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 2esn_1_A DATA FIRST_RESID 3 DATA SEQUENCE PLLRRLDLNL LLVFDALYRH RNVGTAASEL AISASAFSHA LGRLRQGLDD DATA SEQUENCE ELFLRQGNRM QPTQRAEHLA AAVAAALRAL GEGLEEWRPF VPGQSQRTFV DATA SEQUENCE FAATDYTAFA LLPPLMNRLQ HSAPGVRLRL VNAERKLSVE ALASGRIDFA DATA SEQUENCE LGYDEEHERL PEGIQAHDWF ADRYVVVARR DHPRLAGAPT LEGYLAERHA DATA SEQUENCE VVTPWNEDSG VIDRLLARSG LRREVAVQLP TVLAALFLAG STDFLLTAPR DATA SEQUENCE HAARALAEAA GLALYPAPFD IPPYVLRLYS HVQXXGRDAH AWMIGQLKGL DATA SEQUENCE D 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 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.287 177.300 -0.022 0.000 1.155 3 P CA 0.000 63.088 63.100 -0.020 0.000 0.800 3 P CB 0.000 31.689 31.700 -0.019 0.000 0.726 4 L N -3.390 117.817 121.223 -0.026 0.000 3.128 4 L HA 0.468 4.807 4.340 -0.001 0.000 0.277 4 L C 1.504 178.354 176.870 -0.034 0.000 1.171 4 L CA -0.170 54.653 54.840 -0.029 0.000 1.008 4 L CB -0.158 41.882 42.059 -0.031 0.000 1.442 4 L HN -0.143 nan 8.230 nan 0.000 0.584 5 L N 1.595 122.798 121.223 -0.034 0.000 2.179 5 L HA 0.066 4.406 4.340 -0.001 0.000 0.208 5 L C 2.915 179.766 176.870 -0.032 0.000 1.096 5 L CA 1.499 56.318 54.840 -0.037 0.000 0.779 5 L CB -0.420 41.617 42.059 -0.035 0.000 0.922 5 L HN 0.415 nan 8.230 nan 0.000 0.443 6 R N -1.625 118.859 120.500 -0.027 0.000 2.236 6 R HA 0.011 4.351 4.340 -0.001 0.000 0.208 6 R C 1.698 177.984 176.300 -0.023 0.000 1.036 6 R CA 0.353 56.439 56.100 -0.024 0.000 1.001 6 R CB -0.345 29.943 30.300 -0.021 0.000 0.896 6 R HN 0.199 nan 8.270 nan 0.000 0.464 7 R N 0.836 121.322 120.500 -0.023 0.000 2.140 7 R HA 0.213 4.552 4.340 -0.001 0.000 0.213 7 R C 0.919 177.206 176.300 -0.022 0.000 1.059 7 R CA -0.004 56.083 56.100 -0.021 0.000 1.000 7 R CB -0.227 30.062 30.300 -0.019 0.000 0.910 7 R HN 0.207 nan 8.270 nan 0.000 0.455 8 L N 3.364 124.571 121.223 -0.027 0.000 2.477 8 L HA 0.002 4.341 4.340 -0.001 0.000 0.272 8 L C -0.242 176.612 176.870 -0.026 0.000 1.157 8 L CA 0.156 54.979 54.840 -0.029 0.000 0.889 8 L CB 0.484 42.518 42.059 -0.041 0.000 1.158 8 L HN 0.015 nan 8.230 nan 0.000 0.473 9 D N 5.173 125.560 120.400 -0.022 0.000 2.359 9 D HA -0.025 4.615 4.640 -0.001 0.000 0.273 9 D C 1.343 177.630 176.300 -0.022 0.000 1.362 9 D CA 0.107 54.095 54.000 -0.020 0.000 1.010 9 D CB 0.485 41.275 40.800 -0.016 0.000 1.090 9 D HN 0.512 nan 8.370 nan 0.000 0.521 10 L N 3.106 124.314 121.223 -0.025 0.000 2.187 10 L HA -0.205 4.134 4.340 -0.001 0.000 0.213 10 L C 1.796 178.657 176.870 -0.015 0.000 1.100 10 L CA 0.868 55.693 54.840 -0.025 0.000 0.765 10 L CB -0.453 41.588 42.059 -0.029 0.000 0.904 10 L HN 0.368 nan 8.230 nan 0.000 0.437 11 N N -0.208 118.484 118.700 -0.014 0.000 2.272 11 N HA -0.186 4.554 4.740 -0.001 0.000 0.185 11 N C 1.534 177.044 175.510 -0.001 0.000 1.014 11 N CA 0.617 53.663 53.050 -0.007 0.000 0.870 11 N CB -0.069 38.412 38.487 -0.011 0.000 0.975 11 N HN 0.133 nan 8.380 nan 0.000 0.433 12 L N 0.743 121.963 121.223 -0.005 0.000 2.275 12 L HA 0.008 4.347 4.340 -0.001 0.000 0.215 12 L C 1.693 178.590 176.870 0.044 0.000 1.119 12 L CA 1.043 55.882 54.840 -0.001 0.000 0.790 12 L CB -0.914 41.144 42.059 -0.002 0.000 0.919 12 L HN 0.340 nan 8.230 nan 0.000 0.443 13 L N -1.448 119.801 121.223 0.043 0.000 2.191 13 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 13 L C 2.350 179.308 176.870 0.147 0.000 1.103 13 L CA 0.840 55.729 54.840 0.082 0.000 0.769 13 L CB -0.351 41.720 42.059 0.020 0.000 0.908 13 L HN 0.277 nan 8.230 nan 0.000 0.438 14 L N -1.265 120.018 121.223 0.098 0.000 2.093 14 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 14 L C 2.504 179.462 176.870 0.146 0.000 1.085 14 L CA 0.717 55.624 54.840 0.113 0.000 0.755 14 L CB -0.469 41.635 42.059 0.076 0.000 0.904 14 L HN 0.050 nan 8.230 nan 0.000 0.435 15 V N -0.299 119.665 119.914 0.085 0.000 2.270 15 V HA -0.321 3.798 4.120 -0.001 0.000 0.245 15 V C 2.254 178.435 176.094 0.144 0.000 1.043 15 V CA 1.980 64.275 62.300 -0.009 0.000 1.014 15 V CB -0.578 31.079 31.823 -0.276 0.000 0.645 15 V HN 0.328 nan 8.190 nan 0.000 0.447 16 F N 1.512 121.516 119.950 0.089 0.000 2.091 16 F HA -0.296 4.231 4.527 -0.001 0.000 0.299 16 F C 2.218 178.183 175.800 0.274 0.000 1.103 16 F CA 2.520 60.657 58.000 0.229 0.000 1.228 16 F CB -0.334 38.772 39.000 0.177 0.000 0.984 16 F HN 0.297 nan 8.300 nan 0.000 0.477 17 D N -0.106 120.524 120.400 0.383 0.000 2.084 17 D HA -0.158 4.481 4.640 -0.001 0.000 0.196 17 D C 2.287 178.709 176.300 0.203 0.000 0.985 17 D CA 1.566 55.740 54.000 0.290 0.000 0.826 17 D CB -0.445 40.500 40.800 0.242 0.000 0.978 17 D HN 0.305 nan 8.370 nan 0.000 0.456 18 A N 0.487 123.440 122.820 0.221 0.000 1.917 18 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 18 A C 2.413 180.126 177.584 0.216 0.000 1.182 18 A CA 1.341 53.541 52.037 0.271 0.000 0.633 18 A CB -1.065 18.130 19.000 0.324 0.000 0.819 18 A HN 0.445 nan 8.150 nan 0.000 0.448 19 L N -2.348 118.940 121.223 0.109 0.000 2.093 19 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 19 L C 2.508 179.201 176.870 -0.294 0.000 1.085 19 L CA 1.787 56.503 54.840 -0.206 0.000 0.755 19 L CB -0.345 41.387 42.059 -0.546 0.000 0.904 19 L HN 0.634 nan 8.230 nan 0.000 0.435 20 Y N 0.447 120.644 120.300 -0.172 0.000 2.242 20 Y HA -0.230 4.319 4.550 -0.002 0.000 0.291 20 Y C 2.753 178.650 175.900 -0.004 0.000 1.137 20 Y CA 1.505 59.631 58.100 0.043 0.000 1.181 20 Y CB 0.003 38.416 38.460 -0.078 0.000 0.989 20 Y HN 0.022 nan 8.280 nan 0.000 0.527 21 R N -1.154 119.392 120.500 0.078 0.000 2.057 21 R HA -0.133 4.207 4.340 -0.001 0.000 0.229 21 R C 2.065 178.242 176.300 -0.206 0.000 1.136 21 R CA 1.573 57.628 56.100 -0.074 0.000 0.952 21 R CB -0.462 29.763 30.300 -0.126 0.000 0.848 21 R HN 0.468 nan 8.270 nan 0.000 0.430 22 H N 0.263 119.281 119.070 -0.087 0.000 2.482 22 H HA 0.125 4.680 4.556 -0.000 0.000 0.286 22 H C 0.405 175.640 175.328 -0.155 0.000 1.017 22 H CA 0.471 56.447 56.048 -0.121 0.000 1.322 22 H CB 0.369 30.045 29.762 -0.144 0.000 1.426 22 H HN 0.057 nan 8.280 nan 0.000 0.546 23 R N 0.857 121.301 120.500 -0.093 0.000 3.741 23 R HA -0.179 4.160 4.340 -0.001 0.000 0.292 23 R C -0.202 176.020 176.300 -0.129 0.000 1.176 23 R CA 0.495 56.514 56.100 -0.135 0.000 0.794 23 R CB -2.882 27.358 30.300 -0.101 0.000 1.213 23 R HN 0.520 nan 8.270 nan 0.000 0.494 24 N N -0.891 117.711 118.700 -0.163 0.000 2.521 24 N HA 0.114 4.854 4.740 -0.001 0.000 0.269 24 N C 0.523 175.858 175.510 -0.292 0.000 1.079 24 N CA -0.107 52.837 53.050 -0.177 0.000 0.980 24 N CB 1.898 40.305 38.487 -0.132 0.000 1.667 24 N HN -0.195 nan 8.380 nan 0.000 0.498 25 V N 3.131 122.863 119.914 -0.303 0.000 2.270 25 V HA -0.079 4.040 4.120 -0.001 0.000 0.245 25 V C 2.445 178.184 176.094 -0.591 0.000 1.043 25 V CA 2.553 64.561 62.300 -0.485 0.000 1.014 25 V CB -0.806 30.877 31.823 -0.233 0.000 0.645 25 V HN 0.842 nan 8.190 nan 0.000 0.447 26 G N -0.949 107.640 108.800 -0.352 0.000 2.476 26 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.218 26 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.218 26 G C 1.815 176.499 174.900 -0.360 0.000 1.164 26 G CA 1.806 46.728 45.100 -0.298 0.000 0.768 26 G HN 0.453 nan 8.290 nan 0.000 0.560 27 T N 0.636 114.965 114.554 -0.374 0.000 2.821 27 T HA 0.119 4.468 4.350 -0.001 0.000 0.267 27 T C 2.656 176.895 174.700 -0.769 0.000 1.046 27 T CA 1.995 63.813 62.100 -0.470 0.000 1.139 27 T CB -0.429 68.214 68.868 -0.375 0.000 0.871 27 T HN 0.332 nan 8.240 nan 0.000 0.454 28 A N 0.957 123.304 122.820 -0.788 0.000 1.898 28 A HA 0.297 4.617 4.320 -0.001 0.000 0.216 28 A C 2.738 179.998 177.584 -0.541 0.000 1.181 28 A CA 1.886 53.520 52.037 -0.671 0.000 0.620 28 A CB -1.279 17.398 19.000 -0.539 0.000 0.819 28 A HN 0.671 nan 8.150 nan 0.000 0.442 29 A N -0.974 121.365 122.820 -0.803 0.000 1.902 29 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 29 A C 2.466 179.955 177.584 -0.158 0.000 1.181 29 A CA 2.097 53.917 52.037 -0.361 0.000 0.623 29 A CB -0.956 17.823 19.000 -0.368 0.000 0.818 29 A HN 0.475 nan 8.150 nan 0.000 0.443 30 S N -0.814 114.745 115.700 -0.235 0.000 2.348 30 S HA -0.227 4.242 4.470 -0.001 0.000 0.221 30 S C 2.070 176.602 174.600 -0.114 0.000 1.033 30 S CA 1.703 59.809 58.200 -0.157 0.000 1.010 30 S CB -0.365 62.725 63.200 -0.183 0.000 0.891 30 S HN 0.705 nan 8.310 nan 0.000 0.442 31 E N 0.357 120.460 120.200 -0.161 0.000 2.086 31 E HA -0.189 4.160 4.350 -0.001 0.000 0.200 31 E C 1.748 178.359 176.600 0.018 0.000 1.012 31 E CA 1.488 57.863 56.400 -0.042 0.000 0.812 31 E CB -0.237 29.481 29.700 0.030 0.000 0.743 31 E HN 0.551 nan 8.360 nan 0.000 0.453 32 L N -0.315 120.932 121.223 0.039 0.000 2.554 32 L HA 0.159 4.498 4.340 -0.001 0.000 0.226 32 L C 1.159 178.064 176.870 0.058 0.000 1.137 32 L CA 0.315 55.204 54.840 0.082 0.000 0.863 32 L CB -0.191 41.963 42.059 0.159 0.000 0.985 32 L HN 0.283 nan 8.230 nan 0.000 0.451 33 A N 1.165 124.002 122.820 0.028 0.000 3.009 33 A HA -0.183 4.136 4.320 -0.001 0.000 0.264 33 A C 0.271 177.875 177.584 0.034 0.000 1.408 33 A CA 1.077 53.125 52.037 0.019 0.000 0.789 33 A CB -2.461 16.550 19.000 0.019 0.000 1.040 33 A HN 0.566 nan 8.150 nan 0.000 0.576 34 I N -3.029 117.572 120.570 0.053 0.000 3.002 34 I HA 0.863 5.032 4.170 -0.001 0.000 0.310 34 I C 0.517 176.669 176.117 0.057 0.000 1.087 34 I CA -0.487 60.853 61.300 0.067 0.000 1.017 34 I CB 2.088 40.152 38.000 0.106 0.000 1.226 34 I HN 0.659 nan 8.210 nan 0.000 0.443 35 S N 2.137 117.872 115.700 0.058 0.000 2.596 35 S HA 0.424 4.893 4.470 -0.001 0.000 0.260 35 S C 1.078 175.723 174.600 0.074 0.000 1.336 35 S CA -0.041 58.186 58.200 0.046 0.000 0.993 35 S CB 1.396 64.625 63.200 0.047 0.000 0.923 35 S HN 0.968 nan 8.310 nan 0.000 0.567 36 A N 0.940 123.783 122.820 0.038 0.000 1.968 36 A HA 0.039 4.358 4.320 -0.001 0.000 0.217 36 A C 2.395 180.036 177.584 0.095 0.000 1.169 36 A CA 1.484 53.539 52.037 0.031 0.000 0.638 36 A CB -1.412 17.572 19.000 -0.027 0.000 0.812 36 A HN 0.869 nan 8.150 nan 0.000 0.446 37 S N -0.086 115.668 115.700 0.090 0.000 2.351 37 S HA -0.123 4.346 4.470 -0.001 0.000 0.220 37 S C 2.275 177.014 174.600 0.232 0.000 1.035 37 S CA 1.830 60.112 58.200 0.136 0.000 1.031 37 S CB -0.594 62.694 63.200 0.147 0.000 0.928 37 S HN 0.885 nan 8.310 nan 0.000 0.433 38 A N 0.559 123.495 122.820 0.193 0.000 1.903 38 A HA -0.158 4.161 4.320 -0.001 0.000 0.219 38 A C 2.055 179.735 177.584 0.160 0.000 1.191 38 