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 1d1y_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.271 176.600 -0.548 0.000 0.988 69 K CA 0.000 56.009 56.287 -0.464 0.000 0.838 69 K CB 0.000 32.056 32.500 -0.740 0.000 1.064 70 F N 5.386 125.361 119.950 0.041 0.000 2.361 70 F HA 0.394 4.922 4.527 0.002 0.000 0.364 70 F C -2.036 173.856 175.800 0.153 0.000 1.120 70 F CA -2.053 55.995 58.000 0.080 0.000 1.102 70 F CB 1.048 40.100 39.000 0.086 0.000 1.183 70 F HN -0.033 nan 8.300 nan 0.000 0.476 71 P HA 0.021 nan 4.420 nan 0.000 0.267 71 P C -0.574 176.762 177.300 0.060 0.000 1.205 71 P CA -0.307 62.872 63.100 0.131 0.000 0.765 71 P CB 0.958 32.712 31.700 0.089 0.000 0.828 72 R N 2.524 122.991 120.500 -0.056 0.000 2.298 72 R HA 0.362 4.703 4.340 0.002 0.000 0.310 72 R C -0.789 175.390 176.300 -0.202 0.000 1.068 72 R CA -0.461 55.422 56.100 -0.362 0.000 0.957 72 R CB 0.452 30.573 30.300 -0.297 0.000 1.003 72 R HN 0.286 nan 8.270 nan 0.000 0.454 73 V N 5.271 125.043 119.914 -0.236 0.000 2.448 73 V HA 0.355 4.476 4.120 0.002 0.000 0.295 73 V C -0.212 175.802 176.094 -0.133 0.000 1.025 73 V CA -0.679 61.562 62.300 -0.099 0.000 0.859 73 V CB 1.501 33.306 31.823 -0.031 0.000 0.988 73 V HN 0.718 nan 8.190 nan 0.000 0.431 74 K N 3.826 124.169 120.400 -0.095 0.000 2.318 74 K HA 0.466 4.787 4.320 0.002 0.000 0.249 74 K C -0.853 175.673 176.600 -0.123 0.000 0.942 74 K CA -0.748 55.416 56.287 -0.206 0.000 0.808 74 K CB 1.777 34.013 32.500 -0.441 0.000 1.189 74 K HN 0.714 nan 8.250 nan 0.000 0.428 75 N N 3.545 122.151 118.700 -0.157 0.000 2.417 75 N HA 0.129 4.870 4.740 0.002 0.000 0.274 75 N C -0.553 174.907 175.510 -0.084 0.000 0.987 75 N CA -0.417 52.642 53.050 0.016 0.000 0.912 75 N CB 0.560 39.077 38.487 0.051 0.000 1.177 75 N HN 0.658 nan 8.380 nan 0.000 0.490 76 W N 2.037 123.409 121.300 0.120 0.000 3.180 76 W HA 0.215 4.876 4.660 0.002 0.000 0.254 76 W C 1.834 178.399 176.519 0.077 0.000 1.318 76 W CA -0.265 57.143 57.345 0.105 0.000 1.608 76 W CB 0.298 29.841 29.460 0.139 0.000 1.124 76 W HN 0.671 nan 8.180 nan 0.000 0.694 77 E N -0.006 120.315 120.200 0.201 0.000 2.307 77 E HA 0.010 4.361 4.350 0.002 0.000 0.195 77 E C 1.526 178.148 176.600 0.038 0.000 0.975 77 E CA 0.719 57.160 56.400 0.069 0.000 0.878 77 E CB 0.130 29.849 29.700 0.033 0.000 0.845 77 E HN 0.278 nan 8.360 nan 0.000 0.488 78 L N -1.516 119.723 121.223 0.027 0.000 2.781 78 L HA 0.423 4.764 4.340 0.002 0.000 0.245 78 L C 1.484 178.329 176.870 -0.042 0.000 1.118 78 L CA 0.363 55.201 54.840 -0.003 0.000 0.918 78 L CB 1.018 43.080 42.059 0.005 0.000 1.246 78 L HN 0.312 nan 8.230 nan 0.000 0.526 79 G N 0.815 109.560 108.800 -0.093 0.000 2.234 79 G HA2 -0.346 3.615 3.960 0.002 0.000 0.260 79 G HA3 -0.346 3.615 3.960 0.002 0.000 0.260 79 G C 0.532 175.334 174.900 -0.162 0.000 0.987 79 G CA 0.477 45.479 45.100 -0.163 0.000 0.625 79 G HN 0.477 nan 8.290 nan 0.000 0.532 80 S N -0.161 115.474 115.700 -0.109 0.000 2.569 80 S HA 0.578 5.049 4.470 0.002 0.000 0.274 80 S C 0.203 174.725 174.600 -0.130 0.000 1.353 80 S CA 0.313 58.459 58.200 -0.090 0.000 1.023 80 S CB 1.394 64.563 63.200 -0.051 0.000 0.876 80 S HN 0.844 nan 8.310 nan 0.000 0.540 81 I N 1.171 121.674 120.570 -0.112 0.000 2.722 81 I HA 0.477 4.648 4.170 0.002 0.000 0.295 81 I C -0.240 175.798 176.117 -0.132 0.000 1.161 81 I CA -0.517 60.688 61.300 -0.159 0.000 1.032 81 I CB 2.714 40.600 38.000 -0.190 0.000 1.244 81 I HN 1.023 nan 8.210 nan 0.000 0.421 82 T N 0.979 115.420 114.554 -0.187 0.000 2.865 82 T HA 0.637 4.988 4.350 0.002 0.000 0.294 82 T C -1.413 173.135 174.700 -0.253 0.000 1.119 82 T CA -0.742 61.291 62.100 -0.112 0.000 1.007 82 T CB 1.784 70.631 68.868 -0.036 0.000 1.225 82 T HN 0.283 nan 8.240 nan 0.000 0.515 83 Y N 0.402 120.700 120.300 -0.002 0.000 2.341 83 Y HA 0.442 4.993 4.550 0.002 0.000 0.338 83 Y C 0.080 175.989 175.900 0.015 0.000 0.965 83 Y CA -0.918 57.193 58.100 0.019 