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_A 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 58.209 58.200 0.015 0.000 1.107 3 S CB 0.000 63.207 63.200 0.011 0.000 0.593 4 S N 0.447 116.188 115.700 0.069 0.000 2.549 4 S HA 0.686 5.156 4.470 -0.000 0.000 0.280 4 S C -0.755 173.902 174.600 0.094 0.000 1.109 4 S CA -0.405 57.851 58.200 0.092 0.000 0.905 4 S CB 1.091 64.363 63.200 0.120 0.000 1.081 4 S HN 1.035 nan 8.310 nan 0.000 0.477 5 N N 1.904 120.652 118.700 0.080 0.000 2.282 5 N HA 0.159 4.899 4.740 -0.000 0.000 0.240 5 N C -0.196 175.360 175.510 0.075 0.000 1.182 5 N CA -0.390 52.706 53.050 0.076 0.000 0.874 5 N CB -0.177 38.341 38.487 0.052 0.000 1.126 5 N HN 0.555 nan 8.380 nan 0.000 0.516 6 N N -0.720 118.035 118.700 0.092 0.000 2.307 6 N HA 0.128 4.868 4.740 -0.000 0.000 0.248 6 N C -1.393 174.176 175.510 0.098 0.000 1.322 6 N CA -0.667 52.426 53.050 0.072 0.000 0.861 6 N CB -0.605 37.904 38.487 0.036 0.000 1.303 6 N HN 0.130 nan 8.380 nan 0.000 0.498 7 F N 1.606 121.525 119.950 -0.051 0.000 2.366 7 F HA 0.462 4.989 4.527 -0.000 0.000 0.366 7 F C -0.374 175.365 175.800 -0.102 0.000 1.096 7 F CA -1.060 56.829 58.000 -0.185 0.000 1.060 7 F CB 0.833 39.618 39.000 -0.358 0.000 1.282 7 F HN -0.091 nan 8.300 nan 0.000 0.450 8 N N 4.425 123.025 118.700 -0.168 0.000 2.408 8 N HA 0.041 4.781 4.740 -0.000 0.000 0.257 8 N C 0.279 175.763 175.510 -0.043 0.000 1.064 8 N CA 0.106 53.151 53.050 -0.010 0.000 0.952 8 N CB 0.439 38.910 38.487 -0.028 0.000 1.093 8 N HN 0.571 nan 8.380 nan 0.000 0.490 9 Y N 1.366 121.759 120.300 0.155 0.000 2.571 9 Y HA 0.117 4.667 4.550 0.000 0.000 0.294 9 Y C 2.055 178.015 175.900 0.101 0.000 1.141 9 Y CA 0.773 59.014 58.100 0.236 0.000 1.308 9 Y CB 0.327 39.007 38.460 0.367 0.000 1.002 9 Y HN 0.695 nan 8.280 nan 0.000 0.551 10 G N -0.679 108.197 108.800 0.126 0.000 3.448 10 G HA2 0.475 4.435 3.960 -0.000 0.000 0.261 10 G HA3 0.475 4.435 3.960 -0.000 0.000 0.261 10 G C -0.054 174.743 174.900 -0.171 0.000 1.173 10 G CA 0.428 45.514 45.100 -0.023 0.000 0.835 10 G HN 0.274 nan 8.290 nan 0.000 0.534 11 A N -0.388 122.276 122.820 -0.260 0.000 2.469 11 A HA 0.758 5.078 4.320 -0.000 0.000 0.299 11 A C -1.474 175.755 177.584 -0.590 0.000 1.098 11 A CA -0.783 50.997 52.037 -0.428 0.000 0.737 11 A CB 1.331 20.067 19.000 -0.439 0.000 1.312 11 A HN 0.109 nan 8.150 nan 0.000 0.414 12 Y N 1.322 121.426 120.300 -0.327 0.000 2.304 12 Y HA 0.449 4.999 4.550 -0.000 0.000 0.327 12 Y C 0.947 176.478 175.900 -0.614 0.000 1.209 12 Y CA 0.520 58.430 58.100 -0.316 0.000 1.299 12 Y CB 0.804 39.157 38.460 -0.178 0.000 1.249 12 Y HN 0.580 nan 8.280 nan 0.000 0.519 13 H N -0.395 118.647 119.070 -0.047 0.000 2.797 13 H HA 0.354 4.910 4.556 -0.000 0.000 0.372 13 H C -0.356 174.953 175.328 -0.033 0.000 1.168 13 H CA -0.808 55.183 56.048 -0.095 0.000 1.163 13 H CB 2.041 31.735 29.762 -0.112 0.000 1.778 13 H HN 0.671 nan 8.280 nan 0.000 0.551 14 S N 0.578 116.337 115.700 0.098 0.000 2.600 14 S HA 0.004 4.474 4.470 -0.000 0.000 0.265 14 S C 1.451 176.145 174.600 0.157 0.000 1.325 14 S CA -0.601 57.621 58.200 0.037 0.000 1.002 14 S CB 0.883 64.083 63.200 -0.001 0.000 0.921 14 S HN 0.536 nan 8.310 nan 0.000 0.554 15 L N 1.035 122.330 121.223 0.120 0.000 2.013 15 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 15 L C 2.683 179.406 176.870 -0.244 0.000 1.073 15 L CA 2.470 57.273 54.840 -0.061 0.000 0.753 15 L CB -1.033 40.964 42.059 -0.105 0.000 0.890 15 L HN 1.025 nan 8.230 nan 0.000 0.432 16 E N -0.763 119.385 120.200 -0.087 0.000 2.085 16 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 16 E C 2.038 178.703 176.600 0.108 0.000 0.994 16 E CA 1.260 57.673 56.400 0.021 0.000 0.801 16 E CB -0.199 29.531 29.700 0.050 0.000 0.743 16 E HN 0.630 nan 8.360 nan 0.000 0.453 17 A N 0.916 123.802 122.820 0.111 0.000 1.898 17 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 17 A C 2.157 179.881 177.584 0.234 0.000 1.181 17 A CA 1.196 53.339 52.037 0.176 0.000 0.620 17 A CB -0.534 18.586 19.000 0.200 0.000 0.819 17 A HN 0.330 nan 8.150 nan 0.000 0.442 18 I N -1.697 118.999 120.570 0.211 0.000 2.179 18 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 18 I C 2.434 178.664 176.117 0.189 0.000 1.088 18 I CA 1.494 62.895 61.300 0.170 0.000 1.357 18 I CB -0.501 37.587 38.000 0.145 0.000 1.051 18 I HN 0.447 nan 8.210 nan 0.000 0.409 19 Y N -0.471 119.871 120.300 0.070 0.000 2.181 19 Y HA -0.329 4.221 4.550 -0.000 0.000 0.288 19 Y C 2.884 178.738 175.900 -0.078 0.000 1.146 19 Y CA 1.026 59.133 58.100 0.011 0.000 1.164 19 Y CB -0.394 38.135 38.460 0.115 0.000 0.982 19 Y HN 0.307 nan 8.280 nan 0.000 0.515 20 H N 0.635 119.749 119.070 0.073 0.000 2.357 20 H HA -0.170 4.386 4.556 -0.000 0.000 0.301 20 H C 1.961 177.206 175.328 -0.138 0.000 1.082 20 H CA 1.839 57.868 56.048 -0.032 0.000 1.342 20 H CB 0.167 29.931 29.762 0.004 0.000 1.389 20 H HN 0.322 nan 8.280 nan 0.000 0.511 21 E N 0.487 120.629 120.200 -0.098 0.000 2.106 21 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 21 E C 2.558 178.980 176.600 -0.296 0.000 0.984 21 E CA 0.971 57.137 56.400 -0.391 0.000 0.806 21 E CB -0.202 28.792 29.700 -1.177 0.000 0.750 21 E HN 0.481 nan 8.360 nan 0.000 0.458 22 M N 0.207 119.680 119.600 -0.211 0.000 2.108 22 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 22 M C 1.781 177.941 176.300 -0.233 0.000 1.066 22 M CA 1.721 56.908 55.300 -0.189 0.000 1.107 22 M CB -0.280 32.223 32.600 -0.162 0.000 1.356 22 M HN 0.035 nan 8.290 nan 0.000 0.406 23 D N 0.309 120.539 120.400 -0.283 0.000 2.117 23 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 23 D C 1.653 177.801 176.300 -0.254 0.000 0.987 23 D CA 1.165 54.982 54.000 -0.305 0.000 0.829 23 D CB -0.325 40.251 40.800 -0.373 0.000 0.961 23 D HN 0.246 nan 8.370 nan 0.000 0.460 24 N N 0.145 118.686 118.700 -0.265 0.000 2.120 24 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 24 N C 1.896 177.360 175.510 -0.077 0.000 1.024 24 N CA 0.990 53.935 53.050 -0.176 0.000 0.852 24 N CB -0.309 38.090 38.487 -0.147 0.000 1.003 24 N HN 0.222 nan 8.380 nan 0.000 0.424 25 I N 0.132 120.662 120.570 -0.067 0.000 2.179 25 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 25 I C 2.240 178.409 176.117 0.086 0.000 1.088 25 I CA 1.228 62.556 61.300 0.048 0.000 1.357 25 I CB -0.382 37.606 38.000 -0.020 0.000 1.051 25 I HN 0.208 nan 8.210 nan 0.000 0.409 26 A N 0.474 123.260 122.820 -0.056 0.000 1.969 26 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 26 A C 2.471 180.017 177.584 -0.062 0.000 1.169 26 A CA 1.627 53.616 52.037 -0.081 0.000 0.635 26 A CB -0.678 18.219 19.000 -0.172 0.000 0.810 26 A HN 0.440 nan 8.150 nan 0.000 0.445 27 A N -0.318 122.449 122.820 -0.088 0.000 1.968 27 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 27 A C 1.628 179.138 177.584 -0.123 0.000 1.169 27 A CA 1.743 53.718 52.037 -0.104 0.000 0.638 27 A CB -0.318 18.609 19.000 -0.121 0.000 0.812 27 A HN 0.405 nan 8.150 nan 0.000 0.446 28 D N -1.675 118.645 120.400 -0.132 0.000 2.305 28 D HA 0.117 4.757 4.640 -0.000 0.000 0.206 28 D C -0.301 175.606 176.300 -0.656 0.000 0.974 28 D CA 0.679 54.456 54.000 -0.371 0.000 0.871 28 D CB 0.021 40.562 40.800 -0.431 0.000 0.947 28 D HN 0.443 nan 8.370 nan 0.000 0.516 29 F N 0.379 120.291 119.950 -0.063 0.000 2.739 29 F HA 0.268 4.795 4.527 -0.000 0.000 0.345 29 F C -1.619 174.140 175.800 -0.069 0.000 1.373 29 F CA -1.581 56.389 58.000 -0.050 0.000 1.160 29 F CB 1.357 40.337 39.000 -0.033 0.000 1.137 29 F HN -0.136 nan 8.300 nan 0.000 0.524 30 P HA -0.081 nan 4.420 nan 0.000 0.229 30 P C 0.551 177.839 177.300 -0.020 0.000 1.160 30 P CA 1.128 64.213 63.100 -0.026 0.000 0.777 30 P CB 0.409 32.077 31.700 -0.053 0.000 0.814 31 D N -0.895 119.508 120.400 0.005 0.000 2.349 31 D HA 0.022 4.662 4.640 -0.000 0.000 0.224 31 D C 1.502 177.789 176.300 -0.022 0.000 1.029 31 D CA 0.370 54.370 54.000 -0.000 0.000 0.879 31 D CB 0.210 41.023 40.800 0.022 0.000 0.906 31 D HN 0.192 nan 8.370 nan 0.000 0.528 32 L N -0.854 120.358 121.223 -0.018 0.000 2.694 32 L HA 0.420 4.760 4.340 -0.000 0.000 0.228 32 L C -0.075 176.739 176.870 -0.095 0.000 1.048 32 L CA 0.342 55.131 54.840 -0.085 0.000 0.887 32 L CB 0.476 42.477 42.059 -0.095 0.000 1.265 32 L HN -0.177 nan 8.230 nan 0.000 0.492 33 A N 0.233 122.996 122.820 -0.096 0.000 2.386 33 A HA 0.805 5.125 4.320 -0.000 0.000 0.311 33 A C -0.757 176.669 177.584 -0.264 0.000 1.068 33 A CA -0.542 51.316 52.037 -0.298 0.000 0.743 33 A CB 1.217 20.061 19.000 -0.260 0.000 1.258 33 A HN 0.181 nan 8.150 nan 0.000 0.429 34 R N 1.095 121.382 120.500 -0.355 0.000 2.604 34 R HA 0.477 4.817 4.340 -0.000 0.000 0.281 34 R C -0.835 175.306 176.300 -0.265 0.000 1.020 34 R CA -0.629 55.330 56.100 -0.236 0.000 0.899 34 R CB 1.587 31.797 30.300 -0.150 0.000 1.205 34 R HN 0.847 nan 8.270 nan 0.000 0.450 35 R N 3.419 123.788 120.500 -0.218 0.000 2.265 35 R HA 0.391 4.731 4.340 -0.000 0.000 0.314 35 R C -1.266 174.979 176.300 -0.091 0.000 1.053 35 R CA -0.324 55.648 56.100 -0.213 0.000 0.931 35 R CB 1.111 31.223 30.300 -0.313 0.000 1.024 35 R HN 0.322 nan 8.270 nan 0.000 0.457 36 V N 5.028 124.942 119.914 0.000 0.000 2.540 36 V HA 0.258 4.378 4.120 -0.000 0.000 0.302 36 V C -0.274 175.936 176.094 0.193 0.000 1.035 36 V CA -0.895 61.473 62.300 0.113 0.000 0.873 36 V CB 1.751 33.669 31.823 0.158 0.000 0.992 36 V HN 0.700 nan 8.190 nan 0.000 0.428 37 K N 4.114 124.642 120.400 0.214 0.000 2.312 37 K HA 0.400 4.720 4.320 -0.000 0.000 0.287 37 K C 0.741 177.388 176.600 0.078 0.000 1.062 37 K CA -0.277 56.062 56.287 0.087 0.000 0.934 37 K CB 0.719 33.254 32.500 0.057 0.000 1.027 37 K HN 0.808 nan 8.250 nan 0.000 0.478 38 I N 0.312 120.894 120.570 0.019 0.000 4.057 38 I HA 0.407 4.577 4.170 -0.000 0.000 0.334 38 I C 0.539 176.696 176.117 0.067 0.000 1.308 38 I CA -0.329 61.033 61.300 0.103 0.000 1.125 38 I CB 0.772 38.805 38.000 0.054 0.000 1.034 38 I HN 0.693 nan 8.210 nan 0.000 0.401 39 G N 1.281 110.077 108.800 -0.007 0.000 2.344 39 G HA2 0.238 4.198 3.960 -0.000 0.000 0.282 39 G HA3 0.238 4.198 3.960 -0.000 0.000 0.282 39 G C -1.684 173.203 174.900 -0.021 0.000 1.281 39 G CA -0.298 44.794 45.100 -0.014 0.000 0.877 39 G HN 0.547 nan 8.290 nan 0.000 0.494 40 H N -0.931 118.114 119.070 -0.040 0.000 2.851 40 H HA 0.803 5.359 4.556 -0.000 0.000 0.372 40 H C 0.227 175.556 175.328 0.003 0.000 1.158 40 H CA -0.007 56.019 56.048 -0.036 0.000 1.159 40 H CB 1.604 31.344 29.762 -0.037 0.000 1.757 40 H HN 0.935 nan 8.280 nan 0.000 0.546 41 S N 1.426 117.174 115.700 0.081 0.000 2.641 41 S HA 0.047 4.517 4.470 -0.000 0.000 0.261 41 S C 1.098 175.828 174.600 0.217 0.000 1.257 41 S CA -0.447 57.809 58.200 0.093 0.000 0.983 41 S CB 0.448 63.742 63.200 0.156 0.000 0.990 41 