A CA 2.109 54.250 52.037 0.172 0.000 0.638 38 A CB -1.265 17.804 19.000 0.115 0.000 0.823 38 A HN 0.690 nan 8.150 nan 0.000 0.451 39 F N 0.351 120.317 119.950 0.027 0.000 2.102 39 F HA -0.127 4.398 4.527 -0.002 0.000 0.298 39 F C 2.839 178.628 175.800 -0.018 0.000 1.105 39 F CA 1.881 59.880 58.000 -0.002 0.000 1.239 39 F CB -0.316 38.663 39.000 -0.036 0.000 0.991 39 F HN 0.243 nan 8.300 nan 0.000 0.474 40 S N -0.733 115.067 115.700 0.167 0.000 2.370 40 S HA -0.243 4.227 4.470 -0.001 0.000 0.226 40 S C 2.148 176.657 174.600 -0.153 0.000 1.033 40 S CA 1.508 59.705 58.200 -0.005 0.000 1.011 40 S CB -0.654 62.477 63.200 -0.115 0.000 0.852 40 S HN 0.514 nan 8.310 nan 0.000 0.457 41 H N 0.711 119.787 119.070 0.011 0.000 2.421 41 H HA 0.037 4.592 4.556 -0.002 0.000 0.298 41 H C 2.407 177.705 175.328 -0.049 0.000 1.087 41 H CA 1.345 57.386 56.048 -0.011 0.000 1.330 41 H CB -0.627 29.133 29.762 -0.002 0.000 1.388 41 H HN 0.544 nan 8.280 nan 0.000 0.526 42 A N 1.013 123.819 122.820 -0.024 0.000 1.929 42 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 42 A C 2.487 179.991 177.584 -0.133 0.000 1.176 42 A CA 0.797 52.771 52.037 -0.105 0.000 0.628 42 A CB -0.595 18.279 19.000 -0.210 0.000 0.816 42 A HN 0.258 nan 8.150 nan 0.000 0.444 43 L N 0.386 121.491 121.223 -0.196 0.000 2.012 43 L HA -0.075 4.265 4.340 -0.001 0.000 0.210 43 L C 2.396 179.265 176.870 -0.002 0.000 1.073 43 L CA 2.462 57.241 54.840 -0.103 0.000 0.748 43 L CB -1.193 40.827 42.059 -0.065 0.000 0.891 43 L HN 0.303 nan 8.230 nan 0.000 0.431 44 G N -0.981 107.816 108.800 -0.006 0.000 2.442 44 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.219 44 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.219 44 G C 1.742 176.662 174.900 0.032 0.000 1.141 44 G CA 0.810 45.923 45.100 0.022 0.000 0.763 44 G HN 0.414 nan 8.290 nan 0.000 0.554 45 R N -0.697 119.818 120.500 0.026 0.000 2.081 45 R HA -0.007 4.332 4.340 -0.001 0.000 0.235 45 R C 2.464 178.776 176.300 0.020 0.000 1.131 45 R CA 1.185 57.298 56.100 0.021 0.000 0.960 45 R CB -0.517 29.790 30.300 0.012 0.000 0.856 45 R HN 0.376 nan 8.270 nan 0.000 0.436 46 L N 1.181 122.419 121.223 0.025 0.000 2.056 46 L HA -0.102 4.238 4.340 -0.001 0.000 0.207 46 L C 2.157 179.064 176.870 0.063 0.000 1.078 46 L CA 1.600 56.468 54.840 0.046 0.000 0.749 46 L CB -0.248 41.861 42.059 0.084 0.000 0.901 46 L HN -0.028 nan 8.230 nan 0.000 0.433 47 R N -0.957 119.587 120.500 0.074 0.000 2.105 47 R HA -0.174 4.166 4.340 -0.001 0.000 0.239 47 R C 2.189 178.515 176.300 0.043 0.000 1.135 47 R CA 1.505 57.649 56.100 0.072 0.000 0.967 47 R CB -0.297 30.047 30.300 0.073 0.000 0.861 47 R HN 0.483 nan 8.270 nan 0.000 0.442 48 Q N -0.767 119.053 119.800 0.033 0.000 2.083 48 Q HA -0.030 4.309 4.340 -0.001 0.000 0.198 48 Q C 2.219 178.226 176.000 0.012 0.000 0.969 48 Q CA 1.627 57.443 55.803 0.021 0.000 0.838 48 Q CB -0.396 28.354 28.738 0.020 0.000 0.900 48 Q HN 0.471 nan 8.270 nan 0.000 0.436 49 G N 0.344 109.151 108.800 0.010 0.000 2.443 49 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.219 49 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.219 49 G C 1.282 176.175 174.900 -0.010 0.000 1.131 49 G CA 0.327 45.426 45.100 -0.002 0.000 0.775 49 G HN 0.275 nan 8.290 nan 0.000 0.547 50 L N -0.381 120.840 121.223 -0.003 0.000 2.766 50 L HA 0.234 4.574 4.340 -0.001 0.000 0.242 50 L C 0.577 177.445 176.870 -0.004 0.000 1.136 50 L CA 0.009 54.840 54.840 -0.014 0.000 0.933 50 L CB 0.254 42.299 42.059 -0.023 0.000 1.241 50 L HN 0.124 nan 8.230 nan 0.000 0.522 51 D N 1.883 122.286 120.400 0.006 0.000 2.697 51 D HA -0.247 4.392 4.640 -0.001 0.000 0.235 51 D C -0.395 175.911 176.300 0.010 0.000 1.167 51 D CA 0.936 54.940 54.000 0.007 0.000 0.656 51 D CB -0.664 40.135 40.800 -0.001 0.000 1.025 51 D HN 0.538 nan 8.370 nan 0.000 0.419 52 D N -1.363 119.051 120.400 0.023 0.000 2.717 52 D HA 0.226 4.865 4.640 -0.001 0.000 0.223 52 D C 0.782 177.111 176.300 0.048 0.000 1.240 52 D CA -0.603 53.412 54.000 0.026 0.000 0.801 52 D CB 1.051 41.861 40.800 0.018 0.000 1.556 52 D HN -0.160 nan 8.370 nan 0.000 0.462 53 E N 2.076 122.303 120.200 0.045 0.000 2.153 53 E HA -0.064 4.286 4.350 -0.001 0.000 0.194 53 E C 1.485 178.144 176.600 0.099 0.000 0.988 53 E CA 0.987 57.427 56.400 0.067 0.000 0.811 53 E CB -0.018 29.715 29.700 0.054 0.000 0.746 53 E HN 0.633 nan 8.360 nan 0.000 0.466 54 L N -2.980 118.270 121.223 0.046 0.000 3.159 54 L HA -0.314 4.026 4.340 -0.001 0.000 0.370 54 L C 0.030 176.694 176.870 -0.345 0.000 1.458 54 L CA 1.673 56.488 54.840 -0.042 0.000 3.093 54 L CB -1.051 41.112 42.059 0.173 0.000 1.152 54 L HN 0.063 nan 8.230 nan 0.000 0.779 55 F N 0.189 120.188 119.950 0.082 0.000 2.557 55 F HA 0.583 5.111 4.527 0.001 0.000 0.316 55 F C -0.246 175.577 175.800 0.037 0.000 1.141 55 F CA -0.728 57.301 58.000 0.048 0.000 0.922 55 F CB 1.650 40.669 39.000 0.032 0.000 1.194 55 F HN -0.284 nan 8.300 nan 0.000 0.443 56 L N 3.606 124.935 121.223 0.177 0.000 2.276 56 L HA 0.425 4.765 4.340 -0.001 0.000 0.286 56 L C 0.215 177.146 176.870 0.102 0.000 1.061 56 L CA -0.455 54.450 54.840 0.108 0.000 0.807 56 L CB 1.113 43.211 42.059 0.065 0.000 1.177 56 L HN 0.578 nan 8.230 nan 0.000 0.429 57 R N 3.089 123.633 120.500 0.075 0.000 2.221 57 R HA 0.277 4.616 4.340 -0.001 0.000 0.327 57 R C -0.409 175.908 176.300 0.029 0.000 1.033 57 R CA -0.288 55.841 56.100 0.048 0.000 0.887 57 R CB 0.539 30.860 30.300 0.036 0.000 1.057 57 R HN 0.699 nan 8.270 nan 0.000 0.455 58 Q N 4.301 124.113 119.800 0.019 0.000 2.523 58 Q HA 0.274 4.614 4.340 -0.001 0.000 0.251 58 Q C 0.096 176.097 176.000 0.000 0.000 1.033 58 Q CA 0.270 56.079 55.803 0.010 0.000 0.746 58 Q CB 1.204 29.948 28.738 0.010 0.000 1.189 58 Q HN 1.011 nan 8.270 nan 0.000 0.508 59 G N 4.249 113.048 108.800 -0.002 0.000 2.720 59 G HA2 -0.416 3.544 3.960 -0.001 0.000 0.293 59 G HA3 -0.416 3.544 3.960 -0.001 0.000 0.293 59 G C 0.312 175.204 174.900 -0.014 0.000 1.256 59 G CA 0.556 45.651 45.100 -0.008 0.000 0.974 59 G HN 0.787 nan 8.290 nan 0.000 0.551 60 N N 0.925 119.611 118.700 -0.022 0.000 2.177 60 N HA 0.201 4.940 4.740 -0.001 0.000 0.218 60 N C 0.637 176.124 175.510 -0.039 0.000 1.182 60 N CA 0.164 53.193 53.050 -0.035 0.000 0.882 60 N CB 0.190 38.649 38.487 -0.047 0.000 1.052 60 N HN 0.773 nan 8.380 nan 0.000 0.519 61 R N 0.241 120.726 120.500 -0.025 0.000 2.539 61 R HA 0.326 4.665 4.340 -0.001 0.000 0.275 61 R C -0.301 175.997 176.300 -0.003 0.000 1.077 61 R CA -0.065 56.023 56.100 -0.021 0.000 1.097 61 R CB 0.650 30.942 30.300 -0.012 0.000 1.018 61 R HN 0.099 nan 8.270 nan 0.000 0.483 62 M N 2.690 122.292 119.600 0.002 0.000 2.067 62 M HA 0.222 4.702 4.480 -0.001 0.000 0.286 62 M C -0.876 175.517 176.300 0.154 0.000 0.922 62 M CA -0.625 54.711 55.300 0.060 0.000 0.937 62 M CB 1.765 34.328 32.600 -0.062 0.000 1.550 62 M HN 0.356 nan 8.290 nan 0.000 0.433 63 Q N 3.979 123.885 119.800 0.176 0.000 2.307 63 Q HA 0.519 4.858 4.340 -0.001 0.000 0.262 63 Q C -2.337 173.733 176.000 0.118 0.000 0.961 63 Q CA -1.673 54.208 55.803 0.129 0.000 0.882 63 Q CB 2.129 30.900 28.738 0.055 0.000 1.264 63 Q HN 0.288 nan 8.270 nan 0.000 0.446 64 P HA -0.024 nan 4.420 nan 0.000 0.268 64 P C -0.029 177.206 177.300 -0.108 0.000 1.205 64 P CA 0.128 63.070 63.100 -0.264 0.000 0.771 64 P CB 0.390 32.013 31.700 -0.130 0.000 0.858 65 T N -0.672 113.800 114.554 -0.136 0.000 2.701 65 T HA 0.017 4.367 4.350 -0.001 0.000 0.303 65 T C 1.289 175.996 174.700 0.013 0.000 1.030 65 T CA -0.137 61.940 62.100 -0.038 0.000 1.010 65 T CB 0.264 69.112 68.868 -0.033 0.000 1.007 65 T HN 0.407 nan 8.240 nan 0.000 0.532 66 Q N -0.146 119.676 119.800 0.037 0.000 2.061 66 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 66 Q C 2.659 178.728 176.000 0.115 0.000 0.984 66 Q CA 1.481 57.337 55.803 0.089 0.000 0.846 66 Q CB -0.060 28.695 28.738 0.029 0.000 0.902 66 Q HN 0.600 nan 8.270 nan 0.000 0.421 67 R N -0.406 120.116 120.500 0.036 0.000 2.081 67 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 67 R C 2.287 178.636 176.300 0.081 0.000 1.131 67 R CA 1.052 57.171 56.100 0.031 0.000 0.960 67 R CB -0.451 29.843 30.300 -0.009 0.000 0.856 67 R HN 0.255 nan 8.270 nan 0.000 0.436 68 A N 1.346 124.214 122.820 0.080 0.000 1.892 68 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 68 A C 2.042 179.763 177.584 0.227 0.000 1.188 68 A CA 1.782 53.933 52.037 0.190 0.000 0.631 68 A CB -0.493 18.478 19.000 -0.049 0.000 0.822 68 A HN 0.334 nan 8.150 nan 0.000 0.447 69 E N -0.907 119.406 120.200 0.190 0.000 2.023 69 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 69 E C 1.971 178.585 176.600 0.024 0.000 1.003 69 E CA 1.590 58.102 56.400 0.186 0.000 0.809 69 E CB -0.274 29.541 29.700 0.192 0.000 0.755 69 E HN 0.769 nan 8.360 nan 0.000 0.449 70 H N -0.792 118.288 119.070 0.017 0.000 2.422 70 H HA -0.136 4.420 4.556 -0.001 0.000 0.298 70 H C 2.101 177.398 175.328 -0.052 0.000 1.098 70 H CA 1.169 57.208 56.048 -0.015 0.000 1.315 70 H CB 0.089 29.843 29.762 -0.013 0.000 1.382 70 H HN 0.175 nan 8.280 nan 0.000 0.523 71 L N 0.693 121.931 121.223 0.025 0.000 2.341 71 L HA 0.089 4.429 4.340 -0.001 0.000 0.214 71 L C 2.518 179.311 176.870 -0.127 0.000 1.115 71 L CA 1.011 55.792 54.840 -0.098 0.000 0.820 71 L CB -0.407 41.506 42.059 -0.243 0.000 0.944 71 L HN 0.093 nan 8.230 nan 0.000 0.452 72 A N -0.270 122.474 122.820 -0.127 0.000 1.908 72 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 72 A C 2.455 179.946 177.584 -0.154 0.000 1.181 72 A CA 1.745 53.650 52.037 -0.220 0.000 0.627 72 A CB -1.013 17.277 19.000 -1.183 0.000 0.818 72 A HN 0.509 nan 8.150 nan 0.000 0.445 73 A N -0.135 122.604 122.820 -0.135 0.000 1.877 73 A HA 0.165 4.484 4.320 -0.001 0.000 0.216 73 A C 2.535 180.090 177.584 -0.048 0.000 1.186 73 A CA 2.127 54.121 52.037 -0.071 0.000 0.620 73 A CB -1.120 17.845 19.000 -0.059 0.000 0.822 73 A HN 1.099 nan 8.150 nan 0.000 0.443 74 A N -0.394 122.389 122.820 -0.061 0.000 1.873 74 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 74 A C 2.247 179.798 177.584 -0.054 0.000 1.193 74 A CA 2.151 54.153 52.037 -0.057 0.000 0.629 74 A CB -1.158 17.798 19.000 -0.073 0.000 0.826 74 A HN 0.481 nan 8.150 nan 0.000 0.447 75 V N -0.252 119.621 119.914 -0.068 0.000 2.343 75 V HA -0.245 3.874 4.120 -0.001 0.000 0.247 75 V C 3.036 179.141 176.094 0.019 0.000 1.051 75 V CA 2.025 64.306 62.300 -0.032 0.000 1.036 75 V CB -1.336 30.480 31.823 -0.012 0.000 