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 3oa0_1_C DATA FIRST_RESID 1 DATA SEQUENCE MTRFALTGLA GYIAPRHLKA IKEVGGVLVA SLDPATNVGL VDSFFPEAEF DATA SEQUENCE FTEPEAFEAY LEDLRDRGEG VDYLSIASPN HLHYPQIRMA LRLGANALSE DATA SEQUENCE KPLVLWPEEI ARLKELEART GRRVYTVLQL RVHPSLLALK ERLGQEKGAK DATA SEQUENCE DVVLTYVTGR GKWYGKSWKV DEAKSGGLAT NIGIHFFDLL AWLFGRALHV DATA SEQUENCE EVHARTPTVN AGYLELEGAR VRWFLSIDPS FVPEPLRRQG KRTYRSIAVD DATA SEQUENCE GEEVEFSEGF TDLHTEVYRK TLAGEGFGLD EAAEAIRVAA LLRTLPLSQP DATA SEQUENCE SPENRHPFLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.355 176.300 0.092 0.000 1.140 1 M CA 0.000 55.356 55.300 0.093 0.000 0.988 1 M CB 0.000 32.660 32.600 0.100 0.000 1.302 2 T N 4.265 118.891 114.554 0.120 0.000 2.888 2 T HA 0.282 4.632 4.350 0.001 0.000 0.301 2 T C -0.005 174.723 174.700 0.045 0.000 1.001 2 T CA 0.103 62.234 62.100 0.052 0.000 1.147 2 T CB 0.147 69.046 68.868 0.051 0.000 0.931 2 T HN 0.530 nan 8.240 nan 0.000 0.541 3 R N 2.050 122.502 120.500 -0.080 0.000 2.265 3 R HA 0.503 4.843 4.340 0.001 0.000 0.319 3 R C -0.843 175.371 176.300 -0.144 0.000 1.006 3 R CA -0.323 55.764 56.100 -0.022 0.000 0.880 3 R CB 0.651 30.940 30.300 -0.018 0.000 1.077 3 R HN 0.482 nan 8.270 nan 0.000 0.454 4 F N 0.889 120.862 119.950 0.039 0.000 2.538 4 F HA 0.684 5.211 4.527 0.000 0.000 0.325 4 F C 0.306 176.139 175.800 0.055 0.000 1.066 4 F CA -0.761 57.283 58.000 0.074 0.000 0.946 4 F CB 2.007 41.036 39.000 0.049 0.000 1.199 4 F HN 0.470 nan 8.300 nan 0.000 0.473 5 A N 2.164 125.166 122.820 0.304 0.000 2.384 5 A HA 0.895 5.215 4.320 0.001 0.000 0.312 5 A C -2.050 175.735 177.584 0.334 0.000 1.113 5 A CA -0.701 51.513 52.037 0.294 0.000 0.779 5 A CB 1.771 20.900 19.000 0.214 0.000 1.307 5 A HN 0.736 nan 8.150 nan 0.000 0.436 6 L N 0.885 122.298 121.223 0.317 0.000 2.431 6 L HA 0.794 5.135 4.340 0.001 0.000 0.266 6 L C -0.000 176.892 176.870 0.036 0.000 0.978 6 L CA 0.181 55.120 54.840 0.164 0.000 0.822 6 L CB 2.420 44.534 42.059 0.093 0.000 1.310 6 L HN 0.942 nan 8.230 nan 0.000 0.409 7 T N 0.288 114.807 114.554 -0.058 0.000 2.888 7 T HA 0.673 5.024 4.350 0.001 0.000 0.284 7 T C 0.613 175.241 174.700 -0.120 0.000 1.017 7 T CA -0.077 61.913 62.100 -0.183 0.000 1.022 7 T CB 1.490 70.240 68.868 -0.195 0.000 1.013 7 T HN 1.815 nan 8.240 nan 0.000 0.465 8 G N 1.135 109.876 108.800 -0.099 0.000 2.137 8 G HA2 -0.227 3.734 3.960 0.001 0.000 0.237 8 G HA3 -0.227 3.734 3.960 0.001 0.000 0.237 8 G C 0.533 175.441 174.900 0.014 0.000 1.002 8 G CA 0.212 45.291 45.100 -0.035 0.000 0.702 8 G HN 1.060 nan 8.290 nan 0.000 0.515 9 L N 0.437 121.685 121.223 0.042 0.000 2.089 9 L HA 0.110 4.450 4.340 0.001 0.000 0.213 9 L C 2.718 179.627 176.870 0.066 0.000 1.079 9 L CA 3.397 58.282 54.840 0.075 0.000 0.758 9 L CB -0.520 41.644 42.059 0.175 0.000 0.891 9 L HN 0.928 nan 8.230 nan 0.000 0.433 10 A N -1.309 121.564 122.820 0.088 0.000 2.238 10 A HA 0.424 4.745 4.320 0.001 0.000 0.208 10 A C 1.298 178.930 177.584 0.081 0.000 1.177 10 A CA 0.458 52.536 52.037 0.069 0.000 0.804 10 A CB -1.124 17.926 19.000 0.083 0.000 0.823 10 A HN 0.484 nan 8.150 nan 0.000 0.482 11 G N -2.614 106.244 108.800 0.097 0.000 2.557 11 G HA2 0.327 4.287 3.960 0.001 0.000 0.302 11 G HA3 0.327 4.287 3.960 0.001 0.000 0.302 11 G C 0.509 175.502 174.900 0.155 0.000 1.311 11 G CA -0.024 45.170 45.100 0.157 0.000 1.030 11 G HN 0.297 nan 8.290 nan 0.000 0.509 12 Y N -0.560 119.808 120.300 0.114 0.000 2.242 12 Y HA -0.048 4.502 4.550 0.001 0.000 0.291 12 Y C 2.337 178.286 175.900 0.082 0.000 1.137 12 Y CA 1.645 59.795 58.100 0.084 0.000 1.181 12 Y CB 0.082 38.607 38.460 0.109 0.000 0.989 12 Y HN 0.241 nan 8.280 nan 0.000 0.527 13 I N 0.510 121.053 120.570 -0.045 0.000 2.716 13 I HA 0.030 4.200 4.170 0.001 0.000 0.259 13 I C 2.421 178.510 176.117 -0.046 0.000 1.172 13 I CA 1.082 62.298 61.300 -0.140 0.000 1.478 13 I CB -0.797 37.300 38.000 0.160 0.000 1.104 13 I HN 0.301 nan 8.210 nan 0.000 0.439 14 A N 1.599 124.430 122.820 0.018 0.000 1.927 14 A HA -0.181 4.140 4.320 0.001 0.000 0.220 14 A C 0.004 177.551 177.584 -0.063 0.000 1.185 14 A CA 2.214 54.266 52.037 0.024 0.000 0.639 14 A CB -2.250 16.746 19.000 -0.007 0.000 0.820 14 A HN 0.345 nan 8.150 nan 0.000 0.451 15 P HA -0.156 nan 4.420 nan 0.000 0.218 15 P C 1.333 178.472 177.300 -0.269 0.000 1.148 15 P CA 1.344 64.314 63.100 -0.217 0.000 0.822 15 P CB -0.132 31.475 31.700 -0.155 0.000 0.784 16 R N -1.682 118.642 120.500 -0.292 0.000 2.115 16 R HA -0.093 4.247 4.340 0.001 0.000 0.230 16 R C 2.423 178.478 176.300 -0.408 0.000 1.111 16 R CA 0.940 56.808 56.100 -0.386 0.000 0.976 16 R CB -0.703 29.181 30.300 -0.693 0.000 0.870 16 R HN 0.435 nan 8.270 nan 0.000 0.445 17 H N 0.708 119.615 119.070 -0.271 0.000 2.326 17 H HA -0.075 4.481 4.556 0.001 0.000 0.301 17 H C 2.282 177.354 175.328 -0.426 0.000 1.081 17 H CA 1.370 57.254 56.048 -0.272 0.000 1.334 17 H CB -0.081 29.646 29.762 -0.058 0.000 1.385 17 H HN 0.155 nan 8.280 nan 0.000 0.504 18 L N 0.730 121.766 121.223 -0.312 0.000 2.013 18 L HA -0.234 4.106 4.340 0.001 0.000 0.212 18 L C 2.724 179.297 176.870 -0.494 0.000 1.073 18 L CA 1.613 56.149 54.840 -0.507 0.000 0.753 18 L CB -0.386 41.017 42.059 -1.092 0.000 0.890 18 L HN 0.195 nan 8.230 nan 0.000 0.432 19 K N 0.254 120.379 120.400 -0.459 0.000 2.097 19 K HA -0.157 4.163 4.320 0.001 0.000 0.205 19 K C 2.153 178.636 176.600 -0.195 0.000 1.050 19 K CA 1.207 57.416 56.287 -0.130 0.000 0.938 19 K CB -0.077 32.395 32.500 -0.047 0.000 0.718 19 K HN 0.245 nan 8.250 nan 0.000 0.442 20 A N 1.428 123.996 122.820 -0.420 0.000 1.865 20 A HA -0.152 4.168 4.320 0.001 0.000 0.217 20 A C 2.114 179.330 177.584 -0.614 0.000 1.191 20 A CA 1.722 53.375 52.037 -0.641 0.000 0.623 20 A CB -0.664 17.549 19.000 -1.311 0.000 0.826 20 A HN 0.364 nan 8.150 nan 0.000 0.444 21 I N -0.450 119.720 120.570 -0.667 0.000 2.226 21 I HA -0.264 3.906 4.170 0.001 0.000 0.245 21 I C 2.514 178.600 176.117 -0.052 0.000 1.100 21 I CA 1.911 62.889 61.300 -0.536 0.000 1.374 21 I CB -0.224 37.404 38.000 -0.620 0.000 1.057 21 I HN 0.413 nan 8.210 nan 0.000 0.413 22 K N 1.614 122.105 120.400 0.150 0.000 2.026 22 K HA -0.198 4.123 4.320 0.001 0.000 0.208 22 K C 1.891 178.550 176.600 0.098 0.000 1.048 22 K CA 1.737 58.176 56.287 0.252 0.000 0.929 22 K CB -0.182 32.459 32.500 0.236 0.000 0.713 22 K HN 0.252 nan 8.250 nan 0.000 0.439 23 E N -0.030 120.182 120.200 0.020 0.000 2.150 23 E HA -0.096 4.255 4.350 0.001 0.000 0.193 23 E C 1.451 178.061 176.600 0.015 0.000 0.985 23 E CA 1.208 57.611 56.400 0.006 0.000 0.814 23 E CB 0.105 29.794 29.700 -0.020 0.000 0.752 23 E HN 0.377 nan 8.360 nan 0.000 0.466 24 V N -2.315 117.606 119.914 0.011 0.000 3.636 24 V HA 0.327 4.447 4.120 0.001 0.000 0.279 24 V C 1.064 177.221 176.094 0.105 0.000 1.263 24 V CA 0.525 62.861 62.300 0.059 0.000 1.182 24 V CB -0.622 31.255 31.823 0.091 0.000 0.955 24 V HN 0.266 nan 8.190 nan 0.000 0.443 25 G N -0.604 108.262 108.800 0.111 0.000 2.176 25 G HA2 -0.131 3.830 3.960 0.001 0.000 0.252 25 G HA3 -0.131 3.830 3.960 0.001 0.000 0.252 25 G C 0.508 175.527 174.900 0.199 0.000 1.024 25 G CA 0.154 45.338 45.100 0.139 0.000 0.755 25 G HN 1.388 nan 8.290 nan 0.000 0.507 26 G N -1.801 107.145 108.800 0.243 0.000 2.547 26 G HA2 0.715 4.676 3.960 0.001 0.000 0.291 26 G HA3 0.715 4.676 3.960 0.001 0.000 0.291 26 G C -0.261 174.811 174.900 0.287 0.000 1.211 26 G CA 0.063 45.372 45.100 0.348 0.000 0.950 26 G HN 1.384 nan 8.290 nan 0.000 0.504 27 V N 0.262 120.315 119.914 0.232 0.000 2.709 27 V HA 0.602 4.722 4.120 0.001 0.000 0.308 27 V C -1.056 174.879 176.094 -0.265 0.000 1.062 27 V CA -1.016 61.289 62.300 0.008 0.000 0.901 27 V CB 1.822 33.733 31.823 0.148 0.000 1.003 27 V HN 0.715 nan 8.190 nan 0.000 0.425 28 L N 6.589 127.204 121.223 -1.012 0.000 2.283 28 L HA 0.433 4.774 4.340 0.001 0.000 0.287 28 L C 0.656 177.450 176.870 -0.127 0.000 1.073 28 L CA 0.691 55.191 54.840 -0.567 0.000 0.822 28 L CB 1.466 43.023 42.059 -0.836 0.000 1.186 28 L HN 0.587 nan 8.230 nan 0.000 0.436 29 V N 4.734 124.679 119.914 0.052 0.000 2.535 29 V HA 0.366 4.486 4.120 0.001 0.000 0.246 29 V C 0.870 177.110 176.094 0.242 0.000 1.045 29 V CA 1.097 63.489 62.300 0.152 0.000 1.058 29 V CB -0.465 31.447 31.823 0.147 0.000 0.689 29 V HN 0.915 nan 8.190 nan 0.000 0.461 30 A N -1.425 121.559 122.820 0.273 0.000 2.605 30 A HA 0.736 5.056 4.320 0.001 0.000 0.294 30 A C -0.767 177.100 177.584 0.471 0.000 1.062 30 A CA -0.325 51.950 52.037 0.396 0.000 0.682 30 A CB 1.569 20.859 19.000 0.484 0.000 1.278 30 A HN 0.075 nan 8.150 nan 0.000 0.410 31 S N -0.562 115.427 115.700 0.483 0.000 2.632 31 S HA 0.852 5.323 4.470 0.001 0.000 0.289 31 S C -1.371 173.226 174.600 -0.006 0.000 1.115 31 S CA -0.530 57.853 58.200 0.305 0.000 0.889 31 S CB 1.750 65.144 63.200 0.323 0.000 1.116 31 S HN 1.568 nan 8.310 nan 0.000 0.486 32 L N 1.699 122.679 121.223 -0.405 0.000 2.431 32 L HA 0.838 5.178 4.340 0.001 0.000 0.266 32 L C -1.975 174.685 176.870 -0.350 0.000 0.978 32 L CA 0.042 54.476 54.840 -0.677 0.000 0.822 32 L CB 1.972 43.214 42.059 -1.362 0.000 1.310 32 L HN 0.676 nan 8.230 nan 0.000 0.409 33 D N 4.687 124.915 120.400 -0.288 0.000 2.746 33 D HA 0.268 4.908 4.640 0.001 0.000 0.211 33 D C -2.530 173.765 176.300 -0.008 0.000 1.242 33 D CA -0.761 53.206 54.000 -0.054 0.000 0.790 33 D CB 2.895 43.787 40.800 0.155 0.000 1.744 33 D HN 0.295 nan 8.370 nan 0.000 0.520 34 P HA 0.016 nan 4.420 nan 0.000 0.221 34 P C 0.212 177.569 177.300 0.095 0.000 1.145 34 P CA 0.558 63.675 63.100 0.028 0.000 0.795 34 P CB 0.302 32.011 31.700 0.016 0.000 0.775 35 A N -0.104 122.790 122.820 0.123 0.000 2.295 35 A HA 0.492 4.813 4.320 0.001 0.000 0.318 35 A C 0.984 178.668 177.584 0.167 0.000 1.134 35 A CA 0.021 52.130 52.037 0.121 0.000 0.827 35 A CB 0.537 19.595 19.000 0.097 0.000 1.136 35 A HN 0.131 nan 8.150 nan 0.000 0.493 36 T N -1.922 112.687 114.554 0.092 0.000 3.091 36 T HA 0.103 4.453 4.350 0.001 0.000 0.277 36 T C 0.273 174.928 174.700 -0.075 0.000 0.996 36 T CA -0.046 62.062 62.100 0.015 0.000 0.897 36 T CB -0.462 68.424 68.868 0.030 0.000 1.109 36 T HN 0.510 nan 8.240 nan 0.000 0.534 37 N N 2.698 121.380 118.700 -0.030 0.000 2.671 37 N HA 0.158 4.898 4.740 0.001 0.000 0.274 37 N C 0.724 176.194 175.510 -0.067 0.000 1.188 37 N CA -0.086 52.936 53.050 -0.047 0.000 1.065 37 N CB 0.344 38.822 38.487 -0.015 0.000 1.415 37 N HN 0.430 nan 8.380 nan 0.000 0.511 38 V N 0.011 119.837 119.914 -0.147 0.000 3.252 38 V HA 0.479 4.599 4.120 0.001 0.000 0.320 38 V C 1.615 177.626 176.094 -0.138 0.000 1.459 38 V CA 0.235 62.440 62.300 -0.160 0.000 1.095 38 V CB 0.204 31.844 31.823 -0.305 0.000 0.997 38 V HN 0.301 nan 8.190 nan 0.000 0.469 39 G N 1.282 110.014 108.800 -0.113 0.000 2.479 39 