192 0.000 3.046 59 T HA 0.168 4.518 4.350 -0.000 0.000 0.242 59 T C 0.207 174.754 174.700 -0.254 0.000 1.018 59 T CA 0.202 62.114 62.100 -0.313 0.000 1.131 59 T CB 0.074 68.556 68.868 -0.643 0.000 0.904 59 T HN 0.130 nan 8.240 nan 0.000 0.459 60 Y N 3.500 123.807 120.300 0.012 0.000 2.335 60 Y HA 0.361 4.911 4.550 -0.000 0.000 0.331 60 Y C 1.436 177.342 175.900 0.011 0.000 1.094 60 Y CA -1.467 56.640 58.100 0.011 0.000 1.253 60 Y CB -0.086 38.382 38.460 0.012 0.000 1.203 60 Y HN 0.099 nan 8.280 nan 0.000 0.508 61 T N -0.479 114.196 114.554 0.201 0.000 2.748 61 T HA 0.122 4.471 4.350 -0.000 0.000 0.304 61 T C 1.428 176.184 174.700 0.094 0.000 1.041 61 T CA -0.635 61.531 62.100 0.109 0.000 1.033 61 T CB 0.819 69.734 68.868 0.080 0.000 0.995 61 T HN 0.806 nan 8.240 nan 0.000 0.536 62 R N 0.123 120.658 120.500 0.058 0.000 2.081 62 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 62 R C 2.434 178.751 176.300 0.029 0.000 1.131 62 R CA 2.028 58.153 56.100 0.042 0.000 0.960 62 R CB -1.152 29.166 30.300 0.030 0.000 0.856 62 R HN 0.925 nan 8.270 nan 0.000 0.436 63 T N -1.277 113.292 114.554 0.024 0.000 3.007 63 T HA -0.075 4.274 4.350 -0.000 0.000 0.270 63 T C 0.376 175.067 174.700 -0.015 0.000 1.107 63 T CA 0.837 62.941 62.100 0.007 0.000 1.118 63 T CB -0.174 68.698 68.868 0.007 0.000 0.889 63 T HN 0.430 nan 8.240 nan 0.000 0.506 64 E N 2.523 122.712 120.200 -0.018 0.000 1.979 64 E HA 0.239 4.589 4.350 -0.000 0.000 0.285 64 E C -0.143 176.353 176.600 -0.173 0.000 1.188 64 E CA -0.531 55.804 56.400 -0.107 0.000 1.214 64 E CB -0.299 29.318 29.700 -0.138 0.000 1.210 64 E HN 0.259 nan 8.360 nan 0.000 0.477 65 N N -0.042 118.590 118.700 -0.113 0.000 2.753 65 N HA -0.156 4.584 4.740 -0.000 0.000 0.251 65 N C -0.533 174.948 175.510 -0.047 0.000 1.097 65 N CA 0.603 53.595 53.050 -0.097 0.000 0.786 65 N CB -1.053 37.335 38.487 -0.165 0.000 1.137 65 N HN 0.187 nan 8.380 nan 0.000 0.566 66 V N 1.420 121.327 119.914 -0.012 0.000 2.567 66 V HA 0.374 4.494 4.120 -0.000 0.000 0.289 66 V C 1.095 177.200 176.094 0.018 0.000 1.049 66 V CA -0.560 61.756 62.300 0.026 0.000 0.969 66 V CB 1.885 33.743 31.823 0.058 0.000 0.995 66 V HN 0.065 nan 8.190 nan 0.000 0.471 67 L N 2.617 123.852 121.223 0.020 0.000 2.399 67 L HA 0.383 4.723 4.340 -0.000 0.000 0.266 67 L C 0.987 177.863 176.870 0.009 0.000 1.114 67 L CA -0.488 54.360 54.840 0.013 0.000 0.804 67 L CB 0.785 42.850 42.059 0.011 0.000 1.146 67 L HN 0.624 nan 8.230 nan 0.000 0.451 68 D N 0.940 121.343 120.400 0.005 0.000 2.249 68 D HA 0.099 4.738 4.640 -0.000 0.000 0.205 68 D C -0.106 176.181 176.300 -0.022 0.000 0.962 68 D CA 1.016 55.012 54.000 -0.006 0.000 0.860 68 D CB 0.547 41.344 40.800 -0.004 0.000 0.955 68 D HN 0.096 nan 8.370 nan 0.000 0.505 69 L N 0.330 121.540 121.223 -0.022 0.000 2.526 69 L HA 0.406 4.746 4.340 -0.000 0.000 0.263 69 L C -2.155 174.700 176.870 -0.025 0.000 0.943 69 L CA -0.888 53.930 54.840 -0.037 0.000 0.859 69 L CB 2.075 44.106 42.059 -0.046 0.000 1.313 69 L HN -0.248 nan 8.230 nan 0.000 0.406 70 L N 4.893 126.099 121.223 -0.028 0.000 2.333 70 L HA 0.682 5.022 4.340 -0.000 0.000 0.280 70 L C -1.487 175.376 176.870 -0.012 0.000 1.004 70 L CA -0.268 54.566 54.840 -0.010 0.000 0.820 70 L CB 1.581 43.644 42.059 0.006 0.000 1.247 70 L HN 0.636 nan 8.230 nan 0.000 0.416 71 L N 4.601 125.823 121.223 -0.001 0.000 2.255 71 L HA 0.467 4.807 4.340 -0.000 0.000 0.289 71 L C 0.457 177.345 176.870 0.030 0.000 1.046 71 L CA -0.008 54.837 54.840 0.007 0.000 0.816 71 L CB 1.208 43.271 42.059 0.006 0.000 1.197 71 L HN 0.757 nan 8.230 nan 0.000 0.427 72 T N -0.155 114.427 114.554 0.045 0.000 2.897 72 T HA 0.269 4.618 4.350 -0.000 0.000 0.294 72 T C 0.628 175.378 174.700 0.083 0.000 1.004 72 T CA -0.683 61.460 62.100 0.072 0.000 1.106 72 T CB 0.551 69.476 68.868 0.095 0.000 0.949 72 T HN 0.587 nan 8.240 nan 0.000 0.520 73 N N -0.243 118.516 118.700 0.100 0.000 2.740 73 N HA -0.156 4.584 4.740 -0.000 0.000 0.248 73 N C 0.027 175.596 175.510 0.098 0.000 1.062 73 N CA 0.830 53.953 53.050 0.122 0.000 0.704 73 N CB -1.641 36.937 38.487 0.150 0.000 0.968 73 N HN 1.130 nan 8.380 nan 0.000 0.547 74 A N 0.274 123.135 122.820 0.068 0.000 2.401 74 A HA 0.443 4.763 4.320 -0.000 0.000 0.259 74 A C 0.581 178.173 177.584 0.012 0.000 1.103 74 A CA -0.419 51.642 52.037 0.039 0.000 0.789 74 A CB 0.570 19.577 19.000 0.012 0.000 1.035 74 A HN 0.318 nan 8.150 nan 0.000 0.491 75 L N 4.632 125.861 121.223 0.010 0.000 2.302 75 L HA 0.423 4.763 4.340 -0.000 0.000 0.285 75 L C -0.400 176.417 176.870 -0.089 0.000 1.090 75 L CA -0.075 54.745 54.840 -0.033 0.000 0.866 75 L CB -0.437 41.618 42.059 -0.007 0.000 1.244 75 L HN 0.550 nan 8.230 nan 0.000 0.435 76 I N 5.366 125.795 120.570 -0.236 0.000 2.441 76 I HA 0.153 4.323 4.170 -0.000 0.000 0.287 76 I C -0.423 175.573 176.117 -0.201 0.000 1.049 76 I CA -0.275 60.857 61.300 -0.280 0.000 1.381 76 I CB 1.168 38.797 38.000 -0.619 0.000 1.409 76 I HN 0.490 nan 8.210 nan 0.000 0.523 77 L N 7.374 128.563 121.223 -0.057 0.000 2.342 77 L HA 0.624 4.964 4.340 -0.000 0.000 0.276 77 L C -1.140 175.777 176.870 0.078 0.000 0.997 77 L CA 0.254 55.086 54.840 -0.012 0.000 0.838 77 L CB 1.175 43.198 42.059 -0.061 0.000 1.224 77 L HN 0.620 nan 8.230 nan 0.000 0.416 78 D N 1.468 121.921 120.400 0.088 0.000 2.639 78 D HA 0.210 4.850 4.640 -0.000 0.000 0.271 78 D C 0.276 176.671 176.300 0.157 0.000 1.254 78 D CA -0.118 53.962 54.000 0.134 0.000 0.810 78 D CB 0.847 41.709 40.800 0.104 0.000 1.351 78 D HN 0.419 nan 8.370 nan 0.000 0.427 79 Y N -0.263 120.144 120.300 0.178 0.000 2.352 79 Y HA -0.028 4.522 4.550 -0.000 0.000 0.292 79 Y C 1.763 177.920 175.900 0.427 0.000 1.136 79 Y CA 1.804 60.098 58.100 0.323 0.000 1.227 79 Y CB -1.056 37.613 38.460 0.350 0.000 0.991 79 Y HN 0.302 nan 8.280 nan 0.000 0.545 80 T N -2.551 111.702 114.554 -0.502 0.000 3.085 80 T HA 0.482 4.832 4.350 -0.000 0.000 0.263 80 T C 0.926 175.661 174.700 0.058 0.000 1.127 80 T CA 0.408 62.303 62.100 -0.343 0.000 1.103 80 T CB -0.465 68.172 68.868 -0.385 0.000 0.921 80 T HN 0.857 nan 8.240 nan 0.000 0.510 81 G N 0.169 109.081 108.800 0.186 0.000 2.350 81 G HA2 0.380 4.340 3.960 -0.000 0.000 0.304 81 G HA3 0.380 4.340 3.960 -0.000 0.000 0.304 81 G C -1.889 173.209 174.900 0.330 0.000 1.421 81 G CA -1.131 44.137 45.100 0.280 0.000 0.934 81 G HN 0.311 nan 8.290 nan 0.000 0.632 82 I N 2.137 122.874 120.570 0.278 0.000 2.405 82 I HA 0.552 4.721 4.170 -0.000 0.000 0.280 82 I C -0.383 175.869 176.117 0.225 0.000 1.027 82 I CA -0.680 60.704 61.300 0.140 0.000 1.161 82 I CB 0.819 38.849 38.000 0.049 0.000 1.300 82 I HN 0.670 nan 8.210 nan 0.000 0.463 83 Y N 3.767 124.110 120.300 0.072 0.000 2.689 83 Y HA 0.687 5.237 4.550 -0.000 0.000 0.333 83 Y C -1.258 174.719 175.900 0.127 0.000 1.208 83 Y CA -1.723 56.438 58.100 0.102 0.000 1.055 83 Y CB 0.916 39.461 38.460 0.142 0.000 1.304 83 Y HN 0.217 nan 8.280 nan 0.000 0.455 84 K N 1.635 122.199 120.400 0.272 0.000 2.159 84 K HA 0.906 5.226 4.320 -0.000 0.000 0.266 84 K C -1.183 175.621 176.600 0.340 0.000 0.975 84 K CA 0.038 56.443 56.287 0.196 0.000 0.865 84 K CB 1.409 34.030 32.500 0.201 0.000 1.087 84 K HN 1.169 nan 8.250 nan 0.000 0.446 85 A N 2.952 125.898 122.820 0.210 0.000 2.566 85 A HA 0.412 4.732 4.320 -0.000 0.000 0.290 85 A C -1.733 175.912 177.584 0.101 0.000 1.071 85 A CA -0.957 51.212 52.037 0.220 0.000 0.658 85 A CB 0.810 19.939 19.000 0.215 0.000 1.285 85 A HN 0.685 nan 8.150 nan 0.000 0.427 86 D N 0.364 120.810 120.400 0.076 0.000 2.264 86 D HA 0.583 5.223 4.640 -0.000 0.000 0.249 86 D C -0.523 175.786 176.300 0.015 0.000 1.070 86 D CA 0.452 54.480 54.000 0.047 0.000 0.912 86 D CB 1.235 42.065 40.800 0.049 0.000 1.193 86 D HN 0.416 nan 8.370 nan 0.000 0.427 87 I N 0.767 121.345 120.570 0.013 0.000 2.418 87 I HA 0.393 4.563 4.170 -0.000 0.000 0.287 87 I C 0.588 176.706 176.117 0.002 0.000 1.008 87 I CA -0.689 60.613 61.300 0.003 0.000 1.104 87 I CB 2.102 40.104 38.000 0.004 0.000 1.264 87 I HN 0.205 nan 8.210 nan 0.000 0.438 88 G N 5.556 114.357 108.800 0.002 0.000 2.416 88 G HA2 0.650 4.610 3.960 -0.000 0.000 0.324 88 G HA3 0.650 4.610 3.960 -0.000 0.000 0.324 88 G C -0.997 173.908 174.900 0.010 0.000 1.194 88 G CA -0.363 44.740 45.100 0.005 0.000 0.922 88 G HN 0.327 nan 8.290 nan 0.000 0.467 89 V N 1.739 121.654 119.914 0.003 0.000 2.680 89 V HA 0.731 4.850 4.120 -0.000 0.000 0.309 89 V C -0.083 176.021 176.094 0.016 0.000 1.052 89 V CA -0.840 61.463 62.300 0.006 0.000 0.908 89 V CB 2.027 33.830 31.823 -0.033 0.000 1.001 89 V HN 0.813 nan 8.190 nan 0.000 0.431 90 K N 2.084 122.512 120.400 0.046 0.000 2.557 90 K HA 0.323 4.643 4.320 -0.000 0.000 0.257 90 K C -0.877 175.784 176.600 0.100 0.000 0.933 90 K CA -0.512 55.807 56.287 0.053 0.000 0.820 90 K CB 1.578 34.104 32.500 0.044 0.000 1.330 90 K HN 0.740 nan 8.250 nan 0.000 0.432 91 D N 2.567 123.022 120.400 0.092 0.000 2.911 91 D HA -0.202 4.438 4.640 -0.000 0.000 0.227 91 D C 0.585 177.022 176.300 0.228 0.000 1.164 91 D CA 1.928 56.013 54.000 0.141 0.000 0.782 91 D CB -0.934 39.950 40.800 0.140 0.000 1.094 91 D HN 1.101 nan 8.370 nan 0.000 0.425 92 G N -1.367 107.493 108.800 0.100 0.000 2.179 92 G HA2 -0.360 3.599 3.960 -0.000 0.000 0.260 92 G HA3 -0.360 3.599 3.960 -0.000 0.000 0.260 92 G C 0.023 174.779 174.900 -0.240 0.000 0.977 92 G CA 0.655 45.708 45.100 -0.080 0.000 0.641 92 G HN 0.453 nan 8.290 nan 0.000 0.533 93 Y N -0.420 119.868 120.300 -0.019 0.000 2.528 93 Y HA 0.690 5.239 4.550 -0.000 0.000 0.335 93 Y C 1.059 176.960 175.900 0.002 0.000 1.093 93 Y CA -1.263 56.855 58.100 0.031 0.000 1.134 93 Y CB 1.087 39.612 38.460 0.109 0.000 1.253 93 Y HN 0.089 nan 8.280 nan 0.000 0.478 94 I N 2.718 123.381 120.570 0.156 0.000 2.452 94 I HA 0.041 4.210 4.170 -0.000 0.000 0.287 94 I C 0.831 177.022 176.117 0.123 0.000 1.079 94 I CA 0.063 61.422 61.300 0.099 0.000 1.387 94 I CB 0.552 38.601 38.000 0.083 0.000 1.404 94 I HN 0.596 nan 8.210 nan 0.000 0.522 95 V N 2.569 122.531 119.914 0.079 0.000 3.635 95 V HA 0.536 4.656 4.120 -0.000 0.000 0.266 95 V C 0.651 176.764 176.094 0.031 0.000 1.316 95 V CA 0.280 62.617 62.300 0.062 0.000 1.060 95 V CB 0.313 32.166 31.823 0.050 0.000 0.820 95 V HN 0.760 nan 8.190 nan 0.000 0.447 96 G N 0.481 109.292 108.800 0.019 0.000 2.760 96 G HA2 0.682 4.642 3.960 -0.000 0.000 0.296 96 G HA3 0.682 4.642 3.960 -0.000 0.000 0.296 96 G C -1.495 173.389 174.900 -0.027 0.000 1.427 96 G CA -0.567 44.528 45.100 -0.008 0.000 1.109 96 G HN 0.183 nan 8.290 nan 0.000 0.553 97 I N 2.721 123.249 120.570 -0.071 0.000 2.382 97 I HA 0.721 4.890 4.170 -0.000 0.000 0.285 97 I C 0.807 176.744 176.117 -0.301 0.000 1.007 97 I CA -0.003 61.225 61.300 -0.120 0.000 1.142 97 I CB 1.619 39.577 38.000 -0.070 0.000 1.289 97 I HN 0.838 nan 8.210 nan 0.000 0.453 98 G N 5.555 114.207 108.800 -0.246 0.000 2.570 98 G HA2 0.138 4.097 3.960 -0.000 0.000 0.072 98 G HA3 0.138 4.097 3.960 -0.000 0.000 0.072 98 G C -1.362 173.533 174.900 -0.007 0.000 1.030 98 G CA -0.363 44.583 45.100 -0.257 0.000 1.277 98 G HN 0.312 nan 8.290 nan 0.000 0.559 99 K N 1.309 121.729 120.400 0.033 0.000 2.579 99 K HA 0.570 4.890 4.320 -0.000 0.000 0.250 99 K C -0.084 176.542 176.600 0.043 0.000 0.952 99 K CA -0.123 56.201 56.287 0.062 0.000 0.857 99 K CB 1.056 33.605 32.500 0.082 0.000 1.123 99 K HN 0.771 nan 8.250 nan 0.000 0.433 100 G N 1.229 110.055 108.800 0.044 0.000 2.476 100 G HA2 0.644 4.604 3.960 -0.000 0.000 0.269 100 G HA3 0.644 4.604 3.960 -0.000 0.000 0.269 100 G C 0.076 175.007 174.900 0.051 0.000 1.195 100 G CA 0.322 45.447 45.100 0.043 0.000 0.843 100 G HN 0.807 nan 8.290 nan 0.000 0.545 101 G N 0.293 109.125 108.800 0.054 0.000 2.334 101 G HA2 0.247 4.207 3.960 -0.000 0.000 0.249 101 G HA3 0.247 4.207 3.960 -0.000 0.000 0.249 101 G C -1.477 173.463 174.900 0.066 0.000 1.327 101 G CA -0.369 44.767 45.100 0.060 0.000 0.979 101 G HN 1.028 nan 8.290 nan 0.000 0.471 102 N N 1.258 119.997 118.700 0.066 0.000 2.491 102 N HA 0.556 5.296 4.740 -0.000 0.000 0.274 102 N C -1.430 174.122 175.510 0.070 0.000 1.023 102 N CA -2.016 51.080 53.050 0.077 0.000 0.902 102 N CB 2.817 41.343 38.487 0.066 0.000 1.267 102 N HN 0.145 nan 8.380 nan 0.000 0.503 103 P HA -0.052 nan 4.420 nan 0.000 0.225 103 P C 0.238 177.581 177.300 0.071 0.000 1.148 103 P CA 0.714 63.859 63.100 0.076 0.000 0.779 103 P CB 0.600 32.350 31.700 0.084 0.000 0.780 104 D N 0.824 121.268 120.400 0.074 0.000 2.126 104 D HA -0.174 4.466 4.640 -0.000 0.000 0.190 104 D C 1.878 178.201 176.300 0.038 0.000 1.001 104 D CA 1.661 55.690 54.000 0.050 0.000 0.841 104 D CB -0.291 40.527 40.800 0.029 0.000 0.949 104 D HN 0.425 nan 8.370 nan 0.000 0.446 105 I N -4.755 115.838 120.570 0.037 0.000 4.439 105 I HA 0.253 4.422 4.170 -0.000 0.000 0.331 105 I C 0.182 176.319 176.117 0.033 0.000 1.345 105 I CA -0.264 61.055 61.300 0.031 0.000 1.193 105 I CB 0.353 38.369 38.000 0.027 0.000 1.221 105 I HN -0.256 nan 8.210 nan 0.000 0.429 106 M N 1.610 121.233 119.600 0.037 0.000 2.508 106 M HA 0.445 4.925 4.480 -0.000 0.000 0.327 106 M C -1.014 175.306 176.300 0.032 0.000 1.160 106 M CA -0.585 54.736 55.300 0.035 0.000 0.980 106 M CB 1.607 34.230 32.600 0.039 0.000 1.693 106 M HN -0.074 nan 8.290 nan 0.000 0.452 107 D N 0.917 121.333 120.400 0.027 0.000 2.313 107 D HA 0.368 5.007 4.640 -0.000 0.000 0.247 107 D C 0.927 177.239 176.300 0.021 0.000 1.094 107 D CA 0.748 54.761 54.000 0.022 0.000 0.925 107 D CB 1.164 41.974 40.800 0.016 0.000 1.188 107 D HN 0.897 nan 8.370 nan 0.000 0.430 108 G N 0.753 109.565 108.800 0.021 0.000 2.198 108 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 108 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 108 G C 0.186 175.108 174.900 0.037 0.000 1.025 108 G CA 0.122 45.237 45.100 0.025 0.000 0.769 108 G HN 0.429 nan 8.290 nan 0.000 0.507 109 V N 1.524 121.460 119.914 0.036 0.000 2.470 109 V HA 0.300 4.420 4.120 -0.000 0.000 0.276 109 V C 1.330 177.443 176.094 0.032 0.000 1.040 109 V CA 0.297 62.620 62.300 0.038 0.000 1.008 109 V CB 0.912 32.760 31.823 0.041 0.000 0.990 109 V HN 0.403 nan 8.190 nan 0.000 0.477 110 T N 9.343 123.915 114.554 0.030 0.000 2.866 110 T HA 0.034 4.384 4.350 -0.000 0.000 0.293 110 T C -1.448 173.256 174.700 0.007 0.000 1.005 110 T CA -0.255 61.855 62.100 0.017 0.000 1.162 110 T CB 0.748 69.618 68.868 0.003 0.000 0.968 110 T HN 0.551 nan 8.240 nan 0.000 0.530 111 P HA -0.066 nan 4.420 nan 0.000 0.220 111 P C 1.069 178.351 177.300 -0.031 0.000 1.148 111 P CA 0.713 63.804 63.100 -0.015 0.000 0.803 111 P CB 0.097 31.785 31.700 -0.019 0.000 0.782 112 N N -1.512 117.174 118.700 -0.022 0.000 2.273 112 N HA 0.082 4.822 4.740 -0.000 0.000 0.231 112 N C 0.261 175.765 175.510 -0.011 0.000 1.134 112 N CA 0.063 53.098 53.050 -0.025 0.000 0.856 112 N CB -0.533 37.942 38.487 -0.020 0.000 1.068 112 N HN 0.159 nan 8.380 nan 0.000 0.510 113 M N 0.947 120.546 119.600 -0.002 0.000 3.043 113 M HA 0.378 4.858 4.480 -0.000 0.000 0.309 113 M C -0.579 175.735 176.300 0.023 0.000 1.202 113 M CA -0.307 54.999 55.300 0.009 0.000 0.869 113 M CB 0.557 33.163 32.600 0.009 0.000 1.327 113 M HN -0.042 nan 8.290 nan 0.000 0.524 114 I N 0.771 121.356 120.570 0.024 0.000 2.416 114 I HA 0.142 4.312 4.170 -0.000 0.000 0.288 114 I C 0.154 176.306 176.117 0.057 0.000 1.051 114 I CA -0.613 60.718 61.300 0.053 0.000 1.375 114 I CB 1.003 39.049 38.000 0.077 0.000 1.407 114 I HN -0.077 nan 8.210 nan 0.000 0.516 115 V N 6.588 126.541 119.914 0.065 0.000 2.455 115 V HA 0.483 4.603 4.120 -0.000 0.000 0.273 115 V C 0.780 176.919 176.094 0.074 0.000 1.045 115 V CA 0.104 62.440 62.300 0.060 0.000 0.976 115 V CB 0.571 32.431 31.823 0.063 0.000 0.993 115 V HN 1.009 nan 8.190 nan 0.000 0.475 116 G N 2.909 111.748 108.800 0.065 0.000 3.135 116 G HA2 0.376 4.335 3.960 -0.000 0.000 0.278 116 G HA3 0.376 4.335 3.960 -0.000 0.000 0.278 116 G C 0.712 175.643 174.900 0.051 0.000 1.302 116 G CA 0.299 45.443 45.100 0.073 0.000 0.880 116 G HN 0.429 nan 8.290 nan 0.000 0.574 117 T N 1.047 115.628 114.554 0.045 0.000 2.788 117 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 117 T C 2.433 177.146 174.700 0.023 0.000 1.044 117 T CA 1.944 64.063 62.100 0.032 0.000 1.139 117 T CB -0.297 68.587 68.868 0.027 0.000 0.867 117 T HN 0.652 nan 8.240 nan 0.000 0.454 118 A N 1.070 123.905 122.820 0.025 0.000 2.235 118 A HA 0.165 4.484 4.320 -0.000 0.000 0.208 118 A C 1.161 178.745 177.584 0.001 0.000 1.172 118 A CA 0.301 52.345 52.037 0.013 0.000 0.786 118 A CB -0.346 18.666 19.000 0.020 0.000 0.804 118 A HN 0.394 nan 8.150 nan 0.000 0.479 119 T N 0.819 115.373 114.554 0.001 0.000 2.845 119 T HA 0.432 4.782 4.350 -0.000 0.000 0.288 119 T C -0.235 174.433 174.700 -0.053 0.000 0.980 119 T CA -0.303 61.787 62.100 -0.017 0.000 1.071 119 T CB 1.490 70.358 68.868 -0.000 0.000 0.941 119 T HN 0.450 nan 8.240 nan 0.000 0.487 120 E N 2.090 122.243 120.200 -0.077 0.000 2.222 120 E HA 0.539 4.889 4.350 -0.000 0.000 0.272 120 E C -1.326 175.178 176.600 -0.160 0.000 0.982 120 E CA -0.739 55.581 56.400 -0.134 0.000 0.842 120 E CB 1.031 30.666 29.700 -0.108 0.000 1.144 120 E HN 0.315 nan 8.360 nan 0.000 0.397 121 V N 4.772 124.526 119.914 -0.265 0.000 2.540 121 V HA 0.449 4.568 4.120 -0.000 0.000 0.302 121 V C -0.187 175.789 176.094 -0.198 0.000 1.035 121 V CA -0.668 61.489 62.300 -0.237 0.000 0.873 121 V CB 1.471 33.097 31.823 -0.329 0.000 0.992 121 V HN 0.680 nan 8.190 nan 0.000 0.428 122 I N 3.676 124.188 120.570 -0.097 0.000 2.362 122 I HA 0.592 4.762 4.170 -0.000 0.000 0.289 122 I C 0.529 176.643 176.117 -0.005 0.000 0.994 122 I CA -0.573 60.695 61.300 -0.053 0.000 1.158 122 I CB 1.791 39.766 38.000 -0.042 0.000 1.315 122 I HN 0.715 nan 8.210 nan 0.000 0.451 123 A N 4.915 127.749 122.820 0.024 0.000 2.404 123 A HA 0.581 4.901 4.320 -0.000 0.000 0.273 123 A C 0.772 178.385 177.584 0.049 0.000 1.144 123 A CA -0.043 52.029 52.037 0.059 0.000 0.806 123 A CB 0.475 19.525 19.000 