S HN 0.613 nan 8.310 nan 0.000 0.572 42 F N 1.373 121.366 119.950 0.073 0.000 2.120 42 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 42 F C 2.005 177.875 175.800 0.118 0.000 1.095 42 F CA 1.910 59.968 58.000 0.097 0.000 1.249 42 F CB -0.372 38.661 39.000 0.055 0.000 0.995 42 F HN 0.732 nan 8.300 nan 0.000 0.480 43 E N 0.161 120.454 120.200 0.155 0.000 2.403 43 E HA 0.016 4.366 4.350 -0.000 0.000 0.187 43 E C -0.131 176.486 176.600 0.028 0.000 1.073 43 E CA 0.383 56.810 56.400 0.044 0.000 0.888 43 E CB -0.545 29.239 29.700 0.140 0.000 1.035 43 E HN 0.566 nan 8.360 nan 0.000 0.471 44 N N 1.055 119.796 118.700 0.069 0.000 2.776 44 N HA -0.195 4.545 4.740 -0.000 0.000 0.250 44 N C -0.660 174.898 175.510 0.080 0.000 1.112 44 N CA 0.254 53.332 53.050 0.046 0.000 0.733 44 N CB -0.767 37.664 38.487 -0.093 0.000 1.097 44 N HN 0.137 nan 8.380 nan 0.000 0.558 45 R N 1.044 121.619 120.500 0.126 0.000 2.441 45 R HA 0.274 4.614 4.340 -0.000 0.000 0.284 45 R C -2.175 174.189 176.300 0.106 0.000 1.070 45 R CA -1.362 54.821 56.100 0.139 0.000 1.047 45 R CB 0.368 30.775 30.300 0.179 0.000 1.016 45 R HN 0.050 nan 8.270 nan 0.000 0.477 46 P HA 0.023 nan 4.420 nan 0.000 0.271 46 P C -0.720 176.372 177.300 -0.346 0.000 1.218 46 P CA 0.216 63.170 63.100 -0.243 0.000 0.780 46 P CB 0.773 32.161 31.700 -0.520 0.000 0.901 47 M N 2.726 122.087 119.600 -0.397 0.000 2.205 47 M HA 0.370 4.850 4.480 -0.000 0.000 0.344 47 M C -0.709 175.314 176.300 -0.462 0.000 1.085 47 M CA -0.429 54.705 55.300 -0.277 0.000 1.001 47 M CB 1.227 33.779 32.600 -0.080 0.000 1.626 47 M HN 0.314 nan 8.290 nan 0.000 0.442 48 Y N 1.806 121.981 120.300 -0.208 0.000 2.409 48 Y HA 0.660 5.210 4.550 -0.000 0.000 0.343 48 Y C -0.005 175.796 175.900 -0.166 0.000 0.973 48 Y CA -1.194 56.756 58.100 -0.250 0.000 1.064 48 Y CB 1.846 40.024 38.460 -0.470 0.000 1.207 48 Y HN 0.486 nan 8.280 nan 0.000 0.452 49 V N 1.316 121.237 119.914 0.013 0.000 2.881 49 V HA 0.653 4.773 4.120 -0.000 0.000 0.316 49 V C -0.958 175.042 176.094 -0.157 0.000 1.070 49 V CA -1.203 61.032 62.300 -0.108 0.000 0.976 49 V CB 1.959 33.657 31.823 -0.209 0.000 1.038 49 V HN 0.687 nan 8.190 nan 0.000 0.446 50 L N 2.763 123.835 121.223 -0.251 0.000 2.282 50 L HA 0.561 4.901 4.340 -0.000 0.000 0.288 50 L C 0.138 176.619 176.870 -0.648 0.000 1.033 50 L CA -0.360 54.185 54.840 -0.491 0.000 0.807 50 L CB 1.501 43.184 42.059 -0.627 0.000 1.209 50 L HN 0.802 nan 8.230 nan 0.000 0.423 51 K N 3.804 123.792 120.400 -0.686 0.000 2.234 51 K HA 0.459 4.779 4.320 -0.000 0.000 0.277 51 K C -1.436 174.651 176.600 -0.854 0.000 1.038 51 K CA -0.402 55.403 56.287 -0.803 0.000 0.888 51 K CB 0.691 32.841 32.500 -0.584 0.000 1.091 51 K HN 0.256 nan 8.250 nan 0.000 0.467 52 F N 2.176 121.874 119.950 -0.420 0.000 2.427 52 F HA 0.390 4.917 4.527 -0.000 0.000 0.346 52 F C 0.337 175.958 175.800 -0.297 0.000 1.120 52 F CA -0.539 57.276 58.000 -0.308 0.000 1.033 52 F CB 2.118 40.964 39.000 -0.258 0.000 1.126 52 F HN 0.405 nan 8.300 nan 0.000 0.462 53 S N 1.019 116.653 115.700 -0.110 0.000 2.537 53 S HA 0.513 4.983 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 -0.704 57.431 58.200 -0.108 0.000 0.868 53 S CB 1.390 64.527 63.200 -0.104 0.000 1.115 53 S HN 0.703 nan 8.310 nan 0.000 0.461 54 T N 1.454 115.958 114.554 -0.083 0.000 3.336 54 T HA 0.632 4.982 4.350 -0.000 0.000 0.384 54 T C -0.450 174.248 174.700 -0.002 0.000 1.704 54 T CA -0.598 61.473 62.100 -0.050 0.000 1.334 54 T CB -0.366 68.500 68.868 -0.003 0.000 1.131 54 T HN 0.673 nan 8.240 nan 0.000 0.684 55 K N 0.845 121.251 120.400 0.009 0.000 3.477 55 K HA 0.372 4.692 4.320 -0.000 0.000 0.127 55 K C 0.979 177.589 176.600 0.017 0.000 0.937 55 K CA -0.172 56.121 56.287 0.011 0.000 0.929 55 K CB -0.047 32.461 32.500 0.013 0.000 0.648 55 K HN 0.633 nan 8.250 nan 0.000 0.373 56 G N -0.028 108.787 108.800 0.025 0.000 2.234 56 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.235 56 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.235 56 G C 0.212 175.139 174.900 0.044 0.000 0.997 56 G CA -0.046 45.077 45.100 0.038 0.000 0.623 56 G HN 0.115 nan 8.290 nan 0.000 0.514 57 V N 2.323 122.258 119.914 0.036 0.000 2.637 57 V HA 0.326 4.446 4.120 -0.000 0.000 0.296 57 V C 1.428 177.548 176.094 0.043 0.000 1.046 57 V CA -0.200 62.118 62.300 0.030 0.000 1.066 57 V CB 1.341 33.178 31.823 0.024 0.000 0.968 57 V HN 0.528 nan 8.190 nan 0.000 0.483 58 R N 4.504 125.013 120.500 0.015 0.000 2.522 58 R HA 0.151 4.491 4.340 -0.000 0.000 0.284 58 R C -0.275 176.045 176.300 0.034 0.000 1.032 58 R CA -0.041 56.054 56.100 -0.008 0.000 1.049 58 R CB 0.270 30.482 30.300 -0.148 0.000 0.956 58 R HN 0.637 nan 8.270 nan 0.000 0.422 59 R N 4.413 124.986 120.500 0.122 0.000 2.854 59 R HA 0.450 4.790 4.340 -0.000 0.000 0.271 59 R C -2.434 173.973 176.300 0.178 0.000 0.996 59 R CA -2.320 53.855 56.100 0.125 0.000 0.961 59 R CB 1.606 31.978 30.300 0.120 0.000 1.182 59 R HN 0.572 nan 8.270 nan 0.000 0.479 60 P HA 0.092 nan 4.420 nan 0.000 0.267 60 P C -1.117 176.231 177.300 0.081 0.000 1.200 60 P CA 0.080 63.256 63.100 0.126 0.000 0.772 60 P CB 0.637 32.402 31.700 0.109 0.000 0.855 61 A N 2.405 125.192 122.820 -0.054 0.000 2.515 61 A HA 0.656 4.976 4.320 -0.000 0.000 0.296 61 A C -1.173 176.444 177.584 0.055 0.000 1.094 61 A CA -0.645 51.291 52.037 -0.168 0.000 0.718 61 A CB 1.538 20.031 19.000 -0.846 0.000 1.307 61 A HN 0.287 nan 8.150 nan 0.000 0.408 62 V N 1.572 121.664 119.914 0.296 0.000 2.495 62 V HA 0.417 4.537 4.120 -0.000 0.000 0.298 62 V C -0.769 175.753 176.094 0.714 0.000 1.031 62 V CA -0.589 62.016 62.300 0.509 0.000 0.871 62 V CB 1.761 33.784 31.823 0.333 0.000 0.988 62 V HN 0.850 nan 8.190 nan 0.000 0.432 63 W N 6.447 128.085 121.300 0.564 0.000 2.361 63 W HA 0.613 5.273 4.660 -0.000 0.000 0.309 63 W C -1.600 174.916 176.519 -0.005 0.000 1.122 63 W CA -0.778 56.731 57.345 0.273 0.000 1.208 63 W CB 1.461 30.878 29.460 -0.070 0.000 1.246 63 W HN 0.421 nan 8.180 nan 0.000 0.490 64 L N 6.532 127.571 121.223 -0.306 0.000 2.294 64 L HA 0.217 4.557 4.340 -0.000 0.000 0.283 64 L C -0.247 176.427 176.870 -0.328 0.000 1.015 64 L CA -0.570 54.155 54.840 -0.190 0.000 0.831 64 L CB 1.206 43.226 42.059 -0.064 0.000 1.217 64 L HN 0.382 nan 8.230 nan 0.000 0.420 65 N N 2.351 120.984 118.700 -0.110 0.000 2.430 65 N HA 0.782 5.522 4.740 -0.000 0.000 0.292 65 N C -1.018 174.531 175.510 0.064 0.000 1.051 65 N CA -0.163 52.929 53.050 0.069 0.000 0.917 65 N CB 1.836 40.454 38.487 0.219 0.000 1.164 65 N HN 0.717 nan 8.380 nan 0.000 0.484 66 A N 0.949 123.806 122.820 0.062 0.000 2.556 66 A HA 0.680 5.000 4.320 -0.000 0.000 0.294 66 A C 0.448 178.052 177.584 0.032 0.000 1.091 66 A CA -0.271 51.790 52.037 0.040 0.000 0.704 66 A CB 0.836 19.865 19.000 0.048 0.000 1.300 66 A HN 1.071 nan 8.150 nan 0.000 0.406 67 G N 0.221 109.030 108.800 0.015 0.000 2.225 67 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.267 67 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.267 67 G C 0.769 175.705 174.900 0.059 0.000 1.024 67 G CA 0.589 45.718 45.100 0.048 0.000 0.784 67 G HN 1.239 nan 8.290 nan 0.000 0.507 68 I N -0.686 119.866 120.570 -0.030 0.000 2.454 68 I HA -0.019 4.151 4.170 -0.000 0.000 0.254 68 I C 1.112 177.230 176.117 0.001 0.000 1.156 68 I CA 0.910 62.200 61.300 -0.015 0.000 1.433 68 I CB 0.087 38.065 38.000 -0.036 0.000 1.082 68 I HN 0.449 nan 8.210 nan 0.000 0.432 69 H N -0.619 118.538 119.070 0.146 0.000 2.597 69 H HA 0.149 4.705 4.556 -0.000 0.000 0.303 69 H C 1.430 176.887 175.328 0.214 0.000 1.057 69 H CA -0.131 56.021 56.048 0.173 0.000 1.261 69 H CB 1.205 31.089 29.762 0.203 0.000 1.397 69 H HN 0.112 nan 8.280 nan 0.000 0.461 70 S N 3.585 119.517 115.700 0.387 0.000 2.382 70 S HA -0.246 4.224 4.470 -0.000 0.000 0.228 70 S C 1.920 176.840 174.600 0.533 0.000 1.027 70 S CA 1.003 59.493 58.200 0.484 0.000 0.991 70 S CB -0.123 63.401 63.200 0.541 0.000 0.823 70 S HN 0.740 nan 8.310 nan 0.000 0.469 71 R N 1.747 122.407 120.500 0.266 0.000 2.316 71 R HA 0.117 4.457 4.340 -0.000 0.000 0.202 71 R C 0.204 176.578 176.300 0.122 0.000 1.029 71 R CA 0.864 56.978 56.100 0.023 0.000 1.018 71 R CB -0.581 29.485 30.300 -0.390 0.000 0.888 71 R HN 0.428 nan 8.270 nan 0.000 0.471 72 E N 0.949 121.365 120.200 0.361 0.000 2.261 72 E HA -0.018 4.332 4.350 -0.000 0.000 0.308 72 E C -0.258 176.666 176.600 0.540 0.000 1.400 72 E CA -0.526 56.168 56.400 0.490 0.000 1.542 72 E CB -0.018 29.975 29.700 0.489 0.000 1.369 72 E HN 0.341 nan 8.360 nan 0.000 0.493 73 W N 0.443 121.888 121.300 0.242 0.000 2.331 73 W HA -0.191 4.469 4.660 -0.000 0.000 0.291 73 W C 1.814 178.542 176.519 0.349 0.000 1.214 73 W CA 0.315 57.791 57.345 0.220 0.000 1.228 73 W CB -0.465 28.899 29.460 -0.159 0.000 1.135 73 W HN 0.418 nan 8.180 nan 0.000 0.537 74 I N 0.972 121.890 120.570 0.579 0.000 2.567 74 I HA -0.268 3.902 4.170 -0.000 0.000 0.257 74 I C 2.556 178.879 176.117 0.343 0.000 1.184 74 I CA 2.021 63.610 61.300 0.481 0.000 1.451 74 I CB -0.746 37.478 38.000 0.374 0.000 1.089 74 I HN -0.057 nan 8.210 nan 0.000 0.441 75 S N -0.359 115.534 115.700 0.321 0.000 2.357 75 S HA -0.210 4.260 4.470 -0.000 0.000 0.221 75 S C 1.902 176.606 174.600 0.172 0.000 1.031 75 S CA 0.932 59.267 58.200 0.224 0.000 0.982 75 S CB -0.657 62.661 63.200 0.196 0.000 0.853 75 S HN 0.522 nan 8.310 nan 0.000 0.458 76 Q N 1.928 121.822 119.800 0.156 0.000 2.084 76 Q HA 0.238 4.578 4.340 -0.000 0.000 0.202 76 Q C 2.513 178.602 176.000 0.149 0.000 0.978 76 Q CA 1.607 57.444 55.803 0.057 0.000 0.844 76 Q CB -0.835 27.793 28.738 -0.183 0.000 0.898 76 Q HN 0.737 nan 8.270 nan 0.000 0.426 77 A N -0.069 122.898 122.820 0.245 0.000 1.933 77 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 77 A C 2.227 179.962 177.584 0.252 0.000 1.175 77 A CA 1.878 54.074 52.037 0.265 0.000 0.628 77 A CB -0.894 18.260 19.000 0.258 0.000 0.814 77 A HN 0.361 nan 8.150 nan 0.000 0.444 78 T N 0.051 114.724 114.554 0.198 0.000 2.821 78 T HA 0.042 4.392 4.350 -0.000 0.000 0.267 78 T C 2.216 177.044 174.700 0.213 0.000 1.046 78 T CA 1.387 63.581 62.100 0.157 0.000 1.139 78 T CB -0.358 68.567 68.868 0.094 0.000 0.871 78 T HN 0.583 nan 8.240 nan 0.000 0.454 79 A N 1.117 124.038 122.820 0.169 0.000 1.877 79 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 79 A C 2.222 179.899 177.584 0.155 0.000 1.186 79 A CA 1.208 53.322 52.037 0.130 0.000 0.620 79 A CB -0.680 18.370 19.000 0.083 0.000 0.822 79 A HN 0.431 nan 8.150 nan 0.000 0.443 80 I N -1.823 118.873 120.570 0.211 0.000 2.353 80 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 80 I C 2.032 178.358 176.117 0.349 0.000 1.119 80 I CA 0.861 62.298 61.300 0.229 0.000 1.417 80 I CB -0.427 37.715 38.000 0.236 0.000 1.078 80 I HN 0.611 nan 