G HA2 -0.236 3.724 3.960 0.001 0.000 0.220 39 G HA3 -0.236 3.724 3.960 0.001 0.000 0.220 39 G C 1.239 176.129 174.900 -0.016 0.000 1.115 39 G CA 1.258 46.311 45.100 -0.078 0.000 0.757 39 G HN 0.546 nan 8.290 nan 0.000 0.560 40 L N 0.770 122.000 121.223 0.011 0.000 2.187 40 L HA -0.016 4.325 4.340 0.001 0.000 0.213 40 L C 2.662 179.635 176.870 0.173 0.000 1.100 40 L CA 1.328 56.219 54.840 0.084 0.000 0.765 40 L CB -0.386 41.729 42.059 0.094 0.000 0.904 40 L HN 0.069 nan 8.230 nan 0.000 0.437 41 V N -0.276 119.708 119.914 0.117 0.000 2.469 41 V HA -0.287 3.833 4.120 0.001 0.000 0.251 41 V C 2.032 178.247 176.094 0.201 0.000 1.064 41 V CA 2.225 64.640 62.300 0.191 0.000 1.066 41 V CB -0.543 31.357 31.823 0.129 0.000 0.667 41 V HN 0.552 nan 8.190 nan 0.000 0.461 42 D N 0.264 120.720 120.400 0.094 0.000 2.221 42 D HA -0.115 4.526 4.640 0.001 0.000 0.204 42 D C 2.252 178.557 176.300 0.009 0.000 0.982 42 D CA 1.701 55.731 54.000 0.051 0.000 0.857 42 D CB -0.167 40.637 40.800 0.006 0.000 0.934 42 D HN 0.701 nan 8.370 nan 0.000 0.475 43 S N -1.301 114.397 115.700 -0.005 0.000 2.603 43 S HA 0.058 4.529 4.470 0.001 0.000 0.220 43 S C 1.515 175.869 174.600 -0.410 0.000 0.967 43 S CA -0.044 58.046 58.200 -0.184 0.000 0.920 43 S CB -0.236 62.828 63.200 -0.227 0.000 0.773 43 S HN 0.138 nan 8.310 nan 0.000 0.529 44 F N 0.115 119.931 119.950 -0.223 0.000 2.480 44 F HA 0.474 5.001 4.527 0.001 0.000 0.280 44 F C 0.055 175.307 175.800 -0.912 0.000 1.002 44 F CA -0.362 57.310 58.000 -0.546 0.000 1.325 44 F CB 0.454 39.193 39.000 -0.434 0.000 1.134 44 F HN 0.104 nan 8.300 nan 0.000 0.646 45 F N 1.106 121.184 119.950 0.213 0.000 2.809 45 F HA 0.364 4.892 4.527 0.000 0.000 0.369 45 F C -2.021 173.840 175.800 0.102 0.000 1.225 45 F CA -2.391 55.694 58.000 0.141 0.000 1.201 45 F CB 0.462 39.552 39.000 0.149 0.000 1.527 45 F HN -0.229 nan 8.300 nan 0.000 0.565 46 P HA -0.095 nan 4.420 nan 0.000 0.230 46 P C 0.696 178.062 177.300 0.110 0.000 1.158 46 P CA 1.178 64.333 63.100 0.092 0.000 0.769 46 P CB 0.442 32.163 31.700 0.034 0.000 0.807 47 E N -0.641 119.651 120.200 0.153 0.000 2.476 47 E HA 0.264 4.614 4.350 0.001 0.000 0.196 47 E C 0.514 177.203 176.600 0.149 0.000 1.029 47 E CA -0.412 56.067 56.400 0.133 0.000 0.896 47 E CB 0.112 29.885 29.700 0.122 0.000 1.012 47 E HN 0.146 nan 8.360 nan 0.000 0.475 48 A N 1.522 124.459 122.820 0.194 0.000 2.483 48 A HA 0.039 4.359 4.320 0.001 0.000 0.238 48 A C 0.364 178.038 177.584 0.150 0.000 1.070 48 A CA -0.103 52.050 52.037 0.193 0.000 0.770 48 A CB 0.332 19.472 19.000 0.232 0.000 1.008 48 A HN 0.047 nan 8.150 nan 0.000 0.497 49 E N -0.151 120.128 120.200 0.132 0.000 2.374 49 E HA 0.408 4.759 4.350 0.001 0.000 0.260 49 E C -1.259 175.406 176.600 0.108 0.000 1.101 49 E CA 0.185 56.586 56.400 0.001 0.000 0.907 49 E CB 1.084 30.668 29.700 -0.193 0.000 1.014 49 E HN 0.488 nan 8.360 nan 0.000 0.427 50 F N 1.395 121.169 119.950 -0.293 0.000 2.569 50 F HA 0.476 5.003 4.527 0.000 0.000 0.312 50 F C -1.751 173.764 175.800 -0.474 0.000 1.109 50 F CA -0.886 57.016 58.000 -0.164 0.000 0.919 50 F CB 1.000 39.941 39.000 -0.099 0.000 1.211 50 F HN 0.268 nan 8.300 nan 0.000 0.446 51 F N 2.264 121.657 119.950 -0.929 0.000 2.576 51 F HA 0.384 4.912 4.527 0.000 0.000 0.313 51 F C 0.857 176.114 175.800 -0.906 0.000 1.078 51 F CA -0.407 57.224 58.000 -0.614 0.000 0.921 51 F CB 2.558 41.416 39.000 -0.237 0.000 1.232 51 F HN 0.517 nan 8.300 nan 0.000 0.459 52 T N -3.455 110.919 114.554 -0.300 0.000 2.990 52 T HA 0.204 4.554 4.350 0.001 0.000 0.250 52 T C 0.078 174.731 174.700 -0.079 0.000 1.041 52 T CA 0.034 62.024 62.100 -0.185 0.000 1.010 52 T CB 0.047 68.900 68.868 -0.025 0.000 1.003 52 T HN 0.375 nan 8.240 nan 0.000 0.499 53 E N 2.409 122.612 120.200 0.004 0.000 2.109 53 E HA 0.264 4.615 4.350 0.001 0.000 0.278 53 E C -2.203 174.402 176.600 0.009 0.000 0.954 53 E CA -2.355 54.055 56.400 0.017 0.000 0.779 53 E CB 1.982 31.714 29.700 0.053 0.000 1.093 53 E HN 0.093 nan 8.360 nan 0.000 0.401 54 P HA -0.172 nan 4.420 nan 0.000 0.216 54 P C 0.792 178.107 177.300 0.024 0.000 1.150 54 P CA 1.253 64.339 63.100 -0.024 0.000 0.837 54 P CB 0.427 32.100 31.700 -0.044 0.000 0.786 55 E N -0.446 119.759 120.200 0.008 0.000 2.153 55 E HA -0.119 4.231 4.350 0.001 0.000 0.194 55 E C 2.080 178.673 176.600 -0.012 0.000 0.988 55 E CA 1.421 57.821 56.400 -0.001 0.000 0.811 55 E CB -0.879 28.823 29.700 0.003 0.000 0.746 55 E HN 0.186 nan 8.360 nan 0.000 0.466 56 A N 0.355 123.182 122.820 0.013 0.000 1.897 56 A HA -0.101 4.219 4.320 0.001 0.000 0.215 56 A C 2.003 179.405 177.584 -0.304 0.000 1.181 56 A CA 0.851 52.896 52.037 0.014 0.000 0.620 56 A CB -0.690 18.448 19.000 0.229 0.000 0.821 56 A HN 0.338 nan 8.150 nan 0.000 0.443 57 F N 0.985 120.524 119.950 -0.686 0.000 2.126 57 F HA -0.179 4.348 4.527 0.001 0.000 0.299 57 F C 2.128 177.623 175.800 -0.507 0.000 1.096 57 F CA 2.232 59.594 58.000 -1.063 0.000 1.255 57 F CB -0.226 38.457 39.000 -0.528 0.000 0.997 57 F HN 0.428 nan 8.300 nan 0.000 0.479 58 E N -0.021 120.055 120.200 -0.207 0.000 2.046 58 E HA -0.143 4.207 4.350 0.001 0.000 0.190 58 E C 2.310 178.775 176.600 -0.225 0.000 0.982 58 E CA 0.932 57.194 56.400 -0.230 0.000 0.800 58 E CB -0.347 29.298 29.700 -0.091 0.000 0.756 58 E HN 0.431 nan 8.360 nan 0.000 0.449 59 A N 0.305 123.036 122.820 -0.150 0.000 1.933 59 A HA -0.215 4.105 4.320 0.001 0.000 0.218 59 A C 2.039 179.561 177.584 -0.104 0.000 1.175 59 A CA 1.526 53.504 52.037 -0.098 0.000 0.628 59 A CB -0.885 18.095 19.000 -0.033 0.000 0.814 59 A HN 0.587 nan 8.150 nan 0.000 0.444 60 Y N 0.379 120.524 120.300 -0.259 0.000 2.200 60 Y HA -0.116 4.434 4.550 0.001 0.000 0.290 60 Y C 1.918 177.674 175.900 -0.240 0.000 1.137 60 Y CA 1.737 59.709 58.100 -0.213 0.000 1.163 60 Y CB -0.285 38.011 38.460 -0.272 0.000 0.988 60 Y HN 0.207 nan 8.280 nan 0.000 0.518 61 L N 0.039 120.997 121.223 -0.441 0.000 2.141 61 L HA -0.174 4.167 4.340 0.001 0.000 0.209 61 L C 2.507 179.157 176.870 -0.366 0.000 1.094 61 L CA 1.763 56.315 54.840 -0.481 0.000 0.763 61 L CB -0.513 41.243 42.059 -0.505 0.000 0.908 61 L HN 0.305 nan 8.230 nan 0.000 0.437 62 E N 0.166 120.194 120.200 -0.286 0.000 2.106 62 E HA -0.227 4.123 4.350 0.001 0.000 0.192 62 E C 1.546 178.029 176.600 -0.196 0.000 0.984 62 E CA 1.178 57.454 56.400 -0.207 0.000 0.806 62 E CB 0.215 29.820 29.700 -0.158 0.000 0.750 62 E HN 0.400 nan 8.360 nan 0.000 0.458 63 D N 0.559 120.825 120.400 -0.222 0.000 2.097 63 D HA -0.145 4.495 4.640 0.001 0.000 0.197 63 D C 2.125 178.288 176.300 -0.228 0.000 0.984 63 D CA 0.765 54.650 54.000 -0.191 0.000 0.826 63 D CB -0.250 40.441 40.800 -0.181 0.000 0.973 63 D HN 0.236 nan 8.370 nan 0.000 0.460 64 L N 0.499 121.507 121.223 -0.358 0.000 2.013 64 L HA -0.193 4.148 4.340 0.001 0.000 0.212 64 L C 2.694 179.441 176.870 -0.204 0.000 1.073 64 L CA 1.141 55.794 54.840 -0.311 0.000 0.753 64 L CB -0.429 41.387 42.059 -0.405 0.000 0.890 64 L HN 0.031 nan 8.230 nan 0.000 0.432 65 R N 0.446 120.825 120.500 -0.202 0.000 2.073 65 R HA -0.181 4.160 4.340 0.001 0.000 0.234 65 R C 1.783 178.011 176.300 -0.121 0.000 1.134 65 R CA 2.023 58.032 56.100 -0.153 0.000 0.952 65 R CB -0.383 29.825 30.300 -0.153 0.000 0.850 65 R HN 0.325 nan 8.270 nan 0.000 0.433 66 D N 0.431 120.759 120.400 -0.119 0.000 2.221 66 D HA -0.176 4.465 4.640 0.001 0.000 0.204 66 D C 1.219 177.472 176.300 -0.077 0.000 0.982 66 D CA 1.214 55.160 54.000 -0.090 0.000 0.857 66 D CB -0.078 40.671 40.800 -0.084 0.000 0.934 66 D HN 0.448 nan 8.370 nan 0.000 0.475 67 R N -0.650 119.799 120.500 -0.085 0.000 2.694 67 R HA 0.380 4.720 4.340 0.001 0.000 0.334 67 R C 0.911 177.173 176.300 -0.064 0.000 1.143 67 R CA 0.299 56.359 56.100 -0.066 0.000 1.073 67 R CB -0.346 29.918 30.300 -0.060 0.000 1.366 67 R HN -0.065 nan 8.270 nan 0.000 0.577 68 G N 0.901 109.659 108.800 -0.070 0.000 2.179 68 G HA2 -0.280 3.680 3.960 0.001 0.000 0.257 68 G HA3 -0.280 3.680 3.960 0.001 0.000 0.257 68 G C 0.131 174.992 174.900 -0.065 0.000 1.010 68 G CA 0.465 45.527 45.100 -0.063 0.000 0.736 68 G HN 0.565 nan 8.290 nan 0.000 0.513 69 E N 0.021 120.171 120.200 -0.083 0.000 2.995 69 E HA 0.306 4.656 4.350 0.001 0.000 0.203 69 E C 1.410 177.946 176.600 -0.107 0.000 0.980 69 E CA 0.043 56.395 56.400 -0.080 0.000 1.172 69 E CB 0.382 30.041 29.700 -0.069 0.000 1.088 69 E HN 0.529 nan 8.360 nan 0.000 0.463 70 G N 1.267 109.994 108.800 -0.122 0.000 2.647 70 G HA2 0.095 4.055 3.960 0.001 0.000 0.234 70 G HA3 0.095 4.055 3.960 0.001 0.000 0.234 70 G C 0.713 175.536 174.900 -0.129 0.000 1.252 70 G CA -0.281 44.732 45.100 -0.146 0.000 0.846 70 G HN 0.085 nan 8.290 nan 0.000 0.589 71 V N -0.362 119.468 119.914 -0.139 0.000 2.924 71 V HA 0.213 4.334 4.120 0.001 0.000 0.305 71 V C 0.716 176.719 176.094 -0.151 0.000 1.073 71 V CA -0.217 62.014 62.300 -0.115 0.000 1.098 71 V CB 1.315 33.088 31.823 -0.083 0.000 1.000 71 V HN 0.629 nan 8.190 nan 0.000 0.484 72 D N 0.653 120.950 120.400 -0.171 0.000 2.162 72 D HA 0.071 4.712 4.640 0.001 0.000 0.203 72 D C -0.128 175.931 176.300 -0.403 0.000 0.967 72 D CA 1.843 55.699 54.000 -0.240 0.000 0.840 72 D CB 0.093 40.798 40.800 -0.159 0.000 0.972 72 D HN 0.724 nan 8.370 nan 0.000 0.482 73 Y N -0.485 119.614 120.300 -0.335 0.000 2.457 73 Y HA 0.351 4.901 4.550 0.000 0.000 0.343 73 Y C -0.657 175.221 175.900 -0.036 0.000 0.994 73 Y CA -1.151 56.822 58.100 -0.212 0.000 1.031 73 Y CB 2.076 40.334 38.460 -0.336 0.000 1.246 73 Y HN -0.273 nan 8.280 nan 0.000 0.449 74 L N 2.978 124.303 121.223 0.170 0.000 2.264 74 L HA 0.511 4.851 4.340 0.001 0.000 0.287 74 L C -0.420 176.596 176.870 0.243 0.000 1.039 74 L CA 0.051 55.010 54.840 0.197 0.000 0.829 74 L CB 0.540 42.663 42.059 0.108 0.000 1.211 74 L HN 0.524 nan 8.230 nan 0.000 0.427 75 S N 6.119 121.999 115.700 0.300 0.000 2.499 75 S HA 0.536 5.006 4.470 0.001 0.000 0.275 75 S C -0.060 174.560 174.600 0.034 0.000 1.257 75 S CA -0.171 58.156 58.200 0.211 0.000 1.050 75 S CB 0.285 63.670 63.200 0.308 0.000 0.937 75 S HN 0.489 nan 8.310 nan 0.000 0.490 76 I N 2.671 123.204 120.570 -0.062 0.000 2.382 76 I HA 0.430 4.601 4.170 0.001 0.000 0.286 76 I C 0.311 176.277 176.117 -0.250 0.000 1.002 76 I CA -0.377 60.834 61.300 -0.147 0.000 1.135 76 I CB 1.519 39.423 38.000 -0.160 0.000 1.288 76 I HN 0.721 nan 8.210 nan 0.000 0.448 77 A N 4.492 127.185 122.820 -0.213 0.000 2.705 77 A HA 0.428 4.749 4.320 0.001 0.000 0.294 77 A C 0.484 178.064 177.584 -0.006 0.000 1.039 77 A CA -0.354 51.608 52.037 -0.125 0.000 1.005 77 A CB -0.090 18.779 19.000 -0.218 0.000 1.192 77 A HN 0.639 nan 8.150 nan 0.000 0.513 78 S N -0.256 115.436 115.700 -0.014 0.000 2.686 78 S HA 0.652 5.122 4.470 0.001 0.000 0.270 78 S C -2.772 171.751 174.600 -0.128 0.000 1.194 78 S CA -1.353 