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 2bo9_1_C DATA FIRST_RESID 3 DATA SEQUENCE SSNNFNYGAY HSLEAIYHEM DNIAADFPDL ARRVKIGHSF ENRPMYVLKF DATA SEQUENCE STKGVRRPAV WLNAGIHSRE WISQATAIWT ARKIVSDYQR DPAITSILEK DATA SEQUENCE MDIFLLPVAN PDGYVYTQTQ NRLWRKTRSR NPGSScIGAD PNRNWNASFA DATA SEQUENCE GKGASDNPcS EVYHGPHANS EVEVKSVVDF IQKHGNFKGF IDLHSYSQLL DATA SEQUENCE MYPYGYSVKK APDAEELDKV ARLAAKALAS VSGTEYQVGP TCTTVYPASG DATA SEQUENCE SSIDWAYDNG IKFAFTFELR DTGTYGFLLP ANQIIPTAEE TWLGLKTIME DATA SEQUENCE HVRDNL 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.626 174.600 0.043 0.000 1.055 3 S CA 0.000 58.210 58.200 0.017 0.000 1.107 3 S CB 0.000 63.207 63.200 0.011 0.000 0.593 4 S N 1.283 117.024 115.700 0.069 0.000 2.549 4 S HA 0.631 5.101 4.470 -0.000 0.000 0.280 4 S C -0.554 174.100 174.600 0.091 0.000 1.109 4 S CA -0.476 57.779 58.200 0.090 0.000 0.905 4 S CB 1.029 64.299 63.200 0.116 0.000 1.081 4 S HN 0.859 nan 8.310 nan 0.000 0.477 5 N N 1.822 120.568 118.700 0.077 0.000 2.282 5 N HA 0.154 4.894 4.740 -0.000 0.000 0.240 5 N C -0.240 175.313 175.510 0.072 0.000 1.182 5 N CA -0.383 52.711 53.050 0.073 0.000 0.874 5 N CB -0.261 38.256 38.487 0.050 0.000 1.126 5 N HN 0.563 nan 8.380 nan 0.000 0.516 6 N N -0.861 117.891 118.700 0.087 0.000 2.305 6 N HA 0.152 4.891 4.740 -0.000 0.000 0.248 6 N C -1.380 174.185 175.510 0.092 0.000 1.290 6 N CA -0.723 52.368 53.050 0.068 0.000 0.873 6 N CB -0.555 37.953 38.487 0.034 0.000 1.261 6 N HN 0.134 nan 8.380 nan 0.000 0.504 7 F N 1.456 121.372 119.950 -0.056 0.000 2.434 7 F HA 0.462 4.989 4.527 -0.000 0.000 0.367 7 F C -0.424 175.310 175.800 -0.111 0.000 1.093 7 F CA -1.097 56.787 58.000 -0.192 0.000 1.085 7 F CB 0.792 39.573 39.000 -0.365 0.000 1.322 7 F HN -0.078 nan 8.300 nan 0.000 0.452 8 N N 4.281 122.876 118.700 -0.175 0.000 2.408 8 N HA 0.037 4.777 4.740 -0.000 0.000 0.257 8 N C 0.289 175.764 175.510 -0.058 0.000 1.064 8 N CA 0.127 53.163 53.050 -0.023 0.000 0.952 8 N CB 0.447 38.911 38.487 -0.039 0.000 1.093 8 N HN 0.569 nan 8.380 nan 0.000 0.490 9 Y N 1.334 121.719 120.300 0.141 0.000 2.616 9 Y HA 0.121 4.671 4.550 -0.000 0.000 0.296 9 Y C 2.041 177.996 175.900 0.091 0.000 1.154 9 Y CA 0.728 58.962 58.100 0.223 0.000 1.325 9 Y CB 0.350 39.028 38.460 0.363 0.000 1.007 9 Y HN 0.694 nan 8.280 nan 0.000 0.542 10 G N -0.683 108.184 108.800 0.113 0.000 3.448 10 G HA2 0.485 4.444 3.960 -0.000 0.000 0.261 10 G HA3 0.485 4.444 3.960 -0.000 0.000 0.261 10 G C -0.072 174.721 174.900 -0.179 0.000 1.173 10 G CA 0.404 45.485 45.100 -0.031 0.000 0.835 10 G HN 0.269 nan 8.290 nan 0.000 0.534 11 A N -0.345 122.313 122.820 -0.269 0.000 2.469 11 A HA 0.759 5.079 4.320 -0.000 0.000 0.299 11 A C -1.432 175.789 177.584 -0.605 0.000 1.098 11 A CA -0.788 50.984 52.037 -0.442 0.000 0.737 11 A CB 1.320 20.042 19.000 -0.464 0.000 1.312 11 A HN 0.118 nan 8.150 nan 0.000 0.414 12 Y N 1.390 121.496 120.300 -0.323 0.000 2.309 12 Y HA 0.429 4.979 4.550 -0.000 0.000 0.327 12 Y C 0.966 176.503 175.900 -0.605 0.000 1.172 12 Y CA 0.578 58.491 58.100 -0.312 0.000 1.280 12 Y CB 0.753 39.111 38.460 -0.169 0.000 1.234 12 Y HN 0.574 nan 8.280 nan 0.000 0.512 13 H N -0.335 118.704 119.070 -0.051 0.000 2.731 13 H HA 0.350 4.906 4.556 -0.000 0.000 0.368 13 H C -0.339 174.966 175.328 -0.040 0.000 1.168 13 H CA -0.812 55.176 56.048 -0.100 0.000 1.181 13 H CB 2.035 31.726 29.762 -0.119 0.000 1.743 13 H HN 0.674 nan 8.280 nan 0.000 0.547 14 S N 0.614 116.368 115.700 0.091 0.000 2.600 14 S HA -0.002 4.468 4.470 -0.000 0.000 0.265 14 S C 1.467 176.150 174.600 0.140 0.000 1.325 14 S CA -0.604 57.614 58.200 0.029 0.000 1.002 14 S CB 0.876 64.073 63.200 -0.005 0.000 0.921 14 S HN 0.535 nan 8.310 nan 0.000 0.554 15 L N 1.046 122.331 121.223 0.104 0.000 2.013 15 L HA -0.126 4.213 4.340 -0.000 0.000 0.212 15 L C 2.686 179.401 176.870 -0.258 0.000 1.073 15 L CA 2.490 57.281 54.840 -0.081 0.000 0.753 15 L CB -1.014 40.975 42.059 -0.116 0.000 0.890 15 L HN 1.024 nan 8.230 nan 0.000 0.432 16 E N -0.843 119.303 120.200 -0.090 0.000 2.077 16 E HA -0.252 4.097 4.350 -0.000 0.000 0.193 16 E C 2.042 178.700 176.600 0.096 0.000 0.989 16 E CA 1.161 57.572 56.400 0.019 0.000 0.800 16 E CB -0.181 29.549 29.700 0.051 0.000 0.746 16 E HN 0.625 nan 8.360 nan 0.000 0.452 17 A N 0.973 123.852 122.820 0.099 0.000 1.930 17 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 17 A C 2.148 179.859 177.584 0.212 0.000 1.175 17 A CA 1.165 53.302 52.037 0.166 0.000 0.627 17 A CB -0.519 18.600 19.000 0.199 0.000 0.815 17 A HN 0.325 nan 8.150 nan 0.000 0.443 18 I N -1.777 118.903 120.570 0.183 0.000 2.202 18 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 18 I C 2.428 178.636 176.117 0.150 0.000 1.091 18 I CA 1.404 62.786 61.300 0.136 0.000 1.368 18 I CB -0.481 37.586 38.000 0.112 0.000 1.058 18 I HN 0.446 nan 8.210 nan 0.000 0.410 19 Y N -0.407 119.921 120.300 0.047 0.000 2.181 19 Y HA -0.334 4.216 4.550 -0.000 0.000 0.288 19 Y C 2.901 178.741 175.900 -0.099 0.000 1.146 19 Y CA 1.062 59.152 58.100 -0.017 0.000 1.164 19 Y CB -0.410 38.099 38.460 0.081 0.000 0.982 19 Y HN 0.301 nan 8.280 nan 0.000 0.515 20 H N 0.703 119.808 119.070 0.059 0.000 2.353 20 H HA -0.176 4.380 4.556 -0.000 0.000 0.300 20 H C 1.966 177.204 175.328 -0.151 0.000 1.090 20 H CA 1.881 57.902 56.048 -0.045 0.000 1.327 20 H CB 0.122 29.881 29.762 -0.005 0.000 1.383 20 H HN 0.327 nan 8.280 nan 0.000 0.508 21 E N 0.475 120.605 120.200 -0.117 0.000 2.106 21 E HA -0.114 4.235 4.350 -0.000 0.000 0.192 21 E C 2.590 179.007 176.600 -0.305 0.000 0.984 21 E CA 1.113 57.268 56.400 -0.409 0.000 0.806 21 E CB -0.218 28.760 29.700 -1.203 0.000 0.750 21 E HN 0.489 nan 8.360 nan 0.000 0.458 22 M N 0.204 119.671 119.600 -0.221 0.000 2.108 22 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 22 M C 1.807 177.964 176.300 -0.237 0.000 1.066 22 M CA 1.737 56.920 55.300 -0.194 0.000 1.107 22 M CB -0.291 32.210 32.600 -0.166 0.000 1.356 22 M HN 0.040 nan 8.290 nan 0.000 0.406 23 D N 0.278 120.505 120.400 -0.290 0.000 2.117 23 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 23 D C 1.650 177.795 176.300 -0.258 0.000 0.982 23 D CA 1.136 54.950 54.000 -0.310 0.000 0.828 23 D CB -0.304 40.268 40.800 -0.380 0.000 0.967 23 D HN 0.252 nan 8.370 nan 0.000 0.464 24 N N 0.161 118.699 118.700 -0.270 0.000 2.120 24 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 24 N C 1.906 177.369 175.510 -0.077 0.000 1.024 24 N CA 1.015 53.958 53.050 -0.179 0.000 0.852 24 N CB -0.316 38.082 38.487 -0.149 0.000 1.003 24 N HN 0.213 nan 8.380 nan 0.000 0.424 25 I N 0.202 120.731 120.570 -0.068 0.000 2.179 25 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 25 I C 2.263 178.430 176.117 0.083 0.000 1.088 25 I CA 1.271 62.597 61.300 0.044 0.000 1.357 25 I CB -0.411 37.575 38.000 -0.023 0.000 1.051 25 I HN 0.218 nan 8.210 nan 0.000 0.409 26 A N 0.483 123.268 122.820 -0.058 0.000 1.972 26 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 26 A C 2.481 180.029 177.584 -0.059 0.000 1.169 26 A CA 1.678 53.666 52.037 -0.081 0.000 0.635 26 A CB -0.698 18.198 19.000 -0.173 0.000 0.810 26 A HN 0.445 nan 8.150 nan 0.000 0.446 27 A N -0.288 122.481 122.820 -0.084 0.000 1.929 27 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 27 A C 1.663 179.176 177.584 -0.118 0.000 1.176 27 A CA 1.766 53.743 52.037 -0.101 0.000 0.628 27 A CB -0.342 18.586 19.000 -0.120 0.000 0.816 27 A HN 0.406 nan 8.150 nan 0.000 0.444 28 D N -1.656 118.670 120.400 -0.123 0.000 2.305 28 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 28 D C -0.282 175.629 176.300 -0.648 0.000 0.974 28 D CA 0.700 54.484 54.000 -0.360 0.000 0.871 28 D CB 0.007 40.561 40.800 -0.409 0.000 0.947 28 D HN 0.439 nan 8.370 nan 0.000 0.516 29 F N 0.336 120.248 119.950 -0.062 0.000 2.739 29 F HA 0.268 4.795 4.527 -0.000 0.000 0.345 29 F C -1.612 174.147 175.800 -0.067 0.000 1.373 29 F CA -1.601 56.370 58.000 -0.048 0.000 1.160 29 F CB 1.327 40.308 39.000 -0.032 0.000 1.137 29 F HN -0.134 nan 8.300 nan 0.000 0.524 30 P HA -0.083 nan 4.420 nan 0.000 0.233 30 P C 0.552 177.841 177.300 -0.019 0.000 1.167 30 P CA 1.128 64.214 63.100 -0.024 0.000 0.770 30 P CB 0.403 32.072 31.700 -0.052 0.000 0.837 31 D N -0.904 119.500 120.400 0.007 0.000 2.355 31 D HA 0.016 4.656 4.640 -0.000 0.000 0.218 31 D C 1.521 177.811 176.300 -0.018 0.000 1.004 31 D CA 0.389 54.390 54.000 0.002 0.000 0.880 31 D CB 0.175 40.991 40.800 0.026 0.000 0.911 31 D HN 0.193 nan 8.370 nan 0.000 0.528 32 L N -0.847 120.367 121.223 -0.015 0.000 2.694 32 L HA 0.422 4.762 4.340 -0.000 0.000 0.228 32 L C -0.047 176.766 176.870 -0.096 0.000 1.048 32 L CA 0.341 55.131 54.840 -0.084 0.000 0.887 32 L CB 0.429 42.431 42.059 -0.096 0.000 1.265 32 L HN -0.178 nan 8.230 nan 0.000 0.492 33 A N 0.316 123.078 122.820 -0.097 0.000 2.365 33 A HA 0.798 5.118 4.320 -0.000 0.000 0.318 33 A C -0.721 176.704 177.584 -0.266 0.000 1.091 33 A CA -0.544 51.314 52.037 -0.298 0.000 0.763 33 A CB 1.146 19.989 19.000 -0.262 0.000 1.248 33 A HN 0.191 nan 8.150 nan 0.000 0.442 34 R N 1.269 121.554 120.500 -0.357 0.000 2.604 34 R HA 0.454 4.794 4.340 -0.000 0.000 0.281 34 R C -0.871 175.267 176.300 -0.271 0.000 1.020 34 R CA -0.643 55.313 56.100 -0.240 0.000 0.899 34 R CB 1.587 31.795 30.300 -0.153 0.000 1.205 34 R HN 0.858 nan 8.270 nan 0.000 0.450 35 R N 3.254 123.618 120.500 -0.226 0.000 2.265 35 R HA 0.376 4.716 4.340 -0.000 0.000 0.314 35 R C -1.211 175.029 176.300 -0.100 0.000 1.053 35 R CA -0.282 55.685 56.100 -0.220 0.000 0.931 35 R CB 1.068 31.176 30.300 -0.320 0.000 1.024 35 R HN 0.308 nan 8.270 nan 0.000 0.457 36 V N 4.988 124.893 119.914 -0.015 0.000 2.588 36 V HA 0.256 4.375 4.120 -0.000 0.000 0.304 36 V C -0.319 175.861 176.094 0.145 0.000 1.042 36 V CA -0.906 61.447 62.300 0.089 0.000 0.877 36 V CB 1.763 33.669 31.823 0.139 0.000 0.996 36 V HN 0.697 nan 8.190 nan 0.000 0.425 37 K N 4.153 124.644 120.400 0.151 0.000 2.297 37 K HA 0.414 4.734 4.320 -0.000 0.000 0.286 37 K C 0.708 177.299 176.600 -0.015 0.000 1.053 37 K CA -0.287 55.986 56.287 -0.024 0.000 0.940 37 K CB 0.747 33.205 32.500 -0.071 0.000 1.019 37 K HN 0.814 nan 8.250 nan 0.000 0.475 38 I N 0.291 120.809 120.570 -0.086 0.000 4.139 38 I HA 0.411 4.581 4.170 -0.000 0.000 0.335 38 I C 0.513 176.637 176.117 0.012 0.000 1.327 38 I CA -0.356 60.960 61.300 0.028 0.000 1.112 38 I CB 0.801 38.782 38.000 -0.032 0.000 1.058 38 I HN 0.692 nan 8.210 nan 0.000 0.396 39 G N 0.108 108.839 108.800 -0.115 0.000 2.333 39 G HA2 0.355 4.314 3.960 -0.000 0.000 0.288 39 G HA3 0.355 4.314 3.960 -0.000 0.000 0.288 39 G C -1.989 172.749 174.900 -0.269 0.000 1.286 39 G CA -0.774 44.286 45.100 -0.067 0.000 0.865 39 G HN 0.323 nan 8.290 nan 0.000 0.506 40 H N -0.596 118.446 119.070 -0.047 0.000 2.851 40 H HA 0.716 5.272 4.556 -0.000 0.000 0.372 