8.210 nan 0.000 0.421 81 W N 0.910 122.347 121.300 0.228 0.000 2.338 81 W HA -0.266 4.394 4.660 -0.000 0.000 0.304 81 W C 2.382 178.765 176.519 -0.228 0.000 1.212 81 W CA 2.362 59.743 57.345 0.059 0.000 1.264 81 W CB -0.454 29.038 29.460 0.054 0.000 1.142 81 W HN 0.013 nan 8.180 nan 0.000 0.512 82 T N 0.629 115.264 114.554 0.136 0.000 2.788 82 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 82 T C 1.929 176.302 174.700 -0.545 0.000 1.044 82 T CA 1.900 63.837 62.100 -0.272 0.000 1.139 82 T CB -0.887 67.950 68.868 -0.052 0.000 0.867 82 T HN 0.291 nan 8.240 nan 0.000 0.454 83 A N 1.850 124.511 122.820 -0.265 0.000 1.883 83 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 83 A C 2.261 179.620 177.584 -0.376 0.000 1.186 83 A CA 2.023 53.952 52.037 -0.181 0.000 0.624 83 A CB -0.549 18.505 19.000 0.090 0.000 0.822 83 A HN 0.320 nan 8.150 nan 0.000 0.444 84 R N 0.100 120.328 120.500 -0.453 0.000 2.096 84 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 84 R C 1.993 177.780 176.300 -0.855 0.000 1.127 84 R CA 2.155 57.877 56.100 -0.628 0.000 0.968 84 R CB -0.455 29.332 30.300 -0.856 0.000 0.861 84 R HN 0.385 nan 8.270 nan 0.000 0.440 85 K N 0.302 120.005 120.400 -1.161 0.000 2.097 85 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 85 K C 1.888 177.950 176.600 -0.896 0.000 1.049 85 K CA 1.643 57.180 56.287 -1.250 0.000 0.933 85 K CB -0.358 31.015 32.500 -1.879 0.000 0.717 85 K HN 0.297 nan 8.250 nan 0.000 0.442 86 I N 0.436 120.467 120.570 -0.898 0.000 2.142 86 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 86 I C 2.103 177.915 176.117 -0.509 0.000 1.078 86 I CA 1.463 62.354 61.300 -0.682 0.000 1.343 86 I CB -0.393 36.996 38.000 -1.019 0.000 1.046 86 I HN 0.086 nan 8.210 nan 0.000 0.405 87 V N -2.804 116.750 119.914 -0.599 0.000 2.515 87 V HA -0.149 3.971 4.120 -0.000 0.000 0.250 87 V C 2.273 177.924 176.094 -0.740 0.000 1.058 87 V CA 1.874 63.729 62.300 -0.742 0.000 1.064 87 V CB -0.683 30.419 31.823 -1.203 0.000 0.675 87 V HN 0.282 nan 8.190 nan 0.000 0.461 88 S N 0.693 116.034 115.700 -0.599 0.000 2.402 88 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 88 S C 1.510 175.969 174.600 -0.235 0.000 1.021 88 S CA 1.704 59.669 58.200 -0.390 0.000 0.974 88 S CB -0.336 62.620 63.200 -0.406 0.000 0.800 88 S HN 0.703 nan 8.310 nan 0.000 0.484 89 D N -0.734 119.531 120.400 -0.225 0.000 2.389 89 D HA 0.168 4.808 4.640 -0.000 0.000 0.206 89 D C -0.007 176.270 176.300 -0.040 0.000 1.055 89 D CA -0.169 53.766 54.000 -0.108 0.000 0.856 89 D CB -0.011 40.747 40.800 -0.071 0.000 0.957 89 D HN 0.354 nan 8.370 nan 0.000 0.509 90 Y N 2.302 122.517 120.300 -0.141 0.000 2.620 90 Y HA -0.023 4.527 4.550 0.000 0.000 0.330 90 Y C 1.044 176.918 175.900 -0.042 0.000 1.186 90 Y CA 0.509 58.559 58.100 -0.082 0.000 1.467 90 Y CB 0.166 38.572 38.460 -0.090 0.000 1.262 90 Y HN 0.036 nan 8.280 nan 0.000 0.550 91 Q N 2.555 121.893 119.800 -0.771 0.000 2.416 91 Q HA -0.338 4.002 4.340 -0.000 0.000 0.235 91 Q C 0.841 176.697 176.000 -0.241 0.000 0.773 91 Q CA 1.565 57.038 55.803 -0.550 0.000 1.286 91 Q CB -0.700 27.703 28.738 -0.558 0.000 1.556 91 Q HN 0.893 nan 8.270 nan 0.000 0.650 92 R N -0.293 120.107 120.500 -0.166 0.000 2.197 92 R HA 0.088 4.428 4.340 -0.000 0.000 0.188 92 R C 0.268 176.527 176.300 -0.068 0.000 1.015 92 R CA 0.321 56.365 56.100 -0.093 0.000 1.132 92 R CB 0.168 30.429 30.300 -0.066 0.000 1.134 92 R HN 0.050 nan 8.270 nan 0.000 0.560 93 D N 2.256 122.627 120.400 -0.049 0.000 2.295 93 D HA 0.106 4.746 4.640 -0.000 0.000 0.248 93 D C -1.900 174.380 176.300 -0.034 0.000 1.154 93 D CA -2.332 51.658 54.000 -0.017 0.000 0.857 93 D CB 1.631 42.454 40.800 0.039 0.000 1.117 93 D HN -0.170 nan 8.370 nan 0.000 0.468 94 P HA -0.083 nan 4.420 nan 0.000 0.218 94 P C 0.848 178.128 177.300 -0.033 0.000 1.149 94 P CA 1.258 64.332 63.100 -0.044 0.000 0.817 94 P CB 0.183 31.860 31.700 -0.039 0.000 0.785 95 A N -0.314 122.486 122.820 -0.033 0.000 1.845 95 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 95 A C 2.161 179.726 177.584 -0.032 0.000 1.195 95 A CA 1.574 53.580 52.037 -0.052 0.000 0.616 95 A CB -1.648 17.297 19.000 -0.093 0.000 0.832 95 A HN 0.133 nan 8.150 nan 0.000 0.443 96 I N 0.069 120.645 120.570 0.010 0.000 2.361 96 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 96 I C 2.282 178.471 176.117 0.121 0.000 1.133 96 I CA 2.118 63.465 61.300 0.077 0.000 1.413 96 I CB -0.557 37.575 38.000 0.220 0.000 1.073 96 I HN 0.327 nan 8.210 nan 0.000 0.424 97 T N -0.155 114.447 114.554 0.080 0.000 2.746 97 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 97 T C 2.079 176.838 174.700 0.099 0.000 1.039 97 T CA 1.788 63.938 62.100 0.082 0.000 1.142 97 T CB -0.522 68.270 68.868 -0.128 0.000 0.866 97 T HN 0.614 nan 8.240 nan 0.000 0.444 98 S N 1.438 117.158 115.700 0.034 0.000 2.383 98 S HA -0.036 4.434 4.470 -0.000 0.000 0.227 98 S C 2.096 176.715 174.600 0.033 0.000 1.026 98 S CA 0.749 58.963 58.200 0.023 0.000 0.981 98 S CB -0.804 62.391 63.200 -0.008 0.000 0.818 98 S HN 0.477 nan 8.310 nan 0.000 0.472 99 I N 1.326 121.912 120.570 0.027 0.000 2.142 99 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 99 I C 2.389 178.537 176.117 0.051 0.000 1.078 99 I CA 1.368 62.681 61.300 0.022 0.000 1.343 99 I CB -0.323 37.675 38.000 -0.003 0.000 1.046 99 I HN 0.274 nan 8.210 nan 0.000 0.405 100 L N 0.055 121.330 121.223 0.085 0.000 2.376 100 L HA -0.119 4.221 4.340 -0.000 0.000 0.219 100 L C 2.241 179.162 176.870 0.084 0.000 1.133 100 L CA 0.808 55.690 54.840 0.069 0.000 0.816 100 L CB -0.387 41.694 42.059 0.037 0.000 0.933 100 L HN 0.255 nan 8.230 nan 0.000 0.449 101 E N -0.027 120.243 120.200 0.117 0.000 2.204 101 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 101 E C 1.746 178.383 176.600 0.061 0.000 0.989 101 E CA 0.824 57.283 56.400 0.098 0.000 0.824 101 E CB 0.241 29.994 29.700 0.089 0.000 0.756 101 E HN 0.400 nan 8.360 nan 0.000 0.477 102 K N -0.952 119.479 120.400 0.052 0.000 2.399 102 K HA 0.237 4.557 4.320 -0.000 0.000 0.196 102 K C 0.563 177.194 176.600 0.051 0.000 1.103 102 K CA 0.342 56.655 56.287 0.044 0.000 0.986 102 K CB 0.902 33.421 32.500 0.033 0.000 0.952 102 K HN 0.030 nan 8.250 nan 0.000 0.541 103 M N 0.623 120.255 119.600 0.054 0.000 2.593 103 M HA 0.266 4.746 4.480 -0.000 0.000 0.290 103 M C -1.478 174.857 176.300 0.058 0.000 1.244 103 M CA -0.924 54.416 55.300 0.066 0.000 0.857 103 M CB 2.309 34.954 32.600 0.075 0.000 1.738 103 M HN -0.200 nan 8.290 nan 0.000 0.461 104 D N 1.562 122.006 120.400 0.075 0.000 2.283 104 D HA 0.593 5.233 4.640 -0.000 0.000 0.248 104 D C -0.832 175.509 176.300 0.067 0.000 1.072 104 D CA 0.029 54.045 54.000 0.026 0.000 0.929 104 D CB 1.303 42.124 40.800 0.036 0.000 1.182 104 D HN 0.367 nan 8.370 nan 0.000 0.433 105 I N 1.416 121.994 120.570 0.014 0.000 2.433 105 I HA 0.317 4.487 4.170 -0.000 0.000 0.292 105 I C -0.688 175.430 176.117 0.001 0.000 1.001 105 I CA -0.731 60.648 61.300 0.132 0.000 1.119 105 I CB 1.096 39.181 38.000 0.142 0.000 1.289 105 I HN 0.077 nan 8.210 nan 0.000 0.438 106 F N 6.672 126.684 119.950 0.103 0.000 2.449 106 F HA 0.496 5.023 4.527 -0.000 0.000 0.342 106 F C -0.404 175.129 175.800 -0.445 0.000 1.127 106 F CA -0.768 57.149 58.000 -0.138 0.000 0.975 106 F CB 1.753 40.715 39.000 -0.065 0.000 1.146 106 F HN 0.215 nan 8.300 nan 0.000 0.444 107 L N 5.663 126.750 121.223 -0.228 0.000 2.333 107 L HA 0.641 4.981 4.340 -0.000 0.000 0.280 107 L C -1.616 175.066 176.870 -0.313 0.000 1.004 107 L CA -0.791 53.903 54.840 -0.243 0.000 0.820 107 L CB 1.453 43.551 42.059 0.065 0.000 1.247 107 L HN 0.544 nan 8.230 nan 0.000 0.416 108 L N 8.512 129.520 121.223 -0.358 0.000 2.335 108 L HA 0.627 4.967 4.340 -0.000 0.000 0.268 108 L C -2.124 174.734 176.870 -0.020 0.000 1.037 108 L CA -1.729 53.023 54.840 -0.147 0.000 0.895 108 L CB 1.183 43.225 42.059 -0.028 0.000 1.266 108 L HN 0.458 nan 8.230 nan 0.000 0.439 109 P HA -0.051 nan 4.420 nan 0.000 0.219 109 P C -0.341 176.972 177.300 0.023 0.000 1.150 109 P CA 0.939 64.062 63.100 0.039 0.000 0.814 109 P CB 0.233 31.972 31.700 0.065 0.000 0.787 110 V N -0.699 119.255 119.914 0.068 0.000 2.380 110 V HA 0.418 4.538 4.120 -0.000 0.000 0.268 110 V C 0.988 177.154 176.094 0.119 0.000 1.008 110 V CA -0.392 61.927 62.300 0.031 0.000 0.823 110 V CB 0.485 32.295 31.823 -0.021 0.000 1.053 110 V HN -0.037 nan 8.190 nan 0.000 0.446 111 A N 3.158 126.049 122.820 0.118 0.000 2.119 111 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 111 A C 1.154 178.828 177.584 0.150 0.000 1.153 111 A CA 1.186 53.319 52.037 0.160 0.000 0.692 111 A CB -0.168 18.950 19.000 0.196 0.000 0.799 111 A HN 0.663 nan 8.150 nan 0.000 0.458 112 N N -0.758 118.036 118.700 0.156 0.000 2.790 112 N HA 0.238 4.978 4.740 -0.000 0.000 0.256 112 N C -2.413 173.232 175.510 0.225 0.000 1.409 112 N CA -2.046 51.117 53.050 0.188 0.000 0.799 112 N CB 1.179 39.794 38.487 0.214 0.000 1.170 112 N HN -0.067 nan 8.380 nan 0.000 0.507 113 P HA -0.034 nan 4.420 nan 0.000 0.217 113 P C 0.449 177.892 177.300 0.239 0.000 1.150 113 P CA 1.050 64.285 63.100 0.225 0.000 0.832 113 P CB 0.614 32.451 31.700 0.229 0.000 0.787 114 D N -0.058 120.472 120.400 0.217 0.000 2.097 114 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 114 D C 2.359 178.789 176.300 0.216 0.000 0.984 114 D CA 1.709 55.826 54.000 0.194 0.000 0.826 114 D CB -1.215 39.693 40.800 0.179 0.000 0.973 114 D HN 0.170 nan 8.370 nan 0.000 0.460 115 G N -0.289 108.680 108.800 0.282 0.000 2.422 115 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 115 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 115 G C 1.595 176.762 174.900 0.444 0.000 1.146 115 G CA 0.562 45.907 45.100 0.408 0.000 0.769 115 G HN 0.239 nan 8.290 nan 0.000 0.547 116 Y N 1.274 121.723 120.300 0.248 0.000 2.145 116 Y HA -0.124 4.426 4.550 -0.000 0.000 0.286 116 Y C 2.933 178.930 175.900 0.162 0.000 1.145 116 Y CA 1.327 59.550 58.100 0.205 0.000 1.148 116 Y CB -0.469 38.053 38.460 0.103 0.000 0.981 116 Y HN 0.040 nan 8.280 nan 0.000 0.507 117 V N -0.542 119.453 119.914 0.136 0.000 2.324 117 V HA -0.353 3.767 4.120 -0.000 0.000 0.250 117 V C 2.052 178.170 176.094 0.041 0.000 1.060 117 V CA 2.279 64.591 62.300 0.020 0.000 1.042 117 V CB -1.114 30.752 31.823 0.071 0.000 0.650 117 V HN 0.524 nan 8.190 nan 0.000 0.450 118 Y N 1.877 122.166 120.300 -0.019 0.000 2.224 118 Y HA -0.266 4.284 4.550 -0.000 0.000 0.289 118 Y C 2.851 178.749 175.900 -0.004 0.000 1.146 118 Y CA 2.047 60.103 58.100 -0.075 0.000 1.182 118 Y CB -0.469 37.859 38.460 -0.220 0.000 0.983 118 Y HN 0.479 nan 8.280 nan 0.000 0.524 119 T N -2.474 112.204 114.554 0.206 0.000 3.035 119 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 119 T C 1.377 176.173 174.700 