56.806 58.200 -0.067 0.000 0.990 78 S CB 0.051 63.180 63.200 -0.119 0.000 1.029 78 S HN 0.134 nan 8.310 nan 0.000 0.560 79 P HA 0.156 nan 4.420 nan 0.000 0.267 79 P C 0.345 177.214 177.300 -0.719 0.000 1.201 79 P CA -0.146 62.228 63.100 -1.209 0.000 0.775 79 P CB 0.281 31.188 31.700 -1.322 0.000 0.854 80 N N 0.994 119.281 118.700 -0.688 0.000 2.120 80 N HA -0.190 4.550 4.740 0.001 0.000 0.188 80 N C 1.549 176.756 175.510 -0.506 0.000 1.024 80 N CA 1.599 54.191 53.050 -0.763 0.000 0.852 80 N CB -1.145 37.214 38.487 -0.213 0.000 1.003 80 N HN 0.703 nan 8.380 nan 0.000 0.424 81 H N -0.780 118.087 119.070 -0.338 0.000 2.521 81 H HA 0.130 4.687 4.556 0.001 0.000 0.286 81 H C 1.569 176.845 175.328 -0.087 0.000 1.034 81 H CA 0.567 56.521 56.048 -0.155 0.000 1.278 81 H CB -0.328 29.393 29.762 -0.067 0.000 1.386 81 H HN 0.113 nan 8.280 nan 0.000 0.567 82 L N 0.333 121.183 121.223 -0.621 0.000 2.591 82 L HA 0.044 4.384 4.340 0.001 0.000 0.228 82 L C 1.823 178.665 176.870 -0.047 0.000 1.133 82 L CA 0.207 54.814 54.840 -0.388 0.000 0.880 82 L CB -0.308 41.478 42.059 -0.456 0.000 1.033 82 L HN 0.491 nan 8.230 nan 0.000 0.450 83 H N -1.495 117.517 119.070 -0.096 0.000 2.293 83 H HA -0.247 4.309 4.556 0.001 0.000 0.300 83 H C 2.048 177.397 175.328 0.034 0.000 1.082 83 H CA 1.758 57.792 56.048 -0.023 0.000 1.308 83 H CB -0.048 29.721 29.762 0.011 0.000 1.375 83 H HN 0.237 nan 8.280 nan 0.000 0.495 84 Y N 2.482 122.835 120.300 0.088 0.000 2.081 84 Y HA -0.155 4.396 4.550 0.001 0.000 0.280 84 Y C -0.693 175.220 175.900 0.022 0.000 1.163 84 Y CA 1.318 59.450 58.100 0.053 0.000 1.135 84 Y CB -1.150 37.349 38.460 0.065 0.000 0.970 84 Y HN 0.137 nan 8.280 nan 0.000 0.498 85 P HA -0.135 nan 4.420 nan 0.000 0.221 85 P C 0.867 178.061 177.300 -0.177 0.000 1.150 85 P CA 1.756 64.706 63.100 -0.251 0.000 0.800 85 P CB -0.109 31.526 31.700 -0.107 0.000 0.787 86 Q N -0.451 119.290 119.800 -0.099 0.000 2.172 86 Q HA -0.002 4.338 4.340 0.001 0.000 0.200 86 Q C 2.351 178.311 176.000 -0.067 0.000 0.964 86 Q CA 0.925 56.691 55.803 -0.061 0.000 0.855 86 Q CB -0.419 28.299 28.738 -0.032 0.000 0.918 86 Q HN 0.299 nan 8.270 nan 0.000 0.444 87 I N 0.520 121.043 120.570 -0.079 0.000 2.315 87 I HA -0.225 3.945 4.170 0.001 0.000 0.248 87 I C 2.328 178.366 176.117 -0.133 0.000 1.117 87 I CA 0.734 61.988 61.300 -0.077 0.000 1.404 87 I CB -0.137 37.841 38.000 -0.037 0.000 1.071 87 I HN 0.114 nan 8.210 nan 0.000 0.419 88 R N 0.284 120.646 120.500 -0.231 0.000 2.096 88 R HA -0.168 4.173 4.340 0.001 0.000 0.235 88 R C 2.183 178.386 176.300 -0.161 0.000 1.127 88 R CA 1.408 57.360 56.100 -0.247 0.000 0.968 88 R CB -0.673 29.393 30.300 -0.390 0.000 0.861 88 R HN 0.447 nan 8.270 nan 0.000 0.440 89 M N 0.193 119.714 119.600 -0.132 0.000 2.086 89 M HA -0.124 4.356 4.480 0.001 0.000 0.261 89 M C 2.151 178.395 176.300 -0.093 0.000 1.067 89 M CA 1.981 57.225 55.300 -0.094 0.000 1.116 89 M CB -0.168 32.403 32.600 -0.048 0.000 1.348 89 M HN 0.123 nan 8.290 nan 0.000 0.407 90 A N 0.903 123.675 122.820 -0.080 0.000 1.883 90 A HA -0.159 4.162 4.320 0.001 0.000 0.217 90 A C 2.020 179.536 177.584 -0.113 0.000 1.186 90 A CA 1.723 53.709 52.037 -0.085 0.000 0.624 90 A CB -1.099 17.866 19.000 -0.059 0.000 0.822 90 A HN 0.617 nan 8.150 nan 0.000 0.444 91 L N -0.470 120.685 121.223 -0.113 0.000 2.017 91 L HA -0.187 4.153 4.340 0.001 0.000 0.208 91 L C 2.749 179.553 176.870 -0.111 0.000 1.073 91 L CA 1.731 56.501 54.840 -0.117 0.000 0.745 91 L CB -0.552 41.441 42.059 -0.109 0.000 0.894 91 L HN 0.589 nan 8.230 nan 0.000 0.432 92 R N 1.038 121.473 120.500 -0.107 0.000 2.341 92 R HA -0.119 4.221 4.340 0.001 0.000 0.213 92 R C 1.481 177.717 176.300 -0.107 0.000 1.082 92 R CA 1.083 57.123 56.100 -0.100 0.000 1.017 92 R CB -0.278 29.967 30.300 -0.093 0.000 0.860 92 R HN 0.405 nan 8.270 nan 0.000 0.473 93 L N 0.270 121.420 121.223 -0.121 0.000 2.607 93 L HA 0.322 4.662 4.340 0.001 0.000 0.228 93 L C 0.882 177.670 176.870 -0.136 0.000 1.123 93 L CA 0.322 55.080 54.840 -0.136 0.000 0.890 93 L CB 0.487 42.450 42.059 -0.159 0.000 1.103 93 L HN 0.519 nan 8.230 nan 0.000 0.468 94 G N 0.769 109.491 108.800 -0.129 0.000 2.176 94 G HA2 -0.224 3.736 3.960 0.001 0.000 0.252 94 G HA3 -0.224 3.736 3.960 0.001 0.000 0.252 94 G C 0.181 174.983 174.900 -0.163 0.000 1.024 94 G CA 0.237 45.257 45.100 -0.134 0.000 0.755 94 G HN 0.513 nan 8.290 nan 0.000 0.507 95 A N -0.594 122.121 122.820 -0.175 0.000 2.330 95 A HA 0.807 5.128 4.320 0.001 0.000 0.329 95 A C 0.294 177.725 177.584 -0.255 0.000 1.135 95 A CA -0.697 51.204 52.037 -0.226 0.000 0.817 95 A CB 0.837 19.722 19.000 -0.191 0.000 1.269 95 A HN 0.255 nan 8.150 nan 0.000 0.469 96 N N 0.030 118.485 118.700 -0.409 0.000 2.424 96 N HA 0.509 5.249 4.740 0.001 0.000 0.257 96 N C -0.232 175.165 175.510 -0.189 0.000 1.250 96 N CA 0.311 53.134 53.050 -0.378 0.000 0.946 96 N CB 1.352 39.401 38.487 -0.730 0.000 1.175 96 N HN 0.805 nan 8.380 nan 0.000 0.477 97 A N 0.748 123.539 122.820 -0.048 0.000 2.330 97 A HA 0.549 4.869 4.320 0.001 0.000 0.327 97 A C -0.962 176.745 177.584 0.205 0.000 1.155 97 A CA -0.519 51.556 52.037 0.065 0.000 0.803 97 A CB 0.715 19.712 19.000 -0.005 0.000 1.208 97 A HN 0.471 nan 8.150 nan 0.000 0.477 98 L N 2.598 123.964 121.223 0.239 0.000 2.366 98 L HA 0.546 4.887 4.340 0.001 0.000 0.266 98 L C -0.005 176.920 176.870 0.091 0.000 1.010 98 L CA 0.036 54.986 54.840 0.183 0.000 0.879 98 L CB 0.916 43.019 42.059 0.074 0.000 1.228 98 L HN 0.606 nan 8.230 nan 0.000 0.439 99 S N 3.055 118.783 115.700 0.047 0.000 2.541 99 S HA 0.490 4.960 4.470 0.001 0.000 0.283 99 S C 0.090 174.661 174.600 -0.048 0.000 1.196 99 S CA -0.575 57.578 58.200 -0.078 0.000 1.062 99 S CB 0.736 63.857 63.200 -0.132 0.000 1.009 99 S HN 0.623 nan 8.310 nan 0.000 0.502 100 E N 2.001 122.123 120.200 -0.130 0.000 2.425 100 E HA 0.088 4.439 4.350 0.001 0.000 0.258 100 E C -0.080 176.569 176.600 0.081 0.000 1.151 100 E CA -0.075 56.367 56.400 0.070 0.000 0.958 100 E CB 0.359 30.157 29.700 0.165 0.000 0.968 100 E HN 0.621 nan 8.360 nan 0.000 0.451 101 K N 1.565 122.054 120.400 0.149 0.000 2.319 101 K HA 0.213 4.533 4.320 0.001 0.000 0.265 101 K C -2.368 174.359 176.600 0.211 0.000 1.000 101 K CA -1.463 54.881 56.287 0.095 0.000 0.943 101 K CB -0.839 31.593 32.500 -0.112 0.000 0.950 101 K HN 0.121 nan 8.250 nan 0.000 0.485 102 P HA -0.053 nan 4.420 nan 0.000 0.271 102 P C 0.467 177.868 177.300 0.169 0.000 1.216 102 P CA -0.487 62.629 63.100 0.026 0.000 0.771 102 P CB 0.762 32.421 31.700 -0.068 0.000 0.864 103 L N 4.981 126.264 121.223 0.100 0.000 1.997 103 L HA -0.155 4.185 4.340 0.001 0.000 0.216 103 L C 0.779 177.765 176.870 0.193 0.000 1.074 103 L CA 2.217 57.137 54.840 0.134 0.000 0.763 103 L CB -0.628 41.474 42.059 0.071 0.000 0.890 103 L HN 0.422 nan 8.230 nan 0.000 0.434 104 V N -5.520 114.448 119.914 0.089 0.000 3.182 104 V HA 0.301 4.421 4.120 0.001 0.000 0.308 104 V C 0.710 176.735 176.094 -0.116 0.000 1.240 104 V CA -0.728 61.597 62.300 0.042 0.000 1.063 104 V CB 1.513 33.374 31.823 0.064 0.000 1.076 104 V HN 0.105 nan 8.190 nan 0.000 0.446 105 L N -1.021 120.061 121.223 -0.235 0.000 2.354 105 L HA 0.350 4.691 4.340 0.001 0.000 0.212 105 L C 0.071 176.496 176.870 -0.742 0.000 1.091 105 L CA 0.902 55.392 54.840 -0.583 0.000 0.828 105 L CB 0.196 41.757 42.059 -0.830 0.000 0.973 105 L HN 0.632 nan 8.230 nan 0.000 0.461 106 W N -1.151 120.083 121.300 -0.110 0.000 2.702 106 W HA 0.344 5.004 4.660 0.000 0.000 0.331 106 W C -1.883 174.561 176.519 -0.126 0.000 1.049 106 W CA -1.580 55.691 57.345 -0.123 0.000 1.230 106 W CB 0.660 30.033 29.460 -0.145 0.000 1.408 106 W HN -0.348 nan 8.180 nan 0.000 0.492 107 P HA -0.229 nan 4.420 nan 0.000 0.215 107 P C 1.175 178.491 177.300 0.027 0.000 1.153 107 P CA 1.903 65.033 63.100 0.051 0.000 0.853 107 P CB 0.353 32.079 31.700 0.043 0.000 0.788 108 E N -0.364 119.853 120.200 0.028 0.000 2.160 108 E HA -0.232 4.118 4.350 0.001 0.000 0.195 108 E C 1.881 178.442 176.600 -0.065 0.000 0.991 108 E CA 1.049 57.433 56.400 -0.027 0.000 0.810 108 E CB -0.292 29.370 29.700 -0.063 0.000 0.742 108 E HN 0.451 nan 8.360 nan 0.000 0.466 109 E N 0.332 120.463 120.200 -0.114 0.000 2.110 109 E HA -0.186 4.164 4.350 0.001 0.000 0.193 109 E C 2.090 178.654 176.600 -0.060 0.000 0.988 109 E CA 0.629 56.870 56.400 -0.264 0.000 0.804 109 E CB 0.003 29.367 29.700 -0.561 0.000 0.745 109 E HN 0.250 nan 8.360 nan 0.000 0.458 110 I N 1.169 121.729 120.570 -0.016 0.000 2.264 110 I HA -0.272 3.899 4.170 0.001 0.000 0.248 110 I C 2.466 178.596 176.117 0.022 0.000 1.111 110 I CA 1.215 62.526 61.300 0.019 0.000 1.382 110 I CB -1.166 36.840 38.000 0.010 0.000 1.060 110 I HN 0.059 nan 8.210 nan 0.000 0.418 111 A N 1.175 124.000 122.820 0.009 0.000 1.969 111 A HA -0.167 4.153 4.320 0.001 0.000 0.218 111 A C 2.360 179.959 177.584 0.025 0.000 1.169 111 A CA 0.972 53.016 52.037 0.011 0.000 0.635 111 A CB -0.414 18.586 19.000 0.001 0.000 0.810 111 A HN 0.390 nan 8.150 nan 0.000 0.445 112 R N -0.207 120.320 120.500 0.045 0.000 2.115 112 R HA 0.052 4.393 4.340 0.001 0.000 0.226 112 R C 1.839 178.194 176.300 0.093 0.000 1.100 112 R CA 1.073 57.222 56.100 0.082 0.000 0.980 112 R CB -0.662 29.722 30.300 0.140 0.000 0.875 112 R HN 0.483 nan 8.270 nan 0.000 0.445 113 L N 0.983 122.275 121.223 0.116 0.000 2.141 113 L HA -0.123 4.217 4.340 0.001 0.000 0.209 113 L C 2.546 179.426 176.870 0.015 0.000 1.094 113 L CA 1.123 56.009 54.840 0.078 0.000 0.763 113 L CB -0.345 41.770 42.059 0.093 0.000 0.908 113 L HN 0.076 nan 8.230 nan 0.000 0.437 114 K N 0.805 121.214 120.400 0.014 0.000 2.025 114 K HA -0.179 4.142 4.320 0.001 0.000 0.207 114 K C 1.895 178.488 176.600 -0.013 0.000 1.049 114 K CA 1.429 57.712 56.287 -0.007 0.000 0.933 114 K CB -0.006 32.494 32.500 -0.001 0.000 0.714 114 K HN 0.249 nan 8.250 nan 0.000 0.438 115 E N 0.136 120.334 120.200 -0.003 0.000 2.085 115 E HA -0.177 4.174 4.350 0.001 0.000 0.194 115 E C 1.927 178.517 176.600 -0.016 0.000 0.994 115 E CA 1.456 57.852 56.400 -0.007 0.000 0.801 115 E CB -0.156 29.545 29.700 0.001 0.000 0.743 115 E HN 0.251 nan 8.360 nan 0.000 0.453 116 L N 0.881 122.096 121.223 -0.014 0.000 2.141 116 L HA -0.166 4.174 4.340 0.001 0.000 0.209 116 L C 2.165 179.004 176.870 -0.051 0.000 1.094 116 L CA 1.125 55.946 54.840 -0.032 0.000 0.763 116 L CB -0.545 41.494 42.059 -0.033 0.000 0.908 116 L HN 0.160 nan 8.230 nan 0.000 0.437 117 E N 0.576 120.743 120.200 -0.055 0.000 2.153 117 E HA -0.189 4.161 4.350 0.001 0.000 0.194 117 E C 2.287 178.850 176.600 -0.061 0.000 0.988 117 E CA 1.138 57.493 56.400 -0.074 0.000 0.811 117 E CB -0.107 29.539 29.700 -0.090 0.000 0.746 117 E HN 0.520 nan 8.360 nan 0.000 0.466 118 A N 1.445 124.238 122.820 -0.045 0.000 1.874 118 A HA -0.083 