0.000 1.108 83 Y CB 1.668 40.129 38.460 0.002 0.000 1.180 83 Y HN 0.714 nan 8.280 nan 0.000 0.458 84 D N 2.336 122.839 120.400 0.172 0.000 2.339 84 D HA 0.071 4.712 4.640 0.002 0.000 0.241 84 D C 0.635 177.028 176.300 0.155 0.000 1.183 84 D CA 0.200 54.282 54.000 0.137 0.000 0.859 84 D CB 1.185 42.075 40.800 0.150 0.000 1.067 84 D HN 0.797 nan 8.370 nan 0.000 0.484 85 T N 1.006 115.587 114.554 0.045 0.000 3.023 85 T HA -0.024 4.327 4.350 0.002 0.000 0.253 85 T C 1.708 176.410 174.700 0.004 0.000 1.038 85 T CA -0.303 61.784 62.100 -0.022 0.000 0.962 85 T CB 0.169 68.831 68.868 -0.344 0.000 1.018 85 T HN 0.241 nan 8.240 nan 0.000 0.521 86 L N 2.359 123.582 121.223 0.001 0.000 2.156 86 L HA 0.125 4.466 4.340 0.002 0.000 0.208 86 L C 2.596 179.370 176.870 -0.159 0.000 1.095 86 L CA 1.103 55.945 54.840 0.004 0.000 0.770 86 L CB -0.908 41.220 42.059 0.115 0.000 0.914 86 L HN 0.652 nan 8.230 nan 0.000 0.439 87 C N -1.445 117.558 119.300 -0.495 0.000 2.419 87 C HA 0.035 4.496 4.460 0.002 0.000 0.283 87 C C 2.797 177.536 174.990 -0.418 0.000 1.373 87 C CA 0.184 58.530 59.018 -1.120 0.000 1.781 87 C CB -2.174 24.922 27.740 -1.073 0.000 1.886 87 C HN 0.570 nan 8.230 nan 0.000 0.520 88 A N 0.342 123.083 122.820 -0.131 0.000 2.019 88 A HA -0.133 4.188 4.320 0.002 0.000 0.219 88 A C 2.251 179.823 177.584 -0.019 0.000 1.164 88 A CA 1.563 53.597 52.037 -0.004 0.000 0.644 88 A CB -0.494 18.617 19.000 0.186 0.000 0.805 88 A HN 0.720 nan 8.150 nan 0.000 0.449 89 Q N 0.213 119.997 119.800 -0.027 0.000 2.482 89 Q HA 0.059 4.400 4.340 0.002 0.000 0.209 89 Q C 0.575 176.590 176.000 0.025 0.000 0.961 89 Q CA 0.274 56.085 55.803 0.014 0.000 0.945 89 Q CB -0.350 28.411 28.738 0.037 0.000 1.012 89 Q HN 0.493 nan 8.270 nan 0.000 0.515 90 S N 1.165 116.860 115.700 -0.008 0.000 2.488 90 S HA 0.046 4.517 4.470 0.002 0.000 0.278 90 S C 0.816 175.435 174.600 0.031 0.000 1.259 90 S CA -0.112 58.112 58.200 0.040 0.000 1.061 90 S CB 0.444 63.665 63.200 0.035 0.000 0.910 90 S HN 0.110 nan 8.310 nan 0.000 0.491 91 Q N 2.290 122.117 119.800 0.045 0.000 2.217 91 Q HA 0.239 4.580 4.340 0.002 0.000 0.217 91 Q C -0.109 175.911 176.000 0.034 0.000 0.844 91 Q CA 0.051 55.875 55.803 0.035 0.000 0.957 91 Q CB 0.670 29.433 28.738 0.041 0.000 1.127 91 Q HN 0.747 nan 8.270 nan 0.000 0.503 92 Q N 0.658 120.483 119.800 0.042 0.000 2.345 92 Q HA 0.330 4.671 4.340 0.002 0.000 0.268 92 Q C -1.377 174.648 176.000 0.041 0.000 1.054 92 Q CA -0.340 55.485 55.803 0.036 0.000 0.835 92 Q CB 1.458 30.217 28.738 0.034 0.000 1.339 92 Q HN -0.189 nan 8.270 nan 0.000 0.447 93 D N 1.149 121.569 120.400 0.032 0.000 2.229 93 D HA 0.580 5.221 4.640 0.002 0.000 0.249 93 D C -0.182 176.139 176.300 0.036 0.000 1.027 93 D CA -0.081 53.938 54.000 0.033 0.000 0.923 93 D CB 1.631 42.444 40.800 0.023 0.000 1.174 93 D HN 0.674 nan 8.370 nan 0.000 0.443 94 G N 0.278 109.103 108.800 0.041 0.000 2.583 94 G HA2 0.378 4.339 3.960 0.002 0.000 0.280 94 G HA3 0.378 4.339 3.960 0.002 0.000 0.280 94 G C -1.607 173.312 174.900 0.032 0.000 1.376 94 G CA -0.604 44.519 45.100 0.039 0.000 1.043 94 G HN 0.346 nan 8.290 nan 0.000 0.538 95 P HA 0.151 nan 4.420 nan 0.000 0.239 95 P C 0.432 177.747 177.300 0.025 0.000 1.188 95 P CA -0.025 63.092 63.100 0.028 0.000 0.794 95 P CB 0.181 31.900 31.700 0.031 0.000 0.937 96 C N 1.367 120.684 119.300 0.029 0.000 2.689 96 C HA 0.467 4.928 4.460 0.002 0.000 0.409 96 C C 1.170 176.172 174.990 0.019 0.000 1.293 96 C CA 0.349 59.382 59.018 0.025 0.000 2.136 96 C CB 0.095 27.853 27.740 0.030 0.000 2.719 96 C HN 0.416 nan 8.230 nan 0.000 0.644 97 T N -1.084 113.478 114.554 0.013 0.000 2.843 97 T HA 0.419 4.770 4.350 0.002 0.000 0.302 97 T C -2.446 172.258 174.700 0.006 0.000 1.232 97 T CA -1.085 61.020 62.100 0.008 0.000 1.009 97 T CB 1.413 70.285 68.868 0.006 0.000 1.254 97 T HN 0.272 nan 8.240 nan 0.000 0.504 98 P HA 0.037 nan 4.420 nan 0.000 0.222 98 P C 1.500 178.800 