40 H C 0.662 175.989 175.328 -0.001 0.000 1.158 40 H CA 0.097 56.120 56.048 -0.042 0.000 1.159 40 H CB 2.005 31.741 29.762 -0.044 0.000 1.757 40 H HN 0.758 nan 8.280 nan 0.000 0.546 41 S N 0.890 116.672 115.700 0.137 0.000 2.641 41 S HA 0.026 4.496 4.470 -0.000 0.000 0.261 41 S C 1.223 175.920 174.600 0.161 0.000 1.257 41 S CA -0.517 57.772 58.200 0.149 0.000 0.983 41 S CB 0.439 63.739 63.200 0.166 0.000 0.990 41 S HN 0.626 nan 8.310 nan 0.000 0.572 42 F N 1.302 121.286 119.950 0.057 0.000 2.161 42 F HA -0.057 4.470 4.527 -0.000 0.000 0.300 42 F C 2.013 177.838 175.800 0.042 0.000 1.089 42 F CA 1.868 59.892 58.000 0.041 0.000 1.282 42 F CB -0.333 38.689 39.000 0.036 0.000 1.010 42 F HN 0.730 nan 8.300 nan 0.000 0.485 43 E N -0.008 120.268 120.200 0.127 0.000 2.403 43 E HA -0.044 4.306 4.350 -0.000 0.000 0.187 43 E C 0.206 176.817 176.600 0.018 0.000 1.073 43 E CA 0.278 56.702 56.400 0.040 0.000 0.888 43 E CB -0.262 29.525 29.700 0.145 0.000 1.035 43 E HN 0.372 nan 8.360 nan 0.000 0.471 44 N N 1.543 120.255 118.700 0.021 0.000 2.776 44 N HA -0.182 4.557 4.740 -0.000 0.000 0.250 44 N C -1.056 174.570 175.510 0.193 0.000 1.112 44 N CA 0.529 53.615 53.050 0.061 0.000 0.733 44 N CB -0.805 37.653 38.487 -0.049 0.000 1.097 44 N HN 0.164 nan 8.380 nan 0.000 0.558 45 R N 0.615 121.224 120.500 0.183 0.000 2.441 45 R HA 0.339 4.679 4.340 -0.000 0.000 0.284 45 R C -2.098 174.251 176.300 0.082 0.000 1.070 45 R CA -1.331 54.881 56.100 0.186 0.000 1.047 45 R CB 0.536 30.950 30.300 0.190 0.000 1.016 45 R HN 0.186 nan 8.270 nan 0.000 0.477 46 P HA 0.020 nan 4.420 nan 0.000 0.271 46 P C -0.735 176.205 177.300 -0.600 0.000 1.218 46 P CA 0.233 62.935 63.100 -0.662 0.000 0.780 46 P CB 0.766 31.981 31.700 -0.808 0.000 0.901 47 M N 2.834 122.039 119.600 -0.660 0.000 2.205 47 M HA 0.375 4.855 4.480 -0.000 0.000 0.344 47 M C -0.675 175.277 176.300 -0.580 0.000 1.085 47 M CA -0.405 54.649 55.300 -0.410 0.000 1.001 47 M CB 1.205 33.707 32.600 -0.164 0.000 1.626 47 M HN 0.313 nan 8.290 nan 0.000 0.442 48 Y N 1.781 121.917 120.300 -0.272 0.000 2.409 48 Y HA 0.649 5.199 4.550 -0.000 0.000 0.343 48 Y C -0.036 175.747 175.900 -0.196 0.000 0.973 48 Y CA -1.200 56.719 58.100 -0.301 0.000 1.064 48 Y CB 1.856 40.013 38.460 -0.506 0.000 1.207 48 Y HN 0.492 nan 8.280 nan 0.000 0.452 49 V N 1.322 121.225 119.914 -0.017 0.000 2.994 49 V HA 0.650 4.770 4.120 -0.000 0.000 0.318 49 V C -0.926 175.068 176.094 -0.166 0.000 1.085 49 V CA -1.210 61.016 62.300 -0.123 0.000 0.998 49 V CB 1.989 33.681 31.823 -0.217 0.000 1.063 49 V HN 0.681 nan 8.190 nan 0.000 0.447 50 L N 2.660 123.729 121.223 -0.255 0.000 2.282 50 L HA 0.556 4.896 4.340 -0.000 0.000 0.288 50 L C 0.135 176.611 176.870 -0.657 0.000 1.033 50 L CA -0.356 54.186 54.840 -0.498 0.000 0.807 50 L CB 1.488 43.164 42.059 -0.638 0.000 1.209 50 L HN 0.798 nan 8.230 nan 0.000 0.423 51 K N 3.916 123.904 120.400 -0.686 0.000 2.234 51 K HA 0.454 4.773 4.320 -0.000 0.000 0.277 51 K C -1.423 174.660 176.600 -0.862 0.000 1.038 51 K CA -0.418 55.386 56.287 -0.806 0.000 0.888 51 K CB 0.694 32.839 32.500 -0.591 0.000 1.091 51 K HN 0.252 nan 8.250 nan 0.000 0.467 52 F N 2.079 121.779 119.950 -0.416 0.000 2.427 52 F HA 0.395 4.922 4.527 -0.000 0.000 0.346 52 F C 0.379 175.999 175.800 -0.301 0.000 1.120 52 F CA -0.524 57.291 58.000 -0.310 0.000 1.033 52 F CB 2.109 40.951 39.000 -0.263 0.000 1.126 52 F HN 0.407 nan 8.300 nan 0.000 0.462 53 S N 0.896 116.528 115.700 -0.115 0.000 2.537 53 S HA 0.493 4.963 4.470 -0.000 0.000 0.271 53 S C -0.719 173.809 174.600 -0.120 0.000 1.148 53 S CA -0.713 57.420 58.200 -0.110 0.000 0.868 53 S CB 1.364 64.501 63.200 -0.105 0.000 1.115 53 S HN 0.717 nan 8.310 nan 0.000 0.461 54 T N 1.928 116.433 114.554 -0.082 0.000 3.355 54 T HA 0.615 4.965 4.350 -0.000 0.000 0.376 54 T C -0.303 174.397 174.700 -0.001 0.000 1.683 54 T CA -0.549 61.524 62.100 -0.045 0.000 1.269 54 T CB 0.071 68.940 68.868 0.002 0.000 1.158 54 T HN 0.421 nan 8.240 nan 0.000 0.703 55 K N 0.717 121.122 120.400 0.009 0.000 3.477 55 K HA 0.237 4.557 4.320 -0.000 0.000 0.127 55 K C 0.898 177.508 176.600 0.017 0.000 0.937 55 K CA 0.381 56.675 56.287 0.010 0.000 0.929 55 K CB 0.139 32.647 32.500 0.013 0.000 0.648 55 K HN 0.839 nan 8.250 nan 0.000 0.373 56 G N -0.004 108.811 108.800 0.025 0.000 2.234 56 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.235 56 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.235 56 G C 0.158 175.083 174.900 0.041 0.000 0.997 56 G CA 0.125 45.247 45.100 0.037 0.000 0.623 56 G HN 0.097 nan 8.290 nan 0.000 0.514 57 V N 2.298 122.232 119.914 0.034 0.000 2.637 57 V HA 0.318 4.438 4.120 -0.000 0.000 0.296 57 V C 1.434 177.551 176.094 0.037 0.000 1.046 57 V CA -0.184 62.132 62.300 0.027 0.000 1.066 57 V CB 1.332 33.168 31.823 0.022 0.000 0.968 57 V HN 0.525 nan 8.190 nan 0.000 0.483 58 R N 4.519 125.023 120.500 0.007 0.000 2.522 58 R HA 0.159 4.498 4.340 -0.000 0.000 0.284 58 R C -0.395 175.919 176.300 0.024 0.000 1.032 58 R CA -0.096 55.991 56.100 -0.022 0.000 1.049 58 R CB 0.257 30.462 30.300 -0.158 0.000 0.956 58 R HN 0.626 nan 8.270 nan 0.000 0.422 59 R N 4.424 124.991 120.500 0.110 0.000 2.854 59 R HA 0.469 4.809 4.340 -0.000 0.000 0.271 59 R C -2.496 173.907 176.300 0.172 0.000 0.994 59 R CA -2.583 53.588 56.100 0.118 0.000 0.945 59 R CB 1.166 31.535 30.300 0.114 0.000 1.194 59 R HN 0.562 nan 8.270 nan 0.000 0.476 60 P HA 0.153 nan 4.420 nan 0.000 0.267 60 P C -1.044 176.301 177.300 0.074 0.000 1.200 60 P CA 0.013 63.185 63.100 0.119 0.000 0.772 60 P CB 0.625 32.387 31.700 0.104 0.000 0.855 61 A N 2.192 124.978 122.820 -0.057 0.000 2.556 61 A HA 0.652 4.971 4.320 -0.000 0.000 0.294 61 A C -1.228 176.396 177.584 0.067 0.000 1.091 61 A CA -0.620 51.326 52.037 -0.151 0.000 0.704 61 A CB 1.500 20.053 19.000 -0.746 0.000 1.300 61 A HN 0.279 nan 8.150 nan 0.000 0.406 62 V N 1.502 121.600 119.914 0.307 0.000 2.555 62 V HA 0.439 4.558 4.120 -0.000 0.000 0.302 62 V C -0.751 175.774 176.094 0.718 0.000 1.038 62 V CA -0.589 62.018 62.300 0.513 0.000 0.887 62 V CB 1.802 33.826 31.823 0.335 0.000 0.991 62 V HN 0.851 nan 8.190 nan 0.000 0.434 63 W N 6.297 127.922 121.300 0.542 0.000 2.361 63 W HA 0.618 5.278 4.660 0.000 0.000 0.309 63 W C -1.625 174.888 176.519 -0.010 0.000 1.122 63 W CA -0.762 56.737 57.345 0.256 0.000 1.208 63 W CB 1.466 30.866 29.460 -0.099 0.000 1.246 63 W HN 0.420 nan 8.180 nan 0.000 0.490 64 L N 6.502 127.541 121.223 -0.307 0.000 2.294 64 L HA 0.218 4.558 4.340 -0.000 0.000 0.283 64 L C -0.258 176.413 176.870 -0.332 0.000 1.015 64 L CA -0.579 54.150 54.840 -0.186 0.000 0.831 64 L CB 1.269 43.290 42.059 -0.064 0.000 1.217 64 L HN 0.385 nan 8.230 nan 0.000 0.420 65 N N 2.324 120.958 118.700 -0.111 0.000 2.399 65 N HA 0.791 5.531 4.740 -0.000 0.000 0.295 65 N C -1.035 174.518 175.510 0.071 0.000 1.048 65 N CA -0.169 52.922 53.050 0.069 0.000 0.886 65 N CB 1.899 40.527 38.487 0.234 0.000 1.185 65 N HN 0.718 nan 8.380 nan 0.000 0.487 66 A N 0.830 123.689 122.820 0.065 0.000 2.556 66 A HA 0.682 5.002 4.320 -0.000 0.000 0.294 66 A C 0.427 178.030 177.584 0.032 0.000 1.091 66 A CA -0.272 51.790 52.037 0.042 0.000 0.704 66 A CB 0.797 19.826 19.000 0.048 0.000 1.300 66 A HN 1.073 nan 8.150 nan 0.000 0.406 67 G N 0.120 108.929 108.800 0.014 0.000 2.249 67 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.273 67 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.273 67 G C 0.749 175.685 174.900 0.060 0.000 1.036 67 G CA 0.599 45.726 45.100 0.046 0.000 0.824 67 G HN 1.233 nan 8.290 nan 0.000 0.504 68 I N -0.727 119.825 120.570 -0.029 0.000 2.493 68 I HA 0.001 4.171 4.170 -0.000 0.000 0.254 68 I C 1.078 177.199 176.117 0.007 0.000 1.160 68 I CA 0.856 62.150 61.300 -0.010 0.000 1.445 68 I CB 0.094 38.073 38.000 -0.035 0.000 1.086 68 I HN 0.447 nan 8.210 nan 0.000 0.433 69 H N -0.771 118.386 119.070 0.145 0.000 2.541 69 H HA 0.161 4.717 4.556 -0.000 0.000 0.316 69 H C 1.371 176.826 175.328 0.212 0.000 1.043 69 H CA -0.174 55.976 56.048 0.170 0.000 1.232 69 H CB 1.283 31.160 29.762 0.193 0.000 1.406 69 H HN 0.083 nan 8.280 nan 0.000 0.469 70 S N 3.486 119.416 115.700 0.384 0.000 2.402 70 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 70 S C 1.883 176.801 174.600 0.531 0.000 1.021 70 S CA 0.818 59.308 58.200 0.483 0.000 0.974 70 S CB -0.102 63.422 63.200 0.540 0.000 0.800 70 S HN 0.726 nan 8.310 nan 0.000 0.484 71 R N 1.696 122.351 120.500 0.258 0.000 2.316 71 R HA 0.137 4.477 4.340 -0.000 0.000 0.202 71 R C 0.172 176.543 176.300 0.118 0.000 1.029 71 R CA 0.776 56.884 56.100 0.014 0.000 1.018 71 R CB -0.569 29.481 30.300 -0.417 0.000 0.888 71 R HN 0.422 nan 8.270 nan 0.000 0.471 72 E N 0.973 121.388 120.200 0.358 0.000 2.261 72 E HA -0.012 4.338 4.350 -0.000 0.000 0.308 72 E C -0.246 176.674 176.600 0.533 0.000 1.400 72 E CA -0.524 56.167 56.400 0.484 0.000 1.542 72 E CB -0.010 29.980 29.700 0.483 0.000 1.369 72 E HN 0.335 nan 8.360 nan 0.000 0.493 73 W N 0.420 121.861 121.300 0.236 0.000 2.331 73 W HA -0.189 4.470 4.660 -0.000 0.000 0.291 73 W C 1.817 178.539 176.519 0.337 0.000 1.214 73 W CA 0.276 57.749 57.345 0.213 0.000 1.228 73 W CB -0.492 28.870 29.460 -0.163 0.000 1.135 73 W HN 0.419 nan 8.180 nan 0.000 0.537 74 I N 1.016 121.929 120.570 0.570 0.000 2.454 74 I HA -0.280 3.890 4.170 -0.000 0.000 0.254 74 I C 2.597 178.918 176.117 0.340 0.000 1.156 74 I CA 2.068 63.653 61.300 0.475 0.000 1.433 74 I CB -0.773 37.447 38.000 0.367 0.000 1.082 74 I HN -0.054 nan 8.210 nan 0.000 0.432 75 S N -0.212 115.679 115.700 0.318 0.000 2.355 75 S HA -0.233 4.237 4.470 -0.000 0.000 0.222 75 S C 1.914 176.616 174.600 0.170 0.000 1.031 75 S CA 1.109 59.442 58.200 0.221 0.000 0.993 75 S CB -0.695 62.621 63.200 0.193 0.000 0.859 75 S HN 0.543 nan 8.310 nan 0.000 0.453 76 Q N 1.801 121.693 119.800 0.153 0.000 2.119 76 Q HA 0.282 4.622 4.340 -0.000 0.000 0.201 76 Q C 2.496 178.582 176.000 0.143 0.000 0.972 76 Q CA 1.525 57.358 55.803 0.051 0.000 0.847 76 Q CB -0.798 27.821 28.738 -0.198 0.000 0.903 76 Q HN 0.742 nan 8.270 nan 0.000 0.433 77 A N -0.058 122.906 122.820 0.239 0.000 1.898 77 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 77 A C 2.223 179.959 177.584 0.253 0.000 1.181 77 A CA 1.815 54.010 52.037 0.264 0.000 0.620 77 A CB -0.898 18.260 19.000 0.264 0.000 0.819 77 A HN 0.352 nan 8.150 nan 0.000 0.442 78 T N 0.236 114.908 114.554 0.197 0.000 2.746 78 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 78 T C 2.220 177.048 174.700 0.213 0.000 1.039 78 T CA 1.531 63.724 62.100 0.155 0.000 1.142 78 T CB -0.406 68.517 68.868 0.091 0.000 0.866 78 T HN 0.589 nan 8.240 nan 0.000 0.444 79 A N 1.090 124.010 122.820 0.166 0.000 1.877 79 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 79 A C 2.239 179.912 177.584 0.150 0.000 1.186 79 A CA 1.296 53.409 