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 2b9b_1_B DATA FIRST_RESID 20 DATA SEQUENCE LDPAALMQIG VIPTNVRQLM YYTEASSAFI VVKLMPTIDS PISGcNITSI DATA SEQUENCE SSYNATVTKL LQPIGENLET IRNQLIPTXX RRRFAGVVIG LAALGVATAA DATA SEQUENCE QVTAAVALVK ANENAAAILN LKNAIQKTNA AVADVVQATQ SLGTAVQAVQ DATA SEQUENCE DHINSVVSPA ITAANcKAQD AIIGSILNLY LTELTTIFHN QITNPALSPI DATA SEQUENCE TIQALRILLG STLPTVVEKS FNTQISAAEL LSSGLLTGQI VGLDLTYMQM DATA SEQUENCE VIKIELPTLT VQPATQIIDL ATISAFINNQ EVMAQLPTRV MVTGSLIQAY DATA SEQUENCE PASQcTITPN TVYcRYNDAQ VLSDDTMAcL QGNLTRcTFS PVVGSFLTRF DATA SEQUENCE VLFDGIVYAN cRSMLcKcMQ PAAVILQPSS SPVTVIDMYK cVSLQLDNLR DATA SEQUENCE FTITQLANVT YNSTIKLESS QILSIDPLDI SQNLAAVNKS LSDALQHLAQ DATA SEQUENCE SDTYLSAIED KIEEILSKIY HIENEIARIK KLIG 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.850 176.870 -0.033 0.000 1.165 20 L CA 0.000 54.821 54.840 -0.032 0.000 0.813 20 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 21 D N 2.768 123.147 120.400 -0.035 0.000 2.493 21 D HA 0.328 4.968 4.640 -0.000 0.000 0.235 21 D C -2.438 173.834 176.300 -0.045 0.000 1.117 21 D CA -1.180 52.799 54.000 -0.034 0.000 0.930 21 D CB 0.968 41.751 40.800 -0.029 0.000 1.010 21 D HN -0.053 nan 8.370 nan 0.000 0.514 22 P HA -0.041 nan 4.420 nan 0.000 0.255 22 P C 0.265 177.528 177.300 -0.062 0.000 1.161 22 P CA 0.118 63.169 63.100 -0.082 0.000 0.768 22 P CB 0.670 32.325 31.700 -0.075 0.000 0.746 23 A N 4.253 127.029 122.820 -0.074 0.000 2.252 23 A HA 0.180 4.500 4.320 -0.000 0.000 0.207 23 A C 1.674 179.225 177.584 -0.055 0.000 1.194 23 A CA 0.776 52.769 52.037 -0.074 0.000 0.809 23 A CB -0.643 18.310 19.000 -0.078 0.000 0.814 23 A HN 0.524 nan 8.150 nan 0.000 0.482 24 A N -0.826 121.979 122.820 -0.025 0.000 2.268 24 A HA 0.332 4.652 4.320 -0.000 0.000 0.221 24 A C 1.354 178.998 177.584 0.100 0.000 1.287 24 A CA 0.319 52.417 52.037 0.100 0.000 0.902 24 A CB -0.442 18.620 19.000 0.103 0.000 0.877 24 A HN 0.452 nan 8.150 nan 0.000 0.487 25 L N -1.527 119.715 121.223 0.031 0.000 2.529 25 L HA 0.271 4.611 4.340 -0.000 0.000 0.223 25 L C 1.937 178.820 176.870 0.022 0.000 1.113 25 L CA 1.109 55.966 54.840 0.028 0.000 0.861 25 L CB -0.487 41.564 42.059 -0.013 0.000 1.012 25 L HN 0.473 nan 8.230 nan 0.000 0.461 26 M N -1.612 117.985 119.600 -0.005 0.000 2.394 26 M HA -0.117 4.363 4.480 -0.000 0.000 0.264 26 M C 1.689 178.058 176.300 0.116 0.000 1.073 26 M CA 1.125 56.403 55.300 -0.037 0.000 1.111 26 M CB -0.080 32.414 32.600 -0.177 0.000 1.401 26 M HN 0.290 nan 8.290 nan 0.000 0.448 27 Q N -0.065 119.819 119.800 0.141 0.000 2.436 27 Q HA -0.023 4.317 4.340 -0.000 0.000 0.209 27 Q C 1.232 177.307 176.000 0.125 0.000 0.965 27 Q CA 0.536 56.424 55.803 0.141 0.000 0.910 27 Q CB 0.332 29.144 28.738 0.123 0.000 0.980 27 Q HN 0.420 nan 8.270 nan 0.000 0.491 28 I N -1.071 119.583 120.570 0.140 0.000 3.956 28 I HA 0.116 4.286 4.170 -0.000 0.000 0.333 28 I C 1.246 177.477 176.117 0.189 0.000 1.302 28 I CA 0.613 62.032 61.300 0.199 0.000 1.122 28 I CB 0.080 38.242 38.000 0.270 0.000 1.013 28 I HN 0.276 nan 8.210 nan 0.000 0.405 29 G N 1.286 110.162 108.800 0.126 0.000 2.176 29 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.253 29 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.253 29 G C 0.475 175.398 174.900 0.040 0.000 0.979 29 G CA 0.345 45.504 45.100 0.099 0.000 0.641 29 G HN 0.368 nan 8.290 nan 0.000 0.530 30 V N 1.239 121.161 119.914 0.014 0.000 2.370 30 V HA 0.844 4.964 4.120 -0.000 0.000 0.279 30 V C 0.273 176.305 176.094 -0.104 0.000 1.029 30 V CA -0.597 61.684 62.300 -0.031 0.000 0.870 30 V CB 1.146 32.956 31.823 -0.023 0.000 0.984 30 V HN 1.053 nan 8.190 nan 0.000 0.451 31 I N 4.412 124.905 120.570 -0.128 0.000 2.646 31 I HA 0.823 4.993 4.170 -0.000 0.000 0.299 31 I C -2.908 173.157 176.117 -0.087 0.000 1.036 31 I CA -2.887 58.281 61.300 -0.220 0.000 1.074 31 I CB 2.662 40.468 38.000 -0.324 0.000 1.258 31 I HN 0.387 nan 8.210 nan 0.000 0.430 32 P HA 0.246 nan 4.420 nan 0.000 0.287 32 P C 0.275 177.684 177.300 0.181 0.000 1.294 32 P CA -0.332 62.814 63.100 0.078 0.000 0.776 32 P CB 1.243 33.008 31.700 0.108 0.000 0.889 33 T N -0.859 113.748 114.554 0.089 0.000 3.015 33 T HA 0.185 4.535 4.350 -0.000 0.000 0.250 33 T C 0.454 175.169 174.700 0.025 0.000 1.057 33 T CA 0.235 62.376 62.100 0.069 0.000 1.066 33 T CB -0.146 68.740 68.868 0.031 0.000 0.959 33 T HN 0.227 nan 8.240 nan 0.000 0.488 34 N N 1.040 119.753 118.700 0.021 0.000 2.452 34 N HA 0.431 5.171 4.740 -0.000 0.000 0.277 34 N C -1.796 173.715 175.510 0.003 0.000 1.078 34 N CA -0.512 52.538 53.050 0.001 0.000 0.947 34 N CB 2.968 41.453 38.487 -0.002 0.000 1.655 34 N HN 0.262 nan 8.380 nan 0.000 0.490 35 V N -0.277 119.632 119.914 -0.008 0.000 2.448 35 V HA 0.731 4.851 4.120 -0.000 0.000 0.295 35 V C -0.225 175.857 176.094 -0.021 0.000 1.025 35 V CA -0.596 61.697 62.300 -0.012 0.000 0.859 35 V CB 1.569 33.385 31.823 -0.012 0.000 0.988 35 V HN 0.564 nan 8.190 nan 0.000 0.431 36 R N 3.007 123.493 120.500 -0.024 0.000 2.837 36 R HA 0.572 4.912 4.340 -0.000 0.000 0.271 36 R C -0.958 175.316 176.300 -0.043 0.000 0.993 36 R CA -0.855 55.228 56.100 -0.028 0.000 0.931 36 R CB 2.572 32.863 30.300 -0.016 0.000 1.206 36 R HN 0.810 nan 8.270 nan 0.000 0.474 37 Q N 0.950 120.723 119.800 -0.045 0.000 2.260 37 Q HA 0.291 4.631 4.340 -0.000 0.000 0.242 37 Q C -0.777 175.182 176.000 -0.068 0.000 0.932 37 Q CA -0.716 55.052 55.803 -0.059 0.000 0.891 37 Q CB 1.374 30.080 28.738 -0.054 0.000 1.222 37 Q HN 0.184 nan 8.270 nan 0.000 0.453 38 L N 1.861 123.030 121.223 -0.090 0.000 2.343 38 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 38 L C -1.063 175.754 176.870 -0.089 0.000 1.056 38 L CA 0.181 54.962 54.840 -0.098 0.000 0.804 38 L CB 1.179 43.139 42.059 -0.164 0.000 1.203 38 L HN 0.632 nan 8.230 nan 0.000 0.440 39 M N 5.151 124.696 119.600 -0.091 0.000 2.326 39 M HA 0.406 4.886 4.480 -0.000 0.000 0.292 39 M C -1.103 175.088 176.300 -0.182 0.000 1.081 39 M CA -0.413 54.801 55.300 -0.144 0.000 0.919 39 M CB 1.809 34.295 32.600 -0.189 0.000 1.634 39 M HN 0.647 nan 8.290 nan 0.000 0.451 40 Y N 1.201 121.409 120.300 -0.154 0.000 2.334 40 Y HA 0.587 5.137 4.550 -0.000 0.000 0.328 40 Y C -1.343 174.458 175.900 -0.165 0.000 1.130 40 Y CA -1.083 56.961 58.100 -0.093 0.000 1.163 40 Y CB 0.464 38.915 38.460 -0.014 0.000 1.207 40 Y HN 0.681 nan 8.280 nan 0.000 0.471 41 Y N 3.637 123.941 120.300 0.006 0.000 2.539 41 Y HA 0.253 4.803 4.550 -0.000 0.000 0.352 41 Y C 1.379 177.280 175.900 0.003 0.000 1.004 41 Y CA 0.299 58.399 58.100 0.000 0.000 1.278 41 Y CB 0.827 39.286 38.460 -0.002 0.000 1.136 41 Y HN 0.917 nan 8.280 nan 0.000 0.528 42 T N 1.654 116.263 114.554 0.091 0.000 2.754 42 T HA 0.002 4.352 4.350 -0.000 0.000 0.238 42 T C 0.259 175.005 174.700 0.077 0.000 1.091 42 T CA 0.433 62.572 62.100 0.064 0.000 1.358 42 T CB -0.005 68.880 68.868 0.028 0.000 1.006 42 T HN 0.481 nan 8.240 nan 0.000 0.411 43 E N 0.222 120.461 120.200 0.066 0.000 2.222 43 E HA 0.662 5.012 4.350 -0.000 0.000 0.267 43 E C -1.195 175.452 176.600 0.077 0.000 0.963 43 E CA -0.885 55.554 56.400 0.064 0.000 0.837 43 E CB 1.731 31.462 29.700 0.051 0.000 1.183 43 E HN 0.440 nan 8.360 nan 0.000 0.403 44 A N 1.384 124.246 122.820 0.069 0.000 2.411 44 A HA 0.381 4.701 4.320 -0.000 0.000 0.285 44 A C -0.550 177.083 177.584 0.080 0.000 1.129 44 A CA -0.888 51.190 52.037 0.069 0.000 0.736 44 A CB 0.741 19.769 19.000 0.047 0.000 1.186 44 A HN 0.547 nan 8.150 nan 0.000 0.445 45 S N 2.186 117.951 115.700 0.109 0.000 2.531 45 S HA 0.518 4.988 4.470 -0.000 0.000 0.279 45 S C 0.669 175.408 174.600 0.232 0.000 1.305 45 S CA 0.156 58.450 58.200 0.157 0.000 1.058 45 S CB 0.685 63.999 63.200 0.191 0.000 0.899 45 S HN 1.422 nan 8.310 nan 0.000 0.493 46 S N 1.812 117.605 115.700 0.155 0.000 2.713 46 S HA 0.968 5.438 4.470 -0.000 0.000 0.296 46 S C -0.312 174.287 174.600 -0.000 0.000 1.114 46 S CA -0.565 57.699 58.200 0.106 0.000 0.997 46 S CB 1.104 64.277 63.200 -0.046 0.000 1.249 46 S HN 1.975 nan 8.310 nan 0.000 0.534 47 A N -0.228 122.505 122.820 -0.144 0.000 2.585 47 A HA 0.590 4.910 4.320 -0.000 0.000 0.299 47 A C -1.617 175.831 177.584 -0.226 0.000 1.047 47 A CA -0.789 51.142 52.037 -0.176 0.000 0.723 47 A CB 0.121 18.849 19.000 -0.454 0.000 1.275 47 A HN 0.559 nan 8.150 nan 0.000 0.408 48 F N 1.762 121.677 119.950 -0.058 0.000 2.399 48 F HA 0.778 5.305 4.527 -0.000 0.000 0.328 48 F C 0.463 176.250 175.800 -0.022 0.000 1.084 48 F CA -0.678 57.307 58.000 -0.024 0.000 1.053 48 F CB 1.461 40.449 39.000 -0.020 0.000 1.209 48 F HN 0.327 nan 8.300 nan 0.000 0.502 49 I N 2.502 123.171 120.570 0.165 0.000 2.656 49 I HA 0.321 4.491 4.170 -0.000 0.000 0.292 49 I C -1.092 175.098 176.117 0.121 0.000 1.144 49 I CA -0.829 60.536 61.300 0.108 0.000 1.038 49 I CB 1.811 39.854 38.000 0.071 0.000 1.244 49 I HN 0.144 nan 8.210 nan 0.000 0.420 50 V N 5.893 125.866 119.914 0.099 0.000 2.384 50 V HA 0.432 4.552 4.120 -0.000 0.000 0.287 50 V C 0.070 176.220 176.094 0.093 0.000 1.020 50 V CA -0.827 61.529 62.300 0.093 0.000 0.850 50 V CB 1.862 33.728 31.823 0.072 0.000 0.987 50 V HN 0.410 nan 8.190 nan 0.000 0.436 51 V N 4.915 124.892 119.914 0.106 0.000 2.348 51 V HA 0.277 4.397 4.120 -0.000 0.000 0.270 51 V C 0.473 176.644 176.094 0.128 0.000 1.037 51 V CA -0.624 61.751 62.300 0.126 0.000 0.872 51 V CB 1.126 33.045 31.823 0.161 0.000 1.002 51 V HN 0.812 nan 8.190 nan 0.000 0.464 52 K N 4.599 125.069 120.400 0.116 0.000 2.262 52 K HA 0.332 4.652 4.320 -0.000 0.000 0.288 52 K C 0.704 177.394 176.600 0.151 0.000 1.090 52 K CA -0.224 56.132 56.287 0.115 0.000 0.918 52 K CB 0.445 32.994 32.500 0.082 0.000 1.139 52 K HN 0.639 nan 8.250 nan 0.000 0.462 53 L N 3.641 124.977 121.223 0.190 0.000 2.599 53 L HA 0.079 4.419 4.340 -0.000 0.000 0.230 53 L C 0.260 177.350 176.870 0.366 0.000 1.141 53 L CA 0.087 55.108 54.840 0.300 0.000 0.877 53 L CB -0.043 42.155 42.059 0.230 0.000 1.009 53 L HN 0.582 nan 8.230 nan 0.000 0.447 54 M N 0.357 120.095 119.600 0.230 0.000 2.263 54 M HA 0.523 5.003 4.480 -0.000 0.000 0.295 54 M C -2.746 173.600 176.300 0.076 0.000 1.028 54 M CA -2.295 53.136 55.300 0.217 0.000 0.921 54 M CB 2.035 34.736 32.600 0.168 0.000 1.601 54 M HN -0.323 nan 8.290 nan 0.000 0.440 55 P HA 0.409 nan 4.420 nan 0.000 0.276 55 P C -1.074 176.216 177.300 -0.017 0.000 1.261 55 P CA -0.378 62.700 63.100 -0.036 0.000 0.800 55 P CB 0.523 32.166 31.700 -0.097 0.000 1.066 56 T N 1.517 116.060 114.554 -0.018 0.000 2.771 56 T HA 0.461 4.811 4.350 -0.000 0.000 0.281 56 T C -0.165 174.524 174.700 -0.018 0.000 0.982 56 T CA -0.235 61.858 62.100 -0.012 0.000 0.978 56 T CB 0.086 68.952 68.868 -0.003 0.000 0.930 56 T HN 0.141 nan 8.240 nan 0.000 0.447 57 I N 4.532 125.092 120.570 -0.018 0.000 2.388 57 I HA 0.245 4.415 4.170 -0.000 0.000 0.281 57 I C 0.481 176.590 176.117 -0.013 0.000 1.046 57 I CA -0.796 60.493 61.300 -0.018 0.000 1.187 57 I CB 0.902 38.888 38.000 -0.022 0.000 1.351 57 I HN 0.663 nan 8.210 nan 0.000 0.472 58 D N 2.798 123.192 120.400 -0.010 0.000 2.213 58 D HA -0.080 4.560 4.640 -0.000 0.000 0.205 58 D C 1.023 177.320 176.300 -0.006 0.000 0.961 58 D CA 0.299 54.295 54.000 -0.006 0.000 0.853 58 D CB -0.163 40.634 40.800 -0.004 0.000 0.967 58 D HN 0.427 nan 8.370 nan 0.000 0.496 59 S N 1.790 117.486 115.700 -0.007 0.000 2.558 59 S HA 0.112 4.582 4.470 -0.000 0.000 0.293 59 S C -2.048 172.549 174.600 -0.006 0.000 1.292 59 S CA -1.167 57.029 58.200 -0.006 0.000 1.063 59 S CB 0.052 63.248 63.200 -0.006 0.000 0.831 59 S HN 0.098 nan 8.310 nan 0.000 0.499 60 P HA 0.156 nan 4.420 nan 0.000 0.265 60 P C -0.687 176.610 177.300 -0.005 0.000 1.193 60 P CA -0.140 62.958 63.100 -0.005 0.000 0.765 60 P CB 0.203 31.901 31.700 -0.003 0.000 0.823 61 I N 2.176 122.743 120.570 -0.005 0.000 2.433 61 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 61 I C 0.476 176.590 176.117 -0.004 0.000 1.001 61 I CA -0.812 60.485 61.300 -0.006 0.000 1.119 61 I CB 1.342 39.338 38.000 -0.007 0.000 1.289 61 I HN 0.383 nan 8.210 nan 0.000 0.438 62 S N 2.170 117.868 115.700 -0.004 0.000 2.672 62 S HA 0.669 5.139 4.470 -0.000 0.000 0.291 62 S C 0.286 174.884 174.600 -0.003 0.000 1.145 62 S CA -0.376 57.822 58.200 -0.003 0.000 1.013 62 S CB 1.641 64.839 63.200 -0.003 0.000 1.017 62 S HN 1.358 nan 8.310 nan 0.000 0.487 63 G N 1.096 109.895 108.800 -0.002 0.000 2.352 63 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.283 63 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.283 63 G C 0.098 174.996 174.900 -0.002 0.000 0.946 63 G CA -0.003 45.096 45.100 -0.002 0.000 1.317 63 G HN 2.001 nan 8.290 nan 0.000 0.478 64 c N 1.241 119.839 118.600 -0.003 0.000 3.178 64 c HA 0.604 5.174 4.570 -0.000 0.000 0.428 64 c C -0.508 173.580 174.090 -0.003 0.000 0.967 64 c CA -1.214 55.114 56.329 -0.003 0.000 1.205 64 c CB 1.027 43.535 42.510 -0.004 0.000 1.584 64 c HN 0.842 nan 8.230 nan 0.000 0.591 65 N N 5.290 123.989 118.700 -0.002 0.000 2.485 65 N HA 0.435 5.175 4.740 -0.000 0.000 0.243 65 N C -0.037 175.473 175.510 -0.000 0.000 0.987 65 N CA -0.653 52.397 53.050 -0.001 0.000 0.940 65 N CB 0.529 39.017 38.487 0.001 0.000 1.122 65 N HN 0.629 nan 8.380 nan 0.000 0.509 66 I N 4.043 124.612 120.570 -0.002 0.000 2.366 66 I HA -0.019 4.151 4.170 -0.000 0.000 0.302 66 I C 1.432 177.551 176.117 0.004 0.000 1.194 66 I CA 0.258 61.556 61.300 -0.003 0.000 1.667 66 I CB -1.641 36.353 38.000 -0.009 0.000 1.501 66 I HN 0.534 nan 8.210 nan 0.000 0.776 67 T N 2.907 117.465 114.554 0.006 0.000 2.653 67 T HA -0.287 4.063 4.350 -0.000 0.000 0.267 67 T C 2.054 176.769 174.700 0.025 0.000 1.037 67 T CA 2.401 64.509 62.100 0.014 0.000 1.159 67 T CB -0.147 68.728 68.868 0.011 0.000 0.859 67 T HN 0.731 nan 8.240 nan 0.000 0.449 68 S N 1.989 117.702 115.700 0.021 0.000 2.365 68 S HA -0.128 4.342 4.470 -0.000 0.000 0.225 68 S C 2.032 176.674 174.600 0.070 0.000 1.039 68 S CA 1.175 59.396 58.200 0.035 0.000 1.033 68 S CB -0.755 62.445 63.200 0.001 0.000 0.887 68 S HN 0.418 nan 8.310 nan 0.000 0.447 69 I N 2.525 123.123 120.570 0.046 0.000 2.315 69 I HA -0.143 4.027 4.170 -0.000 0.000 0.251 69 I C 2.531 178.716 176.117 0.113 0.000 1.125 69 I CA 1.270 62.617 61.300 0.079 0.000 1.392 69 I CB -1.817 36.205 38.000 0.035 0.000 1.065 69 I HN 0.362 nan 8.210 nan 0.000 0.424 70 S N 0.659 116.401 115.700 0.071 0.000 2.345 70 S HA -0.091 4.379 4.470 -0.000 0.000 0.219 70 S C 2.217 176.855 174.600 0.063 0.000 1.031 70 S CA 1.398 59.629 58.200 0.053 0.000 0.984 70 S CB -0.210 63.008 63.200 0.030 0.000 0.874 70 S HN 0.403 nan 8.310 nan 0.000 0.451 71 S N 0.948 116.692 115.700 0.073 0.000 2.359 71 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 71 S C 1.683 176.345 174.600 0.102 0.000 1.035 71 S CA 1.475 59.718 58.200 0.071 0.000 1.018 71 S CB -0.583 62.658 63.200 0.069 0.000 0.876 71 S HN 0.596 nan 8.310 nan 0.000 0.448 72 Y N 3.287 123.597 120.300 0.017 0.000 2.128 72 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 72 Y C 2.359 178.277 175.900 0.030 0.000 1.154 72 Y CA 1.786 59.904 58.100 0.030 0.000 1.149 72 Y CB -0.668 37.815 38.460 0.038 0.000 0.976 72 Y HN 0.231 nan 8.280 nan 0.000 0.505 73 N N 0.597 119.301 118.700 0.007 0.000 2.120 73 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 73 N C 1.919 177.368 175.510 -0.102 0.000 1.024 73 N CA 1.540 54.536 53.050 -0.090 0.000 0.852 73 N CB -0.373 38.126 38.487 0.019 0.000 1.003 73 N HN 0.527 nan 8.380 nan 0.000 0.424 74 A N -0.068 122.723 122.820 -0.048 0.000 1.933 74 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 74 A C 2.376 179.922 177.584 -0.063 0.000 1.175 74 A CA 1.968 53.979 52.037 -0.042 0.000 0.628 74 A CB -0.947 18.043 19.000 -0.015 0.000 0.814 74 A HN 0.421 nan 8.150 nan 0.000 0.444 75 T N -0.570 113.938 114.554 -0.076 0.000 2.770 75 T HA -0.069 4.280 4.350 -0.000 0.000 0.258 75 T C 1.891 176.514 174.700 -0.127 0.000 1.039 75 T CA 1.416 63.470 62.100 -0.077 0.000 1.143 75 T CB -0.435 68.408 68.868 -0.042 0.000 0.866 75 T HN 0.114 nan 8.240 nan 0.000 0.428 76 V N 1.839 121.603 119.914 -0.251 0.000 2.453 76 V HA -0.215 3.905 4.120 -0.000 0.000 0.252 76 V C 2.716 178.700 176.094 -0.183 0.000 1.068 76 V CA 1.992 64.130 62.300 -0.270 0.000 1.070 76 V CB -1.115 30.406 31.823 -0.503 0.000 0.664 76 V HN 0.555 nan 8.190 nan 0.000 0.461 77 T N -0.208 114.252 114.554 -0.157 0.000 2.701 77 T HA -0.134 4.216 4.350 -0.000 0.000 0.263 77 T C 2.288 176.934 174.700 -0.090 0.000 1.040 77 T CA 2.025 64.058 62.100 -0.112 0.000 1.147 77 T CB -0.350 68.468 68.868 -0.083 0.000 0.865 77 T HN 0.643 nan 8.240 nan 0.000 0.426 78 K N 0.871 121.228 120.400 -0.071 0.000 2.280 78 K HA 0.114 4.434 4.320 -0.000 0.000 0.202 78 K C 2.045 178.615 176.600 -0.049 0.000 1.047 78 K CA 1.055 57.312 56.287 -0.049 0.000 0.942 78 K CB -1.016 31.465 32.500 -0.032 0.000 0.739 78 K HN 0.287 nan 8.250 nan 0.000 0.457 79 L N -0.039 121.147 121.223 -0.062 0.000 2.044 79 L HA 0.164 4.504 4.340 -0.000 0.000 0.205 79 L C 2.073 178.876 176.870 -0.111 0.000 1.075 79 L CA 1.319 56.133 54.840 -0.044 