0.161 0.000 1.109 119 T CA 1.346 63.573 62.100 0.212 0.000 1.119 119 T CB -0.213 68.919 68.868 0.439 0.000 0.900 119 T HN 0.476 nan 8.240 nan 0.000 0.503 120 Q N 0.671 120.480 119.800 0.015 0.000 2.319 120 Q HA 0.133 4.473 4.340 -0.000 0.000 0.202 120 Q C 1.857 177.819 176.000 -0.063 0.000 0.896 120 Q CA 1.064 56.857 55.803 -0.017 0.000 0.942 120 Q CB 0.503 29.110 28.738 -0.219 0.000 1.083 120 Q HN 0.859 nan 8.270 nan 0.000 0.510 121 T N -3.885 110.594 114.554 -0.125 0.000 3.115 121 T HA 0.097 4.447 4.350 -0.000 0.000 0.256 121 T C 1.617 176.169 174.700 -0.246 0.000 0.970 121 T CA -0.174 61.830 62.100 -0.159 0.000 1.010 121 T CB 0.255 69.035 68.868 -0.145 0.000 1.151 121 T HN -0.104 nan 8.240 nan 0.000 0.479 122 Q N 1.157 120.683 119.800 -0.457 0.000 2.532 122 Q HA 0.403 4.743 4.340 -0.000 0.000 0.247 122 Q C 0.249 175.973 176.000 -0.460 0.000 0.872 122 Q CA 0.481 55.920 55.803 -0.605 0.000 0.963 122 Q CB 0.712 28.718 28.738 -1.220 0.000 1.159 122 Q HN 0.672 nan 8.270 nan 0.000 0.598 123 N N 0.396 118.848 118.700 -0.413 0.000 2.655 123 N HA 0.138 4.878 4.740 -0.000 0.000 0.277 123 N C 0.053 175.584 175.510 0.035 0.000 1.177 123 N CA -0.028 52.967 53.050 -0.091 0.000 0.882 123 N CB 1.060 39.614 38.487 0.112 0.000 1.481 123 N HN -0.194 nan 8.380 nan 0.000 0.547 124 R N 3.094 123.574 120.500 -0.034 0.000 2.200 124 R HA 0.064 4.404 4.340 -0.000 0.000 0.234 124 R C 0.542 176.769 176.300 -0.122 0.000 1.127 124 R CA 1.584 57.615 56.100 -0.115 0.000 0.989 124 R CB -0.106 30.053 30.300 -0.234 0.000 0.869 124 R HN 0.696 nan 8.270 nan 0.000 0.459 125 L N -0.297 120.909 121.223 -0.029 0.000 2.818 125 L HA 0.235 4.575 4.340 -0.000 0.000 0.243 125 L C 0.186 177.050 176.870 -0.011 0.000 1.185 125 L CA -0.732 54.045 54.840 -0.105 0.000 0.988 125 L CB -0.065 41.941 42.059 -0.089 0.000 1.292 125 L HN 0.191 nan 8.230 nan 0.000 0.519 126 W N 2.209 123.508 121.300 -0.002 0.000 2.210 126 W HA 0.017 4.677 4.660 -0.000 0.000 0.330 126 W C 1.017 177.547 176.519 0.017 0.000 1.334 126 W CA 0.299 57.684 57.345 0.067 0.000 1.227 126 W CB 0.857 30.478 29.460 0.268 0.000 1.178 126 W HN 0.228 nan 8.180 nan 0.000 0.560 127 R N 3.392 123.521 120.500 -0.619 0.000 2.225 127 R HA 0.086 4.426 4.340 -0.000 0.000 0.194 127 R C 0.559 176.729 176.300 -0.215 0.000 0.949 127 R CA 0.278 56.166 56.100 -0.353 0.000 1.088 127 R CB 0.201 30.234 30.300 -0.444 0.000 1.106 127 R HN 0.317 nan 8.270 nan 0.000 0.566 128 K N 0.877 120.910 120.400 -0.611 0.000 2.155 128 K HA 0.104 4.424 4.320 -0.000 0.000 0.237 128 K C 0.359 177.125 176.600 0.277 0.000 1.040 128 K CA 0.182 56.387 56.287 -0.136 0.000 0.912 128 K CB 0.725 33.073 32.500 -0.253 0.000 1.137 128 K HN 0.142 nan 8.250 nan 0.000 0.498 129 T N -0.961 113.737 114.554 0.240 0.000 2.681 129 T HA 0.127 4.477 4.350 -0.000 0.000 0.333 129 T C 0.787 175.655 174.700 0.280 0.000 1.049 129 T CA -0.314 61.929 62.100 0.238 0.000 1.002 129 T CB 0.426 69.350 68.868 0.094 0.000 1.161 129 T HN 0.372 nan 8.240 nan 0.000 0.519 130 R N 0.503 121.040 120.500 0.062 0.000 2.652 130 R HA 0.258 4.598 4.340 -0.000 0.000 0.372 130 R C 0.512 176.583 176.300 -0.382 0.000 1.104 130 R CA -0.230 55.801 56.100 -0.114 0.000 1.072 130 R CB -0.211 29.997 30.300 -0.154 0.000 1.367 130 R HN 0.851 nan 8.270 nan 0.000 0.577 131 S N 0.791 116.137 115.700 -0.591 0.000 2.585 131 S HA 0.352 4.822 4.470 -0.000 0.000 0.273 131 S C 0.347 174.507 174.600 -0.734 0.000 1.339 131 S CA -0.592 56.774 58.200 -1.389 0.000 1.028 131 S CB 1.537 64.229 63.200 -0.848 0.000 0.906 131 S HN -0.023 nan 8.310 nan 0.000 0.528 132 R N 2.108 122.200 120.500 -0.680 0.000 2.297 132 R HA 0.351 4.691 4.340 -0.000 0.000 0.308 132 R C -0.634 175.622 176.300 -0.074 0.000 1.029 132 R CA -0.564 55.429 56.100 -0.178 0.000 0.929 132 R CB 0.003 30.320 30.300 0.028 0.000 1.046 132 R HN 0.636 nan 8.270 nan 0.000 0.461 133 N N 5.260 123.938 118.700 -0.037 0.000 2.448 133 N HA 0.085 4.825 4.740 -0.000 0.000 0.250 133 N C -1.603 173.916 175.510 0.014 0.000 1.136 133 N CA -1.355 51.695 53.050 0.000 0.000 0.953 133 N CB 1.102 39.563 38.487 -0.042 0.000 1.251 133 N HN 0.282 nan 8.380 nan 0.000 0.502 134 P HA -0.049 nan 4.420 nan 0.000 0.221 134 P C 1.046 178.367 177.300 0.035 0.000 1.150 134 P CA 0.866 63.994 63.100 0.047 0.000 0.800 134 P CB 0.349 32.089 31.700 0.067 0.000 0.787 135 G N -1.238 107.583 108.800 0.034 0.000 3.181 135 G HA2 0.145 4.105 3.960 -0.000 0.000 0.219 135 G HA3 0.145 4.105 3.960 -0.000 0.000 0.219 135 G C 0.219 175.115 174.900 -0.007 0.000 1.182 135 G CA 0.170 45.283 45.100 0.021 0.000 0.791 135 G HN 0.422 nan 8.290 nan 0.000 0.537 136 S N -1.212 114.477 115.700 -0.019 0.000 2.550 136 S HA 0.418 4.888 4.470 -0.000 0.000 0.270 136 S C 1.064 175.643 174.600 -0.035 0.000 1.145 136 S CA 0.316 58.488 58.200 -0.047 0.000 0.852 136 S CB 1.344 64.480 63.200 -0.107 0.000 1.119 136 S HN 0.300 nan 8.310 nan 0.000 0.465 137 S N 1.324 117.003 115.700 -0.034 0.000 2.527 137 S HA 0.158 4.628 4.470 -0.000 0.000 0.222 137 S C 0.862 175.449 174.600 -0.023 0.000 0.985 137 S CA -0.035 58.152 58.200 -0.021 0.000 0.921 137 S CB -0.733 62.459 63.200 -0.014 0.000 0.772 137 S HN 0.631 nan 8.310 nan 0.000 0.529 138 c N 1.728 120.302 118.600 -0.043 0.000 2.595 138 c HA 0.551 5.121 4.570 -0.000 0.000 0.384 138 c C 0.504 174.588 174.090 -0.011 0.000 1.289 138 c CA -0.746 55.568 56.329 -0.025 0.000 2.372 138 c CB -0.425 42.042 42.510 -0.071 0.000 2.593 138 c HN 0.549 nan 8.230 nan 0.000 0.639 139 I N 1.909 122.521 120.570 0.069 0.000 2.530 139 I HA 0.630 4.800 4.170 -0.000 0.000 0.297 139 I C 0.526 176.770 176.117 0.211 0.000 1.011 139 I CA 0.421 61.761 61.300 0.067 0.000 1.107 139 I CB 1.361 39.341 38.000 -0.033 0.000 1.285 139 I HN 0.970 nan 8.210 nan 0.000 0.436 140 G N 3.972 112.838 108.800 0.110 0.000 2.705 140 G HA2 0.234 4.194 3.960 -0.000 0.000 0.686 140 G HA3 0.234 4.194 3.960 -0.000 0.000 0.686 140 G C -1.089 173.921 174.900 0.184 0.000 1.285 140 G CA -0.349 44.851 45.100 0.166 0.000 0.800 140 G HN 1.031 nan 8.290 nan 0.000 0.611 141 A N 0.552 123.451 122.820 0.131 0.000 2.384 141 A HA 0.769 5.089 4.320 -0.000 0.000 0.312 141 A C -0.234 177.385 177.584 0.058 0.000 1.113 141 A CA 0.083 52.187 52.037 0.110 0.000 0.779 141 A CB 1.790 20.753 19.000 -0.061 0.000 1.307 141 A HN 1.177 nan 8.150 nan 0.000 0.436 142 D N 1.956 122.382 120.400 0.043 0.000 2.338 142 D HA 0.219 4.859 4.640 -0.000 0.000 0.255 142 D C -1.361 175.042 176.300 0.172 0.000 1.237 142 D CA -1.743 52.327 54.000 0.117 0.000 0.883 142 D CB 1.141 42.001 40.800 0.100 0.000 1.087 142 D HN 0.175 nan 8.370 nan 0.000 0.485 143 P HA -0.113 nan 4.420 nan 0.000 0.222 143 P C 0.649 178.162 177.300 0.355 0.000 1.147 143 P CA 0.565 63.769 63.100 0.174 0.000 0.790 143 P CB 0.410 32.199 31.700 0.148 0.000 0.780 144 N N -0.233 118.714 118.700 0.411 0.000 2.313 144 N HA 0.021 4.761 4.740 -0.000 0.000 0.207 144 N C 0.944 176.695 175.510 0.401 0.000 1.141 144 N CA 0.080 53.410 53.050 0.466 0.000 0.830 144 N CB -0.202 38.509 38.487 0.374 0.000 1.008 144 N HN -0.131 nan 8.380 nan 0.000 0.481 145 R N -0.853 119.855 120.500 0.347 0.000 2.535 145 R HA 0.230 4.570 4.340 -0.000 0.000 0.323 145 R C 0.522 177.018 176.300 0.327 0.000 0.979 145 R CA -0.072 56.188 56.100 0.267 0.000 1.120 145 R CB -0.284 30.099 30.300 0.138 0.000 1.306 145 R HN 0.278 nan 8.270 nan 0.000 0.540 146 N N -0.253 118.668 118.700 0.369 0.000 2.236 146 N HA 0.010 4.750 4.740 -0.000 0.000 0.196 146 N C -0.540 175.051 175.510 0.135 0.000 1.114 146 N CA -0.120 53.086 53.050 0.261 0.000 0.859 146 N CB 0.458 38.929 38.487 -0.026 0.000 0.982 146 N HN -0.023 nan 8.380 nan 0.000 0.493 147 W N 1.329 122.684 121.300 0.092 0.000 2.215 147 W HA 0.251 4.911 4.660 -0.000 0.000 0.342 147 W C 0.861 177.440 176.519 0.100 0.000 1.237 147 W CA -0.621 56.701 57.345 -0.040 0.000 1.283 147 W CB 0.044 29.470 29.460 -0.056 0.000 1.131 147 W HN -0.056 nan 8.180 nan 0.000 0.606 148 N N 1.627 120.494 118.700 0.280 0.000 3.050 148 N HA 0.349 5.089 4.740 -0.000 0.000 0.289 148 N C -1.266 174.496 175.510 0.420 0.000 1.209 148 N CA 0.012 53.242 53.050 0.300 0.000 1.154 148 N CB -0.479 38.145 38.487 0.227 0.000 1.444 148 N HN 0.423 nan 8.380 nan 0.000 0.529 149 A N 1.243 124.262 122.820 0.332 0.000 2.745 149 A HA 0.438 4.758 4.320 -0.000 0.000 0.301 149 A C 0.469 177.979 177.584 -0.123 0.000 1.188 149 A CA -0.634 51.511 52.037 0.179 0.000 0.746 149 A CB 0.103 19.335 19.000 0.386 0.000 1.207 149 A HN 0.342 nan 8.150 nan 0.000 0.432 150 S N 0.681 116.161 115.700 -0.367 0.000 3.559 150 S HA -0.213 4.257 4.470 -0.000 0.000 0.369 150 S C 0.151 174.675 174.600 -0.128 0.000 0.987 150 S CA 0.808 58.766 58.200 -0.404 0.000 1.187 150 S CB -1.791 60.894 63.200 -0.858 0.000 0.914 150 S HN 1.613 nan 8.310 nan 0.000 0.480 151 F N 1.603 121.482 119.950 -0.118 0.000 2.629 151 F HA 0.324 4.851 4.527 -0.000 0.000 0.377 151 F C 1.159 176.863 175.800 -0.160 0.000 1.101 151 F CA 1.090 59.037 58.000 -0.088 0.000 1.301 151 F CB 0.084 39.041 39.000 -0.071 0.000 1.062 151 F HN 0.877 nan 8.300 nan 0.000 0.583 152 A N 3.144 125.272 122.820 -1.154 0.000 3.153 152 A HA -0.178 4.142 4.320 -0.000 0.000 0.265 152 A C 0.999 178.354 177.584 -0.382 0.000 1.212 152 A CA 0.960 52.386 52.037 -1.018 0.000 1.018 152 A CB -2.595 15.684 19.000 -1.203 0.000 1.130 152 A HN 1.706 nan 8.150 nan 0.000 0.873 153 G N -0.654 108.001 108.800 -0.241 0.000 2.684 153 G HA2 0.385 4.345 3.960 -0.000 0.000 0.255 153 G HA3 0.385 4.345 3.960 -0.000 0.000 0.255 153 G C 0.044 174.914 174.900 -0.050 0.000 1.219 153 G CA 0.185 45.218 45.100 -0.111 0.000 0.901 153 G HN 0.895 nan 8.290 nan 0.000 0.548 154 K N -0.514 119.880 120.400 -0.011 0.000 2.530 154 K HA 0.286 4.606 4.320 -0.000 0.000 0.280 154 K C 1.091 177.712 176.600 0.035 0.000 1.004 154 K CA 1.247 57.541 56.287 0.012 0.000 1.071 154 K CB -0.164 32.349 32.500 0.021 0.000 0.876 154 K HN 1.251 nan 8.250 nan 0.000 0.487 155 G N 1.399 110.215 108.800 0.025 0.000 2.148 155 G HA2 0.007 3.967 3.960 -0.000 0.000 0.157 155 G HA3 0.007 3.967 3.960 -0.000 0.000 0.157 155 G C -0.256 174.652 174.900 0.014 0.000 1.012 155 G CA -0.151 44.971 45.100 0.037 0.000 0.677 155 G HN 0.959 nan 8.290 nan 0.000 0.506 156 A N -1.224 121.598 122.820 0.003 0.000 2.534 156 A HA 0.978 5.298 4.320 -0.000 0.000 0.300 156 A C -0.284 177.300 177.584 -0.000 0.000 1.223 156 A CA 0.405 52.443 52.037 0.002 0.000 0.666 156 A CB 1.150 20.173 19.000 0.040 0.000 1.316 156 A HN 1.694 nan 8.150 nan 0.000 0.468 157 S N -1.203 114.470 115.700 -0.044 0.000 2.542 157 S HA 0.500 4.970 4.470 -0.000 0.000 0.293 157 S C -0.702 173.774 174.600 -0.206 0.000 1.089 157 S CA -0.489 57.671 58.200 -0.066 0.000 0.961 157 S CB 1.359 64.523 63.200 -0.060 0.000 1.062 157 S HN 