52.037 0.127 0.000 0.620 79 A CB -0.731 18.318 19.000 0.081 0.000 0.822 79 A HN 0.432 nan 8.150 nan 0.000 0.443 80 I N -1.783 118.911 120.570 0.205 0.000 2.315 80 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 80 I C 2.050 178.374 176.117 0.346 0.000 1.117 80 I CA 0.979 62.416 61.300 0.228 0.000 1.404 80 I CB -0.422 37.717 38.000 0.232 0.000 1.071 80 I HN 0.617 nan 8.210 nan 0.000 0.419 81 W N 0.888 122.322 121.300 0.224 0.000 2.338 81 W HA -0.270 4.390 4.660 -0.000 0.000 0.304 81 W C 2.397 178.768 176.519 -0.247 0.000 1.212 81 W CA 2.377 59.745 57.345 0.039 0.000 1.264 81 W CB -0.470 29.017 29.460 0.044 0.000 1.142 81 W HN 0.018 nan 8.180 nan 0.000 0.512 82 T N 0.651 115.283 114.554 0.129 0.000 2.720 82 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 82 T C 1.932 176.296 174.700 -0.560 0.000 1.037 82 T CA 1.951 63.880 62.100 -0.285 0.000 1.144 82 T CB -0.915 67.917 68.868 -0.059 0.000 0.864 82 T HN 0.292 nan 8.240 nan 0.000 0.444 83 A N 1.794 124.447 122.820 -0.280 0.000 1.908 83 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 83 A C 2.264 179.607 177.584 -0.401 0.000 1.181 83 A CA 2.014 53.929 52.037 -0.204 0.000 0.627 83 A CB -0.529 18.520 19.000 0.082 0.000 0.818 83 A HN 0.325 nan 8.150 nan 0.000 0.445 84 R N 0.116 120.322 120.500 -0.490 0.000 2.092 84 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 84 R C 1.978 177.757 176.300 -0.868 0.000 1.119 84 R CA 2.104 57.813 56.100 -0.651 0.000 0.970 84 R CB -0.446 29.323 30.300 -0.884 0.000 0.864 84 R HN 0.382 nan 8.270 nan 0.000 0.440 85 K N 0.281 119.976 120.400 -1.175 0.000 2.097 85 K HA 0.025 4.344 4.320 -0.000 0.000 0.205 85 K C 1.864 177.922 176.600 -0.903 0.000 1.050 85 K CA 1.612 57.145 56.287 -1.257 0.000 0.938 85 K CB -0.316 31.039 32.500 -1.909 0.000 0.718 85 K HN 0.294 nan 8.250 nan 0.000 0.442 86 I N 0.453 120.478 120.570 -0.908 0.000 2.179 86 I HA -0.261 3.908 4.170 -0.000 0.000 0.242 86 I C 2.092 177.901 176.117 -0.513 0.000 1.088 86 I CA 1.387 62.275 61.300 -0.687 0.000 1.357 86 I CB -0.370 37.020 38.000 -1.017 0.000 1.051 86 I HN 0.083 nan 8.210 nan 0.000 0.409 87 V N -2.816 116.734 119.914 -0.606 0.000 2.626 87 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 87 V C 2.259 177.904 176.094 -0.749 0.000 1.067 87 V CA 1.862 63.713 62.300 -0.748 0.000 1.081 87 V CB -0.654 30.434 31.823 -1.224 0.000 0.686 87 V HN 0.276 nan 8.190 nan 0.000 0.468 88 S N 0.702 116.041 115.700 -0.602 0.000 2.406 88 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 88 S C 1.504 175.968 174.600 -0.227 0.000 1.020 88 S CA 1.605 59.573 58.200 -0.387 0.000 0.965 88 S CB -0.327 62.633 63.200 -0.400 0.000 0.798 88 S HN 0.692 nan 8.310 nan 0.000 0.488 89 D N -0.570 119.698 120.400 -0.220 0.000 2.379 89 D HA 0.159 4.798 4.640 -0.000 0.000 0.208 89 D C 0.003 176.286 176.300 -0.029 0.000 1.065 89 D CA -0.133 53.807 54.000 -0.099 0.000 0.848 89 D CB -0.039 40.726 40.800 -0.058 0.000 0.949 89 D HN 0.358 nan 8.370 nan 0.000 0.509 90 Y N 2.207 122.426 120.300 -0.135 0.000 2.620 90 Y HA -0.007 4.543 4.550 -0.000 0.000 0.330 90 Y C 1.030 176.907 175.900 -0.038 0.000 1.186 90 Y CA 0.442 58.495 58.100 -0.077 0.000 1.467 90 Y CB 0.173 38.582 38.460 -0.084 0.000 1.262 90 Y HN 0.030 nan 8.280 nan 0.000 0.550 91 Q N 2.751 122.105 119.800 -0.744 0.000 2.416 91 Q HA -0.325 4.015 4.340 -0.000 0.000 0.235 91 Q C 0.834 176.692 176.000 -0.236 0.000 0.773 91 Q CA 1.455 56.934 55.803 -0.540 0.000 1.286 91 Q CB -0.641 27.768 28.738 -0.549 0.000 1.556 91 Q HN 0.888 nan 8.270 nan 0.000 0.650 92 R N -0.413 119.991 120.500 -0.159 0.000 2.306 92 R HA 0.079 4.419 4.340 -0.000 0.000 0.183 92 R C 0.241 176.504 176.300 -0.063 0.000 0.937 92 R CA 0.243 56.290 56.100 -0.088 0.000 1.118 92 R CB 0.196 30.459 30.300 -0.062 0.000 1.224 92 R HN 0.050 nan 8.270 nan 0.000 0.597 93 D N 2.466 122.840 120.400 -0.043 0.000 2.295 93 D HA 0.109 4.748 4.640 -0.000 0.000 0.248 93 D C -1.885 174.397 176.300 -0.031 0.000 1.154 93 D CA -2.306 51.686 54.000 -0.013 0.000 0.857 93 D CB 1.719 42.545 40.800 0.043 0.000 1.117 93 D HN -0.167 nan 8.370 nan 0.000 0.468 94 P HA -0.093 nan 4.420 nan 0.000 0.218 94 P C 0.869 178.150 177.300 -0.032 0.000 1.149 94 P CA 1.283 64.358 63.100 -0.042 0.000 0.817 94 P CB 0.164 31.841 31.700 -0.038 0.000 0.785 95 A N -0.297 122.503 122.820 -0.033 0.000 1.835 95 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 95 A C 2.179 179.744 177.584 -0.032 0.000 1.199 95 A CA 1.651 53.656 52.037 -0.053 0.000 0.615 95 A CB -1.660 17.282 19.000 -0.097 0.000 0.838 95 A HN 0.142 nan 8.150 nan 0.000 0.444 96 I N -0.008 120.568 120.570 0.009 0.000 2.361 96 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 96 I C 2.299 178.493 176.117 0.128 0.000 1.133 96 I CA 2.154 63.501 61.300 0.078 0.000 1.413 96 I CB -0.524 37.608 38.000 0.219 0.000 1.073 96 I HN 0.331 nan 8.210 nan 0.000 0.424 97 T N -0.165 114.447 114.554 0.095 0.000 2.708 97 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 97 T C 2.086 176.852 174.700 0.110 0.000 1.037 97 T CA 1.804 63.968 62.100 0.106 0.000 1.146 97 T CB -0.543 68.259 68.868 -0.111 0.000 0.865 97 T HN 0.616 nan 8.240 nan 0.000 0.435 98 S N 1.442 117.165 115.700 0.039 0.000 2.382 98 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 98 S C 2.096 176.715 174.600 0.033 0.000 1.027 98 S CA 0.808 59.023 58.200 0.025 0.000 0.991 98 S CB -0.814 62.381 63.200 -0.007 0.000 0.823 98 S HN 0.480 nan 8.310 nan 0.000 0.469 99 I N 1.321 121.907 120.570 0.028 0.000 2.179 99 I HA -0.130 4.040 4.170 -0.000 0.000 0.242 99 I C 2.378 178.524 176.117 0.049 0.000 1.088 99 I CA 1.364 62.677 61.300 0.021 0.000 1.357 99 I CB -0.323 37.675 38.000 -0.003 0.000 1.051 99 I HN 0.275 nan 8.210 nan 0.000 0.409 100 L N 0.144 121.416 121.223 0.081 0.000 2.376 100 L HA -0.132 4.208 4.340 -0.000 0.000 0.219 100 L C 2.456 179.374 176.870 0.080 0.000 1.133 100 L CA 0.691 55.568 54.840 0.062 0.000 0.816 100 L CB -0.439 41.628 42.059 0.013 0.000 0.933 100 L HN 0.307 nan 8.230 nan 0.000 0.449 101 E N 0.317 120.586 120.200 0.115 0.000 2.153 101 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 101 E C 1.597 178.233 176.600 0.060 0.000 0.988 101 E CA 0.952 57.410 56.400 0.097 0.000 0.811 101 E CB 0.366 30.116 29.700 0.083 0.000 0.746 101 E HN 0.263 nan 8.360 nan 0.000 0.466 102 K N -0.478 119.952 120.400 0.050 0.000 2.365 102 K HA 0.184 4.504 4.320 -0.000 0.000 0.195 102 K C 0.971 177.600 176.600 0.049 0.000 1.079 102 K CA 0.315 56.627 56.287 0.042 0.000 0.979 102 K CB 0.769 33.288 32.500 0.031 0.000 0.929 102 K HN 0.281 nan 8.250 nan 0.000 0.523 103 M N -0.552 119.079 119.600 0.051 0.000 2.593 103 M HA 0.500 4.980 4.480 -0.000 0.000 0.290 103 M C -1.707 174.626 176.300 0.055 0.000 1.244 103 M CA -0.793 54.545 55.300 0.063 0.000 0.857 103 M CB 2.218 34.862 32.600 0.074 0.000 1.738 103 M HN -0.350 nan 8.290 nan 0.000 0.461 104 D N 1.991 122.433 120.400 0.070 0.000 2.253 104 D HA 0.647 5.287 4.640 -0.000 0.000 0.249 104 D C -0.807 175.530 176.300 0.062 0.000 1.049 104 D CA -0.003 54.009 54.000 0.020 0.000 0.929 104 D CB 1.791 42.606 40.800 0.026 0.000 1.176 104 D HN 0.580 nan 8.370 nan 0.000 0.437 105 I N 1.329 121.904 120.570 0.008 0.000 2.433 105 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 105 I C -0.714 175.396 176.117 -0.011 0.000 1.001 105 I CA -0.735 60.642 61.300 0.129 0.000 1.119 105 I CB 1.122 39.207 38.000 0.142 0.000 1.289 105 I HN 0.075 nan 8.210 nan 0.000 0.438 106 F N 6.699 126.715 119.950 0.110 0.000 2.449 106 F HA 0.510 5.037 4.527 -0.000 0.000 0.342 106 F C -0.412 175.121 175.800 -0.445 0.000 1.127 106 F CA -0.779 57.143 58.000 -0.131 0.000 0.975 106 F CB 1.745 40.717 39.000 -0.047 0.000 1.146 106 F HN 0.208 nan 8.300 nan 0.000 0.444 107 L N 5.621 126.704 121.223 -0.233 0.000 2.349 107 L HA 0.634 4.974 4.340 -0.000 0.000 0.278 107 L C -1.656 175.025 176.870 -0.316 0.000 0.996 107 L CA -0.801 53.891 54.840 -0.246 0.000 0.825 107 L CB 1.477 43.578 42.059 0.069 0.000 1.243 107 L HN 0.541 nan 8.230 nan 0.000 0.412 108 L N 8.599 129.603 121.223 -0.365 0.000 2.335 108 L HA 0.626 4.966 4.340 -0.000 0.000 0.268 108 L C -2.094 174.760 176.870 -0.027 0.000 1.037 108 L CA -1.758 52.989 54.840 -0.156 0.000 0.895 108 L CB 1.139 43.176 42.059 -0.037 0.000 1.266 108 L HN 0.460 nan 8.230 nan 0.000 0.439 109 P HA -0.050 nan 4.420 nan 0.000 0.219 109 P C -0.314 176.996 177.300 0.016 0.000 1.150 109 P CA 0.940 64.059 63.100 0.032 0.000 0.814 109 P CB 0.233 31.967 31.700 0.057 0.000 0.787 110 V N -0.706 119.244 119.914 0.059 0.000 2.380 110 V HA 0.415 4.535 4.120 -0.000 0.000 0.268 110 V C 1.011 177.173 176.094 0.112 0.000 1.008 110 V CA -0.395 61.920 62.300 0.025 0.000 0.823 110 V CB 0.450 32.255 31.823 -0.031 0.000 1.053 110 V HN -0.040 nan 8.190 nan 0.000 0.446 111 A N 3.052 125.942 122.820 0.116 0.000 2.168 111 A HA 0.030 4.350 4.320 -0.000 0.000 0.215 111 A C 1.151 178.830 177.584 0.158 0.000 1.152 111 A CA 1.187 53.322 52.037 0.164 0.000 0.716 111 A CB -0.174 18.950 19.000 0.207 0.000 0.794 111 A HN 0.660 nan 8.150 nan 0.000 0.465 112 N N -0.753 118.044 118.700 0.161 0.000 2.790 112 N HA 0.223 4.963 4.740 -0.000 0.000 0.256 112 N C -2.372 173.275 175.510 0.227 0.000 1.409 112 N CA -1.992 51.175 53.050 0.195 0.000 0.799 112 N CB 1.202 39.821 38.487 0.221 0.000 1.170 112 N HN -0.050 nan 8.380 nan 0.000 0.507 113 P HA -0.030 nan 4.420 nan 0.000 0.217 113 P C 0.411 177.855 177.300 0.240 0.000 1.151 113 P CA 1.016 64.250 63.100 0.223 0.000 0.828 113 P CB 0.647 32.483 31.700 0.227 0.000 0.788 114 D N 0.079 120.612 120.400 0.221 0.000 2.117 114 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 114 D C 2.369 178.804 176.300 0.225 0.000 0.982 114 D CA 1.693 55.813 54.000 0.200 0.000 0.828 114 D CB -1.194 39.716 40.800 0.183 0.000 0.967 114 D HN 0.176 nan 8.370 nan 0.000 0.464 115 G N -0.327 108.651 108.800 0.296 0.000 2.422 115 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 115 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 115 G C 1.593 176.765 174.900 0.455 0.000 1.146 115 G CA 0.534 45.891 45.100 0.428 0.000 0.769 115 G HN 0.246 nan 8.290 nan 0.000 0.547 116 Y N 1.212 121.662 120.300 0.250 0.000 2.163 116 Y HA -0.093 4.457 4.550 -0.000 0.000 0.288 116 Y C 2.897 178.894 175.900 0.161 0.000 1.136 116 Y CA 1.218 59.441 58.100 0.205 0.000 1.147 116 Y CB -0.399 38.121 38.460 0.099 0.000 0.987 116 Y HN 0.039 nan 8.280 nan 0.000 0.509 117 V N -0.531 119.468 119.914 0.141 0.000 2.332 117 V HA -0.346 3.774 4.120 -0.000 0.000 0.248 117 V C 2.044 178.165 176.094 0.045 0.000 1.055 117 V CA 2.259 64.574 62.300 0.024 0.000 1.038 117 V CB -1.095 30.774 31.823 0.077 0.000 0.651 117 V HN 0.516 nan 8.190 nan 0.000 0.450 118 Y N 1.884 122.177 120.300 -0.012 0.000 2.224 118 Y HA -0.279 4.271 4.550 -0.000 0.000 0.289 118 Y C 2.860 178.762 175.900 0.005 