0.083 0.000 1.080 123 A HN 0.905 nan 8.150 nan 0.000 0.509 124 A N 2.743 125.596 122.820 0.055 0.000 2.431 124 A HA 0.274 4.594 4.320 -0.000 0.000 0.239 124 A C 0.661 178.287 177.584 0.070 0.000 1.230 124 A CA -0.196 51.875 52.037 0.058 0.000 0.928 124 A CB -0.108 18.923 19.000 0.052 0.000 1.006 124 A HN 0.832 nan 8.150 nan 0.000 0.520 125 E N 0.292 120.537 120.200 0.075 0.000 2.493 125 E HA 0.256 4.606 4.350 -0.000 0.000 0.255 125 E C 0.842 177.477 176.600 0.059 0.000 0.999 125 E CA 0.647 57.093 56.400 0.076 0.000 0.934 125 E CB -0.120 29.621 29.700 0.068 0.000 0.940 125 E HN 0.992 nan 8.360 nan 0.000 0.473 126 G N 2.822 111.661 108.800 0.066 0.000 2.157 126 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.248 126 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.248 126 G C -0.012 174.931 174.900 0.072 0.000 0.979 126 G CA 0.250 45.385 45.100 0.058 0.000 0.650 126 G HN 0.472 nan 8.290 nan 0.000 0.529 127 K N -0.149 120.302 120.400 0.085 0.000 2.221 127 K HA 0.717 5.037 4.320 -0.000 0.000 0.243 127 K C 0.108 176.778 176.600 0.116 0.000 0.968 127 K CA -0.864 55.494 56.287 0.119 0.000 0.846 127 K CB 1.938 34.507 32.500 0.116 0.000 1.141 127 K HN 0.204 nan 8.250 nan 0.000 0.434 128 I N 1.629 122.305 120.570 0.177 0.000 2.359 128 I HA 0.189 4.359 4.170 -0.000 0.000 0.294 128 I C -0.390 175.921 176.117 0.323 0.000 0.987 128 I CA -0.982 60.414 61.300 0.161 0.000 1.225 128 I CB 1.611 39.641 38.000 0.049 0.000 1.366 128 I HN 0.018 nan 8.210 nan 0.000 0.466 129 V N 5.110 125.153 119.914 0.214 0.000 2.384 129 V HA 0.506 4.626 4.120 -0.000 0.000 0.287 129 V C 0.222 176.468 176.094 0.254 0.000 1.020 129 V CA -0.430 62.004 62.300 0.224 0.000 0.850 129 V CB 1.518 33.401 31.823 0.100 0.000 0.987 129 V HN 0.888 nan 8.190 nan 0.000 0.436 130 T N 1.873 116.655 114.554 0.380 0.000 2.907 130 T HA 0.862 5.212 4.350 -0.000 0.000 0.290 130 T C 0.117 174.991 174.700 0.291 0.000 1.066 130 T CA -0.310 62.011 62.100 0.367 0.000 1.012 130 T CB 1.916 71.128 68.868 0.573 0.000 1.184 130 T HN 0.987 nan 8.240 nan 0.000 0.522 131 A N 0.464 123.438 122.820 0.257 0.000 2.429 131 A HA 0.597 4.917 4.320 -0.000 0.000 0.242 131 A C 1.025 178.768 177.584 0.265 0.000 1.088 131 A CA -0.022 52.147 52.037 0.220 0.000 0.784 131 A CB -0.866 18.257 19.000 0.204 0.000 1.038 131 A HN 1.378 nan 8.150 nan 0.000 0.501 132 G N -0.467 108.459 108.800 0.210 0.000 2.483 132 G HA2 0.483 4.443 3.960 -0.000 0.000 0.248 132 G HA3 0.483 4.443 3.960 -0.000 0.000 0.248 132 G C 0.518 175.583 174.900 0.276 0.000 1.248 132 G CA 0.155 45.386 45.100 0.219 0.000 0.838 132 G HN 1.182 nan 8.290 nan 0.000 0.566 133 G N -0.284 108.705 108.800 0.316 0.000 2.527 133 G HA2 0.432 4.392 3.960 -0.000 0.000 0.248 133 G HA3 0.432 4.392 3.960 -0.000 0.000 0.248 133 G C -0.132 174.915 174.900 0.246 0.000 1.231 133 G CA -0.506 44.816 45.100 0.369 0.000 0.838 133 G HN 0.486 nan 8.290 nan 0.000 0.570 134 I N 2.062 122.772 120.570 0.234 0.000 2.405 134 I HA 0.197 4.367 4.170 -0.000 0.000 0.280 134 I C -0.829 175.384 176.117 0.160 0.000 1.027 134 I CA -0.987 60.414 61.300 0.168 0.000 1.161 134 I CB 1.206 39.261 38.000 0.092 0.000 1.300 134 I HN 0.340 nan 8.210 nan 0.000 0.463 135 D N 4.772 125.269 120.400 0.162 0.000 2.359 135 D HA 0.241 4.880 4.640 -0.000 0.000 0.230 135 D C 0.976 177.383 176.300 0.178 0.000 1.118 135 D CA -0.115 53.968 54.000 0.139 0.000 0.844 135 D CB 1.301 42.156 40.800 0.091 0.000 1.059 135 D HN 0.593 nan 8.370 nan 0.000 0.493 136 T N 0.332 114.998 114.554 0.187 0.000 3.145 136 T HA 0.129 4.479 4.350 -0.000 0.000 0.255 136 T C 0.527 175.345 174.700 0.197 0.000 1.039 136 T CA -0.184 62.074 62.100 0.264 0.000 0.928 136 T CB -0.460 68.597 68.868 0.315 0.000 1.029 136 T HN 0.499 nan 8.240 nan 0.000 0.554 137 H N 0.498 119.507 119.070 -0.102 0.000 2.439 137 H HA 0.582 5.138 4.556 -0.000 0.000 0.230 137 H C -1.330 173.868 175.328 -0.216 0.000 1.420 137 H CA -0.513 55.298 56.048 -0.394 0.000 1.305 137 H CB 0.255 29.557 29.762 -0.767 0.000 1.667 137 H HN 0.109 nan 8.280 nan 0.000 0.515 138 V N 2.942 122.827 119.914 -0.049 0.000 2.427 138 V HA 0.159 4.279 4.120 -0.000 0.000 0.286 138 V C 0.157 176.047 176.094 -0.340 0.000 1.034 138 V CA -0.675 61.498 62.300 -0.211 0.000 0.893 138 V CB 1.235 32.782 31.823 -0.460 0.000 0.982 138 V HN 0.671 nan 8.190 nan 0.000 0.452 139 H N 4.551 123.508 119.070 -0.188 0.000 2.552 139 H HA 0.300 4.856 4.556 -0.000 0.000 0.311 139 H C -0.907 174.303 175.328 -0.197 0.000 1.071 139 H CA -0.308 55.674 56.048 -0.110 0.000 1.307 139 H CB 1.026 30.792 29.762 0.007 0.000 1.416 139 H HN 0.482 nan 8.280 nan 0.000 0.464 140 F N 4.407 124.436 119.950 0.130 0.000 2.509 140 F HA 0.039 4.566 4.527 -0.000 0.000 0.350 140 F C 1.321 177.173 175.800 0.087 0.000 1.220 140 F CA -0.295 57.755 58.000 0.083 0.000 1.151 140 F CB -0.051 38.975 39.000 0.043 0.000 1.379 140 F HN 0.555 nan 8.300 nan 0.000 0.610 141 I N -0.842 119.852 120.570 0.206 0.000 4.471 141 I HA 0.374 4.543 4.170 -0.000 0.000 0.326 141 I C -0.245 175.935 176.117 0.105 0.000 1.300 141 I CA 0.297 61.682 61.300 0.142 0.000 1.237 141 I CB 0.546 38.608 38.000 0.103 0.000 1.195 141 I HN 0.271 nan 8.210 nan 0.000 0.427 142 N N 1.045 119.806 118.700 0.102 0.000 2.549 142 N HA 0.387 5.126 4.740 -0.000 0.000 0.290 142 N C -2.450 173.108 175.510 0.080 0.000 1.122 142 N CA -1.962 51.130 53.050 0.070 0.000 0.885 142 N CB 2.023 40.534 38.487 0.040 0.000 1.455 142 N HN -0.213 nan 8.380 nan 0.000 0.521 143 P HA -0.034 nan 4.420 nan 0.000 0.221 143 P C 0.286 177.618 177.300 0.054 0.000 1.145 143 P CA 0.923 64.067 63.100 0.074 0.000 0.795 143 P CB 0.424 32.153 31.700 0.048 0.000 0.775 144 D N -0.266 120.158 120.400 0.039 0.000 2.309 144 D HA -0.160 4.480 4.640 -0.000 0.000 0.212 144 D C 2.045 178.357 176.300 0.020 0.000 0.968 144 D CA 0.739 54.755 54.000 0.027 0.000 0.882 144 D CB -0.475 40.337 40.800 0.019 0.000 0.918 144 D HN 0.467 nan 8.370 nan 0.000 0.503 145 Q N 0.423 120.240 119.800 0.028 0.000 2.226 145 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 145 Q C 1.804 177.808 176.000 0.007 0.000 0.975 145 Q CA 1.071 56.883 55.803 0.016 0.000 0.866 145 Q CB -0.271 28.482 28.738 0.026 0.000 0.915 145 Q HN 0.120 nan 8.270 nan 0.000 0.440 146 V N 2.113 122.041 119.914 0.024 0.000 2.307 146 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 146 V C 1.626 177.670 176.094 -0.085 0.000 1.045 146 V CA 2.144 64.447 62.300 0.004 0.000 1.024 146 V CB -0.584 31.262 31.823 0.038 0.000 0.651 146 V HN 0.362 nan 8.190 nan 0.000 0.449 147 D N 0.033 120.378 120.400 -0.092 0.000 2.144 147 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 147 D C 2.163 178.311 176.300 -0.254 0.000 0.984 147 D CA 1.061 54.930 54.000 -0.217 0.000 0.834 147 D CB -0.346 40.445 40.800 -0.015 0.000 0.955 147 D HN 0.288 nan 8.370 nan 0.000 0.465 148 V N 1.251 121.100 119.914 -0.108 0.000 2.332 148 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 148 V C 2.466 178.500 176.094 -0.100 0.000 1.055 148 V CA 1.965 64.221 62.300 -0.073 0.000 1.038 148 V CB -0.764 31.039 31.823 -0.033 0.000 0.651 148 V HN 0.212 nan 8.190 nan 0.000 0.450 149 A N -0.466 122.293 122.820 -0.102 0.000 1.872 149 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 149 A C 2.194 179.694 177.584 -0.140 0.000 1.187 149 A CA 1.517 53.505 52.037 -0.082 0.000 0.614 149 A CB -0.523 18.455 19.000 -0.037 0.000 0.826 149 A HN 0.483 nan 8.150 nan 0.000 0.442 150 L N -0.574 120.492 121.223 -0.262 0.000 2.079 150 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 150 L C 3.006 179.610 176.870 -0.442 0.000 1.081 150 L CA 1.093 55.697 54.840 -0.392 0.000 0.752 150 L CB -0.508 41.127 42.059 -0.706 0.000 0.896 150 L HN 0.452 nan 8.230 nan 0.000 0.433 151 A N -0.752 121.784 122.820 -0.474 0.000 2.015 151 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 151 A C 1.910 179.462 177.584 -0.053 0.000 1.163 151 A CA 1.511 53.452 52.037 -0.161 0.000 0.646 151 A CB -0.554 18.439 19.000 -0.012 0.000 0.806 151 A HN 0.528 nan 8.150 nan 0.000 0.448 152 N N -0.908 117.771 118.700 -0.034 0.000 2.279 152 N HA 0.217 4.957 4.740 -0.000 0.000 0.226 152 N C 0.732 176.317 175.510 0.125 0.000 1.126 152 N CA 0.599 53.700 53.050 0.086 0.000 0.846 152 N CB 0.055 38.590 38.487 0.080 0.000 1.050 152 N HN 0.473 nan 8.380 nan 0.000 0.502 153 G N 1.366 110.138 108.800 -0.047 0.000 2.137 153 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.237 153 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.237 153 G C -0.122 174.830 174.900 0.086 0.000 1.002 153 G CA -0.208 44.873 45.100 -0.032 0.000 0.702 153 G HN 0.318 nan 8.290 nan 0.000 0.515 154 I N 1.174 121.766 120.570 0.037 0.000 2.353 154 I HA 0.439 4.609 4.170 -0.000 0.000 0.293 154 I C 1.482 177.640 176.117 0.070 0.000 0.992 154 I CA 0.199 61.545 61.300 0.076 0.000 1.268 154 I CB 1.680 39.709 38.000 0.050 0.000 1.387 154 I HN 0.231 nan 8.210 nan 0.000 0.478 155 T N -0.836 113.792 114.554 0.124 0.000 3.004 155 T HA 0.188 4.538 4.350 -0.000 0.000 0.266 155 T C 0.469 175.281 174.700 0.187 0.000 0.986 155 T CA -0.059 62.120 62.100 0.132 0.000 0.902 155 T CB 0.290 69.242 68.868 0.140 0.000 1.118 155 T HN 0.482 nan 8.240 nan 0.000 0.522 156 T N 2.455 117.135 114.554 0.211 0.000 2.928 156 T HA 0.636 4.986 4.350 -0.000 0.000 0.296 156 T C -1.172 173.697 174.700 0.282 0.000 1.000 156 T CA -0.621 61.651 62.100 0.286 0.000 0.989 156 T CB 1.644 70.708 68.868 0.326 0.000 1.005 156 T HN 0.212 nan 8.240 nan 0.000 0.442 157 L N 3.442 124.855 121.223 0.317 0.000 2.319 157 L HA 0.624 4.964 4.340 -0.000 0.000 0.281 157 L C -1.096 176.007 176.870 0.390 0.000 1.005 157 L CA -0.797 54.218 54.840 0.292 0.000 0.828 157 L CB 1.078 43.290 42.059 0.256 0.000 1.227 157 L HN 0.515 nan 8.230 nan 0.000 0.415 158 F N 1.754 121.798 119.950 0.157 0.000 2.458 158 F HA 0.821 5.348 4.527 -0.000 0.000 0.336 158 F C 0.709 176.576 175.800 0.112 0.000 1.114 158 F CA -0.014 58.093 58.000 0.178 0.000 0.987 158 F CB 1.996 41.075 39.000 0.131 0.000 1.130 158 F HN 0.552 nan 8.300 nan 0.000 0.458 159 G N 1.481 110.418 108.800 0.228 0.000 2.452 159 G HA2 0.503 4.462 3.960 -0.000 0.000 0.224 159 G HA3 0.503 4.462 3.960 -0.000 0.000 0.224 159 G C -1.078 173.964 174.900 0.238 0.000 1.208 159 G CA 0.006 45.171 45.100 0.108 0.000 0.946 159 G HN 1.017 nan 8.290 nan 0.000 0.481 160 G N -2.116 106.794 108.800 0.183 0.000 2.649 160 G HA2 0.925 4.884 3.960 -0.000 0.000 0.290 160 G HA3 0.925 4.884 3.960 -0.000 0.000 0.290 160 G C -0.261 174.854 174.900 0.358 0.000 1.426 160 G CA 0.620 45.915 45.100 0.324 0.000 0.794 160 G HN 2.433 nan 8.290 nan 0.000 0.483 161 G N -1.949 107.029 108.800 0.296 0.000 2.317 161 G HA2 0.499 4.459 3.960 -0.000 0.000 0.445 161 G HA3 0.499 4.459 3.960 -0.000 0.000 0.445 161 G C 0.043 175.059 174.900 0.193 0.000 1.486 161 G CA 0.766 46.023 45.100 0.261 0.000 0.991 161 G HN 1.822 nan 8.290 nan 0.000 0.660 162 T N -1.807 112.839 114.554 0.154 0.000 3.252 162 T HA 0.660 5.010 4.350 -0.000 0.000 0.286 162 T C 1.321 176.079 174.700 0.096 0.000 1.013 162 T CA 1.049 63.206 62.100 0.096 0.000 0.914 162 T CB 0.291 69.217 68.868 0.097 0.000 1.131 162 T HN 2.736 nan 8.240 nan 0.000 0.529 163 G N 2.556 111.432 108.800 0.126 0.000 2.466 163 G HA2 0.031 3.991 3.960 -0.000 0.000 0.316 163 G HA3 0.031 3.991 3.960 -0.000 0.000 0.316 163 G C -2.823 172.137 174.900 0.099 0.000 1.270 163 G CA -0.490 44.672 45.100 0.104 0.000 0.982 163 G HN 0.115 nan 8.290 nan 0.000 0.506 164 P HA 0.468 nan 4.420 nan 0.000 0.237 164 P C 0.376 177.707 177.300 0.052 0.000 1.723 164 P CA 0.928 64.062 63.100 0.057 0.000 0.882 164 P CB -0.087 31.637 31.700 0.039 0.000 1.810 165 A N 0.692 123.553 122.820 0.068 0.000 2.322 165 A HA 0.238 4.558 4.320 -0.000 0.000 0.269 165 A C 1.376 178.987 177.584 0.045 0.000 1.094 165 A CA -0.250 51.825 52.037 0.063 0.000 0.807 165 A CB 0.514 19.571 19.000 0.094 0.000 1.047 165 A HN -0.011 nan 8.150 nan 0.000 0.487 166 E N 1.580 121.787 120.200 0.012 0.000 2.204 166 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 166 E C 2.029 178.589 176.600 -0.067 0.000 0.990 166 E CA 1.793 58.170 56.400 -0.037 0.000 0.821 166 E CB -0.236 29.420 29.700 -0.074 0.000 0.750 166 E HN 0.827 nan 8.360 nan 0.000 0.477 167 G N -0.411 108.387 108.800 -0.003 0.000 2.408 167 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 167 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 167 G C 1.714 176.686 174.900 0.120 0.000 1.150 167 G CA 0.901 46.017 45.100 0.027 0.000 0.776 167 G HN 0.244 nan 8.290 nan 0.000 0.542 168 S N 0.292 116.087 115.700 0.158 0.000 2.406 168 S HA 0.009 4.479 4.470 -0.000 0.000 0.228 168 S C 2.166 176.901 174.600 0.225 0.000 1.020 168 S CA 0.821 59.145 58.200 0.206 0.000 0.965 168 S CB -0.062 63.251 63.200 0.188 0.000 0.798 168 S HN 0.380 nan 8.310 nan 0.000 0.488 169 K N 1.283 121.740 120.400 0.095 0.000 2.211 169 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 169 K C 2.072 178.640 176.600 -0.053 0.000 1.050 169 K CA 1.064 57.358 56.287 0.012 0.000 0.945 169 K CB -0.140 32.352 32.500 -0.014 0.000 0.732 169 K HN 0.338 nan 8.250 nan 0.000 0.451 170 A N 1.080 123.872 122.820 -0.046 0.000 1.956 170 A HA -0.003 4.317 4.320 -0.000 0.000 0.212 170 A C 1.097 178.673 177.584 -0.014 0.000 1.188 170 A CA 0.880 52.844 52.037 -0.121 0.000 0.675 170 A CB 0.206 19.024 19.000 -0.303 0.000 0.845 170 A HN 0.327 nan 8.150 nan 0.000 0.455 171 T N -2.136 112.478 114.554 0.100 0.000 2.916 171 T HA 0.441 4.791 4.350 -0.000 0.000 0.298 171 T C -0.232 174.532 174.700 0.107 0.000 1.031 171 T CA 0.189 62.322 62.100 0.055 0.000 0.993 171 T CB 1.149 69.971 68.868 -0.077 0.000 1.045 171 T HN 0.359 nan 8.240 nan 0.000 0.454 172 T N 0.779 115.266 114.554 -0.113 0.000 4.219 172 T HA 0.476 4.826 4.350 -0.000 0.000 0.263 172 T C -0.090 174.642 174.700 0.053 0.000 1.217 172 T CA -0.474 61.497 62.100 -0.216 0.000 1.145 172 T CB -1.208 67.521 68.868 -0.232 0.000 1.298 172 T HN 0.604 nan 8.240 nan 0.000 0.999 173 V N 2.389 122.380 119.914 0.128 0.000 2.686 173 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 173 V C -0.070 176.094 176.094 0.116 0.000 1.065 173 V CA -0.806 61.572 62.300 0.131 0.000 0.894 173 V CB 2.550 34.485 31.823 0.186 0.000 1.004 173 V HN 0.738 nan 8.190 nan 0.000 0.424 174 T N 6.879 121.469 114.554 0.061 0.000 2.893 174 T HA 0.411 4.761 4.350 -0.000 0.000 0.324 174 T C -2.799 171.896 174.700 -0.009 0.000 1.082 174 T CA -1.219 60.907 62.100 0.043 0.000 0.983 174 T CB 1.452 70.332 68.868 0.020 0.000 1.005 174 T HN 0.388 nan 8.240 nan 0.000 0.475 175 P HA 0.470 nan 4.420 nan 0.000 0.282 175 P C 0.507 177.789 177.300 -0.030 0.000 1.262 175 P CA 0.484 63.525 63.100 -0.098 0.000 0.773 175 P CB 0.692 32.278 31.700 -0.190 0.000 0.879 176 G N 5.108 113.884 108.800 -0.041 0.000 2.758 176 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.686 176 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.686 176 G C -2.328 172.592 174.900 0.034 0.000 1.389 176 G CA -0.686 44.414 45.100 0.001 0.000 0.845 176 G HN 0.239 nan 8.290 nan 0.000 0.572 177 P HA -0.051 nan 4.420 nan 0.000 0.216 177 P C 1.631 178.989 177.300 0.097 0.000 1.153 177 P CA 2.063 65.195 63.100 0.053 0.000 0.848 177 P CB 0.017 31.749 31.700 0.053 0.000 0.787 178 W N 0.715 121.994 121.300 -0.035 0.000 2.379 178 W HA -0.089 4.571 4.660 -0.000 0.000 0.307 178 W C 1.991 178.490 176.519 -0.033 0.000 1.200 178 W CA 1.288 58.614 57.345 -0.031 0.000 1.297 178 W CB -0.744 28.700 29.460 -0.026 0.000 1.140 178 W HN -0.181 nan 8.180 nan 0.000 0.507 179 N N 0.677 119.518 118.700 0.235 0.000 2.166 179 N HA -0.211 4.529 4.740 -0.000 0.000 0.186 179 N C 1.743 177.184 175.510 -0.116 0.000 1.019 179 N CA 2.160 55.238 53.050 0.046 0.000 0.856 179 N CB -0.706 37.862 38.487 0.135 0.000 0.993 179 N HN 0.295 nan 8.380 nan 0.000 0.426 180 I N 1.761 122.285 120.570 -0.077 0.000 2.202 180 I HA -0.220 3.949 4.170 -0.000 0.000 0.242 180 I C 2.113 178.131 176.117 -0.165 0.000 1.091 180 I CA 1.148 62.386 61.300 -0.103 0.000 1.368 180 I CB -0.197 37.766 38.000 -0.062 0.000 1.058 180 I HN 0.123 nan 8.210 nan 0.000 0.410 181 E N 0.660 120.747 120.200 -0.188 0.000 2.085 181 E HA -0.225 4.124 4.350 -0.000 0.000 0.194 181 E C 2.130 178.540 176.600 -0.318 0.000 0.994 181 E CA 0.937 57.200 56.400 -0.228 0.000 0.801 181 E CB -0.010 29.557 29.700 -0.221 0.000 0.743 181 E HN 0.304 nan 8.360 nan 0.000 0.453 182 K N 0.346 120.459 120.400 -0.479 0.000 2.026 182 K HA -0.087 4.232 4.320 -0.000 0.000 0.208 182 K C 2.004 178.419 176.600 -0.308 0.000 1.048 182 K CA 1.126 57.119 56.287 -0.490 0.000 0.929 182 K CB -0.257 31.807 32.500 -0.726 0.000 0.713 182 K HN 0.190 nan 8.250 nan 0.000 0.439 183 M N 0.551 119.991 119.600 -0.266 0.000 2.229 183 M HA -0.020 4.460 4.480 -0.000 0.000 0.264 183 M C 2.307 178.463 176.300 -0.239 0.000 1.063 183 M CA 1.073 56.230 55.300 -0.239 0.000 1.114 183 M CB -0.881 31.584 32.600 -0.226 0.000 1.387 183 M HN 0.040 nan 8.290 nan 0.000 0.420 184 L N -0.151 120.945 121.223 -0.212 0.000 2.083 184 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 184 L C 2.472 179.242 176.870 -0.167 0.000 1.083 184 L CA 1.272 56.002 54.840 -0.183 0.000 0.752 184 L CB -0.547 41.420 42.059 -0.154 0.000 0.899 184 L HN 0.300 nan 8.230 nan 0.000 0.433 185 K N -0.866 119.430 120.400 -0.173 0.000 2.097 185 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 185 K C 2.406 178.930 176.600 -0.126 0.000 1.050 185 K CA 1.406 57.605 56.287 -0.146 0.000 0.938 185 K CB -0.193 32.215 32.500 -0.155 0.000 0.718 185 K HN 0.109 nan 8.250 nan 0.000 0.442 186 S N 0.450 116.061 115.700 -0.147 0.000 2.368 186 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 186 S C 1.822 176.352 174.600 -0.116 0.000 1.030 186 S CA 1.690 59.816 58.200 -0.125 0.000 0.999 186 S CB -0.301 62.811 63.200 -0.147 0.000 0.844 186 S HN 0.260 nan 8.310 nan 0.000 0.459 187 T N 2.305 116.766 114.554 -0.156 0.000 2.929 187 T HA -0.047 4.303 4.350 -0.000 0.000 0.271 187 T C 1.551 