4.238 4.320 0.001 0.000 0.214 118 A C 2.050 179.611 177.584 -0.038 0.000 1.189 118 A CA 0.678 52.693 52.037 -0.037 0.000 0.615 118 A CB -0.202 18.782 19.000 -0.027 0.000 0.830 118 A HN 0.018 nan 8.150 nan 0.000 0.443 119 R N -1.128 119.349 120.500 -0.038 0.000 2.139 119 R HA -0.123 4.217 4.340 0.001 0.000 0.243 119 R C 1.694 177.966 176.300 -0.047 0.000 1.145 119 R CA 1.860 57.937 56.100 -0.039 0.000 0.976 119 R CB -0.362 29.915 30.300 -0.038 0.000 0.866 119 R HN 0.499 nan 8.270 nan 0.000 0.449 120 T N -2.022 112.499 114.554 -0.056 0.000 2.978 120 T HA 0.143 4.494 4.350 0.001 0.000 0.248 120 T C 0.878 175.535 174.700 -0.071 0.000 1.018 120 T CA 0.744 62.803 62.100 -0.068 0.000 1.026 120 T CB 0.539 69.360 68.868 -0.078 0.000 1.032 120 T HN 0.522 nan 8.240 nan 0.000 0.485 121 G N 2.607 111.367 108.800 -0.066 0.000 2.203 121 G HA2 -0.241 3.719 3.960 0.001 0.000 0.263 121 G HA3 -0.241 3.719 3.960 0.001 0.000 0.263 121 G C 0.179 175.028 174.900 -0.085 0.000 1.012 121 G CA 0.279 45.340 45.100 -0.066 0.000 0.749 121 G HN 0.386 nan 8.290 nan 0.000 0.512 122 R N -0.941 119.495 120.500 -0.105 0.000 2.856 122 R HA 0.731 5.072 4.340 0.001 0.000 0.258 122 R C 0.104 176.305 176.300 -0.165 0.000 1.066 122 R CA -0.865 55.151 56.100 -0.140 0.000 1.045 122 R CB 1.016 31.219 30.300 -0.161 0.000 1.178 122 R HN 0.136 nan 8.270 nan 0.000 0.499 123 R N 0.199 120.566 120.500 -0.222 0.000 2.803 123 R HA 0.490 4.830 4.340 0.001 0.000 0.276 123 R C -0.823 175.190 176.300 -0.478 0.000 0.978 123 R CA -1.076 54.800 56.100 -0.374 0.000 0.939 123 R CB 1.944 31.944 30.300 -0.500 0.000 1.179 123 R HN 0.285 nan 8.270 nan 0.000 0.472 124 V N 3.841 123.440 119.914 -0.524 0.000 2.347 124 V HA 0.391 4.512 4.120 0.001 0.000 0.280 124 V C -0.836 174.955 176.094 -0.504 0.000 1.021 124 V CA -0.610 61.475 62.300 -0.358 0.000 0.847 124 V CB 0.661 32.382 31.823 -0.170 0.000 0.990 124 V HN 0.521 nan 8.190 nan 0.000 0.444 125 Y N 2.065 122.389 120.300 0.040 0.000 2.602 125 Y HA 0.762 5.312 4.550 0.001 0.000 0.330 125 Y C 0.603 176.533 175.900 0.050 0.000 1.114 125 Y CA -0.817 57.310 58.100 0.045 0.000 1.182 125 Y CB 2.119 40.597 38.460 0.030 0.000 1.305 125 Y HN 0.528 nan 8.280 nan 0.000 0.502 126 T N 0.054 114.775 114.554 0.279 0.000 2.896 126 T HA 0.579 4.930 4.350 0.001 0.000 0.297 126 T C -1.795 173.031 174.700 0.211 0.000 1.108 126 T CA -0.637 61.572 62.100 0.182 0.000 1.004 126 T CB 0.960 69.905 68.868 0.128 0.000 1.159 126 T HN 0.338 nan 8.240 nan 0.000 0.499 127 V N 5.083 125.075 119.914 0.130 0.000 2.334 127 V HA 0.442 4.562 4.120 0.001 0.000 0.267 127 V C -0.152 175.969 176.094 0.046 0.000 1.040 127 V CA -0.284 62.064 62.300 0.080 0.000 0.866 127 V CB 0.485 32.317 31.823 0.015 0.000 1.019 127 V HN 0.666 nan 8.190 nan 0.000 0.468 128 L N 6.065 127.290 121.223 0.004 0.000 2.556 128 L HA 0.279 4.619 4.340 0.001 0.000 0.243 128 L C 1.665 178.426 176.870 -0.181 0.000 1.331 128 L CA -0.215 54.503 54.840 -0.204 0.000 0.927 128 L CB 1.175 42.856 42.059 -0.629 0.000 1.219 128 L HN 0.722 nan 8.230 nan 0.000 0.490 129 Q N 1.149 120.957 119.800 0.014 0.000 2.291 129 Q HA -0.146 4.194 4.340 0.001 0.000 0.206 129 Q C 1.469 177.513 176.000 0.074 0.000 0.976 129 Q CA 1.503 57.346 55.803 0.067 0.000 0.875 129 Q CB 0.020 28.854 28.738 0.161 0.000 0.927 129 Q HN 0.652 nan 8.270 nan 0.000 0.450 130 L N 0.368 121.635 121.223 0.073 0.000 2.191 130 L HA -0.080 4.260 4.340 0.001 0.000 0.212 130 L C 2.575 179.310 176.870 -0.225 0.000 1.103 130 L CA 1.109 55.966 54.840 0.029 0.000 0.769 130 L CB -0.335 41.750 42.059 0.043 0.000 0.908 130 L HN 0.226 nan 8.230 nan 0.000 0.438 131 R N -0.214 119.966 120.500 -0.532 0.000 2.280 131 R HA -0.062 4.279 4.340 0.001 0.000 0.207 131 R C 1.626 177.741 176.300 -0.308 0.000 1.043 131 R CA 1.003 56.518 56.100 -0.974 0.000 1.006 131 R CB 0.048 29.479 30.300 -1.449 0.000 0.885 131 R HN 0.390 nan 8.270 nan 0.000 0.467 132 V N -3.176 116.688 119.914 -0.084 0.000 3.528 132 V HA 0.160 4.281 4.120 0.001 0.000 0.294 132 V C 0.530 176.638 176.094 0.024 0.000 1.404 132 V CA -0.410 61.913 62.300 0.039 0.000 1.065 132 V CB -0.202 31.663 31.823 0.071 0.000 0.904 132 V HN 0.116 nan 8.190 nan 0.000 0.435 133 H N 3.049 122.065 119.070 -0.090 0.000 2.975 133 H HA 0.243 4.799 4.556 0.001 0.000 0.303 133 H C -1.812 173.472 175.328 -0.073 0.000 1.023 133 H CA -1.437 54.522 56.048 -0.148 0.000 1.473 133 H CB 1.987 31.614 29.762 -0.225 0.000 1.498 133 H HN 0.165 nan 8.280 nan 0.000 0.549 134 P HA -0.133 nan 4.420 nan 0.000 0.217 134 P C 1.490 178.890 177.300 0.167 0.000 1.148 134 P CA 1.250 64.393 63.100 0.072 0.000 0.828 134 P CB 0.363 32.053 31.700 -0.017 0.000 0.783 135 S N -0.744 115.168 115.700 0.353 0.000 2.383 135 S HA -0.060 4.411 4.470 0.001 0.000 0.227 135 S C 1.812 176.437 174.600 0.042 0.000 1.026 135 S CA 1.033 59.333 58.200 0.165 0.000 0.981 135 S CB -0.924 62.350 63.200 0.123 0.000 0.818 135 S HN 0.146 nan 8.310 nan 0.000 0.472 136 L N 0.680 121.905 121.223 0.002 0.000 2.179 136 L HA 0.062 4.402 4.340 0.001 0.000 0.208 136 L C 2.188 179.126 176.870 0.114 0.000 1.096 136 L CA 0.607 55.427 54.840 -0.032 0.000 0.779 136 L CB -0.545 41.427 42.059 -0.145 0.000 0.922 136 L HN 0.254 nan 8.230 nan 0.000 0.443 137 L N 0.133 121.468 121.223 0.187 0.000 2.042 137 L HA -0.235 4.105 4.340 0.001 0.000 0.210 137 L C 2.841 179.734 176.870 0.039 0.000 1.076 137 L CA 1.442 56.386 54.840 0.173 0.000 0.749 137 L CB -0.523 41.641 42.059 0.175 0.000 0.893 137 L HN 0.264 nan 8.230 nan 0.000 0.432 138 A N -0.569 122.273 122.820 0.036 0.000 1.897 138 A HA -0.174 4.146 4.320 0.001 0.000 0.215 138 A C 2.130 179.703 177.584 -0.019 0.000 1.181 138 A CA 1.231 53.274 52.037 0.010 0.000 0.620 138 A CB -0.619 18.396 19.000 0.026 0.000 0.821 138 A HN 0.316 nan 8.150 nan 0.000 0.443 139 L N 0.338 121.546 121.223 -0.025 0.000 2.013 139 L HA -0.186 4.155 4.340 0.001 0.000 0.212 139 L C 2.240 179.050 176.870 -0.100 0.000 1.073 139 L CA 2.763 57.576 54.840 -0.045 0.000 0.753 139 L CB -0.609 41.421 42.059 -0.049 0.000 0.890 139 L HN 0.454 nan 8.230 nan 0.000 0.432 140 K N -1.032 119.265 120.400 -0.172 0.000 2.097 140 K HA -0.192 4.128 4.320 0.001 0.000 0.206 140 K C 2.081 178.552 176.600 -0.215 0.000 1.049 140 K CA 1.296 57.397 56.287 -0.309 0.000 0.933 140 K CB -0.106 32.048 32.500 -0.576 0.000 0.717 140 K HN 0.369 nan 8.250 nan 0.000 0.442 141 E N 0.877 120.996 120.200 -0.136 0.000 2.077 141 E HA -0.167 4.183 4.350 0.001 0.000 0.193 141 E C 2.080 178.642 176.600 -0.064 0.000 0.989 141 E CA 1.181 57.529 56.400 -0.087 0.000 0.800 141 E CB 0.060 29.732 29.700 -0.047 0.000 0.746 141 E HN 0.344 nan 8.360 nan 0.000 0.452 142 R N 0.142 120.613 120.500 -0.048 0.000 2.081 142 R HA -0.048 4.292 4.340 0.001 0.000 0.235 142 R C 2.663 178.949 176.300 -0.024 0.000 1.131 142 R CA 0.870 56.955 56.100 -0.025 0.000 0.960 142 R CB -0.398 29.897 30.300 -0.008 0.000 0.856 142 R HN 0.170 nan 8.270 nan 0.000 0.436 143 L N 0.040 121.240 121.223 -0.038 0.000 2.131 143 L HA -0.070 4.270 4.340 0.001 0.000 0.210 143 L C 2.557 179.409 176.870 -0.029 0.000 1.092 143 L CA 1.146 55.977 54.840 -0.015 0.000 0.759 143 L CB -0.761 41.288 42.059 -0.017 0.000 0.903 143 L HN 0.373 nan 8.230 nan 0.000 0.435 144 G N -0.711 108.048 108.800 -0.069 0.000 2.475 144 G HA2 -0.300 3.660 3.960 0.001 0.000 0.220 144 G HA3 -0.300 3.660 3.960 0.001 0.000 0.220 144 G C 1.379 176.261 174.900 -0.031 0.000 1.125 144 G CA 0.339 45.400 45.100 -0.065 0.000 0.755 144 G HN 0.331 nan 8.290 nan 0.000 0.565 145 Q N 0.625 120.412 119.800 -0.021 0.000 2.387 145 Q HA 0.166 4.507 4.340 0.001 0.000 0.211 145 Q C -0.065 175.935 176.000 0.001 0.000 0.952 145 Q CA 0.266 56.063 55.803 -0.009 0.000 0.957 145 Q CB 0.028 28.762 28.738 -0.007 0.000 1.002 145 Q HN 0.796 nan 8.270 nan 0.000 0.502 146 E N -0.819 119.385 120.200 0.007 0.000 2.343 146 E HA 0.207 4.557 4.350 0.001 0.000 0.288 146 E C -1.261 175.352 176.600 0.022 0.000 0.907 146 E CA -0.849 55.560 56.400 0.015 0.000 0.792 146 E CB 0.812 30.523 29.700 0.020 0.000 1.275 146 E HN 0.031 nan 8.360 nan 0.000 0.402 147 K N 1.383 121.794 120.400 0.018 0.000 2.102 147 K HA 0.733 5.053 4.320 0.001 0.000 0.244 147 K C 0.453 177.067 176.600 0.022 0.000 1.021 147 K CA -0.156 56.143 56.287 0.021 0.000 0.913 147 K CB 0.807 33.316 32.500 0.015 0.000 1.062 147 K HN 0.878 nan 8.250 nan 0.000 0.485 148 G N -0.808 108.006 108.800 0.023 0.000 2.712 148 G HA2 0.185 4.146 3.960 0.001 0.000 0.686 148 G HA3 0.185 4.146 3.960 0.001 0.000 0.686 148 G C -0.314 174.592 174.900 0.011 0.000 1.181 148 G CA -0.669 44.440 45.100 0.016 0.000 0.762 148 G HN 0.868 nan 8.290 nan 0.000 0.641 149 A N 1.393 124.211 122.820 -0.003 0.000 2.547 149 A HA 0.560 4.880 4.320 0.001 0.000 0.233 149 A C 0.670 178.217 177.584 -0.062 0.000 1.067 149 A CA 1.086 53.102 52.037 -0.036 0.000 0.763 149 A CB 0.377 19.358 19.000 -0.032 0.000 1.007 149 A HN 0.995 nan 8.150 nan 0.000 0.506 150 K N 0.626 120.932 120.400 -0.156 0.000 2.156 150 K HA 0.421 4.741 4.320 0.001 0.000 0.250 150 K C -0.755 175.735 176.600 -0.183 0.000 0.955 150 K CA -0.556 55.628 56.287 -0.171 0.000 0.855 150 K CB 1.360 33.690 32.500 -0.284 0.000 1.101 150 K HN 0.726 nan 8.250 nan 0.000 0.434 151 D N 1.838 122.178 120.400 -0.099 0.000 2.344 151 D HA 0.352 4.992 4.640 0.001 0.000 0.239 151 D C -1.164 175.109 176.300 -0.046 0.000 1.064 151 D CA -0.398 53.569 54.000 -0.055 0.000 0.829 151 D CB 1.154 41.950 40.800 -0.007 0.000 1.129 151 D HN 0.074 nan 8.370 nan 0.000 0.506 152 V N 3.526 123.418 119.914 -0.037 0.000 2.604 152 V HA 0.409 4.529 4.120 0.001 0.000 0.305 152 V C 0.019 176.152 176.094 0.064 0.000 1.043 152 V CA -0.847 61.457 62.300 0.007 0.000 0.888 152 V CB 2.124 33.938 31.823 -0.015 0.000 0.995 152 V HN 0.375 nan 8.190 nan 0.000 0.429 153 V N 5.568 125.518 119.914 0.060 0.000 2.444 153 V HA 0.470 4.591 4.120 0.001 0.000 0.294 153 V C -0.659 175.489 176.094 0.090 0.000 1.022 153 V CA -0.556 61.773 62.300 0.049 0.000 0.850 153 V CB 1.756 33.532 31.823 -0.078 0.000 0.992 153 V HN 0.623 nan 8.190 nan 0.000 0.426 154 L N 5.310 126.621 121.223 0.146 0.000 2.333 154 L HA 0.759 5.099 4.340 0.001 0.000 0.280 154 L C -0.459 176.409 176.870 -0.003 0.000 1.004 154 L CA 0.310 55.178 54.840 0.047 0.000 0.820 154 L CB 1.768 43.800 42.059 -0.045 0.000 1.247 154 L HN 0.699 nan 8.230 nan 0.000 0.416 155 T N 5.258 119.768 114.554 -0.073 0.000 2.841 155 T HA 0.423 4.774 4.350 0.001 0.000 0.285 155 T C -1.486 173.130 174.700 -0.140 0.000 0.991 155 T CA -0.176 61.848 62.100 -0.127 0.000 0.966 155 T CB 1.167 69.947 68.868 -0.148 0.000 0.962 155 T HN 0.446 nan 8.240 nan 0.000 0.438 156 Y N 2.816 122.994 120.300 -0.203 0.000 2.400 156 Y HA 0.509 5.059 4.550 0.000 0.000 0.335 156 Y C -1.121 174.772 175.900 -0.012 0.000 