0.654 75 V HN 0.646 nan 8.190 nan 0.000 0.451 76 A N -0.024 122.810 122.820 0.024 0.000 1.898 76 A HA -0.070 4.250 4.320 -0.001 0.000 0.216 76 A C 2.432 180.029 177.584 0.022 0.000 1.181 76 A CA 2.035 54.094 52.037 0.037 0.000 0.620 76 A CB -0.783 18.236 19.000 0.033 0.000 0.819 76 A HN 0.556 nan 8.150 nan 0.000 0.442 77 A N -0.031 122.793 122.820 0.006 0.000 1.877 77 A HA 0.157 4.477 4.320 -0.001 0.000 0.216 77 A C 2.545 180.130 177.584 0.002 0.000 1.186 77 A CA 2.206 54.245 52.037 0.003 0.000 0.620 77 A CB -1.173 17.824 19.000 -0.005 0.000 0.822 77 A HN 1.090 nan 8.150 nan 0.000 0.443 78 A N -0.185 122.632 122.820 -0.005 0.000 1.892 78 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 78 A C 2.184 179.770 177.584 0.002 0.000 1.188 78 A CA 1.731 53.764 52.037 -0.007 0.000 0.631 78 A CB -0.740 18.248 19.000 -0.020 0.000 0.822 78 A HN 0.490 nan 8.150 nan 0.000 0.447 79 L N -1.253 119.978 121.223 0.013 0.000 2.141 79 L HA -0.151 4.189 4.340 -0.001 0.000 0.209 79 L C 2.776 179.660 176.870 0.023 0.000 1.094 79 L CA 1.533 56.386 54.840 0.022 0.000 0.763 79 L CB -0.447 41.637 42.059 0.042 0.000 0.908 79 L HN 0.486 nan 8.230 nan 0.000 0.437 80 R N 0.511 121.025 120.500 0.023 0.000 2.066 80 R HA -0.171 4.169 4.340 -0.001 0.000 0.232 80 R C 2.373 178.686 176.300 0.021 0.000 1.131 80 R CA 1.467 57.581 56.100 0.024 0.000 0.955 80 R CB -0.251 30.063 30.300 0.022 0.000 0.851 80 R HN 0.306 nan 8.270 nan 0.000 0.432 81 A N 1.493 124.323 122.820 0.016 0.000 1.883 81 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 81 A C 2.268 179.861 177.584 0.016 0.000 1.186 81 A CA 1.375 53.421 52.037 0.015 0.000 0.624 81 A CB -0.665 18.340 19.000 0.008 0.000 0.822 81 A HN 0.353 nan 8.150 nan 0.000 0.444 82 L N -0.838 120.389 121.223 0.008 0.000 1.989 82 L HA -0.191 4.149 4.340 -0.001 0.000 0.211 82 L C 2.900 179.778 176.870 0.013 0.000 1.071 82 L CA 1.490 56.330 54.840 -0.000 0.000 0.749 82 L CB -1.166 40.886 42.059 -0.011 0.000 0.890 82 L HN 0.517 nan 8.230 nan 0.000 0.431 83 G N -0.606 108.207 108.800 0.021 0.000 2.440 83 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 83 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 83 G C 1.428 176.358 174.900 0.049 0.000 1.154 83 G CA 0.673 45.793 45.100 0.034 0.000 0.767 83 G HN 0.419 nan 8.290 nan 0.000 0.552 84 E N -0.025 120.201 120.200 0.045 0.000 2.077 84 E HA -0.054 4.295 4.350 -0.001 0.000 0.193 84 E C 2.759 179.404 176.600 0.075 0.000 0.989 84 E CA 0.662 57.093 56.400 0.051 0.000 0.800 84 E CB -0.305 29.418 29.700 0.039 0.000 0.746 84 E HN 0.400 nan 8.360 nan 0.000 0.452 85 G N 0.655 109.502 108.800 0.078 0.000 2.443 85 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.219 85 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.219 85 G C 1.389 176.427 174.900 0.230 0.000 1.131 85 G CA 0.324 45.497 45.100 0.121 0.000 0.775 85 G HN 0.105 nan 8.290 nan 0.000 0.547 86 L N 0.182 121.512 121.223 0.178 0.000 2.592 86 L HA 0.207 4.546 4.340 -0.001 0.000 0.227 86 L C 2.303 179.369 176.870 0.328 0.000 1.127 86 L CA -0.087 54.916 54.840 0.271 0.000 0.884 86 L CB 0.129 42.220 42.059 0.054 0.000 1.065 86 L HN 0.037 nan 8.230 nan 0.000 0.457 87 E N 0.755 121.076 120.200 0.202 0.000 2.110 87 E HA -0.270 4.080 4.350 -0.001 0.000 0.193 87 E C 1.770 178.440 176.600 0.117 0.000 0.988 87 E CA 0.976 57.455 56.400 0.132 0.000 0.804 87 E CB 0.079 29.823 29.700 0.073 0.000 0.745 87 E HN 0.495 nan 8.360 nan 0.000 0.458 88 E N -0.672 119.582 120.200 0.089 0.000 2.333 88 E HA -0.184 4.166 4.350 -0.001 0.000 0.200 88 E C 1.380 177.846 176.600 -0.223 0.000 1.010 88 E CA 0.620 56.947 56.400 -0.122 0.000 0.841 88 E CB 0.025 29.552 29.700 -0.288 0.000 0.757 88 E HN 0.400 nan 8.360 nan 0.000 0.508 89 W N 0.868 122.162 121.300 -0.009 0.000 2.942 89 W HA 0.054 4.712 4.660 -0.003 0.000 0.263 89 W C 0.925 177.450 176.519 0.010 0.000 1.296 89 W CA -0.308 57.036 57.345 -0.001 0.000 1.504 89 W CB 0.024 29.482 29.460 -0.003 0.000 1.096 89 W HN -0.056 nan 8.180 nan 0.000 0.639 90 R N 2.844 123.460 120.500 0.193 0.000 2.473 90 R HA 0.024 4.364 4.340 -0.001 0.000 0.315 90 R C -2.308 174.049 176.300 0.095 0.000 0.972 90 R CA -0.694 55.479 56.100 0.122 0.000 1.047 90 R CB -0.055 30.299 30.300 0.089 0.000 0.932 90 R HN -0.266 nan 8.270 nan 0.000 0.411 91 P HA -0.138 nan 4.420 nan 0.000 0.260 91 P C -1.005 176.342 177.300 0.078 0.000 1.172 91 P CA 0.232 63.378 63.100 0.077 0.000 0.760 91 P CB 0.158 31.887 31.700 0.048 0.000 0.773 92 F N 5.825 125.757 119.950 -0.031 0.000 2.471 92 F HA 0.275 4.804 4.527 0.003 0.000 0.365 92 F C 0.058 175.798 175.800 -0.100 0.000 1.095 92 F CA -0.361 57.600 58.000 -0.066 0.000 1.174 92 F CB 0.300 39.274 39.000 -0.043 0.000 1.105 92 F HN 0.105 nan 8.300 nan 0.000 0.535 93 V N 7.000 126.469 119.914 -0.741 0.000 2.407 93 V HA 0.447 4.566 4.120 -0.001 0.000 0.291 93 V C -2.145 173.320 176.094 -1.049 0.000 1.018 93 V CA -2.091 59.769 62.300 -0.735 0.000 0.842 93 V CB 1.430 33.057 31.823 -0.327 0.000 0.996 93 V HN 0.547 nan 8.190 nan 0.000 0.426 94 P HA -0.187 nan 4.420 nan 0.000 0.221 94 P C 1.629 178.625 177.300 -0.508 0.000 1.160 94 P CA 2.734 65.217 63.100 -1.028 0.000 0.933 94 P CB -0.016 31.332 31.700 -0.587 0.000 0.793 95 G N -1.914 106.702 108.800 -0.308 0.000 2.534 95 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.217 95 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.217 95 G C 1.559 176.370 174.900 -0.149 0.000 1.128 95 G CA 0.512 45.521 45.100 -0.152 0.000 0.784 95 G HN 0.282 nan 8.290 nan 0.000 0.542 96 Q N -0.406 119.262 119.800 -0.221 0.000 2.353 96 Q HA 0.302 4.641 4.340 -0.001 0.000 0.240 96 Q C 1.319 177.227 176.000 -0.154 0.000 0.868 96 Q CA -0.184 55.525 55.803 -0.157 0.000 0.944 96 Q CB 0.546 29.200 28.738 -0.139 0.000 1.104 96 Q HN 0.263 nan 8.270 nan 0.000 0.531 97 S N 0.617 116.165 115.700 -0.254 0.000 2.552 97 S HA -0.036 4.433 4.470 -0.001 0.000 0.289 97 S C 0.454 175.049 174.600 -0.008 0.000 1.304 97 S CA 0.121 58.233 58.200 -0.146 0.000 1.063 97 S CB 0.370 63.455 63.200 -0.193 0.000 0.848 97 S HN 0.195 nan 8.310 nan 0.000 0.499 98 Q N 2.532 122.349 119.800 0.029 0.000 2.188 98 Q HA 0.103 4.442 4.340 -0.001 0.000 0.212 98 Q C 0.370 176.417 176.000 0.078 0.000 0.846 98 Q CA -0.057 55.777 55.803 0.052 0.000 0.989 98 Q CB 0.173 28.930 28.738 0.033 0.000 1.114 98 Q HN 0.771 nan 8.270 nan 0.000 0.488 99 R N -0.273 120.293 120.500 0.111 0.000 2.679 99 R HA 0.405 4.745 4.340 -0.001 0.000 0.269 99 R C -0.501 175.852 176.300 0.088 0.000 1.076 99 R CA -0.025 56.109 56.100 0.057 0.000 1.160 99 R CB 0.324 30.605 30.300 -0.033 0.000 1.054 99 R HN -0.306 nan 8.270 nan 0.000 0.507 100 T N 2.557 117.110 114.554 -0.001 0.000 2.799 100 T HA 0.356 4.705 4.350 -0.001 0.000 0.286 100 T C -0.827 173.842 174.700 -0.052 0.000 0.973 100 T CA -0.290 61.856 62.100 0.076 0.000 1.035 100 T CB 0.369 69.280 68.868 0.071 0.000 0.932 100 T HN 0.322 nan 8.240 nan 0.000 0.469 101 F N 2.083 122.146 119.950 0.189 0.000 2.404 101 F HA 0.447 4.972 4.527 -0.002 0.000 0.354 101 F C 0.190 176.139 175.800 0.248 0.000 1.122 101 F CA -1.024 57.094 58.000 0.197 0.000 1.080 101 F CB 1.048 40.242 39.000 0.324 0.000 1.131 101 F HN 0.186 nan 8.300 nan 0.000 0.471 102 V N 5.054 125.112 119.914 0.240 0.000 2.383 102 V HA 0.304 4.424 4.120 -0.001 0.000 0.275 102 V C -0.426 175.778 176.094 0.183 0.000 1.036 102 V CA -0.704 61.729 62.300 0.221 0.000 0.889 102 V CB 0.526 32.412 31.823 0.105 0.000 0.985 102 V HN 0.492 nan 8.190 nan 0.000 0.459 103 F N 2.729 122.792 119.950 0.188 0.000 2.482 103 F HA 0.708 5.234 4.527 -0.002 0.000 0.331 103 F C 0.620 176.525 175.800 0.176 0.000 1.115 103 F CA -0.685 57.438 58.000 0.206 0.000 0.955 103 F CB 1.700 40.795 39.000 0.159 0.000 1.136 103 F HN 0.547 nan 8.300 nan 0.000 0.452 104 A N 2.788 125.811 122.820 0.338 0.000 2.409 104 A HA 0.792 5.111 4.320 -0.001 0.000 0.262 104 A C -0.280 177.524 177.584 0.367 0.000 1.113 104 A CA 0.283 52.502 52.037 0.303 0.000 0.790 104 A CB 0.095 19.244 19.000 0.249 0.000 1.046 104 A HN 1.003 nan 8.150 nan 0.000 0.496 105 A N 1.647 124.661 122.820 0.322 0.000 2.568 105 A HA 0.917 5.237 4.320 -0.001 0.000 0.291 105 A C -0.014 177.696 177.584 0.209 0.000 1.159 105 A CA 0.104 52.320 52.037 0.298 0.000 0.679 105 A CB 0.655 19.786 19.000 0.218 0.000 1.285 105 A HN 1.759 nan 8.150 nan 0.000 0.428 106 T N -2.466 112.169 114.554 0.135 0.000 2.883 106 T HA 0.522 4.872 4.350 -0.001 0.000 0.284 106 T C 0.551 175.284 174.700 0.054 0.000 1.041 106 T CA 0.329 62.422 62.100 -0.011 0.000 1.007 106 T CB 1.271 70.066 68.868 -0.123 0.000 1.220 106 T HN 0.774 nan 8.240 nan 0.000 0.552 107 D N -0.372 120.050 120.400 0.037 0.000 2.144 107 D HA -0.208 4.431 4.640 -0.001 0.000 0.199 107 D C 1.579 177.983 176.300 0.174 0.000 0.984 107 D CA 1.320 55.373 54.000 0.089 0.000 0.834 107 D CB -0.601 40.238 40.800 0.064 0.000 0.955 107 D HN 0.562 nan 8.370 nan 0.000 0.465 108 Y N 2.462 122.807 120.300 0.075 0.000 2.145 108 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 108 Y C 2.553 178.630 175.900 0.297 0.000 1.145 108 Y CA 2.821 61.016 58.100 0.158 0.000 1.148 108 Y CB -0.791 37.722 38.460 0.088 0.000 0.981 108 Y HN 0.160 nan 8.280 nan 0.000 0.507 109 T N -1.603 112.948 114.554 -0.006 0.000 2.904 109 T HA -0.006 4.343 4.350 -0.001 0.000 0.267 109 T C 2.131 176.854 174.700 0.038 0.000 1.059 109 T CA 0.904 63.023 62.100 0.033 0.000 1.137 109 T CB -0.941 68.099 68.868 0.287 0.000 0.879 109 T HN 0.341 nan 8.240 nan 0.000 0.467 110 A N 1.558 124.404 122.820 0.043 0.000 1.877 110 A HA 0.046 4.365 4.320 -0.001 0.000 0.216 110 A C 2.025 179.607 177.584 -0.003 0.000 1.186 110 A CA 1.569 53.604 52.037 -0.003 0.000 0.620 110 A CB -1.210 17.812 19.000 0.036 0.000 0.822 110 A HN 0.537 nan 8.150 nan 0.000 0.443 111 F N 1.048 120.945 119.950 -0.089 0.000 2.161 111 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 111 F C 2.357 178.080 175.800 -0.128 0.000 1.089 111 F CA 1.288 59.233 58.000 -0.090 0.000 1.282 111 F CB -0.369 38.608 39.000 -0.038 0.000 1.010 111 F HN 0.237 nan 8.300 nan 0.000 0.485 112 A N 0.043 122.676 122.820 -0.312 0.000 1.898 112 A HA -0.022 4.298 4.320 -0.001 0.000 0.214 112 A C 2.034 179.488 177.584 -0.216 0.000 1.183 112 A CA 1.500 53.333 52.037 -0.341 0.000 0.622 112 A CB -1.051 17.803 19.000 -0.243 0.000 0.824 112 A HN 0.466 nan 8.150 nan 0.000 0.444 113 L N -0.317 120.807 121.223 -0.165 0.000 2.071 113 L HA 0.107 4.446 4.340 -0.001 0.000 