0.000 0.747 79 L CB 0.005 42.051 42.059 -0.023 0.000 0.903 79 L HN 0.360 nan 8.230 nan 0.000 0.435 80 L N -0.603 120.509 121.223 -0.185 0.000 2.627 80 L HA -0.014 4.326 4.340 -0.000 0.000 0.233 80 L C 2.143 178.910 176.870 -0.172 0.000 1.144 80 L CA 0.214 54.890 54.840 -0.273 0.000 0.892 80 L CB -0.446 41.427 42.059 -0.309 0.000 1.039 80 L HN 0.508 nan 8.230 nan 0.000 0.442 81 Q N 1.304 121.037 119.800 -0.112 0.000 2.020 81 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 81 Q C -0.498 175.457 176.000 -0.075 0.000 0.982 81 Q CA 1.800 57.556 55.803 -0.078 0.000 0.838 81 Q CB -0.546 28.160 28.738 -0.054 0.000 0.899 81 Q HN 0.272 nan 8.270 nan 0.000 0.423 82 P HA -0.208 nan 4.420 nan 0.000 0.214 82 P C 1.246 178.504 177.300 -0.070 0.000 1.163 82 P CA 1.240 64.304 63.100 -0.061 0.000 0.889 82 P CB -0.141 31.526 31.700 -0.054 0.000 0.790 83 I N -1.036 119.475 120.570 -0.099 0.000 2.335 83 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 83 I C 2.249 178.312 176.117 -0.088 0.000 1.129 83 I CA 2.197 63.435 61.300 -0.103 0.000 1.402 83 I CB -1.772 36.115 38.000 -0.188 0.000 1.069 83 I HN 0.054 nan 8.210 nan 0.000 0.424 84 G N -0.132 108.611 108.800 -0.095 0.000 2.395 84 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.214 84 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.214 84 G C 1.591 176.461 174.900 -0.050 0.000 1.177 84 G CA 0.343 45.401 45.100 -0.070 0.000 0.794 84 G HN 0.354 nan 8.290 nan 0.000 0.532 85 E N 0.390 120.562 120.200 -0.047 0.000 2.049 85 E HA -0.216 4.134 4.350 -0.000 0.000 0.198 85 E C 2.330 178.911 176.600 -0.032 0.000 1.007 85 E CA 1.305 57.684 56.400 -0.036 0.000 0.809 85 E CB -0.201 29.478 29.700 -0.035 0.000 0.749 85 E HN 0.493 nan 8.360 nan 0.000 0.450 86 N N 0.500 119.179 118.700 -0.035 0.000 2.058 86 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 86 N C 2.133 177.626 175.510 -0.028 0.000 1.037 86 N CA 1.031 54.063 53.050 -0.030 0.000 0.848 86 N CB -0.177 38.292 38.487 -0.031 0.000 1.021 86 N HN 0.158 nan 8.380 nan 0.000 0.422 87 L N 1.859 123.063 121.223 -0.032 0.000 2.351 87 L HA -0.119 4.221 4.340 -0.000 0.000 0.220 87 L C 2.153 179.007 176.870 -0.026 0.000 1.127 87 L CA 1.575 56.397 54.840 -0.029 0.000 0.786 87 L CB -0.620 41.419 42.059 -0.033 0.000 0.914 87 L HN 0.315 nan 8.230 nan 0.000 0.443 88 E N -1.419 118.766 120.200 -0.026 0.000 2.022 88 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 88 E C 1.813 178.403 176.600 -0.017 0.000 0.973 88 E CA 1.140 57.527 56.400 -0.021 0.000 0.816 88 E CB -0.226 29.461 29.700 -0.021 0.000 0.781 88 E HN 0.380 nan 8.360 nan 0.000 0.456 89 T N 1.272 115.816 114.554 -0.016 0.000 2.836 89 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 89 T C 1.674 176.367 174.700 -0.011 0.000 1.080 89 T CA 1.426 63.519 62.100 -0.012 0.000 1.128 89 T CB -0.184 68.676 68.868 -0.013 0.000 0.839 89 T HN 0.213 nan 8.240 nan 0.000 0.507 90 I N -0.426 120.135 120.570 -0.015 0.000 2.731 90 I HA 0.057 4.227 4.170 -0.000 0.000 0.235 90 I C 2.740 178.845 176.117 -0.020 0.000 1.064 90 I CA 0.359 61.649 61.300 -0.017 0.000 1.439 90 I CB -0.285 37.702 38.000 -0.022 0.000 1.255 90 I HN -0.008 nan 8.210 nan 0.000 0.446 91 R N 1.379 121.863 120.500 -0.026 0.000 2.062 91 R HA -0.186 4.154 4.340 -0.000 0.000 0.231 91 R C 1.728 178.017 176.300 -0.019 0.000 1.136 91 R CA 2.270 58.351 56.100 -0.031 0.000 0.948 91 R CB -0.468 29.812 30.300 -0.034 0.000 0.845 91 R HN 0.233 nan 8.270 nan 0.000 0.430 92 N N -0.012 118.678 118.700 -0.015 0.000 2.449 92 N HA -0.043 4.697 4.740 -0.000 0.000 0.191 92 N C 0.443 175.951 175.510 -0.004 0.000 1.161 92 N CA 0.611 53.655 53.050 -0.010 0.000 0.863 92 N CB 0.473 38.952 38.487 -0.013 0.000 0.980 92 N HN 0.430 nan 8.380 nan 0.000 0.458 93 Q N -1.481 118.318 119.800 -0.002 0.000 1.985 93 Q HA 0.285 4.625 4.340 -0.000 0.000 0.221 93 Q C 0.158 176.163 176.000 0.008 0.000 0.728 93 Q CA 0.185 55.990 55.803 0.003 0.000 0.882 93 Q CB 1.067 29.804 28.738 -0.001 0.000 1.203 93 Q HN 0.213 nan 8.270 nan 0.000 0.441 94 L N 0.177 121.405 121.223 0.009 0.000 3.410 94 L HA 0.291 4.631 4.340 -0.000 0.000 0.309 94 L C 0.648 177.535 176.870 0.029 0.000 1.254 94 L CA 0.060 54.910 54.840 0.017 0.000 1.048 94 L CB 0.948 43.013 42.059 0.010 0.000 1.442 94 L HN 0.097 nan 8.230 nan 0.000 0.615 95 I N -0.845 119.744 120.570 0.032 0.000 4.228 95 I HA 0.189 4.359 4.170 -0.000 0.000 0.298 95 I C -0.873 175.313 176.117 0.116 0.000 1.206 95 I CA 0.223 61.556 61.300 0.056 0.000 1.322 95 I CB -1.308 36.690 38.000 -0.004 0.000 1.411 95 I HN 0.014 nan 8.210 nan 0.000 0.454 96 P HA 0.154 nan 4.420 nan 0.000 0.215 96 P C -0.065 177.292 177.300 0.096 0.000 1.144 96 P CA 1.150 64.327 63.100 0.128 0.000 0.874 96 P CB 0.541 32.276 31.700 0.058 0.000 0.796 101 R N 0.384 120.904 120.500 0.033 0.000 2.781 101 R HA 0.830 5.170 4.340 -0.000 0.000 0.269 101 R C -0.862 175.473 176.300 0.058 0.000 1.025 101 R CA -0.116 56.005 56.100 0.035 0.000 0.914 101 R CB 0.170 30.487 30.300 0.028 0.000 1.236 101 R HN 0.214 nan 8.270 nan 0.000 0.465 102 R N 0.706 121.237 120.500 0.052 0.000 2.347 102 R HA 0.611 4.951 4.340 -0.000 0.000 0.304 102 R C 0.057 176.428 176.300 0.118 0.000 1.072 102 R CA -0.278 55.868 56.100 0.077 0.000 0.980 102 R CB -0.398 29.930 30.300 0.045 0.000 0.986 102 R HN 1.015 nan 8.270 nan 0.000 0.448 103 F N 1.913 121.861 119.950 -0.003 0.000 2.628 103 F HA 0.302 4.829 4.527 -0.000 0.000 0.346 103 F C 1.061 176.862 175.800 0.001 0.000 1.188 103 F CA 0.963 58.964 58.000 0.001 0.000 1.376 103 F CB 0.976 39.978 39.000 0.004 0.000 1.104 103 F HN 0.671 nan 8.300 nan 0.000 0.616 104 A N 3.189 125.499 122.820 -0.850 0.000 2.573 104 A HA 0.480 4.800 4.320 -0.000 0.000 0.269 104 A C 0.561 177.711 177.584 -0.723 0.000 0.901 104 A CA 0.103 51.797 52.037 -0.572 0.000 1.066 104 A CB -0.814 18.005 19.000 -0.301 0.000 1.221 104 A HN 1.888 nan 8.150 nan 0.000 0.483 105 G N -0.348 107.661 108.800 -1.319 0.000 2.351 105 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.297 105 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.297 105 G C 0.743 175.429 174.900 -0.357 0.000 1.054 105 G CA 0.923 45.661 45.100 -0.603 0.000 1.123 105 G HN 1.793 nan 8.290 nan 0.000 0.512 106 V N -3.984 115.695 119.914 -0.392 0.000 3.141 106 V HA 0.593 4.713 4.120 -0.000 0.000 0.225 106 V C 1.262 177.405 176.094 0.082 0.000 1.352 106 V CA 0.758 62.996 62.300 -0.104 0.000 1.316 106 V CB 0.202 31.947 31.823 -0.130 0.000 1.126 106 V HN 1.751 nan 8.190 nan 0.000 0.493 107 V N 1.481 121.546 119.914 0.252 0.000 3.964 107 V HA -0.017 4.103 4.120 -0.000 0.000 0.444 107 V C -0.042 176.133 176.094 0.135 0.000 0.680 107 V CA 1.017 63.480 62.300 0.272 0.000 1.854 107 V CB -2.477 29.468 31.823 0.203 0.000 2.264 107 V HN 1.538 nan 8.190 nan 0.000 0.491 108 I N 1.445 122.090 120.570 0.125 0.000 3.133 108 I HA 0.998 5.168 4.170 -0.000 0.000 0.311 108 I C 1.657 177.808 176.117 0.056 0.000 1.072 108 I CA -0.346 60.996 61.300 0.070 0.000 1.015 108 I CB 1.646 39.678 38.000 0.054 0.000 1.233 108 I HN 2.296 nan 8.210 nan 0.000 0.473 109 G N 0.662 109.484 108.800 0.037 0.000 2.203 109 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.263 109 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.263 109 G C 0.726 175.639 174.900 0.022 0.000 1.012 109 G CA 0.679 45.795 45.100 0.027 0.000 0.749 109 G HN 1.366 nan 8.290 nan 0.000 0.512 110 L N -0.557 120.680 121.223 0.024 0.000 2.263 110 L HA -0.116 4.224 4.340 -0.000 0.000 0.216 110 L C 3.139 180.015 176.870 0.010 0.000 1.111 110 L CA 1.458 56.309 54.840 0.018 0.000 0.773 110 L CB -0.502 41.569 42.059 0.020 0.000 0.906 110 L HN 0.494 nan 8.230 nan 0.000 0.439 111 A N 0.069 122.895 122.820 0.010 0.000 2.131 111 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 111 A C 2.474 180.060 177.584 0.003 0.000 1.158 111 A CA 1.508 53.549 52.037 0.006 0.000 0.665 111 A CB -0.460 18.544 19.000 0.007 0.000 0.795 111 A HN 0.436 nan 8.150 nan 0.000 0.460 112 A N -0.841 121.982 122.820 0.004 0.000 2.067 112 A HA 0.120 4.440 4.320 -0.000 0.000 0.219 112 A C 1.640 179.222 177.584 -0.003 0.000 1.158 112 A CA 1.185 53.222 52.037 0.000 0.000 0.661 112 A CB -0.319 18.682 19.000 0.001 0.000 0.801 112 A HN 0.390 nan 8.150 nan 0.000 0.452 113 L N -0.863 120.359 121.223 -0.003 0.000 2.610 113 L HA 0.206 4.546 4.340 -0.000 0.000 0.232 113 L C 1.794 178.660 176.870 -0.006 0.000 1.149 113 L CA 0.914 55.750 54.840 -0.006 0.000 0.872 113 L CB -1.481 40.575 42.059 -0.005 0.000 0.992 113 L HN 0.597 nan 8.230 nan 0.000 0.447 114 G N -0.446 108.352 108.800 -0.004 0.000 2.583 114 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.292 114 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.292 114 G C 0.070 174.968 174.900 -0.004 0.000 1.203 114 G CA -0.002 45.095 45.100 -0.004 0.000 0.987 114 G HN 0.206 nan 8.290 nan 0.000 0.554 115 V N 1.388 121.299 119.914 -0.005 0.000 2.461 115 V HA 0.702 4.822 4.120 -0.000 0.000 0.275 115 V C 0.603 176.694 176.094 -0.006 0.000 1.047 115 V CA 0.901 63.199 62.300 -0.005 0.000 0.955 115 V CB 0.510 32.330 31.823 -0.005 0.000 0.988 115 V HN 2.306 nan 8.190 nan 0.000 0.471 116 A N 4.562 127.379 122.820 -0.005 0.000 2.449 116 A HA 0.823 5.143 4.320 -0.000 0.000 0.302 116 A C -0.050 177.531 177.584 -0.006 0.000 1.048 116 A CA -0.116 51.917 52.037 -0.006 0.000 0.708 116 A CB 1.873 20.869 19.000 -0.006 0.000 1.274 116 A HN 1.166 nan 8.150 nan 0.000 0.410 117 T N -0.720 113.830 114.554 -0.008 0.000 2.816 117 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 117 T C 1.473 176.169 174.700 -0.007 0.000 0.993 117 T CA 0.185 62.280 62.100 -0.008 0.000 0.994 117 T CB 1.172 70.033 68.868 -0.010 0.000 1.025 117 T HN 1.635 nan 8.240 nan 0.000 0.529 118 A N 1.360 124.176 122.820 -0.006 0.000 1.892 118 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 118 A C 2.698 180.277 177.584 -0.008 0.000 1.188 118 A CA 2.378 54.413 52.037 -0.004 0.000 0.631 118 A CB -1.680 17.319 19.000 -0.003 0.000 0.822 118 A HN 1.342 nan 8.150 nan 0.000 0.447 119 A N -0.877 121.936 122.820 -0.013 0.000 1.908 119 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 119 A C 2.143 179.717 177.584 -0.018 0.000 1.181 119 A CA 1.830 53.856 52.037 -0.018 0.000 0.627 119 A CB -0.612 18.374 19.000 -0.024 0.000 0.818 119 A HN 0.708 nan 8.150 nan 0.000 0.445 120 Q N -0.577 119.215 119.800 -0.015 0.000 1.990 120 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 120 Q C 2.178 178.170 176.000 -0.013 0.000 0.980 120 Q CA 1.680 57.474 55.803 -0.014 0.000 0.832 120 Q CB -0.489 28.241 28.738 -0.013 0.000 0.897 120 Q HN 0.455 nan 8.270 nan 0.000 0.427 121 V N 1.081 120.990 119.914 -0.008 0.000 2.324 121 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 121 V C 2.248 178.339 176.094 -0.005 0.000 1.060 121 V CA 2.279 64.576 62.300 -0.004 0.000 1.042 121 V CB -1.032 30.792 31.823 0.001 0.000 0.650 121 V HN 0.477 nan 8.190 nan 0.000 0.450 122 T N 0.201 114.751 114.554 -0.006 0.000 2.759 122 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 122 T C 2.018 176.710 174.700 -0.013 0.000 1.042 122 T CA 1.674 63.770 62.100 -0.006 0.000 1.140 122 T CB -0.399 68.464 68.868 -0.008 0.000 0.864 122 T HN 0.611 nan 8.240 nan 0.000 0.455 123 A N 1.339 124.147 122.820 -0.019 0.000 1.897 123 A HA 0.278 4.598 4.320 -0.000 0.000 0.215 123 A C 2.671 180.237 177.584 -0.029 0.000 1.181 123 A CA 1.607 53.629 52.037 -0.024 0.000 0.620 123 A CB -1.105 17.881 19.000 -0.023 0.000 0.821 123 A HN 0.488 nan 8.150 nan 0.000 0.443 124 A N -0.489 122.315 122.820 -0.027 0.000 1.908 124 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 124 A C 2.252 179.802 177.584 -0.056 0.000 1.181 124 A CA 1.880 53.896 52.037 -0.036 0.000 0.627 124 A CB -0.968 18.018 19.000 -0.024 0.000 0.818 124 A HN 0.359 nan 8.150 nan 0.000 0.445 125 V N -0.271 119.619 119.914 -0.039 0.000 2.237 125 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 125 V C 3.072 179.119 176.094 -0.078 0.000 1.046 125 V CA 2.101 64.372 62.300 -0.048 0.000 1.007 125 V CB -1.172 30.652 31.823 0.000 0.000 0.638 125 V HN 0.627 nan 8.190 nan 0.000 0.445 126 A N -0.878 121.916 122.820 -0.044 0.000 2.024 126 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 126 A C 2.225 179.781 177.584 -0.047 0.000 1.164 126 A CA 1.919 53.935 52.037 -0.035 0.000 0.643 126 A CB -0.513 18.474 19.000 -0.023 0.000 0.806 126 A HN 0.509 nan 8.150 nan 0.000 0.451 127 L N 0.130 121.315 121.223 -0.062 0.000 1.948 127 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 127 L C 2.735 179.543 176.870 -0.104 0.000 1.074 127 L CA 2.308 57.114 54.840 -0.057 0.000 0.753 127 L CB -0.518 41.507 42.059 -0.057 0.000 0.888 127 L HN 0.425 nan 8.230 nan 0.000 0.432 128 V N -1.514 118.279 119.914 -0.202 0.000 2.453 128 V HA -0.313 3.807 4.120 -0.000 0.000 0.252 128 V C 2.460 178.292 176.094 -0.438 0.000 1.068 128 V CA 2.317 64.397 62.300 -0.367 0.000 1.070 128 V CB -0.909 30.549 31.823 -0.608 0.000 0.664 128 V HN 0.563 nan 8.190 nan 0.000 0.461 129 K N 0.902 121.107 120.400 -0.325 0.000 2.097 129 K HA 0.009 4.329 4.320 -0.000 0.000 0.205 129 K C 2.033 178.611 176.600 -0.036 0.000 1.050 129 K CA 1.540 57.724 56.287 -0.170 0.000 0.938 129 K CB -0.371 32.098 32.500 -0.052 0.000 0.718 129 K HN 0.612 nan 8.250 nan 0.000 0.442 130 A N 1.144 123.971 122.820 0.011 0.000 2.178 130 A HA -0.059 4.261 4.320 -0.000 0.000 0.211 130 A C 1.666 179.279 177.584 0.048 0.000 1.157 130 A CA 0.433 52.548 52.037 0.129 0.000 0.780 130 A CB -0.508 18.678 19.000 0.310 0.000 0.828 130 A HN 0.435 nan 8.150 nan 0.000 0.476 131 N N 1.140 119.828 118.700 -0.019 0.000 2.111 131 N HA -0.285 4.455 4.740 -0.000 0.000 0.197 131 N C 1.570 177.050 175.510 -0.050 0.000 1.011 131 N CA 2.217 55.244 53.050 -0.039 0.000 0.880 131 N CB -0.283 38.160 38.487 -0.072 0.000 1.031 131 N HN 0.718 nan 8.380 nan 0.000 0.444 132 E N -0.092 120.079 120.200 -0.047 0.000 2.038 132 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 132 E C 1.548 178.073 176.600 -0.125 0.000 1.000 132 E CA 1.355 57.720 56.400 -0.058 0.000 0.803 132 E CB -0.065 29.620 29.700 -0.026 0.000 0.750 132 E HN 0.470 nan 8.360 nan 0.000 0.448 133 N N 0.366 118.944 118.700 -0.204 0.000 2.309 133 N HA -0.131 4.609 4.740 -0.000 0.000 0.182 133 N C 1.611 176.858 175.510 -0.439 0.000 1.018 133 N CA 1.011 53.811 53.050 -0.416 0.000 0.876 133 N CB -0.250 37.768 38.487 -0.782 0.000 0.972 133 N HN 0.213 nan 8.380 nan 0.000 0.434 134 A N 1.635 124.294 122.820 -0.269 0.000 1.835 134 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 134 A C 2.439 179.960 177.584 -0.105 0.000 1.199 134 A CA 2.014 53.976 52.037 -0.125 0.000 0.615 134 A CB -1.088 17.912 19.000 -0.000 0.000 0.838 134 A HN 0.286 nan 8.150 nan 0.000 0.444 135 A N -0.302 122.466 122.820 -0.087 0.000 1.978 135 A HA 0.104 4.424 4.320 -0.000 0.000 0.220 135 A C 2.455 179.984 177.584 -0.091 0.000 1.170 135 A CA 2.268 54.259 52.037 -0.076 0.000 0.636 135 A CB -1.036 17.928 19.000 -0.060 0.000 0.810 135 A HN 1.125 nan 8.150 nan 0.000 0.448 136 A N 0.233 122.985 122.820 -0.114 0.000 1.851 136 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 136 A C 2.142 179.662 177.584 -0.108 0.000 1.195 136 A CA 1.683 53.652 52.037 -0.113 0.000 0.622 136 A CB -0.676 18.239 19.000 -0.142 0.000 0.831 136 A HN 0.505 nan 8.150 nan 0.000 0.444 137 I N -0.328 120.166 120.570 -0.126 0.000 2.179 137 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 137 I C 1.826 177.898 176.117 -0.075 0.000 1.088 137 I CA 1.081 62.325 61.300 -0.092 0.000 1.357 137 I CB -0.346 37.603 38.000 -0.085 0.000 1.051 137 I HN 0.240 nan 8.210 nan 0.000 0.409 138 L N 1.122 122.299 121.223 -0.077 0.000 2.784 138 L HA -0.145 4.195 4.340 -0.000 0.000 0.247 138 L C 1.407 178.202 176.870 -0.125 0.000 1.162 138 L CA 0.536 55.323 54.840 -0.089 0.000 0.881 138 L CB -0.805 41.210 42.059 -0.074 0.000 1.032 138 L HN 0.345 nan 8.230 nan 0.000 0.446 139 N N -0.436 118.198 118.700 -0.109 0.000 2.227 139 N HA 0.058 4.798 4.740 -0.000 0.000 0.196 139 N C 1.084 176.531 175.510 -0.105 0.000 1.142 139 N CA 0.188 53.171 53.050 -0.111 0.000 0.887 139 N CB 0.414 38.851 38.487 -0.084 0.000 1.022 139 N HN 0.214 nan 8.380 nan 0.000 0.500 140 L N 0.415 121.585 121.223 -0.089 0.000 2.791 140 L HA 0.249 4.589 4.340 -0.000 0.000 0.239 140 L C 1.268 178.104 176.870 -0.058 0.000 1.203 140 L CA -0.135 54.668 54.840 -0.060 0.000 1.002 140 L CB 0.002 42.037 42.059 -0.039 0.000 1.295 140 L HN 0.053 nan 8.230 nan 0.000 0.504 141 K N 0.852 121.171 120.400 -0.134 0.000 1.986 141 K HA -0.285 4.035 4.320 -0.000 0.000 0.230 141 K C 1.539 178.177 176.600 0.062 0.000 1.048 141 K CA 2.403 58.594 56.287 -0.159 0.000 1.008 141 K CB -0.434 31.623 32.500 -0.738 0.000 0.737 141 K HN 0.258 nan 8.250 nan 0.000 0.447 142 N N 0.572 119.338 118.700 0.110 0.000 2.096 142 N HA -0.254 4.486 4.740 -0.000 0.000 0.195 142 N C 1.753 177.331 175.510 0.115 0.000 1.017 142 N CA 1.825 55.007 53.050 0.219 0.000 0.870 142 N CB -0.425 38.162 38.487 0.166 0.000 1.024 142 N HN 0.391 nan 8.380 nan 0.000 0.434 143 A N 0.559 123.415 122.820 