1.066 156 Y CA -0.673 57.318 58.100 -0.182 0.000 1.285 156 Y CB 0.946 39.284 38.460 -0.204 0.000 1.103 156 Y HN 0.420 nan 8.280 nan 0.000 0.490 157 V N 4.120 124.073 119.914 0.064 0.000 2.357 157 V HA 0.405 4.526 4.120 0.001 0.000 0.284 157 V C -0.310 175.804 176.094 0.034 0.000 1.018 157 V CA -0.539 61.860 62.300 0.165 0.000 0.841 157 V CB 1.712 33.737 31.823 0.336 0.000 0.991 157 V HN 0.742 nan 8.190 nan 0.000 0.437 158 T N 1.074 115.645 114.554 0.029 0.000 3.155 158 T HA 0.529 4.880 4.350 0.001 0.000 0.384 158 T C 0.359 175.017 174.700 -0.069 0.000 1.351 158 T CA -0.374 61.703 62.100 -0.038 0.000 1.198 158 T CB 0.768 69.626 68.868 -0.016 0.000 1.106 158 T HN 0.792 nan 8.240 nan 0.000 0.564 159 G N 2.896 111.677 108.800 -0.032 0.000 2.398 159 G HA2 0.521 4.481 3.960 0.001 0.000 0.246 159 G HA3 0.521 4.481 3.960 0.001 0.000 0.246 159 G C -0.276 174.563 174.900 -0.101 0.000 1.289 159 G CA -0.691 44.380 45.100 -0.048 0.000 0.869 159 G HN 0.600 nan 8.290 nan 0.000 0.543 160 R N 0.944 121.329 120.500 -0.191 0.000 2.574 160 R HA 0.461 4.801 4.340 0.001 0.000 0.288 160 R C 0.591 176.771 176.300 -0.200 0.000 1.004 160 R CA -0.595 55.338 56.100 -0.279 0.000 0.895 160 R CB 1.573 31.361 30.300 -0.853 0.000 1.191 160 R HN 0.682 nan 8.270 nan 0.000 0.444 161 G N 1.082 109.869 108.800 -0.022 0.000 2.516 161 G HA2 0.053 4.013 3.960 0.001 0.000 0.276 161 G HA3 0.053 4.013 3.960 0.001 0.000 0.276 161 G C 0.638 175.449 174.900 -0.148 0.000 1.390 161 G CA -0.221 44.888 45.100 0.015 0.000 1.050 161 G HN 0.363 nan 8.290 nan 0.000 0.519 162 K N -0.195 120.207 120.400 0.003 0.000 2.209 162 K HA -0.044 4.277 4.320 0.001 0.000 0.204 162 K C 2.111 178.698 176.600 -0.022 0.000 1.048 162 K CA 1.515 57.790 56.287 -0.019 0.000 0.940 162 K CB -0.158 32.373 32.500 0.050 0.000 0.729 162 K HN 0.731 nan 8.250 nan 0.000 0.451 163 W N -0.595 120.736 121.300 0.051 0.000 2.350 163 W HA -0.248 4.412 4.660 0.001 0.000 0.289 163 W C 1.341 177.892 176.519 0.052 0.000 1.215 163 W CA 0.499 57.868 57.345 0.041 0.000 1.236 163 W CB -1.271 28.209 29.460 0.033 0.000 1.130 163 W HN 0.065 nan 8.180 nan 0.000 0.541 164 Y N 2.557 122.139 120.300 -1.195 0.000 2.207 164 Y HA -0.082 4.468 4.550 0.000 0.000 0.287 164 Y C 2.904 178.496 175.900 -0.512 0.000 1.156 164 Y CA 2.711 60.099 58.100 -1.186 0.000 1.182 164 Y CB -0.837 36.938 38.460 -1.142 0.000 0.979 164 Y HN -0.024 nan 8.280 nan 0.000 0.521 165 G N -0.686 108.013 108.800 -0.167 0.000 2.586 165 G HA2 -0.165 3.795 3.960 0.001 0.000 0.215 165 G HA3 -0.165 3.795 3.960 0.001 0.000 0.215 165 G C 1.511 176.358 174.900 -0.089 0.000 1.128 165 G CA 0.512 45.550 45.100 -0.102 0.000 0.774 165 G HN 0.202 nan 8.290 nan 0.000 0.543 166 K N 0.336 120.693 120.400 -0.073 0.000 2.358 166 K HA 0.160 4.480 4.320 0.001 0.000 0.200 166 K C 0.871 177.454 176.600 -0.028 0.000 1.030 166 K CA -0.091 56.186 56.287 -0.016 0.000 1.097 166 K CB 0.853 33.383 32.500 0.050 0.000 0.862 166 K HN 0.249 nan 8.250 nan 0.000 0.534 167 S N 0.850 116.462 115.700 -0.146 0.000 2.646 167 S HA 0.127 4.598 4.470 0.001 0.000 0.276 167 S C 1.374 175.822 174.600 -0.254 0.000 1.222 167 S CA -0.913 57.165 58.200 -0.202 0.000 1.014 167 S CB 0.469 63.408 63.200 -0.435 0.000 0.991 167 S HN 0.437 nan 8.310 nan 0.000 0.533 168 W N 3.343 124.590 121.300 -0.087 0.000 2.387 168 W HA -0.099 4.561 4.660 0.000 0.000 0.272 168 W C 0.824 177.257 176.519 -0.144 0.000 1.224 168 W CA 0.746 58.035 57.345 -0.092 0.000 1.210 168 W CB -0.767 28.672 29.460 -0.035 0.000 1.125 168 W HN 0.703 nan 8.180 nan 0.000 0.572 169 K N 1.190 120.908 120.400 -1.137 0.000 2.280 169 K HA -0.122 4.198 4.320 0.001 0.000 0.202 169 K C 1.955 178.217 176.600 -0.562 0.000 1.047 169 K CA 1.902 57.462 56.287 -1.212 0.000 0.942 169 K CB -0.145 31.420 32.500 -1.557 0.000 0.739 169 K HN 0.259 nan 8.250 nan 0.000 0.457 170 V N -2.043 117.622 119.914 -0.415 0.000 3.578 170 V HA 0.101 4.221 4.120 0.001 0.000 0.290 170 V C 0.061 176.099 176.094 -0.092 0.000 1.376 170 V CA -0.361 61.830 62.300 -0.181 0.000 1.083 170 V CB -0.008 31.734 31.823 -0.135 0.000 0.911 170 V HN 0.000 nan 8.190 nan 0.000 0.433 171 D N 1.673 122.032 120.400 -0.068 0.000 2.365 171 D HA 0.098 4.738 4.640 0.001 0.000 0.237 171 D C 1.193 177.492 176.300 -0.002 0.000 1.190 171 D CA 0.171 54.162 54.000 -0.015 0.000 0.867 171 D CB 1.518 42.324 40.800 0.011 0.000 1.050 171 D HN 0.523 nan 8.370 nan 0.000 0.491 172 E N 3.279 123.475 120.200 -0.007 0.000 2.097 172 E HA -0.265 4.085 4.350 0.001 0.000 0.196 172 E C 1.608 178.207 176.600 -0.001 0.000 1.000 172 E CA 1.327 57.725 56.400 -0.004 0.000 0.804 172 E CB 0.088 29.791 29.700 0.005 0.000 0.740 172 E HN 0.579 nan 8.360 nan 0.000 0.454 173 A N 0.624 123.444 122.820 -0.000 0.000 2.024 173 A HA -0.198 4.123 4.320 0.001 0.000 0.220 173 A C 1.923 179.451 177.584 -0.093 0.000 1.164 173 A CA 1.660 53.695 52.037 -0.004 0.000 0.643 173 A CB -0.189 18.804 19.000 -0.012 0.000 0.806 173 A HN 0.182 nan 8.150 nan 0.000 0.451 174 K N -0.834 119.484 120.400 -0.138 0.000 2.287 174 K HA 0.017 4.338 4.320 0.001 0.000 0.199 174 K C 2.084 178.739 176.600 0.092 0.000 1.061 174 K CA 1.031 57.148 56.287 -0.284 0.000 0.976 174 K CB 0.123 32.452 32.500 -0.286 0.000 0.898 174 K HN 0.556 nan 8.250 nan 0.000 0.492 175 S N -0.633 115.185 115.700 0.196 0.000 2.503 175 S HA 0.148 4.619 4.470 0.001 0.000 0.215 175 S C 1.508 176.142 174.600 0.057 0.000 1.003 175 S CA 0.485 58.862 58.200 0.296 0.000 0.910 175 S CB 0.586 63.878 63.200 0.152 0.000 0.790 175 S HN 0.404 nan 8.310 nan 0.000 0.514 176 G N 0.668 109.446 108.800 -0.037 0.000 2.179 176 G HA2 0.209 4.169 3.960 0.001 0.000 0.260 176 G HA3 0.209 4.169 3.960 0.001 0.000 0.260 176 G C 0.981 175.823 174.900 -0.096 0.000 0.977 176 G CA 0.110 45.128 45.100 -0.136 0.000 0.641 176 G HN 1.958 nan 8.290 nan 0.000 0.533 177 G N -2.030 106.743 108.800 -0.045 0.000 2.699 177 G HA2 0.153 4.113 3.960 0.001 0.000 0.686 177 G HA3 0.153 4.113 3.960 0.001 0.000 0.686 177 G C 0.431 175.320 174.900 -0.020 0.000 1.301 177 G CA -0.081 45.002 45.100 -0.029 0.000 0.816 177 G HN 1.165 nan 8.290 nan 0.000 0.595 178 L N 1.126 122.352 121.223 0.005 0.000 2.013 178 L HA -0.006 4.334 4.340 0.001 0.000 0.212 178 L C 3.469 180.345 176.870 0.010 0.000 1.073 178 L CA 3.765 58.618 54.840 0.022 0.000 0.753 178 L CB -1.053 41.023 42.059 0.029 0.000 0.890 178 L HN 1.379 nan 8.230 nan 0.000 0.432 179 A N -2.190 120.645 122.820 0.025 0.000 2.019 179 A HA -0.193 4.127 4.320 0.001 0.000 0.219 179 A C 2.308 179.855 177.584 -0.061 0.000 1.164 179 A CA 2.261 54.314 52.037 0.027 0.000 0.644 179 A CB -0.801 18.247 19.000 0.080 0.000 0.805 179 A HN 0.482 nan 8.150 nan 0.000 0.449 180 T N -0.366 114.131 114.554 -0.095 0.000 2.781 180 T HA -0.078 4.273 4.350 0.001 0.000 0.252 180 T C 1.992 176.628 174.700 -0.106 0.000 1.039 180 T CA 1.376 63.393 62.100 -0.138 0.000 1.147 180 T CB -0.384 68.382 68.868 -0.169 0.000 0.865 180 T HN 0.627 nan 8.240 nan 0.000 0.423 181 N N 0.797 119.470 118.700 -0.046 0.000 2.188 181 N HA 0.027 4.767 4.740 0.001 0.000 0.184 181 N C 1.584 177.116 175.510 0.036 0.000 1.018 181 N CA 1.226 54.284 53.050 0.014 0.000 0.858 181 N CB -0.210 38.294 38.487 0.027 0.000 0.989 181 N HN 0.401 nan 8.380 nan 0.000 0.426 182 I N -1.314 119.271 120.570 0.025 0.000 2.810 182 I HA 0.179 4.349 4.170 0.001 0.000 0.262 182 I C 2.306 178.329 176.117 -0.156 0.000 1.131 182 I CA 0.514 61.857 61.300 0.072 0.000 1.453 182 I CB -0.573 37.505 38.000 0.131 0.000 1.161 182 I HN 0.138 nan 8.210 nan 0.000 0.444 183 G N 1.701 110.316 108.800 -0.308 0.000 2.475 183 G HA2 -0.297 3.663 3.960 0.001 0.000 0.220 183 G HA3 -0.297 3.663 3.960 0.001 0.000 0.220 183 G C 1.700 176.019 174.900 -0.968 0.000 1.125 183 G CA 0.880 45.428 45.100 -0.921 0.000 0.755 183 G HN 0.341 nan 8.290 nan 0.000 0.565 184 I N -0.036 120.274 120.570 -0.434 0.000 2.335 184 I HA -0.202 3.968 4.170 0.001 0.000 0.251 184 I C 2.505 178.379 176.117 -0.405 0.000 1.129 184 I CA 1.373 62.478 61.300 -0.325 0.000 1.402 184 I CB -0.157 37.687 38.000 -0.261 0.000 1.069 184 I HN 0.204 nan 8.210 nan 0.000 0.424 185 H N 0.441 119.320 119.070 -0.318 0.000 2.319 185 H HA -0.242 4.315 4.556 0.000 0.000 0.297 185 H C 2.185 177.386 175.328 -0.213 0.000 1.097 185 H CA 2.491 58.428 56.048 -0.184 0.000 1.285 185 H CB -0.862 28.885 29.762 -0.026 0.000 1.368 185 H HN 0.642 nan 8.280 nan 0.000 0.495 186 F N -1.161 118.584 119.950 -0.342 0.000 2.387 186 F HA 0.059 4.587 4.527 0.000 0.000 0.294 186 F C 2.075 177.668 175.800 -0.345 0.000 1.093 186 F CA 0.037 57.830 58.000 -0.346 0.000 1.420 186 F CB -0.937 37.779 39.000 -0.474 0.000 1.086 186 F HN -0.181 nan 8.300 nan 0.000 0.531 187 F N 1.843 121.482 119.950 -0.518 0.000 2.216 187 F HA -0.110 4.418 4.527 0.000 0.000 0.300 187 F C 2.214 177.919 175.800 -0.159 0.000 1.085 187 F CA 1.491 59.293 58.000 -0.331 0.000 1.326 187 F CB -1.122 37.569 39.000 -0.516 0.000 1.027 187 F HN 0.152 nan 8.300 nan 0.000 0.497 188 D N -0.031 120.350 120.400 -0.031 0.000 2.103 188 D HA -0.153 4.487 4.640 0.001 0.000 0.199 188 D C 2.207 178.515 176.300 0.014 0.000 0.978 188 D CA 0.619 54.595 54.000 -0.039 0.000 0.829 188 D CB -0.141 40.578 40.800 -0.134 0.000 0.981 188 D HN 0.077 nan 8.370 nan 0.000 0.464 189 L N 0.405 121.644 121.223 0.026 0.000 2.021 189 L HA -0.183 4.157 4.340 0.001 0.000 0.215 189 L C 2.028 178.997 176.870 0.165 0.000 1.074 189 L CA 1.730 56.639 54.840 0.117 0.000 0.760 189 L CB -0.641 41.481 42.059 0.104 0.000 0.889 189 L HN 0.226 nan 8.230 nan 0.000 0.433 190 L N -1.011 120.314 121.223 0.169 0.000 2.056 190 L HA -0.135 4.206 4.340 0.001 0.000 0.207 190 L C 2.689 179.679 176.870 0.199 0.000 1.078 190 L CA 1.105 56.088 54.840 0.238 0.000 0.749 190 L CB -0.961 41.290 42.059 0.321 0.000 0.901 190 L HN 0.381 nan 8.230 nan 0.000 0.433 191 A N -0.486 122.433 122.820 0.165 0.000 1.908 191 A HA -0.283 4.037 4.320 0.001 0.000 0.218 191 A C 2.024 179.692 177.584 0.140 0.000 1.181 191 A CA 1.727 53.844 52.037 0.134 0.000 0.627 191 A CB -1.107 17.948 19.000 0.092 0.000 0.818 191 A HN 0.628 nan 8.150 nan 0.000 0.445 192 W N 0.543 121.791 121.300 -0.087 0.000 2.363 192 W HA -0.111 4.549 4.660 0.000 0.000 0.296 192 W C 1.723 178.125 176.519 -0.194 0.000 1.212 192 W CA 1.793 59.065 57.345 -0.122 0.000 1.260 192 W CB -0.366 29.006 29.460 -0.146 0.000 1.131 192 W HN 0.258 nan 8.180 nan 0.000 0.530 193 L N -1.381 119.676 121.223 -0.276 0.000 2.162 193 L HA -0.054 4.287 4.340 0.001 0.000 0.205 193 L C 1.489 177.933 176.870 -0.711 0.000 1.086 193 L CA 0.814 55.166 54.840 -0.812 0.000 0.778 193 L CB -0.529 40.681 42.059 -1.415 0.000 0.928 193 L HN -0.148 nan 8.230 nan 0.000 0.446 194 F N -1.090 118.856 119.950 -0.006 0.000 2.798 194 F HA 0.464 4.992 4.527 0.001 0.000 0.328 194 F C 1.245 