0.201 113 L C 2.309 178.946 176.870 -0.388 0.000 1.076 113 L CA 1.370 55.975 54.840 -0.392 0.000 0.755 113 L CB -0.609 41.082 42.059 -0.613 0.000 0.915 113 L HN 0.367 nan 8.230 nan 0.000 0.445 114 L N -0.215 120.810 121.223 -0.330 0.000 2.012 114 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 114 L C -0.087 176.637 176.870 -0.242 0.000 1.073 114 L CA 1.587 56.255 54.840 -0.286 0.000 0.748 114 L CB -2.055 39.879 42.059 -0.208 0.000 0.891 114 L HN 0.251 nan 8.230 nan 0.000 0.431 115 P HA -0.146 nan 4.420 nan 0.000 0.213 115 P C -1.367 175.824 177.300 -0.182 0.000 1.170 115 P CA 1.740 64.721 63.100 -0.197 0.000 0.902 115 P CB -1.150 30.407 31.700 -0.237 0.000 0.789 116 P HA -0.103 nan 4.420 nan 0.000 0.217 116 P C 1.792 178.980 177.300 -0.187 0.000 1.154 116 P CA 1.019 64.017 63.100 -0.170 0.000 0.841 116 P CB -0.384 31.216 31.700 -0.168 0.000 0.788 117 L N -0.641 120.430 121.223 -0.253 0.000 2.013 117 L HA -0.140 4.200 4.340 -0.001 0.000 0.212 117 L C 2.320 179.066 176.870 -0.206 0.000 1.073 117 L CA 2.271 56.944 54.840 -0.278 0.000 0.753 117 L CB -1.167 40.653 42.059 -0.397 0.000 0.890 117 L HN -0.177 nan 8.230 nan 0.000 0.432 118 M N -0.753 118.732 119.600 -0.191 0.000 2.419 118 M HA -0.101 4.379 4.480 -0.001 0.000 0.264 118 M C 2.047 178.267 176.300 -0.134 0.000 1.082 118 M CA 0.964 56.178 55.300 -0.144 0.000 1.119 118 M CB -1.803 30.717 32.600 -0.133 0.000 1.398 118 M HN 0.521 nan 8.290 nan 0.000 0.453 119 N N 1.167 119.793 118.700 -0.123 0.000 2.137 119 N HA -0.218 4.522 4.740 -0.001 0.000 0.190 119 N C 1.913 177.382 175.510 -0.068 0.000 1.017 119 N CA 1.267 54.261 53.050 -0.095 0.000 0.859 119 N CB 0.118 38.567 38.487 -0.063 0.000 1.002 119 N HN 0.437 nan 8.380 nan 0.000 0.428 120 R N 0.577 121.042 120.500 -0.058 0.000 2.074 120 R HA 0.103 4.443 4.340 -0.001 0.000 0.218 120 R C 2.471 178.772 176.300 0.001 0.000 1.137 120 R CA 0.066 56.164 56.100 -0.003 0.000 0.998 120 R CB -0.306 29.975 30.300 -0.032 0.000 0.895 120 R HN 0.188 nan 8.270 nan 0.000 0.442 121 L N 2.120 123.325 121.223 -0.031 0.000 2.261 121 L HA -0.211 4.129 4.340 -0.001 0.000 0.216 121 L C 2.680 179.555 176.870 0.009 0.000 1.114 121 L CA 1.590 56.452 54.840 0.036 0.000 0.777 121 L CB -0.595 41.486 42.059 0.036 0.000 0.910 121 L HN 0.456 nan 8.230 nan 0.000 0.440 122 Q N -1.135 118.600 119.800 -0.110 0.000 2.224 122 Q HA -0.196 4.144 4.340 -0.001 0.000 0.203 122 Q C 1.720 177.611 176.000 -0.182 0.000 0.970 122 Q CA 1.317 57.008 55.803 -0.187 0.000 0.865 122 Q CB -0.158 28.385 28.738 -0.325 0.000 0.922 122 Q HN 0.546 nan 8.270 nan 0.000 0.445 123 H N 0.628 119.715 119.070 0.027 0.000 2.406 123 H HA 0.091 4.646 4.556 -0.002 0.000 0.304 123 H C 2.555 177.906 175.328 0.039 0.000 1.042 123 H CA 1.501 57.563 56.048 0.024 0.000 1.360 123 H CB -0.084 29.687 29.762 0.015 0.000 1.448 123 H HN 0.468 nan 8.280 nan 0.000 0.553 124 S N 0.833 116.639 115.700 0.177 0.000 2.402 124 S HA 0.087 4.556 4.470 -0.001 0.000 0.229 124 S C 1.344 176.031 174.600 0.145 0.000 1.021 124 S CA 0.676 58.971 58.200 0.159 0.000 0.974 124 S CB 0.025 63.337 63.200 0.187 0.000 0.800 124 S HN 0.353 nan 8.310 nan 0.000 0.484 125 A N 1.354 124.260 122.820 0.143 0.000 3.266 125 A HA 0.654 4.974 4.320 -0.001 0.000 0.310 125 A C -2.290 175.340 177.584 0.077 0.000 1.066 125 A CA -1.109 50.987 52.037 0.098 0.000 0.839 125 A CB 0.719 19.832 19.000 0.189 0.000 1.192 125 A HN 0.291 nan 8.150 nan 0.000 0.496 126 P HA -0.016 nan 4.420 nan 0.000 0.231 126 P C 1.316 178.638 177.300 0.036 0.000 1.158 126 P CA 1.777 64.898 63.100 0.035 0.000 0.763 126 P CB 0.352 32.072 31.700 0.033 0.000 0.805 127 G N -1.348 107.476 108.800 0.040 0.000 2.944 127 G HA2 0.093 4.053 3.960 -0.001 0.000 0.220 127 G HA3 0.093 4.053 3.960 -0.001 0.000 0.220 127 G C 0.205 175.159 174.900 0.090 0.000 1.100 127 G CA 0.060 45.188 45.100 0.047 0.000 0.780 127 G HN 0.088 nan 8.290 nan 0.000 0.539 128 V N 1.362 121.359 119.914 0.137 0.000 2.655 128 V HA 0.336 4.455 4.120 -0.001 0.000 0.300 128 V C 0.182 176.413 176.094 0.227 0.000 1.044 128 V CA 0.105 62.559 62.300 0.256 0.000 1.095 128 V CB 0.785 32.832 31.823 0.374 0.000 0.952 128 V HN 0.329 nan 8.190 nan 0.000 0.485 129 R N 4.247 124.903 120.500 0.260 0.000 2.740 129 R HA 0.757 5.096 4.340 -0.001 0.000 0.282 129 R C -1.563 174.898 176.300 0.269 0.000 0.969 129 R CA -0.732 55.487 56.100 0.199 0.000 0.918 129 R CB 1.643 32.027 30.300 0.140 0.000 1.175 129 R HN 0.448 nan 8.270 nan 0.000 0.464 130 L N 1.519 122.862 121.223 0.201 0.000 2.346 130 L HA 0.558 4.897 4.340 -0.001 0.000 0.274 130 L C -0.436 176.545 176.870 0.184 0.000 1.007 130 L CA -0.362 54.623 54.840 0.242 0.000 0.818 130 L CB 1.714 43.841 42.059 0.113 0.000 1.284 130 L HN 0.491 nan 8.230 nan 0.000 0.424 131 R N 3.087 123.730 120.500 0.238 0.000 2.451 131 R HA 0.659 4.998 4.340 -0.001 0.000 0.307 131 R C -1.821 174.608 176.300 0.216 0.000 0.965 131 R CA -0.705 55.501 56.100 0.177 0.000 0.865 131 R CB 1.055 31.442 30.300 0.146 0.000 1.174 131 R HN 0.463 nan 8.270 nan 0.000 0.455 132 L N 4.950 126.267 121.223 0.157 0.000 2.309 132 L HA 0.496 4.836 4.340 -0.001 0.000 0.282 132 L C -0.467 176.490 176.870 0.145 0.000 1.036 132 L CA -0.577 54.367 54.840 0.173 0.000 0.806 132 L CB 1.941 44.061 42.059 0.102 0.000 1.220 132 L HN 0.470 nan 8.230 nan 0.000 0.429 133 V N -0.172 119.842 119.914 0.167 0.000 2.823 133 V HA 0.650 4.769 4.120 -0.001 0.000 0.312 133 V C -0.357 175.827 176.094 0.149 0.000 1.072 133 V CA -1.001 61.382 62.300 0.137 0.000 0.937 133 V CB 1.921 33.820 31.823 0.127 0.000 1.013 133 V HN 0.662 nan 8.190 nan 0.000 0.430 134 N N 2.491 121.263 118.700 0.121 0.000 2.470 134 N HA 0.584 5.324 4.740 -0.001 0.000 0.268 134 N C 0.046 175.656 175.510 0.166 0.000 1.136 134 N CA 0.339 53.468 53.050 0.132 0.000 0.961 134 N CB 1.719 40.255 38.487 0.082 0.000 1.067 134 N HN 1.151 nan 8.380 nan 0.000 0.468 135 A N 1.392 124.361 122.820 0.248 0.000 2.281 135 A HA 0.280 4.599 4.320 -0.001 0.000 0.329 135 A C 1.117 178.867 177.584 0.277 0.000 1.122 135 A CA -0.608 51.564 52.037 0.225 0.000 0.850 135 A CB 0.618 19.746 19.000 0.213 0.000 1.207 135 A HN 0.759 nan 8.150 nan 0.000 0.495 136 E N 0.143 120.447 120.200 0.173 0.000 2.427 136 E HA -0.010 4.339 4.350 -0.001 0.000 0.196 136 E C 0.574 177.268 176.600 0.157 0.000 1.028 136 E CA 0.532 57.037 56.400 0.176 0.000 0.864 136 E CB -0.009 29.749 29.700 0.097 0.000 0.813 136 E HN 0.614 nan 8.360 nan 0.000 0.514 137 R N -0.652 119.848 120.500 -0.000 0.000 2.781 137 R HA 0.294 4.633 4.340 -0.001 0.000 0.269 137 R C 0.231 176.069 176.300 -0.770 0.000 1.025 137 R CA -0.830 55.018 56.100 -0.420 0.000 0.914 137 R CB 0.649 30.772 30.300 -0.295 0.000 1.236 137 R HN -0.115 nan 8.270 nan 0.000 0.465 138 K N 0.042 119.547 120.400 -1.492 0.000 2.057 138 K HA -0.050 4.269 4.320 -0.001 0.000 0.207 138 K C -0.083 176.221 176.600 -0.493 0.000 1.049 138 K CA 1.329 56.940 56.287 -1.127 0.000 0.931 138 K CB 0.020 31.677 32.500 -1.405 0.000 0.714 138 K HN 0.407 nan 8.250 nan 0.000 0.440 139 L N 1.238 122.186 121.223 -0.459 0.000 2.454 139 L HA 0.225 4.565 4.340 -0.001 0.000 0.258 139 L C -1.227 175.530 176.870 -0.187 0.000 1.025 139 L CA -0.089 54.568 54.840 -0.306 0.000 0.901 139 L CB 1.377 43.203 42.059 -0.389 0.000 1.210 139 L HN -0.046 nan 8.230 nan 0.000 0.457 140 S N 2.057 117.690 115.700 -0.111 0.000 2.411 140 S HA 0.292 4.761 4.470 -0.001 0.000 0.294 140 S C 1.382 175.969 174.600 -0.022 0.000 1.115 140 S CA -0.640 57.523 58.200 -0.061 0.000 1.071 140 S CB 0.783 63.961 63.200 -0.037 0.000 0.967 140 S HN 0.381 nan 8.310 nan 0.000 0.488 141 V N 5.879 125.790 119.914 -0.006 0.000 2.407 141 V HA -0.190 3.930 4.120 -0.001 0.000 0.248 141 V C 2.284 178.408 176.094 0.049 0.000 1.055 141 V CA 2.216 64.552 62.300 0.061 0.000 1.049 141 V CB -1.002 30.862 31.823 0.069 0.000 0.662 141 V HN 0.912 nan 8.190 nan 0.000 0.455 142 E N 1.899 122.100 120.200 0.002 0.000 2.031 142 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 142 E C 2.341 178.910 176.600 -0.051 0.000 0.994 142 E CA 1.344 57.725 56.400 -0.032 0.000 0.800 142 E CB -0.610 29.074 29.700 -0.026 0.000 0.752 142 E HN 0.517 nan 8.360 nan 0.000 0.447 143 A N 1.817 124.620 122.820 -0.029 0.000 1.917 143 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 143 A C 2.328 179.886 177.584 -0.044 0.000 1.182 143 A CA 1.558 53.579 52.037 -0.028 0.000 0.633 143 A CB -0.848 18.151 19.000 -0.003 0.000 0.819 143 A HN 0.206 nan 8.150 nan 0.000 0.448 144 L N -1.136 120.072 121.223 -0.025 0.000 2.109 144 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 144 L C 3.065 179.856 176.870 -0.130 0.000 1.086 144 L CA 0.922 55.749 54.840 -0.022 0.000 0.760 144 L CB -0.499 41.605 42.059 0.075 0.000 0.910 144 L HN 0.422 nan 8.230 nan 0.000 0.437 145 A N -0.554 122.102 122.820 -0.273 0.000 1.873 145 A HA -0.187 4.132 4.320 -0.001 0.000 0.215 145 A C 2.507 179.898 177.584 -0.322 0.000 1.186 145 A CA 1.892 53.561 52.037 -0.613 0.000 0.616 145 A CB -0.699 17.919 19.000 -0.637 0.000 0.823 145 A HN 0.334 nan 8.150 nan 0.000 0.442 146 S N -1.382 114.203 115.700 -0.192 0.000 2.389 146 S HA -0.035 4.434 4.470 -0.001 0.000 0.231 146 S C 1.756 176.273 174.600 -0.139 0.000 1.052 146 S CA 2.010 60.131 58.200 -0.132 0.000 1.053 146 S CB -0.657 62.491 63.200 -0.086 0.000 0.886 146 S HN 1.852 nan 8.310 nan 0.000 0.456 147 G N 0.481 109.195 108.800 -0.144 0.000 2.159 147 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.256 147 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.256 147 G C 0.828 175.672 174.900 -0.094 0.000 0.977 147 G CA 0.731 45.751 45.100 -0.134 0.000 0.652 147 G HN 0.483 nan 8.290 nan 0.000 0.531 148 R N 0.313 120.771 120.500 -0.071 0.000 2.091 148 R HA 0.068 4.408 4.340 -0.001 0.000 0.238 148 R C 1.631 177.916 176.300 -0.024 0.000 1.136 148 R CA 1.652 57.728 56.100 -0.040 0.000 0.959 148 R CB -0.147 30.137 30.300 -0.027 0.000 0.856 148 R HN 0.812 nan 8.270 nan 0.000 0.437 149 I N -1.898 118.655 120.570 -0.029 0.000 2.603 149 I HA 0.213 4.383 4.170 -0.001 0.000 0.300 149 I C -0.345 175.717 176.117 -0.092 0.000 1.017 149 I CA -0.623 60.663 61.300 -0.023 0.000 1.098 149 I CB 2.105 40.123 38.000 0.031 0.000 1.279 149 I HN -0.036 nan 8.210 nan 0.000 0.437 150 D N 4.259 124.564 120.400 -0.158 0.000 2.162 150 D HA 0.139 4.779 4.640 -0.001 0.000 0.205 150 D C -0.286 175.548 176.300 -0.778 0.000 0.964 150 D CA 1.738 55.495 54.000 -0.406 0.000 0.847 150 