0.000 1.146 118 Y CA 2.104 60.165 58.100 -0.065 0.000 1.182 118 Y CB -0.483 37.853 38.460 -0.207 0.000 0.983 118 Y HN 0.480 nan 8.280 nan 0.000 0.524 119 T N -2.477 112.202 114.554 0.210 0.000 3.035 119 T HA -0.148 4.201 4.350 -0.000 0.000 0.268 119 T C 1.394 176.195 174.700 0.168 0.000 1.109 119 T CA 1.369 63.600 62.100 0.219 0.000 1.119 119 T CB -0.222 68.915 68.868 0.448 0.000 0.900 119 T HN 0.478 nan 8.240 nan 0.000 0.503 120 Q N 0.678 120.487 119.800 0.016 0.000 2.319 120 Q HA 0.128 4.468 4.340 -0.000 0.000 0.202 120 Q C 1.866 177.829 176.000 -0.061 0.000 0.896 120 Q CA 1.111 56.903 55.803 -0.019 0.000 0.942 120 Q CB 0.476 29.075 28.738 -0.232 0.000 1.083 120 Q HN 0.866 nan 8.270 nan 0.000 0.510 121 T N -3.972 110.509 114.554 -0.123 0.000 3.177 121 T HA 0.093 4.443 4.350 -0.000 0.000 0.262 121 T C 1.616 176.171 174.700 -0.242 0.000 0.959 121 T CA -0.195 61.812 62.100 -0.155 0.000 0.996 121 T CB 0.235 69.019 68.868 -0.142 0.000 1.185 121 T HN -0.108 nan 8.240 nan 0.000 0.486 122 Q N 0.907 120.434 119.800 -0.455 0.000 2.511 122 Q HA 0.397 4.737 4.340 -0.000 0.000 0.236 122 Q C 0.035 175.755 176.000 -0.466 0.000 0.893 122 Q CA 0.575 56.013 55.803 -0.609 0.000 0.947 122 Q CB 0.437 28.446 28.738 -1.216 0.000 1.110 122 Q HN 0.507 nan 8.270 nan 0.000 0.591 123 N N 0.340 118.783 118.700 -0.430 0.000 2.655 123 N HA 0.100 4.840 4.740 -0.000 0.000 0.277 123 N C -0.130 175.398 175.510 0.031 0.000 1.177 123 N CA 0.019 53.010 53.050 -0.099 0.000 0.882 123 N CB 1.364 39.911 38.487 0.100 0.000 1.481 123 N HN -0.164 nan 8.380 nan 0.000 0.547 124 R N 3.152 123.632 120.500 -0.033 0.000 2.193 124 R HA 0.152 4.492 4.340 -0.000 0.000 0.229 124 R C 0.544 176.774 176.300 -0.117 0.000 1.110 124 R CA 1.555 57.590 56.100 -0.108 0.000 0.988 124 R CB -0.173 29.990 30.300 -0.228 0.000 0.871 124 R HN 0.685 nan 8.270 nan 0.000 0.458 125 L N -0.143 121.063 121.223 -0.027 0.000 2.818 125 L HA 0.240 4.580 4.340 -0.000 0.000 0.243 125 L C 0.139 177.004 176.870 -0.008 0.000 1.185 125 L CA -0.726 54.051 54.840 -0.105 0.000 0.988 125 L CB -0.059 41.948 42.059 -0.087 0.000 1.292 125 L HN 0.194 nan 8.230 nan 0.000 0.519 126 W N 2.130 123.429 121.300 -0.001 0.000 2.216 126 W HA 0.043 4.703 4.660 -0.000 0.000 0.326 126 W C 0.984 177.516 176.519 0.021 0.000 1.319 126 W CA 0.202 57.590 57.345 0.071 0.000 1.213 126 W CB 0.919 30.546 29.460 0.279 0.000 1.171 126 W HN 0.230 nan 8.180 nan 0.000 0.557 127 R N 3.362 123.473 120.500 -0.649 0.000 2.225 127 R HA 0.093 4.433 4.340 -0.000 0.000 0.194 127 R C 0.499 176.661 176.300 -0.228 0.000 0.949 127 R CA 0.259 56.139 56.100 -0.367 0.000 1.088 127 R CB 0.207 30.235 30.300 -0.453 0.000 1.106 127 R HN 0.319 nan 8.270 nan 0.000 0.566 128 K N 0.922 120.949 120.400 -0.621 0.000 2.155 128 K HA 0.114 4.433 4.320 -0.000 0.000 0.237 128 K C 0.337 177.096 176.600 0.266 0.000 1.040 128 K CA 0.161 56.360 56.287 -0.147 0.000 0.912 128 K CB 0.755 33.098 32.500 -0.262 0.000 1.137 128 K HN 0.141 nan 8.250 nan 0.000 0.498 129 T N -0.948 113.752 114.554 0.244 0.000 2.681 129 T HA 0.131 4.481 4.350 -0.000 0.000 0.333 129 T C 0.780 175.652 174.700 0.288 0.000 1.049 129 T CA -0.329 61.919 62.100 0.246 0.000 1.002 129 T CB 0.428 69.361 68.868 0.108 0.000 1.161 129 T HN 0.371 nan 8.240 nan 0.000 0.519 130 R N 0.529 121.070 120.500 0.068 0.000 2.652 130 R HA 0.253 4.593 4.340 -0.000 0.000 0.372 130 R C 0.502 176.565 176.300 -0.395 0.000 1.104 130 R CA -0.231 55.798 56.100 -0.119 0.000 1.072 130 R CB -0.211 29.990 30.300 -0.165 0.000 1.367 130 R HN 0.853 nan 8.270 nan 0.000 0.577 131 S N 0.523 115.871 115.700 -0.587 0.000 2.572 131 S HA 0.356 4.826 4.470 -0.000 0.000 0.279 131 S C 0.288 174.437 174.600 -0.753 0.000 1.341 131 S CA -0.547 56.833 58.200 -1.366 0.000 1.043 131 S CB 1.527 64.253 63.200 -0.790 0.000 0.887 131 S HN -0.010 nan 8.310 nan 0.000 0.516 132 R N 1.925 121.980 120.500 -0.742 0.000 2.265 132 R HA 0.393 4.733 4.340 -0.000 0.000 0.319 132 R C -0.649 175.604 176.300 -0.078 0.000 1.006 132 R CA -0.461 55.521 56.100 -0.197 0.000 0.880 132 R CB 0.294 30.611 30.300 0.029 0.000 1.077 132 R HN 0.641 nan 8.270 nan 0.000 0.454 133 N N 5.581 124.259 118.700 -0.037 0.000 2.415 133 N HA 0.110 4.850 4.740 -0.000 0.000 0.246 133 N C -1.890 173.634 175.510 0.023 0.000 1.078 133 N CA -1.386 51.670 53.050 0.010 0.000 0.942 133 N CB 1.382 39.860 38.487 -0.015 0.000 1.140 133 N HN 0.314 nan 8.380 nan 0.000 0.501 134 P HA -0.061 nan 4.420 nan 0.000 0.216 134 P C 1.084 178.404 177.300 0.034 0.000 1.150 134 P CA 0.985 64.114 63.100 0.049 0.000 0.837 134 P CB 0.317 32.056 31.700 0.065 0.000 0.786 135 G N -1.853 106.967 108.800 0.034 0.000 3.314 135 G HA2 0.211 4.171 3.960 -0.000 0.000 0.238 135 G HA3 0.211 4.171 3.960 -0.000 0.000 0.238 135 G C 0.049 174.945 174.900 -0.007 0.000 1.184 135 G CA 0.187 45.299 45.100 0.020 0.000 0.806 135 G HN 0.351 nan 8.290 nan 0.000 0.536 136 S N -1.077 114.612 115.700 -0.018 0.000 2.537 136 S HA 0.408 4.877 4.470 -0.000 0.000 0.270 136 S C 1.043 175.621 174.600 -0.037 0.000 1.142 136 S CA 0.278 58.450 58.200 -0.048 0.000 0.870 136 S CB 1.308 64.444 63.200 -0.106 0.000 1.112 136 S HN 0.318 nan 8.310 nan 0.000 0.466 137 S N 1.505 117.183 115.700 -0.036 0.000 2.527 137 S HA 0.147 4.617 4.470 -0.000 0.000 0.222 137 S C 0.869 175.453 174.600 -0.026 0.000 0.985 137 S CA -0.037 58.149 58.200 -0.024 0.000 0.921 137 S CB -0.716 62.474 63.200 -0.016 0.000 0.772 137 S HN 0.631 nan 8.310 nan 0.000 0.529 138 c N 1.771 120.344 118.600 -0.046 0.000 2.657 138 c HA 0.534 5.104 4.570 -0.000 0.000 0.404 138 c C 0.508 174.591 174.090 -0.011 0.000 1.291 138 c CA -0.723 55.589 56.329 -0.027 0.000 2.218 138 c CB -0.503 41.961 42.510 -0.076 0.000 2.687 138 c HN 0.549 nan 8.230 nan 0.000 0.634 139 I N 2.165 122.776 120.570 0.068 0.000 2.441 139 I HA 0.632 4.802 4.170 -0.000 0.000 0.295 139 I C 0.553 176.802 176.117 0.219 0.000 0.994 139 I CA 0.493 61.833 61.300 0.066 0.000 1.144 139 I CB 1.286 39.255 38.000 -0.050 0.000 1.314 139 I HN 0.968 nan 8.210 nan 0.000 0.445 140 G N 3.968 112.838 108.800 0.116 0.000 2.692 140 G HA2 0.240 4.200 3.960 -0.000 0.000 0.686 140 G HA3 0.240 4.200 3.960 -0.000 0.000 0.686 140 G C -1.078 173.938 174.900 0.193 0.000 1.243 140 G CA -0.369 44.836 45.100 0.174 0.000 0.782 140 G HN 1.010 nan 8.290 nan 0.000 0.625 141 A N 0.613 123.514 122.820 0.135 0.000 2.384 141 A HA 0.774 5.093 4.320 -0.000 0.000 0.312 141 A C -0.161 177.460 177.584 0.062 0.000 1.113 141 A CA 0.075 52.176 52.037 0.107 0.000 0.779 141 A CB 1.725 20.686 19.000 -0.066 0.000 1.307 141 A HN 1.169 nan 8.150 nan 0.000 0.436 142 D N 1.829 122.258 120.400 0.047 0.000 2.338 142 D HA 0.219 4.859 4.640 -0.000 0.000 0.255 142 D C -1.385 175.024 176.300 0.182 0.000 1.237 142 D CA -1.751 52.323 54.000 0.123 0.000 0.883 142 D CB 1.133 41.996 40.800 0.105 0.000 1.087 142 D HN 0.172 nan 8.370 nan 0.000 0.485 143 P HA -0.105 nan 4.420 nan 0.000 0.223 143 P C 0.629 178.153 177.300 0.373 0.000 1.151 143 P CA 0.540 63.754 63.100 0.190 0.000 0.787 143 P CB 0.408 32.207 31.700 0.165 0.000 0.788 144 N N -0.208 118.747 118.700 0.424 0.000 2.313 144 N HA 0.023 4.763 4.740 -0.000 0.000 0.207 144 N C 0.919 176.674 175.510 0.408 0.000 1.141 144 N CA 0.079 53.413 53.050 0.473 0.000 0.830 144 N CB -0.201 38.514 38.487 0.379 0.000 1.008 144 N HN -0.147 nan 8.380 nan 0.000 0.481 145 R N -0.824 119.892 120.500 0.360 0.000 2.535 145 R HA 0.236 4.576 4.340 -0.000 0.000 0.323 145 R C 0.500 177.009 176.300 0.348 0.000 0.979 145 R CA -0.069 56.200 56.100 0.282 0.000 1.120 145 R CB -0.354 30.038 30.300 0.153 0.000 1.306 145 R HN 0.280 nan 8.270 nan 0.000 0.540 146 N N -0.325 118.607 118.700 0.386 0.000 2.236 146 N HA 0.013 4.753 4.740 -0.000 0.000 0.196 146 N C -0.562 175.022 175.510 0.123 0.000 1.114 146 N CA -0.113 53.090 53.050 0.257 0.000 0.859 146 N CB 0.470 38.943 38.487 -0.024 0.000 0.982 146 N HN -0.025 nan 8.380 nan 0.000 0.493 147 W N 1.294 122.650 121.300 0.094 0.000 2.215 147 W HA 0.267 4.926 4.660 -0.000 0.000 0.342 147 W C 0.817 177.391 176.519 0.091 0.000 1.237 147 W CA -0.648 56.669 57.345 -0.046 0.000 1.283 147 W CB 0.082 29.507 29.460 -0.058 0.000 1.131 147 W HN -0.058 nan 8.180 nan 0.000 0.606 148 N N 1.664 120.530 118.700 0.275 0.000 3.050 148 N HA 0.348 5.088 4.740 -0.000 0.000 0.289 148 N C -1.275 174.492 175.510 0.428 0.000 1.209 148 N CA 0.024 53.253 53.050 0.298 0.000 1.154 148 N CB -0.469 38.148 38.487 0.218 0.000 1.444 148 N HN 0.423 nan 8.380 nan 0.000 0.529 149 A N 1.297 124.321 122.820 0.340 0.000 2.651 149 A HA 0.435 4.755 4.320 -0.000 0.000 0.290 149 A C 0.445 177.964 177.584 -0.109 0.000 1.185 149 A CA -0.651 51.501 52.037 0.192 0.000 0.746 149 A CB 0.154 19.393 19.000 0.398 0.000 1.213 149 A HN 0.339 nan 8.150 nan 0.000 0.429 150 S N 0.785 116.259 115.700 -0.378 0.000 3.477 150 S HA -0.214 4.256 4.470 -0.000 0.000 0.371 150 S C 0.146 174.672 174.600 -0.123 0.000 0.965 150 S CA 0.805 58.764 58.200 -0.403 0.000 1.239 150 S CB -1.728 60.960 63.200 -0.852 0.000 0.918 150 S HN 1.589 nan 8.310 nan 0.000 0.498 151 F N 1.742 121.623 119.950 -0.115 0.000 2.623 151 F HA 0.322 4.849 4.527 -0.000 0.000 0.383 151 F C 1.117 176.822 175.800 -0.159 0.000 1.077 151 F CA 0.976 58.924 58.000 -0.086 0.000 1.268 151 F CB 0.039 38.998 39.000 -0.069 0.000 1.053 151 F HN 0.861 nan 8.300 nan 0.000 0.571 152 A N 3.274 125.422 122.820 -1.121 0.000 2.979 152 A HA -0.164 4.156 4.320 -0.000 0.000 0.260 152 A C 0.934 178.291 177.584 -0.377 0.000 1.282 152 A CA 0.913 52.346 52.037 -1.006 0.000 0.971 152 A CB -2.531 15.700 19.000 -1.282 0.000 1.124 152 A HN 1.666 nan 8.150 nan 0.000 0.826 153 G N -0.721 107.939 108.800 -0.233 0.000 2.616 153 G HA2 0.414 4.374 3.960 -0.000 0.000 0.268 153 G HA3 0.414 4.374 3.960 -0.000 0.000 0.268 153 G C 0.046 174.920 174.900 -0.045 0.000 1.213 153 G CA 0.078 45.114 45.100 -0.107 0.000 0.926 153 G HN 0.835 nan 8.290 nan 0.000 0.523 154 K N -0.479 119.916 120.400 -0.008 0.000 2.530 154 K HA 0.252 4.572 4.320 -0.000 0.000 0.280 154 K C 1.079 177.702 176.600 0.037 0.000 1.004 154 K CA 1.309 57.605 56.287 0.015 0.000 1.071 154 K CB -0.230 32.284 32.500 0.023 0.000 0.876 154 K HN 1.230 nan 8.250 nan 0.000 0.487 155 G N 1.458 110.274 108.800 0.028 0.000 2.148 155 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.157 155 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.157 155 G C -0.249 174.661 174.900 0.018 0.000 1.012 155 G CA -0.128 44.996 45.100 0.040 0.000 0.677 155 G HN 0.955 nan 8.290 nan 0.000 0.506 156 A N -1.162 121.663 122.820 0.008 0.000 2.535 156 A HA 0.984 5.304 4.320 -0.000 0.000 0.296 156 A C -0.258 177.326 177.584 -0.001 0.000 1.248 156 A CA 0.389 52.430 52.037 0.007 0.000 0.686 156 A CB 1.196 20.227 19.000 0.051 0.000 1.315 156 A HN 1.716 nan 8.150 nan 0.000 0.460 157 S N -1.204 114.467 