176.209 174.700 -0.070 0.000 1.085 187 T CA 1.082 63.096 62.100 -0.143 0.000 1.125 187 T CB -0.315 68.438 68.868 -0.191 0.000 0.874 187 T HN 0.449 nan 8.240 nan 0.000 0.494 188 E N 0.806 120.976 120.200 -0.050 0.000 2.209 188 E HA -0.078 4.271 4.350 -0.000 0.000 0.196 188 E C 2.138 178.783 176.600 0.076 0.000 0.993 188 E CA 1.024 57.440 56.400 0.026 0.000 0.819 188 E CB -0.390 29.311 29.700 0.002 0.000 0.745 188 E HN 0.579 nan 8.360 nan 0.000 0.477 189 G N 0.226 109.039 108.800 0.021 0.000 3.337 189 G HA2 0.261 4.221 3.960 -0.000 0.000 0.246 189 G HA3 0.261 4.221 3.960 -0.000 0.000 0.246 189 G C 0.372 175.275 174.900 0.006 0.000 1.131 189 G CA -0.318 44.792 45.100 0.016 0.000 0.773 189 G HN 0.002 nan 8.290 nan 0.000 0.544 190 L N 1.821 123.046 121.223 0.002 0.000 2.282 190 L HA 0.354 4.694 4.340 -0.000 0.000 0.288 190 L C -2.032 174.854 176.870 0.028 0.000 1.033 190 L CA -2.081 52.767 54.840 0.013 0.000 0.807 190 L CB 2.386 44.447 42.059 0.005 0.000 1.209 190 L HN -0.122 nan 8.230 nan 0.000 0.423 191 P HA 0.306 nan 4.420 nan 0.000 0.219 191 P C -0.597 176.734 177.300 0.051 0.000 1.832 191 P CA 0.189 63.312 63.100 0.039 0.000 1.014 191 P CB 0.561 32.284 31.700 0.037 0.000 1.939 192 I N 0.485 121.095 120.570 0.067 0.000 2.947 192 I HA 0.300 4.470 4.170 -0.000 0.000 0.301 192 I C -1.232 174.954 176.117 0.115 0.000 1.453 192 I CA -0.914 60.443 61.300 0.095 0.000 0.984 192 I CB 2.237 40.294 38.000 0.096 0.000 1.333 192 I HN -0.187 nan 8.210 nan 0.000 0.475 193 N N 3.284 122.082 118.700 0.163 0.000 2.525 193 N HA 0.512 5.252 4.740 -0.000 0.000 0.271 193 N C -1.143 174.501 175.510 0.225 0.000 1.194 193 N CA -0.150 53.006 53.050 0.178 0.000 0.964 193 N CB 1.709 40.384 38.487 0.313 0.000 1.126 193 N HN 0.277 nan 8.380 nan 0.000 0.452 194 V N -0.540 119.474 119.914 0.168 0.000 2.971 194 V HA 0.768 4.888 4.120 -0.000 0.000 0.309 194 V C 0.174 176.247 176.094 -0.036 0.000 1.130 194 V CA -0.932 61.434 62.300 0.110 0.000 0.964 194 V CB 2.275 34.078 31.823 -0.034 0.000 1.029 194 V HN 0.779 nan 8.190 nan 0.000 0.427 195 G N 3.177 111.698 108.800 -0.464 0.000 2.643 195 G HA2 0.764 4.724 3.960 -0.000 0.000 0.305 195 G HA3 0.764 4.724 3.960 -0.000 0.000 0.305 195 G C -1.373 173.105 174.900 -0.703 0.000 1.387 195 G CA -0.501 43.939 45.100 -1.100 0.000 0.982 195 G HN 0.571 nan 8.290 nan 0.000 0.501 196 I N 1.835 122.198 120.570 -0.345 0.000 2.377 196 I HA 0.362 4.532 4.170 -0.000 0.000 0.293 196 I C -0.173 175.920 176.117 -0.041 0.000 0.987 196 I CA -0.674 60.553 61.300 -0.123 0.000 1.185 196 I CB 1.881 39.806 38.000 -0.124 0.000 1.341 196 I HN 0.112 nan 8.210 nan 0.000 0.455 197 L N 5.345 126.594 121.223 0.043 0.000 2.307 197 L HA 0.587 4.927 4.340 -0.000 0.000 0.282 197 L C 0.749 177.636 176.870 0.028 0.000 1.051 197 L CA -0.495 54.380 54.840 0.057 0.000 0.804 197 L CB 1.295 43.407 42.059 0.090 0.000 1.197 197 L HN 0.653 nan 8.230 nan 0.000 0.431 198 G N 1.385 110.188 108.800 0.005 0.000 2.557 198 G HA2 0.235 4.195 3.960 -0.000 0.000 0.292 198 G HA3 0.235 4.195 3.960 -0.000 0.000 0.292 198 G C -0.748 174.127 174.900 -0.040 0.000 1.237 198 G CA -0.610 44.475 45.100 -0.025 0.000 0.978 198 G HN 0.563 nan 8.290 nan 0.000 0.498 199 K N -0.011 120.328 120.400 -0.101 0.000 2.349 199 K HA 0.274 4.593 4.320 -0.000 0.000 0.288 199 K C 0.700 177.266 176.600 -0.058 0.000 1.058 199 K CA -0.114 56.091 56.287 -0.136 0.000 0.953 199 K CB 0.370 32.640 32.500 -0.384 0.000 0.997 199 K HN 0.416 nan 8.250 nan 0.000 0.477 200 G N 4.725 113.507 108.800 -0.030 0.000 3.717 200 G HA2 0.100 4.060 3.960 -0.000 0.000 0.258 200 G HA3 0.100 4.060 3.960 -0.000 0.000 0.258 200 G C -0.921 173.712 174.900 -0.445 0.000 1.088 200 G CA -0.141 44.853 45.100 -0.176 0.000 1.737 200 G HN 0.697 nan 8.290 nan 0.000 0.648 201 H N -0.827 118.198 119.070 -0.074 0.000 2.759 201 H HA 0.673 5.229 4.556 -0.000 0.000 0.354 201 H C 0.285 175.583 175.328 -0.050 0.000 1.074 201 H CA 0.327 56.350 56.048 -0.042 0.000 1.226 201 H CB 2.358 32.096 29.762 -0.041 0.000 1.648 201 H HN 0.624 nan 8.280 nan 0.000 0.529 202 G N -0.132 108.709 108.800 0.068 0.000 2.352 202 G HA2 0.254 4.214 3.960 -0.000 0.000 0.305 202 G HA3 0.254 4.214 3.960 -0.000 0.000 0.305 202 G C -0.100 174.810 174.900 0.017 0.000 1.537 202 G CA -0.206 44.913 45.100 0.032 0.000 0.959 202 G HN 0.687 nan 8.290 nan 0.000 0.668 203 S N -1.344 114.365 115.700 0.014 0.000 2.559 203 S HA 0.574 5.044 4.470 -0.000 0.000 0.226 203 S C 0.687 175.287 174.600 0.001 0.000 1.000 203 S CA 0.547 58.753 58.200 0.009 0.000 0.948 203 S CB 0.645 63.854 63.200 0.016 0.000 0.870 203 S HN 0.833 nan 8.310 nan 0.000 0.497 204 S N 1.315 117.013 115.700 -0.003 0.000 2.536 204 S HA 0.535 5.005 4.470 -0.000 0.000 0.298 204 S C 0.836 175.429 174.600 -0.011 0.000 1.083 204 S CA -0.792 57.405 58.200 -0.006 0.000 0.995 204 S CB 1.202 64.399 63.200 -0.005 0.000 1.058 204 S HN 0.104 nan 8.310 nan 0.000 0.488 205 I N 1.856 122.419 120.570 -0.012 0.000 2.315 205 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 205 I C 2.527 178.634 176.117 -0.016 0.000 1.117 205 I CA 1.291 62.581 61.300 -0.015 0.000 1.404 205 I CB -1.633 36.358 38.000 -0.014 0.000 1.071 205 I HN 0.760 nan 8.210 nan 0.000 0.419 206 A N 1.852 124.664 122.820 -0.013 0.000 1.883 206 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 206 A C 0.128 177.703 177.584 -0.015 0.000 1.186 206 A CA 1.718 53.748 52.037 -0.012 0.000 0.624 206 A CB -2.089 16.906 19.000 -0.010 0.000 0.822 206 A HN 0.294 nan 8.150 nan 0.000 0.444 207 P HA -0.139 nan 4.420 nan 0.000 0.218 207 P C 1.329 178.612 177.300 -0.029 0.000 1.148 207 P CA 1.059 64.146 63.100 -0.022 0.000 0.822 207 P CB -0.144 31.542 31.700 -0.023 0.000 0.784 208 I N -1.948 118.604 120.570 -0.030 0.000 2.235 208 I HA -0.162 4.008 4.170 -0.000 0.000 0.241 208 I C 2.363 178.462 176.117 -0.029 0.000 1.085 208 I CA 1.127 62.405 61.300 -0.036 0.000 1.378 208 I CB -0.615 37.360 38.000 -0.041 0.000 1.076 208 I HN -0.091 nan 8.210 nan 0.000 0.415 209 M N 1.751 121.338 119.600 -0.022 0.000 2.202 209 M HA -0.238 4.242 4.480 -0.000 0.000 0.262 209 M C 2.112 178.404 176.300 -0.013 0.000 1.063 209 M CA 1.841 57.131 55.300 -0.016 0.000 1.097 209 M CB -0.700 31.892 32.600 -0.014 0.000 1.382 209 M HN 0.354 nan 8.290 nan 0.000 0.413 210 E N -1.230 118.962 120.200 -0.013 0.000 2.338 210 E HA -0.223 4.126 4.350 -0.000 0.000 0.197 210 E C 1.709 178.304 176.600 -0.009 0.000 1.007 210 E CA 1.069 57.464 56.400 -0.009 0.000 0.849 210 E CB -0.561 29.135 29.700 -0.006 0.000 0.774 210 E HN 0.714 nan 8.360 nan 0.000 0.506 211 Q N 0.230 120.021 119.800 -0.015 0.000 2.096 211 Q HA -0.068 4.271 4.340 -0.000 0.000 0.197 211 Q C 2.164 178.156 176.000 -0.013 0.000 0.964 211 Q CA 0.838 56.631 55.803 -0.018 0.000 0.838 211 Q CB 0.076 28.797 28.738 -0.028 0.000 0.906 211 Q HN 0.340 nan 8.270 nan 0.000 0.444 212 I N 1.640 122.205 120.570 -0.009 0.000 2.179 212 I HA -0.234 3.935 4.170 -0.000 0.000 0.242 212 I C 1.580 177.696 176.117 -0.001 0.000 1.088 212 I CA 1.414 62.714 61.300 -0.001 0.000 1.357 212 I CB -1.127 36.874 38.000 0.001 0.000 1.051 212 I HN 0.179 nan 8.210 nan 0.000 0.409 213 D N 1.012 121.410 120.400 -0.004 0.000 2.219 213 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 213 D C 2.136 178.432 176.300 -0.008 0.000 0.970 213 D CA 1.262 55.260 54.000 -0.004 0.000 0.851 213 D CB 0.047 40.845 40.800 -0.004 0.000 0.943 213 D HN 0.323 nan 8.370 nan 0.000 0.488 214 A N -0.413 122.401 122.820 -0.011 0.000 2.167 214 A HA 0.360 4.679 4.320 -0.000 0.000 0.214 214 A C 1.811 179.377 177.584 -0.030 0.000 1.151 214 A CA 1.426 53.452 52.037 -0.018 0.000 0.735 214 A CB 0.135 19.125 19.000 -0.016 0.000 0.802 214 A HN 0.296 nan 8.150 nan 0.000 0.467 215 G N -2.715 106.071 108.800 -0.023 0.000 2.370 215 G HA2 0.263 4.223 3.960 -0.000 0.000 0.174 215 G HA3 0.263 4.223 3.960 -0.000 0.000 0.174 215 G C 0.393 175.278 174.900 -0.026 0.000 1.002 215 G CA 0.021 45.104 45.100 -0.030 0.000 0.730 215 G HN 1.299 nan 8.290 nan 0.000 0.497 216 A N 0.380 123.189 122.820 -0.019 0.000 2.466 216 A HA 0.705 5.024 4.320 -0.000 0.000 0.238 216 A C 1.434 179.033 177.584 0.025 0.000 1.074 216 A CA 1.282 53.313 52.037 -0.010 0.000 0.774 216 A CB 0.678 19.676 19.000 -0.003 0.000 1.015 216 A HN 1.719 nan 8.150 nan 0.000 0.498 217 A N 0.803 123.650 122.820 0.045 0.000 2.430 217 A HA 0.589 4.909 4.320 -0.000 0.000 0.243 217 A C 0.887 178.601 177.584 0.216 0.000 1.254 217 A CA 0.898 53.022 52.037 0.146 0.000 0.914 217 A CB -0.525 18.564 19.000 0.147 0.000 0.998 217 A HN 2.381 nan 8.150 nan 0.000 0.515 218 G N -1.443 107.437 108.800 0.132 0.000 2.317 218 G HA2 0.440 4.400 3.960 -0.000 0.000 0.293 218 G HA3 0.440 4.400 3.960 -0.000 0.000 0.293 218 G C -1.429 173.504 174.900 0.054 0.000 1.287 218 G CA -0.666 44.502 45.100 0.113 0.000 0.850 218 G HN 0.289 nan 8.290 nan 0.000 0.515 222 H N 5.776 125.176 119.070 0.550 0.000 2.717 222 H HA 0.298 4.853 4.556 -0.000 0.000 0.366 222 H C 0.267 175.732 175.328 0.228 0.000 1.132 222 H CA -0.428 55.800 56.048 0.299 0.000 1.180 222 H CB 2.631 32.526 29.762 0.221 0.000 1.678 222 H HN 0.866 nan 8.280 nan 0.000 0.537 223 E N 2.078 122.306 120.200 0.047 0.000 2.265 223 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 223 E C -0.026 176.642 176.600 0.114 0.000 0.996 223 E CA 1.302 57.774 56.400 0.121 0.000 0.832 223 E CB 0.192 29.946 29.700 0.090 0.000 0.756 223 E HN 0.434 nan 8.360 nan 0.000 0.491 224 D N 0.229 120.755 120.400 0.211 0.000 2.310 224 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 224 D C 0.439 176.510 176.300 -0.383 0.000 0.965 224 D CA 0.812 54.705 54.000 -0.179 0.000 0.879 224 D CB -0.204 40.327 40.800 -0.448 0.000 0.921 224 D HN 0.477 nan 8.370 nan 0.000 0.510 225 W N 0.427 121.593 121.300 -0.225 0.000 3.239 225 W HA 0.402 5.062 4.660 -0.000 0.000 0.348 225 W C 0.626 176.906 176.519 -0.399 0.000 1.183 225 W CA -0.092 56.962 57.345 -0.485 0.000 1.819 225 W CB 0.760 29.601 29.460 -1.031 0.000 1.091 225 W HN -0.075 nan 8.180 nan 0.000 0.629 226 G N 1.190 110.029 108.800 0.065 0.000 2.788 226 G HA2 0.074 4.033 3.960 -0.000 0.000 0.301 226 G HA3 0.074 4.033 3.960 -0.000 0.000 0.301 226 G C -0.178 174.941 174.900 0.365 0.000 1.000 226 G CA -0.600 44.612 45.100 0.188 0.000 1.267 226 G HN 0.392 nan 8.290 nan 0.000 0.578 227 A N 2.029 125.015 122.820 0.275 0.000 3.135 227 A HA 0.658 4.978 4.320 -0.000 0.000 0.253 227 A C 1.333 178.997 177.584 0.133 0.000 1.638 227 A CA 0.927 53.108 52.037 0.241 0.000 1.295 227 A CB -0.553 18.549 19.000 0.171 0.000 1.106 227 A HN 2.035 nan 8.150 nan 0.000 0.648 228 T N -2.970 111.663 114.554 0.132 0.000 2.847 228 T HA 0.414 4.764 4.350 -0.000 0.000 0.279 228 T C -1.696 173.038 174.700 0.057 0.000 0.984 228 T CA -1.570 60.582 62.100 0.086 0.000 0.988 228 T CB 0.859 69.778 68.868 0.084 0.000 1.040 228 T HN 0.079 nan 8.240 nan 0.000 0.528 229 P HA -0.059 nan 4.420 nan 0.000 0.216 229 P C 1.499 178.807 177.300 0.013 0.000 1.150 229 P CA 1.492 64.608 63.100 0.027 0.000 0.843 229 P CB -0.236 31.477 31.700 0.022 0.000 0.787 230 A N -1.110 121.720 122.820 0.018 0.000 1.872 230 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 230 A C 2.386 179.966 177.584 -0.006 0.000 1.187 230 A CA 1.788 53.830 52.037 0.009 0.000 0.614 230 A CB -1.395 17.616 19.000 0.018 0.000 0.826 230 A HN 0.073 nan 8.150 nan 0.000 0.442 231 S N 0.012 115.711 115.700 -0.001 0.000 2.370 231 S HA -0.149 4.320 4.470 -0.000 0.000 0.226 231 S C 1.814 176.344 174.600 -0.117 0.000 1.033 231 S CA 1.572 59.733 58.200 -0.065 0.000 1.011 231 S CB -0.557 62.606 63.200 -0.062 0.000 0.852 231 S HN 0.522 nan 8.310 nan 0.000 0.457 232 I N 1.464 121.988 120.570 -0.077 0.000 2.118 232 I HA -0.259 3.910 4.170 -0.000 0.000 0.241 232 I C 2.406 178.489 176.117 -0.056 0.000 1.070 232 I CA 1.801 63.060 61.300 -0.068 0.000 1.327 232 I CB -0.474 37.510 38.000 -0.026 0.000 1.034 232 I HN 0.273 nan 8.210 nan 0.000 0.405 233 D N 0.533 120.911 120.400 -0.036 0.000 2.117 233 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 233 D C 2.315 178.594 176.300 -0.034 0.000 0.987 233 D CA 1.316 55.299 54.000 -0.029 0.000 0.829 233 D CB 0.105 40.895 40.800 -0.017 0.000 0.961 233 D HN 0.010 nan 8.370 nan 0.000 0.460 234 R N 0.291 120.768 120.500 -0.038 0.000 2.075 234 R HA 0.035 4.375 4.340 -0.000 0.000 0.232 234 R C 2.563 178.834 176.300 -0.050 0.000 1.126 234 R CA 0.871 56.948 56.100 -0.038 0.000 0.963 234 R CB -1.194 29.086 30.300 -0.033 0.000 0.858 234 R HN 0.184 nan 8.270 nan 0.000 0.435 235 S N 1.467 117.123 115.700 -0.073 0.000 2.368 235 S HA -0.050 4.420 4.470 -0.000 0.000 0.225 235 S C 2.092 176.656 174.600 -0.060 0.000 1.030 235 S CA 1.018 59.169 58.200 -0.080 0.000 0.999 235 S CB -0.206 62.921 63.200 -0.121 0.000 0.844 235 S HN 0.187 nan 8.310 nan 0.000 0.459 236 L N 0.850 122.040 121.223 -0.055 0.000 2.156 236 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 236 L C 2.597 179.448 176.870 -0.032 0.000 1.095 236 L CA 0.974 55.788 54.840 -0.043 0.000 0.770 236 L CB -0.884 41.151 42.059 -0.040 0.000 0.914 236 L HN 0.284 nan 8.230 nan 0.000 0.439 237 T N -0.667 113.869 114.554 -0.030 0.000 2.746 237 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 237 T C 2.019 176.705 174.700 -0.022 0.000 1.039 237 T CA 1.280 63.366 62.100 -0.023 0.000 1.142 237 T CB -0.144 68.711 68.868 -0.021 0.000 0.866 237 T HN 0.040 nan 8.240 nan 0.000 0.444 238 V N 1.680 121.578 119.914 -0.026 0.000 2.295 238 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 238 V C 2.874 178.956 176.094 -0.019 0.000 1.049 238 V CA 1.772 64.059 62.300 -0.022 0.000 1.024 238 V CB -1.181 30.626 31.823 -0.027 0.000 0.648 238 V HN 0.530 nan 8.190 nan 0.000 0.447 239 A N -0.282 122.524 122.820 -0.023 0.000 1.877 239 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 239 A C 2.007 179.583 177.584 -0.014 0.000 1.186 239 A CA 2.056 54.083 52.037 -0.018 0.000 0.620 239 A CB -0.680 18.305 19.000 -0.025 0.000 0.822 239 A HN 0.527 nan 8.150 nan 0.000 0.443 240 D N -0.855 119.535 120.400 -0.017 0.000 2.178 240 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 240 D C 1.880 178.173 176.300 -0.012 0.000 0.980 240 D CA 1.469 55.460 54.000 -0.015 0.000 0.842 240 D CB -0.192 40.598 40.800 -0.016 0.000 0.948 240 D HN 0.777 nan 8.370 nan 0.000 0.472 241 E N -0.070 120.123 120.200 -0.011 0.000 2.112 241 E HA -0.014 4.335 4.350 -0.000 0.000 0.190 241 E C 1.715 178.312 176.600 -0.006 0.000 0.979 241 E CA 0.731 57.126 56.400 -0.009 0.000 0.814 241 E CB 0.122 29.816 29.700 -0.009 0.000 0.762 241 E HN 0.139 nan 8.360 nan 0.000 0.460 242 A N 0.581 123.399 122.820 -0.004 0.000 2.178 242 A HA 0.004 4.324 4.320 -0.000 0.000 0.211 242 A C 0.529 178.117 177.584 0.008 0.000 1.157 242 A CA 0.725 52.764 52.037 0.003 0.000 0.780 242 A CB 0.146 19.149 19.000 0.005 0.000 0.828 242 A HN 0.393 nan 8.150 nan 0.000 0.476 243 D N -0.844 119.558 120.400 0.003 0.000 2.718 243 D HA -0.124 4.516 4.640 -0.000 0.000 0.242 243 D C -0.104 176.206 176.300 0.017 0.000 1.123 243 D CA 1.044 55.046 54.000 0.003 0.000 0.690 243 D CB -1.758 39.042 40.800 0.000 0.000 1.059 243 D HN 0.969 nan 8.370 nan 0.000 0.429 244 V N -2.315 117.610 119.914 0.018 0.000 3.074 244 V HA 0.845 4.965 4.120 -0.000 0.000 0.314 244 V C 0.108 176.212 176.094 0.017 0.000 1.117 244 V CA -0.996 61.325 62.300 0.036 0.000 1.014 244 V CB 2.000 33.856 31.823 0.056 0.000 1.057 244 V HN 0.087 nan 8.190 nan 0.000 0.438 245 Q N 0.740 120.555 119.800 0.025 0.000 2.227 245 Q HA 0.674 5.014 4.340 -0.000 0.000 0.245 245 Q C -1.010 174.983 176.000 -0.011 0.000 0.926 245 Q CA -0.329 55.475 55.803 0.001 0.000 0.895 245 Q CB 1.774 30.511 28.738 -0.001 0.000 1.230 245 Q HN 0.812 nan 8.270 nan 0.000 0.450 246 V N 2.431 122.318 119.914 -0.045 0.000 2.417 246 V HA 0.824 4.944 4.120 -0.000 0.000 0.291 246 V C -0.466 175.520 176.094 -0.181 0.000 1.024 246 V CA -0.673 61.568 62.300 -0.098 0.000 0.861 246 V CB 1.200 32.969 31.823 -0.090 0.000 0.985 246 V HN 0.880 nan 8.190 nan 0.000 0.436 247 A N 5.452 128.062 122.820 -0.349 0.000 2.312 247 A HA 0.920 5.239 4.320 -0.000 0.000 0.328 247 A C -0.766 176.476 177.584 -0.571 0.000 1.158 247 A CA -0.579 51.011 52.037 -0.744 0.000 0.821 247 A CB 1.116 19.113 19.000 -1.673 0.000 1.170 247 A HN 0.888 nan 8.150 nan 0.000 0.490 248 I N 0.633 120.895 120.570 -0.513 0.000 2.582 248 I HA 0.412 4.582 4.170 -0.000 0.000 0.292 248 I C -0.949 175.105 176.117 -0.105 0.000 1.066 248 I CA -0.571 60.596 61.300 -0.222 0.000 1.053 248 I CB 1.877 39.813 38.000 -0.107 0.000 1.241 248 I HN 0.900 nan 8.210 nan 0.000 0.421 249 H N 6.235 125.260 119.070 -0.075 0.000 2.725 249 H HA 0.453 5.009 4.556 -0.000 0.000 0.283 249 H C -0.266 175.036 175.328 -0.044 0.000 1.110 249 H CA -0.584 55.477 56.048 0.021 0.000 1.289 249 H CB 0.826 30.579 29.762 -0.014 0.000 1.400 249 H HN 0.668 nan 8.280 nan 0.000 0.493 250 S N 2.606 118.354 115.700 0.080 0.000 2.617 250 S HA -0.046 4.424 4.470 -0.000 0.000 0.259 250 S C 0.440 174.950 174.600 -0.151 0.000 1.301 250 S CA -0.872 57.291 58.200 -0.063 0.000 0.984 250 S CB 1.005 64.130 63.200 -0.125 0.000 0.954 250 S HN 0.749 nan 8.310 nan 0.000 0.572 251 D N 0.686 120.869 120.400 -0.362 0.000 2.385 251 D HA 0.146 4.785 4.640 -0.000 0.000 0.260 251 D C 1.077 177.219 176.300 -0.265 0.000 1.326 251 D CA 0.151 54.017 54.000 -0.222 0.000 1.023 251 D CB -0.228 40.497 40.800 -0.125 0.000 1.083 251 D HN 0.559 nan 8.370 nan 0.000 0.517 252 T N 3.369 117.900 114.554 -0.038 0.000 2.720 252 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 252 T C 1.657 176.453 174.700 0.161 0.000 1.037 252 T CA 0.559 62.700 62.100 0.069 0.000 1.144 252 T CB 0.061 69.039 68.868 0.184 0.000 0.864 252 T HN 0.297 nan 8.240 nan 0.000 0.444 253 L N 1.480 122.804 121.223 0.168 0.000 2.551 253 L HA 0.138 4.478 4.340 -0.000 0.000 0.228 253 L C 0.857 177.818 176.870 0.152 0.000 1.153 253 L CA 0.658 55.602 54.840 0.174 0.000 0.851 253 L CB -1.327 40.803 42.059 0.118 0.000 