D CB 0.316 40.858 40.800 -0.431 0.000 0.988 150 D HN 0.423 nan 8.370 nan 0.000 0.480 151 F N -0.626 119.138 119.950 -0.310 0.000 2.626 151 F HA 0.542 5.068 4.527 -0.002 0.000 0.311 151 F C -0.448 175.345 175.800 -0.010 0.000 1.088 151 F CA -1.131 56.722 58.000 -0.245 0.000 0.949 151 F CB 1.927 40.544 39.000 -0.639 0.000 1.322 151 F HN -0.278 nan 8.300 nan 0.000 0.461 152 A N 1.797 124.866 122.820 0.415 0.000 2.413 152 A HA 0.960 5.279 4.320 -0.001 0.000 0.307 152 A C -1.684 176.286 177.584 0.643 0.000 1.087 152 A CA -0.677 51.625 52.037 0.442 0.000 0.750 152 A CB 1.446 20.611 19.000 0.275 0.000 1.296 152 A HN 0.710 nan 8.150 nan 0.000 0.423 153 L N 0.761 122.350 121.223 0.611 0.000 2.354 153 L HA 0.882 5.221 4.340 -0.001 0.000 0.269 153 L C 0.567 177.840 176.870 0.672 0.000 1.005 153 L CA -0.313 54.934 54.840 0.679 0.000 0.819 153 L CB 2.321 44.727 42.059 0.579 0.000 1.311 153 L HN 1.127 nan 8.230 nan 0.000 0.423 154 G N 0.643 109.887 108.800 0.741 0.000 2.336 154 G HA2 0.336 4.296 3.960 -0.001 0.000 0.286 154 G HA3 0.336 4.296 3.960 -0.001 0.000 0.286 154 G C -2.258 173.001 174.900 0.598 0.000 1.269 154 G CA -0.451 45.004 45.100 0.592 0.000 0.873 154 G HN 0.616 nan 8.290 nan 0.000 0.494 155 Y N -0.966 119.614 120.300 0.468 0.000 2.609 155 Y HA 0.769 5.318 4.550 -0.001 0.000 0.342 155 Y C -1.054 175.033 175.900 0.310 0.000 1.058 155 Y CA -1.486 56.835 58.100 0.369 0.000 1.055 155 Y CB 1.469 40.116 38.460 0.311 0.000 1.292 155 Y HN 0.336 nan 8.280 nan 0.000 0.476 156 D N 1.935 122.649 120.400 0.523 0.000 2.312 156 D HA 0.094 4.733 4.640 -0.001 0.000 0.252 156 D C -0.886 175.618 176.300 0.340 0.000 1.150 156 D CA -0.001 54.189 54.000 0.318 0.000 0.870 156 D CB 1.563 42.486 40.800 0.206 0.000 1.153 156 D HN 0.679 nan 8.370 nan 0.000 0.457 157 E N 2.153 122.479 120.200 0.210 0.000 2.167 157 E HA 0.013 4.363 4.350 -0.001 0.000 0.284 157 E C -0.348 176.301 176.600 0.082 0.000 1.016 157 E CA -0.349 56.160 56.400 0.183 0.000 0.817 157 E CB 0.368 30.141 29.700 0.121 0.000 1.080 157 E HN 0.192 nan 8.360 nan 0.000 0.397 158 E N 3.446 123.666 120.200 0.033 0.000 2.360 158 E HA -0.255 4.095 4.350 -0.001 0.000 0.238 158 E C -0.641 176.052 176.600 0.155 0.000 1.186 158 E CA 1.245 57.687 56.400 0.070 0.000 0.719 158 E CB -2.115 27.640 29.700 0.092 0.000 1.236 158 E HN 0.856 nan 8.360 nan 0.000 0.386 159 H N -1.712 117.403 119.070 0.074 0.000 2.690 159 H HA -0.199 4.357 4.556 -0.001 0.000 0.309 159 H C 0.188 175.550 175.328 0.056 0.000 1.138 159 H CA 1.349 57.436 56.048 0.064 0.000 1.142 159 H CB -1.731 28.055 29.762 0.040 0.000 1.410 159 H HN 0.448 nan 8.280 nan 0.000 0.409 160 E N 0.692 120.962 120.200 0.117 0.000 2.534 160 E HA -0.012 4.338 4.350 -0.001 0.000 0.264 160 E C 0.897 177.547 176.600 0.083 0.000 0.981 160 E CA 0.063 56.510 56.400 0.079 0.000 0.948 160 E CB 0.501 30.226 29.700 0.042 0.000 0.934 160 E HN 0.264 nan 8.360 nan 0.000 0.459 161 R N 2.635 123.170 120.500 0.057 0.000 2.340 161 R HA 0.140 4.479 4.340 -0.001 0.000 0.300 161 R C -0.702 175.622 176.300 0.040 0.000 1.069 161 R CA -0.213 55.918 56.100 0.051 0.000 0.984 161 R CB 0.290 30.610 30.300 0.033 0.000 1.003 161 R HN 0.457 nan 8.270 nan 0.000 0.459 162 L N 7.608 128.865 121.223 0.056 0.000 2.540 162 L HA 0.122 4.461 4.340 -0.001 0.000 0.276 162 L C -1.682 175.198 176.870 0.017 0.000 1.212 162 L CA -1.308 53.565 54.840 0.055 0.000 0.893 162 L CB 0.287 42.398 42.059 0.087 0.000 1.138 162 L HN 0.595 nan 8.230 nan 0.000 0.491 163 P HA -0.004 nan 4.420 nan 0.000 0.272 163 P C -0.503 176.786 177.300 -0.018 0.000 1.240 163 P CA -0.547 62.543 63.100 -0.016 0.000 0.791 163 P CB 0.334 32.015 31.700 -0.031 0.000 0.978 164 E N 1.234 121.424 120.200 -0.016 0.000 1.976 164 E HA -0.162 4.188 4.350 -0.001 0.000 0.297 164 E C 1.235 177.798 176.600 -0.061 0.000 0.595 164 E CA 1.759 58.146 56.400 -0.021 0.000 1.082 164 E CB -1.568 28.133 29.700 0.002 0.000 0.708 164 E HN 0.804 nan 8.360 nan 0.000 0.384 165 G N 2.949 111.686 108.800 -0.104 0.000 2.160 165 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.244 165 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.244 165 G C 0.217 174.898 174.900 -0.364 0.000 1.022 165 G CA 0.028 44.976 45.100 -0.252 0.000 0.741 165 G HN 0.400 nan 8.290 nan 0.000 0.508 166 I N 0.824 121.310 120.570 -0.140 0.000 2.392 166 I HA 0.419 4.589 4.170 -0.001 0.000 0.295 166 I C 0.599 176.731 176.117 0.026 0.000 0.985 166 I CA -0.889 60.389 61.300 -0.037 0.000 1.221 166 I CB 1.417 39.447 38.000 0.049 0.000 1.366 166 I HN 0.548 nan 8.210 nan 0.000 0.467 167 Q N 5.392 125.239 119.800 0.078 0.000 2.297 167 Q HA 0.903 5.242 4.340 -0.001 0.000 0.268 167 Q C -1.625 174.468 176.000 0.155 0.000 1.045 167 Q CA -0.891 54.966 55.803 0.090 0.000 0.861 167 Q CB 2.898 31.691 28.738 0.092 0.000 1.344 167 Q HN 0.687 nan 8.270 nan 0.000 0.452 168 A N 1.512 124.335 122.820 0.004 0.000 2.539 168 A HA 0.683 5.003 4.320 -0.001 0.000 0.296 168 A C -1.891 175.546 177.584 -0.243 0.000 1.073 168 A CA -0.680 51.324 52.037 -0.055 0.000 0.700 168 A CB 1.615 20.535 19.000 -0.133 0.000 1.296 168 A HN 0.880 nan 8.150 nan 0.000 0.405 169 H N 0.576 119.630 119.070 -0.027 0.000 2.840 169 H HA 0.396 4.952 4.556 -0.000 0.000 0.340 169 H C -1.388 173.978 175.328 0.064 0.000 1.004 169 H CA -0.466 55.596 56.048 0.024 0.000 1.288 169 H CB 1.328 31.114 29.762 0.040 0.000 1.607 169 H HN 0.608 nan 8.280 nan 0.000 0.522 170 D N 2.503 122.969 120.400 0.111 0.000 2.424 170 D HA -0.043 4.596 4.640 -0.001 0.000 0.244 170 D C 0.623 177.034 176.300 0.185 0.000 1.134 170 D CA 0.076 54.115 54.000 0.065 0.000 0.881 170 D CB 0.688 41.487 40.800 -0.002 0.000 1.191 170 D HN 0.735 nan 8.370 nan 0.000 0.445 171 W N 1.935 123.257 121.300 0.037 0.000 2.413 171 W HA 0.285 4.945 4.660 0.000 0.000 0.288 171 W C -0.801 175.801 176.519 0.137 0.000 0.958 171 W CA -0.460 56.911 57.345 0.044 0.000 1.333 171 W CB 0.047 29.506 29.460 -0.002 0.000 1.002 171 W HN 0.187 nan 8.180 nan 0.000 0.562 172 F N 2.488 122.145 119.950 -0.489 0.000 2.651 172 F HA 0.673 5.199 4.527 -0.001 0.000 0.329 172 F C -1.177 174.359 175.800 -0.440 0.000 1.186 172 F CA -1.422 56.308 58.000 -0.449 0.000 1.046 172 F CB 0.975 39.594 39.000 -0.635 0.000 1.296 172 F HN 0.011 nan 8.300 nan 0.000 0.497 173 A N 4.317 126.551 122.820 -0.977 0.000 2.305 173 A HA 0.739 5.058 4.320 -0.001 0.000 0.322 173 A C -1.238 175.524 177.584 -1.370 0.000 1.187 173 A CA -0.154 51.306 52.037 -0.961 0.000 0.825 173 A CB 1.183 19.849 19.000 -0.557 0.000 1.164 173 A HN 0.789 nan 8.150 nan 0.000 0.498 174 D N -0.347 119.262 120.400 -1.318 0.000 2.692 174 D HA 0.537 5.176 4.640 -0.001 0.000 0.303 174 D C -0.636 175.212 176.300 -0.752 0.000 1.278 174 D CA -0.438 52.961 54.000 -1.002 0.000 0.852 174 D CB 1.076 41.377 40.800 -0.831 0.000 1.375 174 D HN 0.732 nan 8.370 nan 0.000 0.453 175 R N -0.213 120.140 120.500 -0.244 0.000 2.888 175 R HA 0.603 4.943 4.340 -0.001 0.000 0.266 175 R C -1.001 175.437 176.300 0.229 0.000 1.020 175 R CA -0.786 55.331 56.100 0.028 0.000 0.963 175 R CB 0.607 30.888 30.300 -0.030 0.000 1.197 175 R HN 0.280 nan 8.270 nan 0.000 0.481 176 Y N 0.374 120.735 120.300 0.101 0.000 2.304 176 Y HA 0.367 4.916 4.550 -0.001 0.000 0.327 176 Y C 0.633 176.528 175.900 -0.007 0.000 1.209 176 Y CA -0.130 57.999 58.100 0.049 0.000 1.299 176 Y CB 1.694 40.169 38.460 0.025 0.000 1.249 176 Y HN 0.495 nan 8.280 nan 0.000 0.519 177 V N -0.234 119.744 119.914 0.107 0.000 3.102 177 V HA 0.760 4.880 4.120 -0.001 0.000 0.312 177 V C -1.049 175.110 176.094 0.109 0.000 1.135 177 V CA -1.198 61.137 62.300 0.059 0.000 1.022 177 V CB 1.643 33.476 31.823 0.016 0.000 1.056 177 V HN 0.371 nan 8.190 nan 0.000 0.436 178 V N 2.139 122.133 119.914 0.134 0.000 2.370 178 V HA 0.507 4.626 4.120 -0.001 0.000 0.279 178 V C -0.044 176.182 176.094 0.220 0.000 1.029 178 V CA -0.333 62.111 62.300 0.239 0.000 0.870 178 V CB 1.363 33.366 31.823 0.300 0.000 0.984 178 V HN 0.740 nan 8.190 nan 0.000 0.451 179 V N 4.594 124.609 119.914 0.169 0.000 2.435 179 V HA 0.879 4.999 4.120 -0.001 0.000 0.290 179 V C 0.352 176.527 176.094 0.136 0.000 1.030 179 V CA -0.213 62.143 62.300 0.093 0.000 0.881 179 V CB 1.527 33.363 31.823 0.022 0.000 0.983 179 V HN 1.018 nan 8.190 nan 0.000 0.445 180 A N 4.907 127.814 122.820 0.145 0.000 2.479 180 A HA 0.837 5.157 4.320 -0.001 0.000 0.296 180 A C -0.144 177.511 177.584 0.118 0.000 1.121 180 A CA -1.044 51.091 52.037 0.165 0.000 0.743 180 A CB 1.319 20.449 19.000 0.216 0.000 1.323 180 A HN 0.960 nan 8.150 nan 0.000 0.415 181 R N -0.148 120.433 120.500 0.136 0.000 2.756 181 R HA 0.187 4.526 4.340 -0.001 0.000 0.264 181 R C 0.747 177.105 176.300 0.097 0.000 1.026 181 R CA 0.078 56.223 56.100 0.075 0.000 1.121 181 R CB 0.350 30.677 30.300 0.045 0.000 0.999 181 R HN 0.721 nan 8.270 nan 0.000 0.449 182 R N 0.912 121.437 120.500 0.042 0.000 2.081 182 R HA -0.085 4.255 4.340 -0.001 0.000 0.235 182 R C -0.277 176.071 176.300 0.081 0.000 1.131 182 R CA 1.861 57.983 56.100 0.036 0.000 0.960 182 R CB -0.043 30.257 30.300 0.001 0.000 0.856 182 R HN 0.785 nan 8.270 nan 0.000 0.436 183 D N 0.870 121.309 120.400 0.066 0.000 2.505 183 D HA 0.052 4.691 4.640 -0.001 0.000 0.242 183 D C -0.860 175.489 176.300 0.081 0.000 1.136 183 D CA -0.111 53.931 54.000 0.071 0.000 0.954 183 D CB 0.187 41.004 40.800 0.029 0.000 1.002 183 D HN 0.299 nan 8.370 nan 0.000 0.512 184 H N 2.997 122.090 119.070 0.039 0.000 2.580 184 H HA 0.129 4.685 4.556 -0.001 0.000 0.322 184 H C -1.416 173.918 175.328 0.009 0.000 1.082 184 H CA -1.669 54.392 56.048 0.022 0.000 1.383 184 H CB 1.911 31.699 29.762 0.043 0.000 1.450 184 H HN 0.022 nan 8.280 nan 0.000 0.505 185 P HA -0.145 nan 4.420 nan 0.000 0.218 185 P C 0.492 177.841 177.300 0.082 0.000 1.146 185 P CA 1.340 64.399 63.100 -0.069 0.000 0.813 185 P CB 0.358 31.962 31.700 -0.160 0.000 0.778 186 R N -1.339 119.341 120.500 0.301 0.000 2.565 186 R HA 0.341 4.680 4.340 -0.001 0.000 0.347 186 R C 0.272 176.653 176.300 0.134 0.000 1.010 186 R CA -0.194 56.027 56.100 0.202 0.000 1.126 186 R CB 0.430 30.842 30.300 0.187 0.000 1.331 186 R HN 0.167 nan 8.270 nan 0.000 0.552 187 L N 0.922 122.240 121.223 0.159 0.000 2.335 187 L HA 0.405 4.745 4.340 -0.001 0.000 0.268 187 L C 0.953 177.842 176.870 0.031 0.000 1.037 187 L CA -0.394 54.440 54.840 -0.009 0.000 0.895 187 L CB 1.561 43.538 42.059 -0.137 0.000 1.266 187 L HN 0.113 nan 8.230 nan 0.000 0.439 188 A N 2.233 