177.300 -0.000 0.000 1.147 98 P CA 0.504 63.604 63.100 -0.000 0.000 0.790 98 P CB 0.155 31.853 31.700 -0.003 0.000 0.780 99 R N 0.130 120.631 120.500 0.001 0.000 2.062 99 R HA -0.057 4.284 4.340 0.002 0.000 0.229 99 R C 0.661 176.962 176.300 0.001 0.000 1.128 99 R CA 1.055 57.155 56.100 0.000 0.000 0.960 99 R CB 0.149 30.450 30.300 0.001 0.000 0.855 99 R HN 0.075 nan 8.270 nan 0.000 0.432 100 R N -0.144 120.358 120.500 0.003 0.000 2.643 100 R HA 0.165 4.506 4.340 0.002 0.000 0.269 100 R C -1.766 174.539 176.300 0.007 0.000 1.037 100 R CA -0.694 55.408 56.100 0.003 0.000 0.894 100 R CB 0.339 30.641 30.300 0.004 0.000 1.238 100 R HN 0.130 nan 8.270 nan 0.000 0.459 101 C N 4.292 123.596 119.300 0.007 0.000 2.325 101 C HA 0.489 4.950 4.460 0.002 0.000 0.347 101 C C 1.039 176.041 174.990 0.019 0.000 1.263 101 C CA -0.631 58.394 59.018 0.013 0.000 1.806 101 C CB -1.024 26.721 27.740 0.007 0.000 2.405 101 C HN 0.775 nan 8.230 nan 0.000 0.537 102 L N 5.721 126.960 121.223 0.027 0.000 2.818 102 L HA 0.259 4.600 4.340 0.002 0.000 0.243 102 L C 2.201 179.100 176.870 0.049 0.000 1.185 102 L CA 0.354 55.214 54.840 0.034 0.000 0.988 102 L CB -0.285 41.792 42.059 0.030 0.000 1.292 102 L HN 1.019 nan 8.230 nan 0.000 0.519 103 G N 0.566 109.397 108.800 0.052 0.000 2.485 103 G HA2 -0.308 3.653 3.960 0.002 0.000 0.221 103 G HA3 -0.308 3.653 3.960 0.002 0.000 0.221 103 G C 1.624 176.589 174.900 0.110 0.000 1.115 103 G CA 1.217 46.360 45.100 0.071 0.000 0.751 103 G HN 0.514 nan 8.290 nan 0.000 0.567 104 S N -0.608 115.157 115.700 0.109 0.000 2.603 104 S HA 0.308 4.779 4.470 0.002 0.000 0.220 104 S C 0.647 175.343 174.600 0.159 0.000 0.967 104 S CA -0.421 57.868 58.200 0.149 0.000 0.920 104 S CB -0.096 63.170 63.200 0.110 0.000 0.773 104 S HN -0.019 nan 8.310 nan 0.000 0.529 105 L N 1.985 123.282 121.223 0.124 0.000 2.380 105 L HA 0.294 4.635 4.340 0.002 0.000 0.273 105 L C 1.386 178.351 176.870 0.158 0.000 1.138 105 L CA 0.127 55.034 54.840 0.112 0.000 0.832 105 L CB 0.948 43.048 42.059 0.068 0.000 1.124 105 L HN -0.006 nan 8.230 nan 0.000 0.454 106 V N 3.312 123.329 119.914 0.172 0.000 2.255 106 V HA -0.068 4.053 4.120 0.002 0.000 0.243 106 V C 0.827 176.972 176.094 0.086 0.000 1.038 106 V CA 1.097 63.536 62.300 0.233 0.000 1.008 106 V CB -0.257 31.701 31.823 0.225 0.000 0.645 106 V HN 0.478 nan 8.190 nan 0.000 0.449 107 L N 0.037 121.249 121.223 -0.019 0.000 2.334 107 L HA 0.470 4.812 4.340 0.002 0.000 0.272 107 L C -2.473 174.399 176.870 0.004 0.000 1.020 107 L CA -1.791 52.996 54.840 -0.090 0.000 0.812 107 L CB 0.796 42.737 42.059 -0.197 0.000 1.264 107 L HN 0.086 nan 8.230 nan 0.000 0.439 108 P HA 0.262 nan 4.420 nan 0.000 0.279 108 P C -0.128 177.180 177.300 0.015 0.000 1.239 108 P CA -0.611 62.514 63.100 0.042 0.000 0.789 108 P CB 1.173 32.914 31.700 0.068 0.000 0.933 109 R N 2.644 123.151 120.500 0.012 0.000 2.119 109 R HA -0.047 4.294 4.340 0.002 0.000 0.222 109 R C 1.465 177.766 176.300 0.002 0.000 1.088 109 R CA 1.706 57.807 56.100 0.002 0.000 0.984 109 R CB 0.008 30.310 30.300 0.004 0.000 0.884 109 R HN 0.205 nan 8.270 nan 0.000 0.447 110 K N -1.762 118.643 120.400 0.009 0.000 2.548 110 K HA 0.194 4.515 4.320 0.002 0.000 0.209 110 K C 0.415 177.023 176.600 0.013 0.000 1.420 110 K CA 0.188 56.480 56.287 0.007 0.000 0.985 110 K CB 0.217 32.721 32.500 0.006 0.000 1.249 110 K HN 0.045 nan 8.250 nan 0.000 0.557 111 L N 2.649 123.885 121.223 0.022 0.000 2.885 111 L HA 0.097 4.438 4.340 0.002 0.000 0.258 111 L C 0.843 177.734 176.870 0.035 0.000 1.146 111 L CA 0.764 55.620 54.840 0.028 0.000 0.922 111 L CB -1.580 40.500 42.059 0.035 0.000 1.138 111 L HN 0.277 nan 8.230 nan 0.000 0.431 112 Q N -0.219 119.597 119.800 0.027 0.000 2.677 112 Q HA 0.106 4.447 4.340 0.002 0.000 0.187 112 Q C 0.211 176.223 176.000 0.019 0.000 1.146 112 Q CA 0.654 56.474 55.803 0.028 0.000 1.224 112 Q CB 0.470 29.212 28.738 0.006 0.000 1.268 112 Q HN 0.199 