115.700 -0.049 0.000 2.536 157 S HA 0.493 4.963 4.470 -0.000 0.000 0.287 157 S C -0.729 173.740 174.600 -0.218 0.000 1.101 157 S CA -0.488 57.668 58.200 -0.073 0.000 0.950 157 S CB 1.382 64.544 63.200 -0.062 0.000 1.056 157 S HN 0.485 nan 8.310 nan 0.000 0.481 158 D N 1.833 122.185 120.400 -0.080 0.000 2.347 158 D HA 0.029 4.669 4.640 -0.000 0.000 0.215 158 D C 0.205 176.479 176.300 -0.043 0.000 0.976 158 D CA 0.537 54.519 54.000 -0.030 0.000 0.884 158 D CB -0.111 40.741 40.800 0.087 0.000 0.915 158 D HN 0.455 nan 8.370 nan 0.000 0.526 159 N N 1.272 119.912 118.700 -0.100 0.000 2.411 159 N HA 0.051 4.791 4.740 -0.000 0.000 0.259 159 N C -1.970 173.264 175.510 -0.460 0.000 1.103 159 N CA -1.679 51.249 53.050 -0.204 0.000 0.954 159 N CB 1.802 40.211 38.487 -0.130 0.000 1.085 159 N HN -0.184 nan 8.380 nan 0.000 0.485 160 P HA 0.015 nan 4.420 nan 0.000 0.225 160 P C 0.707 177.675 177.300 -0.554 0.000 1.148 160 P CA 0.750 63.086 63.100 -1.273 0.000 0.779 160 P CB 0.258 31.442 31.700 -0.861 0.000 0.780 161 c N -1.883 116.528 118.600 -0.314 0.000 2.539 161 c HA 0.145 4.714 4.570 -0.000 0.000 0.268 161 c C 1.560 175.568 174.090 -0.137 0.000 1.395 161 c CA -0.014 56.216 56.329 -0.164 0.000 1.757 161 c CB -1.429 41.012 42.510 -0.115 0.000 1.851 161 c HN 0.224 nan 8.230 nan 0.000 0.545 162 S N 1.063 116.677 115.700 -0.143 0.000 2.576 162 S HA 0.055 4.525 4.470 -0.000 0.000 0.276 162 S C 1.174 175.708 174.600 -0.110 0.000 1.339 162 S CA -0.078 58.058 58.200 -0.106 0.000 1.039 162 S CB 0.514 63.665 63.200 -0.081 0.000 0.902 162 S HN 0.423 nan 8.310 nan 0.000 0.516 163 E N 2.001 122.111 120.200 -0.150 0.000 2.409 163 E HA -0.060 4.290 4.350 -0.000 0.000 0.198 163 E C 1.285 177.794 176.600 -0.152 0.000 1.024 163 E CA 0.922 57.198 56.400 -0.207 0.000 0.861 163 E CB -0.168 29.396 29.700 -0.226 0.000 0.788 163 E HN 0.635 nan 8.360 nan 0.000 0.521 164 V N -1.897 117.957 119.914 -0.100 0.000 3.006 164 V HA 0.202 4.321 4.120 -0.000 0.000 0.357 164 V C 0.122 176.201 176.094 -0.025 0.000 1.377 164 V CA -0.945 61.315 62.300 -0.066 0.000 1.198 164 V CB -1.063 30.694 31.823 -0.110 0.000 1.216 164 V HN -0.040 nan 8.190 nan 0.000 0.520 165 Y N 3.676 123.880 120.300 -0.161 0.000 2.721 165 Y HA 0.192 4.742 4.550 -0.000 0.000 0.329 165 Y C 1.616 177.422 175.900 -0.157 0.000 1.211 165 Y CA 0.156 58.116 58.100 -0.234 0.000 1.512 165 Y CB 0.517 38.861 38.460 -0.192 0.000 1.249 165 Y HN 0.696 nan 8.280 nan 0.000 0.549 166 H N 3.478 122.251 119.070 -0.494 0.000 2.529 166 H HA 0.372 4.928 4.556 -0.000 0.000 0.277 166 H C 1.085 176.121 175.328 -0.487 0.000 0.999 166 H CA -0.203 55.584 56.048 -0.434 0.000 1.256 166 H CB -0.523 28.918 29.762 -0.535 0.000 1.402 166 H HN 0.909 nan 8.280 nan 0.000 0.566 167 G N 0.430 108.516 108.800 -1.190 0.000 2.746 167 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.685 167 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.685 167 G C -1.820 173.082 174.900 0.004 0.000 1.350 167 G CA -0.404 44.317 45.100 -0.631 0.000 0.837 167 G HN 0.247 nan 8.290 nan 0.000 0.564 168 P HA 0.026 nan 4.420 nan 0.000 0.221 168 P C 0.490 177.920 177.300 0.217 0.000 1.150 168 P CA 2.247 65.455 63.100 0.179 0.000 0.800 168 P CB -0.089 31.691 31.700 0.133 0.000 0.787 169 H N -3.818 115.258 119.070 0.009 0.000 3.003 169 H HA 0.672 5.228 4.556 -0.000 0.000 0.327 169 H C -1.126 173.619 175.328 -0.973 0.000 1.353 169 H CA -1.152 54.658 56.048 -0.396 0.000 1.142 169 H CB 0.030 29.653 29.762 -0.231 0.000 1.864 169 H HN -0.005 nan 8.280 nan 0.000 0.529 170 A N 1.260 123.224 122.820 -1.428 0.000 2.540 170 A HA 0.222 4.542 4.320 -0.000 0.000 0.239 170 A C 0.416 177.732 177.584 -0.448 0.000 1.061 170 A CA 0.362 51.739 52.037 -1.099 0.000 0.758 170 A CB -0.663 17.902 19.000 -0.725 0.000 0.991 170 A HN 0.896 nan 8.150 nan 0.000 0.502 171 N N 0.468 118.911 118.700 -0.428 0.000 2.753 171 N HA -0.236 4.504 4.740 -0.000 0.000 0.251 171 N C 1.189 176.539 175.510 -0.267 0.000 1.097 171 N CA 1.443 54.272 53.050 -0.369 0.000 0.786 171 N CB -1.848 36.453 38.487 -0.310 0.000 1.137 171 N HN 1.079 nan 8.380 nan 0.000 0.566 172 S N -1.029 114.425 115.700 -0.411 0.000 2.419 172 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 172 S C 0.600 175.071 174.600 -0.215 0.000 1.016 172 S CA 0.694 58.605 58.200 -0.483 0.000 0.974 172 S CB 0.162 62.852 63.200 -0.851 0.000 0.786 172 S HN 0.213 nan 8.310 nan 0.000 0.492 173 E N 1.692 121.765 120.200 -0.212 0.000 2.180 173 E HA 0.220 4.570 4.350 -0.000 0.000 0.283 173 E C 0.913 177.446 176.600 -0.112 0.000 1.061 173 E CA -0.170 56.158 56.400 -0.120 0.000 0.861 173 E CB 1.453 31.083 29.700 -0.115 0.000 1.056 173 E HN 0.128 nan 8.360 nan 0.000 0.407 174 V N 3.937 123.843 119.914 -0.013 0.000 2.568 174 V HA -0.314 3.805 4.120 -0.000 0.000 0.253 174 V C 1.332 177.398 176.094 -0.047 0.000 1.072 174 V CA 2.073 64.363 62.300 -0.015 0.000 1.084 174 V CB 0.011 31.866 31.823 0.054 0.000 0.676 174 V HN 0.536 nan 8.190 nan 0.000 0.469 175 E N -0.221 119.964 120.200 -0.025 0.000 2.110 175 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 175 E C 2.080 178.597 176.600 -0.139 0.000 0.988 175 E CA 1.638 58.021 56.400 -0.028 0.000 0.804 175 E CB -0.373 29.350 29.700 0.038 0.000 0.745 175 E HN 0.548 nan 8.360 nan 0.000 0.458 176 V N 0.835 120.574 119.914 -0.292 0.000 2.346 176 V HA -0.187 3.932 4.120 -0.000 0.000 0.244 176 V C 2.271 177.962 176.094 -0.672 0.000 1.037 176 V CA 1.580 63.481 62.300 -0.666 0.000 1.029 176 V CB -0.378 30.887 31.823 -0.929 0.000 0.663 176 V HN 0.196 nan 8.190 nan 0.000 0.454 177 K N 0.237 120.370 120.400 -0.444 0.000 2.103 177 K HA -0.196 4.123 4.320 -0.000 0.000 0.207 177 K C 2.310 178.767 176.600 -0.239 0.000 1.048 177 K CA 1.881 57.968 56.287 -0.334 0.000 0.930 177 K CB -0.175 32.207 32.500 -0.196 0.000 0.716 177 K HN 0.443 nan 8.250 nan 0.000 0.444 178 S N 0.296 115.895 115.700 -0.168 0.000 2.368 178 S HA -0.116 4.353 4.470 -0.000 0.000 0.225 178 S C 1.928 176.483 174.600 -0.075 0.000 1.030 178 S CA 1.371 59.528 58.200 -0.071 0.000 0.999 178 S CB -0.120 63.063 63.200 -0.028 0.000 0.844 178 S HN 0.137 nan 8.310 nan 0.000 0.459 179 V N 1.326 121.132 119.914 -0.179 0.000 2.323 179 V HA -0.105 4.015 4.120 -0.000 0.000 0.244 179 V C 2.325 178.219 176.094 -0.333 0.000 1.041 179 V CA 1.235 63.377 62.300 -0.264 0.000 1.025 179 V CB -0.733 30.969 31.823 -0.201 0.000 0.656 179 V HN 0.319 nan 8.190 nan 0.000 0.451 180 V N 0.394 120.038 119.914 -0.451 0.000 2.282 180 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 180 V C 2.321 178.338 176.094 -0.129 0.000 1.057 180 V CA 2.376 64.407 62.300 -0.448 0.000 1.032 180 V CB -0.736 30.695 31.823 -0.653 0.000 0.645 180 V HN 0.553 nan 8.190 nan 0.000 0.447 181 D N -0.813 119.527 120.400 -0.100 0.000 2.117 181 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 181 D C 1.875 178.204 176.300 0.048 0.000 0.987 181 D CA 1.319 55.315 54.000 -0.007 0.000 0.829 181 D CB -0.318 40.480 40.800 -0.002 0.000 0.961 181 D HN 0.471 nan 8.370 nan 0.000 0.460 182 F N 1.001 120.906 119.950 -0.075 0.000 2.102 182 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 182 F C 2.215 178.006 175.800 -0.015 0.000 1.105 182 F CA 1.090 59.076 58.000 -0.024 0.000 1.239 182 F CB -0.067 38.920 39.000 -0.022 0.000 0.991 182 F HN -0.129 nan 8.300 nan 0.000 0.474 183 I N -0.045 120.561 120.570 0.061 0.000 2.252 183 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 183 I C 2.276 178.501 176.117 0.179 0.000 1.102 183 I CA 1.326 62.604 61.300 -0.037 0.000 1.385 183 I CB -0.561 37.299 38.000 -0.233 0.000 1.064 183 I HN 0.258 nan 8.210 nan 0.000 0.414 184 Q N 0.412 120.312 119.800 0.167 0.000 2.119 184 Q HA -0.251 4.089 4.340 -0.000 0.000 0.201 184 Q C 2.139 178.199 176.000 0.100 0.000 0.972 184 Q CA 1.316 57.216 55.803 0.162 0.000 0.847 184 Q CB -0.094 28.738 28.738 0.157 0.000 0.903 184 Q HN 0.228 nan 8.270 nan 0.000 0.433 185 K N 0.360 120.781 120.400 0.035 0.000 2.097 185 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 185 K C 1.989 178.579 176.600 -0.017 0.000 1.050 185 K CA 1.256 57.528 56.287 -0.025 0.000 0.938 185 K CB -0.288 32.151 32.500 -0.102 0.000 0.718 185 K HN 0.265 nan 8.250 nan 0.000 0.442 186 H N -0.592 118.418 119.070 -0.101 0.000 2.270 186 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 186 H C 1.191 176.558 175.328 0.066 0.000 1.077 186 H CA 2.384 58.417 56.048 -0.024 0.000 1.294 186 H CB -0.089 29.739 29.762 0.110 0.000 1.371 186 H HN 0.400 nan 8.280 nan 0.000 0.491 187 G N 0.639 109.657 108.800 0.364 0.000 2.176 187 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.253 187 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.253 187 G C 0.479 175.540 174.900 0.268 0.000 0.979 187 G CA 0.666 45.904 45.100 0.231 0.000 0.641 187 G HN 0.590 nan 8.290 nan 0.000 0.530 188 N N -0.504 118.498 118.700 0.504 0.000 2.536 188 N HA 0.384 5.124 4.740 -0.000 0.000 0.286 188 N C -0.314 175.373 175.510 0.294 0.000 1.577 188 N CA -0.608 52.642 53.050 0.334 0.000 0.883 188 N CB 0.018 38.614 38.487 0.182 0.000 1.390 188 N HN 0.135 nan 8.380 nan 0.000 0.491 189 F N 0.842 120.953 119.950 0.268 0.000 2.443 189 F HA 0.275 4.802 4.527 -0.000 0.000 0.353 189 F C 1.724 177.661 175.800 0.228 0.000 1.101 189 F CA 0.093 58.223 58.000 0.216 0.000 1.226 189 F CB 1.194 40.325 39.000 0.218 0.000 1.140 189 F HN -0.090 nan 8.300 nan 0.000 0.557 190 K N 1.641 122.278 120.400 0.395 0.000 2.435 190 K HA 0.312 4.631 4.320 -0.000 0.000 0.199 190 K C 0.550 177.454 176.600 0.506 0.000 1.153 190 K CA 0.278 56.792 56.287 0.379 0.000 0.974 190 K CB 0.974 33.673 32.500 0.332 0.000 0.997 190 K HN 0.703 nan 8.250 nan 0.000 0.547 191 G N 0.696 109.832 108.800 0.561 0.000 2.659 191 G HA2 0.582 4.542 3.960 -0.000 0.000 0.296 191 G HA3 0.582 4.542 3.960 -0.000 0.000 0.296 191 G C -1.933 173.371 174.900 0.674 0.000 1.369 191 G CA -0.433 45.034 45.100 0.611 0.000 0.937 191 G HN -0.010 nan 8.290 nan 0.000 0.485 192 F N 1.729 121.958 119.950 0.465 0.000 2.653 192 F HA 0.663 5.190 4.527 -0.000 0.000 0.327 192 F C -1.121 174.943 175.800 0.441 0.000 1.195 192 F CA -1.021 57.248 58.000 0.448 0.000 0.993 192 F CB 1.391 40.569 39.000 0.296 0.000 1.259 192 F HN 0.330 nan 8.300 nan 0.000 0.478 193 I N 4.963 125.720 120.570 0.311 0.000 2.436 193 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 193 I C -1.270 175.023 176.117 0.293 0.000 1.010 193 I CA -0.695 60.863 61.300 0.431 0.000 1.098 193 I CB 1.861 40.108 38.000 0.412 0.000 1.266 193 I HN 0.400 nan 8.210 nan 0.000 0.434 194 D N 7.147 127.823 120.400 0.460 0.000 2.344 194 D HA 0.466 5.106 4.640 -0.000 0.000 0.239 194 D C -0.921 175.671 176.300 0.488 0.000 1.064 194 D CA -0.240 54.023 54.000 0.438 0.000 0.829 194 D CB 1.362 42.513 40.800 0.586 0.000 1.129 194 D HN 0.317 nan 8.370 nan 0.000 0.506 195 L N 4.584 125.987 121.223 0.299 