125.060 122.820 0.011 0.000 2.119 188 A HA 0.432 4.751 4.320 -0.001 0.000 0.216 188 A C 1.058 178.651 177.584 0.016 0.000 1.152 188 A CA 1.124 53.174 52.037 0.022 0.000 0.708 188 A CB 0.020 19.029 19.000 0.015 0.000 0.805 188 A HN 0.718 nan 8.150 nan 0.000 0.460 189 G N -2.695 106.081 108.800 -0.040 0.000 2.634 189 G HA2 0.551 4.511 3.960 -0.001 0.000 0.309 189 G HA3 0.551 4.511 3.960 -0.001 0.000 0.309 189 G C -0.416 174.325 174.900 -0.265 0.000 1.299 189 G CA -0.146 44.928 45.100 -0.043 0.000 0.798 189 G HN 0.831 nan 8.290 nan 0.000 0.490 190 A N 0.913 123.589 122.820 -0.239 0.000 2.561 190 A HA 0.537 4.857 4.320 -0.001 0.000 0.234 190 A C -1.713 175.642 177.584 -0.383 0.000 1.055 190 A CA -0.225 51.536 52.037 -0.460 0.000 0.756 190 A CB -0.549 18.398 19.000 -0.090 0.000 0.986 190 A HN 0.445 nan 8.150 nan 0.000 0.505 191 P HA 0.242 nan 4.420 nan 0.000 0.275 191 P C 0.315 177.572 177.300 -0.072 0.000 1.228 191 P CA -0.056 62.927 63.100 -0.194 0.000 0.786 191 P CB 0.666 32.296 31.700 -0.117 0.000 0.927 192 T N -0.318 114.224 114.554 -0.020 0.000 2.810 192 T HA 0.139 4.488 4.350 -0.001 0.000 0.277 192 T C 1.193 175.942 174.700 0.081 0.000 0.973 192 T CA -0.647 61.462 62.100 0.014 0.000 0.949 192 T CB 0.198 69.075 68.868 0.014 0.000 1.075 192 T HN 0.177 nan 8.240 nan 0.000 0.537 193 L N 0.312 121.588 121.223 0.087 0.000 2.056 193 L HA 0.100 4.440 4.340 -0.001 0.000 0.207 193 L C 2.669 179.638 176.870 0.166 0.000 1.078 193 L CA 2.071 56.995 54.840 0.141 0.000 0.749 193 L CB -1.158 40.960 42.059 0.099 0.000 0.901 193 L HN 0.964 nan 8.230 nan 0.000 0.433 194 E N -0.991 119.270 120.200 0.103 0.000 2.106 194 E HA -0.134 4.216 4.350 -0.001 0.000 0.192 194 E C 2.104 178.765 176.600 0.102 0.000 0.984 194 E CA 1.133 57.587 56.400 0.089 0.000 0.806 194 E CB -0.481 29.251 29.700 0.053 0.000 0.750 194 E HN 0.549 nan 8.360 nan 0.000 0.458 195 G N -0.232 108.623 108.800 0.091 0.000 2.402 195 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.216 195 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.216 195 G C 1.392 176.356 174.900 0.106 0.000 1.162 195 G CA 0.875 46.013 45.100 0.064 0.000 0.777 195 G HN 0.418 nan 8.290 nan 0.000 0.539 196 Y N 1.098 121.429 120.300 0.052 0.000 2.128 196 Y HA -0.046 4.504 4.550 -0.001 0.000 0.284 196 Y C 2.414 178.454 175.900 0.233 0.000 1.154 196 Y CA 1.490 59.675 58.100 0.142 0.000 1.149 196 Y CB -0.118 38.474 38.460 0.220 0.000 0.976 196 Y HN 0.095 nan 8.280 nan 0.000 0.505 197 L N -0.382 121.022 121.223 0.302 0.000 2.478 197 L HA 0.027 4.367 4.340 -0.001 0.000 0.223 197 L C 2.317 179.255 176.870 0.114 0.000 1.140 197 L CA 0.596 55.552 54.840 0.193 0.000 0.842 197 L CB -0.528 41.619 42.059 0.147 0.000 0.953 197 L HN 0.299 nan 8.230 nan 0.000 0.452 198 A N -1.135 121.739 122.820 0.089 0.000 2.218 198 A HA 0.059 4.378 4.320 -0.001 0.000 0.209 198 A C 0.884 178.490 177.584 0.036 0.000 1.168 198 A CA 0.426 52.496 52.037 0.055 0.000 0.804 198 A CB -0.027 19.003 19.000 0.049 0.000 0.834 198 A HN 0.149 nan 8.150 nan 0.000 0.482 199 E N 0.044 120.243 120.200 -0.003 0.000 2.232 199 E HA 0.454 4.804 4.350 -0.001 0.000 0.265 199 E C -0.365 176.163 176.600 -0.121 0.000 1.001 199 E CA -0.534 55.820 56.400 -0.076 0.000 0.870 199 E CB 0.816 30.386 29.700 -0.216 0.000 1.175 199 E HN 0.349 nan 8.360 nan 0.000 0.407 200 R N 0.488 120.925 120.500 -0.105 0.000 2.532 200 R HA 0.420 4.760 4.340 -0.001 0.000 0.272 200 R C 0.112 176.169 176.300 -0.406 0.000 1.032 200 R CA -0.442 55.566 56.100 -0.152 0.000 1.089 200 R CB 0.825 31.019 30.300 -0.177 0.000 1.098 200 R HN 0.441 nan 8.270 nan 0.000 0.526 201 H N -0.652 118.242 119.070 -0.293 0.000 2.747 201 H HA 0.461 5.017 4.556 -0.001 0.000 0.371 201 H C -0.814 174.363 175.328 -0.251 0.000 1.161 201 H CA -0.884 55.034 56.048 -0.215 0.000 1.167 201 H CB 2.250 31.903 29.762 -0.181 0.000 1.732 201 H HN 0.646 nan 8.280 nan 0.000 0.544 202 A N 2.002 124.835 122.820 0.022 0.000 2.312 202 A HA 0.588 4.907 4.320 -0.001 0.000 0.326 202 A C -0.555 177.072 177.584 0.073 0.000 1.172 202 A CA -0.534 51.524 52.037 0.035 0.000 0.821 202 A CB 0.768 19.848 19.000 0.133 0.000 1.166 202 A HN 0.346 nan 8.150 nan 0.000 0.493 203 V N 2.722 122.662 119.914 0.043 0.000 2.623 203 V HA 0.343 4.462 4.120 -0.001 0.000 0.304 203 V C -0.454 175.663 176.094 0.038 0.000 1.054 203 V CA -0.620 61.710 62.300 0.050 0.000 0.882 203 V CB 1.713 33.551 31.823 0.026 0.000 1.002 203 V HN 0.658 nan 8.190 nan 0.000 0.424 204 V N 3.912 123.854 119.914 0.046 0.000 2.406 204 V HA 0.448 4.568 4.120 -0.001 0.000 0.272 204 V C 0.629 176.729 176.094 0.010 0.000 1.043 204 V CA -0.118 62.192 62.300 0.016 0.000 0.915 204 V CB 1.653 33.478 31.823 0.005 0.000 0.988 204 V HN 1.045 nan 8.190 nan 0.000 0.466 205 T N 2.927 117.472 114.554 -0.015 0.000 3.331 205 T HA 0.334 4.683 4.350 -0.001 0.000 0.381 205 T C -2.051 172.599 174.700 -0.083 0.000 1.656 205 T CA -1.719 60.377 62.100 -0.006 0.000 1.453 205 T CB 1.250 70.130 68.868 0.020 0.000 1.066 205 T HN 0.441 nan 8.240 nan 0.000 0.655 206 P HA 0.045 nan 4.420 nan 0.000 0.226 206 P C 0.130 177.045 177.300 -0.642 0.000 1.153 206 P CA 0.570 63.346 63.100 -0.540 0.000 0.777 206 P CB 0.086 31.192 31.700 -0.989 0.000 0.794 207 W N 0.093 121.405 121.300 0.020 0.000 2.390 207 W HA 0.262 4.921 4.660 -0.001 0.000 0.397 207 W C -0.056 176.471 176.519 0.013 0.000 0.839 207 W CA -0.502 56.852 57.345 0.016 0.000 2.576 207 W CB -0.808 28.654 29.460 0.004 0.000 1.346 207 W HN 0.072 nan 8.180 nan 0.000 0.708 208 N N 1.581 120.346 118.700 0.108 0.000 2.725 208 N HA -0.187 4.553 4.740 -0.001 0.000 0.249 208 N C 0.280 175.845 175.510 0.092 0.000 1.103 208 N CA 1.468 54.566 53.050 0.081 0.000 0.707 208 N CB -1.345 37.188 38.487 0.076 0.000 1.043 208 N HN 0.375 nan 8.380 nan 0.000 0.553 209 E N 0.094 120.361 120.200 0.113 0.000 2.392 209 E HA 0.166 4.516 4.350 -0.001 0.000 0.256 209 E C 0.071 176.703 176.600 0.054 0.000 1.145 209 E CA -0.142 56.312 56.400 0.090 0.000 0.929 209 E CB 0.473 30.240 29.700 0.111 0.000 0.998 209 E HN 0.076 nan 8.360 nan 0.000 0.442 210 D N -0.358 120.065 120.400 0.039 0.000 2.349 210 D HA 0.029 4.668 4.640 -0.001 0.000 0.224 210 D C -0.221 176.089 176.300 0.016 0.000 1.029 210 D CA 0.550 54.564 54.000 0.023 0.000 0.879 210 D CB 0.219 41.029 40.800 0.016 0.000 0.906 210 D HN 0.465 nan 8.370 nan 0.000 0.528 211 S N -1.745 113.970 115.700 0.024 0.000 2.588 211 S HA 0.697 5.166 4.470 -0.001 0.000 0.269 211 S C -0.085 174.532 174.600 0.030 0.000 1.157 211 S CA -1.038 57.171 58.200 0.015 0.000 0.824 211 S CB 1.481 64.684 63.200 0.004 0.000 1.126 211 S HN -0.011 nan 8.310 nan 0.000 0.464 212 G N -0.166 108.648 108.800 0.023 0.000 2.462 212 G HA2 0.519 4.478 3.960 -0.001 0.000 0.319 212 G HA3 0.519 4.478 3.960 -0.001 0.000 0.319 212 G C 0.811 175.734 174.900 0.037 0.000 1.171 212 G CA -0.346 44.779 45.100 0.042 0.000 0.920 212 G HN 1.222 nan 8.290 nan 0.000 0.499 213 V N 1.194 121.141 119.914 0.055 0.000 2.469 213 V HA -0.144 3.975 4.120 -0.001 0.000 0.251 213 V C 2.394 178.482 176.094 -0.009 0.000 1.064 213 V CA 1.476 63.801 62.300 0.041 0.000 1.066 213 V CB -0.463 31.415 31.823 0.091 0.000 0.667 213 V HN 0.602 nan 8.190 nan 0.000 0.461 214 I N -0.027 120.535 120.570 -0.012 0.000 2.353 214 I HA -0.110 4.060 4.170 -0.001 0.000 0.248 214 I C 2.306 178.397 176.117 -0.044 0.000 1.119 214 I CA 1.462 62.754 61.300 -0.013 0.000 1.417 214 I CB -1.511 36.534 38.000 0.074 0.000 1.078 214 I HN 0.376 nan 8.210 nan 0.000 0.421 215 D N 1.094 121.472 120.400 -0.037 0.000 2.149 215 D HA -0.187 4.452 4.640 -0.001 0.000 0.198 215 D C 2.304 178.566 176.300 -0.063 0.000 0.990 215 D CA 1.217 55.178 54.000 -0.065 0.000 0.839 215 D CB -0.061 40.711 40.800 -0.046 0.000 0.948 215 D HN 0.399 nan 8.370 nan 0.000 0.460 216 R N 0.040 120.518 120.500 -0.037 0.000 2.073 216 R HA -0.059 4.280 4.340 -0.001 0.000 0.229 216 R C 2.425 178.702 176.300 -0.039 0.000 1.120 216 R CA 0.305 56.389 56.100 -0.027 0.000 0.967 216 R CB -0.448 29.849 30.300 -0.004 0.000 0.862 216 R HN 0.108 nan 8.270 nan 0.000 0.436 217 L N 1.486 122.683 121.223 -0.043 0.000 1.990 217 L HA -0.186 4.153 4.340 -0.001 0.000 0.213 217 L C 1.984 178.791 176.870 -0.105 0.000 1.072 217 L CA 1.745 56.555 54.840 -0.051 0.000 0.755 217 L CB -0.497 41.542 42.059 -0.033 0.000 0.889 217 L HN 0.129 nan 8.230 nan 0.000 0.432 218 L N -0.465 120.650 121.223 -0.179 0.000 2.042 218 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 218 L C 2.696 179.476 176.870 -0.151 0.000 1.076 218 L CA 1.275 55.965 54.840 -0.250 0.000 0.749 218 L CB -1.031 40.834 42.059 -0.323 0.000 0.893 218 L HN 0.435 nan 8.230 nan 0.000 0.432 219 A N -0.037 122.721 122.820 -0.104 0.000 1.972 219 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 219 A C 2.350 179.901 177.584 -0.056 0.000 1.169 219 A CA 1.305 53.299 52.037 -0.071 0.000 0.635 219 A CB -0.480 18.489 19.000 -0.052 0.000 0.810 219 A HN 0.335 nan 8.150 nan 0.000 0.446 220 R N -0.063 120.406 120.500 -0.051 0.000 2.193 220 R HA -0.030 4.310 4.340 -0.001 0.000 0.229 220 R C 1.034 177.312 176.300 -0.037 0.000 1.110 220 R CA 1.282 57.362 56.100 -0.034 0.000 0.988 220 R CB -0.144 30.144 30.300 -0.020 0.000 0.871 220 R HN 0.447 nan 8.270 nan 0.000 0.458 221 S N -0.674 114.992 115.700 -0.056 0.000 2.582 221 S HA 0.177 4.646 4.470 -0.001 0.000 0.234 221 S C 0.861 175.429 174.600 -0.054 0.000 0.961 221 S CA 0.365 58.534 58.200 -0.053 0.000 0.953 221 S CB 1.354 64.513 63.200 -0.068 0.000 0.800 221 S HN 0.594 nan 8.310 nan 0.000 0.471 222 G N 1.628 110.397 108.800 -0.052 0.000 2.153 222 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.252 222 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.252 222 G C -0.096 174.770 174.900 -0.058 0.000 0.994 222 G CA 0.165 45.237 45.100 -0.046 0.000 0.698 222 G HN 0.484 nan 8.290 nan 0.000 0.521 223 L N -0.077 121.095 121.223 -0.085 0.000 2.330 223 L HA 0.876 5.215 4.340 -0.001 0.000 0.271 223 L C 0.746 177.554 176.870 -0.105 0.000 1.013 223 L CA -1.296 53.485 54.840 -0.099 0.000 0.816 223 L CB 1.625 43.595 42.059 -0.148 0.000 1.287 223 L HN 0.378 nan 8.230 nan 0.000 0.435 224 R N 1.274 121.721 120.500 -0.089 0.000 2.774 224 R HA 0.667 5.006 4.340 -0.001 0.000 0.272 224 R C -1.517 174.724 176.300 -0.099 0.000 1.000 224 R CA -1.046 54.997 56.100 -0.095 0.000 0.906 224 R CB 2.258 32.517 30.300 -0.069 0.000 1.227 224 R HN 0.716 nan 8.270 nan 0.000 0.468 225 R N 0.167 120.581 