177.052 175.800 0.011 0.000 1.098 194 F CA 0.029 58.028 58.000 -0.002 0.000 1.172 194 F CB 0.107 39.117 39.000 0.017 0.000 1.072 194 F HN 0.056 nan 8.300 nan 0.000 0.555 195 G N 1.228 110.116 108.800 0.147 0.000 2.499 195 G HA2 -0.252 3.708 3.960 0.001 0.000 0.232 195 G HA3 -0.252 3.708 3.960 0.001 0.000 0.232 195 G C -0.229 174.730 174.900 0.099 0.000 1.251 195 G CA -0.507 44.654 45.100 0.102 0.000 0.917 195 G HN 0.362 nan 8.290 nan 0.000 0.580 196 R N 0.851 121.394 120.500 0.072 0.000 2.490 196 R HA 0.586 4.927 4.340 0.001 0.000 0.280 196 R C 0.563 176.891 176.300 0.048 0.000 1.077 196 R CA 0.204 56.334 56.100 0.050 0.000 1.065 196 R CB 0.508 30.830 30.300 0.037 0.000 1.003 196 R HN 1.416 nan 8.270 nan 0.000 0.470 197 A N 5.440 128.276 122.820 0.026 0.000 2.309 197 A HA 0.244 4.565 4.320 0.001 0.000 0.290 197 A C 0.755 178.350 177.584 0.019 0.000 1.206 197 A CA -0.503 51.542 52.037 0.013 0.000 0.850 197 A CB 0.333 19.316 19.000 -0.029 0.000 1.118 197 A HN 0.899 nan 8.150 nan 0.000 0.523 198 L N 1.064 122.314 121.223 0.044 0.000 2.463 198 L HA 0.186 4.526 4.340 0.001 0.000 0.219 198 L C 0.576 177.526 176.870 0.133 0.000 1.088 198 L CA 0.442 55.324 54.840 0.071 0.000 0.849 198 L CB -0.082 42.018 42.059 0.070 0.000 1.012 198 L HN 0.911 nan 8.230 nan 0.000 0.468 199 H N -0.883 118.186 119.070 -0.001 0.000 3.029 199 H HA 0.549 5.105 4.556 0.000 0.000 0.358 199 H C -1.728 173.609 175.328 0.014 0.000 1.129 199 H CA -0.643 55.417 56.048 0.020 0.000 1.230 199 H CB 1.690 31.479 29.762 0.045 0.000 1.827 199 H HN -0.284 nan 8.280 nan 0.000 0.530 200 V N 4.910 124.487 119.914 -0.561 0.000 2.577 200 V HA 0.407 4.527 4.120 0.001 0.000 0.303 200 V C -0.515 175.379 176.094 -0.334 0.000 1.042 200 V CA -0.673 61.433 62.300 -0.323 0.000 0.872 200 V CB 1.760 33.481 31.823 -0.170 0.000 0.998 200 V HN 0.834 nan 8.190 nan 0.000 0.423 201 E N 2.566 122.688 120.200 -0.129 0.000 2.288 201 E HA 0.705 5.055 4.350 0.001 0.000 0.268 201 E C -1.578 174.978 176.600 -0.072 0.000 0.885 201 E CA -0.789 55.584 56.400 -0.045 0.000 0.767 201 E CB 3.036 32.798 29.700 0.103 0.000 1.220 201 E HN 0.406 nan 8.360 nan 0.000 0.427 202 V N 2.667 122.556 119.914 -0.042 0.000 2.378 202 V HA 0.183 4.304 4.120 0.001 0.000 0.288 202 V C -0.104 175.964 176.094 -0.045 0.000 1.016 202 V CA -0.308 61.948 62.300 -0.073 0.000 0.840 202 V CB 0.996 32.856 31.823 0.062 0.000 0.994 202 V HN 0.775 nan 8.190 nan 0.000 0.431 203 H N 2.787 121.808 119.070 -0.081 0.000 2.553 203 H HA 0.601 5.158 4.556 0.000 0.000 0.276 203 H C 0.724 176.019 175.328 -0.055 0.000 0.979 203 H CA 0.528 56.538 56.048 -0.063 0.000 1.268 203 H CB 0.920 30.631 29.762 -0.084 0.000 1.450 203 H HN 0.664 nan 8.280 nan 0.000 0.527 204 A N 1.087 123.914 122.820 0.012 0.000 2.455 204 A HA 0.648 4.969 4.320 0.001 0.000 0.300 204 A C -0.978 176.591 177.584 -0.024 0.000 1.040 204 A CA -0.708 51.327 52.037 -0.003 0.000 0.697 204 A CB 1.556 20.545 19.000 -0.017 0.000 1.265 204 A HN 0.305 nan 8.150 nan 0.000 0.407 205 R N 1.522 122.024 120.500 0.003 0.000 2.797 205 R HA 0.502 4.843 4.340 0.001 0.000 0.274 205 R C -0.442 175.863 176.300 0.009 0.000 1.652 205 R CA 0.433 56.540 56.100 0.011 0.000 1.175 205 R CB 1.046 31.366 30.300 0.033 0.000 1.283 205 R HN 1.025 nan 8.270 nan 0.000 0.513 206 T N -0.698 113.854 114.554 -0.004 0.000 2.807 206 T HA 0.516 4.867 4.350 0.001 0.000 0.277 206 T C -1.997 172.704 174.700 0.001 0.000 1.006 206 T CA -1.777 60.327 62.100 0.007 0.000 1.006 206 T CB 1.645 70.523 68.868 0.017 0.000 1.274 206 T HN 0.114 nan 8.240 nan 0.000 0.569 207 P HA 0.068 nan 4.420 nan 0.000 0.225 207 P C 1.142 178.438 177.300 -0.007 0.000 1.148 207 P CA 1.010 64.111 63.100 0.002 0.000 0.779 207 P CB -0.072 31.631 31.700 0.004 0.000 0.780 208 T N -6.187 108.363 114.554 -0.006 0.000 3.004 208 T HA 0.279 4.629 4.350 0.001 0.000 0.266 208 T C 0.245 174.908 174.700 -0.061 0.000 0.986 208 T CA -0.140 61.950 62.100 -0.017 0.000 0.902 208 T CB -0.049 68.840 68.868 0.036 0.000 1.118 208 T HN -0.229 nan 8.240 nan 0.000 0.522 209 V N 1.847 121.702 119.914 -0.099 0.000 2.686 209 V HA 0.513 4.633 4.120 0.001 0.000 0.306 209 V C -1.260 174.708 176.094 -0.210 0.000 1.065 209 V CA -1.015 61.122 62.300 -0.271 0.000 0.894 209 V CB 1.971 33.621 31.823 -0.288 0.000 1.004 209 V HN 0.405 nan 8.190 nan 0.000 0.424 210 N N 2.265 120.812 118.700 -0.255 0.000 2.249 210 N HA 0.863 5.603 4.740 0.001 0.000 0.296 210 N C -0.855 174.501 175.510 -0.257 0.000 1.051 210 N CA -0.377 52.629 53.050 -0.074 0.000 0.815 210 N CB 2.647 41.275 38.487 0.235 0.000 1.487 210 N HN 0.861 nan 8.380 nan 0.000 0.475 211 A N 0.822 123.353 122.820 -0.480 0.000 2.609 211 A HA 0.958 5.279 4.320 0.001 0.000 0.291 211 A C -0.603 176.157 177.584 -1.373 0.000 1.096 211 A CA -0.354 51.072 52.037 -1.018 0.000 0.684 211 A CB 1.816 20.554 19.000 -0.437 0.000 1.282 211 A HN 0.790 nan 8.150 nan 0.000 0.412 212 G N -1.303 106.353 108.800 -1.906 0.000 2.393 212 G HA2 0.550 4.510 3.960 0.001 0.000 0.264 212 G HA3 0.550 4.510 3.960 0.001 0.000 0.264 212 G C -2.135 172.223 174.900 -0.904 0.000 1.221 212 G CA 0.130 44.377 45.100 -1.421 0.000 0.912 212 G HN 1.893 nan 8.290 nan 0.000 0.483 213 Y N -0.159 119.886 120.300 -0.425 0.000 2.504 213 Y HA 0.787 5.338 4.550 0.001 0.000 0.344 213 Y C -1.320 174.740 175.900 0.266 0.000 1.023 213 Y CA -1.099 57.032 58.100 0.051 0.000 1.020 213 Y CB 1.687 40.221 38.460 0.125 0.000 1.282 213 Y HN 0.557 nan 8.280 nan 0.000 0.454 214 L N 4.701 125.799 121.223 -0.208 0.000 2.354 214 L HA 0.603 4.944 4.340 0.001 0.000 0.269 214 L C -0.991 175.555 176.870 -0.541 0.000 1.005 214 L CA -0.968 53.719 54.840 -0.255 0.000 0.819 214 L CB 2.409 44.485 42.059 0.029 0.000 1.311 214 L HN 0.606 nan 8.230 nan 0.000 0.423 215 E N 2.141 122.196 120.200 -0.243 0.000 2.155 215 E HA 0.529 4.879 4.350 0.001 0.000 0.264 215 E C -1.281 175.305 176.600 -0.023 0.000 0.886 215 E CA -0.647 55.681 56.400 -0.121 0.000 0.752 215 E CB 2.089 31.797 29.700 0.013 0.000 1.133 215 E HN 0.201 nan 8.360 nan 0.000 0.414 216 L N 2.032 123.242 121.223 -0.020 0.000 2.331 216 L HA 0.248 4.589 4.340 0.001 0.000 0.268 216 L C 1.438 178.330 176.870 0.036 0.000 1.015 216 L CA 0.004 54.865 54.840 0.035 0.000 0.807 216 L CB 0.892 43.009 42.059 0.096 0.000 1.293 216 L HN 0.566 nan 8.230 nan 0.000 0.451 217 E N 0.787 121.025 120.200 0.062 0.000 2.130 217 E HA -0.178 4.172 4.350 0.001 0.000 0.196 217 E C 1.285 177.920 176.600 0.057 0.000 0.998 217 E CA 1.425 57.859 56.400 0.056 0.000 0.806 217 E CB -0.023 29.716 29.700 0.064 0.000 0.738 217 E HN 0.865 nan 8.360 nan 0.000 0.459 218 G N -0.740 108.119 108.800 0.099 0.000 3.126 218 G HA2 0.469 4.429 3.960 0.001 0.000 0.224 218 G HA3 0.469 4.429 3.960 0.001 0.000 0.224 218 G C -0.104 174.734 174.900 -0.103 0.000 1.142 218 G CA 0.385 45.547 45.100 0.104 0.000 0.759 218 G HN 0.302 nan 8.290 nan 0.000 0.550 219 A N 0.267 122.965 122.820 -0.203 0.000 2.590 219 A HA 0.688 5.009 4.320 0.001 0.000 0.294 219 A C -0.791 176.648 177.584 -0.241 0.000 1.046 219 A CA -1.008 50.773 52.037 -0.426 0.000 0.684 219 A CB 0.886 19.132 19.000 -1.255 0.000 1.279 219 A HN 0.436 nan 8.150 nan 0.000 0.415 220 R N 0.343 120.735 120.500 -0.181 0.000 2.604 220 R HA 0.848 5.188 4.340 0.001 0.000 0.287 220 R C -1.453 174.805 176.300 -0.070 0.000 0.970 220 R CA -0.686 55.349 56.100 -0.109 0.000 0.946 220 R CB 1.688 32.027 30.300 0.065 0.000 1.127 220 R HN 0.488 nan 8.270 nan 0.000 0.473 221 V N 2.831 122.706 119.914 -0.065 0.000 2.567 221 V HA 0.393 4.513 4.120 0.001 0.000 0.298 221 V C -0.370 175.905 176.094 0.301 0.000 1.047 221 V CA -0.852 61.516 62.300 0.113 0.000 0.880 221 V CB 1.691 33.616 31.823 0.170 0.000 1.009 221 V HN 0.746 nan 8.190 nan 0.000 0.429 222 R N 5.335 126.043 120.500 0.347 0.000 2.229 222 R HA 0.519 4.859 4.340 0.001 0.000 0.328 222 R C -0.909 175.640 176.300 0.415 0.000 1.009 222 R CA -0.380 55.946 56.100 0.378 0.000 0.864 222 R CB 1.442 31.888 30.300 0.242 0.000 1.085 222 R HN 0.837 nan 8.270 nan 0.000 0.453 223 W N 3.482 124.938 121.300 0.260 0.000 2.864 223 W HA 0.600 5.261 4.660 0.001 0.000 0.343 223 W C -1.854 174.627 176.519 -0.064 0.000 1.109 223 W CA -1.496 55.887 57.345 0.063 0.000 1.192 223 W CB 0.751 30.189 29.460 -0.037 0.000 1.426 223 W HN 0.463 nan 8.180 nan 0.000 0.529 224 F N 4.118 123.860 119.950 -0.346 0.000 2.588 224 F HA 0.588 5.116 4.527 0.000 0.000 0.314 224 F C -2.152 173.507 175.800 -0.234 0.000 1.134 224 F CA -1.004 56.673 58.000 -0.538 0.000 0.961 224 F CB 1.683 39.912 39.000 -1.285 0.000 1.239 224 F HN 0.296 nan 8.300 nan 0.000 0.448 225 L N 5.472 126.416 121.223 -0.466 0.000 2.409 225 L HA 0.832 5.172 4.340 0.001 0.000 0.272 225 L C -1.487 175.125 176.870 -0.430 0.000 0.980 225 L CA -0.170 54.580 54.840 -0.151 0.000 0.826 225 L CB 1.815 44.022 42.059 0.245 0.000 1.268 225 L HN 0.561 nan 8.230 nan 0.000 0.407 226 S N 3.787 119.376 115.700 -0.185 0.000 2.541 226 S HA 0.571 5.041 4.470 0.001 0.000 0.271 226 S C 0.341 174.936 174.600 -0.008 0.000 1.133 226 S CA -0.540 57.568 58.200 -0.154 0.000 0.876 226 S CB 1.092 64.195 63.200 -0.161 0.000 1.105 226 S HN 0.756 nan 8.310 nan 0.000 0.470 227 I N 0.040 120.572 120.570 -0.063 0.000 3.928 227 I HA 0.450 4.620 4.170 0.001 0.000 0.335 227 I C 0.195 176.272 176.117 -0.067 0.000 1.325 227 I CA -0.269 60.938 61.300 -0.154 0.000 1.107 227 I CB 0.048 37.803 38.000 -0.409 0.000 1.014 227 I HN 0.363 nan 8.210 nan 0.000 0.400 228 D N 4.050 124.511 120.400 0.102 0.000 2.316 228 D HA 0.187 4.827 4.640 0.001 0.000 0.245 228 D C -1.487 174.921 176.300 0.179 0.000 1.171 228 D CA -2.350 51.741 54.000 0.151 0.000 0.856 228 D CB 1.753 42.725 40.800 0.286 0.000 1.090 228 D HN 0.034 nan 8.370 nan 0.000 0.476 229 P HA -0.121 nan 4.420 nan 0.000 0.225 229 P C 1.153 178.462 177.300 0.015 0.000 1.148 229 P CA 0.601 63.732 63.100 0.052 0.000 0.779 229 P CB 0.002 31.708 31.700 0.011 0.000 0.780 230 S N -1.292 114.366 115.700 -0.069 0.000 2.469 230 S HA -0.124 4.346 4.470 0.001 0.000 0.238 230 S C 1.545 175.979 174.600 -0.278 0.000 0.998 230 S CA 0.743 58.813 58.200 -0.217 0.000 0.957 230 S CB -1.605 61.392 63.200 -0.338 0.000 0.764 230 S HN 0.015 nan 8.310 nan 0.000 0.514 231 F N 1.900 121.863 119.950 0.021 0.000 2.710 231 F HA 0.281 4.809 4.527 0.000 0.000 0.298 231 F C 0.969 176.787 175.800 0.029 0.000 1.137 231 F CA -0.463 57.553 58.000 0.026 0.000 1.444 231 F CB -0.420 38.751 39.000 0.284 0.000 1.111 231 F HN -0.027 nan 8.300 nan 0.000 0.580 232 V N 2.812 122.814 119.914 0.146 0.000 2.599 232 V HA -0.009 4.112 4.120 0.001 0.000 0.300 232 V C -1.866 174.153 176.094 -0.126 0.000 1.034 232 V CA -1.582 60.742 62.300 0.040 0.000 1.115 232 V CB 0.012 31.847 31.823 0.020 0.000 0.934 232 V HN -0.099 nan 8.190 nan 0.000 0.485 233 P