0.059 0.000 1.908 143 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 143 A C 2.195 179.807 177.584 0.047 0.000 1.181 143 A CA 1.167 53.228 52.037 0.039 0.000 0.627 143 A CB -0.691 18.320 19.000 0.017 0.000 0.818 143 A HN 0.263 nan 8.150 nan 0.000 0.445 144 I N -1.194 119.409 120.570 0.055 0.000 2.202 144 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 144 I C 2.787 178.951 176.117 0.078 0.000 1.091 144 I CA 1.779 63.115 61.300 0.060 0.000 1.368 144 I CB -0.375 37.662 38.000 0.062 0.000 1.058 144 I HN 0.372 nan 8.210 nan 0.000 0.410 145 Q N 1.342 121.214 119.800 0.121 0.000 2.020 145 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 145 Q C 2.148 178.183 176.000 0.058 0.000 0.982 145 Q CA 1.701 57.567 55.803 0.104 0.000 0.838 145 Q CB -0.008 28.814 28.738 0.141 0.000 0.899 145 Q HN 0.162 nan 8.270 nan 0.000 0.423 146 K N 0.035 120.472 120.400 0.061 0.000 2.147 146 K HA -0.033 4.287 4.320 -0.000 0.000 0.205 146 K C 0.731 177.347 176.600 0.027 0.000 1.049 146 K CA 0.794 57.103 56.287 0.036 0.000 0.936 146 K CB -0.815 31.709 32.500 0.039 0.000 0.722 146 K HN 0.231 nan 8.250 nan 0.000 0.446 147 T N 1.884 116.456 114.554 0.031 0.000 2.919 147 T HA 0.026 4.376 4.350 -0.000 0.000 0.302 147 T C -0.040 174.670 174.700 0.018 0.000 1.031 147 T CA -0.335 61.778 62.100 0.022 0.000 1.127 147 T CB 0.259 69.140 68.868 0.022 0.000 0.952 147 T HN 0.071 nan 8.240 nan 0.000 0.540 148 N N 2.896 121.602 118.700 0.011 0.000 2.626 148 N HA 0.544 5.284 4.740 -0.000 0.000 0.242 148 N C -1.292 174.221 175.510 0.004 0.000 1.005 148 N CA -0.397 52.657 53.050 0.006 0.000 0.905 148 N CB 0.911 39.400 38.487 0.002 0.000 1.128 148 N HN 0.783 nan 8.380 nan 0.000 0.512 149 A N 1.681 124.504 122.820 0.005 0.000 2.608 149 A HA 0.696 5.016 4.320 -0.000 0.000 0.292 149 A C 0.165 177.751 177.584 0.003 0.000 1.066 149 A CA -0.091 51.949 52.037 0.004 0.000 0.676 149 A CB 0.519 19.523 19.000 0.007 0.000 1.277 149 A HN 0.457 nan 8.150 nan 0.000 0.413 150 A N -0.013 122.807 122.820 0.001 0.000 1.898 150 A HA 0.431 4.751 4.320 -0.000 0.000 0.214 150 A C 0.603 178.193 177.584 0.010 0.000 1.183 150 A CA 1.833 53.870 52.037 -0.000 0.000 0.622 150 A CB -0.227 18.772 19.000 -0.002 0.000 0.824 150 A HN 1.376 nan 8.150 nan 0.000 0.444 151 V N 0.049 119.970 119.914 0.012 0.000 2.409 151 V HA 0.648 4.768 4.120 -0.000 0.000 0.290 151 V C -0.368 175.735 176.094 0.014 0.000 1.017 151 V CA -0.229 62.081 62.300 0.017 0.000 0.841 151 V CB 0.858 32.690 31.823 0.016 0.000 1.003 151 V HN 0.547 nan 8.190 nan 0.000 0.426 152 A N 3.089 125.919 122.820 0.018 0.000 2.330 152 A HA 0.629 4.949 4.320 -0.000 0.000 0.313 152 A C -0.509 177.084 177.584 0.014 0.000 1.124 152 A CA -0.548 51.498 52.037 0.015 0.000 0.774 152 A CB 1.035 20.046 19.000 0.018 0.000 1.198 152 A HN 0.733 nan 8.150 nan 0.000 0.465 153 D N 2.492 122.897 120.400 0.009 0.000 2.417 153 D HA 0.214 4.854 4.640 -0.000 0.000 0.250 153 D C -0.358 175.945 176.300 0.004 0.000 1.166 153 D CA 0.462 54.465 54.000 0.005 0.000 0.881 153 D CB 1.063 41.863 40.800 0.000 0.000 1.164 153 D HN 0.170 nan 8.370 nan 0.000 0.467 154 V N 5.120 125.036 119.914 0.003 0.000 2.432 154 V HA 0.238 4.358 4.120 -0.000 0.000 0.271 154 V C 0.517 176.604 176.094 -0.012 0.000 1.046 154 V CA -0.475 61.823 62.300 -0.003 0.000 0.945 154 V CB 1.062 32.883 31.823 -0.003 0.000 0.992 154 V HN 0.433 nan 8.190 nan 0.000 0.471 155 V N 3.142 123.048 119.914 -0.013 0.000 3.001 155 V HA 0.825 4.945 4.120 -0.000 0.000 0.314 155 V C -0.743 175.338 176.094 -0.021 0.000 1.099 155 V CA -0.807 61.483 62.300 -0.017 0.000 0.989 155 V CB 1.945 33.761 31.823 -0.011 0.000 1.040 155 V HN 0.851 nan 8.190 nan 0.000 0.434 156 Q N 2.598 122.383 119.800 -0.024 0.000 2.961 156 Q HA 0.607 4.947 4.340 -0.000 0.000 0.223 156 Q C -0.378 175.608 176.000 -0.022 0.000 0.859 156 Q CA 0.235 56.023 55.803 -0.026 0.000 0.771 156 Q CB 0.966 29.683 28.738 -0.036 0.000 1.389 156 Q HN 2.727 nan 8.270 nan 0.000 0.460 157 A N 2.682 125.491 122.820 -0.017 0.000 2.632 157 A HA -0.120 4.200 4.320 -0.000 0.000 0.294 157 A C 0.590 178.166 177.584 -0.013 0.000 1.447 157 A CA 1.133 53.162 52.037 -0.014 0.000 0.728 157 A CB -2.700 16.291 19.000 -0.015 0.000 1.102 157 A HN 2.114 nan 8.150 nan 0.000 0.422 158 T N -3.224 111.323 114.554 -0.011 0.000 3.946 158 T HA -0.202 4.148 4.350 -0.000 0.000 0.356 158 T C -0.284 174.410 174.700 -0.011 0.000 0.758 158 T CA 2.288 64.382 62.100 -0.009 0.000 1.911 158 T CB -2.317 66.547 68.868 -0.007 0.000 1.835 158 T HN 2.072 nan 8.240 nan 0.000 0.807 159 Q N -0.430 119.361 119.800 -0.014 0.000 2.309 159 Q HA 0.556 4.896 4.340 -0.000 0.000 0.273 159 Q C -1.100 174.888 176.000 -0.020 0.000 1.040 159 Q CA -0.812 54.981 55.803 -0.017 0.000 0.834 159 Q CB 2.450 31.176 28.738 -0.021 0.000 1.345 159 Q HN 0.313 nan 8.270 nan 0.000 0.414 160 S N 2.600 118.289 115.700 -0.018 0.000 2.416 160 S HA 0.240 4.710 4.470 -0.000 0.000 0.287 160 S C 0.896 175.482 174.600 -0.024 0.000 1.139 160 S CA -0.327 57.862 58.200 -0.018 0.000 1.058 160 S CB 0.299 63.490 63.200 -0.014 0.000 0.967 160 S HN 0.527 nan 8.310 nan 0.000 0.495 161 L N 3.082 124.283 121.223 -0.036 0.000 2.599 161 L HA 0.229 4.569 4.340 -0.000 0.000 0.230 161 L C 1.368 178.223 176.870 -0.026 0.000 1.141 161 L CA 0.174 54.973 54.840 -0.068 0.000 0.877 161 L CB -0.613 41.386 42.059 -0.099 0.000 1.009 161 L HN 0.913 nan 8.230 nan 0.000 0.447 162 G N -0.865 107.942 108.800 0.012 0.000 2.288 162 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.227 162 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.227 162 G C -0.939 173.977 174.900 0.027 0.000 1.339 162 G CA -0.546 44.586 45.100 0.053 0.000 1.057 162 G HN -0.115 nan 8.290 nan 0.000 0.470 163 T N 0.471 115.050 114.554 0.041 0.000 2.886 163 T HA 0.786 5.136 4.350 -0.000 0.000 0.292 163 T C -0.024 174.703 174.700 0.045 0.000 1.012 163 T CA 0.436 62.553 62.100 0.029 0.000 0.982 163 T CB 1.675 70.552 68.868 0.015 0.000 1.018 163 T HN 1.736 nan 8.240 nan 0.000 0.451 164 A N 1.969 124.812 122.820 0.038 0.000 2.317 164 A HA 0.890 5.210 4.320 -0.000 0.000 0.327 164 A C -0.614 176.997 177.584 0.045 0.000 1.178 164 A CA -0.759 51.306 52.037 0.047 0.000 0.817 164 A CB 1.170 20.195 19.000 0.041 0.000 1.189 164 A HN 0.761 nan 8.150 nan 0.000 0.489 165 V N 1.855 121.802 119.914 0.055 0.000 2.971 165 V HA 0.722 4.842 4.120 -0.000 0.000 0.309 165 V C -1.549 174.574 176.094 0.048 0.000 1.130 165 V CA -0.470 61.859 62.300 0.048 0.000 0.964 165 V CB 2.242 34.098 31.823 0.055 0.000 1.029 165 V HN 1.103 nan 8.190 nan 0.000 0.427 166 Q N 4.773 124.585 119.800 0.021 0.000 2.320 166 Q HA 0.700 5.040 4.340 -0.000 0.000 0.268 166 Q C 0.241 176.205 176.000 -0.060 0.000 1.023 166 Q CA 0.346 56.141 55.803 -0.014 0.000 0.744 166 Q CB 1.595 30.322 28.738 -0.018 0.000 1.246 166 Q HN 1.023 nan 8.270 nan 0.000 0.462 167 A N 3.389 126.139 122.820 -0.116 0.000 1.972 167 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 167 A C 1.172 178.636 177.584 -0.200 0.000 1.169 167 A CA 1.768 53.717 52.037 -0.146 0.000 0.635 167 A CB 0.026 18.936 19.000 -0.151 0.000 0.810 167 A HN 0.558 nan 8.150 nan 0.000 0.446 168 V N -0.816 118.911 119.914 -0.312 0.000 3.660 168 V HA -0.048 4.072 4.120 -0.000 0.000 0.276 168 V C 2.189 178.217 176.094 -0.110 0.000 1.317 168 V CA 1.120 63.279 62.300 -0.235 0.000 1.097 168 V CB 0.306 31.887 31.823 -0.403 0.000 0.863 168 V HN 0.621 nan 8.190 nan 0.000 0.438 169 Q N 1.524 121.269 119.800 -0.091 0.000 1.998 169 Q HA -0.270 4.070 4.340 -0.000 0.000 0.209 169 Q C 1.688 177.682 176.000 -0.010 0.000 1.002 169 Q CA 2.839 58.614 55.803 -0.047 0.000 0.858 169 Q CB -0.406 28.312 28.738 -0.032 0.000 0.932 169 Q HN 0.658 nan 8.270 nan 0.000 0.416 170 D N -0.923 119.476 120.400 -0.001 0.000 2.154 170 D HA -0.227 4.413 4.640 -0.000 0.000 0.190 170 D C 1.805 178.129 176.300 0.040 0.000 1.003 170 D CA 1.718 55.722 54.000 0.007 0.000 0.849 170 D CB -0.455 40.340 40.800 -0.007 0.000 0.942 170 D HN 0.366 nan 8.370 nan 0.000 0.446 171 H N 0.440 119.479 119.070 -0.052 0.000 2.289 171 H HA -0.112 4.444 4.556 -0.000 0.000 0.296 171 H C 2.173 177.470 175.328 -0.051 0.000 1.091 171 H CA 1.085 57.104 56.048 -0.049 0.000 1.274 171 H CB -0.482 29.245 29.762 -0.059 0.000 1.364 171 H HN 0.101 nan 8.280 nan 0.000 0.490 172 I N 1.170 121.797 120.570 0.095 0.000 2.194 172 I HA -0.291 3.879 4.170 -0.000 0.000 0.246 172 I C 1.965 178.094 176.117 0.021 0.000 1.093 172 I CA 1.126 62.428 61.300 0.004 0.000 1.355 172 I CB -0.913 37.053 38.000 -0.058 0.000 1.046 172 I HN 0.306 nan 8.210 nan 0.000 0.413 173 N N 0.837 119.549 118.700 0.020 0.000 2.166 173 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 173 N C 1.993 177.512 175.510 0.016 0.000 1.019 173 N CA 1.348 54.404 53.050 0.010 0.000 0.856 173 N CB -0.360 38.129 38.487 0.003 0.000 0.993 173 N HN 0.278 nan 8.380 nan 0.000 0.426 174 S N 0.267 115.985 115.700 0.030 0.000 2.368 174 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 174 S C 2.235 176.855 174.600 0.034 0.000 1.030 174 S CA 0.760 58.973 58.200 0.022 0.000 0.999 174 S CB -0.208 62.996 63.200 0.007 0.000 0.844 174 S HN 0.084 nan 8.310 nan 0.000 0.459 175 V N 1.408 121.358 119.914 0.060 0.000 2.273 175 V HA 0.010 4.130 4.120 -0.000 0.000 0.242 175 V C 1.202 177.304 176.094 0.015 0.000 1.035 175 V CA 0.519 62.845 62.300 0.044 0.000 1.013 175 V CB -0.597 31.257 31.823 0.052 0.000 0.652 175 V HN 0.270 nan 8.190 nan 0.000 0.452 176 V N 1.922 121.839 119.914 0.004 0.000 2.726 176 V HA -0.097 4.023 4.120 -0.000 0.000 0.304 176 V C 0.760 176.853 176.094 -0.002 0.000 1.115 176 V CA 0.796 63.093 62.300 -0.006 0.000 1.264 176 V CB 0.601 32.417 31.823 -0.011 0.000 0.867 176 V HN 0.523 nan 8.190 nan 0.000 0.498 177 S N 6.449 122.146 115.700 -0.004 0.000 2.565 177 S HA 0.277 4.747 4.470 -0.000 0.000 0.276 177 S C -1.121 173.477 174.600 -0.004 0.000 1.326 177 S CA -1.153 57.046 58.200 -0.003 0.000 1.045 177 S CB 1.222 64.419 63.200 -0.003 0.000 0.918 177 S HN 0.638 nan 8.310 nan 0.000 0.505 178 P HA 0.015 nan 4.420 nan 0.000 0.217 178 P C -0.465 176.833 177.300 -0.003 0.000 1.148 178 P CA 1.161 64.259 63.100 -0.003 0.000 0.834 178 P CB 0.153 31.852 31.700 -0.002 0.000 0.783 179 A N -0.825 121.993 122.820 -0.003 0.000 2.547 179 A HA 0.428 4.748 4.320 -0.000 0.000 0.279 179 A C -0.640 176.941 177.584 -0.004 0.000 1.088 179 A CA -0.505 51.529 52.037 -0.004 0.000 0.796 179 A CB 0.354 19.353 19.000 -0.003 0.000 1.308 179 A HN -0.102 nan 8.150 nan 0.000 0.415 180 I N 3.749 124.316 120.570 -0.005 0.000 2.363 180 I HA 0.245 4.415 4.170 -0.000 0.000 0.292 180 I C 1.094 177.208 176.117 -0.005 0.000 1.075 180 I CA 0.244 61.541 61.300 -0.006 0.000 1.333 180 I CB 0.905 38.901 38.000 -0.007 0.000 1.415 180 I HN 0.797 nan 8.210 nan 0.000 0.502 181 T N 2.206 116.757 114.554 -0.004 0.000 2.844 181 T HA 0.545 4.895 4.350 -0.000 0.000 0.274 181 T C 0.988 175.686 174.700 -0.003 0.000 0.991 181 T CA -0.301 61.797 62.100 -0.003 0.000 0.983 181 T CB 1.640 70.506 68.868 -0.002 0.000 1.310 181 T HN 0.471 nan 8.240 nan 0.000 0.596 182 A N -0.500 122.319 122.820 -0.002 0.000 2.167 182 A HA 0.482 4.802 4.320 -0.000 0.000 0.214 182 A C 2.256 179.839 177.584 -0.002 0.000 1.151 182 A CA 1.076 53.112 52.037 -0.002 0.000 0.735 182 A CB -1.274 17.725 19.000 -0.001 0.000 0.802 182 A HN 1.078 nan 8.150 nan 0.000 0.467 183 A N -0.075 122.744 122.820 -0.002 0.000 1.943 183 A HA 0.005 4.325 4.320 -0.000 0.000 0.213 183 A C 1.808 179.391 177.584 -0.002 0.000 1.181 183 A CA 1.032 53.068 52.037 -0.002 0.000 0.653 183 A CB -0.222 18.777 19.000 -0.001 0.000 0.833 183 A HN 0.460 nan 8.150 nan 0.000 0.451 184 N N -0.438 118.260 118.700 -0.003 0.000 2.376 184 N HA -0.074 4.666 4.740 -0.000 0.000 0.177 184 N C 1.590 177.098 175.510 -0.004 0.000 1.024 184 N CA 0.835 53.883 53.050 -0.003 0.000 0.893 184 N CB -0.728 37.757 38.487 -0.004 0.000 0.980 184 N HN 0.485 nan 8.380 nan 0.000 0.439 185 c N 1.978 120.575 118.600 -0.004 0.000 2.351 185 c HA -0.283 4.287 4.570 -0.000 0.000 0.265 185 c C 2.709 176.796 174.090 -0.005 0.000 1.114 185 c CA 1.604 57.930 56.329 -0.004 0.000 1.788 185 c CB -0.980 41.528 42.510 -0.003 0.000 1.722 185 c HN 0.487 nan 8.230 nan 0.000 0.388 186 K N 0.093 120.491 120.400 -0.003 0.000 2.107 186 K HA -0.262 4.058 4.320 -0.000 0.000 0.211 186 K C 2.021 178.618 176.600 -0.004 0.000 1.049 186 K CA 2.184 58.469 56.287 -0.003 0.000 0.927 186 K CB -0.456 32.043 32.500 -0.002 0.000 0.714 186 K HN 0.624 nan 8.250 nan 0.000 0.452 187 A N 0.819 123.636 122.820 -0.004 0.000 1.873 187 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 187 A C 2.094 179.674 177.584 -0.008 0.000 1.186 187 A CA 1.369 53.403 52.037 -0.005 0.000 0.616 187 A CB -0.458 18.540 19.000 -0.003 0.000 0.823 187 A HN 0.387 nan 8.150 nan 0.000 0.442 188 Q N -0.434 119.361 119.800 -0.009 0.000 2.079 188 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 188 Q C 1.706 177.695 176.000 -0.019 0.000 0.974 188 Q CA 1.719 57.513 55.803 -0.014 0.000 0.840 188 Q CB -0.596 28.135 28.738 -0.012 0.000 0.898 188 Q HN 0.714 nan 8.270 nan 0.000 0.430 189 D N 0.335 120.726 120.400 -0.015 0.000 2.221 189 D HA -0.105 4.535 4.640 -0.000 0.000 0.204 189 D C 1.585 177.873 176.300 -0.019 0.000 0.982 189 D CA 1.187 55.177 54.000 -0.016 0.000 0.857 189 D CB 0.112 40.907 40.800 -0.009 0.000 0.934 189 D HN 0.232 nan 8.370 nan 0.000 0.475 190 A N 0.244 123.055 122.820 -0.017 0.000 1.874 190 A HA -0.036 4.284 4.320 -0.000 0.000 0.214 190 A C 2.138 179.706 177.584 -0.027 0.000 1.189 190 A CA 1.019 53.046 52.037 -0.016 0.000 0.615 190 A CB -0.396 18.598 19.000 -0.010 0.000 0.830 190 A HN 0.262 nan 8.150 nan 0.000 0.443 191 I N 0.232 120.785 120.570 -0.028 0.000 2.163 191 I HA -0.184 3.986 4.170 -0.000 0.000 0.240 191 I C 2.435 178.506 176.117 -0.076 0.000 1.081 191 I CA 1.229 62.506 61.300 -0.040 0.000 1.353 191 I CB -1.637 36.349 38.000 -0.023 0.000 1.054 191 I HN 0.242 nan 8.210 nan 0.000 0.407 192 I N 1.655 122.182 120.570 -0.073 0.000 2.208 192 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 192 I C 2.784 178.831 176.117 -0.117 0.000 1.097 192 I CA 1.715 62.953 61.300 -0.104 0.000 1.363 192 I CB -0.901 37.051 38.000 -0.081 0.000 1.051 192 I HN 0.281 nan 8.210 nan 0.000 0.413 193 G N 0.496 109.251 108.800 -0.075 0.000 2.442 193 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 193 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 193 G C 1.782 176.647 174.900 -0.058 0.000 1.141 193 G CA 1.169 46.235 45.100 -0.057 0.000 0.763 193 G HN 0.531 nan 8.290 nan 0.000 0.554 194 S N 0.326 115.988 115.700 -0.064 0.000 2.395 194 S HA 0.084 4.554 4.470 -0.000 0.000 0.225 194 S C 2.296 176.842 174.600 -0.090 0.000 1.027 194 S CA 0.619 58.786 58.200 -0.055 0.000 0.965 194 S CB -0.269 62.906 63.200 -0.041 0.000 0.812 194 S HN 0.338 nan 8.310 nan 0.000 0.482 195 I N 1.761 122.229 120.570 -0.169 0.000 2.127 195 I HA -0.182 3.988 4.170 -0.000 0.000 0.241 195 I C 2.473 178.482 176.117 -0.179 0.000 1.075 195 I CA 1.404 62.550 61.300 -0.257 0.000 1.334 195 I CB -0.506 37.250 38.000 -0.408 0.000 1.040 195 I HN 0.278 nan 8.210 nan 0.000 0.405 196 L N 0.368 121.458 121.223 -0.221 0.000 2.046 196 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 196 L C 2.312 179.165 176.870 -0.028 0.000 1.077 196 L CA 1.292 55.942 54.840 -0.316 0.000 0.747 196 L CB -0.806 40.912 42.059 -0.568 0.000 0.896 196 L HN 0.334 nan 8.230 nan 0.000 0.432 197 N N 0.126 118.836 118.700 0.016 0.000 2.223 197 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 197 N C 1.962 177.525 175.510 0.089 0.000 1.016 197 N CA 1.100 54.204 53.050 0.090 0.000 0.863 197 N CB -0.144 38.376 38.487 0.054 0.000 0.983 197 N HN 0.326 nan 8.380 nan 0.000 0.429 198 L N -0.389 120.872 121.223 0.064 0.000 2.005 198 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 198 L C 2.337 179.286 176.870 0.132 0.000 1.072 198 L CA 1.170 56.054 54.840 0.074 0.000 0.744 198 L CB -0.562 41.529 42.059 0.054 0.000 0.895 198 L HN 0.101 nan 8.230 nan 0.000 0.433 199 Y N 0.620 120.935 120.300 0.025 0.000 2.128 199 Y HA -0.322 4.228 4.550 -0.000 0.000 0.284 199 Y C 2.378 178.363 175.900 0.142 0.000 1.154 199 Y CA 1.776 59.919 58.100 0.072 0.000 1.149 199 Y CB -0.397 38.100 38.460 0.061 0.000 0.976 199 Y HN 0.083 nan 8.280 nan 0.000 0.505 200 L N -0.361 121.010 121.223 0.248 0.000 2.079 200 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 200 L C 2.116 179.006 176.870 0.033 0.000 1.081 200 L CA 2.687 57.630 54.840 0.171 0.000 0.752 200 L CB -1.366 40.861 42.059 0.280 0.000 0.896 200 L HN 0.252 nan 8.230 nan 0.000 0.433 201 T N -0.351 114.226 114.554 0.039 0.000 2.708 201 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 201 T C 1.691 176.369 174.700 -0.036 0.000 1.037 201 T CA 1.751 63.854 62.100 0.007 0.000 1.146 201 T CB -0.222 68.656 68.868 0.018 0.000 0.865 201 T HN 0.506 nan 8.240 nan 0.000 0.435 202 E N 0.512 120.678 120.200 -0.057 0.000 2.077 202 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 202 E C 2.091 178.589 176.600 -0.170 0.000 