0.492 nan 8.310 nan 0.000 0.483 158 D N 1.771 122.132 120.400 -0.065 0.000 2.347 158 D HA 0.036 4.676 4.640 -0.000 0.000 0.213 158 D C 0.173 176.448 176.300 -0.041 0.000 0.985 158 D CA 0.477 54.467 54.000 -0.016 0.000 0.879 158 D CB -0.094 40.767 40.800 0.102 0.000 0.919 158 D HN 0.447 nan 8.370 nan 0.000 0.526 159 N N 1.383 120.024 118.700 -0.099 0.000 2.411 159 N HA 0.050 4.790 4.740 -0.000 0.000 0.259 159 N C -1.954 173.281 175.510 -0.458 0.000 1.103 159 N CA -1.679 51.250 53.050 -0.201 0.000 0.954 159 N CB 1.814 40.224 38.487 -0.129 0.000 1.085 159 N HN -0.190 nan 8.380 nan 0.000 0.485 160 P HA -0.008 nan 4.420 nan 0.000 0.225 160 P C 0.695 177.671 177.300 -0.540 0.000 1.148 160 P CA 0.818 63.179 63.100 -1.231 0.000 0.779 160 P CB 0.238 31.438 31.700 -0.834 0.000 0.780 161 c N -1.914 116.501 118.600 -0.308 0.000 2.539 161 c HA 0.152 4.722 4.570 -0.000 0.000 0.268 161 c C 1.549 175.554 174.090 -0.141 0.000 1.395 161 c CA -0.056 56.174 56.329 -0.166 0.000 1.757 161 c CB -1.480 40.961 42.510 -0.114 0.000 1.851 161 c HN 0.222 nan 8.230 nan 0.000 0.545 162 S N 1.069 116.682 115.700 -0.146 0.000 2.576 162 S HA 0.056 4.526 4.470 -0.000 0.000 0.276 162 S C 1.194 175.724 174.600 -0.116 0.000 1.339 162 S CA -0.093 58.041 58.200 -0.110 0.000 1.039 162 S CB 0.513 63.664 63.200 -0.083 0.000 0.902 162 S HN 0.421 nan 8.310 nan 0.000 0.516 163 E N 2.060 122.167 120.200 -0.154 0.000 2.338 163 E HA -0.065 4.285 4.350 -0.000 0.000 0.197 163 E C 1.298 177.805 176.600 -0.154 0.000 1.007 163 E CA 0.940 57.215 56.400 -0.209 0.000 0.849 163 E CB -0.175 29.389 29.700 -0.228 0.000 0.774 163 E HN 0.633 nan 8.360 nan 0.000 0.506 164 V N -1.903 117.949 119.914 -0.103 0.000 3.006 164 V HA 0.201 4.321 4.120 -0.000 0.000 0.357 164 V C 0.140 176.216 176.094 -0.030 0.000 1.377 164 V CA -0.950 61.308 62.300 -0.070 0.000 1.198 164 V CB -1.078 30.677 31.823 -0.114 0.000 1.216 164 V HN -0.044 nan 8.190 nan 0.000 0.520 165 Y N 3.688 123.888 120.300 -0.166 0.000 2.721 165 Y HA 0.175 4.725 4.550 -0.000 0.000 0.329 165 Y C 1.642 177.443 175.900 -0.165 0.000 1.211 165 Y CA 0.180 58.136 58.100 -0.240 0.000 1.512 165 Y CB 0.514 38.855 38.460 -0.199 0.000 1.249 165 Y HN 0.698 nan 8.280 nan 0.000 0.549 166 H N 3.469 122.243 119.070 -0.494 0.000 2.529 166 H HA 0.360 4.916 4.556 -0.000 0.000 0.277 166 H C 1.096 176.118 175.328 -0.511 0.000 0.999 166 H CA -0.171 55.603 56.048 -0.456 0.000 1.256 166 H CB -0.533 28.883 29.762 -0.577 0.000 1.402 166 H HN 0.910 nan 8.280 nan 0.000 0.566 167 G N 0.402 108.447 108.800 -1.259 0.000 2.746 167 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.685 167 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.685 167 G C -1.828 173.066 174.900 -0.009 0.000 1.350 167 G CA -0.398 44.311 45.100 -0.651 0.000 0.837 167 G HN 0.254 nan 8.290 nan 0.000 0.564 168 P HA 0.041 nan 4.420 nan 0.000 0.221 168 P C 0.490 177.922 177.300 0.220 0.000 1.150 168 P CA 2.221 65.433 63.100 0.187 0.000 0.800 168 P CB -0.081 31.707 31.700 0.147 0.000 0.787 169 H N -3.802 115.261 119.070 -0.013 0.000 3.003 169 H HA 0.679 5.234 4.556 -0.000 0.000 0.327 169 H C -1.125 173.588 175.328 -1.024 0.000 1.353 169 H CA -1.167 54.621 56.048 -0.433 0.000 1.142 169 H CB 0.048 29.659 29.762 -0.252 0.000 1.864 169 H HN -0.013 nan 8.280 nan 0.000 0.529 170 A N 1.187 123.125 122.820 -1.469 0.000 2.511 170 A HA 0.237 4.557 4.320 -0.000 0.000 0.242 170 A C 0.420 177.720 177.584 -0.473 0.000 1.069 170 A CA 0.323 51.683 52.037 -1.128 0.000 0.763 170 A CB -0.643 17.914 19.000 -0.738 0.000 1.001 170 A HN 0.894 nan 8.150 nan 0.000 0.498 171 N N 0.401 118.835 118.700 -0.443 0.000 2.753 171 N HA -0.235 4.505 4.740 -0.000 0.000 0.251 171 N C 1.192 176.521 175.510 -0.302 0.000 1.097 171 N CA 1.457 54.274 53.050 -0.389 0.000 0.786 171 N CB -1.826 36.465 38.487 -0.326 0.000 1.137 171 N HN 1.070 nan 8.380 nan 0.000 0.566 172 S N -1.035 114.395 115.700 -0.451 0.000 2.419 172 S HA -0.111 4.359 4.470 -0.000 0.000 0.233 172 S C 0.601 175.050 174.600 -0.251 0.000 1.016 172 S CA 0.688 58.574 58.200 -0.524 0.000 0.974 172 S CB 0.178 62.845 63.200 -0.889 0.000 0.786 172 S HN 0.203 nan 8.310 nan 0.000 0.492 173 E N 1.653 121.705 120.200 -0.246 0.000 2.180 173 E HA 0.226 4.576 4.350 -0.000 0.000 0.283 173 E C 0.886 177.382 176.600 -0.174 0.000 1.061 173 E CA -0.187 56.116 56.400 -0.162 0.000 0.861 173 E CB 1.484 31.094 29.700 -0.151 0.000 1.056 173 E HN 0.122 nan 8.360 nan 0.000 0.407 174 V N 3.939 123.794 119.914 -0.099 0.000 2.568 174 V HA -0.305 3.815 4.120 -0.000 0.000 0.253 174 V C 1.335 177.304 176.094 -0.210 0.000 1.072 174 V CA 2.047 64.246 62.300 -0.167 0.000 1.084 174 V CB 0.021 31.726 31.823 -0.196 0.000 0.676 174 V HN 0.537 nan 8.190 nan 0.000 0.469 175 E N -0.228 119.884 120.200 -0.145 0.000 2.110 175 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 175 E C 2.100 178.577 176.600 -0.205 0.000 0.988 175 E CA 1.639 57.968 56.400 -0.119 0.000 0.804 175 E CB -0.369 29.318 29.700 -0.022 0.000 0.745 175 E HN 0.542 nan 8.360 nan 0.000 0.458 176 V N 0.910 120.618 119.914 -0.343 0.000 2.323 176 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 176 V C 2.284 177.954 176.094 -0.708 0.000 1.041 176 V CA 1.673 63.551 62.300 -0.703 0.000 1.025 176 V CB -0.400 30.849 31.823 -0.957 0.000 0.656 176 V HN 0.199 nan 8.190 nan 0.000 0.451 177 K N 0.248 120.350 120.400 -0.497 0.000 2.113 177 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 177 K C 2.308 178.732 176.600 -0.293 0.000 1.047 177 K CA 1.908 57.963 56.287 -0.386 0.000 0.928 177 K CB -0.195 32.153 32.500 -0.254 0.000 0.716 177 K HN 0.457 nan 8.250 nan 0.000 0.446 178 S N 0.300 115.857 115.700 -0.239 0.000 2.370 178 S HA -0.125 4.345 4.470 -0.000 0.000 0.226 178 S C 1.932 176.467 174.600 -0.108 0.000 1.033 178 S CA 1.426 59.546 58.200 -0.133 0.000 1.011 178 S CB -0.149 62.986 63.200 -0.108 0.000 0.852 178 S HN 0.140 nan 8.310 nan 0.000 0.457 179 V N 1.273 121.060 119.914 -0.211 0.000 2.379 179 V HA -0.095 4.025 4.120 -0.000 0.000 0.245 179 V C 2.321 178.202 176.094 -0.354 0.000 1.044 179 V CA 1.185 63.313 62.300 -0.287 0.000 1.036 179 V CB -0.704 30.981 31.823 -0.231 0.000 0.664 179 V HN 0.322 nan 8.190 nan 0.000 0.453 180 V N 0.391 120.020 119.914 -0.474 0.000 2.287 180 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 180 V C 2.317 178.319 176.094 -0.153 0.000 1.053 180 V CA 2.326 64.339 62.300 -0.478 0.000 1.027 180 V CB -0.719 30.690 31.823 -0.689 0.000 0.646 180 V HN 0.553 nan 8.190 nan 0.000 0.447 181 D N -0.753 119.572 120.400 -0.125 0.000 2.117 181 D HA -0.178 4.461 4.640 -0.000 0.000 0.197 181 D C 1.878 178.196 176.300 0.031 0.000 0.987 181 D CA 1.297 55.282 54.000 -0.026 0.000 0.829 181 D CB -0.323 40.463 40.800 -0.023 0.000 0.961 181 D HN 0.466 nan 8.370 nan 0.000 0.460 182 F N 1.106 121.006 119.950 -0.084 0.000 2.102 182 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 182 F C 2.241 178.031 175.800 -0.016 0.000 1.105 182 F CA 1.163 59.147 58.000 -0.027 0.000 1.239 182 F CB -0.099 38.888 39.000 -0.021 0.000 0.991 182 F HN -0.134 nan 8.300 nan 0.000 0.474 183 I N -0.059 120.546 120.570 0.059 0.000 2.252 183 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 183 I C 2.305 178.533 176.117 0.186 0.000 1.102 183 I CA 1.370 62.649 61.300 -0.034 0.000 1.385 183 I CB -0.580 37.280 38.000 -0.234 0.000 1.064 183 I HN 0.281 nan 8.210 nan 0.000 0.414 184 Q N 0.425 120.324 119.800 0.166 0.000 2.119 184 Q HA -0.251 4.089 4.340 -0.000 0.000 0.201 184 Q C 2.165 178.225 176.000 0.100 0.000 0.972 184 Q CA 1.332 57.232 55.803 0.162 0.000 0.847 184 Q CB -0.095 28.737 28.738 0.156 0.000 0.903 184 Q HN 0.238 nan 8.270 nan 0.000 0.433 185 K N 0.365 120.784 120.400 0.032 0.000 2.097 185 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 185 K C 2.016 178.607 176.600 -0.014 0.000 1.049 185 K CA 1.313 57.584 56.287 -0.027 0.000 0.933 185 K CB -0.274 32.159 32.500 -0.111 0.000 0.717 185 K HN 0.275 nan 8.250 nan 0.000 0.442 186 H N -0.712 118.306 119.070 -0.086 0.000 2.276 186 H HA -0.070 4.486 4.556 -0.000 0.000 0.301 186 H C 1.203 176.576 175.328 0.076 0.000 1.073 186 H CA 2.314 58.358 56.048 -0.006 0.000 1.311 186 H CB -0.076 29.776 29.762 0.150 0.000 1.379 186 H HN 0.399 nan 8.280 nan 0.000 0.494 187 G N 0.693 109.712 108.800 0.366 0.000 2.179 187 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 187 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 187 G C 0.438 175.497 174.900 0.265 0.000 0.977 187 G CA 0.668 45.906 45.100 0.231 0.000 0.641 187 G HN 0.592 nan 8.290 nan 0.000 0.533 188 N N -0.573 118.429 118.700 0.504 0.000 2.536 188 N HA 0.375 5.115 4.740 -0.000 0.000 0.286 188 N C -0.284 175.409 175.510 0.305 0.000 1.577 188 N CA -0.598 52.655 53.050 0.338 0.000 0.883 188 N CB 0.043 38.638 38.487 0.180 0.000 1.390 188 N HN 0.132 nan 8.380 nan 0.000 0.491 189 F N 0.880 121.000 119.950 0.284 0.000 2.484 189 F HA 0.263 4.790 4.527 -0.000 0.000 0.360 189 F C 1.737 177.678 175.800 0.235 0.000 1.101 189 F CA 0.115 58.252 58.000 0.227 0.000 1.251 189 F CB 1.167 40.305 39.000 0.230 0.000 1.132 189 F HN -0.089 nan 8.300 nan 0.000 0.570 190 K N 1.680 122.318 120.400 0.396 0.000 2.399 190 K HA 0.309 4.629 4.320 -0.000 0.000 0.196 190 K C 0.587 177.494 176.600 0.512 0.000 1.103 190 K CA 0.294 56.812 56.287 0.385 0.000 0.986 190 K CB 0.923 33.627 32.500 0.341 0.000 0.952 190 K HN 0.708 nan 8.250 nan 0.000 0.541 191 G N 0.678 109.818 108.800 0.567 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 -1.934 173.377 174.900 0.686 0.000 1.369 191 G CA -0.433 45.038 45.100 0.617 0.000 0.937 191 G HN -0.009 nan 8.290 nan 0.000 0.485 192 F N 1.613 121.845 119.950 0.470 0.000 2.653 192 F HA 0.659 5.186 4.527 -0.000 0.000 0.327 192 F C -1.183 174.882 175.800 0.442 0.000 1.195 192 F CA -1.041 57.230 58.000 0.451 0.000 0.993 192 F CB 1.383 40.563 39.000 0.300 0.000 1.259 192 F HN 0.336 nan 8.300 nan 0.000 0.478 193 I N 4.970 125.716 120.570 0.293 0.000 2.436 193 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 193 I C -1.301 174.976 176.117 0.267 0.000 1.010 193 I CA -0.695 60.853 61.300 0.415 0.000 1.098 193 I CB 1.883 40.116 38.000 0.389 0.000 1.266 193 I HN 0.405 nan 8.210 nan 0.000 0.434 194 D N 7.242 127.903 120.400 0.436 0.000 2.381 194 D HA 0.453 5.093 4.640 -0.000 0.000 0.235 194 D C -0.893 175.685 176.300 0.462 0.000 1.068 194 D CA -0.257 53.987 54.000 0.407 0.000 0.832 194 D CB 1.314 42.453 40.800 0.565 0.000 1.101 194 D HN 0.315 nan 8.370 nan 0.000 0.515 195 L N 4.672 126.061 121.223 0.277 0.000 2.264 195 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 195 L C 0.579 177.557 176.870 0.179 0.000 1.044 195 L CA -0.523 54.482 54.840 0.274 0.000 0.807 195 L CB 0.934 43.080 42.059 0.145 0.000 1.192 195 L HN 