0.959 253 L HN 0.314 nan 8.230 nan 0.000 0.451 254 N N -0.128 118.677 118.700 0.175 0.000 2.725 254 N HA -0.292 4.448 4.740 -0.000 0.000 0.249 254 N C 1.390 176.878 175.510 -0.037 0.000 1.103 254 N CA 1.127 54.265 53.050 0.147 0.000 0.707 254 N CB -0.996 37.618 38.487 0.212 0.000 1.043 254 N HN 0.593 nan 8.380 nan 0.000 0.553 255 E N 0.227 120.433 120.200 0.010 0.000 2.031 255 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 255 E C 1.536 178.106 176.600 -0.049 0.000 0.994 255 E CA 1.550 57.940 56.400 -0.017 0.000 0.800 255 E CB 0.023 29.731 29.700 0.013 0.000 0.752 255 E HN 0.478 nan 8.360 nan 0.000 0.447 256 A N -0.024 122.784 122.820 -0.019 0.000 2.303 256 A HA 0.431 4.751 4.320 -0.000 0.000 0.217 256 A C 0.632 178.185 177.584 -0.052 0.000 1.205 256 A CA 0.601 52.624 52.037 -0.024 0.000 0.875 256 A CB 0.806 19.816 19.000 0.017 0.000 0.910 256 A HN 0.346 nan 8.150 nan 0.000 0.501 257 G N -1.732 107.021 108.800 -0.077 0.000 2.466 257 G HA2 0.473 4.432 3.960 -0.000 0.000 0.291 257 G HA3 0.473 4.432 3.960 -0.000 0.000 0.291 257 G C -1.214 173.591 174.900 -0.158 0.000 1.460 257 G CA -0.700 44.326 45.100 -0.124 0.000 0.791 257 G HN -0.011 nan 8.290 nan 0.000 0.505 258 F N -0.586 119.331 119.950 -0.056 0.000 2.461 258 F HA 0.545 5.072 4.527 -0.000 0.000 0.337 258 F C 1.631 177.060 175.800 -0.617 0.000 1.079 258 F CA -0.807 57.058 58.000 -0.226 0.000 1.032 258 F CB 1.032 39.959 39.000 -0.121 0.000 1.327 258 F HN 0.414 nan 8.300 nan 0.000 0.491 259 L N 1.480 122.371 121.223 -0.553 0.000 2.021 259 L HA -0.233 4.106 4.340 -0.000 0.000 0.215 259 L C 2.428 179.157 176.870 -0.235 0.000 1.074 259 L CA 2.031 56.519 54.840 -0.587 0.000 0.760 259 L CB -0.952 40.968 42.059 -0.233 0.000 0.889 259 L HN 0.705 nan 8.230 nan 0.000 0.433 260 E N -1.218 118.925 120.200 -0.096 0.000 2.209 260 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 260 E C 1.525 178.108 176.600 -0.028 0.000 0.993 260 E CA 1.670 58.047 56.400 -0.038 0.000 0.819 260 E CB -0.832 28.873 29.700 0.008 0.000 0.745 260 E HN 0.645 nan 8.360 nan 0.000 0.477 261 D N 0.930 121.315 120.400 -0.025 0.000 2.149 261 D HA -0.069 4.570 4.640 -0.000 0.000 0.201 261 D C 1.756 178.059 176.300 0.004 0.000 0.972 261 D CA 1.637 55.634 54.000 -0.005 0.000 0.835 261 D CB -0.139 40.662 40.800 0.001 0.000 0.966 261 D HN 0.212 nan 8.370 nan 0.000 0.476 262 T N 1.686 116.247 114.554 0.012 0.000 2.746 262 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 262 T C 2.273 176.975 174.700 0.004 0.000 1.039 262 T CA 0.537 62.682 62.100 0.075 0.000 1.142 262 T CB -0.246 68.773 68.868 0.252 0.000 0.866 262 T HN 0.093 nan 8.240 nan 0.000 0.444 263 L N 0.350 121.545 121.223 -0.048 0.000 2.083 263 L HA -0.070 4.269 4.340 -0.000 0.000 0.209 263 L C 2.834 179.673 176.870 -0.052 0.000 1.083 263 L CA 1.283 56.068 54.840 -0.091 0.000 0.752 263 L CB -0.389 41.572 42.059 -0.162 0.000 0.899 263 L HN 0.149 nan 8.230 nan 0.000 0.433 264 R N -0.013 120.470 120.500 -0.027 0.000 2.075 264 R HA -0.146 4.193 4.340 -0.000 0.000 0.232 264 R C 2.351 178.645 176.300 -0.009 0.000 1.126 264 R CA 1.285 57.378 56.100 -0.012 0.000 0.963 264 R CB -0.209 30.090 30.300 -0.002 0.000 0.858 264 R HN 0.335 nan 8.270 nan 0.000 0.435 265 A N 1.040 123.857 122.820 -0.005 0.000 1.933 265 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 265 A C 2.110 179.686 177.584 -0.014 0.000 1.175 265 A CA 1.373 53.407 52.037 -0.004 0.000 0.628 265 A CB -0.503 18.500 19.000 0.006 0.000 0.814 265 A HN 0.352 nan 8.150 nan 0.000 0.444 266 I N -0.826 119.731 120.570 -0.021 0.000 2.208 266 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 266 I C 1.221 177.323 176.117 -0.025 0.000 1.097 266 I CA 1.343 62.626 61.300 -0.029 0.000 1.363 266 I CB -0.471 37.504 38.000 -0.043 0.000 1.051 266 I HN 0.629 nan 8.210 nan 0.000 0.413 267 N N 0.601 119.288 118.700 -0.022 0.000 2.758 267 N HA -0.218 4.521 4.740 -0.000 0.000 0.248 267 N C 0.844 176.348 175.510 -0.010 0.000 1.076 267 N CA 0.198 53.240 53.050 -0.013 0.000 0.696 267 N CB -0.843 37.638 38.487 -0.011 0.000 0.979 267 N HN 0.691 nan 8.380 nan 0.000 0.550 268 G N -0.427 108.367 108.800 -0.011 0.000 2.184 268 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.264 268 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.264 268 G C 0.257 175.152 174.900 -0.009 0.000 0.975 268 G CA 0.823 45.921 45.100 -0.003 0.000 0.642 268 G HN 0.622 nan 8.290 nan 0.000 0.536 269 R N -0.258 120.233 120.500 -0.017 0.000 2.679 269 R HA 0.459 4.799 4.340 -0.000 0.000 0.269 269 R C 0.791 177.078 176.300 -0.023 0.000 1.076 269 R CA -0.329 55.759 56.100 -0.020 0.000 1.160 269 R CB 0.828 31.114 30.300 -0.023 0.000 1.054 269 R HN 0.097 nan 8.270 nan 0.000 0.507 270 V N 3.391 123.291 119.914 -0.024 0.000 2.715 270 V HA 0.227 4.347 4.120 -0.000 0.000 0.299 270 V C 0.463 176.539 176.094 -0.030 0.000 1.054 270 V CA 0.282 62.566 62.300 -0.027 0.000 1.077 270 V CB 0.580 32.384 31.823 -0.030 0.000 0.972 270 V HN 0.608 nan 8.190 nan 0.000 0.484 271 I N 2.086 122.641 120.570 -0.027 0.000 2.785 271 I HA 0.329 4.499 4.170 -0.000 0.000 0.293 271 I C -0.792 175.333 176.117 0.013 0.000 1.446 271 I CA -0.557 60.727 61.300 -0.026 0.000 1.028 271 I CB 2.030 40.005 38.000 -0.042 0.000 1.349 271 I HN 0.834 nan 8.210 nan 0.000 0.438 272 H N 5.436 124.427 119.070 -0.132 0.000 2.652 272 H HA 0.329 4.885 4.556 -0.000 0.000 0.298 272 H C -0.672 174.561 175.328 -0.159 0.000 1.076 272 H CA -0.307 55.666 56.048 -0.125 0.000 1.360 272 H CB 1.125 30.799 29.762 -0.148 0.000 1.421 272 H HN 0.455 nan 8.280 nan 0.000 0.464 273 S N 6.348 122.165 115.700 0.195 0.000 2.399 273 S HA 0.151 4.621 4.470 -0.000 0.000 0.301 273 S C -0.345 174.364 174.600 0.182 0.000 1.093 273 S CA -0.785 57.466 58.200 0.085 0.000 1.077 273 S CB -0.356 62.887 63.200 0.071 0.000 0.980 273 S HN 0.402 nan 8.310 nan 0.000 0.494 274 F N 4.116 123.952 119.950 -0.190 0.000 2.490 274 F HA 0.201 4.728 4.527 -0.000 0.000 0.336 274 F C 1.418 176.962 175.800 -0.426 0.000 1.178 274 F CA -0.562 57.236 58.000 -0.336 0.000 1.301 274 F CB -0.260 38.395 39.000 -0.573 0.000 1.175 274 F HN 0.801 nan 8.300 nan 0.000 0.593 275 H N -0.954 118.285 119.070 0.281 0.000 2.000 275 H HA -0.147 4.408 4.556 -0.000 0.000 0.321 275 H C 0.742 176.112 175.328 0.069 0.000 0.878 275 H CA 0.399 56.517 56.048 0.116 0.000 1.061 275 H CB -1.853 27.937 29.762 0.045 0.000 1.579 275 H HN 0.341 nan 8.280 nan 0.000 0.316 276 V N 0.254 120.269 119.914 0.168 0.000 2.720 276 V HA -0.231 3.889 4.120 -0.000 0.000 0.256 276 V C 2.443 178.579 176.094 0.069 0.000 1.082 276 V CA 2.268 64.633 62.300 0.108 0.000 1.101 276 V CB -0.130 31.737 31.823 0.073 0.000 0.693 276 V HN 0.813 nan 8.190 nan 0.000 0.479 277 E N 0.251 120.487 120.200 0.059 0.000 2.110 277 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 277 E C 1.752 178.332 176.600 -0.034 0.000 0.988 277 E CA 1.364 57.763 56.400 -0.003 0.000 0.804 277 E CB -0.052 29.639 29.700 -0.014 0.000 0.745 277 E HN 0.711 nan 8.360 nan 0.000 0.458 278 G N -0.549 108.241 108.800 -0.015 0.000 2.201 278 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.212 278 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.212 278 G C 1.185 175.985 174.900 -0.166 0.000 0.994 278 G CA 0.741 45.789 45.100 -0.086 0.000 0.644 278 G HN 0.556 nan 8.290 nan 0.000 0.508 279 A N 0.532 123.267 122.820 -0.143 0.000 1.969 279 A HA 0.420 4.740 4.320 -0.000 0.000 0.218 279 A C 2.559 180.044 177.584 -0.165 0.000 1.169 279 A CA 2.290 54.245 52.037 -0.136 0.000 0.635 279 A CB -0.663 18.281 19.000 -0.093 0.000 0.810 279 A HN 1.526 nan 8.150 nan 0.000 0.445 280 G N -1.497 107.141 108.800 -0.270 0.000 2.712 280 G HA2 0.433 4.393 3.960 -0.000 0.000 0.212 280 G HA3 0.433 4.393 3.960 -0.000 0.000 0.212 280 G C 0.653 174.963 174.900 -0.984 0.000 1.142 280 G CA 0.780 45.560 45.100 -0.534 0.000 0.789 280 G HN 1.546 nan 8.290 nan 0.000 0.535 281 G N -2.335 105.990 108.800 -0.792 0.000 2.312 281 G HA2 0.583 4.543 3.960 -0.000 0.000 0.347 281 G HA3 0.583 4.543 3.960 -0.000 0.000 0.347 281 G C -0.338 174.270 174.900 -0.487 0.000 1.564 281 G CA 0.055 44.687 45.100 -0.781 0.000 0.981 281 G HN 1.782 nan 8.290 nan 0.000 0.678 282 G N 0.129 108.759 108.800 -0.283 0.000 2.402 282 G HA2 0.450 4.410 3.960 -0.000 0.000 0.666 282 G HA3 0.450 4.410 3.960 -0.000 0.000 0.666 282 G C -0.402 174.469 174.900 -0.049 0.000 1.402 282 G CA -0.295 44.722 45.100 -0.138 0.000 0.920 282 G HN 1.569 nan 8.290 nan 0.000 0.651 283 H N -0.086 119.009 119.070 0.041 0.000 3.199 283 H HA 0.176 4.732 4.556 -0.000 0.000 0.267 283 H C 1.165 176.504 175.328 0.019 0.000 0.848 283 H CA 1.564 57.652 56.048 0.068 0.000 1.426 283 H CB 0.157 29.970 29.762 0.086 0.000 1.350 283 H HN 1.093 nan 8.280 nan 0.000 0.527 284 A N 7.002 129.904 122.820 0.136 0.000 2.331 284 A HA 0.304 4.623 4.320 -0.000 0.000 0.283 284 A C -1.423 176.163 177.584 0.003 0.000 1.142 284 A CA -1.207 50.829 52.037 -0.002 0.000 0.812 284 A CB 0.747 19.726 19.000 -0.034 0.000 1.074 284 A HN 0.525 nan 8.150 nan 0.000 0.497 285 P HA 0.138 nan 4.420 nan 0.000 0.282 285 P C -0.461 176.720 177.300 -0.199 0.000 1.373 285 P CA 0.198 63.116 63.100 -0.303 0.000 1.001 285 P CB 0.554 31.819 31.700 -0.725 0.000 1.489 286 D N -0.424 119.927 120.400 -0.082 0.000 2.525 286 D HA 0.019 4.659 4.640 -0.000 0.000 0.229 286 D C 1.315 177.615 176.300 0.001 0.000 1.202 286 D CA -0.625 53.346 54.000 -0.048 0.000 0.828 286 D CB -0.457 40.316 40.800 -0.046 0.000 1.008 286 D HN 0.006 nan 8.370 nan 0.000 0.493 287 I N 0.208 120.794 120.570 0.026 0.000 2.361 287 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 287 I C 1.956 178.098 176.117 0.042 0.000 1.133 287 I CA 1.125 62.468 61.300 0.071 0.000 1.413 287 I CB -0.148 37.897 38.000 0.075 0.000 1.073 287 I HN 0.076 nan 8.210 nan 0.000 0.424 288 M N -0.074 119.532 119.600 0.010 0.000 2.446 288 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 288 M C 2.075 178.389 176.300 0.023 0.000 1.066 288 M CA 1.444 56.750 55.300 0.009 0.000 1.087 288 M CB -0.165 32.423 32.600 -0.020 0.000 1.406 288 M HN 0.374 nan 8.290 nan 0.000 0.459 289 A N 0.562 123.402 122.820 0.034 0.000 2.024 289 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 289 A C 2.000 179.672 177.584 0.148 0.000 1.164 289 A CA 1.507 53.585 52.037 0.068 0.000 0.643 289 A CB -0.612 18.429 19.000 0.068 0.000 0.806 289 A HN 0.559 nan 8.150 nan 0.000 0.451 290 M N -0.465 119.200 119.600 0.108 0.000 2.143 290 M HA -0.248 4.232 4.480 -0.000 0.000 0.258 290 M C 2.281 178.677 176.300 0.160 0.000 1.071 290 M CA 1.697 57.061 55.300 0.107 0.000 1.088 290 M CB -1.272 31.353 32.600 0.042 0.000 1.360 290 M HN 0.518 nan 8.290 nan 0.000 0.404 291 A N -0.399 122.476 122.820 0.091 0.000 2.248 291 A HA 0.140 4.460 4.320 -0.000 0.000 0.210 291 A C 2.182 179.790 177.584 0.039 0.000 1.174 291 A CA 1.391 53.455 52.037 0.045 0.000 0.750 291 A CB -1.053 17.942 19.000 -0.009 0.000 0.780 291 A HN 0.572 nan 8.150 nan 0.000 0.478 292 G N -1.773 107.067 108.800 0.067 0.000 2.838 292 G HA2 0.133 4.093 3.960 -0.000 0.000 0.210 292 G HA3 0.133 4.093 3.960 -0.000 0.000 0.210 292 G C 0.596 175.437 174.900 -0.098 0.000 1.153 292 G CA -0.225 44.849 45.100 -0.044 0.000 0.778 292 G HN 0.667 nan 8.290 nan 0.000 0.539 293 H N 0.449 119.507 119.070 -0.019 0.000 2.505 293 H HA 0.125 4.681 4.556 -0.000 0.000 0.351 293 H C -1.349 173.965 175.328 -0.022 0.000 1.151 293 H CA -1.472 54.565 56.048 -0.018 0.000 1.339 293 H CB 2.296 32.051 29.762 -0.013 0.000 1.483 293 H HN 0.001 nan 8.280 nan 0.000 0.558 294 P HA -0.119 nan 4.420 nan 0.000 0.222 294 P C 0.743 178.059 177.300 0.027 0.000 1.153 294 P CA 1.069 64.186 63.100 0.029 0.000 0.798 294 P CB 0.321 32.028 31.700 0.011 0.000 0.796 295 N N -0.319 118.410 118.700 0.047 0.000 2.270 295 N HA 0.045 4.785 4.740 -0.000 0.000 0.198 295 N C -0.142 175.372 175.510 0.006 0.000 1.117 295 N CA -0.036 53.023 53.050 0.015 0.000 0.845 295 N CB -0.102 38.391 38.487 0.010 0.000 0.980 295 N HN -0.022 nan 8.380 nan 0.000 0.486 296 V N 1.699 121.628 119.914 0.024 0.000 2.435 296 V HA 0.348 4.468 4.120 -0.000 0.000 0.290 296 V C 0.028 176.116 176.094 -0.009 0.000 1.030 296 V CA -0.779 61.528 62.300 0.012 0.000 0.881 296 V CB 1.867 33.712 31.823 0.036 0.000 0.983 296 V HN 0.111 nan 8.190 nan 0.000 0.445 297 L N 7.837 129.041 121.223 -0.031 0.000 2.283 297 L HA 0.439 4.779 4.340 -0.000 0.000 0.281 297 L C -2.421 174.412 176.870 -0.062 0.000 1.033 297 L CA -1.546 53.237 54.840 -0.095 0.000 0.848 297 L CB 1.458 43.399 42.059 -0.196 0.000 1.226 297 L HN 0.417 nan 8.230 nan 0.000 0.429 298 P HA 0.233 nan 4.420 nan 0.000 0.292 298 P C -0.802 176.542 177.300 0.073 0.000 1.287 298 P CA -0.305 62.822 63.100 0.047 0.000 0.800 298 P CB 1.735 33.436 31.700 0.003 0.000 0.945 299 S N 1.587 117.416 115.700 0.215 0.000 2.599 299 S HA 0.684 5.154 4.470 -0.000 0.000 0.294 299 S C -0.280 174.448 174.600 0.214 0.000 1.094 299 S CA -0.689 57.658 58.200 0.245 0.000 0.931 299 S CB 1.216 64.679 63.200 0.438 0.000 1.093 299 S HN 0.268 nan 8.310 nan 0.000 0.488 300 S N 1.420 117.256 115.700 0.226 0.000 2.608 300 S HA 0.766 5.235 4.470 -0.000 0.000 0.291 300 S C 0.366 175.043 174.600 0.129 0.000 1.146 300 S CA -0.694 57.631 58.200 0.210 0.000 1.043 300 S CB 1.406 64.804 63.200 0.330 0.000 1.037 300 S HN 0.988 nan 8.310 nan 0.000 0.520 301 T N -0.119 114.489 114.554 0.089 0.000 2.862 301 T HA 0.323 4.673 4.350 -0.000 0.000 0.276 301 T C 0.797 175.498 174.700 0.003 0.000 0.974 301 T CA -0.714 61.375 62.100 -0.020 0.000 0.966 301 T CB 0.366 69.177 68.868 -0.094 0.000 1.072 301 T HN 0.583 nan 8.240 nan 0.000 0.538 302 N N -0.988 117.694 118.700 -0.030 0.000 2.299 302 N HA 0.168 4.908 4.740 -0.000 0.000 0.187 302 N C -1.776 173.747 175.510 0.020 0.000 1.099 302 N CA -0.802 52.239 53.050 -0.014 0.000 0.867 302 N CB -0.934 37.527 38.487 -0.043 0.000 0.974 302 N HN 0.339 nan 8.380 nan 0.000 0.477 303 P HA -0.020 nan 4.420 nan 0.000 0.220 303 P C 1.097 178.535 177.300 0.230 0.000 1.152 303 P CA 1.603 64.793 63.100 0.150 0.000 0.812 303 P CB -0.186 31.608 31.700 0.156 0.000 0.792 304 T N -3.825 110.804 114.554 0.125 0.000 3.148 304 T HA 0.108 4.458 4.350 -0.000 0.000 0.253 304 T C 0.795 175.520 174.700 0.041 0.000 1.134 304 T CA -0.008 62.084 62.100 -0.014 0.000 1.051 304 T CB -0.372 68.447 68.868 -0.081 0.000 0.959 304 T HN -0.096 nan 8.240 nan 0.000 0.525 305 R N 2.640 123.169 120.500 0.049 0.000 2.255 305 R HA 0.470 4.810 4.340 -0.000 0.000 0.326 305 R C -2.758 173.564 176.300 0.037 0.000 0.986 305 R CA -2.337 53.784 56.100 0.035 0.000 0.847 305 R CB 1.202 31.492 30.300 -0.017 0.000 1.111 305 R HN 0.290 nan 8.270 nan 0.000 0.452 306 P HA 0.227 nan 4.420 nan 0.000 0.310 306 P C -0.624 176.773 177.300 0.161 0.000 1.309 306 P CA -0.743 62.415 63.100 0.096 0.000 0.769 306 P CB 0.521 32.272 31.700 0.085 0.000 1.327 307 F N 1.458 121.411 119.950 0.004 0.000 2.471 307 F HA 0.362 4.889 4.527 -0.000 0.000 0.365 307 F C 0.242 176.042 175.800 -0.001 0.000 1.095 307 F CA 0.146 58.139 58.000 -0.010 0.000 1.174 307 F CB -0.612 38.385 39.000 -0.006 0.000 1.105 307 F HN 0.286 nan 8.300 nan 0.000 0.535 308 T N 2.306 116.780 114.554 -0.135 0.000 2.888 308 T HA 0.445 4.795 4.350 -0.000 0.000 0.288 308 T C 0.955 175.476 174.700 -0.299 0.000 1.063 308 T CA -0.166 61.796 62.100 -0.230 0.000 1.010 308 T CB 1.095 69.923 68.868 -0.067 0.000 1.214 308 T HN 0.577 nan 8.240 nan 0.000 0.533 309 V N -0.375 119.412 119.914 -0.212 0.000 2.759 309 V HA 0.036 4.155 4.120 -0.000 0.000 0.256 309 V C 1.753 177.809 176.094 -0.064 0.000 1.080 309 V CA 1.287 63.491 62.300 -0.160 0.000 1.101 309 V CB -1.115 30.643 31.823 -0.110 0.000 0.698 309 V HN 0.786 nan 8.190 nan 0.000 0.477 310 N N 0.415 119.099 118.700 -0.027 0.000 2.373 310 N HA 0.008 4.748 4.740 -0.000 0.000 0.181 310 N C 1.700 177.251 175.510 0.069 0.000 1.082 310 N CA 1.157 54.219 53.050 0.020 0.000 0.885 310 N CB 0.116 38.615 38.487 0.020 0.000 0.977 310 N HN 0.548 nan 8.380 nan 0.000 0.462 311 T N 2.187 116.791 114.554 0.083 0.000 2.597 311 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 311 T C 1.931 176.735 174.700 0.174 0.000 1.053 311 T CA 0.896 63.086 62.100 0.150 0.000 1.165 311 T CB 0.009 68.971 68.868 0.157 0.000 0.863 311 T HN 0.107 nan 8.240 nan 0.000 0.427 312 I N 1.719 122.373 120.570 0.139 0.000 2.202 312 I HA -0.113 4.057 4.170 -0.000 0.000 0.242 312 I C 2.261 178.444 176.117 0.111 0.000 1.091 312 I CA 1.314 62.682 61.300 0.112 0.000 1.368 312 I CB -1.325 36.746 38.000 0.118 0.000 1.058 312 I HN 0.197 nan 8.210 nan 0.000 0.410 313 D N 0.710 121.163 120.400 0.089 0.000 2.116 313 D HA -0.245 4.395 4.640 -0.000 0.000 0.193 313 D C 2.098 178.440 176.300 0.070 0.000 0.998 313 D CA 1.447 55.486 54.000 0.064 0.000 0.836 313 D CB -0.180 40.646 40.800 0.044 0.000 0.951 313 D HN 0.507 nan 8.370 nan 0.000 0.449 314 E N -0.112 120.147 120.200 0.098 0.000 2.047 314 E HA -0.207 4.143 4.350 -0.000 0.000 0.191 314 E C 1.868 178.492 176.600 0.041 0.000 0.987 314 E CA 0.988 57.428 56.400 0.066 0.000 0.799 314 E CB -0.025 29.721 29.700 0.076 0.000 0.752 314 E HN 0.334 nan 8.360 nan 0.000 0.449 315 H N 0.589 119.654 119.070 -0.007 0.000 2.326 315 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 315 H C 2.189 177.496 175.328 -0.035 0.000 1.081 315 H CA 1.561 57.593 56.048 -0.026 0.000 1.334 315 H CB -0.240 29.503 29.762 -0.032 0.000 1.385 315 H HN 0.125 nan 8.280 nan 0.000 0.504 316 L N -0.110 121.172 121.223 0.098 0.000 1.990 316 L HA -0.248 4.092 4.340 -0.000 0.000 0.213 316 L C 2.196 179.075 176.870 0.015 0.000 1.072 316 L CA 1.935 56.796 54.840 0.036 0.000 0.755 316 L CB -0.376 41.702 42.059 0.033 0.000 0.889 316 L HN 0.279 nan 8.230 nan 0.000 0.432 317 D N -0.542 119.865 120.400 0.011 0.000 2.097 317 D HA -0.258 4.382 4.640 -0.000 0.000 0.195 317 D C 2.292 178.575 176.300 -0.030 0.000 0.989 317 D CA 1.159 55.155 54.000 -0.006 0.000 0.827 317 D CB 0.005 40.800 40.800 -0.008 0.000 0.966 