0.989 202 E CA 0.773 57.115 56.400 -0.097 0.000 0.800 202 E CB -0.210 29.442 29.700 -0.079 0.000 0.746 202 E HN 0.216 nan 8.360 nan 0.000 0.452 203 L N 0.615 121.701 121.223 -0.228 0.000 2.131 203 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 203 L C 2.318 179.129 176.870 -0.098 0.000 1.092 203 L CA 1.658 56.371 54.840 -0.211 0.000 0.759 203 L CB -0.684 41.284 42.059 -0.152 0.000 0.903 203 L HN 0.064 nan 8.230 nan 0.000 0.435 204 T N -1.828 112.697 114.554 -0.049 0.000 3.051 204 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 204 T C 1.743 176.418 174.700 -0.042 0.000 1.127 204 T CA 1.399 63.494 62.100 -0.007 0.000 1.107 204 T CB -0.100 68.765 68.868 -0.006 0.000 0.898 204 T HN 0.326 nan 8.240 nan 0.000 0.517 205 T N 0.888 115.385 114.554 -0.095 0.000 3.035 205 T HA 0.267 4.617 4.350 -0.000 0.000 0.259 205 T C 1.708 176.319 174.700 -0.148 0.000 1.078 205 T CA 0.363 62.401 62.100 -0.104 0.000 1.132 205 T CB 0.037 68.845 68.868 -0.100 0.000 0.900 205 T HN 0.354 nan 8.240 nan 0.000 0.480 206 I N -0.762 119.638 120.570 -0.283 0.000 2.927 206 I HA 0.185 4.355 4.170 -0.000 0.000 0.268 206 I C 0.128 175.998 176.117 -0.413 0.000 1.153 206 I CA 0.612 61.639 61.300 -0.454 0.000 1.459 206 I CB 0.212 37.697 38.000 -0.858 0.000 1.149 206 I HN 0.111 nan 8.210 nan 0.000 0.443 207 F N 1.154 121.104 119.950 0.000 0.000 2.640 207 F HA 0.202 4.729 4.527 -0.000 0.000 0.331 207 F C 0.430 176.268 175.800 0.062 0.000 1.200 207 F CA -0.702 57.305 58.000 0.011 0.000 1.278 207 F CB -0.431 38.559 39.000 -0.016 0.000 1.571 207 F HN 0.063 nan 8.300 nan 0.000 0.576 208 H N 1.076 120.204 119.070 0.096 0.000 2.487 208 H HA 0.259 4.815 4.556 -0.000 0.000 0.333 208 H C -0.416 174.947 175.328 0.057 0.000 1.114 208 H CA -1.162 54.921 56.048 0.058 0.000 1.310 208 H CB 0.920 30.693 29.762 0.019 0.000 1.462 208 H HN 0.187 nan 8.280 nan 0.000 0.516 209 N N 3.725 122.160 118.700 -0.442 0.000 2.469 209 N HA 0.083 4.823 4.740 -0.000 0.000 0.239 209 N C 0.215 175.374 175.510 -0.584 0.000 1.053 209 N CA 0.209 53.035 53.050 -0.373 0.000 0.937 209 N CB 0.562 38.947 38.487 -0.170 0.000 1.163 209 N HN 0.796 nan 8.380 nan 0.000 0.509 210 Q N 3.297 122.867 119.800 -0.384 0.000 2.534 210 Q HA 0.371 4.711 4.340 -0.000 0.000 0.252 210 Q C 0.270 176.201 176.000 -0.114 0.000 0.850 210 Q CA -0.043 55.610 55.803 -0.249 0.000 0.974 210 Q CB 0.395 29.033 28.738 -0.167 0.000 1.205 210 Q HN 0.562 nan 8.270 nan 0.000 0.593 211 I N 0.302 120.821 120.570 -0.086 0.000 3.378 211 I HA -0.000 4.170 4.170 -0.000 0.000 0.284 211 I C 1.037 177.126 176.117 -0.047 0.000 1.157 211 I CA 0.130 61.400 61.300 -0.050 0.000 1.193 211 I CB 0.753 38.732 38.000 -0.034 0.000 1.461 211 I HN 0.109 nan 8.210 nan 0.000 0.674 212 T N 0.360 114.895 114.554 -0.033 0.000 3.010 212 T HA 0.062 4.412 4.350 -0.000 0.000 0.252 212 T C 0.693 175.377 174.700 -0.026 0.000 1.047 212 T CA 0.740 62.823 62.100 -0.028 0.000 1.140 212 T CB -0.018 68.838 68.868 -0.021 0.000 0.885 212 T HN 0.423 nan 8.240 nan 0.000 0.464 213 N N 1.592 120.279 118.700 -0.023 0.000 2.914 213 N HA 0.240 4.980 4.740 -0.000 0.000 0.304 213 N C -2.347 173.153 175.510 -0.017 0.000 1.727 213 N CA -1.271 51.767 53.050 -0.020 0.000 0.986 213 N CB 1.372 39.849 38.487 -0.017 0.000 1.297 213 N HN 0.162 nan 8.380 nan 0.000 0.490 214 P HA -0.223 nan 4.420 nan 0.000 0.218 214 P C 1.337 178.640 177.300 0.005 0.000 1.154 214 P CA 1.535 64.631 63.100 -0.007 0.000 0.872 214 P CB 0.399 32.089 31.700 -0.016 0.000 0.790 215 A N -1.154 121.662 122.820 -0.008 0.000 2.024 215 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 215 A C 2.122 179.706 177.584 -0.000 0.000 1.164 215 A CA 1.436 53.470 52.037 -0.006 0.000 0.643 215 A CB -1.559 17.431 19.000 -0.018 0.000 0.806 215 A HN 0.175 nan 8.150 nan 0.000 0.451 216 L N -0.298 120.922 121.223 -0.005 0.000 2.313 216 L HA 0.011 4.351 4.340 -0.000 0.000 0.214 216 L C 0.800 177.667 176.870 -0.004 0.000 1.119 216 L CA -0.152 54.683 54.840 -0.008 0.000 0.809 216 L CB -0.315 41.737 42.059 -0.013 0.000 0.933 216 L HN 0.134 nan 8.230 nan 0.000 0.449 217 S N 0.813 116.515 115.700 0.004 0.000 2.546 217 S HA 0.105 4.575 4.470 -0.000 0.000 0.290 217 S C -1.987 172.617 174.600 0.008 0.000 1.290 217 S CA -0.885 57.318 58.200 0.006 0.000 1.069 217 S CB 0.306 63.516 63.200 0.018 0.000 0.846 217 S HN 0.019 nan 8.310 nan 0.000 0.495 218 P HA 0.285 nan 4.420 nan 0.000 0.274 218 P C -0.778 176.518 177.300 -0.007 0.000 1.237 218 P CA -0.502 62.590 63.100 -0.014 0.000 0.793 218 P CB 0.363 32.044 31.700 -0.032 0.000 0.977 219 I N 1.238 121.803 120.570 -0.008 0.000 2.339 219 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 219 I C 0.701 176.804 176.117 -0.023 0.000 0.994 219 I CA -0.267 61.029 61.300 -0.007 0.000 1.191 219 I CB 0.597 38.607 38.000 0.017 0.000 1.343 219 I HN 0.277 nan 8.210 nan 0.000 0.458 220 T N 5.523 120.057 114.554 -0.033 0.000 2.849 220 T HA 0.492 4.842 4.350 -0.000 0.000 0.276 220 T C 1.895 176.578 174.700 -0.028 0.000 0.971 220 T CA -0.600 61.478 62.100 -0.036 0.000 0.949 220 T CB 1.457 70.300 68.868 -0.041 0.000 1.093 220 T HN 0.409 nan 8.240 nan 0.000 0.545 221 I N -0.189 120.365 120.570 -0.026 0.000 2.676 221 I HA -0.139 4.031 4.170 -0.000 0.000 0.259 221 I C 2.331 178.438 176.117 -0.016 0.000 1.194 221 I CA 0.915 62.205 61.300 -0.015 0.000 1.473 221 I CB -0.636 37.355 38.000 -0.015 0.000 1.096 221 I HN 0.485 nan 8.210 nan 0.000 0.443 222 Q N 1.713 121.497 119.800 -0.027 0.000 2.016 222 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 222 Q C 2.594 178.566 176.000 -0.046 0.000 0.978 222 Q CA 2.123 57.907 55.803 -0.033 0.000 0.833 222 Q CB -0.583 28.131 28.738 -0.039 0.000 0.895 222 Q HN 0.533 nan 8.270 nan 0.000 0.427 223 A N 0.186 122.968 122.820 -0.064 0.000 1.908 223 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 223 A C 2.023 179.572 177.584 -0.058 0.000 1.181 223 A CA 1.267 53.244 52.037 -0.101 0.000 0.627 223 A CB -0.753 18.177 19.000 -0.116 0.000 0.818 223 A HN 0.320 nan 8.150 nan 0.000 0.445 224 L N -0.330 120.882 121.223 -0.019 0.000 2.012 224 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 224 L C 2.605 179.495 176.870 0.033 0.000 1.073 224 L CA 2.027 56.878 54.840 0.018 0.000 0.748 224 L CB -0.650 41.423 42.059 0.023 0.000 0.891 224 L HN 0.360 nan 8.230 nan 0.000 0.431 225 R N -0.896 119.616 120.500 0.020 0.000 2.091 225 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 225 R C 2.281 178.611 176.300 0.051 0.000 1.136 225 R CA 1.747 57.867 56.100 0.033 0.000 0.959 225 R CB -0.441 29.870 30.300 0.018 0.000 0.856 225 R HN 0.344 nan 8.270 nan 0.000 0.437 226 I N 0.182 120.763 120.570 0.019 0.000 2.226 226 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 226 I C 2.098 178.267 176.117 0.087 0.000 1.100 226 I CA 0.826 62.136 61.300 0.017 0.000 1.374 226 I CB -0.184 37.768 38.000 -0.080 0.000 1.057 226 I HN 0.154 nan 8.210 nan 0.000 0.413 227 L N 0.406 121.673 121.223 0.072 0.000 2.027 227 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 227 L C 2.064 179.096 176.870 0.270 0.000 1.074 227 L CA 1.918 56.860 54.840 0.169 0.000 0.745 227 L CB -0.410 41.721 42.059 0.121 0.000 0.898 227 L HN 0.155 nan 8.230 nan 0.000 0.433 228 L N -2.073 119.254 121.223 0.173 0.000 2.554 228 L HA 0.304 4.644 4.340 -0.000 0.000 0.225 228 L C 1.672 178.612 176.870 0.117 0.000 1.104 228 L CA 0.363 55.286 54.840 0.139 0.000 0.866 228 L CB -0.929 41.189 42.059 0.099 0.000 1.047 228 L HN 0.415 nan 8.230 nan 0.000 0.468 229 G N 1.901 110.784 108.800 0.137 0.000 2.672 229 G HA2 -0.474 3.486 3.960 -0.000 0.000 0.324 229 G HA3 -0.474 3.486 3.960 -0.000 0.000 0.324 229 G C 1.064 176.004 174.900 0.066 0.000 1.286 229 G CA 1.132 46.297 45.100 0.108 0.000 1.004 229 G HN 0.454 nan 8.290 nan 0.000 0.548 230 S N -0.902 114.827 115.700 0.048 0.000 2.547 230 S HA 0.056 4.526 4.470 -0.000 0.000 0.235 230 S C 2.029 176.647 174.600 0.029 0.000 0.980 230 S CA 2.164 60.383 58.200 0.031 0.000 0.941 230 S CB -0.226 62.985 63.200 0.018 0.000 0.763 230 S HN 0.816 nan 8.310 nan 0.000 0.532 231 T N 2.522 117.097 114.554 0.036 0.000 2.809 231 T HA 0.091 4.441 4.350 -0.000 0.000 0.260 231 T C 1.566 176.293 174.700 0.044 0.000 1.039 231 T CA 0.957 63.079 62.100 0.037 0.000 1.141 231 T CB -0.604 68.289 68.868 0.042 0.000 0.869 231 T HN 0.300 nan 8.240 nan 0.000 0.437 232 L N 2.155 123.410 121.223 0.053 0.000 2.077 232 L HA -0.204 4.136 4.340 -0.000 0.000 0.231 232 L C -0.982 175.922 176.870 0.056 0.000 1.100 232 L CA 2.448 57.322 54.840 0.058 0.000 0.819 232 L CB -1.496 40.595 42.059 0.054 0.000 0.913 232 L HN 0.198 nan 8.230 nan 0.000 0.446 233 P HA -0.123 nan 4.420 nan 0.000 0.216 233 P C 1.665 178.994 177.300 0.048 0.000 1.150 233 P CA 1.973 65.099 63.100 0.043 0.000 0.837 233 P CB -0.121 31.598 31.700 0.031 0.000 0.786 234 T N -1.025 113.554 114.554 0.041 0.000 2.732 234 T HA -0.079 4.271 4.350 -0.000 0.000 0.261 234 T C 1.842 176.569 174.700 0.044 0.000 1.040 234 T CA 1.046 63.169 62.100 0.037 0.000 1.145 234 T CB -0.979 67.906 68.868 0.028 0.000 0.866 234 T HN -0.162 nan 8.240 nan 0.000 0.427 235 V N 1.276 121.220 119.914 0.049 0.000 2.252 235 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 235 V C 2.631 178.770 176.094 0.076 0.000 1.056 235 V CA 1.569 63.898 62.300 0.049 0.000 1.022 235 V CB -0.719 31.139 31.823 0.059 0.000 0.641 235 V HN 0.283 nan 8.190 nan 0.000 0.445 236 V N -0.467 119.521 119.914 0.123 0.000 2.231 236 V HA -0.379 3.741 4.120 -0.000 0.000 0.250 236 V C 2.466 178.692 176.094 0.220 0.000 1.058 236 V CA 2.665 65.095 62.300 0.217 0.000 1.022 236 V CB -0.575 31.339 31.823 0.152 0.000 0.640 236 V HN 0.646 nan 8.190 nan 0.000 0.445 237 E N -0.695 119.581 120.200 0.127 0.000 2.153 237 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 237 E C 2.299 178.946 176.600 0.078 0.000 0.988 237 E CA 1.456 57.917 56.400 0.102 0.000 0.811 237 E CB -0.051 29.687 29.700 0.064 0.000 0.746 237 E HN 0.561 nan 8.360 nan 0.000 0.466 238 K N 0.122 120.550 120.400 0.046 0.000 2.076 238 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 238 K C 1.721 178.286 176.600 -0.058 0.000 1.051 238 K CA 1.426 57.714 56.287 0.003 0.000 0.949 238 K CB 0.080 32.579 32.500 -0.003 0.000 0.726 238 K HN 0.053 nan 8.250 nan 0.000 0.443 239 S N -0.409 115.205 115.700 -0.142 0.000 2.634 239 S HA 0.218 4.688 4.470 -0.000 0.000 0.221 239 S C -0.191 173.934 174.600 -0.793 0.000 0.952 239 S CA -0.712 57.239 58.200 -0.416 0.000 0.930 239 S CB -0.307 62.588 63.200 -0.508 0.000 0.780 239 S HN 0.144 nan 8.310 nan 0.000 0.498 240 F N 2.126 122.088 119.950 0.020 0.000 2.588 240 F HA 0.405 4.932 4.527 -0.000 0.000 0.314 240 F C 0.021 175.831 175.800 0.017 0.000 1.134 240 F CA -1.080 56.931 58.000 0.018 0.000 0.961 240 F CB 1.671 40.680 39.000 0.015 0.000 1.239 240 F HN 0.058 nan 8.300 nan 0.000 0.448 241 N N -0.690 118.125 118.700 0.191 0.000 2.282 241 N HA 0.065 4.805 4.740 -0.000 0.000 0.240 241 N C 0.005 175.575 175.510 0.100 0.000 1.182 241 N CA -0.213 52.904 53.050 0.112 0.000 0.874 241 N CB -0.467 38.062 38.487 0.069 0.000 1.126 241 N HN 0.571 nan 8.380 nan 0.000 0.516 242 T N -2.591 112.036 114.554 0.122 0.000 2.701 242 T HA 0.048 4.398 4.350 -0.000 0.000 0.303 242 T C 0.979 175.706 174.700 0.045 0.000 1.030 242 T CA -0.139 62.005 62.100 0.072 0.000 1.010 242 T CB 0.879 69.778 68.868 0.051 0.000 1.007 242 T HN 0.113 nan 8.240 nan 0.000 0.532 243 Q N -0.517 119.299 119.800 0.026 0.000 2.472 243 Q HA 0.213 4.553 4.340 -0.000 0.000 0.208 243 Q C 0.212 176.218 176.000 0.009 0.000 0.958 243 Q CA 0.238 56.051 55.803 0.016 0.000 0.932 243 Q CB -0.201 28.541 28.738 0.008 0.000 1.007 243 Q HN 0.622 nan 8.270 nan 0.000 0.508 244 I N 1.860 122.433 120.570 0.004 0.000 2.496 244 I HA -0.000 4.170 4.170 -0.000 0.000 0.285 244 I C 0.580 176.700 176.117 0.004 0.000 1.080 244 I CA -0.404 60.892 61.300 -0.007 0.000 1.404 244 I CB 1.019 39.001 38.000 -0.030 0.000 1.403 244 I HN 0.048 nan 8.210 nan 0.000 0.539 245 S N 4.697 120.399 115.700 0.004 0.000 2.592 245 S HA 0.313 4.783 4.470 -0.000 0.000 0.271 245 S C 1.185 175.793 174.600 0.013 0.000 1.326 245 S CA -0.308 57.899 58.200 0.012 0.000 1.024 245 S CB 1.694 64.900 63.200 0.009 0.000 0.921 245 S HN 0.752 nan 8.310 nan 0.000 0.527 246 A N 2.508 125.344 122.820 0.026 0.000 1.948 246 A HA 0.005 4.325 4.320 -0.000 0.000 0.220 246 A C 2.382 179.976 177.584 0.017 0.000 1.177 246 A CA 2.026 54.082 52.037 0.031 0.000 0.636 246 A CB -1.675 17.349 19.000 0.040 0.000 0.815 246 A HN 1.359 nan 8.150 nan 0.000 0.449 247 A N -0.058 122.769 122.820 0.012 0.000 1.865 247 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 247 A C 1.933 179.518 177.584 0.001 0.000 1.191 247 A CA 1.807 53.848 52.037 0.007 0.000 0.623 247 A CB -0.647 18.357 19.000 0.006 0.000 0.826 247 A HN 0.666 nan 8.150 nan 0.000 0.444 248 E N -0.153 120.045 120.200 -0.004 0.000 2.072 248 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 248 E C 1.956 178.544 176.600 -0.020 0.000 0.985 248 E CA 1.146 57.540 56.400 -0.011 0.000 0.801 248 E CB -0.352 29.339 29.700 -0.014 0.000 0.750 248 E HN 0.628 nan 8.360 nan 0.000 0.452 249 L N 0.626 121.832 121.223 -0.028 0.000 2.131 249 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 249 L C 2.330 179.181 176.870 -0.032 0.000 1.092 249 L CA 0.880 55.689 54.840 -0.053 0.000 0.759 249 L CB -0.294 41.721 42.059 -0.073 0.000 0.903 249 L HN 0.157 nan 8.230 nan 0.000 0.435 250 L N -1.147 120.070 121.223 -0.010 0.000 2.202 250 L HA -0.064 4.276 4.340 -0.000 0.000 0.205 250 L C 2.783 179.651 176.870 -0.003 0.000 1.083 250 L CA 1.058 55.897 54.840 -0.001 0.000 0.790 250 L CB -0.343 41.722 42.059 0.011 0.000 0.942 250 L HN 0.317 nan 8.230 nan 0.000 0.452 251 S N -0.836 114.861 115.700 -0.005 0.000 2.406 251 S HA -0.030 4.440 4.470 -0.000 0.000 0.224 251 S C 1.413 176.009 174.600 -0.006 0.000 1.030 251 S CA 0.322 58.519 58.200 -0.004 0.000 0.958 251 S CB -0.370 62.829 63.200 -0.003 0.000 0.811 251 S HN 0.439 nan 8.310 nan 0.000 0.489 252 S N 0.693 116.388 115.700 -0.009 0.000 2.598 252 S HA 0.636 5.106 4.470 -0.000 0.000 0.267 252 S C 0.973 175.566 174.600 -0.011 0.000 1.189 252 S CA -0.143 58.053 58.200 -0.006 0.000 1.010 252 S CB 0.296 63.494 63.200 -0.003 0.000 1.084 252 S HN 0.583 nan 8.310 nan 0.000 0.541 253 G N -0.876 107.920 108.800 -0.007 0.000 3.993 253 G HA2 0.385 4.345 3.960 -0.000 0.000 0.294 253 G HA3 0.385 4.345 3.960 -0.000 0.000 0.294 253 G C 0.510 175.392 174.900 -0.029 0.000 1.043 253 G CA -0.304 44.784 45.100 -0.019 0.000 0.839 253 G HN 0.418 nan 8.290 nan 0.000 0.516 254 L N 0.523 121.732 121.223 -0.022 0.000 2.083 254 L HA 0.210 4.550 4.340 -0.000 0.000 0.209 254 L C 1.620 178.439 176.870 -0.085 0.000 1.083 254 L CA 0.987 55.811 54.840 -0.026 0.000 0.752 254 L CB -0.505 41.545 42.059 -0.016 0.000 0.899 254 L HN 0.198 nan 8.230 nan 0.000 0.433 255 L N -0.143 121.023 121.223 -0.094 0.000 2.380 255 L HA 0.290 4.630 4.340 -0.000 0.000 0.273 255 L C 0.034 176.862 176.870 -0.071 0.000 1.138 255 L CA -0.048 54.731 54.840 -0.102 0.000 0.832 255 L CB 0.495 42.506 42.059 -0.081 0.000 1.124 255 L HN 0.211 nan 8.230 nan 0.000 0.454 256 T N -0.082 114.434 114.554 -0.064 0.000 2.821 256 T HA 0.784 5.134 4.350 -0.000 0.000 0.306 256 T C -0.331 174.349 174.700 -0.035 0.000 1.313 256 T CA -0.753 61.314 62.100 -0.054 0.000 1.012 256 T CB 2.186 71.005 68.868 -0.080 0.000 1.298 256 T HN 0.807 nan 8.240 nan 0.000 0.502 257 G N 0.131 108.913 108.800 -0.031 0.000 2.660 257 G HA2 0.691 4.651 3.960 -0.000 0.000 0.290 257 G HA3 0.691 4.651 3.960 -0.000 0.000 0.290 257 G C -2.138 172.747 174.900 -0.026 0.000 1.432 257 G CA -1.021 44.061 45.100 -0.031 0.000 0.807 257 G HN 0.986 nan 8.290 nan 0.000 0.485 258 Q N -0.785 118.994 119.800 -0.034 0.000 2.416 258 Q HA 0.657 4.997 4.340 -0.000 0.000 0.281 258 Q C -1.218 174.783 176.000 0.001 0.000 1.067 258 Q CA -1.033 54.762 55.803 -0.014 0.000 0.809 258 Q CB 2.379 31.101 28.738 -0.026 0.000 1.418 258 Q HN 0.468 nan 8.270 nan 0.000 0.411 259 I N 3.436 124.020 120.570 0.024 0.000 2.421 259 I HA 0.023 4.193 4.170 -0.000 0.000 0.291 259 I C 1.126 177.258 176.117 0.024 0.000 1.089 259 I CA -0.320 61.001 61.300 0.034 0.000 1.354 259 I CB 0.852 38.872 38.000 0.034 0.000 1.413 259 I HN 0.738 nan 8.210 nan 0.000 0.513 260 V N 3.871 123.812 119.914 0.046 0.000 2.484 260 V HA 0.423 4.543 4.120 -0.000 0.000 0.236 260 V C 0.921 177.044 176.094 0.049 0.000 1.062 260 V CA 0.593 62.931 62.300 0.063 0.000 1.081 260 V CB -0.533 31.381 31.823 0.152 0.000 0.751 260 V HN 0.643 nan 8.190 nan 0.000 0.484 261 G N 0.631 109.468 108.800 0.063 0.000 2.448 261 G HA2 0.675 4.635 3.960 -0.000 0.000 0.324 261 G HA3 0.675 4.635 3.960 -0.000 0.000 0.324 261 G C -1.816 173.094 174.900 0.017 0.000 1.203 261 G CA -0.470 44.647 45.100 0.030 0.000 0.954 261 G HN 0.510 nan 8.290 nan 0.000 0.480 262 L N 0.989 122.209 121.223 -0.005 0.000 2.472 262 L HA 0.672 5.012 4.340 -0.000 0.000 0.260 262 L C -1.841 175.021 176.870 -0.014 0.000 0.963 262 L CA -0.728 54.104 54.840 -0.014 0.000 0.829 262 L