0.364 nan 8.230 nan 0.000 0.425 196 H N 1.189 120.447 119.070 0.313 0.000 2.869 196 H HA 0.673 5.229 4.556 -0.000 0.000 0.342 196 H C -0.640 174.889 175.328 0.336 0.000 1.250 196 H CA -0.609 55.636 56.048 0.328 0.000 1.217 196 H CB 2.469 32.425 29.762 0.325 0.000 1.917 196 H HN 0.621 nan 8.280 nan 0.000 0.586 197 S N -0.059 115.949 115.700 0.513 0.000 2.607 197 S HA 0.567 5.037 4.470 -0.000 0.000 0.273 197 S C -1.537 173.275 174.600 0.352 0.000 1.148 197 S CA -0.822 57.633 58.200 0.425 0.000 0.833 197 S CB 1.962 65.431 63.200 0.449 0.000 1.130 197 S HN 0.617 nan 8.310 nan 0.000 0.470 198 Y N -1.560 118.781 120.300 0.068 0.000 2.633 198 Y HA 0.916 5.466 4.550 -0.000 0.000 0.339 198 Y C 0.507 176.376 175.900 -0.053 0.000 1.045 198 Y CA -0.914 57.182 58.100 -0.006 0.000 1.098 198 Y CB 1.568 39.953 38.460 -0.125 0.000 1.296 198 Y HN 0.729 nan 8.280 nan 0.000 0.494 199 S N -0.932 114.784 115.700 0.027 0.000 4.530 199 S HA -0.097 4.373 4.470 -0.000 0.000 0.055 199 S C -0.557 173.929 174.600 -0.191 0.000 0.852 199 S CA 0.021 58.178 58.200 -0.071 0.000 1.039 199 S CB -0.832 62.254 63.200 -0.190 0.000 0.509 199 S HN 0.803 nan 8.310 nan 0.000 0.791 200 Q N 0.446 120.043 119.800 -0.339 0.000 2.456 200 Q HA -0.152 4.188 4.340 -0.000 0.000 0.325 200 Q C -1.048 174.439 176.000 -0.854 0.000 1.453 200 Q CA 0.833 56.034 55.803 -1.004 0.000 0.848 200 Q CB -1.394 26.884 28.738 -0.766 0.000 1.123 200 Q HN 0.609 nan 8.270 nan 0.000 0.374 201 L N 0.752 121.714 121.223 -0.434 0.000 2.401 201 L HA 0.718 5.058 4.340 -0.000 0.000 0.266 201 L C -0.827 176.115 176.870 0.121 0.000 0.991 201 L CA -1.216 53.568 54.840 -0.093 0.000 0.818 201 L CB 1.595 43.580 42.059 -0.124 0.000 1.321 201 L HN 0.120 nan 8.230 nan 0.000 0.413 202 L N 3.468 124.736 121.223 0.074 0.000 2.342 202 L HA 0.642 4.982 4.340 -0.000 0.000 0.276 202 L C -0.814 176.034 176.870 -0.038 0.000 0.997 202 L CA -0.040 54.724 54.840 -0.125 0.000 0.838 202 L CB 1.270 43.127 42.059 -0.337 0.000 1.224 202 L HN 0.561 nan 8.230 nan 0.000 0.416 203 M N 4.737 124.325 119.600 -0.020 0.000 2.716 203 M HA 0.592 5.072 4.480 -0.000 0.000 0.307 203 M C -1.323 174.975 176.300 -0.004 0.000 1.223 203 M CA -0.722 54.503 55.300 -0.125 0.000 0.871 203 M CB 2.391 34.861 32.600 -0.216 0.000 1.739 203 M HN 0.565 nan 8.290 nan 0.000 0.475 204 Y N -1.949 118.275 120.300 -0.128 0.000 2.669 204 Y HA 0.820 5.370 4.550 -0.000 0.000 0.335 204 Y C -3.090 172.568 175.900 -0.404 0.000 1.116 204 Y CA -3.162 54.742 58.100 -0.327 0.000 1.081 204 Y CB -0.356 37.838 38.460 -0.444 0.000 1.297 204 Y HN 0.342 nan 8.280 nan 0.000 0.484 205 P HA 0.123 nan 4.420 nan 0.000 0.269 205 P C -1.434 175.530 177.300 -0.560 0.000 1.215 205 P CA 0.374 63.084 63.100 -0.650 0.000 0.780 205 P CB 0.312 31.267 31.700 -1.242 0.000 0.898 206 Y N -0.732 119.382 120.300 -0.310 0.000 2.457 206 Y HA 0.470 5.020 4.550 -0.000 0.000 0.333 206 Y C 1.804 177.526 175.900 -0.296 0.000 1.119 206 Y CA -0.156 57.714 58.100 -0.382 0.000 1.143 206 Y CB 1.337 39.451 38.460 -0.576 0.000 1.230 206 Y HN 0.410 nan 8.280 nan 0.000 0.469 207 G N 0.124 108.903 108.800 -0.035 0.000 2.545 207 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.212 207 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.212 207 G C 0.958 175.898 174.900 0.066 0.000 1.144 207 G CA 0.242 45.349 45.100 0.011 0.000 0.813 207 G HN 0.835 nan 8.290 nan 0.000 0.531 208 Y N -0.282 120.076 120.300 0.097 0.000 2.490 208 Y HA 0.590 5.140 4.550 -0.000 0.000 0.281 208 Y C 0.653 176.540 175.900 -0.023 0.000 1.174 208 Y CA -0.109 58.008 58.100 0.029 0.000 1.295 208 Y CB 0.124 38.593 38.460 0.015 0.000 1.062 208 Y HN 0.101 nan 8.280 nan 0.000 0.522 209 S N -0.115 115.516 115.700 -0.114 0.000 2.550 209 S HA 0.350 4.820 4.470 -0.000 0.000 0.270 209 S C 0.257 174.817 174.600 -0.067 0.000 1.145 209 S CA -0.304 57.850 58.200 -0.077 0.000 0.852 209 S CB 1.307 64.397 63.200 -0.183 0.000 1.119 209 S HN 0.455 nan 8.310 nan 0.000 0.465 210 V N 1.495 121.393 119.914 -0.027 0.000 3.573 210 V HA 0.290 4.410 4.120 -0.000 0.000 0.270 210 V C 0.877 176.970 176.094 -0.001 0.000 1.221 210 V CA 0.673 62.964 62.300 -0.015 0.000 1.163 210 V CB -1.495 30.323 31.823 -0.008 0.000 0.847 210 V HN 0.796 nan 8.190 nan 0.000 0.468 211 K N 1.861 122.256 120.400 -0.009 0.000 2.485 211 K HA 0.026 4.346 4.320 -0.000 0.000 0.277 211 K C 0.105 176.761 176.600 0.093 0.000 0.990 211 K CA -0.259 56.041 56.287 0.022 0.000 0.994 211 K CB 0.536 33.028 32.500 -0.014 0.000 0.906 211 K HN 0.388 nan 8.250 nan 0.000 0.488 212 K N 2.077 122.527 120.400 0.083 0.000 2.416 212 K HA 0.082 4.402 4.320 -0.000 0.000 0.283 212 K C -0.356 176.329 176.600 0.142 0.000 1.037 212 K CA -0.217 56.123 56.287 0.089 0.000 0.995 212 K CB 0.572 33.106 32.500 0.056 0.000 0.938 212 K HN 0.737 nan 8.250 nan 0.000 0.475 213 A N 6.204 129.066 122.820 0.071 0.000 2.531 213 A HA 0.130 4.450 4.320 -0.000 0.000 0.236 213 A C -1.698 175.927 177.584 0.068 0.000 1.062 213 A CA -1.119 50.917 52.037 -0.001 0.000 0.760 213 A CB -0.041 18.662 19.000 -0.494 0.000 0.995 213 A HN 0.703 nan 8.150 nan 0.000 0.501 214 P HA -0.131 nan 4.420 nan 0.000 0.217 214 P C 0.322 177.654 177.300 0.054 0.000 1.148 214 P CA 1.439 64.600 63.100 0.102 0.000 0.828 214 P CB 0.178 31.941 31.700 0.104 0.000 0.783 215 D N -1.672 118.764 120.400 0.060 0.000 2.388 215 D HA 0.195 4.835 4.640 -0.000 0.000 0.221 215 D C 1.558 177.770 176.300 -0.146 0.000 1.133 215 D CA 0.063 54.052 54.000 -0.020 0.000 0.831 215 D CB 0.191 41.003 40.800 0.019 0.000 0.962 215 D HN 0.053 nan 8.370 nan 0.000 0.502 216 A N 1.173 123.900 122.820 -0.157 0.000 1.917 216 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 216 A C 2.079 179.507 177.584 -0.260 0.000 1.182 216 A CA 1.475 53.366 52.037 -0.243 0.000 0.633 216 A CB -0.160 18.804 19.000 -0.060 0.000 0.819 216 A HN 0.038 nan 8.150 nan 0.000 0.448 217 E N -0.446 119.679 120.200 -0.125 0.000 2.058 217 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 217 E C 1.984 178.517 176.600 -0.111 0.000 0.997 217 E CA 1.518 57.862 56.400 -0.092 0.000 0.801 217 E CB -0.280 29.398 29.700 -0.037 0.000 0.746 217 E HN 0.832 nan 8.360 nan 0.000 0.450 218 E N 0.204 120.353 120.200 -0.085 0.000 2.047 218 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 218 E C 1.988 178.530 176.600 -0.097 0.000 0.987 218 E CA 0.776 57.156 56.400 -0.034 0.000 0.799 218 E CB -0.085 29.663 29.700 0.079 0.000 0.752 218 E HN 0.202 nan 8.360 nan 0.000 0.449 219 L N 0.640 121.729 121.223 -0.224 0.000 2.083 219 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 219 L C 2.339 178.975 176.870 -0.390 0.000 1.083 219 L CA 1.636 56.295 54.840 -0.302 0.000 0.752 219 L CB -0.451 41.171 42.059 -0.728 0.000 0.899 219 L HN 0.255 nan 8.230 nan 0.000 0.433 220 D N 0.193 120.228 120.400 -0.609 0.000 2.117 220 D HA -0.234 4.405 4.640 -0.000 0.000 0.198 220 D C 2.262 178.502 176.300 -0.100 0.000 0.982 220 D CA 1.147 54.961 54.000 -0.310 0.000 0.828 220 D CB 0.145 40.848 40.800 -0.162 0.000 0.967 220 D HN 0.093 nan 8.370 nan 0.000 0.464 221 K N -0.083 120.252 120.400 -0.110 0.000 2.026 221 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 221 K C 1.915 178.450 176.600 -0.108 0.000 1.048 221 K CA 1.274 57.514 56.287 -0.080 0.000 0.929 221 K CB -0.102 32.359 32.500 -0.065 0.000 0.713 221 K HN 0.050 nan 8.250 nan 0.000 0.439 222 V N 1.379 121.201 119.914 -0.153 0.000 2.343 222 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 222 V C 2.499 178.458 176.094 -0.226 0.000 1.051 222 V CA 1.929 64.086 62.300 -0.239 0.000 1.036 222 V CB -0.720 30.916 31.823 -0.311 0.000 0.654 222 V HN 0.519 nan 8.190 nan 0.000 0.451 223 A N 0.001 122.744 122.820 -0.129 0.000 1.902 223 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 223 A C 2.385 179.902 177.584 -0.112 0.000 1.181 223 A CA 1.847 53.798 52.037 -0.143 0.000 0.623 223 A CB -0.479 18.600 19.000 0.132 0.000 0.818 223 A HN 0.517 nan 8.150 nan 0.000 0.443 224 R N -0.697 119.768 120.500 -0.058 0.000 2.075 224 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 224 R C 2.071 178.329 176.300 -0.069 0.000 1.126 224 R CA 1.334 57.408 56.100 -0.044 0.000 0.963 224 R CB -0.517 29.771 30.300 -0.019 0.000 0.858 224 R HN 0.498 nan 8.270 nan 0.000 0.435 225 L N 0.223 121.391 121.223 -0.091 0.000 2.042 225 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 225 L C 2.673 179.476 176.870 -0.113 0.000 1.076 225 L CA 1.355 56.139 54.840 -0.093 0.000 0.749 225 L CB -0.537 41.462 42.059 -0.100 0.000 0.893 225 L HN 0.260 nan 8.230 nan 0.000 0.432 226 A N -0.243 122.483 122.820 -0.157 0.000 1.898 226 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 226 A C 2.506 180.003 177.584 -0.146 0.000 1.181 226 A CA 1.562 53.502 52.037 -0.161 0.000 0.620 226 A CB -0.658 18.209 19.000 -0.222 0.000 0.819 226 A HN 0.399 nan 8.150 nan 0.000 0.442 227 A N -0.225 122.504 122.820 -0.152 0.000 1.933 227 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 227 A C 2.111 179.648 177.584 -0.079 0.000 1.175 227 A CA 1.730 53.686 52.037 -0.136 0.000 0.628 227 A CB -0.381 18.585 19.000 -0.057 0.000 0.814 227 A HN 0.524 nan 8.150 nan 0.000 0.444 228 K N -0.399 119.965 120.400 -0.060 0.000 2.057 228 K HA -0.049 4.271 4.320 -0.000 0.000 0.206 228 K C 2.341 178.913 176.600 -0.046 0.000 1.050 228 K CA 1.053 57.317 56.287 -0.039 0.000 0.935 228 K CB -0.302 32.178 32.500 -0.034 0.000 0.715 228 K HN 0.441 nan 8.250 nan 0.000 0.439 229 A N 1.707 124.487 122.820 -0.066 0.000 1.902 229 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 229 A C 2.133 179.680 177.584 -0.062 0.000 1.181 229 A CA 1.140 53.137 52.037 -0.067 0.000 0.623 229 A CB -0.634 18.311 19.000 -0.091 0.000 0.818 229 A HN 0.305 nan 8.150 nan 0.000 0.443 230 L N -0.569 120.605 121.223 -0.083 0.000 2.042 230 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 230 L C 2.694 179.540 176.870 -0.040 0.000 1.076 230 L CA 1.671 56.459 54.840 -0.087 0.000 0.749 230 L CB -0.309 41.631 42.059 -0.198 0.000 0.893 230 L HN 0.370 nan 8.230 nan 0.000 0.432 231 A N -0.769 122.037 122.820 -0.023 0.000 2.121 231 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 231 A C 2.402 179.993 177.584 0.012 0.000 1.154 231 A CA 1.421 53.468 52.037 0.017 0.000 0.679 231 A CB -0.744 18.273 19.000 0.027 0.000 0.795 231 A HN 0.678 nan 8.150 nan 0.000 0.458 232 S N -0.546 115.153 115.700 -0.003 0.000 2.447 232 S HA -0.072 4.398 4.470 -0.000 0.000 0.233 232 S C 1.631 176.235 174.600 0.007 0.000 1.006 232 S CA 1.237 59.437 58.200 -0.000 0.000 0.957 232 S CB -0.598 62.597 63.200 -0.009 0.000 0.773 232 S HN 0.239 nan 8.310 nan 0.000 0.507 233 V N 1.985 121.904 119.914 0.009 0.000 2.273 233 V HA 0.030 4.150 4.120 -0.000 0.000 0.242 233 V C 2.354 178.459 176.094 0.017 0.000 