nan 8.270 nan 0.000 0.674 113 T N 2.026 116.588 114.554 0.013 0.000 3.427 113 T HA 0.341 4.692 4.350 0.002 0.000 0.306 113 T C -0.691 174.003 174.700 -0.009 0.000 1.733 113 T CA -0.558 61.544 62.100 0.003 0.000 1.599 113 T CB 0.138 69.012 68.868 0.010 0.000 0.964 113 T HN 0.312 nan 8.240 nan 0.000 0.701 114 R N 2.395 122.888 120.500 -0.012 0.000 2.655 114 R HA 0.015 4.356 4.340 0.002 0.000 0.266 114 R C -2.123 174.165 176.300 -0.019 0.000 0.981 114 R CA -0.769 55.321 56.100 -0.017 0.000 1.098 114 R CB -0.337 29.955 30.300 -0.013 0.000 0.928 114 R HN 0.302 nan 8.270 nan 0.000 0.425 115 P HA -0.103 nan 4.420 nan 0.000 0.271 115 P C -0.119 177.171 177.300 -0.017 0.000 1.212 115 P CA 0.518 63.607 63.100 -0.019 0.000 0.788 115 P CB 0.436 32.126 31.700 -0.017 0.000 0.865 116 S N 1.186 116.876 115.700 -0.016 0.000 2.422 116 S HA 0.285 4.756 4.470 0.002 0.000 0.226 116 S C -1.622 172.972 174.600 -0.011 0.000 1.242 116 S CA -1.201 56.988 58.200 -0.017 0.000 1.231 116 S CB -0.259 62.924 63.200 -0.028 0.000 1.067 116 S HN 0.300 nan 8.310 nan 0.000 0.462 117 P HA 0.235 nan 4.420 nan 0.000 0.235 117 P C 0.797 178.097 177.300 -0.000 0.000 1.177 117 P CA 0.419 63.518 63.100 -0.002 0.000 0.785 117 P CB 0.115 31.814 31.700 -0.001 0.000 0.885 118 G N 1.009 109.807 108.800 -0.002 0.000 2.600 118 G HA2 0.562 4.523 3.960 0.002 0.000 0.303 118 G HA3 0.562 4.523 3.960 0.002 0.000 0.303 118 G C -2.976 171.923 174.900 -0.002 0.000 1.253 118 G CA -1.706 43.394 45.100 0.000 0.000 0.974 118 G HN -0.139 nan 8.290 nan 0.000 0.483 119 P HA 0.317 nan 4.420 nan 0.000 0.280 119 P C -2.640 174.662 177.300 0.003 0.000 1.244 119 P CA -1.100 62.001 63.100 0.003 0.000 0.784 119 P CB 0.974 32.681 31.700 0.011 0.000 0.913 120 P HA 0.235 nan 4.420 nan 0.000 0.271 120 P C -2.324 174.984 177.300 0.014 0.000 1.216 120 P CA -1.122 61.981 63.100 0.004 0.000 0.776 120 P CB -1.137 30.564 31.700 0.002 0.000 0.881 121 P HA -0.079 nan 4.420 nan 0.000 0.253 121 P C 0.763 178.077 177.300 0.022 0.000 1.170 121 P CA 0.574 63.683 63.100 0.016 0.000 0.806 121 P CB 0.034 31.742 31.700 0.013 0.000 0.775 122 A N 5.251 128.086 122.820 0.024 0.000 1.915 122 A HA -0.299 4.022 4.320 0.002 0.000 0.220 122 A C 2.084 179.684 177.584 0.025 0.000 1.198 122 A CA 1.705 53.760 52.037 0.029 0.000 0.647 122 A CB -0.741 18.274 19.000 0.026 0.000 0.825 122 A HN 0.447 nan 8.150 nan 0.000 0.456 123 E N -0.662 119.550 120.200 0.019 0.000 2.070 123 E HA -0.272 4.079 4.350 0.002 0.000 0.197 123 E C 2.138 178.750 176.600 0.020 0.000 1.004 123 E CA 1.713 58.122 56.400 0.016 0.000 0.805 123 E CB -0.511 29.196 29.700 0.013 0.000 0.744 123 E HN 0.882 nan 8.360 nan 0.000 0.451 124 Q N 0.073 119.887 119.800 0.023 0.000 1.994 124 Q HA -0.122 4.220 4.340 0.002 0.000 0.198 124 Q C 2.367 178.391 176.000 0.039 0.000 0.976 124 Q CA 0.964 56.783 55.803 0.028 0.000 0.828 124 Q CB -0.172 28.580 28.738 0.024 0.000 0.894 124 Q HN 0.192 nan 8.270 nan 0.000 0.432 125 L N 0.891 122.142 121.223 0.045 0.000 2.051 125 L HA -0.219 4.122 4.340 0.002 0.000 0.214 125 L C 2.154 179.070 176.870 0.076 0.000 1.076 125 L CA 1.663 56.546 54.840 0.072 0.000 0.758 125 L CB -0.867 41.242 42.059 0.083 0.000 0.890 125 L HN 0.404 nan 8.230 nan 0.000 0.433 126 L N -0.455 120.794 121.223 0.042 0.000 2.079 126 L HA -0.188 4.153 4.340 0.002 0.000 0.210 126 L C 2.726 179.604 176.870 0.013 0.000 1.081 126 L CA 2.184 57.027 54.840 0.005 0.000 0.752 126 L CB -0.932 41.126 42.059 -0.001 0.000 0.896 126 L HN 0.657 nan 8.230 nan 0.000 0.433 127 S N -2.039 113.680 115.700 0.032 0.000 2.406 127 S HA -0.185 4.286 4.470 0.002 0.000 0.228 127 S C 1.882 176.524 174.600 0.070 0.000 1.020 127 S CA 0.858 59.083 58.200 0.042 0.000 0.965 127 S CB -0.505 62.717 63.200 0.036 0.000 0.798 127 S HN 0.624 nan 8.310 nan 0.000 0.488 128 Q N 1.050 120.900 119.800 0.083 0.000 2.123 128 Q HA 0.130 4.471 4.340 0.002 0.000 0.199 128 Q C 2.557 178.664 176.000 0.177 