120.500 -0.143 0.000 2.778 225 R HA 0.392 4.732 4.340 -0.001 0.000 0.277 225 R C -0.900 175.332 176.300 -0.114 0.000 0.977 225 R CA -0.914 55.066 56.100 -0.199 0.000 0.950 225 R CB 1.873 31.840 30.300 -0.554 0.000 1.165 225 R HN 0.759 nan 8.270 nan 0.000 0.474 226 E N 2.129 122.314 120.200 -0.025 0.000 2.152 226 E HA 0.157 4.507 4.350 -0.001 0.000 0.285 226 E C -0.949 175.650 176.600 -0.002 0.000 1.043 226 E CA -0.624 55.773 56.400 -0.005 0.000 0.839 226 E CB 1.251 30.960 29.700 0.014 0.000 1.069 226 E HN 0.377 nan 8.360 nan 0.000 0.399 227 V N 4.749 124.629 119.914 -0.057 0.000 2.406 227 V HA 0.236 4.355 4.120 -0.001 0.000 0.272 227 V C 0.825 176.824 176.094 -0.159 0.000 1.043 227 V CA 0.279 62.526 62.300 -0.087 0.000 0.915 227 V CB 0.989 32.772 31.823 -0.067 0.000 0.988 227 V HN 0.897 nan 8.190 nan 0.000 0.466 228 A N 4.956 127.585 122.820 -0.318 0.000 1.973 228 A HA 0.475 4.794 4.320 -0.001 0.000 0.210 228 A C 0.565 177.990 177.584 -0.265 0.000 1.200 228 A CA 0.447 52.231 52.037 -0.421 0.000 0.707 228 A CB 0.464 18.827 19.000 -1.063 0.000 0.862 228 A HN 0.599 nan 8.150 nan 0.000 0.461 229 V N 0.375 120.156 119.914 -0.221 0.000 2.808 229 V HA 0.356 4.476 4.120 -0.001 0.000 0.308 229 V C -1.216 174.856 176.094 -0.036 0.000 1.099 229 V CA -0.728 61.528 62.300 -0.074 0.000 0.920 229 V CB 1.715 33.542 31.823 0.006 0.000 1.014 229 V HN 0.499 nan 8.190 nan 0.000 0.425 230 Q N 4.310 124.102 119.800 -0.012 0.000 2.309 230 Q HA 0.916 5.255 4.340 -0.001 0.000 0.264 230 Q C -1.084 174.922 176.000 0.009 0.000 1.008 230 Q CA -0.687 55.117 55.803 0.001 0.000 0.853 230 Q CB 2.831 31.569 28.738 0.001 0.000 1.314 230 Q HN 0.754 nan 8.270 nan 0.000 0.448 231 L N -1.400 119.828 121.223 0.009 0.000 2.622 231 L HA 0.610 4.949 4.340 -0.001 0.000 0.258 231 L C -2.689 174.172 176.870 -0.015 0.000 0.996 231 L CA -2.302 52.541 54.840 0.004 0.000 0.858 231 L CB 1.948 44.018 42.059 0.018 0.000 1.449 231 L HN 0.266 nan 8.230 nan 0.000 0.411 232 P HA 0.047 nan 4.420 nan 0.000 0.249 232 P C 0.244 177.493 177.300 -0.084 0.000 1.229 232 P CA 0.568 63.619 63.100 -0.081 0.000 0.788 232 P CB 0.192 31.835 31.700 -0.095 0.000 1.072 233 T N -1.068 113.464 114.554 -0.037 0.000 2.809 233 T HA 0.285 4.634 4.350 -0.001 0.000 0.284 233 T C 0.994 175.688 174.700 -0.010 0.000 0.992 233 T CA -0.571 61.518 62.100 -0.020 0.000 0.957 233 T CB 0.862 69.731 68.868 0.002 0.000 0.942 233 T HN -0.339 nan 8.240 nan 0.000 0.439 234 V N 5.998 125.901 119.914 -0.019 0.000 2.427 234 V HA -0.077 4.043 4.120 -0.001 0.000 0.248 234 V C 2.524 178.581 176.094 -0.061 0.000 1.051 234 V CA 1.545 63.811 62.300 -0.056 0.000 1.048 234 V CB -0.730 31.024 31.823 -0.116 0.000 0.666 234 V HN 0.816 nan 8.190 nan 0.000 0.456 235 L N 0.232 121.429 121.223 -0.043 0.000 2.056 235 L HA -0.091 4.249 4.340 -0.001 0.000 0.207 235 L C 2.793 179.730 176.870 0.112 0.000 1.078 235 L CA 1.526 56.342 54.840 -0.039 0.000 0.749 235 L CB -0.875 41.162 42.059 -0.037 0.000 0.901 235 L HN 0.357 nan 8.230 nan 0.000 0.433 236 A N 0.249 123.143 122.820 0.124 0.000 1.933 236 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 236 A C 2.536 180.210 177.584 0.149 0.000 1.175 236 A CA 1.641 53.783 52.037 0.176 0.000 0.628 236 A CB -0.622 18.430 19.000 0.087 0.000 0.814 236 A HN 0.399 nan 8.150 nan 0.000 0.444 237 A N -0.351 122.511 122.820 0.070 0.000 1.978 237 A HA -0.054 4.266 4.320 -0.001 0.000 0.220 237 A C 2.131 179.736 177.584 0.034 0.000 1.170 237 A CA 1.508 53.578 52.037 0.056 0.000 0.636 237 A CB -0.539 18.479 19.000 0.030 0.000 0.810 237 A HN 0.484 nan 8.150 nan 0.000 0.448 238 L N -2.333 118.867 121.223 -0.039 0.000 2.109 238 L HA -0.103 4.237 4.340 -0.001 0.000 0.207 238 L C 2.373 179.123 176.870 -0.201 0.000 1.086 238 L CA 1.028 55.775 54.840 -0.155 0.000 0.760 238 L CB -0.414 41.472 42.059 -0.287 0.000 0.910 238 L HN 0.412 nan 8.230 nan 0.000 0.437 239 F N -0.750 119.185 119.950 -0.025 0.000 2.186 239 F HA -0.229 4.297 4.527 -0.001 0.000 0.299 239 F C 2.253 178.047 175.800 -0.010 0.000 1.090 239 F CA 0.904 58.892 58.000 -0.021 0.000 1.307 239 F CB -0.219 38.768 39.000 -0.023 0.000 1.019 239 F HN 0.001 nan 8.300 nan 0.000 0.489 240 L N 0.734 122.061 121.223 0.172 0.000 1.989 240 L HA -0.170 4.169 4.340 -0.001 0.000 0.211 240 L C 2.448 179.362 176.870 0.073 0.000 1.071 240 L CA 2.117 57.029 54.840 0.120 0.000 0.749 240 L CB -1.252 40.895 42.059 0.147 0.000 0.890 240 L HN 0.053 nan 8.230 nan 0.000 0.431 241 A N -0.476 122.386 122.820 0.070 0.000 1.948 241 A HA -0.145 4.175 4.320 -0.001 0.000 0.220 241 A C 2.292 179.884 177.584 0.013 0.000 1.177 241 A CA 1.723 53.795 52.037 0.058 0.000 0.636 241 A CB -1.670 17.359 19.000 0.050 0.000 0.815 241 A HN 0.589 nan 8.150 nan 0.000 0.449 242 G N -1.640 107.153 108.800 -0.010 0.000 2.534 242 G HA2 0.061 4.020 3.960 -0.001 0.000 0.217 242 G HA3 0.061 4.020 3.960 -0.001 0.000 0.217 242 G C 1.291 176.187 174.900 -0.007 0.000 1.128 242 G CA 1.080 46.170 45.100 -0.016 0.000 0.784 242 G HN 0.490 nan 8.290 nan 0.000 0.542 243 S N -0.326 115.366 115.700 -0.013 0.000 2.568 243 S HA 0.250 4.720 4.470 -0.001 0.000 0.232 243 S C 0.629 175.144 174.600 -0.142 0.000 0.975 243 S CA 0.299 58.469 58.200 -0.050 0.000 0.949 243 S CB 0.413 63.599 63.200 -0.023 0.000 0.829 243 S HN 0.642 nan 8.310 nan 0.000 0.479 244 T N -1.848 112.587 114.554 -0.200 0.000 2.812 244 T HA 0.397 4.746 4.350 -0.001 0.000 0.294 244 T C -0.782 173.734 174.700 -0.306 0.000 1.159 244 T CA -0.701 61.155 62.100 -0.405 0.000 1.008 244 T CB 1.130 69.476 68.868 -0.870 0.000 1.289 244 T HN -0.244 nan 8.240 nan 0.000 0.514 245 D N -0.116 120.059 120.400 -0.374 0.000 2.349 245 D HA 0.178 4.817 4.640 -0.001 0.000 0.224 245 D C -0.023 176.385 176.300 0.180 0.000 1.029 245 D CA 0.158 54.052 54.000 -0.178 0.000 0.879 245 D CB -0.296 40.359 40.800 -0.241 0.000 0.906 245 D HN 0.364 nan 8.370 nan 0.000 0.528 246 F N 1.088 121.051 119.950 0.020 0.000 2.529 246 F HA 0.138 4.664 4.527 -0.001 0.000 0.365 246 F C 1.178 176.942 175.800 -0.060 0.000 1.102 246 F CA -0.794 57.181 58.000 -0.042 0.000 1.271 246 F CB -0.044 38.939 39.000 -0.029 0.000 1.120 246 F HN -0.255 nan 8.300 nan 0.000 0.579 247 L N 4.472 125.666 121.223 -0.049 0.000 2.334 247 L HA 0.447 4.786 4.340 -0.001 0.000 0.277 247 L C -0.463 176.451 176.870 0.073 0.000 1.075 247 L CA -0.919 53.878 54.840 -0.071 0.000 0.804 247 L CB 1.503 43.373 42.059 -0.314 0.000 1.174 247 L HN 0.453 nan 8.230 nan 0.000 0.438 248 L N 2.195 123.506 121.223 0.147 0.000 2.362 248 L HA 0.487 4.827 4.340 -0.001 0.000 0.275 248 L C -0.406 176.600 176.870 0.227 0.000 0.998 248 L CA 0.195 55.137 54.840 0.170 0.000 0.820 248 L CB 2.078 44.199 42.059 0.103 0.000 1.270 248 L HN 0.438 nan 8.230 nan 0.000 0.415 249 T N 5.112 119.842 114.554 0.293 0.000 2.853 249 T HA 0.835 5.185 4.350 -0.001 0.000 0.317 249 T C -0.220 174.691 174.700 0.352 0.000 1.059 249 T CA -0.151 62.163 62.100 0.357 0.000 0.954 249 T CB 0.698 69.848 68.868 0.470 0.000 0.994 249 T HN 0.810 nan 8.240 nan 0.000 0.479 250 A N 4.818 127.738 122.820 0.166 0.000 2.479 250 A HA 0.914 5.233 4.320 -0.001 0.000 0.296 250 A C -2.949 174.302 177.584 -0.554 0.000 1.121 250 A CA -2.448 49.491 52.037 -0.163 0.000 0.743 250 A CB 1.009 19.916 19.000 -0.156 0.000 1.323 250 A HN 0.399 nan 8.150 nan 0.000 0.415 251 P HA 0.065 nan 4.420 nan 0.000 0.261 251 P C 0.638 177.815 177.300 -0.204 0.000 1.183 251 P CA 0.145 62.816 63.100 -0.716 0.000 0.761 251 P CB 0.438 31.567 31.700 -0.951 0.000 0.785 252 R N 3.562 124.054 120.500 -0.014 0.000 2.120 252 R HA -0.241 4.099 4.340 -0.001 0.000 0.234 252 R C 1.768 178.175 176.300 0.178 0.000 1.123 252 R CA 1.539 57.672 56.100 0.056 0.000 0.975 252 R CB -0.463 29.873 30.300 0.061 0.000 0.866 252 R HN 0.540 nan 8.270 nan 0.000 0.446 253 H N 0.228 119.439 119.070 0.235 0.000 2.321 253 H HA -0.024 4.531 4.556 -0.001 0.000 0.300 253 H C 1.726 177.280 175.328 0.377 0.000 1.087 253 H CA 2.180 58.459 56.048 0.386 0.000 1.319 253 H CB -0.234 29.925 29.762 0.662 0.000 1.379 253 H HN 0.345 nan 8.280 nan 0.000 0.501 254 A N 0.717 123.675 122.820 0.231 0.000 1.873 254 A HA -0.015 4.305 4.320 -0.001 0.000 0.215 254 A C 2.661 180.126 177.584 -0.198 0.000 1.186 254 A CA 1.781 53.707 52.037 -0.186 0.000 0.616 254 A CB -1.346 17.485 19.000 -0.281 0.000 0.823 254 A HN 0.590 nan 8.150 nan 0.000 0.442 255 A N -0.084 122.660 122.820 -0.128 0.000 1.908 255 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 255 A C 2.254 179.775 177.584 -0.105 0.000 1.181 255 A CA 1.707 53.665 52.037 -0.131 0.000 0.627 255 A CB -0.507 18.433 19.000 -0.101 0.000 0.818 255 A HN 0.559 nan 8.150 nan 0.000 0.445 256 R N -0.731 119.744 120.500 -0.041 0.000 2.096 256 R HA -0.057 4.282 4.340 -0.001 0.000 0.235 256 R C 2.394 178.677 176.300 -0.028 0.000 1.127 256 R CA 1.165 57.254 56.100 -0.019 0.000 0.968 256 R CB -0.424 29.903 30.300 0.045 0.000 0.861 256 R HN 0.515 nan 8.270 nan 0.000 0.440 257 A N 0.393 123.199 122.820 -0.024 0.000 2.066 257 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 257 A C 1.572 179.119 177.584 -0.063 0.000 1.157 257 A CA 1.082 53.120 52.037 0.002 0.000 0.670 257 A CB 0.085 19.162 19.000 0.128 0.000 0.804 257 A HN 0.105 nan 8.150 nan 0.000 0.453 258 L N -1.373 119.758 121.223 -0.154 0.000 2.693 258 L HA 0.339 4.678 4.340 -0.001 0.000 0.235 258 L C 2.389 179.121 176.870 -0.231 0.000 1.127 258 L CA 0.772 55.471 54.840 -0.234 0.000 0.914 258 L CB -0.360 41.451 42.059 -0.413 0.000 1.193 258 L HN 0.292 nan 8.230 nan 0.000 0.502 259 A N 0.105 122.831 122.820 -0.156 0.000 1.892 259 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 259 A C 2.333 179.848 177.584 -0.114 0.000 1.188 259 A CA 2.265 54.221 52.037 -0.137 0.000 0.631 259 A CB -0.291 18.646 19.000 -0.104 0.000 0.822 259 A HN 0.413 nan 8.150 nan 0.000 0.447 260 E N -0.332 119.820 120.200 -0.081 0.000 2.051 260 E HA 0.084 4.434 4.350 -0.001 0.000 0.189 260 E C 2.053 178.630 176.600 -0.039 0.000 0.979 260 E CA 1.379 57.749 56.400 -0.049 0.000 0.803 260 E CB -0.459 29.226 29.700 -0.024 0.000 0.761 260 E HN 0.438 nan 8.360 nan 0.000 0.451 261 A N 0.633 123.429 122.820 -0.040 0.000 1.908 261 A HA -0.062 4.258 4.320 -0.001 0.000 0.218 261 A C 2.318 179.911 177.584 0.016 0.000 1.181 261 A CA 2.090 54.148 52.037 0.034 0.000 0.627 261 A CB -0.788 18.272 19.000 0.100 0.000 0.818 261 A HN 0.378 nan 8.150 nan 0.000 0.445 262 A N -2.114 120.543 122.820 -0.272 0.000 2.195 262 