317 D HN 0.169 nan 8.370 nan 0.000 0.456 318 M N -0.297 119.267 119.600 -0.060 0.000 2.106 318 M HA -0.198 4.281 4.480 -0.000 0.000 0.259 318 M C 1.891 178.156 176.300 -0.058 0.000 1.068 318 M CA 1.254 56.497 55.300 -0.095 0.000 1.100 318 M CB -0.100 32.382 32.600 -0.197 0.000 1.351 318 M HN 0.195 nan 8.290 nan 0.000 0.404 319 L N 0.485 121.682 121.223 -0.045 0.000 2.046 319 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 319 L C 2.173 179.063 176.870 0.033 0.000 1.077 319 L CA 1.924 56.748 54.840 -0.026 0.000 0.747 319 L CB -0.432 41.586 42.059 -0.069 0.000 0.896 319 L HN 0.381 nan 8.230 nan 0.000 0.432 320 M N -1.714 117.903 119.600 0.028 0.000 2.419 320 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 320 M C 1.924 178.232 176.300 0.014 0.000 1.082 320 M CA 1.310 56.641 55.300 0.053 0.000 1.119 320 M CB -0.045 32.583 32.600 0.046 0.000 1.398 320 M HN 0.353 nan 8.290 nan 0.000 0.453 321 V N -3.899 115.994 119.914 -0.034 0.000 2.535 321 V HA -0.121 3.999 4.120 -0.000 0.000 0.246 321 V C 2.020 178.006 176.094 -0.179 0.000 1.045 321 V CA 1.077 63.305 62.300 -0.120 0.000 1.058 321 V CB -1.150 30.609 31.823 -0.106 0.000 0.689 321 V HN 0.475 nan 8.190 nan 0.000 0.461 322 C N 0.814 120.089 119.300 -0.041 0.000 2.432 322 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 322 C C 2.583 177.670 174.990 0.161 0.000 1.249 322 C CA 1.517 60.555 59.018 0.034 0.000 1.725 322 C CB -1.651 26.175 27.740 0.144 0.000 2.028 322 C HN 0.676 nan 8.230 nan 0.000 0.477 323 H N -1.259 117.858 119.070 0.078 0.000 2.526 323 H HA 0.028 4.584 4.556 -0.000 0.000 0.274 323 H C -0.072 175.418 175.328 0.269 0.000 0.999 323 H CA 0.119 56.271 56.048 0.174 0.000 1.157 323 H CB -0.032 29.802 29.762 0.120 0.000 1.407 323 H HN 0.615 nan 8.280 nan 0.000 0.568 324 H N -0.604 118.519 119.070 0.088 0.000 2.626 324 H HA -0.151 4.404 4.556 -0.000 0.000 0.317 324 H C -0.209 175.147 175.328 0.047 0.000 1.140 324 H CA 0.208 56.281 56.048 0.041 0.000 1.134 324 H CB -2.596 27.168 29.762 0.002 0.000 1.486 324 H HN 0.347 nan 8.280 nan 0.000 0.417 325 L N -0.244 121.068 121.223 0.148 0.000 2.439 325 L HA 0.231 4.571 4.340 -0.000 0.000 0.269 325 L C 0.869 177.788 176.870 0.081 0.000 1.179 325 L CA 0.079 54.990 54.840 0.118 0.000 0.828 325 L CB 0.541 42.685 42.059 0.142 0.000 1.106 325 L HN 0.118 nan 8.230 nan 0.000 0.467 326 K N 2.241 122.682 120.400 0.069 0.000 2.367 326 K HA 0.166 4.486 4.320 -0.000 0.000 0.263 326 K C 0.983 177.611 176.600 0.047 0.000 1.000 326 K CA -0.392 55.925 56.287 0.051 0.000 0.891 326 K CB 0.895 33.420 32.500 0.043 0.000 1.117 326 K HN 0.577 nan 8.250 nan 0.000 0.443 327 N N 2.953 121.678 118.700 0.041 0.000 2.249 327 N HA -0.445 4.295 4.740 -0.000 0.000 0.201 327 N C 0.772 176.303 175.510 0.034 0.000 0.970 327 N CA 2.482 55.554 53.050 0.036 0.000 0.925 327 N CB -0.473 38.035 38.487 0.034 0.000 1.046 327 N HN 0.769 nan 8.380 nan 0.000 0.526 328 N N 0.713 119.431 118.700 0.032 0.000 2.336 328 N HA 0.042 4.782 4.740 -0.000 0.000 0.177 328 N C 0.502 176.029 175.510 0.029 0.000 1.018 328 N CA 0.037 53.103 53.050 0.027 0.000 0.878 328 N CB 0.008 38.509 38.487 0.023 0.000 0.997 328 N HN 0.155 nan 8.380 nan 0.000 0.433 329 I N 1.888 122.478 120.570 0.034 0.000 2.371 329 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 329 I C -1.498 174.647 176.117 0.046 0.000 1.028 329 I CA -2.113 59.209 61.300 0.035 0.000 1.345 329 I CB 1.584 39.605 38.000 0.034 0.000 1.407 329 I HN -0.018 nan 8.210 nan 0.000 0.501 330 P HA -0.035 nan 4.420 nan 0.000 0.224 330 P C 0.931 178.270 177.300 0.065 0.000 1.157 330 P CA 0.986 64.115 63.100 0.049 0.000 0.799 330 P CB 0.361 32.085 31.700 0.040 0.000 0.809 331 E N 0.047 120.284 120.200 0.062 0.000 2.107 331 E HA -0.131 4.218 4.350 -0.000 0.000 0.191 331 E C 1.655 178.322 176.600 0.112 0.000 0.982 331 E CA 1.046 57.493 56.400 0.078 0.000 0.809 331 E CB -0.705 29.026 29.700 0.051 0.000 0.756 331 E HN 0.204 nan 8.360 nan 0.000 0.459 332 D N -0.278 120.179 120.400 0.095 0.000 2.117 332 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 332 D C 1.913 178.323 176.300 0.184 0.000 0.982 332 D CA 0.720 54.801 54.000 0.136 0.000 0.828 332 D CB -0.174 40.684 40.800 0.096 0.000 0.967 332 D HN 0.027 nan 8.370 nan 0.000 0.464 333 V N 1.248 121.235 119.914 0.122 0.000 2.358 333 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 333 V C 2.468 178.625 176.094 0.105 0.000 1.047 333 V CA 1.671 64.031 62.300 0.100 0.000 1.035 333 V CB -0.706 31.158 31.823 0.068 0.000 0.658 333 V HN 0.176 nan 8.190 nan 0.000 0.452 334 A N -0.298 122.592 122.820 0.118 0.000 1.933 334 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 334 A C 2.098 179.770 177.584 0.146 0.000 1.175 334 A CA 1.963 54.070 52.037 0.117 0.000 0.628 334 A CB -0.661 18.407 19.000 0.113 0.000 0.814 334 A HN 0.582 nan 8.150 nan 0.000 0.444 335 F N 1.093 121.064 119.950 0.036 0.000 2.113 335 F HA 0.004 4.531 4.527 -0.000 0.000 0.297 335 F C 2.443 178.242 175.800 -0.001 0.000 1.103 335 F CA 1.202 59.216 58.000 0.023 0.000 1.248 335 F CB -0.583 38.430 39.000 0.022 0.000 0.999 335 F HN 0.243 nan 8.300 nan 0.000 0.475 336 A N 0.457 123.227 122.820 -0.083 0.000 1.873 336 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 336 A C 1.931 179.403 177.584 -0.187 0.000 1.193 336 A CA 2.277 54.187 52.037 -0.210 0.000 0.629 336 A CB -1.234 17.768 19.000 0.002 0.000 0.826 336 A HN 0.503 nan 8.150 nan 0.000 0.447 337 D N -0.443 119.921 120.400 -0.059 0.000 2.219 337 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 337 D C 2.299 178.620 176.300 0.034 0.000 0.970 337 D CA 1.489 55.491 54.000 0.003 0.000 0.851 337 D CB -0.215 40.613 40.800 0.047 0.000 0.943 337 D HN 0.601 nan 8.370 nan 0.000 0.488 338 S N -0.539 115.140 115.700 -0.034 0.000 2.527 338 S HA -0.011 4.459 4.470 -0.000 0.000 0.222 338 S C 1.825 176.270 174.600 -0.258 0.000 0.985 338 S CA 0.212 58.380 58.200 -0.054 0.000 0.921 338 S CB 0.339 63.534 63.200 -0.008 0.000 0.772 338 S HN 0.114 nan 8.310 nan 0.000 0.529 339 R N -0.033 120.269 120.500 -0.330 0.000 2.195 339 R HA 0.368 4.708 4.340 -0.000 0.000 0.197 339 R C -0.217 175.920 176.300 -0.273 0.000 0.990 339 R CA 0.236 56.107 56.100 -0.382 0.000 1.048 339 R CB 0.299 30.215 30.300 -0.639 0.000 0.997 339 R HN 0.307 nan 8.270 nan 0.000 0.502 340 I N 3.148 123.595 120.570 -0.205 0.000 2.347 340 I HA 0.308 4.478 4.170 -0.000 0.000 0.283 340 I C -0.840 175.221 176.117 -0.093 0.000 1.058 340 I CA -0.257 60.963 61.300 -0.134 0.000 1.202 340 I CB 1.088 39.044 38.000 -0.074 0.000 1.386 340 I HN 0.158 nan 8.210 nan 0.000 0.475 341 R N 7.473 127.897 120.500 -0.125 0.000 2.480 341 R HA 0.391 4.731 4.340 -0.000 0.000 0.306 341 R C -1.765 174.448 176.300 -0.145 0.000 0.958 341 R CA -1.411 54.648 56.100 -0.068 0.000 0.861 341 R CB 1.999 32.246 30.300 -0.089 0.000 1.171 341 R HN 0.200 nan 8.270 nan 0.000 0.445 342 P HA -0.143 nan 4.420 nan 0.000 0.217 342 P C 0.245 177.349 177.300 -0.327 0.000 1.150 342 P CA 1.237 64.183 63.100 -0.256 0.000 0.832 342 P CB 0.463 32.159 31.700 -0.008 0.000 0.787 343 E N -0.272 119.854 120.200 -0.123 0.000 2.110 343 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 343 E C 2.026 178.550 176.600 -0.126 0.000 0.988 343 E CA 2.111 58.464 56.400 -0.079 0.000 0.804 343 E CB -1.364 28.359 29.700 0.039 0.000 0.745 343 E HN 0.427 nan 8.360 nan 0.000 0.458 344 T N -1.939 112.525 114.554 -0.150 0.000 3.044 344 T HA 0.134 4.484 4.350 -0.000 0.000 0.255 344 T C 1.965 176.546 174.700 -0.198 0.000 1.073 344 T CA 0.132 62.145 62.100 -0.145 0.000 1.125 344 T CB -0.187 68.599 68.868 -0.137 0.000 0.908 344 T HN 0.026 nan 8.240 nan 0.000 0.480 345 I N 1.837 122.215 120.570 -0.321 0.000 2.353 345 I HA 0.010 4.179 4.170 -0.000 0.000 0.248 345 I C 3.124 178.990 176.117 -0.419 0.000 1.119 345 I CA 1.048 62.122 61.300 -0.377 0.000 1.417 345 I CB -0.435 37.260 38.000 -0.508 0.000 1.078 345 I HN 0.320 nan 8.210 nan 0.000 0.421 346 A N 0.724 123.171 122.820 -0.622 0.000 1.930 346 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 346 A C 2.493 180.031 177.584 -0.077 0.000 1.175 346 A CA 1.668 53.520 52.037 -0.309 0.000 0.627 346 A CB -0.667 18.197 19.000 -0.227 0.000 0.815 346 A HN 0.412 nan 8.150 nan 0.000 0.443 347 A N -0.452 122.310 122.820 -0.096 0.000 2.014 347 A HA -0.088 4.231 4.320 -0.000 0.000 0.218 347 A C 1.956 179.532 177.584 -0.014 0.000 1.163 347 A CA 1.507 53.523 52.037 -0.035 0.000 0.652 347 A CB -0.422 18.553 19.000 -0.041 0.000 0.808 347 A HN 0.675 nan 8.150 nan 0.000 0.449 348 E N 0.106 120.290 120.200 -0.027 0.000 2.110 348 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 348 E C 1.118 177.795 176.600 0.128 0.000 0.988 348 E CA 1.329 57.744 56.400 0.025 0.000 0.804 348 E CB -0.129 29.586 29.700 0.024 0.000 0.745 348 E HN 0.511 nan 8.360 nan 0.000 0.458 349 D N 0.595 121.071 120.400 0.126 0.000 2.092 349 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 349 D C 2.028 178.440 176.300 0.187 0.000 0.994 349 D CA 1.280 55.391 54.000 0.184 0.000 0.828 349 D CB -0.265 40.637 40.800 0.170 0.000 0.963 349 D HN 0.319 nan 8.370 nan 0.000 0.450 350 I N 0.437 121.081 120.570 0.124 0.000 2.252 350 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 350 I C 2.338 178.503 176.117 0.079 0.000 1.102 350 I CA 0.602 61.965 61.300 0.106 0.000 1.385 350 I CB -0.174 37.870 38.000 0.074 0.000 1.064 350 I HN -0.021 nan 8.210 nan 0.000 0.414 351 L N -0.386 120.855 121.223 0.029 0.000 2.191 351 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 351 L C 2.455 179.269 176.870 -0.094 0.000 1.103 351 L CA 1.384 56.199 54.840 -0.041 0.000 0.769 351 L CB -0.908 41.093 42.059 -0.097 0.000 0.908 351 L HN 0.302 nan 8.230 nan 0.000 0.438 352 H N -0.819 118.241 119.070 -0.015 0.000 2.357 352 H HA -0.178 4.378 4.556 -0.000 0.000 0.301 352 H C 1.924 177.160 175.328 -0.154 0.000 1.082 352 H CA 1.618 57.603 56.048 -0.106 0.000 1.342 352 H CB 0.153 29.869 29.762 -0.076 0.000 1.389 352 H HN 0.214 nan 8.280 nan 0.000 0.511 353 D N -0.205 120.292 120.400 0.161 0.000 2.219 353 D HA -0.078 4.562 4.640 -0.000 0.000 0.205 353 D C 1.542 177.934 176.300 0.152 0.000 0.970 353 D CA 0.596 54.728 54.000 0.221 0.000 0.851 353 D CB 0.078 41.037 40.800 0.264 0.000 0.943 353 D HN 0.311 nan 8.370 nan 0.000 0.488 354 L N -1.349 119.930 121.223 0.093 0.000 2.509 354 L HA 0.235 4.575 4.340 -0.000 0.000 0.222 354 L C 1.492 178.404 176.870 0.069 0.000 1.123 354 L CA 0.476 55.368 54.840 0.087 0.000 0.856 354 L CB 0.083 42.174 42.059 0.053 0.000 0.985 354 L HN 0.223 nan 8.230 nan 0.000 0.456 355 G N 0.206 109.015 108.800 0.014 0.000 2.132 355 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.234 355 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.234 355 G C 0.660 175.540 174.900 -0.033 0.000 0.989 355 G CA 0.354 45.454 45.100 0.001 0.000 0.676 355 G HN 0.355 nan 8.290 nan 0.000 0.522 356 I N -0.254 120.276 120.570 -0.067 0.000 2.867 356 I HA 0.283 4.453 4.170 -0.000 0.000 0.265 356 I C 1.235 177.270 176.117 -0.135 0.000 1.162 356 I CA 0.555 61.807 61.300 -0.080 0.000 1.471 356 I CB 0.130 38.092 38.000 -0.062 0.000 1.123 356 I HN 0.158 nan 8.210 nan 0.000 0.440 357 I N 0.245 120.660 120.570 -0.258 0.000 2.321 357 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 357 I C 0.859 176.840 176.117 -0.226 0.000 0.998 357 I CA 0.059 61.155 61.300 -0.339 0.000 1.227 357 I CB 1.695 39.275 38.000 -0.700 0.000 1.368 357 I HN -0.080 nan 8.210 nan 0.000 0.466 358 S N 5.598 121.235 115.700 -0.105 0.000 2.503 358 S HA 0.331 4.800 4.470 -0.000 0.000 0.217 358 S C 0.404 174.994 174.600 -0.017 0.000 0.999 358 S CA 0.336 58.498 58.200 -0.064 0.000 0.914 358 S CB 0.160 63.312 63.200 -0.080 0.000 0.782 358 S HN 0.537 nan 8.310 nan 0.000 0.520 359 M N 0.837 120.465 119.600 0.045 0.000 2.550 359 M HA 0.491 4.971 4.480 -0.000 0.000 0.292 359 M C -1.226 175.187 176.300 0.188 0.000 1.221 359 M CA -0.356 54.993 55.300 0.083 0.000 0.873 359 M CB 2.119 34.742 32.600 0.040 0.000 1.727 359 M HN 0.022 nan 8.290 nan 0.000 0.459 360 M N 1.043 120.730 119.600 0.146 0.000 2.705 360 M HA 0.739 5.219 4.480 -0.000 0.000 0.311 360 M C -0.398 175.972 176.300 0.117 0.000 1.214 360 M CA -0.382 54.988 55.300 0.117 0.000 0.920 360 M CB 2.076 34.706 32.600 0.050 0.000 1.687 360 M HN 0.882 nan 8.290 nan 0.000 0.481 361 S N -0.942 114.799 115.700 0.068 0.000 2.636 361 S HA 0.544 5.014 4.470 -0.000 0.000 0.268 361 S C 0.229 174.808 174.600 -0.035 0.000 1.159 361 S CA -0.018 58.207 58.200 0.041 0.000 0.815 361 S CB 1.352 64.582 63.200 0.050 0.000 1.130 361 S HN 0.761 nan 8.310 nan 0.000 0.471 362 T N -2.507 112.012 114.554 -0.058 0.000 2.925 362 T HA 0.236 4.585 4.350 -0.000 0.000 0.245 362 T C 0.479 175.071 174.700 -0.180 0.000 1.025 362 T CA 1.276 63.321 62.100 -0.091 0.000 1.149 362 T CB -0.742 68.089 68.868 -0.060 0.000 0.866 362 T HN 0.981 nan 8.240 nan 0.000 0.437 363 D N 1.290 121.534 120.400 -0.260 0.000 3.027 363 D HA -0.113 4.527 4.640 -0.000 0.000 0.219 363 D C 0.183 176.458 176.300 -0.041 0.000 1.110 363 D CA 0.718 54.504 54.000 -0.357 0.000 0.841 363 D CB -1.723 38.774 40.800 -0.504 0.000 1.096 363 D HN 0.942 nan 8.370 nan 0.000 0.435 364 A N 0.477 123.298 122.820 0.002 0.000 2.592 364 A HA 0.238 4.558 4.320 -0.000 0.000 0.250 364 A C 1.897 179.467 177.584 -0.024 0.000 1.017 364 A CA 1.232 53.259 52.037 -0.017 0.000 0.794 364 A CB -0.224 18.758 19.000 -0.030 0.000 0.917 364 A HN 1.068 nan 8.150 nan 0.000 0.515 365 L N -0.254 120.921 121.223 -0.079 0.000 4.625 365 L HA -0.305 4.034 4.340 -0.000 0.000 0.428 365 L C 0.875 177.626 176.870 -0.199 0.000 1.129 365 L CA 0.952 55.731 54.840 -0.101 0.000 0.978 365 L CB -1.639 40.392 42.059 -0.046 0.000 2.043 365 L HN 1.263 nan 8.230 nan 0.000 0.847 366 A N -0.186 122.444 122.820 -0.316 0.000 3.365 366 A HA 0.639 4.959 4.320 -0.000 0.000 0.258 366 A C 0.609 178.056 177.584 -0.228 0.000 0.964 366 A CA 0.455 52.242 52.037 -0.416 0.000 0.988 366 A CB 0.600 18.938 19.000 -1.104 0.000 1.193 366 A HN 0.354 nan 8.150 nan 0.000 0.508 367 M N -0.977 118.529 119.600 -0.156 0.000 2.665 367 M HA -0.149 4.331 4.480 -0.000 0.000 0.217 367 M C 0.038 176.261 176.300 -0.128 0.000 0.487 367 M CA 1.034 56.256 55.300 -0.129 0.000 0.657 367 M CB -0.908 31.641 32.600 -0.086 0.000 2.412 367 M HN 1.362 nan 8.290 nan 0.000 0.767 368 G N 0.875 109.599 108.800 -0.127 0.000 2.655 368 G HA2 0.631 4.590 3.960 -0.000 0.000 0.296 368 G HA3 0.631 4.590 3.960 -0.000 0.000 0.296 368 G C -1.483 173.361 174.900 -0.094 0.000 1.485 368 G CA -1.088 43.944 45.100 -0.112 0.000 0.869 368 G HN 0.274 nan 8.290 nan 0.000 0.540 369 R N 1.048 121.500 120.500 -0.080 0.000 2.295 369 R HA 0.541 4.881 4.340 -0.000 0.000 0.324 369 R C 1.141 177.403 176.300 -0.063 0.000 0.968 369 R CA -0.106 55.950 56.100 -0.073 0.000 0.837 369 R CB 1.953 32.206 30.300 -0.078 0.000 1.133 369 R HN 0.617 nan 8.270 nan 0.000 0.450 370 A N 2.641 125.428 122.820 -0.055 0.000 2.019 370 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 370 A C 1.537 179.097 177.584 -0.041 0.000 1.164 370 A CA 1.644 53.654 52.037 -0.045 0.000 0.644 370 A CB -0.061 18.916 19.000 -0.038 0.000 0.805 370 A HN 0.822 nan 8.150 nan 0.000 0.449 371 G N -1.345 107.430 108.800 -0.042 0.000 3.690 371 G HA2 0.383 4.342 3.960 -0.000 0.000 0.283 371 G HA3 0.383 4.342 3.960 -0.000 0.000 0.283 371 G C 0.464 175.350 174.900 -0.024 0.000 1.057 371 G CA 0.075 45.159 45.100 -0.026 0.000 0.821 371 G HN 0.519 nan 8.290 nan 0.000 0.526 372 E N -0.335 119.836 120.200 -0.048 0.000 2.676 372 E HA 0.147 4.497 4.350 -0.000 0.000 0.222 372 E C 1.748 178.301 176.600 -0.079 0.000 0.968 372 E CA -0.340 56.027 56.400 -0.056 0.000 1.090 372 E CB 0.457 30.116 29.700 -0.070 0.000 1.066 372 E HN 0.403 nan 8.360 nan 0.000 0.496 373 M N 0.751 120.296 119.600 -0.092 0.000 2.065 373 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 373 M C 1.885 178.035 176.300 -0.250 0.000 1.069 373 M CA 1.709 56.934 55.300 -0.125 0.000 1.110 373 M CB 0.061 32.608 32.600 -0.089 0.000 1.328 373 M HN -0.000 nan 8.290 nan 0.000 0.405 374 V N 0.749 120.459 119.914 -0.340 0.000 2.358 374 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 374 V C 2.395 178.339 176.094 -0.250 0.000 1.047 374 V CA 1.648 63.605 62.300 -0.573 0.000 1.035 374 V CB -0.937 30.601 31.823 -0.475 0.000 0.658 374 V HN 0.581 nan 8.190 nan 0.000 0.452 375 L N 0.403 121.556 121.223 -0.117 0.000 1.989 375 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 375 L C 2.593 179.454 176.870 -0.015 0.000 1.071 375 L CA 2.071 56.897 54.840 -0.023 0.000 0.749 375 L CB -0.574 41.494 42.059 0.016 0.000 0.890 375 L HN 0.170 nan 8.230 nan 0.000 0.431 376 R N -1.603 118.860 120.500 -0.062 0.000 2.148 376 R HA -0.067 4.273 4.340 -0.000 0.000 0.223 376 R C 2.017 178.257 176.300 -0.102 0.000 1.088 376 R CA 1.357 57.424 56.100 -0.056 0.000 0.985 376 R CB -0.494 29.774 30.300 -0.053 0.000 0.880 376 R HN 0.431 nan 8.270 nan 0.000 0.451 377 T N -0.061 114.376 114.554 -0.194 0.000 2.708 377 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 377 T C 1.247 175.724 174.700 -0.371 0.000 1.037 377 T CA 1.404 63.337 62.100 -0.278 0.000 1.146 377 T CB -0.217 68.419 68.868 -0.386 0.000 0.865 377 T HN 0.440 nan 8.240 nan 0.000 0.435 378 W N 1.533 122.817 121.300 -0.026 0.000 2.436 378 W HA 0.008 4.668 4.660 -0.000 0.000 0.284 378 W C 2.689 179.146 176.519 -0.104 0.000 1.225 378 W CA 0.121 57.422 57.345 -0.074 0.000 1.271 378 W CB -0.339 29.091 29.460 -0.049 0.000 1.114 378 W HN 0.301 nan 8.180 nan 0.000 0.559 379 Q N -0.264 119.591 119.800 0.092 0.000 2.096 379 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 379 Q C 2.029 178.031 176.000 0.004 0.000 0.982 379 Q CA 2.312 58.144 55.803 0.048 0.000 0.850 379 Q CB -0.617 28.146 28.738 0.042 0.000 0.901 379 Q HN 0.223 nan 8.270 nan 0.000 0.422 380 T N 0.686 115.223 114.554 -0.028 0.000 2.737 380 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 380 T C 1.908 176.545 174.700 -0.104 