1.035 233 V CA 1.671 63.980 62.300 0.015 0.000 1.013 233 V CB -0.633 31.198 31.823 0.014 0.000 0.652 233 V HN 0.808 nan 8.190 nan 0.000 0.452 234 S N -1.833 113.880 115.700 0.022 0.000 2.993 234 S HA 0.453 4.923 4.470 -0.000 0.000 0.257 234 S C 1.121 175.742 174.600 0.034 0.000 0.997 234 S CA 0.623 58.838 58.200 0.025 0.000 1.191 234 S CB 0.931 64.145 63.200 0.023 0.000 1.143 234 S HN 1.297 nan 8.310 nan 0.000 0.655 235 G N 1.302 110.124 108.800 0.037 0.000 2.141 235 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.242 235 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.242 235 G C 0.066 175.004 174.900 0.065 0.000 0.982 235 G CA 0.012 45.138 45.100 0.042 0.000 0.662 235 G HN 0.655 nan 8.290 nan 0.000 0.527 236 T N 1.667 116.274 114.554 0.089 0.000 2.817 236 T HA 0.396 4.746 4.350 -0.000 0.000 0.295 236 T C 0.293 175.112 174.700 0.198 0.000 0.958 236 T CA 0.399 62.586 62.100 0.145 0.000 1.157 236 T CB 0.990 69.975 68.868 0.196 0.000 0.898 236 T HN 0.414 nan 8.240 nan 0.000 0.536 237 E N 2.549 122.853 120.200 0.174 0.000 2.146 237 E HA 0.283 4.633 4.350 -0.000 0.000 0.282 237 E C -0.947 175.792 176.600 0.233 0.000 0.989 237 E CA -0.547 55.957 56.400 0.175 0.000 0.799 237 E CB 0.912 30.663 29.700 0.085 0.000 1.088 237 E HN 0.512 nan 8.360 nan 0.000 0.397 238 Y N 1.496 121.805 120.300 0.014 0.000 2.457 238 Y HA 0.191 4.741 4.550 -0.000 0.000 0.333 238 Y C 0.534 176.424 175.900 -0.017 0.000 1.119 238 Y CA -0.729 57.373 58.100 0.002 0.000 1.143 238 Y CB 1.268 39.724 38.460 -0.007 0.000 1.230 238 Y HN 0.352 nan 8.280 nan 0.000 0.469 239 Q N 1.057 120.898 119.800 0.067 0.000 2.204 239 Q HA 0.681 5.021 4.340 -0.000 0.000 0.254 239 Q C -1.149 174.869 176.000 0.030 0.000 0.981 239 Q CA -0.860 54.960 55.803 0.029 0.000 0.897 239 Q CB 2.496 31.220 28.738 -0.024 0.000 1.273 239 Q HN 0.447 nan 8.270 nan 0.000 0.464 240 V N -0.400 119.523 119.914 0.016 0.000 2.789 240 V HA 0.940 5.060 4.120 -0.000 0.000 0.311 240 V C 0.004 176.086 176.094 -0.020 0.000 1.073 240 V CA -0.292 62.024 62.300 0.026 0.000 0.921 240 V CB 2.049 33.925 31.823 0.087 0.000 1.009 240 V HN 0.920 nan 8.190 nan 0.000 0.426 241 G N 4.184 112.893 108.800 -0.152 0.000 2.322 241 G HA2 0.500 4.460 3.960 -0.000 0.000 0.295 241 G HA3 0.500 4.460 3.960 -0.000 0.000 0.295 241 G C -3.529 170.824 174.900 -0.913 0.000 1.369 241 G CA -0.677 44.208 45.100 -0.357 0.000 0.821 241 G HN 0.506 nan 8.290 nan 0.000 0.536 242 P HA 0.240 nan 4.420 nan 0.000 0.274 242 P C 0.909 177.926 177.300 -0.471 0.000 1.231 242 P CA 0.081 62.678 63.100 -0.838 0.000 0.790 242 P CB 1.240 32.675 31.700 -0.442 0.000 0.951 243 T N 1.700 116.022 114.554 -0.386 0.000 2.635 243 T HA -0.198 4.152 4.350 -0.000 0.000 0.267 243 T C 1.690 176.254 174.700 -0.227 0.000 1.040 243 T CA 2.447 64.378 62.100 -0.282 0.000 1.156 243 T CB -1.114 67.635 68.868 -0.198 0.000 0.863 243 T HN 0.649 nan 8.240 nan 0.000 0.430 244 C N 2.170 121.377 119.300 -0.154 0.000 2.413 244 C HA -0.080 4.380 4.460 -0.000 0.000 0.277 244 C C 2.851 177.789 174.990 -0.085 0.000 1.265 244 C CA 1.197 60.168 59.018 -0.079 0.000 1.752 244 C CB -1.921 25.790 27.740 -0.048 0.000 1.998 244 C HN 0.689 nan 8.230 nan 0.000 0.489 245 T N -3.206 111.277 114.554 -0.119 0.000 3.022 245 T HA 0.085 4.435 4.350 -0.000 0.000 0.250 245 T C 1.351 175.975 174.700 -0.126 0.000 1.060 245 T CA 1.236 63.278 62.100 -0.098 0.000 1.013 245 T CB -0.474 68.346 68.868 -0.080 0.000 0.982 245 T HN 0.551 nan 8.240 nan 0.000 0.508 246 T N 1.944 116.386 114.554 -0.186 0.000 2.976 246 T HA 0.124 4.474 4.350 -0.000 0.000 0.257 246 T C 2.049 176.609 174.700 -0.234 0.000 1.051 246 T CA 1.265 63.246 62.100 -0.198 0.000 1.141 246 T CB 0.078 68.806 68.868 -0.234 0.000 0.881 246 T HN 0.462 nan 8.240 nan 0.000 0.461 247 V N -2.008 117.698 119.914 -0.346 0.000 2.948 247 V HA 0.500 4.620 4.120 -0.000 0.000 0.234 247 V C -0.076 175.770 176.094 -0.414 0.000 1.205 247 V CA -0.203 61.779 62.300 -0.529 0.000 1.234 247 V CB -0.185 31.054 31.823 -0.973 0.000 1.020 247 V HN 0.483 nan 8.190 nan 0.000 0.491 248 Y N -3.662 116.600 120.300 -0.064 0.000 2.879 248 Y HA 0.730 5.280 4.550 -0.000 0.000 0.385 248 Y C -3.525 172.354 175.900 -0.035 0.000 1.153 248 Y CA -2.951 55.122 58.100 -0.045 0.000 1.245 248 Y CB -0.325 38.111 38.460 -0.039 0.000 1.472 248 Y HN -0.103 nan 8.280 nan 0.000 0.490 249 P HA 0.455 nan 4.420 nan 0.000 0.265 249 P C -0.871 176.574 177.300 0.240 0.000 1.193 249 P CA 0.697 63.897 63.100 0.166 0.000 0.765 249 P CB 0.649 32.408 31.700 0.099 0.000 0.823 250 A N 2.025 124.969 122.820 0.207 0.000 2.442 250 A HA 0.568 4.888 4.320 -0.000 0.000 0.284 250 A C -0.246 177.451 177.584 0.190 0.000 1.058 250 A CA -0.427 51.733 52.037 0.204 0.000 0.738 250 A CB 0.863 20.027 19.000 0.274 0.000 1.242 250 A HN 0.456 nan 8.150 nan 0.000 0.421 251 S N 1.153 116.946 115.700 0.154 0.000 2.651 251 S HA 0.724 5.194 4.470 -0.000 0.000 0.291 251 S C 0.910 175.611 174.600 0.169 0.000 1.141 251 S CA 0.107 58.408 58.200 0.168 0.000 1.027 251 S CB 1.434 64.665 63.200 0.052 0.000 1.043 251 S HN 2.571 nan 8.310 nan 0.000 0.530 252 G N 0.951 109.882 108.800 0.219 0.000 2.198 252 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 252 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 252 G C 0.146 175.266 174.900 0.366 0.000 1.025 252 G CA 0.287 45.583 45.100 0.328 0.000 0.769 252 G HN 1.695 nan 8.290 nan 0.000 0.507 253 S N -0.846 114.997 115.700 0.238 0.000 2.632 253 S HA 0.705 5.175 4.470 -0.000 0.000 0.271 253 S C 1.798 176.209 174.600 -0.315 0.000 1.260 253 S CA 0.683 58.916 58.200 0.055 0.000 1.010 253 S CB 1.788 65.034 63.200 0.076 0.000 0.965 253 S HN 1.512 nan 8.310 nan 0.000 0.534 254 S N 2.307 117.515 115.700 -0.819 0.000 2.359 254 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 254 S C 1.955 176.046 174.600 -0.848 0.000 1.035 254 S CA 1.311 58.554 58.200 -1.595 0.000 1.018 254 S CB -1.311 61.150 63.200 -1.230 0.000 0.876 254 S HN 0.985 nan 8.310 nan 0.000 0.448 255 I N 0.089 120.438 120.570 -0.368 0.000 2.394 255 I HA -0.038 4.132 4.170 -0.000 0.000 0.251 255 I C 1.551 177.587 176.117 -0.136 0.000 1.136 255 I CA 1.720 62.892 61.300 -0.215 0.000 1.425 255 I CB -0.531 37.464 38.000 -0.009 0.000 1.079 255 I HN -0.006 nan 8.210 nan 0.000 0.425 256 D N 0.679 121.062 120.400 -0.028 0.000 2.144 256 D HA -0.179 4.461 4.640 -0.000 0.000 0.200 256 D C 1.630 178.066 176.300 0.226 0.000 0.978 256 D CA 1.310 55.417 54.000 0.179 0.000 0.833 256 D CB -0.387 40.646 40.800 0.388 0.000 0.961 256 D HN 0.664 nan 8.370 nan 0.000 0.470 257 W N 2.065 123.343 121.300 -0.037 0.000 2.355 257 W HA -0.155 4.505 4.660 -0.000 0.000 0.309 257 W C 2.320 178.775 176.519 -0.107 0.000 1.206 257 W CA 2.405 59.740 57.345 -0.016 0.000 1.284 257 W CB -0.372 29.104 29.460 0.027 0.000 1.145 257 W HN -0.046 nan 8.180 nan 0.000 0.502 258 A N -0.436 122.222 122.820 -0.269 0.000 1.883 258 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 258 A C 1.933 179.306 177.584 -0.352 0.000 1.186 258 A CA 1.855 53.596 52.037 -0.494 0.000 0.624 258 A CB -1.724 16.988 19.000 -0.481 0.000 0.822 258 A HN 0.580 nan 8.150 nan 0.000 0.444 259 Y N 0.940 121.059 120.300 -0.302 0.000 2.145 259 Y HA -0.194 4.356 4.550 -0.000 0.000 0.286 259 Y C 1.694 177.471 175.900 -0.205 0.000 1.145 259 Y CA 2.088 60.038 58.100 -0.249 0.000 1.148 259 Y CB -0.215 38.079 38.460 -0.277 0.000 0.981 259 Y HN 0.334 nan 8.280 nan 0.000 0.507 260 D N -0.384 119.932 120.400 -0.141 0.000 2.310 260 D HA -0.117 4.523 4.640 -0.000 0.000 0.212 260 D C 0.854 176.964 176.300 -0.315 0.000 0.965 260 D CA 0.858 54.767 54.000 -0.152 0.000 0.879 260 D CB -0.255 40.588 40.800 0.073 0.000 0.921 260 D HN 0.459 nan 8.370 nan 0.000 0.510 261 N N -0.433 117.967 118.700 -0.500 0.000 2.251 261 N HA 0.124 4.864 4.740 -0.000 0.000 0.217 261 N C 0.935 176.221 175.510 -0.374 0.000 1.124 261 N CA 0.415 53.153 53.050 -0.519 0.000 0.843 261 N CB 1.463 39.397 38.487 -0.923 0.000 1.024 261 N HN 0.146 nan 8.380 nan 0.000 0.501 262 G N 1.135 109.720 108.800 -0.358 0.000 2.157 262 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.239 262 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.239 262 G C 0.068 174.849 174.900 -0.198 0.000 0.982 262 G CA -0.436 44.501 45.100 -0.272 0.000 0.650 262 G HN 0.314 nan 8.290 nan 0.000 0.527 263 I N 1.457 121.916 120.570 -0.185 0.000 2.269 263 I HA 0.223 4.393 4.170 -0.000 0.000 0.293 263 I C 1.523 177.612 176.117 -0.046 0.000 1.106 263 I CA -0.162 61.126 61.300 -0.020 0.000 1.248 263 I CB 1.177 39.227 38.000 0.084 0.000 1.444 263 I HN 0.176 nan 8.210 nan 0.000 0.497 264 K N 5.311 125.611 120.400 -0.167 0.000 2.097 264 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 264 K C 0.300 176.718 176.600 -0.303 0.000 1.050 264 K CA 1.308 57.394 56.287 -0.335 0.000 0.938 264 K CB 0.175 32.251 32.500 -0.708 0.000 0.718 264 K HN 0.327 nan 8.250 nan 0.000 0.442 265 F N 1.397 121.463 119.950 0.193 0.000 2.499 265 F HA 0.332 4.859 4.527 -0.000 0.000 0.353 265 F C -0.150 175.763 175.800 0.189 0.000 1.196 265 F CA -0.813 57.316 58.000 0.216 0.000 1.244 265 F CB 0.761 40.013 39.000 0.420 0.000 1.577 265 F HN -0.034 nan 8.300 nan 0.000 0.614 266 A N 3.713 126.464 122.820 -0.115 0.000 2.291 266 A HA 0.816 5.136 4.320 -0.000 0.000 0.311 266 A C -1.179 176.207 177.584 -0.329 0.000 1.224 266 A CA -0.366 51.670 52.037 -0.001 0.000 0.821 266 A CB 0.327 19.314 19.000 -0.021 0.000 1.172 266 A HN 0.438 nan 8.150 nan 0.000 0.494 267 F N 0.404 120.531 119.950 0.295 0.000 2.588 267 F HA 0.549 5.076 4.527 -0.000 0.000 0.310 267 F C 0.400 176.368 175.800 0.280 0.000 1.082 267 F CA -0.374 57.761 58.000 0.225 0.000 0.929 267 F CB 2.860 41.986 39.000 0.210 0.000 1.254 267 F HN 0.372 nan 8.300 nan 0.000 0.455 268 T N 2.745 117.521 114.554 0.371 0.000 2.779 268 T HA 0.511 4.861 4.350 -0.000 0.000 0.280 268 T C -1.049 173.840 174.700 0.315 0.000 0.987 268 T CA -0.376 61.936 62.100 0.354 0.000 0.966 268 T CB 0.388 69.351 68.868 0.159 0.000 0.933 268 T HN 0.167 nan 8.240 nan 0.000 0.442 269 F N 2.533 122.667 119.950 0.306 0.000 2.415 269 F HA 0.340 4.867 4.527 -0.000 0.000 0.348 269 F C 0.951 176.940 175.800 0.314 0.000 1.119 269 F CA -0.946 57.240 58.000 0.310 0.000 1.069 269 F CB 1.145 40.318 39.000 0.290 0.000 1.124 269 F HN 0.343 nan 8.300 nan 0.000 0.472 270 E N 5.405 125.837 120.200 0.386 0.000 2.055 270 E HA 0.294 4.644 4.350 -0.000 0.000 0.274 270 E C -0.022 176.748 176.600 0.285 0.000 0.949 270 E CA -0.208 56.359 56.400 0.278 0.000 0.775 270 E CB 1.364 31.105 29.700 0.067 0.000 1.097 270 E HN 0.574 nan 8.360 nan 0.000 0.404 271 L N 1.803 123.245 121.223 0.365 0.000 2.540 271 L HA 0.312 4.652 4.340 -0.000 0.000 0.215 271 L C 1.332 178.339 176.870 0.229 0.000 1.204 271 L