A HA 0.445 4.765 4.320 -0.001 0.000 0.210 262 A C 1.564 179.073 177.584 -0.124 0.000 1.165 262 A CA 1.102 52.925 52.037 -0.356 0.000 0.806 262 A CB -0.657 17.866 19.000 -0.794 0.000 0.847 262 A HN 1.998 nan 8.150 nan 0.000 0.482 263 G N -0.245 108.498 108.800 -0.095 0.000 2.401 263 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.283 263 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.283 263 G C -0.295 174.569 174.900 -0.061 0.000 1.117 263 G CA 0.269 45.337 45.100 -0.052 0.000 1.051 263 G HN 0.454 nan 8.290 nan 0.000 0.510 264 L N -0.398 120.771 121.223 -0.091 0.000 2.322 264 L HA 0.909 5.249 4.340 -0.001 0.000 0.269 264 L C 0.671 177.475 176.870 -0.110 0.000 1.012 264 L CA -0.823 53.962 54.840 -0.092 0.000 0.815 264 L CB 2.036 44.018 42.059 -0.128 0.000 1.295 264 L HN 0.462 nan 8.230 nan 0.000 0.438 265 A N 2.314 125.056 122.820 -0.130 0.000 2.340 265 A HA 0.864 5.184 4.320 -0.001 0.000 0.331 265 A C -0.936 176.368 177.584 -0.467 0.000 1.140 265 A CA -0.528 51.321 52.037 -0.314 0.000 0.801 265 A CB 1.154 19.973 19.000 -0.302 0.000 1.234 265 A HN 0.600 nan 8.150 nan 0.000 0.469 266 L N 1.559 122.409 121.223 -0.622 0.000 2.386 266 L HA 0.603 4.942 4.340 -0.001 0.000 0.271 266 L C -1.479 175.046 176.870 -0.576 0.000 0.993 266 L CA -0.529 54.051 54.840 -0.432 0.000 0.819 266 L CB 1.628 43.561 42.059 -0.209 0.000 1.294 266 L HN 0.773 nan 8.230 nan 0.000 0.414 267 Y N 1.618 121.913 120.300 -0.008 0.000 2.576 267 Y HA 0.517 5.067 4.550 -0.001 0.000 0.346 267 Y C -2.260 173.617 175.900 -0.038 0.000 1.018 267 Y CA -2.590 55.500 58.100 -0.018 0.000 1.050 267 Y CB 1.575 40.029 38.460 -0.010 0.000 1.280 267 Y HN 0.377 nan 8.280 nan 0.000 0.474 268 P HA 0.212 nan 4.420 nan 0.000 0.271 268 P C -0.743 176.508 177.300 -0.082 0.000 1.218 268 P CA -0.256 62.840 63.100 -0.007 0.000 0.780 268 P CB 0.762 32.446 31.700 -0.028 0.000 0.901 269 A N 4.910 127.585 122.820 -0.241 0.000 2.511 269 A HA 0.221 4.540 4.320 -0.001 0.000 0.242 269 A C -1.276 175.994 177.584 -0.523 0.000 1.069 269 A CA -0.779 50.912 52.037 -0.577 0.000 0.763 269 A CB -0.972 17.387 19.000 -1.068 0.000 1.001 269 A HN 0.459 nan 8.150 nan 0.000 0.498 270 P HA 0.197 nan 4.420 nan 0.000 0.253 270 P C -0.786 176.469 177.300 -0.076 0.000 1.508 270 P CA 0.381 63.369 63.100 -0.187 0.000 0.883 270 P CB -0.814 30.856 31.700 -0.050 0.000 1.519 271 F N -2.969 116.889 119.950 -0.153 0.000 2.711 271 F HA 0.570 5.097 4.527 -0.001 0.000 0.313 271 F C -0.875 174.866 175.800 -0.100 0.000 1.141 271 F CA -1.687 56.238 58.000 -0.126 0.000 0.941 271 F CB 0.279 39.182 39.000 -0.160 0.000 1.349 271 F HN -0.416 nan 8.300 nan 0.000 0.464 272 D N 2.055 122.534 120.400 0.131 0.000 2.312 272 D HA 0.491 5.131 4.640 -0.001 0.000 0.252 272 D C -0.370 175.976 176.300 0.077 0.000 1.150 272 D CA 0.463 54.484 54.000 0.035 0.000 0.870 272 D CB 1.489 42.317 40.800 0.046 0.000 1.153 272 D HN 0.501 nan 8.370 nan 0.000 0.457 273 I N 3.307 123.861 120.570 -0.026 0.000 2.436 273 I HA 0.241 4.410 4.170 -0.001 0.000 0.289 273 I C -2.116 173.989 176.117 -0.020 0.000 1.010 273 I CA -2.066 59.229 61.300 -0.009 0.000 1.098 273 I CB 1.858 39.824 38.000 -0.056 0.000 1.266 273 I HN 0.038 nan 8.210 nan 0.000 0.434 274 P HA 0.208 nan 4.420 nan 0.000 0.267 274 P C -2.507 174.773 177.300 -0.034 0.000 1.200 274 P CA -0.836 62.248 63.100 -0.026 0.000 0.772 274 P CB -0.371 31.310 31.700 -0.031 0.000 0.855 275 P HA 0.113 nan 4.420 nan 0.000 0.272 275 P C -0.997 176.209 177.300 -0.157 0.000 1.230 275 P CA 0.004 63.028 63.100 -0.126 0.000 0.788 275 P CB 0.124 31.711 31.700 -0.188 0.000 0.949 276 Y N -1.033 119.111 120.300 -0.260 0.000 2.509 276 Y HA 0.759 5.308 4.550 -0.001 0.000 0.341 276 Y C -1.212 174.490 175.900 -0.329 0.000 1.038 276 Y CA -1.539 56.309 58.100 -0.419 0.000 1.089 276 Y CB 1.036 38.989 38.460 -0.845 0.000 1.241 276 Y HN 0.023 nan 8.280 nan 0.000 0.468 277 V N 4.536 124.347 119.914 -0.173 0.000 2.407 277 V HA 0.282 4.402 4.120 -0.001 0.000 0.291 277 V C -0.150 175.961 176.094 0.028 0.000 1.018 277 V CA -0.995 61.190 62.300 -0.192 0.000 0.842 277 V CB 1.322 33.046 31.823 -0.164 0.000 0.996 277 V HN 0.787 nan 8.190 nan 0.000 0.426 278 L N 5.911 127.074 121.223 -0.101 0.000 2.462 278 L HA 0.415 4.754 4.340 -0.001 0.000 0.272 278 L C 0.512 177.103 176.870 -0.465 0.000 1.166 278 L CA 0.242 54.941 54.840 -0.233 0.000 0.880 278 L CB 0.247 41.839 42.059 -0.779 0.000 1.142 278 L HN 0.654 nan 8.230 nan 0.000 0.473 279 R N 3.271 123.748 120.500 -0.038 0.000 2.854 279 R HA 0.639 4.979 4.340 -0.001 0.000 0.271 279 R C -1.180 175.298 176.300 0.297 0.000 0.996 279 R CA -1.120 54.980 56.100 0.000 0.000 0.961 279 R CB 2.112 32.182 30.300 -0.382 0.000 1.182 279 R HN 0.316 nan 8.270 nan 0.000 0.479 280 L N 2.065 123.458 121.223 0.284 0.000 2.280 280 L HA 0.399 4.738 4.340 -0.001 0.000 0.287 280 L C -1.537 175.404 176.870 0.118 0.000 1.023 280 L CA -0.270 54.694 54.840 0.207 0.000 0.819 280 L CB 0.458 42.551 42.059 0.056 0.000 1.212 280 L HN 0.441 nan 8.230 nan 0.000 0.420 281 Y N 3.137 123.655 120.300 0.363 0.000 2.361 281 Y HA 0.767 5.316 4.550 -0.001 0.000 0.332 281 Y C 0.611 176.697 175.900 0.309 0.000 1.101 281 Y CA -0.329 57.948 58.100 0.295 0.000 1.137 281 Y CB 1.900 40.483 38.460 0.205 0.000 1.207 281 Y HN 0.707 nan 8.280 nan 0.000 0.463 282 S N 0.152 116.085 115.700 0.388 0.000 2.656 282 S HA 0.376 4.845 4.470 -0.001 0.000 0.273 282 S C -1.743 172.963 174.600 0.176 0.000 1.168 282 S CA -1.070 57.261 58.200 0.218 0.000 0.817 282 S CB 1.844 65.148 63.200 0.173 0.000 1.146 282 S HN 0.761 nan 8.310 nan 0.000 0.475 283 H N 0.085 119.177 119.070 0.035 0.000 2.467 283 H HA 0.423 4.978 4.556 -0.001 0.000 0.331 283 H C 0.841 176.180 175.328 0.018 0.000 1.120 283 H CA -0.095 55.965 56.048 0.020 0.000 1.270 283 H CB 1.924 31.672 29.762 -0.023 0.000 1.466 283 H HN 0.507 nan 8.280 nan 0.000 0.504 284 V N 4.258 124.098 119.914 -0.124 0.000 3.078 284 V HA -0.128 3.992 4.120 -0.001 0.000 0.265 284 V C 1.018 177.164 176.094 0.087 0.000 1.122 284 V CA 1.512 63.809 62.300 -0.005 0.000 1.141 284 V CB -0.469 31.311 31.823 -0.072 0.000 0.735 284 V HN 0.781 nan 8.190 nan 0.000 0.498 289 R N 1.344 121.782 120.500 -0.104 0.000 2.478 289 R HA 0.059 4.398 4.340 -0.001 0.000 0.277 289 R C 0.566 176.890 176.300 0.039 0.000 0.913 289 R CA 0.878 56.930 56.100 -0.080 0.000 1.125 289 R CB 0.264 30.446 30.300 -0.196 0.000 0.863 289 R HN 0.481 nan 8.270 nan 0.000 0.426 290 D N 2.317 122.758 120.400 0.068 0.000 2.117 290 D HA -0.175 4.465 4.640 -0.001 0.000 0.197 290 D C 1.798 178.171 176.300 0.122 0.000 0.987 290 D CA 1.955 56.046 54.000 0.151 0.000 0.829 290 D CB -0.100 40.825 40.800 0.208 0.000 0.961 290 D HN 0.672 nan 8.370 nan 0.000 0.460 291 A N 0.308 123.065 122.820 -0.105 0.000 1.892 291 A HA -0.278 4.041 4.320 -0.001 0.000 0.218 291 A C 1.944 179.677 177.584 0.248 0.000 1.188 291 A CA 1.714 53.489 52.037 -0.436 0.000 0.631 291 A CB -0.965 17.772 19.000 -0.440 0.000 0.822 291 A HN 0.434 nan 8.150 nan 0.000 0.447 292 H N -1.176 117.982 119.070 0.147 0.000 2.357 292 H HA -0.009 4.546 4.556 -0.002 0.000 0.301 292 H C 2.585 178.047 175.328 0.223 0.000 1.082 292 H CA 0.903 57.127 56.048 0.293 0.000 1.342 292 H CB -0.032 29.807 29.762 0.129 0.000 1.389 292 H HN 0.575 nan 8.280 nan 0.000 0.511 293 A N 0.945 123.922 122.820 0.263 0.000 1.933 293 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 293 A C 2.175 179.845 177.584 0.143 0.000 1.175 293 A CA 1.383 53.513 52.037 0.155 0.000 0.628 293 A CB -0.973 18.117 19.000 0.149 0.000 0.814 293 A HN 0.623 nan 8.150 nan 0.000 0.444 294 W N -0.108 121.206 121.300 0.024 0.000 2.378 294 W HA -0.168 4.494 4.660 0.003 0.000 0.313 294 W C 2.021 178.479 176.519 -0.102 0.000 1.197 294 W CA 2.175 59.532 57.345 0.019 0.000 1.304 294 W CB -0.315 29.236 29.460 0.151 0.000 1.148 294 W HN 0.335 nan 8.180 nan 0.000 0.494 295 M N 0.797 120.263 119.600 -0.224 0.000 2.080 295 M HA -0.194 4.285 4.480 -0.001 0.000 0.260 295 M C 1.964 177.894 176.300 -0.616 0.000 1.068 295 M CA 1.960 56.859 55.300 -0.668 0.000 1.109 295 M CB -1.061 31.139 32.600 -0.666 0.000 1.342 295 M HN 0.170 nan 8.290 nan 0.000 0.405 296 I N -0.425 119.900 120.570 -0.409 0.000 2.194 296 I HA -0.278 3.891 4.170 -0.001 0.000 0.246 296 I C 2.353 178.249 176.117 -0.368 0.000 1.093 296 I CA 1.618 62.673 61.300 -0.410 0.000 1.355 296 I CB -1.149 36.624 38.000 -0.378 0.000 1.046 296 I HN 0.514 nan 8.210 nan 0.000 0.413 297 G N -0.360 108.240 108.800 -0.332 0.000 2.408 297 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.217 297 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.217 297 G C 1.540 176.218 174.900 -0.369 0.000 1.150 297 G CA 0.250 45.176 45.100 -0.290 0.000 0.776 297 G HN 0.280 nan 8.290 nan 0.000 0.542 298 Q N 0.185 119.631 119.800 -0.589 0.000 2.181 298 Q HA 0.012 4.351 4.340 -0.001 0.000 0.205 298 Q C 1.534 177.280 176.000 -0.423 0.000 0.980 298 Q CA 0.480 55.941 55.803 -0.570 0.000 0.862 298 Q CB -0.483 27.752 28.738 -0.838 0.000 0.905 298 Q HN 0.427 nan 8.270 nan 0.000 0.429 299 L N 1.865 122.829 121.223 -0.431 0.000 2.382 299 L HA 0.189 4.529 4.340 -0.001 0.000 0.259 299 L C 0.690 177.467 176.870 -0.155 0.000 1.291 299 L CA 0.322 54.961 54.840 -0.334 0.000 1.176 299 L CB -0.348 41.452 42.059 -0.432 0.000 1.373 299 L HN 0.105 nan 8.230 nan 0.000 0.426 300 K N 1.835 122.161 120.400 -0.123 0.000 3.258 300 K HA 0.177 4.497 4.320 -0.001 0.000 0.166 300 K C -0.647 175.912 176.600 -0.069 0.000 1.376 300 K CA -0.134 56.119 56.287 -0.056 0.000 0.690 300 K CB 0.415 32.876 32.500 -0.064 0.000 1.095 300 K HN 0.538 nan 8.250 nan 0.000 0.437 301 G N 2.208 110.967 108.800 -0.068 0.000 2.575 301 G HA2 0.340 4.300 3.960 -0.001 0.000 0.279 301 G HA3 0.340 4.300 3.960 -0.001 0.000 0.279 301 G C -0.941 173.934 174.900 -0.041 0.000 1.460 301 G CA -0.501 44.560 45.100 -0.065 0.000 1.214 301 G HN 0.167 nan 8.290 nan 0.000 0.582 302 L N 1.490 122.708 121.223 -0.009 0.000 2.540 302 L HA 0.695 5.035 4.340 -0.001 0.000 0.215 302 L C 0.265 177.127 176.870 -0.013 0.000 1.204 302 L CA -0.253 54.600 54.840 0.022 0.000 0.841 302 L CB 1.384 43.467 42.059 0.040 0.000 1.420 302 L HN 0.742 nan 8.230 nan 0.000 0.519 303 D N 0.000 120.396 120.400 -0.006 0.000 6.856 303 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 303 D CA 0.000 53.988 54.000 -0.019 0.000 0.868 303 D CB 0.000 40.763 40.800 -0.062 0.000 0.688 303 D HN 0.000 nan 8.370 nan 0.000 0.683