0.000 2.264 195 L HA 0.432 4.772 4.340 -0.000 0.000 0.289 195 L C 0.466 177.444 176.870 0.180 0.000 1.044 195 L CA -0.566 54.448 54.840 0.289 0.000 0.807 195 L CB 1.062 43.212 42.059 0.152 0.000 1.192 195 L HN 0.373 nan 8.230 nan 0.000 0.425 196 H N 1.132 120.390 119.070 0.314 0.000 2.906 196 H HA 0.655 5.211 4.556 -0.000 0.000 0.337 196 H C -0.708 174.821 175.328 0.335 0.000 1.257 196 H CA -0.591 55.654 56.048 0.328 0.000 1.192 196 H CB 2.498 32.452 29.762 0.321 0.000 1.912 196 H HN 0.620 nan 8.280 nan 0.000 0.573 197 S N 0.001 116.000 115.700 0.498 0.000 2.607 197 S HA 0.575 5.045 4.470 -0.000 0.000 0.273 197 S C -1.525 173.279 174.600 0.340 0.000 1.148 197 S CA -0.833 57.615 58.200 0.414 0.000 0.833 197 S CB 2.009 65.470 63.200 0.435 0.000 1.130 197 S HN 0.616 nan 8.310 nan 0.000 0.470 198 Y N -1.567 118.769 120.300 0.059 0.000 2.602 198 Y HA 0.916 5.466 4.550 -0.000 0.000 0.342 198 Y C 0.510 176.376 175.900 -0.056 0.000 1.029 198 Y CA -0.899 57.194 58.100 -0.013 0.000 1.080 198 Y CB 1.609 39.990 38.460 -0.131 0.000 1.284 198 Y HN 0.725 nan 8.280 nan 0.000 0.485 199 S N -0.866 114.860 115.700 0.043 0.000 4.530 199 S HA -0.094 4.376 4.470 -0.000 0.000 0.055 199 S C -0.600 173.889 174.600 -0.184 0.000 0.852 199 S CA 0.039 58.206 58.200 -0.055 0.000 1.039 199 S CB -0.794 62.302 63.200 -0.174 0.000 0.509 199 S HN 0.805 nan 8.310 nan 0.000 0.791 200 Q N 0.459 120.057 119.800 -0.336 0.000 2.456 200 Q HA -0.151 4.188 4.340 -0.000 0.000 0.325 200 Q C -1.102 174.397 176.000 -0.835 0.000 1.453 200 Q CA 0.836 56.035 55.803 -1.008 0.000 0.848 200 Q CB -1.361 26.894 28.738 -0.804 0.000 1.123 200 Q HN 0.606 nan 8.270 nan 0.000 0.374 201 L N 0.796 121.774 121.223 -0.409 0.000 2.388 201 L HA 0.720 5.060 4.340 -0.000 0.000 0.264 201 L C -0.870 176.079 176.870 0.132 0.000 0.998 201 L CA -1.204 53.590 54.840 -0.076 0.000 0.817 201 L CB 1.594 43.583 42.059 -0.116 0.000 1.338 201 L HN 0.131 nan 8.230 nan 0.000 0.414 202 L N 3.400 124.667 121.223 0.074 0.000 2.342 202 L HA 0.651 4.991 4.340 -0.000 0.000 0.276 202 L C -0.825 176.018 176.870 -0.046 0.000 0.997 202 L CA -0.057 54.706 54.840 -0.130 0.000 0.838 202 L CB 1.247 43.109 42.059 -0.327 0.000 1.224 202 L HN 0.563 nan 8.230 nan 0.000 0.416 203 M N 4.776 124.357 119.600 -0.032 0.000 2.716 203 M HA 0.599 5.078 4.480 -0.000 0.000 0.307 203 M C -1.339 174.959 176.300 -0.004 0.000 1.223 203 M CA -0.724 54.498 55.300 -0.131 0.000 0.871 203 M CB 2.417 34.884 32.600 -0.222 0.000 1.739 203 M HN 0.560 nan 8.290 nan 0.000 0.475 204 Y N -2.017 118.207 120.300 -0.127 0.000 2.677 204 Y HA 0.815 5.365 4.550 -0.000 0.000 0.334 204 Y C -3.108 172.551 175.900 -0.402 0.000 1.154 204 Y CA -3.117 54.792 58.100 -0.319 0.000 1.070 204 Y CB -0.310 37.903 38.460 -0.411 0.000 1.294 204 Y HN 0.341 nan 8.280 nan 0.000 0.475 205 P HA 0.122 nan 4.420 nan 0.000 0.270 205 P C -1.412 175.543 177.300 -0.575 0.000 1.223 205 P CA 0.358 63.061 63.100 -0.661 0.000 0.785 205 P CB 0.328 31.269 31.700 -1.264 0.000 0.923 206 Y N -0.780 119.325 120.300 -0.326 0.000 2.496 206 Y HA 0.471 5.021 4.550 -0.000 0.000 0.331 206 Y C 1.817 177.533 175.900 -0.305 0.000 1.140 206 Y CA -0.114 57.745 58.100 -0.400 0.000 1.166 206 Y CB 1.274 39.371 38.460 -0.604 0.000 1.249 206 Y HN 0.411 nan 8.280 nan 0.000 0.479 207 G N 0.045 108.821 108.800 -0.041 0.000 2.595 207 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.213 207 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.213 207 G C 0.988 175.930 174.900 0.070 0.000 1.141 207 G CA 0.207 45.312 45.100 0.008 0.000 0.806 207 G HN 0.837 nan 8.290 nan 0.000 0.530 208 Y N -0.117 120.241 120.300 0.097 0.000 2.546 208 Y HA 0.563 5.113 4.550 -0.000 0.000 0.287 208 Y C 0.671 176.558 175.900 -0.021 0.000 1.158 208 Y CA -0.037 58.081 58.100 0.030 0.000 1.307 208 Y CB 0.094 38.565 38.460 0.018 0.000 1.036 208 Y HN 0.107 nan 8.280 nan 0.000 0.532 209 S N -0.159 115.485 115.700 -0.094 0.000 2.547 209 S HA 0.339 4.809 4.470 -0.000 0.000 0.270 209 S C 0.269 174.832 174.600 -0.062 0.000 1.150 209 S CA -0.316 57.845 58.200 -0.065 0.000 0.850 209 S CB 1.264 64.366 63.200 -0.163 0.000 1.118 209 S HN 0.463 nan 8.310 nan 0.000 0.461 210 V N 1.534 121.433 119.914 -0.024 0.000 3.461 210 V HA 0.270 4.390 4.120 -0.000 0.000 0.267 210 V C 0.920 177.013 176.094 -0.001 0.000 1.186 210 V CA 0.756 63.047 62.300 -0.015 0.000 1.154 210 V CB -1.503 30.315 31.823 -0.008 0.000 0.802 210 V HN 0.794 nan 8.190 nan 0.000 0.474 211 K N 1.904 122.299 120.400 -0.009 0.000 2.489 211 K HA 0.033 4.353 4.320 -0.000 0.000 0.278 211 K C 0.113 176.765 176.600 0.087 0.000 1.000 211 K CA -0.300 56.000 56.287 0.021 0.000 1.012 211 K CB 0.559 33.052 32.500 -0.012 0.000 0.903 211 K HN 0.388 nan 8.250 nan 0.000 0.485 212 K N 2.127 122.574 120.400 0.078 0.000 2.412 212 K HA 0.056 4.376 4.320 -0.000 0.000 0.281 212 K C -0.344 176.338 176.600 0.136 0.000 1.027 212 K CA -0.167 56.170 56.287 0.084 0.000 0.989 212 K CB 0.519 33.051 32.500 0.054 0.000 0.935 212 K HN 0.738 nan 8.250 nan 0.000 0.475 213 A N 6.260 129.120 122.820 0.067 0.000 2.511 213 A HA 0.137 4.457 4.320 -0.000 0.000 0.242 213 A C -1.682 175.943 177.584 0.067 0.000 1.069 213 A CA -1.155 50.879 52.037 -0.005 0.000 0.763 213 A CB -0.027 18.674 19.000 -0.498 0.000 1.001 213 A HN 0.701 nan 8.150 nan 0.000 0.498 214 P HA -0.138 nan 4.420 nan 0.000 0.217 214 P C 0.325 177.662 177.300 0.062 0.000 1.148 214 P CA 1.450 64.615 63.100 0.108 0.000 0.828 214 P CB 0.168 31.937 31.700 0.115 0.000 0.783 215 D N -1.638 118.805 120.400 0.073 0.000 2.427 215 D HA 0.198 4.838 4.640 -0.000 0.000 0.224 215 D C 1.535 177.760 176.300 -0.125 0.000 1.157 215 D CA 0.059 54.057 54.000 -0.004 0.000 0.828 215 D CB 0.179 41.001 40.800 0.037 0.000 0.974 215 D HN 0.059 nan 8.370 nan 0.000 0.498 216 A N 1.109 123.848 122.820 -0.136 0.000 1.917 216 A HA -0.253 4.067 4.320 -0.000 0.000 0.219 216 A C 2.070 179.512 177.584 -0.237 0.000 1.182 216 A CA 1.463 53.370 52.037 -0.215 0.000 0.633 216 A CB -0.165 18.807 19.000 -0.046 0.000 0.819 216 A HN 0.080 nan 8.150 nan 0.000 0.448 217 E N -0.459 119.672 120.200 -0.114 0.000 2.077 217 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 217 E C 2.002 178.539 176.600 -0.104 0.000 0.989 217 E CA 1.418 57.767 56.400 -0.086 0.000 0.800 217 E CB -0.213 29.468 29.700 -0.032 0.000 0.746 217 E HN 0.828 nan 8.360 nan 0.000 0.452 218 E N 0.444 120.599 120.200 -0.075 0.000 2.072 218 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 218 E C 1.945 178.491 176.600 -0.090 0.000 0.985 218 E CA 0.802 57.187 56.400 -0.026 0.000 0.801 218 E CB -0.046 29.709 29.700 0.090 0.000 0.750 218 E HN 0.210 nan 8.360 nan 0.000 0.452 219 L N 0.583 121.678 121.223 -0.213 0.000 2.083 219 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 219 L C 2.347 178.969 176.870 -0.413 0.000 1.083 219 L CA 1.610 56.270 54.840 -0.301 0.000 0.752 219 L CB -0.453 41.188 42.059 -0.697 0.000 0.899 219 L HN 0.243 nan 8.230 nan 0.000 0.433 220 D N 0.233 120.263 120.400 -0.617 0.000 2.117 220 D HA -0.235 4.404 4.640 -0.000 0.000 0.198 220 D C 2.259 178.490 176.300 -0.114 0.000 0.982 220 D CA 1.170 54.972 54.000 -0.330 0.000 0.828 220 D CB 0.140 40.843 40.800 -0.162 0.000 0.967 220 D HN 0.091 nan 8.370 nan 0.000 0.464 221 K N -0.077 120.252 120.400 -0.118 0.000 2.032 221 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 221 K C 1.908 178.437 176.600 -0.119 0.000 1.048 221 K CA 1.341 57.576 56.287 -0.087 0.000 0.927 221 K CB -0.111 32.346 32.500 -0.072 0.000 0.712 221 K HN 0.055 nan 8.250 nan 0.000 0.441 222 V N 1.314 121.127 119.914 -0.168 0.000 2.358 222 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 222 V C 2.493 178.443 176.094 -0.240 0.000 1.047 222 V CA 1.903 64.050 62.300 -0.255 0.000 1.035 222 V CB -0.695 30.932 31.823 -0.327 0.000 0.658 222 V HN 0.517 nan 8.190 nan 0.000 0.452 223 A N -0.012 122.721 122.820 -0.146 0.000 1.933 223 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 223 A C 2.392 179.908 177.584 -0.114 0.000 1.175 223 A CA 1.736 53.683 52.037 -0.151 0.000 0.628 223 A CB -0.462 18.616 19.000 0.129 0.000 0.814 223 A HN 0.507 nan 8.150 nan 0.000 0.444 224 R N -0.674 119.788 120.500 -0.062 0.000 2.075 224 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 224 R C 2.046 178.304 176.300 -0.070 0.000 1.126 224 R CA 1.314 57.387 56.100 -0.045 0.000 0.963 224 R CB -0.498 29.788 30.300 -0.022 0.000 0.858 224 R HN 0.496 nan 8.270 nan 0.000 0.435 225 L N 0.163 121.330 121.223 -0.094 0.000 2.046 225 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 225 L C 2.652 179.455 176.870 -0.112 0.000 1.077 225 L CA 1.299 56.082 54.840 -0.094 0.000 0.747 225 L CB -0.516 41.481 42.059 -0.104 0.000 0.896 225 L HN 0.256 nan 8.230 nan 0.000 0.432 226 A N -0.223 122.505 122.820 -0.153 0.000 1.898 226 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 226 A C 2.505 180.008 177.584 -0.135 0.000 1.181 226 A CA 1.505 53.450 52.037 -0.154 0.000 0.620 226 A CB -0.629 18.247 19.000 -0.208 0.000 0.819 226 A HN 0.388 nan 8.150 nan 0.000 0.442 227 A N -0.264 122.471 122.820 -0.142 0.000 1.930 227 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 227 A C 2.114 179.655 177.584 -0.072 0.000 1.175 227 A CA 1.657 53.618 52.037 -0.126 0.000 0.627 227 A CB -0.355 18.615 19.000 -0.050 0.000 0.815 227 A HN 0.495 nan 8.150 nan 0.000 0.443 228 K N -0.390 119.976 120.400 -0.056 0.000 2.057 228 K HA -0.046 4.273 4.320 -0.000 0.000 0.206 228 K C 2.351 178.925 176.600 -0.044 0.000 1.050 228 K CA 1.055 57.319 56.287 -0.037 0.000 0.935 228 K CB -0.307 32.173 32.500 -0.033 0.000 0.715 228 K HN 0.438 nan 8.250 nan 0.000 0.439 229 A N 1.823 124.604 122.820 -0.064 0.000 1.902 229 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 229 A C 2.150 179.698 177.584 -0.060 0.000 1.181 229 A CA 1.152 53.150 52.037 -0.065 0.000 0.623 229 A CB -0.649 18.297 19.000 -0.090 0.000 0.818 229 A HN 0.306 nan 8.150 nan 0.000 0.443 230 L N -0.550 120.624 121.223 -0.081 0.000 2.012 230 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 230 L C 2.682 179.527 176.870 -0.040 0.000 1.073 230 L CA 1.706 56.494 54.840 -0.087 0.000 0.748 230 L CB -0.326 41.616 42.059 -0.196 0.000 0.891 230 L HN 0.367 nan 8.230 nan 0.000 0.431 231 A N -0.713 122.093 122.820 -0.023 0.000 2.125 231 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 231 A C 2.392 179.984 177.584 0.012 0.000 1.156 231 A CA 1.456 53.504 52.037 0.018 0.000 0.671 231 A CB -0.758 18.261 19.000 0.030 0.000 0.794 231 A HN 0.688 nan 8.150 nan 0.000 0.459 232 S N -0.649 115.049 115.700 -0.003 0.000 2.481 232 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 232 S C 1.607 176.211 174.600 0.007 0.000 0.996 232 S CA 1.158 59.358 58.200 -0.000 0.000 0.942 232 S CB -0.541 62.653 63.200 -0.010 0.000 0.768 232 S HN 0.236 nan 8.310 nan 0.000 0.520 233 