0.000 0.966 128 Q CA 1.297 57.170 55.803 0.117 0.000 0.845 128 Q CB -0.465 28.334 28.738 0.101 0.000 0.907 128 Q HN 0.759 nan 8.270 nan 0.000 0.439 129 A N 1.158 124.068 122.820 0.150 0.000 1.873 129 A HA -0.185 4.136 4.320 0.002 0.000 0.215 129 A C 1.970 179.633 177.584 0.132 0.000 1.186 129 A CA 1.219 53.344 52.037 0.145 0.000 0.616 129 A CB -0.369 18.523 19.000 -0.180 0.000 0.823 129 A HN 0.197 nan 8.150 nan 0.000 0.442 130 R N -0.435 120.104 120.500 0.065 0.000 2.083 130 R HA -0.195 4.146 4.340 0.002 0.000 0.237 130 R C 2.074 178.451 176.300 0.128 0.000 1.137 130 R CA 1.796 57.940 56.100 0.074 0.000 0.951 130 R CB -0.544 29.781 30.300 0.041 0.000 0.851 130 R HN 0.714 nan 8.270 nan 0.000 0.434 131 D N 0.098 120.581 120.400 0.137 0.000 2.117 131 D HA -0.214 4.427 4.640 0.002 0.000 0.197 131 D C 1.673 178.089 176.300 0.193 0.000 0.987 131 D CA 1.052 55.141 54.000 0.148 0.000 0.829 131 D CB -0.099 40.785 40.800 0.140 0.000 0.961 131 D HN 0.165 nan 8.370 nan 0.000 0.460 132 F N 0.820 120.852 119.950 0.137 0.000 2.146 132 F HA -0.062 4.466 4.527 0.002 0.000 0.298 132 F C 1.934 177.858 175.800 0.207 0.000 1.096 132 F CA 1.017 59.129 58.000 0.186 0.000 1.275 132 F CB -0.212 38.906 39.000 0.196 0.000 1.008 132 F HN -0.016 nan 8.300 nan 0.000 0.480 133 I N 0.917 121.504 120.570 0.028 0.000 2.286 133 I HA -0.295 3.876 4.170 0.002 0.000 0.248 133 I C 2.027 178.129 176.117 -0.026 0.000 1.115 133 I CA 1.121 62.414 61.300 -0.012 0.000 1.392 133 I CB -1.618 36.493 38.000 0.186 0.000 1.065 133 I HN 0.259 nan 8.210 nan 0.000 0.418 134 N N 0.929 119.660 118.700 0.052 0.000 2.120 134 N HA -0.194 4.547 4.740 0.002 0.000 0.188 134 N C 1.845 177.277 175.510 -0.130 0.000 1.024 134 N CA 1.149 54.220 53.050 0.034 0.000 0.852 134 N CB -0.286 38.278 38.487 0.128 0.000 1.003 134 N HN 0.510 nan 8.380 nan 0.000 0.424 135 Q N -0.326 119.408 119.800 -0.111 0.000 2.061 135 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 135 Q C 1.888 177.608 176.000 -0.467 0.000 0.984 135 Q CA 1.409 57.140 55.803 -0.120 0.000 0.846 135 Q CB -0.280 28.528 28.738 0.116 0.000 0.902 135 Q HN 0.453 nan 8.270 nan 0.000 0.421 136 Y N -0.143 119.651 120.300 -0.844 0.000 2.181 136 Y HA -0.282 4.269 4.550 0.002 0.000 0.288 136 Y C 1.639 176.947 175.900 -0.987 0.000 1.146 136 Y CA 1.585 58.930 58.100 -1.258 0.000 1.164 136 Y CB -0.423 37.397 38.460 -1.066 0.000 0.982 136 Y HN 0.105 nan 8.280 nan 0.000 0.515 137 Y N -1.119 118.696 120.300 -0.808 0.000 2.373 137 Y HA -0.143 4.408 4.550 0.002 0.000 0.293 137 Y C 2.978 178.525 175.900 -0.589 0.000 1.129 137 Y CA 1.523 59.152 58.100 -0.785 0.000 1.226 137 Y CB -0.430 37.473 38.460 -0.929 0.000 1.000 137 Y HN 0.185 nan 8.280 nan 0.000 0.549 138 S N -0.730 114.739 115.700 -0.386 0.000 2.406 138 S HA -0.172 4.299 4.470 0.002 0.000 0.228 138 S C 2.349 176.777 174.600 -0.288 0.000 1.020 138 S CA 1.222 59.279 58.200 -0.238 0.000 0.965 138 S CB -0.562 62.552 63.200 -0.144 0.000 0.798 138 S HN 0.574 nan 8.310 nan 0.000 0.488 139 S N 2.039 117.458 115.700 -0.469 0.000 2.399 139 S HA -0.070 4.401 4.470 0.002 0.000 0.231 139 S C 1.525 175.896 174.600 -0.381 0.000 1.022 139 S CA 1.141 59.097 58.200 -0.407 0.000 0.983 139 S CB -0.912 61.886 63.200 -0.670 0.000 0.803 139 S HN 0.776 nan 8.310 nan 0.000 0.480 140 I N -2.262 117.982 120.570 -0.542 0.000 3.884 140 I HA 0.443 4.614 4.170 0.002 0.000 0.330 140 I C 0.061 176.036 176.117 -0.236 0.000 1.451 140 I CA -0.695 60.366 61.300 -0.399 0.000 1.165 140 I CB -0.608 37.063 38.000 -0.548 0.000 1.097 140 I HN 0.005 nan 8.210 nan 0.000 0.404 141 K N 1.461 121.748 120.400 -0.189 0.000 2.975 141 K HA -0.172 4.149 4.320 0.002 0.000 0.257 141 K C 0.042 176.605 176.600 -0.062 0.000 1.005 141 K CA 0.527 56.751 56.287 -0.104 0.000 0.738 141 K CB -1.010 31.445 32.500 -0.075 0.000 1.236 141 K HN 0.494 nan 8.250 nan 0.000 0.483 142 R N 0.119 120.591 120.500 -0.047 0.000 2.748 142 R HA 0.107 4.449 