CB 2.684 44.718 42.059 -0.041 0.000 1.348 262 L HN 0.474 nan 8.230 nan 0.000 0.408 263 D N 4.536 124.937 120.400 0.001 0.000 2.473 263 D HA 0.262 4.902 4.640 -0.000 0.000 0.253 263 D C 0.794 177.119 176.300 0.042 0.000 1.233 263 D CA -0.292 53.719 54.000 0.018 0.000 0.908 263 D CB 1.342 42.154 40.800 0.019 0.000 1.170 263 D HN 0.686 nan 8.370 nan 0.000 0.558 264 L N 1.971 123.204 121.223 0.017 0.000 2.191 264 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 264 L C 2.138 179.029 176.870 0.034 0.000 1.103 264 L CA 1.003 55.846 54.840 0.005 0.000 0.769 264 L CB -0.223 41.825 42.059 -0.018 0.000 0.908 264 L HN 0.374 nan 8.230 nan 0.000 0.438 265 T N -1.650 112.956 114.554 0.087 0.000 2.812 265 T HA -0.136 4.214 4.350 -0.000 0.000 0.264 265 T C 1.478 176.246 174.700 0.114 0.000 1.042 265 T CA 1.184 63.349 62.100 0.108 0.000 1.140 265 T CB -0.138 68.835 68.868 0.174 0.000 0.870 265 T HN 0.201 nan 8.240 nan 0.000 0.445 266 Y N 0.414 120.713 120.300 -0.002 0.000 2.482 266 Y HA 0.409 4.959 4.550 -0.000 0.000 0.270 266 Y C 0.950 176.860 175.900 0.016 0.000 1.152 266 Y CA -0.450 57.655 58.100 0.008 0.000 1.292 266 Y CB -0.400 38.065 38.460 0.008 0.000 1.070 266 Y HN 0.087 nan 8.280 nan 0.000 0.528 267 M N 1.083 120.760 119.600 0.128 0.000 2.298 267 M HA -0.317 4.163 4.480 -0.000 0.000 0.196 267 M C -1.015 175.345 176.300 0.100 0.000 0.531 267 M CA 0.918 56.261 55.300 0.072 0.000 0.459 267 M CB -1.494 31.134 32.600 0.047 0.000 1.279 267 M HN 0.260 nan 8.290 nan 0.000 0.915 268 Q N 0.411 120.274 119.800 0.104 0.000 2.340 268 Q HA 0.768 5.108 4.340 -0.000 0.000 0.268 268 Q C -0.684 175.352 176.000 0.060 0.000 1.031 268 Q CA -0.502 55.358 55.803 0.095 0.000 0.804 268 Q CB 2.909 31.709 28.738 0.104 0.000 1.286 268 Q HN 0.468 nan 8.270 nan 0.000 0.448 269 M N 2.707 122.347 119.600 0.067 0.000 2.190 269 M HA 0.387 4.867 4.480 -0.000 0.000 0.312 269 M C -1.320 175.026 176.300 0.076 0.000 0.990 269 M CA -0.859 54.472 55.300 0.052 0.000 0.927 269 M CB 1.634 34.264 32.600 0.051 0.000 1.571 269 M HN 0.375 nan 8.290 nan 0.000 0.427 270 V N 6.330 126.290 119.914 0.076 0.000 2.432 270 V HA 0.459 4.579 4.120 -0.000 0.000 0.275 270 V C -0.086 176.079 176.094 0.119 0.000 1.043 270 V CA -0.286 62.085 62.300 0.118 0.000 0.925 270 V CB 1.007 32.912 31.823 0.137 0.000 0.985 270 V HN 0.728 nan 8.190 nan 0.000 0.466 271 I N 4.209 124.847 120.570 0.113 0.000 2.569 271 I HA 0.486 4.656 4.170 -0.000 0.000 0.296 271 I C -0.165 175.910 176.117 -0.069 0.000 1.028 271 I CA -0.790 60.536 61.300 0.044 0.000 1.082 271 I CB 2.317 40.348 38.000 0.053 0.000 1.264 271 I HN 0.504 nan 8.210 nan 0.000 0.429 272 K N 6.442 126.728 120.400 -0.190 0.000 2.334 272 K HA 0.436 4.756 4.320 -0.000 0.000 0.265 272 K C -0.922 175.549 176.600 -0.216 0.000 1.039 272 K CA -0.618 55.400 56.287 -0.449 0.000 0.920 272 K CB 0.671 32.829 32.500 -0.570 0.000 1.160 272 K HN 0.398 nan 8.250 nan 0.000 0.451 273 I N 3.386 123.877 120.570 -0.132 0.000 2.441 273 I HA 0.166 4.336 4.170 -0.000 0.000 0.287 273 I C 0.139 176.325 176.117 0.115 0.000 1.049 273 I CA 0.012 61.339 61.300 0.045 0.000 1.381 273 I CB 1.219 39.331 38.000 0.187 0.000 1.409 273 I HN 0.724 nan 8.210 nan 0.000 0.523 274 E N 5.686 125.930 120.200 0.074 0.000 2.218 274 E HA 0.393 4.743 4.350 -0.000 0.000 0.263 274 E C -1.632 174.945 176.600 -0.039 0.000 0.879 274 E CA -0.792 55.642 56.400 0.057 0.000 0.762 274 E CB 1.899 31.590 29.700 -0.017 0.000 1.166 274 E HN 0.389 nan 8.360 nan 0.000 0.415 275 L N 6.503 127.677 121.223 -0.081 0.000 2.280 275 L HA 0.557 4.896 4.340 -0.000 0.000 0.287 275 L C -2.701 174.131 176.870 -0.063 0.000 1.023 275 L CA -2.019 52.662 54.840 -0.266 0.000 0.819 275 L CB 1.161 42.781 42.059 -0.731 0.000 1.212 275 L HN 0.398 nan 8.230 nan 0.000 0.420 276 P HA 0.242 nan 4.420 nan 0.000 0.275 276 P C -1.121 176.246 177.300 0.112 0.000 1.228 276 P CA -0.156 63.038 63.100 0.155 0.000 0.786 276 P CB 0.662 32.616 31.700 0.423 0.000 0.927 277 T N 3.740 118.353 114.554 0.099 0.000 2.753 277 T HA 0.368 4.718 4.350 -0.000 0.000 0.297 277 T C 0.095 174.775 174.700 -0.033 0.000 0.981 277 T CA -0.443 61.673 62.100 0.028 0.000 0.956 277 T CB -0.099 68.788 68.868 0.032 0.000 0.936 277 T HN 0.144 nan 8.240 nan 0.000 0.463 278 L N 3.523 124.685 121.223 -0.102 0.000 2.349 278 L HA 0.464 4.804 4.340 -0.000 0.000 0.275 278 L C 0.390 177.179 176.870 -0.135 0.000 1.115 278 L CA -0.400 54.317 54.840 -0.206 0.000 0.820 278 L CB 0.695 42.609 42.059 -0.242 0.000 1.135 278 L HN 0.567 nan 8.230 nan 0.000 0.445 279 T N 1.982 116.447 114.554 -0.148 0.000 2.906 279 T HA 0.259 4.609 4.350 -0.000 0.000 0.302 279 T C -0.064 174.580 174.700 -0.093 0.000 1.002 279 T CA -0.432 61.613 62.100 -0.092 0.000 0.988 279 T CB 1.676 70.510 68.868 -0.057 0.000 0.972 279 T HN 0.180 nan 8.240 nan 0.000 0.447 280 V N 4.122 123.989 119.914 -0.079 0.000 2.694 280 V HA 0.018 4.138 4.120 -0.000 0.000 0.306 280 V C 0.768 176.826 176.094 -0.060 0.000 1.054 280 V CA 0.243 62.499 62.300 -0.072 0.000 1.161 280 V CB 0.506 32.292 31.823 -0.060 0.000 0.916 280 V HN 0.794 nan 8.190 nan 0.000 0.490 281 Q N 6.212 125.974 119.800 -0.063 0.000 2.389 281 Q HA 0.178 4.519 4.340 -0.000 0.000 0.244 281 Q C -1.408 174.560 176.000 -0.052 0.000 1.056 281 Q CA -1.595 54.175 55.803 -0.054 0.000 0.908 281 Q CB 1.026 29.726 28.738 -0.062 0.000 1.273 281 Q HN 0.548 nan 8.270 nan 0.000 0.471 282 P HA -0.357 nan 4.420 nan 0.000 0.232 282 P C 0.493 177.769 177.300 -0.039 0.000 1.135 282 P CA 2.404 65.482 63.100 -0.037 0.000 0.969 282 P CB 0.319 32.002 31.700 -0.029 0.000 0.777 283 A N -3.604 119.190 122.820 -0.042 0.000 2.167 283 A HA 0.162 4.482 4.320 -0.000 0.000 0.208 283 A C 0.988 178.539 177.584 -0.055 0.000 1.198 283 A CA 0.355 52.366 52.037 -0.043 0.000 0.863 283 A CB -0.759 18.219 19.000 -0.037 0.000 0.904 283 A HN 0.145 nan 8.150 nan 0.000 0.484 284 T N 1.505 116.017 114.554 -0.070 0.000 2.937 284 T HA 0.312 4.662 4.350 -0.000 0.000 0.316 284 T C -0.203 174.438 174.700 -0.098 0.000 1.079 284 T CA 0.606 62.648 62.100 -0.096 0.000 1.131 284 T CB 0.502 69.291 68.868 -0.131 0.000 1.000 284 T HN 0.465 nan 8.240 nan 0.000 0.549 285 Q N 1.277 121.013 119.800 -0.106 0.000 2.315 285 Q HA 0.495 4.835 4.340 -0.000 0.000 0.273 285 Q C -1.092 174.842 176.000 -0.110 0.000 1.053 285 Q CA -0.587 55.162 55.803 -0.091 0.000 0.817 285 Q CB 2.362 31.063 28.738 -0.061 0.000 1.326 285 Q HN 0.581 nan 8.270 nan 0.000 0.423 286 I N 4.111 124.623 120.570 -0.096 0.000 2.354 286 I HA 0.396 4.566 4.170 -0.000 0.000 0.286 286 I C -0.531 175.571 176.117 -0.025 0.000 1.007 286 I CA -0.438 60.814 61.300 -0.080 0.000 1.167 286 I CB 0.942 38.895 38.000 -0.079 0.000 1.320 286 I HN 0.404 nan 8.210 nan 0.000 0.458 287 I N 5.151 125.713 120.570 -0.013 0.000 2.412 287 I HA 0.305 4.475 4.170 -0.000 0.000 0.296 287 I C -0.683 175.443 176.117 0.015 0.000 0.987 287 I CA -0.735 60.566 61.300 0.001 0.000 1.180 287 I CB 1.536 39.534 38.000 -0.003 0.000 1.340 287 I HN 0.394 nan 8.210 nan 0.000 0.455 288 D N 6.849 127.259 120.400 0.017 0.000 2.232 288 D HA 0.516 5.156 4.640 -0.000 0.000 0.242 288 D C -0.524 175.783 176.300 0.011 0.000 1.093 288 D CA -0.079 53.931 54.000 0.017 0.000 0.845 288 D CB 1.703 42.512 40.800 0.016 0.000 1.124 288 D HN 0.253 nan 8.370 nan 0.000 0.467 289 L N 1.688 122.913 121.223 0.003 0.000 2.313 289 L HA 0.716 5.056 4.340 -0.000 0.000 0.283 289 L C 0.082 176.944 176.870 -0.013 0.000 1.013 289 L CA -0.856 53.979 54.840 -0.009 0.000 0.816 289 L CB 1.616 43.665 42.059 -0.016 0.000 1.236 289 L HN 0.330 nan 8.230 nan 0.000 0.419 290 A N 1.856 124.665 122.820 -0.018 0.000 2.356 290 A HA 0.899 5.219 4.320 -0.000 0.000 0.323 290 A C -0.287 177.281 177.584 -0.027 0.000 1.119 290 A CA -0.491 51.532 52.037 -0.022 0.000 0.790 290 A CB 1.688 20.675 19.000 -0.023 0.000 1.273 290 A HN 0.647 nan 8.150 nan 0.000 0.452 291 T N -0.424 114.119 114.554 -0.019 0.000 2.886 291 T HA 0.665 5.015 4.350 -0.000 0.000 0.292 291 T C -0.198 174.504 174.700 0.003 0.000 1.012 291 T CA -0.437 61.660 62.100 -0.004 0.000 0.982 291 T CB 0.613 69.487 68.868 0.010 0.000 1.018 291 T HN 1.010 nan 8.240 nan 0.000 0.451 292 I N 0.231 120.812 120.570 0.019 0.000 2.793 292 I HA 0.744 4.914 4.170 -0.000 0.000 0.313 292 I C 0.425 176.582 176.117 0.067 0.000 0.998 292 I CA -1.141 60.175 61.300 0.027 0.000 1.140 292 I CB 1.689 39.712 38.000 0.039 0.000 1.327 292 I HN 0.786 nan 8.210 nan 0.000 0.491 293 S N 2.259 118.004 115.700 0.075 0.000 2.592 293 S HA 0.739 5.209 4.470 -0.000 0.000 0.271 293 S C -0.088 174.584 174.600 0.120 0.000 1.326 293 S CA -0.416 57.845 58.200 0.102 0.000 1.024 293 S CB 1.255 64.516 63.200 0.103 0.000 0.921 293 S HN 1.049 nan 8.310 nan 0.000 0.527 294 A N 1.321 124.214 122.820 0.122 0.000 2.387 294 A HA 0.813 5.133 4.320 -0.000 0.000 0.298 294 A C -1.294 176.375 177.584 0.141 0.000 1.165 294 A CA -0.808 51.296 52.037 0.110 0.000 0.814 294 A CB 0.926 19.956 19.000 0.051 0.000 1.357 294 A HN 0.881 nan 8.150 nan 0.000 0.443 295 F N 1.106 121.024 119.950 -0.052 0.000 2.434 295 F HA 0.631 5.158 4.527 -0.000 0.000 0.367 295 F C -0.780 174.957 175.800 -0.105 0.000 1.093 295 F CA -0.598 57.367 58.000 -0.059 0.000 1.085 295 F CB 0.646 39.626 39.000 -0.033 0.000 1.322 295 F HN 0.352 nan 8.300 nan 0.000 0.452 296 I N 4.547 124.896 120.570 -0.368 0.000 2.569 296 I HA 0.250 4.420 4.170 -0.000 0.000 0.296 296 I C -0.143 175.743 176.117 -0.386 0.000 1.028 296 I CA -1.187 59.901 61.300 -0.354 0.000 1.082 296 I CB 1.646 39.353 38.000 -0.488 0.000 1.264 296 I HN 0.397 nan 8.210 nan 0.000 0.429 297 N N 4.168 122.712 118.700 -0.260 0.000 2.698 297 N HA -0.273 4.467 4.740 -0.000 0.000 0.258 297 N C 0.207 175.555 175.510 -0.269 0.000 0.978 297 N CA 1.084 54.012 53.050 -0.204 0.000 0.777 297 N CB -1.206 37.189 38.487 -0.153 0.000 0.907 297 N HN 0.815 nan 8.380 nan 0.000 0.543 298 N N -1.338 117.136 118.700 -0.377 0.000 2.741 298 N HA -0.249 4.491 4.740 -0.000 0.000 0.250 298 N C -0.902 174.183 175.510 -0.709 0.000 1.115 298 N CA 1.819 54.602 53.050 -0.445 0.000 0.724 298 N CB -0.547 37.868 38.487 -0.121 0.000 1.090 298 N HN 0.853 nan 8.380 nan 0.000 0.558 299 Q N -1.738 117.434 119.800 -1.046 0.000 2.391 299 Q HA 0.370 4.710 4.340 -0.000 0.000 0.279 299 Q C -1.141 174.497 176.000 -0.604 0.000 1.028 299 Q CA -0.988 54.413 55.803 -0.670 0.000 0.836 299 Q CB 1.352 29.921 28.738 -0.282 0.000 1.414 299 Q HN 0.254 nan 8.270 nan 0.000 0.397 300 E N 1.463 121.570 120.200 -0.154 0.000 2.316 300 E HA 0.394 4.744 4.350 -0.000 0.000 0.275 300 E C -0.582 176.023 176.600 0.010 0.000 1.029 300 E CA -0.460 55.978 56.400 0.063 0.000 0.871 300 E CB 1.121 30.941 29.700 0.200 0.000 1.022 300 E HN 0.506 nan 8.360 nan 0.000 0.418 301 V N 0.979 120.912 119.914 0.030 0.000 3.181 301 V HA 0.688 4.808 4.120 -0.000 0.000 0.307 301 V C -0.972 175.201 176.094 0.132 0.000 1.310 301 V CA -1.167 61.174 62.300 0.069 0.000 1.067 301 V CB 1.945 33.805 31.823 0.062 0.000 1.081 301 V HN 0.779 nan 8.190 nan 0.000 0.453 302 M N 1.372 121.077 119.600 0.174 0.000 2.446 302 M HA 0.852 5.332 4.480 -0.000 0.000 0.294 302 M C -0.246 176.167 176.300 0.187 0.000 1.158 302 M CA -0.382 55.020 55.300 0.169 0.000 0.899 302 M CB 2.147 34.799 32.600 0.087 0.000 1.687 302 M HN 1.334 nan 8.290 nan 0.000 0.455 303 A N 2.659 125.565 122.820 0.144 0.000 2.425 303 A HA 0.404 4.724 4.320 -0.000 0.000 0.249 303 A C -0.595 176.907 177.584 -0.136 0.000 1.084 303 A CA -0.228 51.715 52.037 -0.156 0.000 0.781 303 A CB 0.363 19.260 19.000 -0.171 0.000 1.019 303 A HN 0.693 nan 8.150 nan 0.000 0.490 304 Q N 2.037 121.710 119.800 -0.213 0.000 2.655 304 Q HA 0.377 4.717 4.340 -0.000 0.000 0.228 304 Q C -0.882 175.045 176.000 -0.121 0.000 1.186 304 Q CA -0.051 55.676 55.803 -0.126 0.000 1.004 304 Q CB 0.533 29.205 28.738 -0.109 0.000 1.242 304 Q HN 0.514 nan 8.270 nan 0.000 0.558 305 L N 1.453 122.621 121.223 -0.091 0.000 2.286 305 L HA 0.652 4.992 4.340 -0.000 0.000 0.265 305 L C -1.925 174.919 176.870 -0.044 0.000 1.012 305 L CA -1.997 52.799 54.840 -0.072 0.000 0.818 305 L CB 0.654 42.671 42.059 -0.070 0.000 1.337 305 L HN 0.234 nan 8.230 nan 0.000 0.438 306 P HA 0.281 nan 4.420 nan 0.000 0.272 306 P C 0.429 177.722 177.300 -0.011 0.000 1.240 306 P CA -0.166 62.924 63.100 -0.017 0.000 0.791 306 P CB 0.770 32.467 31.700 -0.006 0.000 0.978 307 T N -0.708 113.844 114.554 -0.004 0.000 3.009 307 T HA 0.056 4.406 4.350 -0.000 0.000 0.258 307 T C 0.677 175.384 174.700 0.012 0.000 1.063 307 T CA 0.727 62.826 62.100 -0.001 0.000 1.139 307 T CB -0.045 68.822 68.868 -0.002 0.000 0.890 307 T HN 0.271 nan 8.240 nan 0.000 0.471 308 R N 1.240 121.756 120.500 0.027 0.000 2.538 308 R HA 0.544 4.884 4.340 -0.000 0.000 0.292 308 R C -1.572 174.775 176.300 0.078 0.000 1.008 308 R CA -0.521 55.611 56.100 0.054 0.000 0.896 308 R CB 1.588 31.932 30.300 0.074 0.000 1.187 308 R HN 0.125 nan 8.270 nan 0.000 0.440 309 V N 1.322 121.275 119.914 0.066 0.000 3.001 309 V HA 0.653 4.773 4.120 -0.000 0.000 0.314 309 V C -0.595 175.515 176.094 0.026 0.000 1.099 309 V CA -1.144 61.191 62.300 0.059 0.000 0.989 309 V CB 2.068 33.903 31.823 0.019 0.000 1.040 309 V HN 0.887 nan 8.190 nan 0.000 0.434 310 M N 3.240 122.838 119.600 -0.003 0.000 2.336 310 M HA 0.770 5.250 4.480 -0.000 0.000 0.342 310 M C -1.825 174.427 176.300 -0.080 0.000 1.128 310 M CA -0.579 54.646 55.300 -0.125 0.000 1.016 310 M CB 1.775 34.222 32.600 -0.255 0.000 1.665 310 M HN 0.681 nan 8.290 nan 0.000 0.445 311 V N 3.824 123.684 119.914 -0.089 0.000 2.443 311 V HA 0.502 4.622 4.120 -0.000 0.000 0.293 311 V C -0.735 175.321 176.094 -0.064 0.000 1.021 311 V CA -0.568 61.696 62.300 -0.061 0.000 0.848 311 V CB 1.941 33.736 31.823 -0.045 0.000 0.998 311 V HN 0.930 nan 8.190 nan 0.000 0.424 312 T N 1.675 116.198 114.554 -0.052 0.000 2.991 312 T HA 0.634 4.984 4.350 -0.000 0.000 0.347 312 T C 0.954 175.633 174.700 -0.034 0.000 1.122 312 T CA 0.109 62.181 62.100 -0.047 0.000 1.062 312 T CB 1.193 70.032 68.868 -0.049 0.000 1.043 312 T HN 1.342 nan 8.240 nan 0.000 0.491 313 G N 3.660 112.442 108.800 -0.031 0.000 4.430 313 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.332 313 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.332 313 G C 1.109 175.995 174.900 -0.023 0.000 1.338 313 G CA 1.294 46.379 45.100 -0.025 0.000 1.024 313 G HN 1.737 nan 8.290 nan 0.000 0.750 314 S N -0.146 115.542 115.700 -0.020 0.000 2.787 314 S HA 0.614 5.084 4.470 -0.000 0.000 0.255 314 S C 0.548 175.138 174.600 -0.016 0.000 1.051 314 S CA 0.352 58.542 58.200 -0.018 0.000 1.124 314 S CB 0.225 63.416 63.200 -0.014 0.000 1.104 314 S HN 0.783 nan 8.310 nan 0.000 0.623 315 L N 2.196 123.408 121.223 -0.018 0.000 2.334 315 L HA 0.665 5.005 4.340 -0.000 0.000 0.277 315 L C -0.463 176.396 176.870 -0.018 0.000 1.075 315 L CA -0.691 54.140 54.840 -0.015 0.000 0.804 315 L CB 1.104 43.154 42.059 -0.015 0.000 1.174 315 L HN 0.190 nan 8.230 nan 0.000 0.438 316 I N 2.365 122.928 120.570 -0.011 0.000 2.607 316 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 316 I C -0.879 175.241 176.117 0.005 0.000 1.129 316 I CA -0.480 60.814 61.300 -0.009 0.000 1.042 316 I CB 2.253 40.246 38.000 -0.011 0.000 1.242 316 I HN 0.675 nan 8.210 nan 0.000 0.421 317 Q N 3.671 123.482 119.800 0.019 0.000 2.421 317 Q HA 0.710 5.050 4.340 -0.000 0.000 0.280 317 Q C -0.805 175.242 176.000 0.078 0.000 1.085 317 Q CA -1.010 54.822 55.803 0.048 0.000 0.807 317 Q CB 2.957 31.737 28.738 0.071 0.000 1.405 317 Q HN 0.755 nan 8.270 nan 0.000 0.419 318 A N 1.258 124.121 122.820 0.072 0.000 2.450 318 A HA 0.266 4.586 4.320 -0.000 0.000 0.255 318 A C -1.374 176.298 177.584 0.147 0.000 1.096 318 A CA 0.335 52.417 52.037 0.076 0.000 0.778 318 A CB -0.057 18.962 19.000 0.031 0.000 1.031 318 A HN 0.660 nan 8.150 nan 0.000 0.494 319 Y N 4.390 124.684 120.300 -0.010 0.000 2.705 319 Y HA 0.407 4.957 4.550 -0.000 0.000 0.355 319 Y C -2.554 173.343 175.900 -0.006 0.000 1.039 319 Y CA -2.658 55.438 58.100 -0.006 0.000 1.233 319 Y CB 1.749 40.206 38.460 -0.006 0.000 1.103 319 Y HN 0.495 nan 8.280 nan 0.000 0.624 320 P HA 0.257 nan 4.420 nan 0.000 0.280 320 P C -0.237 176.932 177.300 -0.219 0.000 1.386 320 P CA -0.031 62.995 63.100 -0.123 0.000 0.899 320 P CB 1.073 32.715 31.700 -0.096 0.000 1.098 321 A N 2.972 125.711 122.820 -0.136 0.000 2.728 321 A HA 0.113 4.433 4.320 -0.000 0.000 0.258 321 A C 1.811 179.353 177.584 -0.069 0.000 1.454 321 A CA 0.111 52.073 52.037 -0.126 0.000 1.146 321 A CB -1.021 17.992 19.000 0.023 0.000 0.985 321 A HN 0.384 nan 8.150 nan 0.000 0.603 322 S N 0.156 115.807 115.700 -0.082 0.000 2.389 322 S HA -0.235 4.235 4.470 -0.000 0.000 0.231 322 S C 2.146 176.720 174.600 -0.043 0.000 1.052 322 S CA 1.877 60.045 58.200 -0.054 0.000 1.053 322 S CB -0.133 63.032 63.200 -0.058 0.000 0.886 322 S HN 0.759 nan 8.310 nan 0.000 0.456 323 Q N 0.341 120.108 119.800 -0.054 0.000 2.036 323 Q HA 0.112 4.452 4.340 -0.000 0.000 0.195 323 Q C 1.559 177.548 176.000 -0.019 0.000 0.971 323 Q CA 0.355 56.133 55.803 -0.041 0.000 0.826 323 