0.000 1.038 380 T CA 1.184 63.281 62.100 -0.004 0.000 1.144 380 T CB -0.327 68.574 68.868 0.055 0.000 0.866 380 T HN 0.403 nan 8.240 nan 0.000 0.434 381 A N 1.583 124.140 122.820 -0.437 0.000 1.908 381 A HA -0.184 4.135 4.320 -0.000 0.000 0.218 381 A C 2.064 179.509 177.584 -0.231 0.000 1.181 381 A CA 2.223 53.796 52.037 -0.773 0.000 0.627 381 A CB -0.908 17.394 19.000 -1.164 0.000 0.818 381 A HN 0.592 nan 8.150 nan 0.000 0.445 382 D N -0.832 119.516 120.400 -0.087 0.000 2.144 382 D HA -0.182 4.458 4.640 -0.000 0.000 0.199 382 D C 1.971 178.274 176.300 0.004 0.000 0.984 382 D CA 1.628 55.620 54.000 -0.013 0.000 0.834 382 D CB -0.095 40.715 40.800 0.017 0.000 0.955 382 D HN 0.483 nan 8.370 nan 0.000 0.465 383 K N -0.583 119.823 120.400 0.010 0.000 2.057 383 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 383 K C 2.020 178.649 176.600 0.049 0.000 1.049 383 K CA 1.021 57.328 56.287 0.033 0.000 0.931 383 K CB 0.006 32.534 32.500 0.046 0.000 0.714 383 K HN 0.154 nan 8.250 nan 0.000 0.440 384 M N 1.156 120.788 119.600 0.055 0.000 2.117 384 M HA -0.158 4.322 4.480 -0.000 0.000 0.262 384 M C 2.161 178.506 176.300 0.075 0.000 1.065 384 M CA 1.549 56.902 55.300 0.088 0.000 1.114 384 M CB -0.800 31.887 32.600 0.144 0.000 1.361 384 M HN 0.163 nan 8.290 nan 0.000 0.408 385 K N 0.814 121.245 120.400 0.052 0.000 2.032 385 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 385 K C 1.929 178.565 176.600 0.060 0.000 1.048 385 K CA 1.508 57.833 56.287 0.062 0.000 0.927 385 K CB 0.070 32.605 32.500 0.058 0.000 0.712 385 K HN 0.254 nan 8.250 nan 0.000 0.441 386 K N 0.145 120.575 120.400 0.051 0.000 2.097 386 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 386 K C 2.325 178.953 176.600 0.047 0.000 1.050 386 K CA 1.659 57.974 56.287 0.047 0.000 0.938 386 K CB 0.005 32.528 32.500 0.038 0.000 0.718 386 K HN 0.314 nan 8.250 nan 0.000 0.442 387 Q N -0.106 119.726 119.800 0.053 0.000 2.250 387 Q HA 0.022 4.362 4.340 -0.000 0.000 0.200 387 Q C 1.643 177.678 176.000 0.057 0.000 0.941 387 Q CA 0.779 56.615 55.803 0.054 0.000 0.872 387 Q CB 0.349 29.124 28.738 0.063 0.000 0.965 387 Q HN 0.225 nan 8.270 nan 0.000 0.480 388 R N -0.283 120.256 120.500 0.066 0.000 2.335 388 R HA 0.247 4.587 4.340 -0.000 0.000 0.210 388 R C 0.487 176.823 176.300 0.060 0.000 0.892 388 R CA 0.423 56.562 56.100 0.066 0.000 1.048 388 R CB 1.162 31.511 30.300 0.082 0.000 1.067 388 R HN 0.176 nan 8.270 nan 0.000 0.524 389 G N 2.299 111.136 108.800 0.060 0.000 2.795 389 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.664 389 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.664 389 G C -2.640 172.300 174.900 0.067 0.000 1.381 389 G CA -1.222 43.912 45.100 0.057 0.000 0.853 389 G HN -0.043 nan 8.290 nan 0.000 0.545 390 P HA 0.276 nan 4.420 nan 0.000 0.264 390 P C 0.834 178.173 177.300 0.064 0.000 1.183 390 P CA -0.052 63.090 63.100 0.071 0.000 0.763 390 P CB 0.279 32.011 31.700 0.053 0.000 0.807 391 L N 1.863 123.137 121.223 0.085 0.000 2.482 391 L HA 0.054 4.394 4.340 -0.000 0.000 0.273 391 L C 1.925 178.783 176.870 -0.019 0.000 1.228 391 L CA -0.129 54.743 54.840 0.054 0.000 0.827 391 L CB -0.002 42.119 42.059 0.104 0.000 1.099 391 L HN 0.426 nan 8.230 nan 0.000 0.494 392 A N 1.328 124.114 122.820 -0.057 0.000 1.972 392 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 392 A C 1.899 179.406 177.584 -0.129 0.000 1.169 392 A CA 1.317 53.310 52.037 -0.072 0.000 0.635 392 A CB -0.393 18.569 19.000 -0.063 0.000 0.810 392 A HN 0.883 nan 8.150 nan 0.000 0.446 393 E N 0.940 120.976 120.200 -0.273 0.000 2.338 393 E HA -0.046 4.304 4.350 -0.000 0.000 0.197 393 E C 0.339 176.824 176.600 -0.192 0.000 1.007 393 E CA 0.440 56.602 56.400 -0.397 0.000 0.849 393 E CB -0.029 28.974 29.700 -1.162 0.000 0.774 393 E HN 0.549 nan 8.360 nan 0.000 0.506 394 E N 1.441 121.592 120.200 -0.083 0.000 2.418 394 E HA 0.071 4.421 4.350 -0.000 0.000 0.261 394 E C -0.219 176.391 176.600 0.017 0.000 1.070 394 E CA 0.348 56.762 56.400 0.024 0.000 0.931 394 E CB 0.560 30.292 29.700 0.054 0.000 0.954 394 E HN 0.102 nan 8.360 nan 0.000 0.439 395 K N -0.199 120.225 120.400 0.040 0.000 2.468 395 K HA 0.333 4.653 4.320 -0.000 0.000 0.252 395 K C -0.133 176.481 176.600 0.024 0.000 0.932 395 K CA -0.537 55.767 56.287 0.028 0.000 0.794 395 K CB 1.210 33.733 32.500 0.038 0.000 1.241 395 K HN 0.655 nan 8.250 nan 0.000 0.428 396 N N 0.587 119.291 118.700 0.007 0.000 2.829 396 N HA -0.273 4.467 4.740 -0.000 0.000 0.250 396 N C 0.644 176.138 175.510 -0.026 0.000 1.090 396 N CA 0.352 53.397 53.050 -0.008 0.000 0.781 396 N CB -1.647 36.838 38.487 -0.003 0.000 1.124 396 N HN 1.243 nan 8.380 nan 0.000 0.559 397 G N -1.200 107.586 108.800 -0.024 0.000 2.176 397 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.253 397 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.253 397 G C 0.094 174.981 174.900 -0.022 0.000 0.979 397 G CA 0.960 46.030 45.100 -0.051 0.000 0.641 397 G HN 1.689 nan 8.290 nan 0.000 0.530 398 S N -0.530 115.185 115.700 0.025 0.000 2.672 398 S HA 0.637 5.107 4.470 -0.000 0.000 0.276 398 S C 0.081 174.746 174.600 0.109 0.000 1.207 398 S CA 0.009 58.257 58.200 0.081 0.000 1.002 398 S CB 1.874 65.118 63.200 0.073 0.000 0.998 398 S HN 0.058 nan 8.310 nan 0.000 0.542 399 D N 1.120 121.601 120.400 0.135 0.000 2.615 399 D HA 0.195 4.835 4.640 -0.000 0.000 0.236 399 D C 0.253 176.617 176.300 0.108 0.000 1.233 399 D CA -0.094 53.984 54.000 0.130 0.000 0.829 399 D CB -0.122 40.756 40.800 0.131 0.000 1.024 399 D HN 0.441 nan 8.370 nan 0.000 0.490 400 N N 0.465 119.218 118.700 0.088 0.000 2.104 400 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 400 N C 1.378 176.880 175.510 -0.012 0.000 1.024 400 N CA 0.667 53.740 53.050 0.038 0.000 0.853 400 N CB -0.299 38.216 38.487 0.048 0.000 1.008 400 N HN 0.244 nan 8.380 nan 0.000 0.424 401 F N 1.517 121.417 119.950 -0.082 0.000 2.102 401 F HA -0.074 4.452 4.527 -0.000 0.000 0.298 401 F C 2.518 178.238 175.800 -0.133 0.000 1.105 401 F CA 1.283 59.179 58.000 -0.174 0.000 1.239 401 F CB -0.076 38.904 39.000 -0.035 0.000 0.991 401 F HN -0.084 nan 8.300 nan 0.000 0.474 402 R N 0.393 121.017 120.500 0.207 0.000 2.096 402 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 402 R C 2.247 178.665 176.300 0.196 0.000 1.127 402 R CA 1.604 57.845 56.100 0.234 0.000 0.968 402 R CB -0.405 30.050 30.300 0.258 0.000 0.861 402 R HN 0.394 nan 8.270 nan 0.000 0.440 403 L N 0.452 121.764 121.223 0.149 0.000 2.083 403 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 403 L C 2.274 179.224 176.870 0.133 0.000 1.083 403 L CA 1.606 56.623 54.840 0.295 0.000 0.752 403 L CB -0.397 41.739 42.059 0.127 0.000 0.899 403 L HN 0.219 nan 8.230 nan 0.000 0.433 404 K N -0.126 120.128 120.400 -0.244 0.000 2.103 404 K HA -0.167 4.152 4.320 -0.000 0.000 0.204 404 K C 2.209 178.458 176.600 -0.585 0.000 1.052 404 K CA 0.900 56.862 56.287 -0.542 0.000 0.945 404 K CB -0.118 31.677 32.500 -1.174 0.000 0.722 404 K HN 0.165 nan 8.250 nan 0.000 0.443 405 R N 0.143 120.309 120.500 -0.558 0.000 2.081 405 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 405 R C 1.656 177.848 176.300 -0.180 0.000 1.131 405 R CA 1.541 57.473 56.100 -0.281 0.000 0.960 405 R CB -0.169 30.006 30.300 -0.208 0.000 0.856 405 R HN 0.184 nan 8.270 nan 0.000 0.436 406 Y N -0.740 119.436 120.300 -0.207 0.000 2.314 406 Y HA -0.065 4.485 4.550 -0.000 0.000 0.294 406 Y C 2.206 177.873 175.900 -0.389 0.000 1.119 406 Y CA 0.973 58.875 58.100 -0.331 0.000 1.179 406 Y CB -0.291 37.820 38.460 -0.581 0.000 1.025 406 Y HN -0.092 nan 8.280 nan 0.000 0.541 407 V N -0.825 119.040 119.914 -0.082 0.000 2.490 407 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 407 V C 2.003 177.883 176.094 -0.357 0.000 1.061 407 V CA 2.370 64.567 62.300 -0.172 0.000 1.064 407 V CB -0.528 31.405 31.823 0.183 0.000 0.670 407 V HN 0.414 nan 8.190 nan 0.000 0.461 408 S N -0.477 115.146 115.700 -0.128 0.000 2.419 408 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 408 S C 1.782 176.303 174.600 -0.132 0.000 1.016 408 S CA 1.318 59.482 58.200 -0.061 0.000 0.974 408 S CB -0.253 62.999 63.200 0.087 0.000 0.786 408 S HN 0.661 nan 8.310 nan 0.000 0.492 409 K N 0.571 120.879 120.400 -0.153 0.000 2.211 409 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 409 K C 1.400 178.014 176.600 0.024 0.000 1.050 409 K CA 1.250 57.502 56.287 -0.060 0.000 0.945 409 K CB -0.137 32.334 32.500 -0.047 0.000 0.732 409 K HN 0.768 nan 8.250 nan 0.000 0.451 410 Y N -1.819 118.485 120.300 0.006 0.000 2.527 410 Y HA 0.261 4.811 4.550 -0.000 0.000 0.247 410 Y C 1.384 177.330 175.900 0.076 0.000 1.138 410 Y CA -0.110 58.011 58.100 0.036 0.000 1.228 410 Y CB -0.254 38.223 38.460 0.027 0.000 1.252 410 Y HN -0.071 nan 8.280 nan 0.000 0.531 411 T N -2.251 112.229 114.554 -0.124 0.000 3.518 411 T HA 0.117 4.467 4.350 -0.000 0.000 0.211 411 T C 1.385 176.085 174.700 -0.001 0.000 0.940 411 T CA 0.733 62.832 62.100 -0.001 0.000 1.307 411 T CB -0.776 68.085 68.868 -0.012 0.000 1.392 411 T HN 0.123 nan 8.240 nan 0.000 0.382 412 I N 2.590 123.141 120.570 -0.032 0.000 2.500 412 I HA 0.111 4.281 4.170 -0.000 0.000 0.252 412 I C 1.783 177.815 176.117 -0.142 0.000 1.142 412 I CA 0.964 62.210 61.300 -0.090 0.000 1.451 412 I CB -0.665 37.190 38.000 -0.242 0.000 1.093 412 I HN 0.182 nan 8.210 nan 0.000 0.430 413 N N 1.301 119.922 118.700 -0.132 0.000 2.106 413 N HA -0.078 4.662 4.740 -0.000 0.000 0.188 413 N C -0.826 174.601 175.510 -0.138 0.000 1.029 413 N CA 1.778 54.745 53.050 -0.139 0.000 0.848 413 N CB -2.030 36.386 38.487 -0.118 0.000 1.007 413 N HN 0.292 nan 8.380 nan 0.000 0.423 414 P HA -0.079 nan 4.420 nan 0.000 0.216 414 P C 1.117 178.316 177.300 -0.168 0.000 1.153 414 P CA 1.644 64.681 63.100 -0.105 0.000 0.858 414 P CB -0.098 31.598 31.700 -0.006 0.000 0.789 415 A N -0.627 122.104 122.820 -0.149 0.000 1.902 415 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 415 A C 2.273 179.749 177.584 -0.180 0.000 1.181 415 A CA 1.554 53.477 52.037 -0.189 0.000 0.623 415 A CB -1.647 17.287 19.000 -0.111 0.000 0.818 415 A HN 0.127 nan 8.150 nan 0.000 0.443 416 I N -0.387 120.094 120.570 -0.148 0.000 2.252 416 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 416 I C 2.942 178.971 176.117 -0.146 0.000 1.102 416 I CA 1.010 62.232 61.300 -0.130 0.000 1.385 416 I CB -0.287 37.630 38.000 -0.139 0.000 1.064 416 I HN 0.360 nan 8.210 nan 0.000 0.414 417 A N -0.208 122.502 122.820 -0.183 0.000 1.933 417 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 417 A C 2.198 179.679 177.584 -0.172 0.000 1.175 417 A CA 1.599 53.518 52.037 -0.196 0.000 0.628 417 A CB -0.439 18.370 19.000 -0.318 0.000 0.814 417 A HN 0.370 nan 8.150 nan 0.000 0.444 418 Q N -1.554 118.098 119.800 -0.245 0.000 2.424 418 Q HA 0.267 4.607 4.340 -0.000 0.000 0.204 418 Q C 0.977 176.838 176.000 -0.233 0.000 0.933 418 Q CA 0.956 56.559 55.803 -0.333 0.000 0.929 418 Q CB 0.089 28.370 28.738 -0.761 0.000 1.037 418 Q HN 0.989 nan 8.270 nan 0.000 0.511 419 G N 0.789 109.497 108.800 -0.154 0.000 2.142 419 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.225 419 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.225 419 G C 0.395 175.320 174.900 0.042 0.000 1.015 419 G CA 0.396 45.475 45.100 -0.035 0.000 0.716 419 G HN 0.570 nan 8.290 nan 0.000 0.508 420 I N -3.815 116.693 120.570 -0.104 0.000 4.102 420 I HA 0.691 4.861 4.170 -0.000 0.000 0.325 420 I C 1.621 177.632 176.117 -0.177 0.000 1.471 420 I CA 0.373 61.546 61.300 -0.212 0.000 1.133 420 I CB 0.460 37.981 38.000 -0.797 0.000 1.184 420 I HN 0.158 nan 8.210 nan 0.000 0.451 421 A N 1.817 124.624 122.820 -0.021 0.000 2.209 421 A HA -0.125 4.195 4.320 -0.000 0.000 0.212 421 A C 2.122 179.763 177.584 0.096 0.000 1.158 421 A CA 1.313 53.357 52.037 0.012 0.000 0.742 421 A CB -1.092 17.911 19.000 0.006 0.000 0.790 421 A HN 0.774 nan 8.150 nan 0.000 0.472 422 H N -1.343 117.774 119.070 0.079 0.000 2.495 422 H HA 0.076 4.632 4.556 -0.000 0.000 0.287 422 H C 0.956 176.399 175.328 0.191 0.000 1.033 422 H CA 1.240 57.360 56.048 0.120 0.000 1.307 422 H CB -0.009 29.814 29.762 0.102 0.000 1.401 422 H HN 0.485 nan 8.280 nan 0.000 0.555 423 E N 1.167 121.192 120.200 -0.291 0.000 2.206 423 E HA 0.138 4.487 4.350 -0.000 0.000 0.195 423 E C 1.292 177.971 176.600 0.133 0.000 0.935 423 E CA 0.837 57.226 56.400 -0.019 0.000 0.875 423 E CB 0.948 30.644 29.700 -0.007 0.000 0.841 423 E HN 0.399 nan 8.360 nan 0.000 0.477 424 V N -4.749 115.222 119.914 0.094 0.000 3.105 424 V HA 0.847 4.967 4.120 -0.000 0.000 0.311 424 V C 0.859 177.016 176.094 0.105 0.000 1.287 424 V CA -0.220 62.171 62.300 0.151 0.000 1.066 424 V CB 1.198 33.145 31.823 0.207 0.000 1.105 424 V HN 0.317 nan 8.190 nan 0.000 0.462 425 G N 0.021 108.897 108.800 0.127 0.000 2.213 425 G HA2 0.043 4.003 3.960 -0.000 0.000 0.226 425 G HA3 0.043 4.003 3.960 -0.000 0.000 0.226 425 G C 0.269 175.267 174.900 0.163 0.000 0.992 425 G CA 0.662 45.827 45.100 0.107 0.000 0.632 425 G HN 2.466 nan 8.290 nan 0.000 0.511 426 S N -1.167 114.651 115.700 0.196 0.000 2.587 426 S HA 0.669 5.139 4.470 -0.000 0.000 0.269 426 S C -0.647 174.068 174.600 0.192 0.000 1.154 426 S CA -0.729 57.619 58.200 0.247 0.000 0.824 426 S CB 1.322 64.776 63.200 0.423 0.000 1.118 426 S HN 0.741 nan 8.310 nan 0.000 0.462 427 I N 1.763 122.432 120.570 0.165 0.000 2.224 427 I HA 0.346 4.515 4.170 -0.000 0.000 0.293 427 I C 0.084 176.273 176.117 0.120 0.000 1.155 427 I CA 0.208 61.584 61.300 0.125 0.000 1.297 427 I CB -0.328 37.731 38.000 0.097 0.000 1.487 427 I HN 0.589 nan 8.210 nan 0.000 0.564 428 E N 4.157 124.434 120.200 0.127 0.000 2.369 428 E HA 0.376 4.726 4.350 -0.000 0.000 0.270 428 E C -0.841 175.827 176.600 0.113 0.000 0.909 428 E CA -0.948 55.520 56.400 0.114 0.000 0.775 428 E CB 2.154 31.935 29.700 0.134 0.000 1.270 428 E HN 0.377 nan 8.360 nan 0.000 0.445 429 E N -0.027 120.226 120.200 0.088 0.000 2.384 429 E HA 0.257 4.606 4.350 -0.000 0.000 0.266 429 E C 0.636 177.310 176.600 0.123 0.000 1.012 429 E CA 0.695 57.148 56.400 0.090 0.000 0.901 429 E CB 0.526 30.258 29.700 0.053 0.000 0.967 429 E HN 0.820 nan 8.360 nan 0.000 0.435 430 G N 2.579 111.473 108.800 0.158 0.000 2.176 430 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.232 430 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.232 430 G C 0.082 175.182 174.900 0.333 0.000 0.986 430 G CA -0.158 45.051 45.100 0.180 0.000 0.643 430 G HN 0.395 nan 8.290 nan 0.000 0.522 431 K N -0.428 120.175 120.400 0.338 0.000 2.166 431 K HA 0.612 4.931 4.320 -0.000 0.000 0.245 431 K C -0.376 176.401 176.600 0.295 0.000 0.967 431 K CA -1.047 55.458 56.287 0.362 0.000 0.863 431 K CB 1.416 34.055 32.500 0.231 0.000 1.107 431 K HN 0.004 nan 8.250 nan 0.000 0.436 432 F N 1.464 121.343 119.950 -0.119 0.000 2.563 432 F HA 0.043 4.570 4.527 -0.000 0.000 0.363 432 F C 0.456 176.121 175.800 -0.226 0.000 1.123 432 F CA -0.384 57.278 58.000 -0.563 0.000 1.307 432 F CB 0.515 39.243 39.000 -0.453 0.000 1.115 432 F HN 0.583 nan 8.300 nan 0.000 0.592 433 A N 4.811 127.254 122.820 -0.629 0.000 3.063 433 A HA 0.192 4.512 4.320 -0.000 0.000 0.263 433 A C -0.645 176.719 177.584 -0.367 0.000 1.736 433 A CA -0.447 51.364 52.037 -0.378 0.000 1.408 433 A CB -1.187 17.626 19.000 -0.313 0.000 1.108 433 A HN 0.559 nan 8.150 nan 0.000 0.621 434 D N 1.477 121.777 120.400 -0.167 0.000 2.428 434 D HA 0.526 5.166 4.640 -0.000 0.000 0.221 434 D C -0.450 175.859 176.300 0.015 0.000 1.123 434 D CA 0.483 54.461 54.000 -0.037 0.000 0.869 434 D CB 0.953 41.823 40.800 0.117 0.000 1.032 434 D HN 0.387 nan 8.370 nan 0.000 0.506 435 L N 1.340 122.556 121.223 -0.011 0.000 2.401 435 L HA 0.557 4.897 4.340 -0.000 0.000 0.266 435 L C -0.614 176.250 176.870 -0.010 0.000 0.991 435 L CA -1.149 53.702 54.840 0.018 0.000 0.818 435 L CB 2.545 44.602 42.059 -0.004 0.000 1.321 435 L HN -0.081 nan 8.230 nan 0.000 0.413 436 V N 3.591 123.511 119.914 0.010 0.000 2.378 436 V HA 0.396 4.516 4.120 -0.000 0.000 0.288 436 V C -0.243 175.723 176.094 -0.214 0.000 1.016 436 V CA -0.483 61.716 62.300 -0.168 0.000 0.840 436 V CB 1.670 33.347 31.823 -0.243 0.000 0.994 436 V HN 0.414 nan 8.190 nan 0.000 0.431 437 L N 5.028 126.105 121.223 -0.244 0.000 2.326 437 L HA 0.519 4.859 4.340 -0.000 0.000 0.278 437 L C -0.794 175.954 176.870 -0.203 0.000 1.092 437 L CA 0.366 55.139 54.840 -0.111 0.000 0.810 437 L CB 0.921 42.954 42.059 -0.043 0.000 1.153 437 L HN 0.593 nan 8.230 nan 0.000 0.439 438 W N 1.828 123.195 121.300 0.112 0.000 2.739 438 W HA 0.499 5.158 4.660 -0.000 0.000 0.331 438 W C -0.226 176.382 176.519 0.149 0.000 1.049 438 W CA -0.619 56.811 57.345 0.142 0.000 1.234 438 W CB 0.884 30.485 29.460 0.235 0.000 1.404 438 W HN 0.384 nan 8.180 nan 0.000 0.477 439 E N 3.423 123.863 120.200 0.399 0.000 2.392 439 E HA 0.012 4.362 4.350 -0.000 0.000 0.264 439 E C -1.542 175.232 176.600 0.291 0.000 1.024 439 E CA -1.157 55.427 56.400 0.307 0.000 0.903 439 E CB 0.949 30.858 29.700 0.349 0.000 0.963 439 E HN 0.087 nan 8.360 nan 0.000 0.432 440 P HA -0.254 nan 4.420 nan 0.000 0.216 440 P C 1.143 178.446 177.300 0.004 0.000 1.150 440 P CA 1.629 64.752 63.100 0.039 0.000 0.837 440 P CB 0.098 31.770 31.700 -0.047 0.000 0.786 441 K N -1.408 118.964 120.400 -0.046 0.000 2.209 441 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 441 K C 0.842 177.325 176.600 -0.194 0.000 1.048 441 K CA 1.454 57.634 56.287 -0.178 0.000 0.940 441 K CB -0.750 31.550 32.500 -0.334 0.000 0.729 441 K HN 0.114 nan 8.250 nan 0.000 0.451 442 F N 0.675 120.696 119.950 0.118 0.000 2.639 442 F HA 0.274 4.801 4.527 -0.000 0.000 0.302 442 F C 0.203 175.996 175.800 -0.011 0.000 1.097 442 F CA -1.629 56.393 58.000 0.038 0.000 1.294 442 F CB -0.073 38.996 39.000 0.116 0.000 1.027 442 F HN -0.113 nan 8.300 nan 0.000 0.550 443 F N 1.225 121.140 119.950 -0.059 0.000 2.608 443 F HA 0.358 4.885 4.527 -0.000 0.000 0.380 443 F C 1.349 176.755 175.800 -0.656 0.000 1.083 