CA -0.624 54.440 54.840 0.375 0.000 0.841 271 L CB 0.201 42.468 42.059 0.347 0.000 1.420 271 L HN 0.269 nan 8.230 nan 0.000 0.519 272 R N 0.286 120.919 120.500 0.222 0.000 2.784 272 R HA 0.023 4.363 4.340 -0.000 0.000 0.266 272 R C -0.675 175.721 176.300 0.161 0.000 1.044 272 R CA -0.311 55.878 56.100 0.148 0.000 1.151 272 R CB 0.215 30.597 30.300 0.137 0.000 1.037 272 R HN 0.619 nan 8.270 nan 0.000 0.478 273 D N -0.872 119.583 120.400 0.093 0.000 2.494 273 D HA 0.018 4.657 4.640 -0.000 0.000 0.256 273 D C 0.844 177.197 176.300 0.088 0.000 1.197 273 D CA -0.271 53.767 54.000 0.063 0.000 1.096 273 D CB -0.387 40.446 40.800 0.055 0.000 1.191 273 D HN 0.495 nan 8.370 nan 0.000 0.608 274 T N -5.550 109.033 114.554 0.047 0.000 3.069 274 T HA 0.497 4.847 4.350 -0.000 0.000 0.252 274 T C 1.233 176.001 174.700 0.114 0.000 1.053 274 T CA 0.317 62.471 62.100 0.089 0.000 0.964 274 T CB -0.067 68.810 68.868 0.016 0.000 1.005 274 T HN 0.912 nan 8.240 nan 0.000 0.532 275 G N 0.104 108.863 108.800 -0.068 0.000 2.559 275 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.202 275 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.202 275 G C 0.833 175.587 174.900 -0.243 0.000 0.992 275 G CA 0.212 45.178 45.100 -0.224 0.000 0.764 275 G HN 0.355 nan 8.290 nan 0.000 0.525 276 T N 0.197 114.640 114.554 -0.185 0.000 2.652 276 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 276 T C 1.820 176.285 174.700 -0.391 0.000 1.039 276 T CA 2.112 64.059 62.100 -0.255 0.000 1.153 276 T CB -0.198 68.537 68.868 -0.222 0.000 0.863 276 T HN 0.426 nan 8.240 nan 0.000 0.428 277 Y N 0.235 120.411 120.300 -0.207 0.000 2.524 277 Y HA 0.357 4.907 4.550 -0.000 0.000 0.270 277 Y C 2.017 177.685 175.900 -0.387 0.000 1.094 277 Y CA 0.067 58.039 58.100 -0.213 0.000 1.276 277 Y CB -0.285 38.098 38.460 -0.128 0.000 1.130 277 Y HN 0.418 nan 8.280 nan 0.000 0.536 278 G N 1.014 109.471 108.800 -0.571 0.000 2.596 278 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.304 278 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.304 278 G C 0.808 175.238 174.900 -0.784 0.000 1.189 278 G CA 0.803 44.993 45.100 -1.517 0.000 0.986 278 G HN 0.215 nan 8.290 nan 0.000 0.548 279 F N 0.994 120.803 119.950 -0.235 0.000 2.293 279 F HA 0.269 4.796 4.527 -0.000 0.000 0.300 279 F C 2.159 177.887 175.800 -0.120 0.000 1.086 279 F CA 1.037 59.018 58.000 -0.032 0.000 1.375 279 F CB -0.193 38.799 39.000 -0.012 0.000 1.045 279 F HN 0.146 nan 8.300 nan 0.000 0.516 280 L N 1.449 122.691 121.223 0.032 0.000 2.934 280 L HA 0.165 4.505 4.340 -0.000 0.000 0.233 280 L C -0.221 176.645 176.870 -0.007 0.000 1.358 280 L CA -0.553 54.266 54.840 -0.035 0.000 1.233 280 L CB -0.522 41.534 42.059 -0.004 0.000 1.594 280 L HN 0.009 nan 8.230 nan 0.000 0.439 281 L N 2.388 123.620 121.223 0.014 0.000 2.462 281 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 281 L C -1.949 174.913 176.870 -0.013 0.000 1.166 281 L CA -1.037 53.782 54.840 -0.036 0.000 0.880 281 L CB 0.275 42.400 42.059 0.110 0.000 1.142 281 L HN 0.015 nan 8.230 nan 0.000 0.473 282 P HA 0.049 nan 4.420 nan 0.000 0.267 282 P C -0.080 177.233 177.300 0.022 0.000 1.200 282 P CA 0.134 63.149 63.100 -0.140 0.000 0.772 282 P CB 0.731 32.232 31.700 -0.331 0.000 0.855 283 A N 3.467 126.323 122.820 0.060 0.000 2.024 283 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 283 A C 1.641 179.130 177.584 -0.157 0.000 1.164 283 A CA 1.860 53.789 52.037 -0.179 0.000 0.643 283 A CB -1.310 17.573 19.000 -0.195 0.000 0.806 283 A HN 0.716 nan 8.150 nan 0.000 0.451 284 N N -0.165 118.480 118.700 -0.092 0.000 2.609 284 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 284 N C 1.113 176.581 175.510 -0.070 0.000 1.157 284 N CA 1.230 54.236 53.050 -0.073 0.000 0.918 284 N CB -0.528 37.930 38.487 -0.048 0.000 0.978 284 N HN 0.669 nan 8.380 nan 0.000 0.448 285 Q N -0.472 119.281 119.800 -0.078 0.000 2.282 285 Q HA 0.301 4.641 4.340 -0.000 0.000 0.206 285 Q C 1.381 177.339 176.000 -0.069 0.000 0.878 285 Q CA -0.195 55.574 55.803 -0.057 0.000 0.944 285 Q CB 0.310 29.026 28.738 -0.036 0.000 1.100 285 Q HN 0.430 nan 8.270 nan 0.000 0.509 286 I N 0.505 121.008 120.570 -0.113 0.000 2.142 286 I HA -0.307 3.863 4.170 -0.000 0.000 0.240 286 I C 2.078 178.073 176.117 -0.205 0.000 1.078 286 I CA 1.462 62.682 61.300 -0.133 0.000 1.343 286 I CB -0.111 37.767 38.000 -0.203 0.000 1.046 286 I HN 0.204 nan 8.210 nan 0.000 0.405 287 I N 0.411 120.863 120.570 -0.197 0.000 2.202 287 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 287 I C -0.452 175.461 176.117 -0.341 0.000 1.091 287 I CA 1.401 62.508 61.300 -0.322 0.000 1.368 287 I CB -1.534 36.407 38.000 -0.098 0.000 1.058 287 I HN 0.140 nan 8.210 nan 0.000 0.410 288 P HA -0.144 nan 4.420 nan 0.000 0.215 288 P C 1.641 178.853 177.300 -0.148 0.000 1.153 288 P CA 1.616 64.637 63.100 -0.130 0.000 0.853 288 P CB -0.110 31.554 31.700 -0.060 0.000 0.788 289 T N -0.729 113.744 114.554 -0.135 0.000 2.737 289 T HA -0.111 4.239 4.350 -0.000 0.000 0.265 289 T C 1.892 176.472 174.700 -0.200 0.000 1.038 289 T CA 1.652 63.702 62.100 -0.082 0.000 1.144 289 T CB -0.914 67.948 68.868 -0.010 0.000 0.866 289 T HN 0.042 nan 8.240 nan 0.000 0.434 290 A N 1.535 124.096 122.820 -0.431 0.000 1.930 290 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 290 A C 2.304 179.372 177.584 -0.859 0.000 1.175 290 A CA 1.141 52.752 52.037 -0.709 0.000 0.627 290 A CB -0.349 17.919 19.000 -1.219 0.000 0.815 290 A HN 0.347 nan 8.150 nan 0.000 0.443 291 E N 0.245 119.949 120.200 -0.826 0.000 2.051 291 E HA -0.228 4.122 4.350 -0.000 0.000 0.192 291 E C 2.093 178.660 176.600 -0.054 0.000 0.991 291 E CA 1.608 57.801 56.400 -0.345 0.000 0.799 291 E CB -0.354 29.249 29.700 -0.163 0.000 0.748 291 E HN 0.973 nan 8.360 nan 0.000 0.449 292 E N 0.331 120.481 120.200 -0.083 0.000 2.072 292 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 292 E C 1.916 178.502 176.600 -0.024 0.000 0.982 292 E CA 1.348 57.734 56.400 -0.023 0.000 0.803 292 E CB -0.463 29.231 29.700 -0.010 0.000 0.755 292 E HN -0.035 nan 8.360 nan 0.000 0.453 293 T N 0.918 115.444 114.554 -0.046 0.000 2.759 293 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 293 T C 1.178 175.869 174.700 -0.015 0.000 1.042 293 T CA 1.324 63.374 62.100 -0.083 0.000 1.140 293 T CB -0.537 68.257 68.868 -0.123 0.000 0.864 293 T HN 0.428 nan 8.240 nan 0.000 0.455 294 W N 1.623 122.855 121.300 -0.113 0.000 2.363 294 W HA -0.090 4.570 4.660 -0.000 0.000 0.296 294 W C 1.507 178.007 176.519 -0.032 0.000 1.212 294 W CA 0.673 58.009 57.345 -0.015 0.000 1.260 294 W CB -0.235 29.331 29.460 0.178 0.000 1.131 294 W HN 0.238 nan 8.180 nan 0.000 0.530 295 L N 0.412 121.590 121.223 -0.074 0.000 2.093 295 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 295 L C 2.780 179.529 176.870 -0.203 0.000 1.085 295 L CA 1.409 56.129 54.840 -0.201 0.000 0.755 295 L CB -1.588 40.421 42.059 -0.085 0.000 0.904 295 L HN 0.053 nan 8.230 nan 0.000 0.435 296 G N 0.446 109.176 108.800 -0.117 0.000 2.421 296 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 296 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 296 G C 1.644 176.510 174.900 -0.057 0.000 1.171 296 G CA 0.512 45.594 45.100 -0.029 0.000 0.775 296 G HN 0.204 nan 8.290 nan 0.000 0.543 297 L N -0.007 121.111 121.223 -0.176 0.000 2.017 297 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 297 L C 2.996 179.667 176.870 -0.332 0.000 1.073 297 L CA 1.371 56.085 54.840 -0.211 0.000 0.745 297 L CB -0.335 41.621 42.059 -0.172 0.000 0.894 297 L HN 0.175 nan 8.230 nan 0.000 0.432 298 K N -0.641 119.401 120.400 -0.598 0.000 2.097 298 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 298 K C 2.081 178.492 176.600 -0.315 0.000 1.049 298 K CA 1.725 57.663 56.287 -0.581 0.000 0.933 298 K CB -0.276 31.765 32.500 -0.765 0.000 0.717 298 K HN 0.307 nan 8.250 nan 0.000 0.442 299 T N 1.860 116.261 114.554 -0.255 0.000 2.708 299 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 299 T C 1.932 176.536 174.700 -0.161 0.000 1.037 299 T CA 1.214 63.206 62.100 -0.180 0.000 1.146 299 T CB -0.183 68.587 68.868 -0.163 0.000 0.865 299 T HN 0.142 nan 8.240 nan 0.000 0.435 300 I N 0.696 121.159 120.570 -0.180 0.000 2.179 300 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 300 I C 2.536 178.597 176.117 -0.093 0.000 1.088 300 I CA 1.401 62.598 61.300 -0.172 0.000 1.357 300 I CB -0.372 37.511 38.000 -0.196 0.000 1.051 300 I HN 0.244 nan 8.210 nan 0.000 0.409 301 M N -0.156 119.388 119.600 -0.094 0.000 2.229 301 M HA -0.181 4.299 4.480 -0.000 0.000 0.264 301 M C 2.070 178.319 176.300 -0.085 0.000 1.063 301 M CA 1.605 56.867 55.300 -0.063 0.000 1.114 301 M CB -0.440 32.119 32.600 -0.068 0.000 1.387 301 M HN 0.202 nan 8.290 nan 0.000 0.420 302 E N -0.642 119.494 120.200 -0.107 0.000 2.110 302 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 302 E C 1.815 178.359 176.600 -0.093 0.000 0.988 302 E CA 1.239 57.583 56.400 -0.093 0.000 0.804 302 E CB -0.210 29.433 29.700 -0.095 0.000 0.745 302 E HN 0.544 nan 8.360 nan 0.000 0.458 303 H N 0.204 119.154 119.070 -0.200 0.000 2.357 303 H HA -0.085 4.471 4.556 -0.000 0.000 0.301 303 H C 1.946 177.052 175.328 -0.370 0.000 1.082 303 H CA 1.550 57.440 56.048 -0.264 0.000 1.342 303 H CB 0.004 29.581 29.762 -0.308 0.000 1.389 303 H HN -0.064 nan 8.280 nan 0.000 0.511 304 V N 1.045 120.760 119.914 -0.332 0.000 2.287 304 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 304 V C 2.632 178.640 176.094 -0.144 0.000 1.053 304 V CA 2.205 64.318 62.300 -0.313 0.000 1.027 304 V CB -0.656 31.121 31.823 -0.077 0.000 0.646 304 V HN 0.452 nan 8.190 nan 0.000 0.447 305 R N 0.250 120.690 120.500 -0.101 0.000 2.103 305 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 305 R C 1.633 177.886 176.300 -0.079 0.000 1.142 305 R CA 2.176 58.241 56.100 -0.059 0.000 0.960 305 R CB -0.353 29.917 30.300 -0.051 0.000 0.858 305 R HN 0.493 nan 8.270 nan 0.000 0.439 306 D N -0.209 120.103 120.400 -0.146 0.000 2.349 306 D HA 0.005 4.645 4.640 -0.000 0.000 0.224 306 D C 0.103 176.311 176.300 -0.153 0.000 1.029 306 D CA 0.507 54.419 54.000 -0.146 0.000 0.879 306 D CB 0.102 40.795 40.800 -0.178 0.000 0.906 306 D HN 0.233 nan 8.370 nan 0.000 0.528 307 N N 0.416 119.028 118.700 -0.146 0.000 2.480 307 N HA 0.151 4.891 4.740 -0.000 0.000 0.281 307 N C -0.035 175.513 175.510 0.064 0.000 1.381 307 N CA -0.036 52.987 53.050 -0.046 0.000 0.903 307 N CB 1.514 39.971 38.487 -0.050 0.000 1.274 307 N HN 0.112 nan 8.380 nan 0.000 0.505 308 L N 0.000 121.245 121.223 0.036 0.000 2.949 308 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 308 L CA 0.000 54.876 54.840 0.060 0.000 0.813 308 L CB 0.000 42.089 42.059 0.049 0.000 0.961 308 L HN 0.000 nan 8.230 nan 0.000 0.502