Q CB -1.226 27.480 28.738 -0.053 0.000 0.896 323 Q HN 0.549 nan 8.270 nan 0.000 0.449 324 c N 2.068 120.666 118.600 -0.004 0.000 2.833 324 c HA -0.007 4.563 4.570 -0.000 0.000 0.394 324 c C 0.948 175.069 174.090 0.052 0.000 1.229 324 c CA -0.129 56.231 56.329 0.051 0.000 1.826 324 c CB -0.622 41.941 42.510 0.089 0.000 2.659 324 c HN 0.296 nan 8.230 nan 0.000 0.675 325 T N 2.415 117.021 114.554 0.086 0.000 2.733 325 T HA 0.487 4.837 4.350 -0.000 0.000 0.294 325 T C -0.058 174.673 174.700 0.051 0.000 0.956 325 T CA 0.155 62.292 62.100 0.063 0.000 0.987 325 T CB -0.022 68.896 68.868 0.083 0.000 0.920 325 T HN 0.375 nan 8.240 nan 0.000 0.470 326 I N 2.703 123.293 120.570 0.032 0.000 2.392 326 I HA 0.437 4.607 4.170 -0.000 0.000 0.295 326 I C 0.613 176.737 176.117 0.011 0.000 0.985 326 I CA -0.573 60.743 61.300 0.025 0.000 1.221 326 I CB 1.837 39.852 38.000 0.024 0.000 1.366 326 I HN 0.448 nan 8.210 nan 0.000 0.467 327 T N 5.480 120.037 114.554 0.005 0.000 2.916 327 T HA 0.303 4.653 4.350 -0.000 0.000 0.292 327 T C -2.005 172.691 174.700 -0.007 0.000 1.055 327 T CA -1.227 60.871 62.100 -0.004 0.000 1.009 327 T CB 2.292 71.154 68.868 -0.010 0.000 1.118 327 T HN 0.286 nan 8.240 nan 0.000 0.497 328 P HA -0.060 nan 4.420 nan 0.000 0.218 328 P C 0.792 178.081 177.300 -0.018 0.000 1.146 328 P CA 1.158 64.249 63.100 -0.015 0.000 0.813 328 P CB 0.240 31.929 31.700 -0.018 0.000 0.778 329 N N -2.964 115.724 118.700 -0.020 0.000 2.159 329 N HA 0.094 4.834 4.740 -0.000 0.000 0.217 329 N C -0.036 175.458 175.510 -0.026 0.000 1.223 329 N CA 0.469 53.504 53.050 -0.024 0.000 0.896 329 N CB 0.947 39.418 38.487 -0.027 0.000 1.064 329 N HN 0.094 nan 8.380 nan 0.000 0.518 330 T N 0.461 115.002 114.554 -0.021 0.000 2.903 330 T HA 0.524 4.874 4.350 -0.000 0.000 0.299 330 T C -0.693 174.002 174.700 -0.008 0.000 1.093 330 T CA -0.456 61.629 62.100 -0.025 0.000 1.002 330 T CB 3.069 71.914 68.868 -0.037 0.000 1.127 330 T HN -0.330 nan 8.240 nan 0.000 0.488 331 V N 1.812 121.723 119.914 -0.006 0.000 2.482 331 V HA 0.699 4.819 4.120 -0.000 0.000 0.295 331 V C -0.576 175.536 176.094 0.030 0.000 1.026 331 V CA -0.817 61.505 62.300 0.038 0.000 0.856 331 V CB 0.924 32.794 31.823 0.080 0.000 1.001 331 V HN 1.070 nan 8.190 nan 0.000 0.424 332 Y N 1.515 121.842 120.300 0.046 0.000 2.341 332 Y HA 0.729 5.279 4.550 -0.000 0.000 0.338 332 Y C -0.098 175.972 175.900 0.285 0.000 0.965 332 Y CA -1.243 56.862 58.100 0.009 0.000 1.108 332 Y CB 1.516 39.874 38.460 -0.171 0.000 1.180 332 Y HN 0.821 nan 8.280 nan 0.000 0.458 333 c N 1.743 120.580 118.600 0.395 0.000 2.712 333 c HA 0.811 5.381 4.570 -0.000 0.000 0.308 333 c C 1.666 176.084 174.090 0.547 0.000 1.201 333 c CA -0.220 56.372 56.329 0.439 0.000 1.554 333 c CB 1.123 43.779 42.510 0.243 0.000 2.117 333 c HN 1.359 nan 8.230 nan 0.000 0.480 334 R N -0.369 120.226 120.500 0.157 0.000 2.062 334 R HA 0.365 4.705 4.340 -0.000 0.000 0.229 334 R C 0.804 177.170 176.300 0.111 0.000 1.128 334 R CA 2.240 58.356 56.100 0.026 0.000 0.960 334 R CB -0.931 29.241 30.300 -0.213 0.000 0.855 334 R HN 1.528 nan 8.270 nan 0.000 0.432 335 Y N -0.728 119.615 120.300 0.072 0.000 2.588 335 Y HA 0.637 5.187 4.550 -0.000 0.000 0.343 335 Y C -0.574 175.368 175.900 0.071 0.000 1.065 335 Y CA -1.597 56.543 58.100 0.068 0.000 1.038 335 Y CB 0.911 39.387 38.460 0.026 0.000 1.297 335 Y HN 0.367 nan 8.280 nan 0.000 0.467 336 N N 0.929 119.682 118.700 0.089 0.000 2.381 336 N HA 0.222 4.962 4.740 -0.000 0.000 0.241 336 N C -0.533 174.961 175.510 -0.027 0.000 1.279 336 N CA 0.950 54.061 53.050 0.101 0.000 0.896 336 N CB 1.498 40.081 38.487 0.160 0.000 1.118 336 N HN 0.874 nan 8.380 nan 0.000 0.438 337 D N -0.965 119.336 120.400 -0.165 0.000 2.562 337 D HA 0.219 4.859 4.640 -0.000 0.000 0.246 337 D C -0.306 175.883 176.300 -0.184 0.000 1.347 337 D CA -0.358 53.519 54.000 -0.204 0.000 0.800 337 D CB 0.324 40.947 40.800 -0.295 0.000 1.111 337 D HN 0.621 nan 8.370 nan 0.000 0.508 338 A N 0.391 123.169 122.820 -0.070 0.000 2.507 338 A HA 0.373 4.693 4.320 -0.000 0.000 0.235 338 A C 0.135 177.738 177.584 0.031 0.000 1.070 338 A CA 0.391 52.474 52.037 0.077 0.000 0.768 338 A CB 0.341 19.487 19.000 0.243 0.000 1.011 338 A HN 0.322 nan 8.150 nan 0.000 0.502 339 Q N -0.179 119.643 119.800 0.038 0.000 2.394 339 Q HA 0.507 4.847 4.340 -0.000 0.000 0.273 339 Q C -0.679 175.336 176.000 0.024 0.000 1.089 339 Q CA -1.054 54.759 55.803 0.017 0.000 0.812 339 Q CB 2.212 30.950 28.738 0.001 0.000 1.353 339 Q HN 0.805 nan 8.270 nan 0.000 0.438 340 V N 0.058 119.981 119.914 0.015 0.000 2.614 340 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 340 V C -0.231 175.866 176.094 0.005 0.000 1.049 340 V CA -0.469 61.838 62.300 0.012 0.000 1.038 340 V CB -0.039 31.788 31.823 0.007 0.000 0.980 340 V HN 0.571 nan 8.190 nan 0.000 0.481 341 L N 5.009 126.234 121.223 0.004 0.000 2.343 341 L HA 0.536 4.876 4.340 -0.000 0.000 0.275 341 L C 0.996 177.862 176.870 -0.007 0.000 1.056 341 L CA -0.305 54.533 54.840 -0.003 0.000 0.804 341 L CB 1.868 43.925 42.059 -0.004 0.000 1.203 341 L HN 1.037 nan 8.230 nan 0.000 0.440 342 S N -0.090 115.603 115.700 -0.012 0.000 2.596 342 S HA 0.047 4.517 4.470 -0.000 0.000 0.260 342 S C 0.619 175.212 174.600 -0.013 0.000 1.336 342 S CA -0.610 57.583 58.200 -0.012 0.000 0.993 342 S CB 0.865 64.055 63.200 -0.016 0.000 0.923 342 S HN 0.626 nan 8.310 nan 0.000 0.567 343 D N 0.835 121.229 120.400 -0.011 0.000 2.097 343 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 343 D C 1.337 177.630 176.300 -0.013 0.000 0.989 343 D CA 1.396 55.391 54.000 -0.010 0.000 0.827 343 D CB -0.380 40.416 40.800 -0.007 0.000 0.966 343 D HN 0.617 nan 8.370 nan 0.000 0.456 344 D N 0.310 120.701 120.400 -0.016 0.000 2.117 344 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 344 D C 1.986 178.267 176.300 -0.030 0.000 0.987 344 D CA 1.089 55.076 54.000 -0.021 0.000 0.829 344 D CB -0.280 40.506 40.800 -0.023 0.000 0.961 344 D HN 0.157 nan 8.370 nan 0.000 0.460 345 T N 0.995 115.530 114.554 -0.033 0.000 2.821 345 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 345 T C 2.117 176.798 174.700 -0.032 0.000 1.046 345 T CA 0.752 62.828 62.100 -0.041 0.000 1.139 345 T CB -0.011 68.835 68.868 -0.037 0.000 0.871 345 T HN 0.149 nan 8.240 nan 0.000 0.454 346 M N 0.918 120.505 119.600 -0.022 0.000 2.132 346 M HA -0.000 4.480 4.480 -0.000 0.000 0.263 346 M C 2.927 179.217 176.300 -0.017 0.000 1.065 346 M CA 1.419 56.709 55.300 -0.017 0.000 1.122 346 M CB -0.712 31.881 32.600 -0.012 0.000 1.365 346 M HN 0.303 nan 8.290 nan 0.000 0.411 347 A N -0.088 122.724 122.820 -0.015 0.000 1.908 347 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 347 A C 2.461 180.039 177.584 -0.010 0.000 1.181 347 A CA 1.983 54.014 52.037 -0.009 0.000 0.627 347 A CB -1.436 17.560 19.000 -0.006 0.000 0.818 347 A HN 0.675 nan 8.150 nan 0.000 0.445 348 c N -0.406 118.182 118.600 -0.021 0.000 2.436 348 c HA -0.037 4.533 4.570 -0.000 0.000 0.277 348 c C 2.553 176.629 174.090 -0.024 0.000 1.241 348 c CA 1.224 57.536 56.329 -0.027 0.000 1.721 348 c CB -1.600 40.872 42.510 -0.064 0.000 2.043 348 c HN 0.578 nan 8.230 nan 0.000 0.472 349 L N 0.342 121.548 121.223 -0.030 0.000 2.261 349 L HA -0.163 4.177 4.340 -0.000 0.000 0.216 349 L C 2.423 179.281 176.870 -0.020 0.000 1.114 349 L CA 1.453 56.278 54.840 -0.027 0.000 0.777 349 L CB -0.575 41.468 42.059 -0.026 0.000 0.910 349 L HN 0.555 nan 8.230 nan 0.000 0.440 350 Q N -0.833 118.958 119.800 -0.016 0.000 2.222 350 Q HA 0.158 4.498 4.340 -0.000 0.000 0.206 350 Q C 1.308 177.303 176.000 -0.009 0.000 0.877 350 Q CA 0.486 56.281 55.803 -0.015 0.000 0.958 350 Q CB 0.776 29.507 28.738 -0.013 0.000 1.075 350 Q HN 0.538 nan 8.270 nan 0.000 0.483 351 G N 1.583 110.383 108.800 -0.000 0.000 2.238 351 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 351 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 351 G C 0.176 175.097 174.900 0.035 0.000 0.996 351 G CA -0.250 44.860 45.100 0.016 0.000 0.632 351 G HN 0.326 nan 8.290 nan 0.000 0.503 352 N N 1.703 120.418 118.700 0.025 0.000 2.663 352 N HA 0.370 5.110 4.740 -0.000 0.000 0.250 352 N C 1.728 177.263 175.510 0.042 0.000 1.129 352 N CA -0.264 52.806 53.050 0.033 0.000 0.995 352 N CB -0.123 38.377 38.487 0.022 0.000 1.324 352 N HN 0.381 nan 8.380 nan 0.000 0.512 353 L N 1.042 122.307 121.223 0.069 0.000 2.549 353 L HA -0.051 4.289 4.340 -0.000 0.000 0.229 353 L C 1.385 178.328 176.870 0.122 0.000 1.158 353 L CA 0.664 55.566 54.840 0.105 0.000 0.842 353 L CB -0.430 41.714 42.059 0.141 0.000 0.952 353 L HN 0.347 nan 8.230 nan 0.000 0.452 354 T N -0.776 113.828 114.554 0.083 0.000 3.118 354 T HA 0.019 4.369 4.350 -0.000 0.000 0.260 354 T C 1.765 176.502 174.700 0.062 0.000 1.139 354 T CA 0.665 62.812 62.100 0.078 0.000 1.085 354 T CB -0.046 68.853 68.868 0.051 0.000 0.934 354 T HN 0.309 nan 8.240 nan 0.000 0.518 355 R N -0.165 120.358 120.500 0.039 0.000 2.397 355 R HA 0.253 4.593 4.340 -0.000 0.000 0.241 355 R C 0.277 176.557 176.300 -0.034 0.000 0.914 355 R CA -0.146 55.959 56.100 0.008 0.000 1.071 355 R CB -0.020 30.279 30.300 -0.001 0.000 1.116 355 R HN 0.327 nan 8.270 nan 0.000 0.524 356 c N 0.863 119.431 118.600 -0.054 0.000 2.553 356 c HA 0.343 4.913 4.570 -0.000 0.000 0.345 356 c C 0.936 174.842 174.090 -0.307 0.000 1.369 356 c CA 0.004 56.194 56.329 -0.232 0.000 2.447 356 c CB 1.194 43.476 42.510 -0.381 0.000 2.358 356 c HN 0.220 nan 8.230 nan 0.000 0.676 357 T N 1.581 115.841 114.554 -0.489 0.000 2.840 357 T HA 0.555 4.905 4.350 -0.000 0.000 0.287 357 T C -0.968 173.423 174.700 -0.515 0.000 0.991 357 T CA 0.039 61.937 62.100 -0.338 0.000 0.964 357 T CB 0.352 69.120 68.868 -0.167 0.000 0.954 357 T HN 0.348 nan 8.240 nan 0.000 0.438 358 F N 1.123 121.066 119.950 -0.012 0.000 2.492 358 F HA 0.667 5.194 4.527 -0.000 0.000 0.327 358 F C 0.797 176.587 175.800 -0.016 0.000 1.079 358 F CA -0.910 57.082 58.000 -0.013 0.000 0.967 358 F CB 1.825 40.814 39.000 -0.019 0.000 1.169 358 F HN 0.335 nan 8.300 nan 0.000 0.472 359 S N 3.320 119.111 115.700 0.152 0.000 2.502 359 S HA 0.479 4.949 4.470 -0.000 0.000 0.304 359 S C -2.722 171.923 174.600 0.074 0.000 1.097 359 S CA -1.424 56.825 58.200 0.082 0.000 1.045 359 S CB 1.787 65.012 63.200 0.042 0.000 1.019 359 S HN 0.249 nan 8.310 nan 0.000 0.481 360 P HA 0.180 nan 4.420 nan 0.000 0.268 360 P C -0.443 176.878 177.300 0.035 0.000 1.205 360 P CA -0.147 62.969 63.100 0.027 0.000 0.771 360 P CB 0.547 32.250 31.700 0.006 0.000 0.858 361 V N 0.639 120.577 119.914 0.041 0.000 3.156 361 V HA 0.588 4.708 4.120 -0.000 0.000 0.311 361 V C -0.573 175.552 176.094 0.050 0.000 1.208 361 V CA -1.086 61.241 62.300 0.045 0.000 1.063 361 V CB 2.001 33.856 31.823 0.053 0.000 1.098 361 V HN 0.173 nan 8.190 nan 0.000 0.452 362 V N 1.885 121.829 119.914 0.050 0.000 2.293 362 V HA 0.684 4.804 4.120 -0.000 0.000 0.275 362 V C 1.057 177.189 176.094 0.064 0.000 1.021 362 V CA 0.390 62.724 62.300 0.055 0.000 0.815 362 V CB 0.416 32.266 31.823 0.046 0.000 1.025 362 V HN 1.286 nan 8.190 nan 0.000 0.448 363 G N 3.820 112.667 108.800 0.078 0.000 2.636 363 G HA2 0.532 4.492 3.960 -0.000 0.000 0.246 363 G HA3 0.532 4.492 3.960 -0.000 0.000 0.246 363 G C 0.022 174.978 174.900 0.093 0.000 1.216 363 G CA 0.271 45.422 45.100 0.085 0.000 0.854 363 G HN 0.906 nan 8.290 nan 0.000 0.572 364 S N -0.488 115.274 115.700 0.103 0.000 2.607 364 S HA 0.434 4.904 4.470 -0.000 0.000 0.273 364 S C 0.483 175.197 174.600 0.190 0.000 1.148 364 S CA -0.596 57.689 58.200 0.142 0.000 0.833 364 S CB 1.306 64.579 63.200 0.120 0.000 1.130 364 S HN 0.598 nan 8.310 nan 0.000 0.470 365 F N 1.577 121.586 119.950 0.099 0.000 2.043 365 F HA -0.126 4.401 4.527 0.000 0.000 0.297 365 F C 1.872 177.744 175.800 0.119 0.000 1.118 365 F CA 2.035 60.132 58.000 0.163 0.000 1.202 365 F CB -0.608 38.490 39.000 0.163 0.000 0.965 365 F HN 0.610 nan 8.300 nan 0.000 0.482 366 L N -0.236 121.099 121.223 0.187 0.000 2.357 366 L HA -0.221 4.119 4.340 -0.000 0.000 0.220 366 L C 1.776 178.544 176.870 -0.170 0.000 1.123 366 L CA 1.813 56.634 54.840 -0.031 0.000 0.782 366 L CB -1.403 40.700 42.059 0.074 0.000 0.910 366 L HN 0.471 nan 8.230 nan 0.000 0.442 367 T N -5.681 108.815 114.554 -0.096 0.000 3.084 367 T HA 0.161 4.511 4.350 -0.000 0.000 0.270 367 T C 1.501 176.163 174.700 -0.064 0.000 1.008 367 T CA -0.419 61.629 62.100 -0.086 0.000 0.900 367 T CB 0.276 69.136 68.868 -0.013 0.000 1.084 367 T HN 0.172 nan 8.240 nan 0.000 0.538 368 R N 0.434 120.894 120.500 -0.067 0.000 2.300 368 R HA 0.411 4.751 4.340 -0.000 0.000 0.199 368 R C -0.235 176.154 176.300 0.148 0.000 0.920 368 R CA 0.239 56.372 56.100 0.054 0.000 1.046 368 R CB 0.230 30.599 30.300 0.115 0.000 0.984 368 R HN 0.624 nan 8.270 nan 0.000 0.493 369 F N -3.654 116.241 119.950 -0.091 0.000 2.741 369 F HA 0.666 5.193 4.527 -0.000 0.000 0.313 369 F C -1.431 174.363 175.800 -0.009 0.000 1.153 369 F CA -1.364 56.617 58.000 -0.030 0.000 0.931 369 F CB 1.105 40.073 39.000 -0.052 0.000 1.335 369 F HN -0.400 nan 8.300 nan 0.000 0.460 370 V N 1.460 121.498 119.914 0.207 0.000 3.178 370 V HA 0.535 4.655 4.120 -0.000 0.000 0.302 370 V C -1.652 174.627 176.094 0.307 0.000 1.262 370 V CA -0.742 61.612 62.300 0.089 0.000 1.030 370 V CB 2.471 34.319 31.823 0.043 0.000 1.074 370 V HN 0.823 nan 8.190 nan 0.000 0.438 371 L N 2.843 124.189 121.223 0.204 0.000 2.305 371 L HA 0.596 4.936 4.340 -0.000 0.000 0.284 371 L C -1.104 175.903 176.870 0.229 0.000 1.013 371 L CA 0.088 55.052 54.840 0.207 0.000 0.819 371 L CB 1.277 43.363 42.059 0.046 0.000 1.227 371 L HN 0.569 nan 8.230 nan 0.000 0.417 372 F N 3.843 123.857 119.950 0.107 0.000 2.434 372 F HA 0.343 4.870 4.527 -0.000 0.000 0.355 372 F C 0.211 176.056 175.800 0.076 0.000 1.115 372 F CA -0.810 57.213 58.000 0.038 0.000 1.010 372 F CB 0.495 39.459 39.000 -0.059 0.000 1.234 372 F HN 0.585 nan 8.300 nan 0.000 0.439 373 D N 4.803 125.097 120.400 -0.177 0.000 2.704 373 D HA -0.213 4.427 4.640 -0.000 0.000 0.232 373 D C 1.296 177.614 176.300 0.029 0.000 1.183 373 D CA 1.693 55.625 54.000 -0.115 0.000 0.647 373 D CB -0.764 39.931 40.800 -0.175 0.000 1.013 373 D HN 1.142 nan 8.370 nan 0.000 0.415 374 G N -1.236 107.592 108.800 0.046 0.000 2.320 374 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.242 374 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.242 374 G C 0.341 175.327 174.900 0.142 0.000 1.033 374 G CA 0.285 45.429 45.100 0.073 0.000 0.620 374 G HN 0.449 nan 8.290 nan 0.000 0.517 375 I N 1.396 122.098 120.570 0.219 0.000 2.396 375 I HA 0.573 4.743 4.170 -0.000 0.000 0.292 375 I C 0.766 177.093 176.117 0.349 0.000 0.999 375 I CA -0.786 60.670 61.300 0.259 0.000 1.310 375 I CB 1.728 39.909 38.000 0.302 0.000 1.404 375 I HN 0.317 nan 8.210 nan 0.000 0.496 376 V N 7.186 127.259 119.914 0.264 0.000 2.539 376 V HA 0.480 4.600 4.120 -0.000 0.000 0.292 376 V C -1.384 174.847 176.094 0.229 0.000 1.045 376 V CA -0.271 62.230 62.300 0.335 0.000 0.945 376 V CB 1.216 33.236 31.823 0.328 0.000 0.993 376 V HN 0.508 nan 8.190 nan 0.000 0.464 377 Y N 4.722 125.125 120.300 0.172 0.000 2.328 377 Y HA 0.839 5.389 4.550 -0.000 0.000 0.333 377 Y C 0.409 176.398 175.900 0.148 0.000 0.958 377 Y CA 0.021 58.189 58.100 0.112 0.000 1.167 377 Y CB 1.689 40.181 38.460 0.053 0.000 1.151 377 Y HN 1.069 nan 8.280 nan 0.000 0.470 378 A N 2.661 125.594 122.820 0.189 0.000 2.515 378 A HA 0.536 4.856 4.320 -0.000 0.000 0.296 378 A C -1.090 176.557 177.584 0.106 0.000 1.094 378 A CA -0.982 51.163 52.037 0.179 0.000 0.718 378 A CB 1.382 20.461 19.000 0.133 0.000 1.307 378 A HN 0.587 nan 8.150 nan 0.000 0.408 379 N N 1.136 119.899 118.700 0.106 0.000 2.521 379 N HA 0.135 4.875 4.740 -0.000 0.000 0.236 379 N C -0.045 175.477 175.510 0.021 0.000 1.067 379 N CA -0.243 52.852 53.050 0.074 0.000 0.939 379 N CB 0.413 38.960 38.487 0.101 0.000 1.201 379 N HN 0.465 nan 8.380 nan 0.000 0.511 380 c N 2.439 121.026 118.600 -0.022 0.000 2.625 380 c HA 0.236 4.806 4.570 -0.000 0.000 0.285 380 c C 2.253 176.267 174.090 -0.126 0.000 1.279 380 c CA 0.240 56.533 56.329 -0.061 0.000 1.698 380 c CB -1.715 40.758 42.510 -0.060 0.000 1.821 380 c HN 0.822 nan 8.230 nan 0.000 0.600 381 R N 0.086 120.463 120.500 -0.206 0.000 2.103 381 R HA 0.088 4.428 4.340 -0.000 0.000 0.212 381 R C 2.004 178.098 176.300 -0.344 0.000 1.107 381 R CA 1.512 57.361 56.100 -0.419 0.000 1.025 381 R CB -1.136 28.602 30.300 -0.938 0.000 0.929 381 R HN 0.425 nan 8.270 nan 0.000 0.456 382 S N -0.131 115.438 115.700 -0.217 0.000 2.489 382 S HA 0.209 4.679 4.470 -0.000 0.000 0.228 382 S C 0.763 175.360 174.600 -0.006 0.000 0.995 382 S CA 0.809 58.973 58.200 -0.060 0.000 0.934 382 S CB -0.119 63.122 63.200 0.069 0.000 0.771 382 S HN 0.614 nan 8.310 nan 0.000 0.522 383 M N 1.043 120.636 119.600 -0.011 0.000 2.591 383 M HA 0.505 4.985 4.480 -0.000 0.000 0.306 383 M C -1.851 174.442 176.300 -0.011 0.000 1.190 383 M CA -0.991 54.326 55.300 0.028 0.000 0.889 383 M CB 1.635 34.278 32.600 0.072 0.000 1.728 383 M HN 0.050 nan 8.290 