443 F CA 0.931 58.692 58.000 -0.399 0.000 1.266 443 F CB 0.424 39.100 39.000 -0.540 0.000 1.076 443 F HN 0.304 nan 8.300 nan 0.000 0.574 444 G N 3.347 110.781 108.800 -2.278 0.000 2.205 444 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.261 444 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.261 444 G C 0.513 175.141 174.900 -0.454 0.000 0.980 444 G CA 0.444 44.673 45.100 -1.451 0.000 0.632 444 G HN 0.777 nan 8.290 nan 0.000 0.533 445 V N -0.666 119.122 119.914 -0.210 0.000 2.784 445 V HA 0.399 4.519 4.120 -0.000 0.000 0.231 445 V C 1.030 177.211 176.094 0.144 0.000 1.128 445 V CA 1.755 64.019 62.300 -0.060 0.000 1.178 445 V CB 0.201 31.769 31.823 -0.425 0.000 0.943 445 V HN 0.238 nan 8.190 nan 0.000 0.500 446 K N 0.582 121.095 120.400 0.189 0.000 2.545 446 K HA 0.686 5.005 4.320 -0.000 0.000 0.252 446 K C -0.666 175.959 176.600 0.042 0.000 0.948 446 K CA -0.235 56.090 56.287 0.063 0.000 0.827 446 K CB 2.015 34.395 32.500 -0.200 0.000 1.128 446 K HN 0.404 nan 8.250 nan 0.000 0.429 447 A N 1.883 124.574 122.820 -0.215 0.000 2.462 447 A HA -0.010 4.310 4.320 -0.000 0.000 0.243 447 A C 0.738 178.131 177.584 -0.318 0.000 1.076 447 A CA 0.121 51.756 52.037 -0.670 0.000 0.773 447 A CB 0.273 18.767 19.000 -0.843 0.000 1.010 447 A HN 0.929 nan 8.150 nan 0.000 0.493 448 D N 0.824 121.055 120.400 -0.283 0.000 2.110 448 D HA 0.005 4.645 4.640 -0.000 0.000 0.202 448 D C 0.598 176.806 176.300 -0.154 0.000 0.975 448 D CA 1.283 55.190 54.000 -0.155 0.000 0.839 448 D CB 0.173 40.938 40.800 -0.059 0.000 0.996 448 D HN 0.559 nan 8.370 nan 0.000 0.464 449 R N -0.652 119.742 120.500 -0.177 0.000 2.604 449 R HA 0.559 4.899 4.340 -0.000 0.000 0.281 449 R C -1.634 174.578 176.300 -0.148 0.000 1.020 449 R CA -0.792 55.233 56.100 -0.126 0.000 0.899 449 R CB 2.906 33.153 30.300 -0.087 0.000 1.205 449 R HN -0.123 nan 8.270 nan 0.000 0.450 450 V N 5.106 124.973 119.914 -0.078 0.000 2.378 450 V HA 0.447 4.567 4.120 -0.000 0.000 0.288 450 V C -0.085 175.987 176.094 -0.037 0.000 1.016 450 V CA -0.628 61.629 62.300 -0.072 0.000 0.840 450 V CB 1.583 33.389 31.823 -0.027 0.000 0.994 450 V HN 0.606 nan 8.190 nan 0.000 0.431 451 I N 5.702 126.241 120.570 -0.053 0.000 2.331 451 I HA 0.470 4.640 4.170 -0.000 0.000 0.292 451 I C 0.001 176.073 176.117 -0.075 0.000 0.998 451 I CA -0.432 60.830 61.300 -0.063 0.000 1.267 451 I CB 1.156 39.109 38.000 -0.079 0.000 1.386 451 I HN 0.340 nan 8.210 nan 0.000 0.476 452 K N 4.678 125.027 120.400 -0.084 0.000 2.535 452 K HA 0.356 4.675 4.320 -0.000 0.000 0.253 452 K C 0.304 176.766 176.600 -0.229 0.000 0.953 452 K CA -0.465 55.770 56.287 -0.086 0.000 0.863 452 K CB 1.681 34.197 32.500 0.027 0.000 1.111 452 K HN 0.870 nan 8.250 nan 0.000 0.431 453 G N 1.608 109.992 108.800 -0.694 0.000 2.249 453 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.273 453 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.273 453 G C 0.786 175.376 174.900 -0.516 0.000 1.036 453 G CA 1.109 45.543 45.100 -1.110 0.000 0.824 453 G HN 1.109 nan 8.290 nan 0.000 0.504 454 G N -2.010 106.557 108.800 -0.389 0.000 2.179 454 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.260 454 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.260 454 G C 0.203 175.028 174.900 -0.125 0.000 0.977 454 G CA 0.604 45.578 45.100 -0.210 0.000 0.641 454 G HN 1.256 nan 8.290 nan 0.000 0.533 455 I N 0.893 121.399 120.570 -0.107 0.000 2.608 455 I HA 0.451 4.621 4.170 -0.000 0.000 0.295 455 I C 0.869 176.964 176.117 -0.037 0.000 1.049 455 I CA -1.605 59.664 61.300 -0.051 0.000 1.063 455 I CB 1.679 39.666 38.000 -0.021 0.000 1.248 455 I HN -0.011 nan 8.210 nan 0.000 0.424 456 I N 4.194 124.753 120.570 -0.019 0.000 2.668 456 I HA 0.016 4.185 4.170 -0.000 0.000 0.285 456 I C 1.259 177.381 176.117 0.009 0.000 1.168 456 I CA 0.375 61.667 61.300 -0.013 0.000 1.424 456 I CB 0.982 38.974 38.000 -0.014 0.000 1.377 456 I HN 0.767 nan 8.210 nan 0.000 0.560 457 A N 6.288 129.121 122.820 0.021 0.000 2.035 457 A HA 0.128 4.448 4.320 -0.000 0.000 0.208 457 A C 0.212 177.857 177.584 0.102 0.000 1.206 457 A CA 0.623 52.691 52.037 0.053 0.000 0.773 457 A CB 0.325 19.362 19.000 0.063 0.000 0.878 457 A HN 0.653 nan 8.150 nan 0.000 0.469 458 Y N -1.508 118.751 120.300 -0.069 0.000 2.519 458 Y HA 0.549 5.099 4.550 -0.000 0.000 0.336 458 Y C -0.885 174.955 175.900 -0.099 0.000 1.089 458 Y CA -0.631 57.420 58.100 -0.082 0.000 1.025 458 Y CB 1.642 40.056 38.460 -0.078 0.000 1.318 458 Y HN 0.320 nan 8.280 nan 0.000 0.452 459 A N 4.368 126.931 122.820 -0.429 0.000 2.547 459 A HA 0.499 4.819 4.320 -0.000 0.000 0.297 459 A C -1.812 175.559 177.584 -0.356 0.000 1.056 459 A CA -0.920 50.949 52.037 -0.279 0.000 0.688 459 A CB 1.757 20.645 19.000 -0.187 0.000 1.282 459 A HN 0.551 nan 8.150 nan 0.000 0.400 460 Q N 1.357 121.019 119.800 -0.230 0.000 2.324 460 Q HA 0.396 4.736 4.340 -0.000 0.000 0.257 460 Q C -0.814 175.091 176.000 -0.159 0.000 1.080 460 Q CA 0.648 56.330 55.803 -0.201 0.000 0.907 460 Q CB 0.865 29.485 28.738 -0.195 0.000 1.274 460 Q HN 0.666 nan 8.270 nan 0.000 0.434 461 I N 0.278 120.755 120.570 -0.154 0.000 2.913 461 I HA 0.594 4.764 4.170 -0.000 0.000 0.302 461 I C -0.200 175.863 176.117 -0.091 0.000 1.246 461 I CA -0.718 60.517 61.300 -0.109 0.000 1.010 461 I CB 2.137 40.069 38.000 -0.114 0.000 1.259 461 I HN 0.568 nan 8.210 nan 0.000 0.434 462 G N 2.306 111.070 108.800 -0.061 0.000 2.543 462 G HA2 0.144 4.104 3.960 -0.000 0.000 0.267 462 G HA3 0.144 4.104 3.960 -0.000 0.000 0.267 462 G C -0.769 174.106 174.900 -0.042 0.000 1.406 462 G CA -0.361 44.711 45.100 -0.046 0.000 1.048 462 G HN 0.644 nan 8.290 nan 0.000 0.548 463 D N 0.529 120.911 120.400 -0.029 0.000 2.662 463 D HA -0.009 4.630 4.640 -0.000 0.000 0.237 463 D C -0.932 175.354 176.300 -0.023 0.000 1.154 463 D CA -1.073 52.913 54.000 -0.024 0.000 0.861 463 D CB 1.232 42.023 40.800 -0.014 0.000 1.146 463 D HN -0.022 nan 8.370 nan 0.000 0.518 464 P HA -0.066 nan 4.420 nan 0.000 0.233 464 P C 0.761 178.056 177.300 -0.010 0.000 1.167 464 P CA 0.580 63.666 63.100 -0.022 0.000 0.770 464 P CB 0.131 31.812 31.700 -0.031 0.000 0.837 465 S N -2.000 113.694 115.700 -0.009 0.000 2.540 465 S HA 0.427 4.896 4.470 -0.000 0.000 0.218 465 S C 0.978 175.577 174.600 -0.002 0.000 0.977 465 S CA -0.330 57.868 58.200 -0.004 0.000 0.918 465 S CB -0.432 62.766 63.200 -0.005 0.000 0.806 465 S HN 0.106 nan 8.310 nan 0.000 0.496 466 A N 1.797 124.615 122.820 -0.004 0.000 2.272 466 A HA 0.657 4.977 4.320 -0.000 0.000 0.275 466 A C 1.509 179.094 177.584 0.001 0.000 1.096 466 A CA 0.042 52.078 52.037 -0.002 0.000 0.822 466 A CB 0.360 19.358 19.000 -0.004 0.000 1.088 466 A HN 0.605 nan 8.150 nan 0.000 0.495 467 S N -0.354 115.347 115.700 0.002 0.000 2.423 467 S HA 0.050 4.520 4.470 -0.000 0.000 0.231 467 S C 0.693 175.296 174.600 0.006 0.000 1.014 467 S CA 1.182 59.384 58.200 0.004 0.000 0.965 467 S CB -0.930 62.272 63.200 0.003 0.000 0.785 467 S HN 0.889 nan 8.310 nan 0.000 0.495 468 I N -3.419 117.154 120.570 0.005 0.000 3.174 468 I HA 0.509 4.679 4.170 -0.000 0.000 0.313 468 I C -2.668 173.450 176.117 0.002 0.000 1.155 468 I CA -2.938 58.366 61.300 0.006 0.000 0.977 468 I CB 1.625 39.629 38.000 0.007 0.000 1.248 468 I HN -0.328 nan 8.210 nan 0.000 0.453 469 P HA 0.034 nan 4.420 nan 0.000 0.245 469 P C 1.087 178.379 177.300 -0.013 0.000 1.206 469 P CA 0.813 63.908 63.100 -0.008 0.000 0.781 469 P CB -0.042 31.653 31.700 -0.008 0.000 0.994 470 T N -5.014 109.537 114.554 -0.006 0.000 3.081 470 T HA 0.194 4.544 4.350 -0.000 0.000 0.255 470 T C -1.614 173.083 174.700 -0.005 0.000 1.113 470 T CA -0.489 61.608 62.100 -0.005 0.000 1.082 470 T CB -1.829 67.042 68.868 0.004 0.000 0.939 470 T HN 0.115 nan 8.240 nan 0.000 0.506 471 P HA 0.238 nan 4.420 nan 0.000 0.272 471 P C 0.073 177.368 177.300 -0.009 0.000 1.223 471 P CA -0.303 62.794 63.100 -0.005 0.000 0.784 471 P CB 0.423 32.120 31.700 -0.004 0.000 0.923 472 Q N 2.361 122.158 119.800 -0.006 0.000 2.421 472 Q HA 0.225 4.565 4.340 -0.000 0.000 0.255 472 Q C -1.978 174.016 176.000 -0.010 0.000 1.013 472 Q CA -1.200 54.598 55.803 -0.008 0.000 0.895 472 Q CB -0.565 28.171 28.738 -0.003 0.000 1.271 472 Q HN 0.372 nan 8.270 nan 0.000 0.460 473 P HA 0.224 nan 4.420 nan 0.000 0.296 473 P C -0.752 176.532 177.300 -0.027 0.000 1.306 473 P CA -0.508 62.584 63.100 -0.014 0.000 0.818 473 P CB 1.004 32.700 31.700 -0.007 0.000 0.969 474 V N 5.538 125.433 119.914 -0.031 0.000 2.427 474 V HA 0.344 4.464 4.120 -0.000 0.000 0.268 474 V C 0.722 176.778 176.094 -0.065 0.000 1.046 474 V CA 0.320 62.587 62.300 -0.054 0.000 0.970 474 V CB -0.110 31.682 31.823 -0.052 0.000 1.001 474 V HN 0.653 nan 8.190 nan 0.000 0.476 475 M N 3.775 123.324 119.600 -0.085 0.000 2.683 475 M HA 0.796 5.276 4.480 -0.000 0.000 0.274 475 M C 0.002 176.218 176.300 -0.139 0.000 1.272 475 M CA -0.747 54.505 55.300 -0.079 0.000 0.833 475 M CB 1.936 34.509 32.600 -0.045 0.000 1.708 475 M HN 0.496 nan 8.290 nan 0.000 0.463 476 G N 1.552 110.290 108.800 -0.104 0.000 2.365 476 G HA2 0.596 4.555 3.960 -0.000 0.000 0.249 476 G HA3 0.596 4.555 3.960 -0.000 0.000 0.249 476 G C -0.843 173.798 174.900 -0.432 0.000 1.288 476 G CA -0.584 44.361 45.100 -0.259 0.000 0.887 476 G HN 0.720 nan 8.290 nan 0.000 0.524 477 R N 1.755 121.738 120.500 -0.861 0.000 2.651 477 R HA 0.341 4.681 4.340 -0.000 0.000 0.278 477 R C -0.440 175.467 176.300 -0.654 0.000 1.010 477 R CA -1.053 54.725 56.100 -0.536 0.000 0.896 477 R CB 2.437 32.550 30.300 -0.311 0.000 1.211 477 R HN 0.505 nan 8.270 nan 0.000 0.456 478 R N 2.002 122.355 120.500 -0.245 0.000 2.491 478 R HA 0.218 4.557 4.340 -0.000 0.000 0.283 478 R C 0.288 176.479 176.300 -0.182 0.000 1.072 478 R CA 0.177 56.227 56.100 -0.084 0.000 1.048 478 R CB 0.517 30.822 30.300 0.009 0.000 0.983 478 R HN 0.292 nan 8.270 nan 0.000 0.450 479 M N 1.272 120.786 119.600 -0.143 0.000 2.623 479 M HA 0.159 4.639 4.480 -0.000 0.000 0.251 479 M C 1.074 177.254 176.300 -0.201 0.000 1.009 479 M CA -0.449 54.723 55.300 -0.214 0.000 1.155 479 M CB -0.217 32.319 32.600 -0.108 0.000 1.428 479 M HN 0.523 nan 8.290 nan 0.000 0.640 480 Y N 0.377 120.655 120.300 -0.038 0.000 2.421 480 Y HA -0.045 4.505 4.550 -0.000 0.000 0.292 480 Y C 2.230 178.111 175.900 -0.032 0.000 1.136 480 Y CA 1.505 59.584 58.100 -0.034 0.000 1.255 480 Y CB -1.088 37.350 38.460 -0.035 0.000 0.991 480 Y HN 0.842 nan 8.280 nan 0.000 0.552 481 G N -0.620 108.236 108.800 0.094 0.000 2.462 481 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 481 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 481 G C 1.677 176.591 174.900 0.023 0.000 1.121 481 G CA 1.666 46.794 45.100 0.048 0.000 0.758 481 G HN 0.470 nan 8.290 nan 0.000 0.559 482 T N -2.092 112.467 114.554 0.008 0.000 3.081 482 T HA 0.360 4.709 4.350 -0.000 0.000 0.250 482 T C 0.620 175.302 174.700 -0.029 0.000 1.100 482 T CA -0.166 61.930 62.100 -0.007 0.000 1.038 482 T CB 0.288 69.158 68.868 0.003 0.000 0.962 482 T HN -0.060 nan 8.240 nan 0.000 0.516 483 V N 1.700 121.604 119.914 -0.017 0.000 2.539 483 V HA 0.671 4.790 4.120 -0.000 0.000 0.292 483 V C 1.498 177.574 176.094 -0.030 0.000 1.045 483 V CA 0.147 62.437 62.300 -0.016 0.000 0.945 483 V CB 0.337 32.173 31.823 0.021 0.000 0.993 483 V HN 0.796 nan 8.190 nan 0.000 0.464 484 G N 4.241 113.012 108.800 -0.047 0.000 2.574 484 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.286 484 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.286 484 G C 0.338 175.139 174.900 -0.166 0.000 1.212 484 G CA 0.516 45.579 45.100 -0.061 0.000 0.979 484 G HN 0.661 nan 8.290 nan 0.000 0.557 485 D N 0.315 120.627 120.400 -0.147 0.000 2.340 485 D HA 0.160 4.800 4.640 -0.000 0.000 0.220 485 D C 2.296 178.460 176.300 -0.227 0.000 1.039 485 D CA 0.198 54.043 54.000 -0.258 0.000 0.866 485 D CB 0.296 41.089 40.800 -0.011 0.000 0.913 485 D HN 0.224 nan 8.370 nan 0.000 0.523 486 L N 0.751 121.898 121.223 -0.127 0.000 2.313 486 L HA 0.107 4.447 4.340 -0.000 0.000 0.214 486 L C 1.757 178.589 176.870 -0.063 0.000 1.119 486 L CA 0.768 55.577 54.840 -0.052 0.000 0.809 486 L CB -0.394 41.662 42.059 -0.005 0.000 0.933 486 L HN -0.009 nan 8.230 nan 0.000 0.449 487 I N -1.018 119.462 120.570 -0.151 0.000 2.423 487 I HA -0.365 3.805 4.170 -0.000 0.000 0.254 487 I C 2.009 178.100 176.117 -0.042 0.000 1.151 487 I CA 1.338 62.574 61.300 -0.107 0.000 1.421 487 I CB -0.059 37.857 38.000 -0.141 0.000 1.079 487 I HN 0.482 nan 8.210 nan 0.000 0.431 488 H N -0.591 118.491 119.070 0.020 0.000 2.403 488 H HA -0.086 4.470 4.556 -0.000 0.000 0.298 488 H C 1.320 176.663 175.328 0.026 0.000 1.059 488 H CA 1.001 57.054 56.048 0.008 0.000 1.363 488 H CB 0.131 29.893 29.762 0.000 0.000 1.410 488 H HN 0.295 nan 8.280 nan 0.000 0.528 489 D N -0.369 120.121 120.400 0.149 0.000 2.333 489 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 489 D C 1.820 178.231 176.300 0.186 0.000 0.984 489 D CA 1.132 55.217 54.000 0.143 0.000 0.873 489 D CB 0.043 40.909 40.800 0.110 0.000 0.935 489 D HN 0.477 nan 8.370 nan 0.000 0.521 490 T N -2.818 111.830 114.554 0.156 0.000 3.069 490 T HA 0.156 4.506 4.350 -0.000 0.000 0.252 490 T C 0.617 175.493 174.700 0.294 0.000 1.053 490 T CA -0.367 61.846 62.100 0.188 0.000 0.964 490 T CB 0.459 69.370 68.868 0.072 0.000 1.005 490 T HN -0.161 nan 8.240 nan 0.000 0.532 491 N N 0.753 119.572 118.700 0.200 0.000 2.242 491 N HA 0.545 5.285 4.740 -0.000 0.000 0.292 491 N C -1.538 173.925 175.510 -0.080 0.000 1.125 491 N CA -0.611 52.504 53.050 0.109 0.000 0.783 491 N CB 2.483 41.013 38.487 0.072 0.000 1.558 491 N HN 0.185 nan 8.380 nan 0.000 0.472 492 I N 0.967 121.401 120.570 -0.228 0.000 2.406 492 I HA 0.214 4.384 4.170 -0.000 0.000 0.290 492 I C 0.012 175.866 176.117 -0.438 0.000 0.999 492 I CA -0.428 60.572 61.300 -0.501 0.000 1.124 492 I CB 1.817 39.248 38.000 -0.948 0.000 1.289 492 I HN 0.219 nan 8.210 nan 0.000 0.441 493 T N 6.504 120.837 114.554 -0.368 0.000 2.727 493 T HA 0.398 4.748 4.350 -0.000 0.000 0.298 493 T C -0.303 174.212 174.700 -0.308 0.000 0.942 493 T CA -0.204 61.739 62.100 -0.262 0.000 0.997 493 T CB -0.183 68.584 68.868 -0.168 0.000 0.917 493 T HN 0.085 nan 8.240 nan 0.000 0.487 494 F N 3.881 123.811 119.950 -0.034 0.000 2.427 494 F HA 0.538 5.065 4.527 -0.000 0.000 0.352 494 F C 0.686 176.492 175.800 0.009 0.000 1.100 494 F CA -0.546 57.481 58.000 0.045 0.000 1.191 494 F CB 0.595 39.732 39.000 0.228 0.000 1.128 494 F HN 0.281 nan 8.300 nan 0.000 0.533 495 M N 1.558 121.281 119.600 0.205 0.000 2.575 495 M HA 0.338 4.818 4.480 -0.000 0.000 0.284 495 M C -0.341 176.036 176.300 0.130 0.000 1.253 495 M CA -1.049 54.317 55.300 0.110 0.000 0.861 495 M CB 2.514 35.134 32.600 0.033 0.000 1.733 495 M HN 0.550 nan 8.290 nan 0.000 0.462 496 S N 0.351 116.104 115.700 0.089 0.000 2.576 496 S HA 0.181 4.651 4.470 -0.000 0.000 0.272 496 S C 0.626 175.261 174.600 0.059 0.000 1.352 496 S CA -0.312 57.934 58.200 0.077 0.000 1.021 496 S CB 0.869 64.098 63.200 0.049 0.000 0.887 496 S HN 0.782 nan 8.310 nan 0.000 0.542 497 K N 1.168 121.598 120.400 0.051 0.000 2.063 497 K HA -0.132 4.187 4.320 -0.000 0.000 0.208 497 K C 2.623 179.235 176.600 0.020 0.000 1.048 497 K CA 1.699 58.006 56.287 0.034 0.000 0.928 497 K CB -0.462 32.051 32.500 0.022 0.000 0.713 497 K HN 0.851 nan 8.250 nan 0.000 0.442 498 S N 0.829 116.539 115.700 0.016 0.000 2.368 498 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 498 S C 2.189 176.792 174.600 0.005 0.000 1.029 498 S CA 1.480 59.685 58.200 0.008 0.000 0.988 498 S CB -0.465 62.738 63.200 0.005 0.000 0.838 498 S HN 0.341 nan 8.310 nan 0.000 0.462 499 S N 2.509 118.213 115.700 0.007 0.000 2.382 499 S HA -0.034 4.436 4.470 -0.000 0.000 0.228 499 S C 1.881 176.479 174.600 -0.004 0.000 1.027 499 S CA 1.122 59.321 58.200 -0.002 0.000 0.991 499 S CB -1.008 62.190 63.200 -0.005 0.000 0.823 499 S HN 0.555 nan 8.310 nan 0.000 0.469 500 I N 1.821 122.394 120.570 0.004 0.000 2.179 500 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 500 I C 3.107 179.223 176.117 -0.002 0.000 1.088 500 I CA 1.905 63.206 61.300 0.001 0.000 1.357 500 I CB -0.481 37.528 38.000 0.013 0.000 1.051 500 I HN 0.421 nan 8.210 nan 0.000 0.409 501 Q N 0.710 120.511 119.800 0.001 0.000 2.135 501 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 501 Q C 2.004 178.001 176.000 -0.004 0.000 0.981 501 Q CA 1.527 57.329 55.803 -0.001 0.000 0.856 501 Q CB 0.026 28.764 28.738 0.000 0.000 0.902 501 Q HN 0.551 nan 8.270 nan 0.000 0.425 502 Q N -0.947 118.850 119.800 -0.005 0.000 2.482 502 Q HA 0.067 4.407 4.340 -0.000 0.000 0.209 502 Q C 0.480 176.474 176.000 -0.011 0.000 0.961 502 Q CA 0.369 56.168 55.803 -0.007 0.000 0.945 502 Q CB 0.357 29.091 28.738 -0.007 0.000 1.012 502 Q HN 0.575 nan 8.270 nan 0.000 0.515 503 G N 0.685 109.477 108.800 -0.013 0.000 2.272 503 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.280 503 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.280 503 G C 0.604 175.490 174.900 -0.024 0.000 1.067 503 G CA 0.234 45.323 45.100 -0.018 0.000 0.902 503 G HN 0.276 nan 8.290 nan 0.000 0.500 504 V N 0.149 120.047 119.914 -0.026 0.000 2.358 504 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 504 V C 0.893 176.959 176.094 -0.047 0.000 1.047 504 V CA 2.473 64.752 62.300 -0.035 0.000 1.035 504 V CB -0.847 30.955 31.823 -0.035 0.000 0.658 504 V HN 0.448 nan 8.190 nan 0.000 0.452 505 P HA -0.157 nan 4.420 nan 0.000 0.215 505 P C 1.649 178.913 177.300 -0.061 0.000 1.157 505 P CA 2.137 65.199 63.100 -0.062 0.000 0.868 505 P CB -0.123 31.542 31.700 -0.060 0.000 0.788 506 A N -0.692 122.099 122.820 -0.048 0.000 1.970 506 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 506 A C 2.244 179.803 177.584 -0.042 0.000 1.170 506 A CA 1.323 53.334 52.037 -0.044 0.000 0.645 506 A CB -1.027 17.954 19.000 -0.033 0.000 0.816 506 A HN 0.079 nan 8.150 nan 0.000 0.447 507 K N -0.099 120.278 120.400 -0.039 0.000 2.057 507 K HA -0.056 4.263 4.320 -0.000 0.000 0.207 507 K C 1.475 178.049 176.600 -0.045 0.000 1.049 507 K CA 1.490 57.755 56.287 -0.036 0.000 0.931 507 K CB -0.265 32.216 32.500 -0.032 0.000 0.714 507 K HN 0.505 nan 8.250 nan 0.000 0.440 508 L N -0.603 120.584 121.223 -0.059 0.000 2.554 508 L HA 0.154 4.494 4.340 -0.000 0.000 0.226 508 L C 1.031 177.854 176.870 -0.078 0.000 1.137 508 L CA 0.392 55.188 54.840 -0.074 0.000 0.863 508 L CB -0.009 41.994 42.059 -0.093 0.000 0.985 508 L HN 0.480 nan 8.230 nan 0.000 0.451 509 G N 1.248 110.003 108.800 -0.075 0.000 2.198 509 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 509 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 509 G C 0.082 174.910 174.900 -0.120 0.000 1.042 509 G CA -0.259 44.789 45.100 -0.085 0.000 0.791 509 G HN 0.234 nan 8.290 nan 0.000 0.502 510 L N -0.325 120.825 121.223 -0.122 0.000 2.367 510 L HA 0.321 4.661 4.340 -0.000 0.000 0.275 510 L C 1.400 178.157 176.870 -0.188 0.000 1.129 510 L CA -0.372 54.376 54.840 -0.154 0.000 0.839 510 L CB 0.723 42.706 42.059 -0.127 0.000 1.133 510 L HN -0.007 nan 8.230 nan 0.000 0.453 511 K N 2.759 122.974 120.400 -0.308 0.000 2.355 511 K HA 0.207 4.527 4.320 -0.000 0.000 0.198 511 K C 0.598 177.074 176.600 -0.207 0.000 1.039 511 K CA -0.045 56.040 56.287 -0.337 0.000 1.075 511 K CB 0.414 32.509 32.500 -0.676 0.000 0.870 511 K HN 0.524 nan 8.250 nan 0.000 0.540 512 R N 1.458 121.863 120.500 -0.158 0.000 2.774 512 R HA 0.127 4.466 4.340 -0.000 0.000 0.269 512 R C 0.265 176.520 176.300 -0.074 0.000 1.068 512 R CA -0.078 55.993 56.100 -0.048 0.000 1.180 512 R CB 0.495 30.761 30.300 -0.057 0.000 1.077 512 R HN 0.007 nan 8.270 nan 0.000 0.513 513 R N 1.402 121.856 120.500 -0.077 0.000 2.570 513 R HA 0.063 4.403 4.340 -0.000 0.000 0.277 513 R C -0.112 176.070 176.300 -0.196 0.000 1.039 513 R CA 0.064 56.090 56.100 -0.124 0.000 1.065 513 R CB 0.275 30.461 30.300 -0.190 0.000 0.964 513 R HN 0.305 nan 8.270 nan 0.000 0.428 514 I N 1.932 122.409 120.570 -0.155 0.000 2.336 514 I HA 0.270 4.440 4.170 -0.000 0.000 0.292 514 I C 0.859 176.874 176.117 -0.169 0.000 0.991 514 I CA -0.230 60.975 61.300 -0.159 0.000 1.227 514 I CB 1.204 39.153 38.000 -0.084 0.000 1.366 514 I HN 0.679 nan 8.210 nan 0.000 0.466 515 G N 4.163 112.810 108.800 -0.255 0.000 2.400 515 G HA2 0.569 4.529 3.960 -0.000 0.000 0.333 515 G HA3 0.569 4.529 3.960 -0.000 0.000 0.333 515 G C -0.663 174.347 174.900 0.183 0.000 1.143 515 G CA -0.258 44.757 45.100 -0.141 0.000 0.914 515 G HN 0.489 nan 8.290 nan 0.000 0.480 516 T N 1.368 116.120 114.554 0.330 0.000 2.749 516 T HA 0.344 4.694 4.350 -0.000 0.000 0.287 516 T C 0.393 175.329 174.700 0.393 0.000 0.970 516 T CA -0.246 62.032 62.100 0.297 0.000 0.980 516 T CB 1.511 70.489 68.868 0.183 0.000 0.924 516 T HN 0.289 nan 8.240 nan 0.000 0.456 517 V N 5.822 125.920 119.914 0.307 0.000 2.572 517 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 517 V C 0.351 176.522 176.094 0.128 0.000 1.039 517 V CA 0.145 62.592 62.300 0.246 0.000 1.055 517 V CB 0.164 32.120 31.823 0.222 0.000 0.969 517 V HN 0.925 nan 8.190 nan 0.000 0.482 518 K N 3.084 123.532 120.400 0.079 0.000 2.607 518 K HA 0.442 4.762 4.320 -0.000 0.000 0.287 518 K C -0.619 175.965 176.600 -0.028 0.000 0.996 518 K CA -1.043 55.237 56.287 -0.013 0.000 0.876 518 K CB 1.148 33.590 32.500 -0.097 0.000 1.496 518 K HN 0.313 nan 8.250 nan 0.000 0.415 519 N N 0.091 118.769 118.700 -0.037 0.000 2.727 519 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 519 N C 0.034 175.526 175.510 -0.030 0.000 1.040 519 N CA 1.132 54.160 53.050 -0.036 0.000 0.712 519 N CB -2.082 36.377 38.487 -0.046 0.000 0.912 519 N HN 0.808 nan 8.380 nan 0.000 0.545 520 C N -2.575 116.709 119.300 -0.027 0.000 3.255 520 C HA 0.383 4.843 4.460 -0.000 0.000 0.282 520 C C 1.552 176.523 174.990 -0.032 0.000 1.441 520 C CA -0.789 58.208 59.018 -0.035 0.000 1.785 520 C CB 0.305 28.023 27.740 -0.038 0.000 2.583 520 C HN 0.240 nan 8.230 nan 0.000 0.615 521 R N 1.357 121.841 120.500 -0.027 0.000 2.308 521 R HA 0.211 4.551 4.340 -0.000 0.000 0.202 521 R C 0.238 176.523 176.300 -0.026 0.000 0.898 521 R CA 0.186 56.271 56.100 -0.025 0.000 1.046 521 R CB -0.324 29.964 30.300 -0.020 0.000 1.026 521 R HN 0.478 nan 8.270 nan 0.000 0.512 522 N N 1.043 119.727 118.700 -0.028 0.000 2.553 522 N HA 0.197 4.937 4.740 -0.000 0.000 0.298 522 N C -0.173 175.319 175.510 -0.031 0.000 1.596 522 N CA -0.002 53.032 53.050 -0.026 0.000 0.910 522 N CB 1.132 39.605 38.487 -0.023 0.000 1.336 522 N HN 0.212 nan 8.380 nan 0.000 0.497 523 I N -3.420 117.128 120.570 -0.037 0.000 3.133 523 I HA 0.949 5.119 4.170 -0.000 0.000 0.311 523 I C 0.413 176.504 176.117 -0.044 0.000 1.072 523 I CA -0.950 60.323 61.300 -0.045 0.000 1.015 523 I CB 2.063 40.029 38.000 -0.058 0.000 1.233 523 I HN -0.116 nan 8.210 nan 0.000 0.473 524 G N 1.343 110.114 108.800 -0.049 0.000 2.706 524 G HA2 0.256 4.216 3.960 -0.000 0.000 0.307 524 G HA3 0.256 4.216 3.960 -0.000 0.000 0.307 524 G C -0.307 174.561 174.900 -0.053 0.000 1.307 524 G CA -0.465 44.609 45.100 -0.043 0.000 0.790 524 G HN 0.663 nan 8.290 nan 0.000 0.503 525 K N 0.544 120.919 120.400 -0.043 0.000 2.160 525 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 525 K C 2.337 178.904 176.600 -0.056 0.000 1.047 525 K CA 2.442 58.700 56.287 -0.048 0.000 0.930 525 K CB -0.169 32.313 32.500 -0.030 0.000 0.720 525 K HN 0.534 nan 8.250 nan 0.000 0.450 526 K N -0.564 119.806 120.400 -0.051 0.000 2.283 526 K HA -0.114 4.206 4.320 -0.000 0.000 0.202 526 K C 0.457 177.011 176.600 -0.076 0.000 1.048 526 K CA 1.604 57.856 56.287 -0.057 0.000 0.948 526 K CB 0.011 32.483 32.500 -0.047 0.000 0.742 526 K HN 0.093 nan 8.250 nan 0.000 0.458 527 D N 0.696 121.047 120.400 -0.081 0.000 2.340 527 D HA 0.039 4.679 4.640 -0.000 0.000 0.220 527 D C 0.165 176.388 176.300 -0.129 0.000 1.039 527 D CA 0.355 54.295 54.000 -0.100 0.000 0.866 527 D CB 0.210 40.957 40.800 -0.087 0.000 0.913 527 D HN 0.222 nan 8.370 nan 0.000 0.523 528 M N 1.812 121.341 119.600 -0.120 0.000 2.156 528 M HA 0.085 4.565 4.480 -0.000 0.000 0.345 528 M C 0.289 176.505 176.300 -0.141 0.000 1.398 528 M CA -0.187 55.035 55.300 -0.129 0.000 1.148 528 M CB 0.677 33.217 32.600 -0.101 0.000 1.663 528 M HN -0.388 nan 8.290 nan 0.000 0.464 529 K N 3.075 123.360 120.400 -0.192 0.000 2.472 529 K HA -0.109 4.211 4.320 -0.000 0.000 0.280 529 K C 0.107 176.689 176.600 -0.029 0.000 1.028 529 K CA 0.392 56.543 56.287 -0.226 0.000 1.045 529 K CB -0.053 32.260 32.500 -0.312 0.000 0.902 529 K HN 0.795 nan 8.250 nan 0.000 0.478 530 W N 0.621 121.876 121.300 -0.075 0.000 2.902 530 W HA -0.271 4.389 4.660 -0.000 0.000 0.278 530 W C 0.158 176.622 176.519 -0.092 0.000 1.066 530 W CA 0.364 57.647 57.345 -0.103 0.000 0.570 530 W CB -1.625 27.720 29.460 -0.192 0.000 2.092 530 W HN 0.623 nan 8.180 nan 0.000 1.423 531 N N 0.503 119.241 118.700 0.064 0.000 2.639 531 N HA 0.032 4.772 4.740 -0.000 0.000 0.265 531 N C -0.141 175.356 175.510 -0.021 0.000 1.689 531 N CA 0.501 53.560 53.050 0.016 0.000 0.813 531 N CB 0.377 38.850 38.487 -0.023 0.000 1.353 531 N HN 0.251 nan 8.380 nan 0.000 0.510 532 D N -0.850 119.543 120.400 -0.011 0.000 2.538 532 D HA 0.060 4.700 4.640 -0.000 0.000 0.231 532 D C 0.160 176.448 176.300 -0.020 0.000 1.229 532 D CA -0.157 53.823 54.000 -0.033 0.000 0.828 532 D CB 0.169 40.938 40.800 -0.053 0.000 1.035 532 D HN -0.146 nan 8.370 nan 0.000 0.495 533 V N 1.834 121.743 119.914 -0.009 0.000 2.455 533 V HA 0.331 4.451 4.120 -0.000 0.000 0.273 533 V C 0.822 176.902 176.094 -0.023 0.000 1.045 533 V CA -0.133 62.162 62.300 -0.007 0.000 0.976 533 V CB 0.747 32.574 31.823 0.007 0.000 0.993 533 V HN 0.410 nan 8.190 nan 0.000 0.475 534 T N 1.447 115.984 114.554 -0.028 0.000 2.859 534 T HA 0.758 5.108 4.350 -0.000 0.000 0.281 534 T C -0.272 174.396 174.700 -0.054 0.000 1.005 534 T CA -0.578 61.495 62.100 -0.045 0.000 1.025 534 T CB 1.951 70.790 68.868 -0.048 0.000 0.977 534 T HN 0.757 nan 8.240 nan 0.000 0.458 535 T N 0.216 114.724 114.554 -0.076 0.000 2.733 535 T HA 0.273 4.623 4.350 -0.000 0.000 0.312 535 T C -2.104 172.536 174.700 -0.100 0.000 1.590 535 T CA -0.693 61.365 62.100 -0.071 0.000 1.005 535 T CB 1.843 70.685 68.868 -0.043 0.000 1.528 535 T HN 0.714 nan 8.240 nan 0.000 0.496 536 D N 2.516 122.867 120.400 -0.082 0.000 2.411 536 D HA 0.349 4.988 4.640 -0.000 0.000 0.225 536 D C -0.132 176.135 176.300 -0.054 0.000 1.156 536 D CA -0.107 53.841 54.000 -0.087 0.000 0.874 536 D CB 0.252 41.011 40.800 -0.068 0.000 1.034 536 D HN 0.426 nan 8.370 nan 0.000 0.502 537 I N 2.751 123.292 120.570 -0.048 0.000 2.337 537 I HA 0.110 4.280 4.170 -0.000 0.000 0.291 537 I C 0.376 176.485 176.117 -0.013 0.000 1.046 537 I CA -0.426 60.860 61.300 -0.023 0.000 1.324 537 I CB 1.016 39.009 38.000 -0.012 0.000 1.409 537 I HN 0.194 nan 8.210 nan 0.000 0.494 538 D N 7.212 127.605 120.400 -0.012 0.000 2.256 538 D HA 0.527 5.167 4.640 -0.000 0.000 0.240 538 D C -0.800 175.498 176.300 -0.004 0.000 1.062 538 D CA -0.323 53.672 54.000 -0.008 0.000 0.832 538 D CB 1.186 41.980 40.800 -0.010 0.000 1.135 538 D HN 0.322 nan 8.370 nan 0.000 0.484 539 I N 3.744 124.312 120.570 -0.003 0.000 2.382 539 I HA 0.195 4.365 4.170 -0.000 0.000 0.285 539 I C 0.122 176.252 176.117 0.022 0.000 1.007 539 I CA -0.842 60.462 61.300 0.006 0.000 1.142 539 I CB 1.253 39.246 38.000 -0.012 0.000 1.289 539 I HN 0.404 nan 8.210 nan 0.000 0.453 540 N N 9.086 127.811 118.700 0.043 0.000 2.440 540 N HA 0.072 4.812 4.740 -0.000 0.000 0.265 540 N C -1.656 173.917 175.510 0.104 0.000 1.239 540 N CA -1.130 51.946 53.050 0.044 0.000 0.909 540 N CB 1.423 39.927 38.487 0.027 0.000 1.066 540 N HN 0.305 nan 8.380 nan 0.000 0.474 541 P HA -0.039 nan 4.420 nan 0.000 0.223 541 P C 0.438 177.813 177.300 0.124 0.000 1.151 541 P CA 1.186 64.348 63.100 0.104 0.000 0.787 541 P CB 0.584 32.283 31.700 -0.002 0.000 0.788 542 E N -0.463 119.744 120.200 0.011 0.000 2.057 542 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 542 E C 1.939 178.377 176.600 -0.270 0.000 0.969 542 E CA 1.688 58.030 56.400 -0.097 0.000 0.812 542 E CB -0.260 29.396 29.700 -0.073 0.000 0.777 542 E HN 0.298 nan 8.360 nan 0.000 0.455 543 T N -2.526 111.922 114.554 -0.177 0.000 3.051 543 T HA -0.051 4.299 4.350 -0.000 0.000 0.255 543 T C 0.214 174.813 174.700 -0.168 0.000 1.085 543 T CA 0.072 62.041 62.100 -0.218 0.000 1.109 543 T CB 0.055 68.870 68.868 -0.087 0.000 0.921 543 T HN 0.160 nan 8.240 nan 0.000 0.488 544 Y N 0.524 120.802 120.300 -0.037 0.000 4.879 544 Y HA -0.160 4.390 4.550 -0.000 0.000 0.247 544 Y C 0.214 176.086 175.900 -0.046 0.000 0.985 544 Y CA -0.429 57.644 58.100 -0.045 0.000 2.000 544 Y CB -2.882 35.545 38.460 -0.054 0.000 1.519 544 Y HN 0.504 nan 8.280 nan 0.000 0.613 545 E N 0.369 120.623 120.200 0.091 0.000 2.392 545 E HA 0.377 4.727 4.350 -0.000 0.000 0.264 545 E C -0.026 176.592 176.600 0.030 0.000 1.024 545 E CA -0.083 56.342 56.400 0.041 0.000 0.903 545 E CB 1.150 30.860 29.700 0.017 0.000 0.963 545 E HN 0.035 nan 8.360 nan 0.000 0.432 546 V N 3.826 123.748 119.914 0.012 0.000 2.398 546 V HA 0.308 4.428 4.120 -0.000 0.000 0.286 546 V C -0.169 175.925 176.094 0.001 0.000 1.026 546 V CA -0.618 61.683 62.300 0.002 0.000 0.868 546 V CB 1.316 33.132 31.823 -0.011 0.000 0.982 546 V HN 0.568 nan 8.190 nan 0.000 0.443 547 K N 3.419 123.818 120.400 -0.001 0.000 2.426 547 K HA 0.756 5.075 4.320 -0.000 0.000 0.254 547 K C -1.555 175.041 176.600 -0.007 0.000 0.936 547 K CA -0.644 55.642 56.287 -0.002 0.000 0.801 547 K CB 2.638 35.137 32.500 -0.002 0.000 1.139 547 K HN 0.439 nan 8.250 nan 0.000 0.424 548 V N 3.332 123.242 119.914 -0.005 0.000 2.444 548 V HA 0.152 4.272 4.120 -0.000 0.000 0.294 548 V C -0.493 175.597 176.094 -0.006 0.000 1.022 548 V CA -0.559 61.736 62.300 -0.009 0.000 0.850 548 V CB 1.480 33.299 31.823 -0.007 0.000 0.992 548 V HN 0.890 nan 8.190 nan 0.000 0.426 549 D N 4.261 124.655 120.400 -0.011 0.000 2.800 549 D HA -0.177 4.463 4.640 -0.000 0.000 0.232 549 D C 1.313 177.611 176.300 -0.005 0.000 1.137 549 D CA 1.749 55.744 54.000 -0.008 0.000 0.718 549 D CB -1.168 39.629 40.800 -0.004 0.000 1.084 549 D HN 1.406 nan 8.370 nan 0.000 0.432 550 G N -0.481 108.316 108.800 -0.006 0.000 2.189 550 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.267 550 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.267 550 G C 0.127 175.026 174.900 -0.000 0.000 0.975 550 G CA 0.756 45.854 45.100 -0.004 0.000 0.644 550 G HN 0.506 nan 8.290 nan 0.000 0.537 551 E N -0.239 119.962 120.200 0.002 0.000 2.179 551 E HA 0.512 4.862 4.350 -0.000 0.000 0.275 551 E C 0.312 176.916 176.600 0.007 0.000 0.945 551 E CA -0.895 55.508 56.400 0.006 0.000 0.792 551 E CB 2.250 31.955 29.700 0.009 0.000 1.125 551 E HN 0.103 nan 8.360 nan 0.000 0.397 552 V N 4.200 124.119 119.914 0.009 0.000 2.655 552 V HA 0.022 4.142 4.120 -0.000 0.000 0.300 552 V C 0.223 176.326 176.094 0.014 0.000 1.044 552 V CA 0.118 62.425 62.300 0.010 0.000 1.095 552 V CB 0.169 31.998 31.823 0.011 0.000 0.952 552 V HN 0.513 nan 8.190 nan 0.000 0.485 553 L N 5.058 126.288 121.223 0.012 0.000 2.264 553 L HA 0.559 4.899 4.340 -0.000 0.000 0.287 553 L C 0.074 176.956 176.870 0.020 0.000 1.039 553 L CA 0.233 55.084 54.840 0.018 0.000 0.829 553 L CB 1.273 43.339 42.059 0.012 0.000 1.211 553 L HN 0.774 nan 8.230 nan 0.000 0.427 554 T N 2.492 117.067 114.554 0.035 0.000 2.923 554 T HA 0.697 5.046 4.350 -0.000 0.000 0.311 554 T C -0.842 173.904 174.700 0.078 0.000 1.183 554 T CA -0.436 61.694 62.100 0.049 0.000 1.020 554 T CB 1.337 70.233 68.868 0.047 0.000 1.165 554 T HN 0.801 nan 8.240 nan 0.000 0.482 555 C N 2.138 121.511 119.300 0.121 0.000 3.318 555 C HA 0.870 5.330 4.460 -0.000 0.000 0.322 555 C C -0.734 174.378 174.990 0.205 0.000 1.398 555 C CA -0.981 58.122 59.018 0.141 0.000 1.339 555 C CB 1.350 29.175 27.740 0.143 0.000 1.668 555 C HN 0.800 nan 8.230 nan 0.000 0.462 556 E N 1.907 122.188 120.200 0.135 0.000 2.283 556 E HA 0.552 4.902 4.350 -0.000 0.000 0.267 556 E C -2.464 174.104 176.600 -0.054 0.000 1.045 556 E CA -1.432 55.013 56.400 0.076 0.000 0.884 556 E CB 1.223 30.931 29.700 0.014 0.000 1.106 556 E HN 0.597 nan 8.360 nan 0.000 0.408 557 P HA 0.067 nan 4.420 nan 0.000 0.278 557 P C -0.229 176.866 177.300 -0.342 0.000 1.238 557 P CA -0.316 62.298 63.100 -0.810 0.000 0.794 557 P CB 0.805 31.699 31.700 -1.343 0.000 0.955 558 V N 0.032 119.801 119.914 -0.241 0.000 2.713 558 V HA 0.416 4.535 4.120 -0.000 0.000 0.307 558 V C 1.217 177.247 176.094 -0.107 0.000 1.052 558 V CA -0.574 61.653 62.300 -0.121 0.000 0.967 558 V CB 1.551 33.339 31.823 -0.058 0.000 1.019 558 V HN 0.379 nan 8.190 nan 0.000 0.459 559 K N 0.444 120.804 120.400 -0.067 0.000 2.314 559 K HA 0.243 4.562 4.320 -0.000 0.000 0.198 559 K C 0.523 177.109 176.600 -0.023 0.000 1.045 559 K CA 0.707 56.966 56.287 -0.047 0.000 0.988 559 K CB 0.409 32.889 32.500 -0.034 0.000 0.783 559 K HN 0.881 nan 8.250 nan 0.000 0.484 560 E N 0.372 120.563 120.200 -0.014 0.000 2.383 560 E HA 0.397 4.747 4.350 -0.000 0.000 0.275 560 E C -1.618 174.991 176.600 0.015 0.000 0.918 560 E CA -0.551 55.852 56.400 0.006 0.000 0.764 560 E CB 1.550 31.255 29.700 0.008 0.000 1.252 560 E HN -0.085 nan 8.360 nan 0.000 0.449 561 L N 3.105 124.350 121.223 0.036 0.000 2.371 561 L HA 0.595 4.935 4.340 -0.000 0.000 0.262 561 L C -2.198 174.717 176.870 0.075 0.000 1.006 561 L CA -1.987 52.882 54.840 0.049 0.000 0.818 561 L CB 2.126 44.218 42.059 0.054 0.000 1.354 561 L HN 0.538 nan 8.230 nan 0.000 0.415 562 P HA 0.235 nan 4.420 nan 0.000 0.277 562 P C -0.135 177.260 177.300 0.158 0.000 1.276 562 P CA -0.368 62.797 63.100 0.108 0.000 0.788 562 P CB 0.688 32.429 31.700 0.069 0.000 1.114 563 M N -2.542 117.199 119.600 0.236 0.000 2.360 563 M HA -0.251 4.228 4.480 -0.000 0.000 0.202 563 M C 0.265 176.778 176.300 0.354 0.000 0.390 563 M CA 0.902 56.297 55.300 0.159 0.000 0.470 563 M CB -2.107 30.509 32.600 0.027 0.000 1.637 563 M HN 0.612 nan 8.290 nan 0.000 0.885 564 A N -0.544 122.546 122.820 0.450 0.000 2.364 564 A HA 0.303 4.623 4.320 -0.000 0.000 0.193 564 A C 0.964 178.817 177.584 0.448 0.000 1.530 564 A CA 0.182 52.490 52.037 0.453 0.000 1.613 564 A CB 0.124 19.264 19.000 0.234 0.000 1.767 564 A HN 0.432 nan 8.150 nan 0.000 0.657 565 Q N -0.230 119.713 119.800 0.238 0.000 2.369 565 Q HA -0.006 4.334 4.340 -0.000 0.000 0.206 565 Q C 1.933 177.966 176.000 0.055 0.000 0.963 565 Q CA 0.847 56.742 55.803 0.153 0.000 0.894 565 Q CB 0.030 28.816 28.738 0.080 0.000 0.965 565 Q HN 0.526 nan 8.270 nan 0.000 0.475 566 R N -0.543 119.943 120.500 -0.024 0.000 2.189 566 R HA -0.127 4.213 4.340 -0.000 0.000 0.218 566 R C 0.790 176.839 176.300 -0.419 0.000 1.074 566 R CA 1.143 57.076 56.100 -0.279 0.000 0.991 566 R CB 0.255 30.266 30.300 -0.481 0.000 0.883 566 R HN 0.279 nan 8.270 nan 0.000 0.457 567 Y N -2.168 118.077 120.300 -0.090 0.000 2.535 567 Y HA 0.219 4.769 4.550 -0.000 0.000 0.266 567 Y C -0.015 175.687 175.900 -0.331 0.000 1.088 567 Y CA -0.292 57.656 58.100 -0.254 0.000 1.285 567 Y CB 0.509 38.642 38.460 -0.545 0.000 1.166 567 Y HN -0.171 nan 8.280 nan 0.000 0.525 568 F N -0.151 119.911 119.950 0.186 0.000 2.421 568 F HA 0.270 4.797 4.527 -0.000 0.000 0.337 568 F C 0.778 176.587 175.800 0.014 0.000 1.105 568 F CA -0.917 57.156 58.000 0.121 0.000 1.049 568 F CB 1.417 40.493 39.000 0.126 0.000 1.139 568 F HN -0.201 nan 8.300 nan 0.000 0.479 569 L N 2.168 123.495 121.223 0.174 0.000 2.240 569 L HA 0.172 4.512 4.340 -0.000 0.000 0.211 569 L C -0.342 176.247 176.870 -0.468 0.000 1.106 569 L CA 1.639 56.390 54.840 -0.148 0.000 0.793 569 L CB -0.359 41.625 42.059 -0.125 0.000 0.927 569 L HN 0.404 nan 8.230 nan 0.000 0.446 570 F N 0.000 120.041 119.950 0.151 0.000 2.286 570 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 570 F CA 0.000 58.051 58.000 0.086 0.000 1.383 570 F CB 0.000 39.029 39.000 0.048 0.000 1.145 570 F HN 0.000 nan 8.300 nan 0.000 0.574