HA -0.023 nan 4.420 nan 0.000 0.261 233 P C 0.959 178.139 177.300 -0.200 0.000 1.183 233 P CA 0.370 63.301 63.100 -0.281 0.000 0.761 233 P CB 0.455 31.900 31.700 -0.424 0.000 0.785 234 E N 6.123 126.222 120.200 -0.168 0.000 2.068 234 E HA -0.249 4.101 4.350 0.001 0.000 0.207 234 E C -0.786 175.754 176.600 -0.100 0.000 1.032 234 E CA 2.230 58.554 56.400 -0.126 0.000 0.839 234 E CB -1.423 28.207 29.700 -0.117 0.000 0.758 234 E HN 0.378 nan 8.360 nan 0.000 0.457 235 P HA -0.215 nan 4.420 nan 0.000 0.219 235 P C 1.573 178.835 177.300 -0.064 0.000 1.161 235 P CA 1.732 64.790 63.100 -0.069 0.000 0.909 235 P CB -0.291 31.371 31.700 -0.063 0.000 0.793 236 L N -2.007 119.163 121.223 -0.088 0.000 2.131 236 L HA -0.012 4.328 4.340 0.001 0.000 0.206 236 L C 2.823 179.663 176.870 -0.049 0.000 1.087 236 L CA 1.028 55.830 54.840 -0.063 0.000 0.767 236 L CB -0.816 41.196 42.059 -0.079 0.000 0.917 236 L HN -0.132 nan 8.230 nan 0.000 0.441 237 R N 0.670 121.130 120.500 -0.067 0.000 2.094 237 R HA -0.223 4.117 4.340 0.001 0.000 0.239 237 R C 2.432 178.708 176.300 -0.039 0.000 1.137 237 R CA 1.754 57.824 56.100 -0.051 0.000 0.943 237 R CB -0.296 29.962 30.300 -0.069 0.000 0.850 237 R HN 0.116 nan 8.270 nan 0.000 0.433 238 R N 0.854 121.327 120.500 -0.045 0.000 2.208 238 R HA -0.225 4.115 4.340 0.001 0.000 0.262 238 R C 1.701 177.987 176.300 -0.022 0.000 1.166 238 R CA 1.950 58.030 56.100 -0.034 0.000 0.987 238 R CB -0.266 30.012 30.300 -0.035 0.000 0.887 238 R HN 0.288 nan 8.270 nan 0.000 0.459 239 Q N -1.482 118.307 119.800 -0.018 0.000 2.246 239 Q HA 0.105 4.445 4.340 0.001 0.000 0.202 239 Q C 0.317 176.316 176.000 -0.001 0.000 0.883 239 Q CA 0.522 56.321 55.803 -0.007 0.000 0.952 239 Q CB 0.521 29.257 28.738 -0.003 0.000 1.078 239 Q HN 0.609 nan 8.270 nan 0.000 0.493 240 G N 1.500 110.297 108.800 -0.005 0.000 2.184 240 G HA2 -0.222 3.738 3.960 0.001 0.000 0.264 240 G HA3 -0.222 3.738 3.960 0.001 0.000 0.264 240 G C -0.111 174.794 174.900 0.009 0.000 0.975 240 G CA 0.033 45.134 45.100 0.002 0.000 0.642 240 G HN 0.138 nan 8.290 nan 0.000 0.536 241 K N 0.335 120.740 120.400 0.009 0.000 2.412 241 K HA 0.335 4.656 4.320 0.001 0.000 0.281 241 K C 1.371 177.984 176.600 0.022 0.000 1.027 241 K CA -0.109 56.191 56.287 0.022 0.000 0.989 241 K CB 0.667 33.183 32.500 0.027 0.000 0.935 241 K HN 0.504 nan 8.250 nan 0.000 0.475 242 R N 0.566 121.083 120.500 0.029 0.000 2.397 242 R HA 0.111 4.451 4.340 0.001 0.000 0.241 242 R C -0.023 176.299 176.300 0.036 0.000 0.914 242 R CA 0.140 56.258 56.100 0.029 0.000 1.071 242 R CB 0.740 31.056 30.300 0.025 0.000 1.116 242 R HN 0.381 nan 8.270 nan 0.000 0.524 243 T N 0.175 114.753 114.554 0.039 0.000 2.886 243 T HA 0.367 4.718 4.350 0.001 0.000 0.292 243 T C -1.997 172.745 174.700 0.070 0.000 1.012 243 T CA -0.438 61.668 62.100 0.011 0.000 0.982 243 T CB 1.824 70.656 68.868 -0.059 0.000 1.018 243 T HN 0.020 nan 8.240 nan 0.000 0.451 244 Y N 2.849 123.067 120.300 -0.136 0.000 2.330 244 Y HA 0.572 5.122 4.550 0.000 0.000 0.324 244 Y C -1.074 174.638 175.900 -0.313 0.000 1.093 244 Y CA -1.062 56.950 58.100 -0.148 0.000 1.103 244 Y CB 1.073 39.524 38.460 -0.015 0.000 1.183 244 Y HN 0.545 nan 8.280 nan 0.000 0.433 245 R N 4.277 124.190 120.500 -0.978 0.000 2.502 245 R HA 0.709 5.049 4.340 0.001 0.000 0.300 245 R C -1.229 174.309 176.300 -1.270 0.000 0.984 245 R CA -0.702 54.615 56.100 -1.305 0.000 0.882 245 R CB 1.907 31.128 30.300 -1.797 0.000 1.180 245 R HN 0.740 nan 8.270 nan 0.000 0.444 246 S N 2.555 117.738 115.700 -0.861 0.000 2.564 246 S HA 0.589 5.059 4.470 0.001 0.000 0.274 246 S C -0.765 173.871 174.600 0.060 0.000 1.124 246 S CA -0.908 57.107 58.200 -0.309 0.000 0.869 246 S CB 1.925 64.939 63.200 -0.311 0.000 1.105 246 S HN 0.600 nan 8.310 nan 0.000 0.472 247 I N 1.697 122.418 120.570 0.251 0.000 2.436 247 I HA 0.747 4.917 4.170 0.001 0.000 0.289 247 I C -0.621 175.576 176.117 0.133 0.000 1.010 247 I CA -0.941 60.479 61.300 0.200 0.000 1.098 247 I CB 1.427 39.568 38.000 0.236 0.000 1.266 247 I HN 1.018 nan 8.210 nan 0.000 0.434 248 A N 7.397 130.277 122.820 0.101 0.000 2.271 248 A HA 0.664 4.985 4.320 0.001 0.000 0.317 248 A C -1.256 176.376 177.584 0.081 0.000 1.245 248 A CA -0.496 51.590 52.037 0.081 0.000 0.857 248 A CB 1.387 20.420 19.000 0.054 0.000 1.175 248 A HN 0.672 nan 8.150 nan 0.000 0.512 249 V N 2.765 122.730 119.914 0.086 0.000 2.623 249 V HA 0.520 4.640 4.120 0.001 0.000 0.304 249 V C -1.097 175.032 176.094 0.058 0.000 1.054 249 V CA -0.555 61.792 62.300 0.079 0.000 0.882 249 V CB 1.291 33.203 31.823 0.148 0.000 1.002 249 V HN 0.975 nan 8.190 nan 0.000 0.424 250 D N 5.323 125.743 120.400 0.034 0.000 3.060 250 D HA -0.113 4.528 4.640 0.001 0.000 0.209 250 D C 1.143 177.462 176.300 0.032 0.000 1.232 250 D CA 2.134 56.151 54.000 0.027 0.000 0.841 250 D CB -0.960 39.855 40.800 0.026 0.000 0.863 250 D HN 1.819 nan 8.370 nan 0.000 0.389 251 G N 0.967 109.785 108.800 0.030 0.000 2.160 251 G HA2 -0.261 3.699 3.960 0.001 0.000 0.251 251 G HA3 -0.261 3.699 3.960 0.001 0.000 0.251 251 G C 0.083 175.005 174.900 0.037 0.000 1.008 251 G CA 0.790 45.908 45.100 0.030 0.000 0.724 251 G HN 0.893 nan 8.290 nan 0.000 0.514 252 E N -0.961 119.266 120.200 0.045 0.000 2.352 252 E HA 0.660 5.011 4.350 0.001 0.000 0.280 252 E C -0.960 175.677 176.600 0.063 0.000 0.930 252 E CA -0.938 55.493 56.400 0.051 0.000 0.765 252 E CB 1.487 31.216 29.700 0.048 0.000 1.219 252 E HN 0.331 nan 8.360 nan 0.000 0.434 253 E N 2.592 122.834 120.200 0.069 0.000 2.241 253 E HA 0.463 4.813 4.350 0.001 0.000 0.263 253 E C -1.851 174.805 176.600 0.093 0.000 0.882 253 E CA -0.887 55.563 56.400 0.084 0.000 0.769 253 E CB 2.040 31.794 29.700 0.090 0.000 1.185 253 E HN 0.339 nan 8.360 nan 0.000 0.415 254 V N 4.424 124.403 119.914 0.108 0.000 2.378 254 V HA 0.310 4.430 4.120 0.001 0.000 0.288 254 V C -0.167 176.038 176.094 0.186 0.000 1.016 254 V CA -0.748 61.623 62.300 0.118 0.000 0.840 254 V CB 1.436 33.305 31.823 0.077 0.000 0.994 254 V HN 0.782 nan 8.190 nan 0.000 0.431 255 E N 4.307 124.600 120.200 0.155 0.000 2.249 255 E HA 0.449 4.799 4.350 0.001 0.000 0.280 255 E C -1.019 175.705 176.600 0.206 0.000 1.016 255 E CA -0.459 56.013 56.400 0.119 0.000 0.830 255 E CB 1.090 30.853 29.700 0.105 0.000 1.081 255 E HN 0.658 nan 8.360 nan 0.000 0.395 256 F N 1.725 121.617 119.950 -0.095 0.000 2.505 256 F HA 0.364 4.891 4.527 0.001 0.000 0.383 256 F C 0.286 176.164 175.800 0.130 0.000 1.509 256 F CA -0.677 57.278 58.000 -0.076 0.000 1.101 256 F CB -0.163 38.598 39.000 -0.398 0.000 1.367 256 F HN 0.149 nan 8.300 nan 0.000 0.523 257 S N 0.126 115.805 115.700 -0.034 0.000 2.387 257 S HA -0.069 4.402 4.470 0.001 0.000 0.226 257 S C 0.773 175.528 174.600 0.259 0.000 1.026 257 S CA 1.295 59.482 58.200 -0.022 0.000 0.972 257 S CB -0.194 63.001 63.200 -0.008 0.000 0.814 257 S HN 0.819 nan 8.310 nan 0.000 0.477 258 E N -0.811 119.598 120.200 0.348 0.000 2.334 258 E HA 0.633 4.983 4.350 0.001 0.000 0.256 258 E C 0.382 177.199 176.600 0.362 0.000 0.958 258 E CA -0.658 55.973 56.400 0.386 0.000 0.821 258 E CB 1.018 30.842 29.700 0.207 0.000 1.269 258 E HN 0.078 nan 8.360 nan 0.000 0.413 259 G N -0.476 108.434 108.800 0.183 0.000 2.138 259 G HA2 -0.227 3.734 3.960 0.001 0.000 0.193 259 G HA3 -0.227 3.734 3.960 0.001 0.000 0.193 259 G C -0.007 174.693 174.900 -0.333 0.000 0.998 259 G CA 0.097 45.110 45.100 -0.145 0.000 0.668 259 G HN 0.379 nan 8.290 nan 0.000 0.516 260 F N 0.946 120.914 119.950 0.031 0.000 2.695 260 F HA 0.182 4.709 4.527 0.001 0.000 0.303 260 F C 2.439 178.261 175.800 0.036 0.000 1.091 260 F CA 0.970 59.000 58.000 0.050 0.000 1.300 260 F CB 0.250 39.319 39.000 0.114 0.000 1.071 260 F HN 0.133 nan 8.300 nan 0.000 0.578 261 T N -0.674 113.964 114.554 0.140 0.000 2.685 261 T HA -0.307 4.044 4.350 0.001 0.000 0.268 261 T C 1.358 176.090 174.700 0.054 0.000 1.034 261 T CA 2.175 64.325 62.100 0.083 0.000 1.149 261 T CB -0.254 68.641 68.868 0.045 0.000 0.860 261 T HN 0.257 nan 8.240 nan 0.000 0.449 262 D N -0.612 119.809 120.400 0.035 0.000 2.433 262 D HA 0.235 4.876 4.640 0.001 0.000 0.211 262 D C 1.700 178.028 176.300 0.046 0.000 1.114 262 D CA -0.125 53.888 54.000 0.021 0.000 0.837 262 D CB -0.057 40.739 40.800 -0.006 0.000 0.984 262 D HN 0.232 nan 8.370 nan 0.000 0.505 263 L N -0.204 121.071 121.223 0.087 0.000 2.141 263 L HA -0.098 4.243 4.340 0.001 0.000 0.209 263 L C 1.761 178.709 176.870 0.130 0.000 1.094 263 L CA 0.935 55.828 54.840 0.089 0.000 0.763 263 L CB -0.429 41.694 42.059 0.106 0.000 0.908 263 L HN 0.236 nan 8.230 nan 0.000 0.437 264 H N -0.571 118.520 119.070 0.035 0.000 2.387 264 H HA -0.125 4.431 4.556 0.000 0.000 0.299 264 H C 2.342 177.684 175.328 0.022 0.000 1.090 264 H CA 1.852 57.908 56.048 0.013 0.000 1.332 264 H CB -0.173 29.513 29.762 -0.127 0.000 1.386 264 H HN 0.152 nan 8.280 nan 0.000 0.516 265 T N -0.202 114.390 114.554 0.063 0.000 2.821 265 T HA -0.155 4.195 4.350 0.001 0.000 0.267 265 T C 1.877 176.611 174.700 0.057 0.000 1.046 265 T CA 1.503 63.602 62.100 -0.003 0.000 1.139 265 T CB -0.050 68.794 68.868 -0.039 0.000 0.871 265 T HN 0.357 nan 8.240 nan 0.000 0.454 266 E N 1.075 121.304 120.200 0.049 0.000 2.150 266 E HA -0.066 4.284 4.350 0.001 0.000 0.193 266 E C 2.023 178.643 176.600 0.033 0.000 0.985 266 E CA 0.728 57.148 56.400 0.033 0.000 0.814 266 E CB -0.524 29.189 29.700 0.021 0.000 0.752 266 E HN 0.261 nan 8.360 nan 0.000 0.466 267 V N 0.197 120.148 119.914 0.062 0.000 2.295 267 V HA -0.258 3.862 4.120 0.001 0.000 0.246 267 V C 1.910 177.986 176.094 -0.030 0.000 1.049 267 V CA 2.033 64.347 62.300 0.024 0.000 1.024 267 V CB -0.762 31.087 31.823 0.043 0.000 0.648 267 V HN 0.358 nan 8.190 nan 0.000 0.447 268 Y N 0.111 120.345 120.300 -0.110 0.000 2.165 268 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 268 Y C 2.840 178.662 175.900 -0.130 0.000 1.155 268 Y CA 2.099 60.124 58.100 -0.126 0.000 1.164 268 Y CB -0.186 38.202 38.460 -0.120 0.000 0.978 268 Y HN 0.070 nan 8.280 nan 0.000 0.513 269 R N 0.982 121.517 120.500 0.058 0.000 2.070 269 R HA -0.196 4.144 4.340 0.001 0.000 0.233 269 R C 2.025 178.280 176.300 -0.077 0.000 1.137 269 R CA 1.924 58.024 56.100 -0.000 0.000 0.945 269 R CB -0.181 30.123 30.300 0.006 0.000 0.845 269 R HN 0.282 nan 8.270 nan 0.000 0.430 270 K N -0.649 119.677 120.400 -0.123 0.000 2.063 270 K HA -0.106 4.214 4.320 0.001 0.000 0.208 270 K C 2.043 178.462 176.600 -0.302 0.000 1.048 270 K CA 2.130 58.293 56.287 -0.207 0.000 0.928 270 K CB -0.155 32.175 32.500 -0.284 0.000 0.713 270 K HN 0.253 nan 8.250 nan 0.000 0.442 271 T N 1.740 116.074 114.554 -0.366 0.000 2.821 271 T HA -0.037 4.314 4.350 0.001 0.000 0.267 271 T C 1.781 176.266 174.700 -0.359 0.000 1.046 271 T CA 0.851 62.633 62.100 -0.530 