nan 0.000 0.458 384 L N 4.309 125.533 121.223 0.001 0.000 2.295 384 L HA 0.368 4.708 4.340 -0.000 0.000 0.288 384 L C -1.390 175.455 176.870 -0.043 0.000 1.079 384 L CA 0.143 54.967 54.840 -0.027 0.000 0.830 384 L CB 0.293 42.341 42.059 -0.019 0.000 1.200 384 L HN 0.745 nan 8.230 nan 0.000 0.438 385 c N 5.357 123.918 118.600 -0.066 0.000 2.145 385 c HA 0.288 4.858 4.570 -0.000 0.000 0.374 385 c C 0.597 174.628 174.090 -0.098 0.000 1.035 385 c CA -0.800 55.473 56.329 -0.094 0.000 1.431 385 c CB -1.248 41.208 42.510 -0.090 0.000 1.789 385 c HN 0.734 nan 8.230 nan 0.000 0.483 386 K N 2.072 122.409 120.400 -0.104 0.000 2.262 386 K HA 0.353 4.673 4.320 -0.000 0.000 0.282 386 K C -0.163 176.364 176.600 -0.122 0.000 1.066 386 K CA -0.282 55.946 56.287 -0.098 0.000 0.901 386 K CB 0.436 32.886 32.500 -0.083 0.000 1.089 386 K HN 0.743 nan 8.250 nan 0.000 0.476 387 c N 6.849 125.385 118.600 -0.107 0.000 2.514 387 c HA 0.257 4.827 4.570 -0.000 0.000 0.392 387 c C 1.437 175.469 174.090 -0.098 0.000 1.294 387 c CA -0.692 55.570 56.329 -0.112 0.000 1.957 387 c CB -0.236 42.216 42.510 -0.097 0.000 2.541 387 c HN 0.953 nan 8.230 nan 0.000 0.569 388 M N 2.819 122.357 119.600 -0.104 0.000 2.384 388 M HA 0.011 4.491 4.480 -0.000 0.000 0.258 388 M C 2.171 178.432 176.300 -0.065 0.000 1.130 388 M CA 1.376 56.626 55.300 -0.083 0.000 1.187 388 M CB -1.208 31.339 32.600 -0.089 0.000 1.307 388 M HN 0.732 nan 8.290 nan 0.000 0.468 389 Q N 0.497 120.259 119.800 -0.062 0.000 1.942 389 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 389 Q C -0.584 175.386 176.000 -0.050 0.000 0.987 389 Q CA 1.681 57.456 55.803 -0.047 0.000 0.844 389 Q CB -2.147 26.568 28.738 -0.037 0.000 0.911 389 Q HN 0.319 nan 8.270 nan 0.000 0.423 390 P HA 0.083 nan 4.420 nan 0.000 0.239 390 P C -0.820 176.442 177.300 -0.064 0.000 1.184 390 P CA 0.744 63.805 63.100 -0.065 0.000 0.760 390 P CB -0.107 31.544 31.700 -0.082 0.000 0.884 391 A N -0.661 122.123 122.820 -0.061 0.000 1.637 391 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 391 A C 0.439 177.988 177.584 -0.059 0.000 1.243 391 A CA 0.712 52.714 52.037 -0.058 0.000 0.702 391 A CB -1.656 17.316 19.000 -0.048 0.000 1.179 391 A HN 0.499 nan 8.150 nan 0.000 0.227 392 A N 1.066 123.847 122.820 -0.064 0.000 2.544 392 A HA 0.779 5.099 4.320 -0.000 0.000 0.291 392 A C -0.418 177.126 177.584 -0.067 0.000 1.055 392 A CA 0.192 52.192 52.037 -0.062 0.000 0.651 392 A CB 0.481 19.442 19.000 -0.066 0.000 1.296 392 A HN 2.239 nan 8.150 nan 0.000 0.431 393 V N 2.035 121.912 119.914 -0.062 0.000 2.370 393 V HA 0.567 4.687 4.120 -0.000 0.000 0.283 393 V C -0.395 175.659 176.094 -0.067 0.000 1.023 393 V CA -0.645 61.617 62.300 -0.065 0.000 0.857 393 V CB 0.683 32.472 31.823 -0.057 0.000 0.985 393 V HN 0.647 nan 8.190 nan 0.000 0.443 394 I N 7.985 128.511 120.570 -0.073 0.000 2.505 394 I HA 0.190 4.359 4.170 -0.000 0.000 0.287 394 I C 0.009 176.083 176.117 -0.070 0.000 1.104 394 I CA 0.238 61.495 61.300 -0.071 0.000 1.387 394 I CB 0.435 38.390 38.000 -0.076 0.000 1.404 394 I HN 0.392 nan 8.210 nan 0.000 0.528 395 L N 6.924 128.107 121.223 -0.066 0.000 2.322 395 L HA 0.423 4.763 4.340 -0.000 0.000 0.279 395 L C -0.090 176.740 176.870 -0.067 0.000 1.036 395 L CA -0.571 54.227 54.840 -0.070 0.000 0.807 395 L CB 1.537 43.559 42.059 -0.061 0.000 1.226 395 L HN 0.599 nan 8.230 nan 0.000 0.433 396 Q N 4.986 124.738 119.800 -0.080 0.000 2.368 396 Q HA 0.396 4.736 4.340 -0.000 0.000 0.263 396 Q C -2.341 173.627 176.000 -0.053 0.000 1.009 396 Q CA -1.648 54.116 55.803 -0.066 0.000 0.818 396 Q CB 1.797 30.488 28.738 -0.078 0.000 1.239 396 Q HN 0.352 nan 8.270 nan 0.000 0.464 397 P HA 0.076 nan 4.420 nan 0.000 0.275 397 P C 0.033 177.346 177.300 0.021 0.000 1.228 397 P CA -0.146 62.948 63.100 -0.009 0.000 0.786 397 P CB 1.461 33.154 31.700 -0.012 0.000 0.927 398 S N 1.534 117.262 115.700 0.047 0.000 2.407 398 S HA -0.193 4.277 4.470 -0.000 0.000 0.235 398 S C 1.868 176.498 174.600 0.050 0.000 1.036 398 S CA 2.020 60.275 58.200 0.091 0.000 1.013 398 S CB -0.875 62.370 63.200 0.075 0.000 0.820 398 S HN 0.773 nan 8.310 nan 0.000 0.476 399 S N 0.479 116.190 115.700 0.019 0.000 2.474 399 S HA 0.071 4.541 4.470 -0.000 0.000 0.235 399 S C 0.709 175.308 174.600 -0.002 0.000 0.997 399 S CA 0.140 58.341 58.200 0.001 0.000 0.949 399 S CB -0.105 63.091 63.200 -0.007 0.000 0.766 399 S HN 0.215 nan 8.310 nan 0.000 0.517 400 S N 3.540 119.246 115.700 0.009 0.000 2.520 400 S HA 0.393 4.863 4.470 -0.000 0.000 0.324 400 S C -1.929 172.690 174.600 0.031 0.000 1.069 400 S CA -1.288 56.916 58.200 0.007 0.000 1.121 400 S CB 1.701 64.899 63.200 -0.005 0.000 0.971 400 S HN 0.266 nan 8.310 nan 0.000 0.463 401 P HA 0.027 nan 4.420 nan 0.000 0.230 401 P C -0.018 177.325 177.300 0.072 0.000 1.158 401 P CA 0.642 63.763 63.100 0.036 0.000 0.769 401 P CB 0.248 31.925 31.700 -0.038 0.000 0.807 402 V N -1.115 118.835 119.914 0.060 0.000 3.048 402 V HA 0.291 4.411 4.120 -0.000 0.000 0.303 402 V C -0.269 175.839 176.094 0.024 0.000 1.214 402 V CA -0.642 61.699 62.300 0.069 0.000 0.984 402 V CB 2.513 34.406 31.823 0.117 0.000 1.054 402 V HN 0.031 nan 8.190 nan 0.000 0.430 403 T N 0.501 115.053 114.554 -0.003 0.000 2.918 403 T HA 0.809 5.159 4.350 -0.000 0.000 0.286 403 T C -0.818 173.795 174.700 -0.144 0.000 1.026 403 T CA -0.736 61.329 62.100 -0.059 0.000 1.031 403 T CB 1.791 70.626 68.868 -0.055 0.000 1.046 403 T HN 0.400 nan 8.240 nan 0.000 0.479 404 V N 3.356 123.141 119.914 -0.216 0.000 2.370 404 V HA 0.425 4.545 4.120 -0.000 0.000 0.283 404 V C -0.136 175.835 176.094 -0.205 0.000 1.023 404 V CA -0.820 61.242 62.300 -0.397 0.000 0.857 404 V CB 0.938 32.484 31.823 -0.463 0.000 0.985 404 V HN 0.826 nan 8.190 nan 0.000 0.443 405 I N 6.050 126.527 120.570 -0.155 0.000 2.330 405 I HA 0.402 4.572 4.170 -0.000 0.000 0.286 405 I C -0.259 175.859 176.117 0.003 0.000 1.025 405 I CA -0.419 60.849 61.300 -0.053 0.000 1.197 405 I CB 1.142 39.126 38.000 -0.026 0.000 1.358 405 I HN 0.670 nan 8.210 nan 0.000 0.467 406 D N 5.388 125.802 120.400 0.022 0.000 2.592 406 D HA 0.206 4.846 4.640 -0.000 0.000 0.259 406 D C 0.927 177.277 176.300 0.083 0.000 1.144 406 D CA -0.892 53.150 54.000 0.071 0.000 1.080 406 D CB 1.081 41.929 40.800 0.079 0.000 1.225 406 D HN 0.443 nan 8.370 nan 0.000 0.619 407 M N -0.761 118.902 119.600 0.104 0.000 2.202 407 M HA -0.191 4.288 4.480 -0.000 0.000 0.262 407 M C 1.498 177.870 176.300 0.120 0.000 1.063 407 M CA 1.280 56.640 55.300 0.100 0.000 1.097 407 M CB -0.277 32.386 32.600 0.104 0.000 1.382 407 M HN 0.488 nan 8.290 nan 0.000 0.413 408 Y N 0.947 121.251 120.300 0.006 0.000 2.333 408 Y HA -0.181 4.369 4.550 0.000 0.000 0.290 408 Y C 1.866 177.760 175.900 -0.011 0.000 1.144 408 Y CA 1.610 59.709 58.100 -0.001 0.000 1.228 408 Y CB -0.068 38.391 38.460 -0.001 0.000 0.985 408 Y HN 0.228 nan 8.280 nan 0.000 0.542 409 K N -1.967 118.414 120.400 -0.031 0.000 2.242 409 K HA 0.131 4.451 4.320 -0.000 0.000 0.200 409 K C -0.146 176.396 176.600 -0.097 0.000 1.050 409 K CA 0.692 56.918 56.287 -0.103 0.000 0.981 409 K CB 0.372 32.842 32.500 -0.050 0.000 0.795 409 K HN 0.127 nan 8.250 nan 0.000 0.477 410 c N -0.033 118.535 118.600 -0.053 0.000 2.989 410 c HA 0.240 4.810 4.570 -0.000 0.000 0.397 410 c C 1.294 175.371 174.090 -0.021 0.000 1.022 410 c CA -0.898 55.398 56.329 -0.054 0.000 1.232 410 c CB 0.931 43.399 42.510 -0.070 0.000 1.638 410 c HN 0.105 nan 8.230 nan 0.000 0.534 411 V N 3.041 122.940 119.914 -0.025 0.000 2.374 411 V HA 0.155 4.275 4.120 -0.000 0.000 0.241 411 V C 1.248 177.338 176.094 -0.006 0.000 1.034 411 V CA 1.513 63.814 62.300 0.002 0.000 1.037 411 V CB 0.013 31.836 31.823 -0.000 0.000 0.682 411 V HN 0.851 nan 8.190 nan 0.000 0.463 412 S N 0.481 116.154 115.700 -0.045 0.000 2.498 412 S HA 0.608 5.078 4.470 -0.000 0.000 0.324 412 S C -1.025 173.479 174.600 -0.160 0.000 1.071 412 S CA -0.462 57.690 58.200 -0.079 0.000 1.113 412 S CB 0.827 63.990 63.200 -0.061 0.000 0.976 412 S HN 0.237 nan 8.310 nan 0.000 0.462 413 L N 4.493 125.537 121.223 -0.298 0.000 2.330 413 L HA 0.699 5.039 4.340 -0.000 0.000 0.271 413 L C -0.590 175.967 176.870 -0.523 0.000 1.013 413 L CA -0.121 54.472 54.840 -0.411 0.000 0.816 413 L CB 1.939 43.694 42.059 -0.506 0.000 1.287 413 L HN 0.774 nan 8.230 nan 0.000 0.435 414 Q N 3.821 123.398 119.800 -0.372 0.000 2.294 414 Q HA 0.489 4.829 4.340 -0.000 0.000 0.264 414 Q C -2.056 173.816 176.000 -0.214 0.000 0.992 414 Q CA -0.383 55.246 55.803 -0.290 0.000 0.747 414 Q CB 1.275 29.912 28.738 -0.168 0.000 1.262 414 Q HN 0.740 nan 8.270 nan 0.000 0.452 415 L N 5.312 126.422 121.223 -0.189 0.000 2.360 415 L HA 0.283 4.623 4.340 -0.000 0.000 0.265 415 L C -0.600 176.363 176.870 0.156 0.000 1.066 415 L CA -0.859 53.956 54.840 -0.043 0.000 0.929 415 L CB 0.542 42.462 42.059 -0.231 0.000 1.306 415 L HN 0.819 nan 8.230 nan 0.000 0.434 416 D N 2.941 123.373 120.400 0.054 0.000 6.201 416 D HA -0.312 4.328 4.640 -0.000 0.000 0.184 416 D C 0.395 176.650 176.300 -0.074 0.000 1.039 416 D CA 0.907 54.904 54.000 -0.005 0.000 0.988 416 D CB -0.327 40.475 40.800 0.003 0.000 1.295 416 D HN 0.820 nan 8.370 nan 0.000 0.734 417 N N -1.266 117.398 118.700 -0.061 0.000 2.896 417 N HA -0.230 4.510 4.740 -0.000 0.000 0.198 417 N C 0.114 175.620 175.510 -0.007 0.000 1.061 417 N CA 1.077 54.088 53.050 -0.064 0.000 1.096 417 N CB -0.890 37.515 38.487 -0.136 0.000 0.963 417 N HN 0.513 nan 8.380 nan 0.000 0.570 418 L N 2.176 123.429 121.223 0.050 0.000 2.264 418 L HA 0.446 4.786 4.340 -0.000 0.000 0.289 418 L C 0.340 177.230 176.870 0.034 0.000 1.044 418 L CA 0.094 55.029 54.840 0.158 0.000 0.807 418 L CB 0.864 43.161 42.059 0.398 0.000 1.192 418 L HN 0.106 nan 8.230 nan 0.000 0.425 419 R N 5.144 125.674 120.500 0.050 0.000 2.435 419 R HA 0.573 4.913 4.340 -0.000 0.000 0.308 419 R C -1.598 174.726 176.300 0.041 0.000 0.975 419 R CA -0.456 55.600 56.100 -0.072 0.000 0.867 419 R CB 0.769 31.046 30.300 -0.038 0.000 1.171 419 R HN 0.572 nan 8.270 nan 0.000 0.470 420 F N -0.779 119.177 119.950 0.009 0.000 2.692 420 F HA 0.610 5.137 4.527 -0.000 0.000 0.320 420 F C -0.988 174.817 175.800 0.009 0.000 1.123 420 F CA -1.079 56.932 58.000 0.017 0.000 0.961 420 F CB 1.398 40.420 39.000 0.036 0.000 1.383 420 F HN 0.035 nan 8.300 nan 0.000 0.483 421 T N 2.327 117.104 114.554 0.372 0.000 2.829 421 T HA 0.635 4.985 4.350 -0.000 0.000 0.282 421 T C -0.379 174.494 174.700 0.288 0.000 0.990 421 T CA -0.352 61.887 62.100 0.231 0.000 1.028 421 T CB 1.017 69.963 68.868 0.130 0.000 0.951 421 T HN 0.497 nan 8.240 nan 0.000 0.460 422 I N 3.172 123.864 120.570 0.204 0.000 2.330 422 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 422 I C 1.240 177.425 176.117 0.113 0.000 1.001 422 I CA -0.505 60.903 61.300 0.179 0.000 1.193 422 I CB 1.680 39.782 38.000 0.170 0.000 1.345 422 I HN 0.790 nan 8.210 nan 0.000 0.461 423 T N 0.743 115.355 114.554 0.097 0.000 3.040 423 T HA 0.227 4.577 4.350 -0.000 0.000 0.266 423 T C 0.580 175.322 174.700 0.070 0.000 1.005 423 T CA -0.376 61.769 62.100 0.074 0.000 0.906 423 T CB 0.253 69.157 68.868 0.060 0.000 1.082 423 T HN 0.377 nan 8.240 nan 0.000 0.531 424 Q N 1.011 120.859 119.800 0.080 0.000 2.212 424 Q HA 0.673 5.013 4.340 -0.000 0.000 0.238 424 Q C -0.530 175.522 176.000 0.086 0.000 0.955 424 Q CA -0.582 55.267 55.803 0.077 0.000 0.906 424 Q CB 1.703 30.491 28.738 0.084 0.000 1.215 424 Q HN 0.396 nan 8.270 nan 0.000 0.478 425 L N 0.204 121.472 121.223 0.076 0.000 2.354 425 L HA 0.759 5.099 4.340 -0.000 0.000 0.269 425 L C -0.425 176.490 176.870 0.076 0.000 1.005 425 L CA -1.213 53.670 54.840 0.072 0.000 0.819 425 L CB 2.043 44.125 42.059 0.039 0.000 1.311 425 L HN 0.639 nan 8.230 nan 0.000 0.423 426 A N 1.105 123.970 122.820 0.074 0.000 2.295 426 A HA 0.593 4.913 4.320 -0.000 0.000 0.318 426 A C -0.011 177.608 177.584 0.059 0.000 1.134 426 A CA -0.480 51.609 52.037 0.087 0.000 0.827 426 A CB 0.626 19.673 19.000 0.079 0.000 1.136 426 A HN 0.880 nan 8.150 nan 0.000 0.493 427 N N -0.273 118.472 118.700 0.075 0.000 2.113 427 N HA -0.030 4.710 4.740 -0.000 0.000 0.223 427 N C 0.393 175.956 175.510 0.088 0.000 1.310 427 N CA 0.729 53.813 53.050 0.056 0.000 0.896 427 N CB -0.413 38.101 38.487 0.046 0.000 1.097 427 N HN 0.571 nan 8.380 nan 0.000 0.507 428 V N -1.226 118.764 119.914 0.127 0.000 3.377 428 V HA 0.079 4.199 4.120 -0.000 0.000 0.290 428 V C 0.797 177.010 176.094 0.198 0.000 1.188 428 V CA 0.699 63.117 62.300 0.197 0.000 1.265 428 V CB -2.132 29.831 31.823 0.234 0.000 1.011 428 V HN 0.138 nan 8.190 nan 0.000 0.440 429 T N 0.952 115.569 114.554 0.105 0.000 3.139 429 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 429 T C 0.684 175.377 174.700 -0.012 0.000 1.164 429 T CA 0.876 62.994 62.100 0.029 0.000 1.075 429 T CB -0.873 68.002 68.868 0.011 0.000 0.904 429 T HN 0.950 nan 8.240 nan 0.000 0.540 430 Y N 2.783 123.095 120.300 0.020 0.000 2.996 430 Y HA 0.008 4.558 4.550 -0.000 0.000 0.347 430 Y C 0.062 175.973 175.900 0.018 0.000 1.276 430 Y CA -1.177 56.934 58.100 0.018 0.000 1.601 430 Y CB -0.016 38.457 38.460 0.022 0.000 1.193 430 Y HN -0.108 nan 8.280 nan 0.000 0.582 431 N N 2.947 121.472 118.700 -0.293 0.000 2.443 431 N HA 0.498 5.238 4.740 -0.000 0.000 0.295 431 N C -1.777 173.599 175.510 -0.222 0.000 1.076 431 N CA -0.478 52.365 53.050 -0.346 0.000 0.919 431 N CB 1.579 39.982 38.487 -0.140 0.000 1.176 431 N HN 0.686 nan 8.380 nan 0.000 0.487 432 S N 0.838 116.401 115.700 -0.229 0.000 2.616 432 S HA 0.158 4.628 4.470 -0.000 0.000 0.276 432 S C -1.056 173.522 174.600 -0.037 0.000 1.159 432 S CA -0.685 57.496 58.200 -0.032 0.000 1.000 432 S CB 0.791 64.082 63.200 0.152 0.000 1.117 432 S HN 0.508 nan 8.310 nan 0.000 0.464 433 T N 3.600 118.148 114.554 -0.011 0.000 2.822 433 T HA 0.081 4.431 4.350 -0.000 0.000 0.288 433 T C 0.503 175.207 174.700 0.007 0.000 0.991 433 T CA 0.550 62.645 62.100 -0.008 0.000 1.176 433 T CB -0.435 68.434 68.868 0.001 0.000 0.951 433 T HN 0.438 nan 8.240 nan 0.000 0.526 434 I N 3.025 123.594 120.570 -0.001 0.000 2.278 434 I HA 0.282 4.452 4.170 -0.000 0.000 0.296 434 I C 0.913 177.035 176.117 0.008 0.000 1.121 434 I CA -0.510 60.797 61.300 0.011 0.000 1.267 434 I CB -0.192 37.809 38.000 0.001 0.000 1.447 434 I HN 0.549 nan 8.210 nan 0.000 0.509 435 K N 8.233 128.645 120.400 0.021 0.000 2.268 435 K HA 0.674 4.994 4.320 -0.000 0.000 0.276 435 K C -0.836 175.779 176.600 0.024 0.000 1.080 435 K CA -0.250 56.047 56.287 0.017 0.000 0.910 435 K CB 0.543 33.056 32.500 0.021 0.000 1.163 435 K HN 0.622 nan 8.250 nan 0.000 0.465 436 L N 2.884 124.109 121.223 0.004 0.000 2.377 436 L HA 0.457 4.797 4.340 -0.000 0.000 0.270 436 L C 0.678 177.543 176.870 -0.007 0.000 0.991 436 L CA -0.977 53.866 54.840 0.004 0.000 0.851 436 L CB 1.715 43.739 42.059 -0.057 0.000 1.218 436 L HN 0.882 nan 8.230 nan 0.000 0.420 437 E N 0.849 121.061 120.200 0.020 0.000 2.366 437 E HA 0.247 4.597 4.350 -0.000 0.000 0.266 437 E C 1.051 177.657 176.600 0.010 0.000 1.051 437 E CA 0.069 56.476 56.400 0.012 0.000 0.884 437 E CB 1.020 30.733 29.700 0.022 0.000 1.006 437 E HN 0.742 nan 8.360 nan 0.000 0.417 438 S N -0.031 115.664 115.700 -0.007 0.000 2.507 438 S HA -0.136 4.334 4.470 -0.000 0.000 0.235 438 S C 1.830 176.437 174.600 0.011 0.000 0.988 438 S CA 1.046 59.239 58.200 -0.013 0.000 0.944 438 S CB -0.281 62.902 63.200 -0.027 0.000 0.762 438 S HN 1.015 nan 8.310 nan 0.000 0.526 439 S N 1.091 116.803 115.700 0.020 0.000 2.607 439 S HA 0.046 4.516 4.470 -0.000 0.000 0.224 439 S C 1.486 176.114 174.600 0.047 0.000 0.969 439 S CA 0.003 58.218 58.200 0.025 0.000 0.927 439 S CB -0.447 62.764 63.200 0.018 0.000 0.772 439 S HN 0.659 nan 8.310 nan 0.000 0.533 440 Q N 0.244 120.092 119.800 0.081 0.000 2.408 440 Q HA 0.346 4.686 4.340 -0.000 0.000 0.205 440 Q C -0.101 176.012 176.000 0.189 0.000 0.919 440 Q CA 0.289 56.178 55.803 0.144 0.000 0.932 440 Q CB 0.190 29.078 28.738 0.250 0.000 1.058 440 Q HN 0.620 nan 8.270 nan 0.000 0.517 441 I N 2.724 123.371 120.570 0.129 0.000 2.291 441 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 441 I C -0.723 175.429 176.117 0.058 0.000 1.050 441 I CA -0.652 60.715 61.300 0.112 0.000 1.245 441 I CB 0.321 38.346 38.000 0.043 0.000 1.405 441 I HN 0.005 nan 8.210 nan 0.000 0.478 442 L N 3.144 124.400 121.223 0.055 0.000 2.654 442 L HA 0.673 5.013 4.340 -0.000 0.000 0.257 442 L C -0.511 176.372 176.870 0.022 0.000 1.093 442 L CA -0.710 54.147 54.840 0.028 0.000 0.903 442 L CB 1.552 43.622 42.059 0.019 0.000 1.520 442 L HN 0.219 nan 8.230 nan 0.000 0.402 443 S N -0.641 115.066 115.700 0.013 0.000 2.578 443 S HA 0.678 5.148 4.470 -0.000 0.000 0.283 443 S C 0.386 174.987 174.600 0.002 0.000 1.195 443 S CA -0.534 57.671 58.200 0.009 0.000 1.050 443 S CB 0.600 63.805 63.200 0.008 0.000 1.012 443 S HN 0.661 nan 8.310 nan 0.000 0.511 444 I N 1.784 122.354 120.570 -0.001 0.000 4.018 444 I HA 0.156 4.326 4.170 -0.000 0.000 0.337 444 I C 0.384 176.497 176.117 -0.005 0.000 1.327 444 I CA 0.039 61.335 61.300 -0.007 0.000 