V N 0.999 120.918 119.914 0.009 0.000 2.273 233 V HA 0.064 4.184 4.120 -0.000 0.000 0.242 233 V C 2.183 178.287 176.094 0.017 0.000 1.035 233 V CA 1.766 64.075 62.300 0.015 0.000 1.013 233 V CB -0.668 31.163 31.823 0.013 0.000 0.652 233 V HN 0.577 nan 8.190 nan 0.000 0.452 234 S N -1.723 113.990 115.700 0.022 0.000 2.787 234 S HA 0.427 4.897 4.470 -0.000 0.000 0.255 234 S C 1.195 175.815 174.600 0.033 0.000 1.051 234 S CA 0.532 58.747 58.200 0.025 0.000 1.124 234 S CB 1.197 64.412 63.200 0.025 0.000 1.104 234 S HN 0.888 nan 8.310 nan 0.000 0.623 235 G N 2.156 110.978 108.800 0.036 0.000 2.143 235 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.249 235 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.249 235 G C 0.101 175.039 174.900 0.064 0.000 0.981 235 G CA 0.328 45.454 45.100 0.042 0.000 0.665 235 G HN 0.455 nan 8.290 nan 0.000 0.528 236 T N 1.655 116.262 114.554 0.088 0.000 2.817 236 T HA 0.372 4.722 4.350 -0.000 0.000 0.295 236 T C 0.342 175.160 174.700 0.196 0.000 0.958 236 T CA 0.464 62.651 62.100 0.144 0.000 1.157 236 T CB 0.875 69.859 68.868 0.194 0.000 0.898 236 T HN 0.421 nan 8.240 nan 0.000 0.536 237 E N 2.568 122.871 120.200 0.172 0.000 2.146 237 E HA 0.275 4.625 4.350 -0.000 0.000 0.282 237 E C -0.924 175.815 176.600 0.233 0.000 0.989 237 E CA -0.512 55.992 56.400 0.174 0.000 0.799 237 E CB 0.870 30.622 29.700 0.086 0.000 1.088 237 E HN 0.514 nan 8.360 nan 0.000 0.397 238 Y N 1.511 121.821 120.300 0.017 0.000 2.457 238 Y HA 0.190 4.740 4.550 -0.000 0.000 0.333 238 Y C 0.527 176.419 175.900 -0.013 0.000 1.119 238 Y CA -0.721 57.383 58.100 0.007 0.000 1.143 238 Y CB 1.291 39.753 38.460 0.003 0.000 1.230 238 Y HN 0.352 nan 8.280 nan 0.000 0.469 239 Q N 1.056 120.899 119.800 0.071 0.000 2.204 239 Q HA 0.681 5.021 4.340 -0.000 0.000 0.254 239 Q C -1.166 174.854 176.000 0.033 0.000 0.981 239 Q CA -0.865 54.957 55.803 0.032 0.000 0.897 239 Q CB 2.508 31.234 28.738 -0.020 0.000 1.273 239 Q HN 0.448 nan 8.270 nan 0.000 0.464 240 V N -0.389 119.535 119.914 0.018 0.000 2.789 240 V HA 0.936 5.055 4.120 -0.000 0.000 0.311 240 V C -0.003 176.081 176.094 -0.017 0.000 1.073 240 V CA -0.288 62.029 62.300 0.029 0.000 0.921 240 V CB 2.034 33.909 31.823 0.087 0.000 1.009 240 V HN 0.921 nan 8.190 nan 0.000 0.426 241 G N 4.265 112.978 108.800 -0.145 0.000 2.322 241 G HA2 0.491 4.451 3.960 -0.000 0.000 0.295 241 G HA3 0.491 4.451 3.960 -0.000 0.000 0.295 241 G C -3.524 170.834 174.900 -0.903 0.000 1.369 241 G CA -0.686 44.208 45.100 -0.342 0.000 0.821 241 G HN 0.501 nan 8.290 nan 0.000 0.536 242 P HA 0.226 nan 4.420 nan 0.000 0.275 242 P C 0.959 177.978 177.300 -0.468 0.000 1.228 242 P CA 0.118 62.721 63.100 -0.828 0.000 0.786 242 P CB 1.216 32.657 31.700 -0.431 0.000 0.927 243 T N 1.978 116.297 114.554 -0.392 0.000 2.635 243 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 243 T C 1.685 176.248 174.700 -0.228 0.000 1.040 243 T CA 2.493 64.423 62.100 -0.284 0.000 1.156 243 T CB -1.105 67.641 68.868 -0.203 0.000 0.863 243 T HN 0.659 nan 8.240 nan 0.000 0.430 244 C N 2.098 121.304 119.300 -0.156 0.000 2.413 244 C HA -0.073 4.386 4.460 -0.000 0.000 0.277 244 C C 2.812 177.752 174.990 -0.084 0.000 1.265 244 C CA 1.193 60.164 59.018 -0.079 0.000 1.752 244 C CB -1.903 25.808 27.740 -0.048 0.000 1.998 244 C HN 0.691 nan 8.230 nan 0.000 0.489 245 T N -3.363 111.120 114.554 -0.118 0.000 3.022 245 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 245 T C 1.314 175.940 174.700 -0.123 0.000 1.060 245 T CA 1.153 63.196 62.100 -0.096 0.000 1.013 245 T CB -0.402 68.419 68.868 -0.079 0.000 0.982 245 T HN 0.547 nan 8.240 nan 0.000 0.508 246 T N 1.916 116.361 114.554 -0.182 0.000 2.983 246 T HA 0.134 4.484 4.350 -0.000 0.000 0.250 246 T C 2.048 176.610 174.700 -0.231 0.000 1.037 246 T CA 1.223 63.206 62.100 -0.195 0.000 1.142 246 T CB 0.106 68.835 68.868 -0.231 0.000 0.876 246 T HN 0.449 nan 8.240 nan 0.000 0.455 247 V N -1.755 117.954 119.914 -0.342 0.000 2.950 247 V HA 0.513 4.633 4.120 -0.000 0.000 0.231 247 V C 0.065 175.912 176.094 -0.411 0.000 1.205 247 V CA -0.204 61.779 62.300 -0.529 0.000 1.239 247 V CB -0.330 30.910 31.823 -0.973 0.000 1.050 247 V HN 0.562 nan 8.190 nan 0.000 0.498 248 Y N -3.590 116.673 120.300 -0.062 0.000 2.841 248 Y HA 0.703 5.253 4.550 -0.000 0.000 0.373 248 Y C -3.388 172.491 175.900 -0.034 0.000 1.170 248 Y CA -2.231 55.843 58.100 -0.044 0.000 1.196 248 Y CB 0.016 38.453 38.460 -0.038 0.000 1.433 248 Y HN -0.119 nan 8.280 nan 0.000 0.479 249 P HA 0.373 nan 4.420 nan 0.000 0.265 249 P C -0.900 176.545 177.300 0.241 0.000 1.193 249 P CA 0.516 63.718 63.100 0.169 0.000 0.765 249 P CB 0.745 32.505 31.700 0.101 0.000 0.823 250 A N 2.051 124.994 122.820 0.206 0.000 2.442 250 A HA 0.570 4.890 4.320 -0.000 0.000 0.284 250 A C -0.262 177.437 177.584 0.193 0.000 1.058 250 A CA -0.434 51.726 52.037 0.205 0.000 0.738 250 A CB 0.896 20.062 19.000 0.276 0.000 1.242 250 A HN 0.456 nan 8.150 nan 0.000 0.421 251 S N 1.181 116.977 115.700 0.160 0.000 2.608 251 S HA 0.718 5.187 4.470 -0.000 0.000 0.291 251 S C 0.893 175.601 174.600 0.179 0.000 1.146 251 S CA 0.125 58.429 58.200 0.173 0.000 1.043 251 S CB 1.430 64.666 63.200 0.060 0.000 1.037 251 S HN 2.584 nan 8.310 nan 0.000 0.520 252 G N 1.013 109.952 108.800 0.231 0.000 2.221 252 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.265 252 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.265 252 G C 0.145 175.269 174.900 0.374 0.000 1.041 252 G CA 0.255 45.559 45.100 0.340 0.000 0.807 252 G HN 1.695 nan 8.290 nan 0.000 0.502 253 S N -0.864 114.982 115.700 0.243 0.000 2.632 253 S HA 0.707 5.177 4.470 -0.000 0.000 0.271 253 S C 1.795 176.207 174.600 -0.314 0.000 1.260 253 S CA 0.680 58.914 58.200 0.056 0.000 1.010 253 S CB 1.774 65.018 63.200 0.074 0.000 0.965 253 S HN 1.499 nan 8.310 nan 0.000 0.534 254 S N 2.065 117.289 115.700 -0.792 0.000 2.368 254 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 254 S C 1.955 176.039 174.600 -0.859 0.000 1.030 254 S CA 1.204 58.453 58.200 -1.585 0.000 0.999 254 S CB -1.279 61.197 63.200 -1.208 0.000 0.844 254 S HN 0.962 nan 8.310 nan 0.000 0.459 255 I N 0.085 120.429 120.570 -0.377 0.000 2.439 255 I HA -0.030 4.139 4.170 -0.000 0.000 0.251 255 I C 1.531 177.565 176.117 -0.138 0.000 1.139 255 I CA 1.684 62.851 61.300 -0.221 0.000 1.438 255 I CB -0.528 37.457 38.000 -0.025 0.000 1.085 255 I HN -0.013 nan 8.210 nan 0.000 0.427 256 D N 0.655 121.038 120.400 -0.028 0.000 2.144 256 D HA -0.178 4.462 4.640 -0.000 0.000 0.200 256 D C 1.634 178.072 176.300 0.231 0.000 0.978 256 D CA 1.287 55.392 54.000 0.176 0.000 0.833 256 D CB -0.368 40.669 40.800 0.395 0.000 0.961 256 D HN 0.669 nan 8.370 nan 0.000 0.470 257 W N 2.041 123.318 121.300 -0.037 0.000 2.355 257 W HA -0.130 4.529 4.660 -0.000 0.000 0.309 257 W C 2.314 178.774 176.519 -0.098 0.000 1.206 257 W CA 2.321 59.660 57.345 -0.009 0.000 1.284 257 W CB -0.354 29.130 29.460 0.039 0.000 1.145 257 W HN -0.050 nan 8.180 nan 0.000 0.502 258 A N -0.366 122.304 122.820 -0.250 0.000 1.883 258 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 258 A C 1.937 179.311 177.584 -0.350 0.000 1.186 258 A CA 1.863 53.614 52.037 -0.477 0.000 0.624 258 A CB -1.738 16.991 19.000 -0.452 0.000 0.822 258 A HN 0.583 nan 8.150 nan 0.000 0.444 259 Y N 0.945 121.065 120.300 -0.299 0.000 2.145 259 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 259 Y C 1.661 177.437 175.900 -0.206 0.000 1.145 259 Y CA 2.094 60.044 58.100 -0.250 0.000 1.148 259 Y CB -0.195 38.098 38.460 -0.280 0.000 0.981 259 Y HN 0.335 nan 8.280 nan 0.000 0.507 260 D N -0.389 119.939 120.400 -0.120 0.000 2.348 260 D HA -0.111 4.529 4.640 -0.000 0.000 0.216 260 D C 0.791 176.907 176.300 -0.307 0.000 0.970 260 D CA 0.835 54.753 54.000 -0.136 0.000 0.889 260 D CB -0.264 40.590 40.800 0.090 0.000 0.912 260 D HN 0.464 nan 8.370 nan 0.000 0.524 261 N N -0.349 118.052 118.700 -0.498 0.000 2.251 261 N HA 0.128 4.868 4.740 -0.000 0.000 0.217 261 N C 0.943 176.229 175.510 -0.372 0.000 1.124 261 N CA 0.389 53.129 53.050 -0.518 0.000 0.843 261 N CB 1.437 39.367 38.487 -0.928 0.000 1.024 261 N HN 0.146 nan 8.380 nan 0.000 0.501 262 G N 1.107 109.694 108.800 -0.356 0.000 2.175 262 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 262 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 262 G C 0.091 174.867 174.900 -0.207 0.000 0.982 262 G CA -0.433 44.503 45.100 -0.274 0.000 0.641 262 G HN 0.325 nan 8.290 nan 0.000 0.527 263 I N 1.539 121.992 120.570 -0.194 0.000 2.256 263 I HA 0.219 4.389 4.170 -0.000 0.000 0.294 263 I C 1.536 177.611 176.117 -0.070 0.000 1.127 263 I CA -0.126 61.155 61.300 -0.032 0.000 1.247 263 I CB 1.151 39.199 38.000 0.081 0.000 1.460 263 I HN 0.180 nan 8.210 nan 0.000 0.511 264 K N 5.284 125.563 120.400 -0.201 0.000 2.097 264 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 264 K C 0.321 176.718 176.600 -0.338 0.000 1.050 264 K CA 1.315 57.375 56.287 -0.378 0.000 0.938 264 K CB 0.169 32.227 32.500 -0.738 0.000 0.718 264 K HN 0.322 nan 8.250 nan 0.000 0.442 265 F N 1.451 121.514 119.950 0.188 0.000 2.499 265 F HA 0.324 4.851 4.527 -0.000 0.000 0.353 265 F C -0.113 175.798 175.800 0.184 0.000 1.196 265 F CA -0.810 57.319 58.000 0.215 0.000 1.244 265 F CB 0.660 39.909 39.000 0.414 0.000 1.577 265 F HN -0.032 nan 8.300 nan 0.000 0.614 266 A N 3.588 126.347 122.820 -0.102 0.000 2.291 266 A HA 0.813 5.133 4.320 -0.000 0.000 0.311 266 A C -1.166 176.216 177.584 -0.336 0.000 1.224 266 A CA -0.362 51.676 52.037 0.001 0.000 0.821 266 A CB 0.310 19.298 19.000 -0.020 0.000 1.172 266 A HN 0.430 nan 8.150 nan 0.000 0.494 267 F N 0.479 120.606 119.950 0.295 0.000 2.591 267 F HA 0.521 5.048 4.527 -0.000 0.000 0.309 267 F C 0.390 176.354 175.800 0.273 0.000 1.098 267 F CA -0.350 57.782 58.000 0.222 0.000 0.937 267 F CB 2.854 41.977 39.000 0.205 0.000 1.250 267 F HN 0.382 nan 8.300 nan 0.000 0.447 268 T N 2.907 117.670 114.554 0.349 0.000 2.794 268 T HA 0.508 4.858 4.350 -0.000 0.000 0.280 268 T C -1.000 173.872 174.700 0.287 0.000 0.987 268 T CA -0.361 61.939 62.100 0.333 0.000 0.993 268 T CB 0.383 69.334 68.868 0.138 0.000 0.939 268 T HN 0.168 nan 8.240 nan 0.000 0.449 269 F N 2.481 122.613 119.950 0.303 0.000 2.415 269 F HA 0.337 4.863 4.527 -0.000 0.000 0.348 269 F C 0.940 176.930 175.800 0.316 0.000 1.119 269 F CA -0.932 57.253 58.000 0.309 0.000 1.069 269 F CB 1.167 40.339 39.000 0.287 0.000 1.124 269 F HN 0.344 nan 8.300 nan 0.000 0.472 270 E N 5.443 125.878 120.200 0.392 0.000 2.055 270 E HA 0.289 4.639 4.350 -0.000 0.000 0.274 270 E C -0.019 176.756 176.600 0.292 0.000 0.949 270 E CA -0.210 56.359 56.400 0.282 0.000 0.775 270 E CB 1.273 31.016 29.700 0.072 0.000 1.097 270 E HN 0.573 nan 8.360 nan 0.000 0.404 271 L N 1.747 123.192 121.223 0.370 0.000 2.540 271 L HA 