0.000 1.139 271 T CB -0.063 68.465 68.868 -0.568 0.000 0.871 271 T HN 0.112 nan 8.240 nan 0.000 0.454 272 L N 0.608 121.704 121.223 -0.212 0.000 2.291 272 L HA 0.118 4.459 4.340 0.001 0.000 0.214 272 L C 2.492 179.325 176.870 -0.063 0.000 1.120 272 L CA 0.543 55.328 54.840 -0.093 0.000 0.799 272 L CB -0.398 41.647 42.059 -0.022 0.000 0.925 272 L HN 0.211 nan 8.230 nan 0.000 0.446 273 A N -0.427 122.336 122.820 -0.094 0.000 2.302 273 A HA 0.357 4.678 4.320 0.001 0.000 0.219 273 A C 1.654 179.190 177.584 -0.080 0.000 1.243 273 A CA 0.565 52.562 52.037 -0.067 0.000 0.856 273 A CB -0.473 18.492 19.000 -0.058 0.000 0.893 273 A HN 0.480 nan 8.150 nan 0.000 0.491 274 G N -0.366 108.363 108.800 -0.118 0.000 2.155 274 G HA2 -0.275 3.686 3.960 0.001 0.000 0.257 274 G HA3 -0.275 3.686 3.960 0.001 0.000 0.257 274 G C 0.203 175.024 174.900 -0.131 0.000 0.983 274 G CA 0.596 45.634 45.100 -0.103 0.000 0.676 274 G HN 0.652 nan 8.290 nan 0.000 0.528 275 E N 0.208 120.286 120.200 -0.203 0.000 2.496 275 E HA 0.409 4.759 4.350 0.001 0.000 0.200 275 E C 1.494 177.836 176.600 -0.429 0.000 1.016 275 E CA -0.017 56.253 56.400 -0.217 0.000 0.962 275 E CB 0.607 30.210 29.700 -0.162 0.000 1.071 275 E HN 0.501 nan 8.360 nan 0.000 0.457 276 G N 0.487 108.953 108.800 -0.558 0.000 2.599 276 G HA2 0.245 4.205 3.960 0.001 0.000 0.264 276 G HA3 0.245 4.205 3.960 0.001 0.000 0.264 276 G C -0.480 174.118 174.900 -0.503 0.000 1.200 276 G CA -0.583 44.039 45.100 -0.798 0.000 0.896 276 G HN 0.041 nan 8.290 nan 0.000 0.536 277 F N 0.674 120.661 119.950 0.061 0.000 2.421 277 F HA 0.495 5.023 4.527 0.001 0.000 0.358 277 F C 1.070 177.015 175.800 0.242 0.000 1.115 277 F CA -0.524 57.543 58.000 0.112 0.000 1.160 277 F CB 0.843 39.844 39.000 0.002 0.000 1.123 277 F HN 0.532 nan 8.300 nan 0.000 0.508 278 G N 2.528 111.529 108.800 0.335 0.000 2.583 278 G HA2 0.415 4.376 3.960 0.001 0.000 0.280 278 G HA3 0.415 4.376 3.960 0.001 0.000 0.280 278 G C 0.821 175.774 174.900 0.089 0.000 1.376 278 G CA -0.811 44.385 45.100 0.160 0.000 1.043 278 G HN 0.632 nan 8.290 nan 0.000 0.538 279 L N -0.406 120.823 121.223 0.011 0.000 2.046 279 L HA -0.086 4.254 4.340 0.001 0.000 0.208 279 L C 2.461 179.351 176.870 0.033 0.000 1.077 279 L CA 1.187 56.036 54.840 0.015 0.000 0.747 279 L CB -0.230 41.823 42.059 -0.010 0.000 0.896 279 L HN 0.379 nan 8.230 nan 0.000 0.432 280 D N -0.140 120.285 120.400 0.042 0.000 2.117 280 D HA -0.183 4.457 4.640 0.001 0.000 0.197 280 D C 2.151 178.491 176.300 0.067 0.000 0.987 280 D CA 1.156 55.186 54.000 0.050 0.000 0.829 280 D CB -0.046 40.788 40.800 0.057 0.000 0.961 280 D HN 0.263 nan 8.370 nan 0.000 0.460 281 E N 0.396 120.655 120.200 0.099 0.000 2.106 281 E HA 0.011 4.362 4.350 0.001 0.000 0.192 281 E C 1.897 178.526 176.600 0.048 0.000 0.984 281 E CA 1.020 57.484 56.400 0.106 0.000 0.806 281 E CB -0.258 29.550 29.700 0.180 0.000 0.750 281 E HN 0.235 nan 8.360 nan 0.000 0.458 282 A N 0.362 123.208 122.820 0.043 0.000 2.123 282 A HA 0.242 4.563 4.320 0.001 0.000 0.214 282 A C 2.193 179.771 177.584 -0.011 0.000 1.152 282 A CA 1.028 53.067 52.037 0.003 0.000 0.728 282 A CB -0.302 18.710 19.000 0.020 0.000 0.814 282 A HN 0.239 nan 8.150 nan 0.000 0.464 283 A N 0.200 123.022 122.820 0.004 0.000 1.930 283 A HA -0.095 4.225 4.320 0.001 0.000 0.217 283 A C 1.937 179.507 177.584 -0.024 0.000 1.175 283 A CA 1.964 53.997 52.037 -0.007 0.000 0.627 283 A CB -0.360 18.642 19.000 0.004 0.000 0.815 283 A HN 0.488 nan 8.150 nan 0.000 0.443 284 E N 0.611 120.803 120.200 -0.014 0.000 2.051 284 E HA -0.080 4.271 4.350 0.001 0.000 0.192 284 E C 1.980 178.546 176.600 -0.057 0.000 0.991 284 E CA 1.754 58.141 56.400 -0.022 0.000 0.799 284 E CB -0.533 29.171 29.700 0.007 0.000 0.748 284 E HN 0.438 nan 8.360 nan 0.000 0.449 285 A N 0.323 123.110 122.820 -0.056 0.000 1.933 285 A HA -0.106 4.214 4.320 0.001 0.000 0.218 285 A C 2.377 179.874 177.584 -0.145 0.000 1.175 285 A CA 1.460 53.444 52.037 -0.088 0.000 0.628 285 A CB -0.701 18.255 19.000 -0.073 0.000 0.814 285 A HN 0.353 nan 8.150 nan 0.000 0.444 286 I N -0.869 119.631 120.570 -0.117 0.000 2.226 286 I HA -0.268 3.902 4.170 0.001 0.000 0.245 286 I C 2.673 178.701 176.117 -0.149 0.000 1.100 286 I CA 1.695 62.912 61.300 -0.138 0.000 1.374 286 I CB -0.274 37.669 38.000 -0.095 0.000 1.057 286 I HN 0.364 nan 8.210 nan 0.000 0.413 287 R N 0.695 121.130 120.500 -0.109 0.000 2.083 287 R HA -0.171 4.170 4.340 0.001 0.000 0.237 287 R C 2.258 178.462 176.300 -0.160 0.000 1.137 287 R CA 1.835 57.876 56.100 -0.097 0.000 0.951 287 R CB -0.216 30.047 30.300 -0.061 0.000 0.851 287 R HN 0.189 nan 8.270 nan 0.000 0.434 288 V N 0.937 120.714 119.914 -0.227 0.000 2.358 288 V HA -0.186 3.934 4.120 0.001 0.000 0.246 288 V C 2.489 178.281 176.094 -0.504 0.000 1.047 288 V CA 1.819 63.900 62.300 -0.364 0.000 1.035 288 V CB -0.663 30.883 31.823 -0.463 0.000 0.658 288 V HN 0.537 nan 8.190 nan 0.000 0.452 289 A N 0.041 122.565 122.820 -0.494 0.000 1.930 289 A HA -0.063 4.258 4.320 0.001 0.000 0.217 289 A C 2.410 179.788 177.584 -0.343 0.000 1.175 289 A CA 1.905 53.644 52.037 -0.497 0.000 0.627 289 A CB -0.678 18.101 19.000 -0.368 0.000 0.815 289 A HN 0.552 nan 8.150 nan 0.000 0.443 290 A N -0.413 122.247 122.820 -0.268 0.000 1.930 290 A HA 0.001 4.321 4.320 0.001 0.000 0.217 290 A C 2.166 179.699 177.584 -0.085 0.000 1.175 290 A CA 1.351 53.281 52.037 -0.179 0.000 0.627 290 A CB -0.539 18.428 19.000 -0.055 0.000 0.815 290 A HN 0.465 nan 8.150 nan 0.000 0.443 291 L N -0.536 120.618 121.223 -0.116 0.000 1.989 291 L HA -0.192 4.148 4.340 0.001 0.000 0.211 291 L C 2.475 179.287 176.870 -0.098 0.000 1.071 291 L CA 1.317 56.103 54.840 -0.089 0.000 0.749 291 L CB -0.408 41.581 42.059 -0.117 0.000 0.890 291 L HN 0.393 nan 8.230 nan 0.000 0.431 292 L N -0.824 120.293 121.223 -0.178 0.000 2.261 292 L HA -0.247 4.093 4.340 0.001 0.000 0.216 292 L C 2.668 179.502 176.870 -0.061 0.000 1.114 292 L CA 0.949 55.711 54.840 -0.131 0.000 0.777 292 L CB -0.488 41.419 42.059 -0.253 0.000 0.910 292 L HN 0.272 nan 8.230 nan 0.000 0.440 293 R N -0.353 120.101 120.500 -0.077 0.000 2.115 293 R HA -0.113 4.227 4.340 0.001 0.000 0.226 293 R C 2.200 178.509 176.300 0.015 0.000 1.100 293 R CA 1.773 57.850 56.100 -0.038 0.000 0.980 293 R CB 0.065 30.323 30.300 -0.069 0.000 0.875 293 R HN 0.450 nan 8.270 nan 0.000 0.445 294 T N -2.478 112.091 114.554 0.026 0.000 2.985 294 T HA 0.139 4.489 4.350 0.001 0.000 0.254 294 T C 0.470 175.188 174.700 0.030 0.000 1.021 294 T CA -0.440 61.686 62.100 0.043 0.000 0.957 294 T CB 0.192 69.098 68.868 0.063 0.000 1.047 294 T HN -0.074 nan 8.240 nan 0.000 0.511 295 L N 3.773 125.008 121.223 0.020 0.000 2.490 295 L HA 0.392 4.732 4.340 0.001 0.000 0.274 295 L C -2.257 174.633 176.870 0.032 0.000 1.201 295 L CA -1.815 53.038 54.840 0.022 0.000 0.869 295 L CB 0.237 42.303 42.059 0.013 0.000 1.123 295 L HN 0.065 nan 8.230 nan 0.000 0.484 296 P HA 0.150 nan 4.420 nan 0.000 0.271 296 P C -0.533 176.797 177.300 0.051 0.000 1.218 296 P CA -0.372 62.752 63.100 0.040 0.000 0.780 296 P CB 0.447 32.171 31.700 0.039 0.000 0.901 297 L N 1.465 122.719 121.223 0.053 0.000 2.482 297 L HA 0.236 4.576 4.340 0.001 0.000 0.273 297 L C 0.929 177.848 176.870 0.082 0.000 1.228 297 L CA 0.808 55.689 54.840 0.068 0.000 0.827 297 L CB 0.166 42.261 42.059 0.059 0.000 1.099 297 L HN 0.550 nan 8.230 nan 0.000 0.494 298 S N 0.596 116.370 115.700 0.123 0.000 2.595 298 S HA 0.387 4.858 4.470 0.001 0.000 0.281 298 S C -0.949 173.714 174.600 0.105 0.000 1.117 298 S CA -1.131 57.139 58.200 0.117 0.000 0.873 298 S CB 1.845 65.130 63.200 0.141 0.000 1.108 298 S HN 0.438 nan 8.310 nan 0.000 0.477 299 Q N 2.477 122.301 119.800 0.039 0.000 2.281 299 Q HA 0.317 4.657 4.340 0.001 0.000 0.267 299 Q C -2.137 173.791 176.000 -0.120 0.000 1.053 299 Q CA -1.302 54.481 55.803 -0.034 0.000 0.905 299 Q CB 0.544 29.269 28.738 -0.022 0.000 1.195 299 Q HN 0.540 nan 8.270 nan 0.000 0.398 300 P HA 0.047 nan 4.420 nan 0.000 0.275 300 P C -0.370 176.768 177.300 -0.269 0.000 1.228 300 P CA -0.246 62.530 63.100 -0.540 0.000 0.786 300 P CB 0.782 31.870 31.700 -1.021 0.000 0.927 301 S N 2.419 117.997 115.700 -0.203 0.000 2.585 301 S HA 0.190 4.660 4.470 0.001 0.000 0.273 301 S C -1.621 172.880 174.600 -0.166 0.000 1.339 301 S CA -0.787 57.326 58.200 -0.146 0.000 1.028 301 S CB 0.074 63.202 63.200 -0.121 0.000 0.906 301 S HN 0.226 nan 8.310 nan 0.000 0.528 302 P HA -0.149 nan 4.420 nan 0.000 0.216 302 P C 1.359 178.594 177.300 -0.108 0.000 1.150 302 P CA 1.642 64.681 63.100 -0.102 0.000 0.837 302 P CB -0.099 31.559 31.700 -0.069 0.000 0.786 303 E N -1.241 118.890 120.200 -0.114 0.000 2.358 303 E HA -0.093 4.257 4.350 0.001 0.000 0.195 303 E C 1.034 177.527 176.600 -0.178 0.000 1.010 303 E CA 0.662 56.995 56.400 -0.111 0.000 0.856 303 E CB -0.671 28.978 29.700 -0.085 0.000 0.795 303 E HN 0.137 nan 8.360 nan 0.000 0.504 304 N N 0.958 119.491 118.700 -0.278 0.000 2.336 304 N HA 0.028 4.768 4.740 0.001 0.000 0.189 304 N C -0.305 175.114 175.510 -0.152 0.000 1.113 304 N CA 0.097 52.857 53.050 -0.483 0.000 0.858 304 N CB 0.251 38.282 38.487 -0.760 0.000 0.970 304 N HN 0.158 nan 8.380 nan 0.000 0.471 305 R N 1.122 121.560 120.500 -0.103 0.000 2.254 305 R HA 0.067 4.407 4.340 0.001 0.000 0.318 305 R C -0.182 176.159 176.300 0.068 0.000 1.031 305 R CA -0.461 55.625 56.100 -0.023 0.000 0.905 305 R CB 0.391 30.637 30.300 -0.090 0.000 1.050 305 R HN 0.140 nan 8.270 nan 0.000 0.456 306 H N 6.174 125.278 119.070 0.056 0.000 3.034 306 H HA 0.021 4.578 4.556 0.000 0.000 0.324 306 H C -1.744 173.593 175.328 0.016 0.000 1.015 306 H CA -1.156 54.903 56.048 0.017 0.000 1.429 306 H CB 1.530 31.294 29.762 0.004 0.000 1.429 306 H HN 0.521 nan 8.280 nan 0.000 0.585 307 P HA -0.182 nan 4.420 nan 0.000 0.217 307 P C 1.152 178.612 177.300 0.267 0.000 1.148 307 P CA 1.135 64.236 63.100 0.001 0.000 0.828 307 P CB -0.017 31.635 31.700 -0.080 0.000 0.783 308 F N -1.539 118.476 119.950 0.107 0.000 2.604 308 F HA 0.030 4.557 4.527 0.000 0.000 0.298 308 F C 1.945 177.695 175.800 -0.084 0.000 1.131 308 F CA 0.436 58.339 58.000 -0.161 0.000 1.457 308 F CB -1.246 37.224 39.000 -0.884 0.000 1.095 308 F HN -0.076 nan 8.300 nan 0.000 0.574 309 L N -1.273 120.088 121.223 0.231 0.000 2.477 309 L HA 0.239 4.579 4.340 0.001 0.000 0.220 309 L C 1.833 178.775 176.870 0.121 0.000 1.106 309 L CA 0.056 55.010 54.840 0.190 0.000 0.851 309 L CB -1.068 41.096 42.059 0.175 0.000 0.994 309 L HN 0.054 nan 8.230 nan 0.000 0.462 310 G N 0.000 108.867 108.800 0.111 0.000 5.446 310 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 310 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 310 G CA 0.000 45.134 45.100 0.057 0.000 0.502 310 G HN 0.000 nan 8.290 nan 0.000 0.925