1.100 444 I CB 0.271 38.263 38.000 -0.014 0.000 1.025 444 I HN 0.603 nan 8.210 nan 0.000 0.396 445 D N 2.100 122.499 120.400 -0.001 0.000 2.343 445 D HA 0.051 4.691 4.640 -0.000 0.000 0.255 445 D C -1.659 174.640 176.300 -0.001 0.000 1.187 445 D CA -1.575 52.424 54.000 -0.001 0.000 0.875 445 D CB 1.889 42.690 40.800 0.002 0.000 1.136 445 D HN -0.058 nan 8.370 nan 0.000 0.469 446 P HA -0.232 nan 4.420 nan 0.000 0.219 446 P C 1.624 178.924 177.300 -0.001 0.000 1.161 446 P CA 0.825 63.923 63.100 -0.003 0.000 0.909 446 P CB 0.102 31.800 31.700 -0.003 0.000 0.793 447 L N -0.159 121.064 121.223 -0.000 0.000 2.012 447 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 447 L C 1.664 178.534 176.870 0.001 0.000 1.073 447 L CA 2.134 56.974 54.840 0.000 0.000 0.748 447 L CB -1.453 40.606 42.059 0.001 0.000 0.891 447 L HN -0.096 nan 8.230 nan 0.000 0.431 448 D N -0.301 120.100 120.400 0.001 0.000 2.144 448 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 448 D C 2.363 178.663 176.300 0.001 0.000 0.984 448 D CA 1.831 55.832 54.000 0.001 0.000 0.834 448 D CB -0.094 40.708 40.800 0.003 0.000 0.955 448 D HN 0.478 nan 8.370 nan 0.000 0.465 449 I N 1.390 121.960 120.570 -0.000 0.000 2.226 449 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 449 I C 2.589 178.705 176.117 -0.001 0.000 1.100 449 I CA 1.181 62.481 61.300 -0.001 0.000 1.374 449 I CB -0.352 37.647 38.000 -0.003 0.000 1.057 449 I HN 0.012 nan 8.210 nan 0.000 0.413 450 S N 0.636 116.335 115.700 -0.001 0.000 2.399 450 S HA -0.233 4.237 4.470 -0.000 0.000 0.231 450 S C 1.869 176.469 174.600 -0.000 0.000 1.022 450 S CA 0.980 59.180 58.200 -0.001 0.000 0.983 450 S CB -0.498 62.702 63.200 -0.001 0.000 0.803 450 S HN 0.524 nan 8.310 nan 0.000 0.480 451 Q N 1.141 120.941 119.800 0.000 0.000 2.119 451 Q HA 0.001 4.341 4.340 -0.000 0.000 0.201 451 Q C 1.903 177.903 176.000 -0.000 0.000 0.972 451 Q CA 1.230 57.033 55.803 0.000 0.000 0.847 451 Q CB -0.320 28.419 28.738 0.001 0.000 0.903 451 Q HN 0.550 nan 8.270 nan 0.000 0.433 452 N N 0.946 119.646 118.700 -0.000 0.000 2.188 452 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 452 N C 1.738 177.247 175.510 -0.001 0.000 1.018 452 N CA 0.703 53.753 53.050 -0.000 0.000 0.858 452 N CB -0.179 38.308 38.487 0.000 0.000 0.989 452 N HN 0.141 nan 8.380 nan 0.000 0.426 453 L N 0.984 122.206 121.223 -0.001 0.000 2.191 453 L HA 0.031 4.371 4.340 -0.000 0.000 0.212 453 L C 1.907 178.776 176.870 -0.000 0.000 1.103 453 L CA 1.168 56.008 54.840 -0.001 0.000 0.769 453 L CB -0.485 41.574 42.059 -0.001 0.000 0.908 453 L HN 0.086 nan 8.230 nan 0.000 0.438 454 A N -0.885 121.935 122.820 -0.000 0.000 2.016 454 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 454 A C 2.385 179.969 177.584 -0.000 0.000 1.162 454 A CA 1.112 53.149 52.037 0.000 0.000 0.662 454 A CB -0.737 18.263 19.000 0.000 0.000 0.812 454 A HN 0.512 nan 8.150 nan 0.000 0.450 455 A N -0.580 122.240 122.820 -0.001 0.000 1.898 455 A HA 0.097 4.417 4.320 -0.000 0.000 0.214 455 A C 2.135 179.718 177.584 -0.002 0.000 1.183 455 A CA 1.438 53.474 52.037 -0.002 0.000 0.622 455 A CB -0.812 18.187 19.000 -0.002 0.000 0.824 455 A HN 0.302 nan 8.150 nan 0.000 0.444 456 V N 1.098 121.012 119.914 -0.001 0.000 2.392 456 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 456 V C 2.435 178.529 176.094 -0.000 0.000 1.059 456 V CA 2.370 64.669 62.300 -0.001 0.000 1.051 456 V CB -1.045 30.777 31.823 -0.001 0.000 0.658 456 V HN 0.768 nan 8.190 nan 0.000 0.455 457 N N 0.396 119.096 118.700 0.000 0.000 2.142 457 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 457 N C 1.874 177.385 175.510 0.002 0.000 1.023 457 N CA 1.652 54.703 53.050 0.001 0.000 0.852 457 N CB -0.258 38.229 38.487 0.001 0.000 0.998 457 N HN 0.428 nan 8.380 nan 0.000 0.424 458 K N -0.273 120.128 120.400 0.001 0.000 2.097 458 K HA -0.043 4.277 4.320 -0.000 0.000 0.206 458 K C 1.792 178.393 176.600 0.000 0.000 1.049 458 K CA 1.373 57.660 56.287 0.001 0.000 0.933 458 K CB -0.092 32.407 32.500 -0.000 0.000 0.717 458 K HN 0.136 nan 8.250 nan 0.000 0.442 459 S N 1.403 117.102 115.700 -0.002 0.000 2.345 459 S HA -0.145 4.325 4.470 -0.000 0.000 0.220 459 S C 1.746 176.347 174.600 0.002 0.000 1.031 459 S CA 1.109 59.306 58.200 -0.004 0.000 0.996 459 S CB -0.343 62.853 63.200 -0.007 0.000 0.882 459 S HN 0.314 nan 8.310 nan 0.000 0.445 460 L N 1.813 123.038 121.223 0.003 0.000 2.129 460 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 460 L C 2.303 179.180 176.870 0.011 0.000 1.087 460 L CA 1.833 56.678 54.840 0.007 0.000 0.757 460 L CB -0.928 41.134 42.059 0.006 0.000 0.896 460 L HN 0.279 nan 8.230 nan 0.000 0.434 461 S N -1.080 114.626 115.700 0.010 0.000 2.368 461 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 461 S C 1.711 176.323 174.600 0.019 0.000 1.029 461 S CA 1.367 59.574 58.200 0.012 0.000 0.988 461 S CB -0.371 62.834 63.200 0.009 0.000 0.838 461 S HN 0.612 nan 8.310 nan 0.000 0.462 462 D N 1.375 121.785 120.400 0.016 0.000 2.117 462 D HA 0.023 4.663 4.640 -0.000 0.000 0.198 462 D C 2.258 178.588 176.300 0.050 0.000 0.982 462 D CA 1.219 55.233 54.000 0.024 0.000 0.828 462 D CB -0.613 40.189 40.800 0.003 0.000 0.967 462 D HN 0.480 nan 8.370 nan 0.000 0.464 463 A N 1.110 123.954 122.820 0.040 0.000 1.940 463 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 463 A C 2.398 180.031 177.584 0.081 0.000 1.176 463 A CA 0.984 53.063 52.037 0.070 0.000 0.631 463 A CB -0.790 18.234 19.000 0.040 0.000 0.814 463 A HN 0.206 nan 8.150 nan 0.000 0.446 464 L N -1.120 120.130 121.223 0.046 0.000 2.141 464 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 464 L C 2.897 179.784 176.870 0.027 0.000 1.094 464 L CA 1.671 56.528 54.840 0.028 0.000 0.763 464 L CB -0.440 41.630 42.059 0.018 0.000 0.908 464 L HN 0.622 nan 8.230 nan 0.000 0.437 465 Q N -0.340 119.486 119.800 0.043 0.000 2.049 465 Q HA -0.268 4.072 4.340 -0.000 0.000 0.198 465 Q C 2.186 178.213 176.000 0.046 0.000 0.971 465 Q CA 1.630 57.457 55.803 0.040 0.000 0.833 465 Q CB -0.038 28.728 28.738 0.045 0.000 0.896 465 Q HN 0.504 nan 8.270 nan 0.000 0.434 466 H N 0.118 119.177 119.070 -0.019 0.000 2.489 466 H HA -0.128 4.428 4.556 -0.000 0.000 0.293 466 H C 1.726 177.025 175.328 -0.048 0.000 1.066 466 H CA 1.444 57.471 56.048 -0.036 0.000 1.305 466 H CB 0.025 29.763 29.762 -0.040 0.000 1.386 466 H HN 0.297 nan 8.280 nan 0.000 0.551 467 L N -0.163 120.994 121.223 -0.110 0.000 2.131 467 L HA 0.164 4.504 4.340 -0.000 0.000 0.206 467 L C 2.439 179.234 176.870 -0.125 0.000 1.087 467 L CA 1.555 56.307 54.840 -0.147 0.000 0.767 467 L CB -1.015 41.017 42.059 -0.044 0.000 0.917 467 L HN 0.317 nan 8.230 nan 0.000 0.441 468 A N -0.797 121.982 122.820 -0.068 0.000 1.908 468 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 468 A C 2.187 179.747 177.584 -0.040 0.000 1.181 468 A CA 2.003 54.018 52.037 -0.036 0.000 0.627 468 A CB -0.575 18.420 19.000 -0.009 0.000 0.818 468 A HN 0.660 nan 8.150 nan 0.000 0.445 469 Q N -0.502 119.254 119.800 -0.073 0.000 2.046 469 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 469 Q C 2.058 177.995 176.000 -0.104 0.000 0.975 469 Q CA 1.575 57.354 55.803 -0.040 0.000 0.836 469 Q CB -0.232 28.469 28.738 -0.062 0.000 0.896 469 Q HN 0.573 nan 8.270 nan 0.000 0.428 470 S N 0.844 116.351 115.700 -0.321 0.000 2.653 470 S HA -0.097 4.373 4.470 -0.000 0.000 0.233 470 S C 0.631 175.158 174.600 -0.122 0.000 0.970 470 S CA 0.829 58.822 58.200 -0.345 0.000 0.947 470 S CB -0.082 62.859 63.200 -0.431 0.000 0.771 470 S HN 0.289 nan 8.310 nan 0.000 0.538 471 D N 0.062 120.433 120.400 -0.049 0.000 2.388 471 D HA 0.085 4.725 4.640 -0.000 0.000 0.208 471 D C 1.806 178.135 176.300 0.048 0.000 1.035 471 D CA 0.613 54.610 54.000 -0.005 0.000 0.875 471 D CB 0.226 41.016 40.800 -0.016 0.000 0.984 471 D HN 0.152 nan 8.370 nan 0.000 0.508 472 T N -0.504 114.110 114.554 0.100 0.000 2.770 472 T HA -0.103 4.247 4.350 -0.000 0.000 0.263 472 T C 1.293 176.094 174.700 0.167 0.000 1.039 472 T CA 0.899 63.074 62.100 0.125 0.000 1.142 472 T CB -0.335 68.621 68.868 0.147 0.000 0.868 472 T HN 0.127 nan 8.240 nan 0.000 0.435 473 Y N 1.372 121.653 120.300 -0.033 0.000 2.097 473 Y HA -0.046 4.504 4.550 -0.000 0.000 0.282 473 Y C 2.299 178.186 175.900 -0.022 0.000 1.152 473 Y CA 0.107 58.193 58.100 -0.025 0.000 1.136 473 Y CB -1.239 37.205 38.460 -0.028 0.000 0.975 473 Y HN 0.067 nan 8.280 nan 0.000 0.498 474 L N 0.175 121.495 121.223 0.162 0.000 2.137 474 L HA -0.277 4.063 4.340 -0.000 0.000 0.213 474 L C 2.432 179.330 176.870 0.047 0.000 1.085 474 L CA 2.330 57.215 54.840 0.074 0.000 0.760 474 L CB -1.023 41.057 42.059 0.036 0.000 0.893 474 L HN 0.362 nan 8.230 nan 0.000 0.434 475 S N -1.272 114.454 115.700 0.043 0.000 2.377 475 S HA 0.017 4.487 4.470 -0.000 0.000 0.223 475 S C 2.133 176.738 174.600 0.008 0.000 1.030 475 S CA 0.543 58.754 58.200 0.019 0.000 0.970 475 S CB -0.881 62.327 63.200 0.014 0.000 0.830 475 S HN 0.469 nan 8.310 nan 0.000 0.473 476 A N 2.215 125.036 122.820 0.002 0.000 1.933 476 A HA 0.078 4.398 4.320 -0.000 0.000 0.218 476 A C 2.240 179.814 177.584 -0.015 0.000 1.175 476 A CA 1.405 53.426 52.037 -0.026 0.000 0.628 476 A CB -0.741 18.212 19.000 -0.078 0.000 0.814 476 A HN 0.529 nan 8.150 nan 0.000 0.444 477 I N 0.029 120.603 120.570 0.008 0.000 2.202 477 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 477 I C 2.937 179.059 176.117 0.008 0.000 1.091 477 I CA 1.832 63.141 61.300 0.014 0.000 1.368 477 I CB -1.697 36.326 38.000 0.038 0.000 1.058 477 I HN 0.585 nan 8.210 nan 0.000 0.410 478 E N 0.445 120.650 120.200 0.009 0.000 2.268 478 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 478 E C 1.797 178.394 176.600 -0.004 0.000 0.995 478 E CA 1.429 57.831 56.400 0.002 0.000 0.836 478 E CB -0.636 29.066 29.700 0.003 0.000 0.763 478 E HN 0.490 nan 8.360 nan 0.000 0.491 479 D N -0.331 120.066 120.400 -0.006 0.000 2.110 479 D HA -0.061 4.579 4.640 -0.000 0.000 0.202 479 D C 2.545 178.840 176.300 -0.010 0.000 0.975 479 D CA 2.130 56.123 54.000 -0.010 0.000 0.839 479 D CB -0.068 40.724 40.800 -0.014 0.000 0.996 479 D HN 0.484 nan 8.370 nan 0.000 0.464 480 K N 1.213 121.607 120.400 -0.010 0.000 2.280 480 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 480 K C 1.972 178.569 176.600 -0.004 0.000 1.047 480 K CA 0.702 56.985 56.287 -0.007 0.000 0.942 480 K CB -0.677 31.818 32.500 -0.009 0.000 0.739 480 K HN 0.120 nan 8.250 nan 0.000 0.457 481 I N 1.395 121.962 120.570 -0.004 0.000 2.163 481 I HA -0.163 4.007 4.170 -0.000 0.000 0.240 481 I C 3.127 179.238 176.117 -0.009 0.000 1.081 481 I CA 1.821 63.119 61.300 -0.004 0.000 1.353 481 I CB -1.334 36.664 38.000 -0.003 0.000 1.054 481 I HN 0.614 nan 8.210 nan 0.000 0.407 482 E N 1.229 121.421 120.200 -0.014 0.000 2.114 482 E HA -0.283 4.067 4.350 -0.000 0.000 0.199 482 E C 1.974 178.560 176.600 -0.023 0.000 1.008 482 E CA 1.949 58.336 56.400 -0.022 0.000 0.810 482 E CB -0.982 28.705 29.700 -0.023 0.000 0.739 482 E HN 0.680 nan 8.360 nan 0.000 0.456 483 E N -0.404 119.789 120.200 -0.013 0.000 2.031 483 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 483 E C 2.301 178.900 176.600 -0.002 0.000 0.994 483 E CA 1.075 57.472 56.400 -0.005 0.000 0.800 483 E CB -0.221 29.480 29.700 0.003 0.000 0.752 483 E HN 0.468 nan 8.360 nan 0.000 0.447 484 I N 1.325 121.895 120.570 0.001 0.000 2.087 484 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 484 I C 2.502 178.620 176.117 0.001 0.000 1.054 484 I CA 1.514 62.818 61.300 0.006 0.000 1.311 484 I CB -1.236 36.768 38.000 0.006 0.000 1.024 484 I HN 0.199 nan 8.210 nan 0.000 0.402 485 L N -0.052 121.166 121.223 -0.009 0.000 2.450 485 L HA -0.218 4.122 4.340 -0.000 0.000 0.225 485 L C 2.573 179.423 176.870 -0.032 0.000 1.145 485 L CA 0.969 55.800 54.840 -0.016 0.000 0.801 485 L CB -0.441 41.602 42.059 -0.026 0.000 0.924 485 L HN 0.271 nan 8.230 nan 0.000 0.447 486 S N -0.392 115.283 115.700 -0.043 0.000 2.427 486 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 486 S C 2.378 176.924 174.600 -0.090 0.000 1.047 486 S CA 1.030 59.178 58.200 -0.086 0.000 0.953 486 S CB 0.144 63.297 63.200 -0.079 0.000 0.824 486 S HN 0.379 nan 8.310 nan 0.000 0.502 487 K N 1.568 121.959 120.400 -0.016 0.000 2.209 487 K HA 0.121 4.441 4.320 -0.000 0.000 0.204 487 K C 1.590 178.214 176.600 0.039 0.000 1.048 487 K CA 1.437 57.751 56.287 0.045 0.000 0.940 487 K CB -1.009 31.536 32.500 0.074 0.000 0.729 487 K HN 0.510 nan 8.250 nan 0.000 0.451 488 I N 0.209 120.797 120.570 0.030 0.000 3.334 488 I HA -0.061 4.109 4.170 -0.000 0.000 0.282 488 I C 1.988 178.147 176.117 0.070 0.000 1.313 488 I CA 0.704 62.029 61.300 0.042 0.000 1.396 488 I CB -1.145 36.876 38.000 0.035 0.000 1.054 488 I HN 0.431 nan 8.210 nan 0.000 0.495 489 Y N 1.902 122.122 120.300 -0.134 0.000 2.163 489 Y HA -0.125 4.425 4.550 -0.000 0.000 0.288 489 Y C 2.836 178.678 175.900 -0.096 0.000 1.112 489 Y CA 1.502 59.508 58.100 -0.157 0.000 1.104 489 Y CB -0.432 37.862 38.460 -0.277 0.000 1.016 489 Y HN 0.176 nan 8.280 nan 0.000 0.497 490 H N 0.414 119.491 119.070 0.012 0.000 2.252 490 H HA -0.221 4.335 4.556 -0.000 0.000 0.292 490 H C 2.520 177.796 175.328 -0.087 0.000 1.082 490 H CA 2.262 58.260 56.048 -0.082 0.000 1.229 490 H CB -1.038 28.724 29.762 0.001 0.000 1.353 490 H HN 0.372 nan 8.280 nan 0.000 0.488 491 I N 0.653 121.285 120.570 0.104 0.000 2.381 491 I HA -0.267 3.903 4.170 -0.000 0.000 0.255 491 I C 2.446 178.562 176.117 -0.002 0.000 1.140 491 I CA 1.397 62.722 61.300 0.043 0.000 1.404 491 I CB -0.261 37.765 38.000 0.044 0.000 1.075 491 I HN 0.317 nan 8.210 nan 0.000 0.433 492 E N 0.499 120.681 120.200 -0.031 0.000 2.230 492 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 492 E C 1.858 178.404 176.600 -0.091 0.000 0.987 492 E CA 0.412 56.783 56.400 -0.050 0.000 0.841 492 E CB 0.235 29.915 29.700 -0.034 0.000 0.783 492 E HN 0.443 nan 8.360 nan 0.000 0.481 493 N N 0.749 119.357 118.700 -0.153 0.000 2.207 493 N HA -0.106 4.634 4.740 -0.000 0.000 0.182 493 N C 1.479 176.940 175.510 -0.082 0.000 1.020 493 N CA 0.759 53.714 53.050 -0.159 0.000 0.858 493 N CB 0.006 38.345 38.487 -0.246 0.000 0.991 493 N HN 0.231 nan 8.380 nan 0.000 0.427 494 E N 0.990 121.158 120.200 -0.054 0.000 2.051 494 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 494 E C 1.757 178.341 176.600 -0.028 0.000 0.991 494 E CA 0.722 57.103 56.400 -0.033 0.000 0.799 494 E CB -0.075 29.614 29.700 -0.018 0.000 0.748 494 E HN 0.250 nan 8.360 nan 0.000 0.449 495 I N 0.769 121.324 120.570 -0.024 0.000 2.700 495 I HA -0.172 3.998 4.170 -0.000 0.000 0.261 495 I C 2.094 178.198 176.117 -0.021 0.000 1.219 495 I CA 0.787 62.076 61.300 -0.018 0.000 1.463 495 I CB -1.276 36.716 38.000 -0.013 0.000 1.092 495 I HN -0.034 nan 8.210 nan 0.000 0.452 496 A N 0.263 123.065 122.820 -0.030 0.000 2.197 496 A HA 0.007 4.327 4.320 -0.000 0.000 0.210 496 A C 2.474 180.043 177.584 -0.026 0.000 1.180 496 A CA 0.141 52.161 52.037 -0.027 0.000 0.846 496 A CB -0.118 18.861 19.000 -0.036 0.000 0.884 496 A HN 0.322 nan 8.150 nan 0.000 0.487 497 R N 0.138 120.620 120.500 -0.029 0.000 2.048 497 R HA 0.144 4.484 4.340 -0.000 0.000 0.224 497 R C 1.510 177.800 176.300 -0.018 0.000 1.163 497 R CA 1.190 57.275 56.100 -0.024 0.000 0.956 497 R CB -0.394 29.889 30.300 -0.028 0.000 0.849 497 R HN 0.365 nan 8.270 nan 0.000 0.435 498 I N 1.601 122.161 120.570 -0.017 0.000 2.800 498 I HA -0.215 3.955 4.170 -0.000 0.000 0.266 498 I C 2.348 178.459 176.117 -0.011 0.000 1.249 498 I CA 1.113 62.405 61.300 -0.013 0.000 1.458 498 I CB -0.118 37.874 38.000 -0.012 0.000 1.093 498 I HN 0.318 nan 8.210 nan 0.000 0.466 499 K N 1.328 121.720 120.400 -0.012 0.000 2.361 499 K HA -0.064 4.256 4.320 -0.000 0.000 0.196 499 K C 2.199 178.794 176.600 -0.009 0.000 1.039 499 K CA 0.987 57.268 56.287 -0.010 0.000 1.001 499 K CB 0.204 32.698 32.500 -0.010 0.000 0.795 499 K HN 0.234 nan 8.250 nan 0.000 0.495 500 K N 0.298 120.692 120.400 -0.010 0.000 2.306 500 K HA 0.094 4.414 4.320 -0.000 0.000 0.200 500 K C 1.370 177.966 176.600 -0.008 0.000 1.083 500 K CA 0.420 56.702 56.287 -0.008 0.000 0.959 500 K CB -0.568 31.927 32.500 -0.009 0.000 0.994 500 K HN 0.120 nan 8.250 nan 0.000 0.492 501 L N 0.868 122.086 121.223 -0.009 0.000 2.749 501 L HA 0.191 4.531 4.340 -0.000 0.000 0.245 501 L C 0.682 177.548 176.870 -0.007 0.000 1.156 501 L CA 0.927 55.762 54.840 -0.008 0.000 0.890 501 L CB -0.067 41.986 42.059 -0.010 0.000 1.036 501 L HN 0.399 nan 8.230 nan 0.000 0.441 502 I N -1.883 118.683 120.570 -0.006 0.000 4.983 502 I HA 0.339 4.509 4.170 -0.000 0.000 0.346 502 I C 1.237 177.351 176.117 -0.005 0.000 1.261 502 I CA 0.740 62.036 61.300 -0.005 0.000 1.406 502 I CB -0.837 37.159 38.000 -0.006 0.000 1.529 502 I HN 0.162 nan 8.210 nan 0.000 0.524 503 G N 0.000 108.797 108.800 -0.005 0.000 5.446 503 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 503 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 503 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 503 G HN 0.000 nan 8.290 nan 0.000 0.925