0.294 4.634 4.340 -0.000 0.000 0.215 271 L C 1.360 178.367 176.870 0.227 0.000 1.204 271 L CA -0.586 54.481 54.840 0.378 0.000 0.841 271 L CB 0.196 42.463 42.059 0.347 0.000 1.420 271 L HN 0.264 nan 8.230 nan 0.000 0.519 272 R N 0.329 120.961 120.500 0.219 0.000 2.784 272 R HA 0.009 4.349 4.340 -0.000 0.000 0.266 272 R C -0.659 175.733 176.300 0.152 0.000 1.044 272 R CA -0.262 55.923 56.100 0.142 0.000 1.151 272 R CB 0.190 30.570 30.300 0.135 0.000 1.037 272 R HN 0.623 nan 8.270 nan 0.000 0.478 273 D N -0.844 119.605 120.400 0.080 0.000 2.466 273 D HA 0.017 4.657 4.640 -0.000 0.000 0.271 273 D C 0.855 177.199 176.300 0.075 0.000 1.193 273 D CA -0.293 53.738 54.000 0.051 0.000 1.103 273 D CB -0.358 40.469 40.800 0.045 0.000 1.184 273 D HN 0.494 nan 8.370 nan 0.000 0.593 274 T N -5.541 109.034 114.554 0.036 0.000 3.086 274 T HA 0.491 4.841 4.350 -0.000 0.000 0.250 274 T C 1.245 176.008 174.700 0.105 0.000 1.074 274 T CA 0.337 62.485 62.100 0.081 0.000 0.988 274 T CB -0.121 68.755 68.868 0.012 0.000 0.988 274 T HN 0.901 nan 8.240 nan 0.000 0.530 275 G N 0.105 108.851 108.800 -0.090 0.000 2.613 275 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.199 275 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.199 275 G C 0.882 175.633 174.900 -0.249 0.000 0.991 275 G CA 0.228 45.192 45.100 -0.226 0.000 0.756 275 G HN 0.364 nan 8.290 nan 0.000 0.515 276 T N 0.213 114.654 114.554 -0.188 0.000 2.652 276 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 276 T C 1.819 176.288 174.700 -0.385 0.000 1.039 276 T CA 2.078 64.026 62.100 -0.252 0.000 1.153 276 T CB -0.205 68.535 68.868 -0.213 0.000 0.863 276 T HN 0.427 nan 8.240 nan 0.000 0.428 277 Y N 0.256 120.429 120.300 -0.211 0.000 2.507 277 Y HA 0.359 4.908 4.550 -0.000 0.000 0.263 277 Y C 2.011 177.677 175.900 -0.391 0.000 1.093 277 Y CA 0.029 57.998 58.100 -0.217 0.000 1.285 277 Y CB -0.248 38.134 38.460 -0.130 0.000 1.115 277 Y HN 0.414 nan 8.280 nan 0.000 0.533 278 G N 1.080 109.529 108.800 -0.586 0.000 2.596 278 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.304 278 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.304 278 G C 0.813 175.249 174.900 -0.772 0.000 1.189 278 G CA 0.846 45.027 45.100 -1.533 0.000 0.986 278 G HN 0.223 nan 8.290 nan 0.000 0.548 279 F N 0.971 120.787 119.950 -0.223 0.000 2.293 279 F HA 0.255 4.782 4.527 -0.000 0.000 0.300 279 F C 2.167 177.891 175.800 -0.127 0.000 1.086 279 F CA 1.082 59.064 58.000 -0.030 0.000 1.375 279 F CB -0.213 38.781 39.000 -0.009 0.000 1.045 279 F HN 0.146 nan 8.300 nan 0.000 0.516 280 L N 1.468 122.707 121.223 0.027 0.000 2.934 280 L HA 0.167 4.507 4.340 -0.000 0.000 0.233 280 L C -0.225 176.637 176.870 -0.013 0.000 1.358 280 L CA -0.546 54.269 54.840 -0.042 0.000 1.233 280 L CB -0.526 41.530 42.059 -0.005 0.000 1.594 280 L HN 0.017 nan 8.230 nan 0.000 0.439 281 L N 2.376 123.603 121.223 0.007 0.000 2.410 281 L HA 0.291 4.631 4.340 -0.000 0.000 0.273 281 L C -1.962 174.895 176.870 -0.021 0.000 1.144 281 L CA -1.079 53.737 54.840 -0.040 0.000 0.863 281 L CB 0.287 42.408 42.059 0.104 0.000 1.140 281 L HN 0.010 nan 8.230 nan 0.000 0.463 282 P HA 0.033 nan 4.420 nan 0.000 0.267 282 P C -0.068 177.240 177.300 0.013 0.000 1.200 282 P CA 0.198 63.209 63.100 -0.148 0.000 0.772 282 P CB 0.717 32.209 31.700 -0.345 0.000 0.855 283 A N 3.543 126.393 122.820 0.050 0.000 2.019 283 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 283 A C 1.635 179.122 177.584 -0.161 0.000 1.164 283 A CA 1.828 53.752 52.037 -0.189 0.000 0.644 283 A CB -1.279 17.595 19.000 -0.210 0.000 0.805 283 A HN 0.714 nan 8.150 nan 0.000 0.449 284 N N -0.149 118.493 118.700 -0.096 0.000 2.609 284 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 284 N C 1.113 176.579 175.510 -0.073 0.000 1.157 284 N CA 1.170 54.174 53.050 -0.076 0.000 0.918 284 N CB -0.525 37.931 38.487 -0.052 0.000 0.978 284 N HN 0.669 nan 8.380 nan 0.000 0.448 285 Q N -0.419 119.333 119.800 -0.080 0.000 2.319 285 Q HA 0.287 4.627 4.340 -0.000 0.000 0.202 285 Q C 1.442 177.400 176.000 -0.070 0.000 0.896 285 Q CA -0.165 55.603 55.803 -0.058 0.000 0.942 285 Q CB 0.298 29.013 28.738 -0.038 0.000 1.083 285 Q HN 0.430 nan 8.270 nan 0.000 0.510 286 I N 0.620 121.123 120.570 -0.112 0.000 2.113 286 I HA -0.322 3.848 4.170 -0.000 0.000 0.238 286 I C 2.110 178.105 176.117 -0.203 0.000 1.070 286 I CA 1.507 62.728 61.300 -0.131 0.000 1.332 286 I CB -0.157 37.723 38.000 -0.199 0.000 1.044 286 I HN 0.193 nan 8.210 nan 0.000 0.402 287 I N 0.361 120.813 120.570 -0.197 0.000 2.202 287 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 287 I C -0.446 175.468 176.117 -0.338 0.000 1.091 287 I CA 1.431 62.538 61.300 -0.321 0.000 1.368 287 I CB -1.561 36.377 38.000 -0.103 0.000 1.058 287 I HN 0.142 nan 8.210 nan 0.000 0.410 288 P HA -0.154 nan 4.420 nan 0.000 0.216 288 P C 1.635 178.847 177.300 -0.148 0.000 1.153 288 P CA 1.645 64.667 63.100 -0.130 0.000 0.858 288 P CB -0.130 31.534 31.700 -0.060 0.000 0.789 289 T N -0.808 113.663 114.554 -0.138 0.000 2.777 289 T HA -0.099 4.250 4.350 -0.000 0.000 0.266 289 T C 1.891 176.466 174.700 -0.208 0.000 1.040 289 T CA 1.625 63.674 62.100 -0.086 0.000 1.141 289 T CB -0.884 67.976 68.868 -0.012 0.000 0.868 289 T HN 0.047 nan 8.240 nan 0.000 0.444 290 A N 1.527 124.079 122.820 -0.447 0.000 1.930 290 A HA -0.083 4.236 4.320 -0.000 0.000 0.217 290 A C 2.307 179.368 177.584 -0.872 0.000 1.175 290 A CA 1.111 52.705 52.037 -0.739 0.000 0.627 290 A CB -0.343 17.887 19.000 -1.283 0.000 0.815 290 A HN 0.338 nan 8.150 nan 0.000 0.443 291 E N 0.240 119.945 120.200 -0.826 0.000 2.051 291 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 291 E C 2.097 178.661 176.600 -0.059 0.000 0.991 291 E CA 1.608 57.797 56.400 -0.351 0.000 0.799 291 E CB -0.359 29.241 29.700 -0.167 0.000 0.748 291 E HN 0.970 nan 8.360 nan 0.000 0.449 292 E N 0.326 120.473 120.200 -0.089 0.000 2.107 292 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 292 E C 1.897 178.477 176.600 -0.032 0.000 0.982 292 E CA 1.358 57.741 56.400 -0.029 0.000 0.809 292 E CB -0.438 29.254 29.700 -0.015 0.000 0.756 292 E HN -0.032 nan 8.360 nan 0.000 0.459 293 T N 0.904 115.425 114.554 -0.056 0.000 2.788 293 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 293 T C 1.176 175.863 174.700 -0.022 0.000 1.044 293 T CA 1.305 63.348 62.100 -0.096 0.000 1.139 293 T CB -0.533 68.255 68.868 -0.134 0.000 0.867 293 T HN 0.429 nan 8.240 nan 0.000 0.454 294 W N 1.657 122.886 121.300 -0.120 0.000 2.363 294 W HA -0.093 4.567 4.660 -0.000 0.000 0.296 294 W C 1.503 178.001 176.519 -0.035 0.000 1.212 294 W CA 0.668 58.003 57.345 -0.016 0.000 1.260 294 W CB -0.239 29.330 29.460 0.182 0.000 1.131 294 W HN 0.235 nan 8.180 nan 0.000 0.530 295 L N 0.436 121.610 121.223 -0.082 0.000 2.093 295 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 295 L C 2.765 179.510 176.870 -0.207 0.000 1.085 295 L CA 1.460 56.175 54.840 -0.209 0.000 0.755 295 L CB -1.587 40.418 42.059 -0.091 0.000 0.904 295 L HN 0.060 nan 8.230 nan 0.000 0.435 296 G N 0.344 109.071 108.800 -0.121 0.000 2.421 296 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 296 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 296 G C 1.650 176.516 174.900 -0.056 0.000 1.171 296 G CA 0.417 45.499 45.100 -0.030 0.000 0.775 296 G HN 0.199 nan 8.290 nan 0.000 0.543 297 L N 0.013 121.130 121.223 -0.176 0.000 2.017 297 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 297 L C 2.986 179.666 176.870 -0.317 0.000 1.073 297 L CA 1.363 56.082 54.840 -0.202 0.000 0.745 297 L CB -0.334 41.633 42.059 -0.154 0.000 0.894 297 L HN 0.171 nan 8.230 nan 0.000 0.432 298 K N -0.621 119.430 120.400 -0.582 0.000 2.097 298 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 298 K C 2.086 178.500 176.600 -0.310 0.000 1.049 298 K CA 1.721 57.664 56.287 -0.572 0.000 0.933 298 K CB -0.279 31.765 32.500 -0.759 0.000 0.717 298 K HN 0.300 nan 8.250 nan 0.000 0.442 299 T N 1.867 116.270 114.554 -0.253 0.000 2.684 299 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 299 T C 1.924 176.529 174.700 -0.157 0.000 1.036 299 T CA 1.217 63.210 62.100 -0.178 0.000 1.148 299 T CB -0.177 68.594 68.868 -0.161 0.000 0.863 299 T HN 0.146 nan 8.240 nan 0.000 0.436 300 I N 0.597 121.064 120.570 -0.172 0.000 2.202 300 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 300 I C 2.527 178.594 176.117 -0.082 0.000 1.091 300 I CA 1.318 62.522 61.300 -0.161 0.000 1.368 300 I CB -0.356 37.538 38.000 -0.176 0.000 1.058 300 I HN 0.240 nan 8.210 nan 0.000 0.410 301 M N -0.102 119.447 119.600 -0.085 0.000 2.229 301 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 301 M C 2.063 178.313 176.300 -0.082 0.000 1.063 301 M CA 1.638 56.903 55.300 -0.058 0.000 1.114 301 M CB -0.411 32.149 32.600 -0.066 0.000 1.387 301 M HN 0.206 nan 8.290 nan 0.000 0.420 302 E N -0.745 119.392 120.200 -0.105 0.000 2.106 302 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 302 E C 1.813 178.356 176.600 -0.095 0.000 0.984 302 E CA 1.196 57.540 56.400 -0.093 0.000 0.806 302 E CB -0.207 29.436 29.700 -0.095 0.000 0.750 302 E HN 0.542 nan 8.360 nan 0.000 0.458 303 H N 0.277 119.226 119.070 -0.201 0.000 2.357 303 H HA -0.082 4.474 4.556 -0.000 0.000 0.301 303 H C 1.943 177.040 175.328 -0.385 0.000 1.082 303 H CA 1.506 57.393 56.048 -0.268 0.000 1.342 303 H CB 0.002 29.580 29.762 -0.307 0.000 1.389 303 H HN -0.067 nan 8.280 nan 0.000 0.511 304 V N 1.082 120.786 119.914 -0.350 0.000 2.332 304 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 304 V C 2.639 178.640 176.094 -0.156 0.000 1.055 304 V CA 2.198 64.298 62.300 -0.334 0.000 1.038 304 V CB -0.642 31.136 31.823 -0.075 0.000 0.651 304 V HN 0.458 nan 8.190 nan 0.000 0.450 305 R N 0.253 120.688 120.500 -0.109 0.000 2.105 305 R HA -0.208 4.131 4.340 -0.000 0.000 0.239 305 R C 1.582 177.832 176.300 -0.083 0.000 1.135 305 R CA 2.092 58.154 56.100 -0.063 0.000 0.967 305 R CB -0.337 29.932 30.300 -0.052 0.000 0.861 305 R HN 0.476 nan 8.270 nan 0.000 0.442 306 D N -0.119 120.190 120.400 -0.151 0.000 2.349 306 D HA 0.012 4.652 4.640 -0.000 0.000 0.224 306 D C 0.085 176.292 176.300 -0.156 0.000 1.029 306 D CA 0.485 54.396 54.000 -0.149 0.000 0.879 306 D CB 0.119 40.810 40.800 -0.182 0.000 0.906 306 D HN 0.225 nan 8.370 nan 0.000 0.528 307 N N 0.382 118.992 118.700 -0.151 0.000 2.433 307 N HA 0.147 4.887 4.740 -0.000 0.000 0.270 307 N C -0.032 175.513 175.510 0.058 0.000 1.354 307 N CA -0.041 52.978 53.050 -0.052 0.000 0.889 307 N CB 1.518 39.967 38.487 -0.063 0.000 1.285 307 N HN 0.110 nan 8.380 nan 0.000 0.503 308 L N 0.000 121.242 121.223 0.031 0.000 2.949 308 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 308 L CA 0.000 54.874 54.840 0.057 0.000 0.813 308 L CB 0.000 42.087 42.059 0.046 0.000 0.961 308 L HN 0.000 nan 8.230 nan 0.000 0.502