4.340 0.002 0.000 0.395 142 R C 0.011 176.366 176.300 0.093 0.000 1.128 142 R CA -0.203 55.924 56.100 0.046 0.000 1.042 142 R CB 1.049 31.423 30.300 0.123 0.000 1.392 142 R HN 0.131 nan 8.270 nan 0.000 0.582 143 S N -0.525 115.207 115.700 0.053 0.000 2.568 143 S HA 0.284 4.755 4.470 0.002 0.000 0.282 143 S C 1.452 176.152 174.600 0.168 0.000 1.338 143 S CA 1.286 59.574 58.200 0.148 0.000 1.045 143 S CB 0.566 63.810 63.200 0.074 0.000 0.873 143 S HN 0.737 nan 8.310 nan 0.000 0.516 144 G N 2.731 111.688 108.800 0.261 0.000 2.238 144 G HA2 -0.345 3.616 3.960 0.002 0.000 0.270 144 G HA3 -0.345 3.616 3.960 0.002 0.000 0.270 144 G C 0.495 175.365 174.900 -0.049 0.000 0.977 144 G CA 1.043 46.133 45.100 -0.017 0.000 0.639 144 G HN 1.642 nan 8.290 nan 0.000 0.544 145 S N -0.862 114.834 115.700 -0.007 0.000 2.658 145 S HA 0.244 4.715 4.470 0.002 0.000 0.249 145 S C 1.422 175.973 174.600 -0.082 0.000 1.363 145 S CA 0.933 59.112 58.200 -0.034 0.000 0.964 145 S CB 0.629 63.826 63.200 -0.005 0.000 0.973 145 S HN 0.626 nan 8.310 nan 0.000 0.588 146 Q N 0.104 119.867 119.800 -0.062 0.000 2.049 146 Q HA -0.029 4.312 4.340 0.002 0.000 0.198 146 Q C 2.359 178.302 176.000 -0.095 0.000 0.971 146 Q CA 1.159 56.920 55.803 -0.069 0.000 0.833 146 Q CB -0.790 27.926 28.738 -0.036 0.000 0.896 146 Q HN 0.885 nan 8.270 nan 0.000 0.434 147 A N 0.562 123.333 122.820 -0.081 0.000 1.883 147 A HA -0.285 4.036 4.320 0.002 0.000 0.217 147 A C 1.908 179.288 177.584 -0.340 0.000 1.186 147 A CA 1.898 53.884 52.037 -0.086 0.000 0.624 147 A CB -1.275 17.773 19.000 0.081 0.000 0.822 147 A HN 0.735 nan 8.150 nan 0.000 0.444 148 H N -1.128 117.414 119.070 -0.880 0.000 2.352 148 H HA -0.160 4.397 4.556 0.002 0.000 0.299 148 H C 2.216 177.240 175.328 -0.506 0.000 1.097 148 H CA 1.567 56.861 56.048 -1.257 0.000 1.311 148 H CB 0.030 29.232 29.762 -0.933 0.000 1.377 148 H HN 0.653 nan 8.280 nan 0.000 0.504 149 E N 0.162 120.181 120.200 -0.302 0.000 2.072 149 E HA -0.147 4.204 4.350 0.002 0.000 0.191 149 E C 1.903 178.419 176.600 -0.140 0.000 0.985 149 E CA 1.091 57.338 56.400 -0.254 0.000 0.801 149 E CB 0.177 29.756 29.700 -0.203 0.000 0.750 149 E HN 0.661 nan 8.360 nan 0.000 0.452 150 E N -0.101 120.037 120.200 -0.102 0.000 2.358 150 E HA -0.148 4.203 4.350 0.002 0.000 0.195 150 E C 1.986 178.580 176.600 -0.011 0.000 1.010 150 E CA 0.280 56.653 56.400 -0.046 0.000 0.856 150 E CB 0.115 29.800 29.700 -0.026 0.000 0.795 150 E HN -0.040 nan 8.360 nan 0.000 0.504 151 R N 1.269 121.765 120.500 -0.006 0.000 2.100 151 R HA 0.018 4.359 4.340 0.002 0.000 0.220 151 R C 1.943 178.278 176.300 0.059 0.000 1.091 151 R CA 0.873 57.019 56.100 0.077 0.000 0.986 151 R CB -0.465 29.951 30.300 0.194 0.000 0.888 151 R HN 0.131 nan 8.270 nan 0.000 0.444 152 L N 0.503 121.739 121.223 0.023 0.000 2.046 152 L HA -0.173 4.168 4.340 0.002 0.000 0.208 152 L C 2.392 179.246 176.870 -0.027 0.000 1.077 152 L CA 1.641 56.480 54.840 -0.002 0.000 0.747 152 L CB -0.430 41.602 42.059 -0.045 0.000 0.896 152 L HN 0.302 nan 8.230 nan 0.000 0.432 153 Q N -0.378 119.405 119.800 -0.028 0.000 2.167 153 Q HA -0.199 4.142 4.340 0.002 0.000 0.202 153 Q C 2.007 178.004 176.000 -0.004 0.000 0.970 153 Q CA 1.145 56.934 55.803 -0.022 0.000 0.855 153 Q CB -0.085 28.638 28.738 -0.024 0.000 0.911 153 Q HN 0.556 nan 8.270 nan 0.000 0.438 154 E N 0.275 120.483 120.200 0.012 0.000 2.031 154 E HA -0.159 4.192 4.350 0.002 0.000 0.193 154 E C 2.140 178.758 176.600 0.029 0.000 0.994 154 E CA 1.485 57.906 56.400 0.036 0.000 0.800 154 E CB 0.048 29.786 29.700 0.064 0.000 0.752 154 E HN 0.149 nan 8.360 nan 0.000 0.447 155 V N 1.941 121.847 119.914 -0.013 0.000 2.407 155 V HA -0.226 3.895 4.120 0.002 0.000 0.248 155 V C 2.162 178.195 176.094 -0.101 0.000 1.055 155 V CA 1.622 63.850 62.300 -0.121 0.000 1.049 155 V CB -0.531 31.104 31.823 -0.313 0.000 0.662 155 V HN 0.212 nan 8.190 nan 0.000 0.455 156 E N 0.753 120.915 120.200 -0.063 0.000 2.051 156 E HA -0.222 4.129 4.350 0.002 0.000 0.192 156 E C 2.436 179.032 176.600 -0.007 0.000 0.991 156 E CA 1.539 57.916 56.400 -0.039 0.000 0.799 156 E CB -0.420 29.262 29.700 -0.029 0.000 0.748 156 E HN 0.581 nan 8.360 nan 0.000 0.449 157 A N 1.563 124.387 122.820 0.006 0.000 1.883 157 A HA -0.268 4.053 4.320 0.002 0.000 0.217 157 A C 2.109 179.720 177.584 0.045 0.000 1.186 157 A CA 1.933 53.984 52.037 0.024 0.000 0.624 157 A CB -0.564 18.452 19.000 0.026 0.000 0.822 157 A HN 0.277 nan 8.150 nan 0.000 0.444 158 E N -0.523 119.718 120.200 0.068 0.000 2.072 158 E HA -0.106 4.245 4.350 0.002 0.000 0.191 158 E C 1.940 178.609 176.600 0.115 0.000 0.985 158 E CA 1.232 57.700 56.400 0.113 0.000 0.801 158 E CB -0.091 29.721 29.700 0.186 0.000 0.750 158 E HN 0.323 nan 8.360 nan 0.000 0.452 159 V N 1.207 121.181 119.914 0.099 0.000 2.343 159 V HA -0.276 3.845 4.120 0.002 0.000 0.247 159 V C 2.402 178.533 176.094 0.062 0.000 1.051 159 V CA 1.828 64.184 62.300 0.094 0.000 1.036 159 V CB -0.747 31.110 31.823 0.057 0.000 0.654 159 V HN 0.413 nan 8.190 nan 0.000 0.451 160 A N -0.651 122.195 122.820 0.042 0.000 1.972 160 A HA -0.176 4.145 4.320 0.002 0.000 0.219 160 A C 2.411 180.017 177.584 0.037 0.000 1.169 160 A CA 2.271 54.328 52.037 0.032 0.000 0.635 160 A CB -0.407 18.606 19.000 0.021 0.000 0.810 160 A HN 0.533 nan 8.150 nan 0.000 0.446 161 S N -1.559 114.169 115.700 0.046 0.000 2.483 161 S HA -0.010 4.461 4.470 0.002 0.000 0.221 161 S C 1.820 176.452 174.600 0.052 0.000 1.030 161 S CA 1.275 59.502 58.200 0.045 0.000 0.925 161 S CB 0.108 63.335 63.200 0.045 0.000 0.795 161 S HN 0.876 nan 8.310 nan 0.000 0.511 162 T N -2.673 111.921 114.554 0.068 0.000 2.975 162 T HA 0.459 4.810 4.350 0.002 0.000 0.261 162 T C 1.352 176.091 174.700 0.065 0.000 0.984 162 T CA 0.765 62.908 62.100 0.071 0.000 0.911 162 T CB 0.530 69.457 68.868 0.099 0.000 1.127 162 T HN 0.504 nan 8.240 nan 0.000 0.514 163 G N 0.321 109.161 108.800 0.067 0.000 2.141 163 G HA2 -0.119 3.842 3.960 0.002 0.000 0.242 163 G HA3 -0.119 3.842 3.960 0.002 0.000 0.242 163 G C 0.118 175.058 174.900 0.066 0.000 0.982 163 G CA 0.514 45.648 45.100 0.057 0.000 0.662 163 G HN 1.068 nan 8.290 nan 0.000 0.527 164 T N -1.643 112.971 114.554 0.100 0.000 2.658 164 T HA 0.698 5.049 4.350 0.002 0.000 0.305 164 T C -1.205 173.628 174.700 0.222 0.000 1.551 164 T CA 0.476 62.636 62.100 0.099 0.000 0.985 164 T CB 1.239 70.082 68.868 -0.041 0.000 1.731 164 T HN 1.663 nan 8.240 nan 0.000 0.486 165 Y N -0.847 119.409 120.300 -0.073 0.000 2.871 165 Y HA 0.839 5.390 4.550 0.002 0.000 0.331 165 Y C -1.656 174.145 175.900 -0.165 0.000 1.378 165 Y CA -1.175 56.950 58.100 0.041 0.000 1.079 165 Y CB 0.765 39.267 38.460 0.070 0.000 1.441 165 Y HN 0.798 nan 8.280 nan 0.000 0.446 166 H N 0.248 119.346 119.070 0.047 0.000 2.865 166 H HA 0.703 5.260 4.556 0.002 0.000 0.372 166 H C -1.201 174.176 175.328 0.080 0.000 1.173 166 H CA -0.879 55.124 56.048 -0.075 0.000 1.147 166 H CB 2.010 31.778 29.762 0.011 0.000 1.805 166 H HN 0.735 nan 8.280 nan 0.000 0.553 167 L N 1.368 122.672 121.223 0.136 0.000 2.360 167 L HA 0.550 4.891 4.340 0.002 0.000 0.271 167 L C 0.266 177.212 176.870 0.127 0.000 1.057 167 L CA -0.807 54.137 54.840 0.173 0.000 0.803 167 L CB 1.041 43.170 42.059 0.117 0.000 1.207 167 L HN 0.371 nan 8.230 nan 0.000 0.445 168 R N 0.771 121.321 120.500 0.082 0.000 2.349 168 R HA 0.099 4.440 4.340 0.002 0.000 0.299 168 R C 0.776 177.063 176.300 -0.022 0.000 1.027 168 R CA -0.464 55.651 56.100 0.026 0.000 0.958 168 R CB 1.512 31.811 30.300 -0.001 0.000 1.047 168 R HN 0.655 nan 8.270 nan 0.000 0.468 169 E N 1.866 122.056 120.200 -0.017 0.000 2.132 169 E HA -0.363 3.988 4.350 0.002 0.000 0.218 169 E C 1.540 178.113 176.600 -0.046 0.000 1.058 169 E CA 2.884 59.263 56.400 -0.035 0.000 0.882 169 E CB 0.005 29.691 29.700 -0.023 0.000 0.774 169 E HN 0.690 nan 8.360 nan 0.000 0.467 170 S N -0.057 115.612 115.700 -0.052 0.000 2.370 170 S HA -0.258 4.213 4.470 0.002 0.000 0.226 170 S C 1.857 176.401 174.600 -0.093 0.000 1.033 170 S CA 1.536 59.714 58.200 -0.036 0.000 1.011 170 S CB -0.501 62.694 63.200 -0.008 0.000 0.852 170 S HN 0.447 nan 8.310 nan 0.000 0.457 171 E N 0.964 120.985 120.200 -0.298 0.000 2.077 171 E HA -0.088 4.263 4.350 0.002 0.000 0.193 171 E C 2.078 178.770 176.600 0.154 0.000 0.989 171 E CA 1.160 57.395 56.400 -0.274 0.000 0.800 171 E CB -0.383 29.187 29.700 -0.216 0.000 0.746 171 E HN 0.440 nan 8.360 nan 0.000 0.452 172 L N 0.949 122.187 121.223 0.024 0.000 1.989 172 L HA -0.203 4.138 4.340 0.002 0.000 0.211 172 L C 2.292 179.141 176.870 -0.036 0.000 1.071 172 L CA 1.543 56.343 54.840 -0.067 0.000 0.749 172 L CB -0.497 41.471 42.059 -0.151 0.000 0.890 172 L HN -0.038 nan 8.230 nan 0.000 0.431 173 V N -0.415 119.498 119.914 -0.002 0.000 2.324 173 V HA -0.338 3.783 4.120 0.002 0.000 0.250 173 V C 2.325 178.495 176.094 0.126 0.000 1.060 173 V CA 2.200 64.514 62.300 0.024 0.000 1.042 173 V CB -1.041 30.798 31.823 0.028 0.000 0.650 173 V HN 0.574 nan 8.190 nan 0.000 0.450 174 F N 1.993 122.012 119.950 0.115 0.000 2.102 174 F HA -0.006 4.522 4.527 0.002 0.000 0.298 174 F C 2.212 178.153 175.800 0.235 0.000 1.105 174 F CA 1.635 59.764 58.000 0.215 0.000 1.239 174 F CB -1.025 38.178 39.000 0.338 0.000 0.991 174 F HN 0.122 nan 8.300 nan 0.000 0.474 175 G N 0.024 108.913 108.800 0.148 0.000 2.459 175 G HA2 -0.295 3.667 3.960 0.002 0.000 0.217 175 G HA3 -0.295 3.667 3.960 0.002 0.000 0.217 175 G C 1.872 176.635 174.900 -0.227 0.000 1.183 175 G CA 1.248 46.311 45.100 -0.062 0.000 0.776 175 G HN 0.666 nan 8.290 nan 0.000 0.552 176 A N 0.938 123.650 122.820 -0.180 0.000 1.892 176 A HA -0.126 4.195 4.320 0.002 0.000 0.218 176 A C 2.323 179.896 177.584 -0.018 0.000 1.188 176 A CA 2.244 54.190 52.037 -0.152 0.000 0.631 176 A CB -0.459 18.482 19.000 -0.099 0.000 0.822 176 A HN 0.422 nan 8.150 nan 0.000 0.447 177 K N -0.969 119.454 120.400 0.039 0.000 2.097 177 K HA -0.127 4.194 4.320 0.002 0.000 0.206 177 K C 2.288 178.960 176.600 0.119 0.000 1.049 177 K CA 1.260 57.677 56.287 0.216 0.000 0.933 177 K CB -0.125 32.529 32.500 0.257 0.000 0.717 177 K HN 0.409 nan 8.250 nan 0.000 0.442 178 Q N 0.276 119.963 119.800 -0.189 0.000 2.079 178 Q HA -0.046 4.295 4.340 0.002 0.000 0.200 178 Q C 2.243 178.112 176.000 -0.219 0.000 0.974 178 Q CA 1.418 57.026 55.803 -0.325 0.000 0.840 178 Q CB -0.294 28.150 28.738 -0.491 0.000 0.898 178 Q HN 0.318 nan 8.270 nan 0.000 0.430 179 A N 0.470 123.152 122.820 -0.230 0.000 1.892 179 A HA -0.208 4.113 4.320 0.002 0.000 0.218 179 A C 1.834 179.443 177.584 0.042 0.000 1.188 179 A CA 1.584 53.425 52.037 -0.325 0.000 0.631 179 A CB -1.040 17.398 19.000 -0.936 0.000 0.822 179 A HN 0.541 nan 8.150 nan 0.000 0.447 180 W N 0.823 122.139 121.300 0.026 0.000 2.355 180 W HA -0.127 4.534 4.660 0.002 0.000 0.309 180 W C 2.390 178.876 176.519 -0.054 0.000 1.206 180 W CA 1.553 58.941 57.345 0.072 0.000 1.284 180 W CB -0.767 28.723 29.460 0.051 0.000 1.145 180 W HN 0.383 nan 8.180 nan 0.000 0.502 181 R N 0.315 120.759 120.500 -0.094 0.000 2.103 181 R HA -0.199 4.142 4.340 0.002 0.000 0.242 181 R C 1.642 177.792 176.300 -0.250 0.000 1.142 181 R CA 1.915 57.741 56.100 -0.458 0.000 0.960 181 R CB -0.617 29.111 30.300 -0.952 0.000 0.858 181 R HN 0.121 nan 8.270 nan 0.000 0.439 182 N N 0.420 119.023 118.700 -0.162 0.000 2.467 182 N HA -0.005 4.736 4.740 0.002 0.000 0.184 182 N C -0.251 175.220 175.510 -0.065 0.000 1.106 182 N CA 0.650 53.628 53.050 -0.120 0.000 0.892 182 N CB 0.257 38.676 38.487 -0.113 0.000 0.969 182 N HN 0.172 nan 8.380 nan 0.000 0.454 183 A N 2.334 125.166 122.820 0.021 0.000 2.500 183 A HA 0.170 4.491 4.320 0.002 0.000 0.285 183 A C -1.170 176.406 177.584 -0.013 0.000 1.183 183 A CA -0.863 51.195 52.037 0.035 0.000 0.851 183 A CB 0.192 19.274 19.000 0.136 0.000 1.091 183 A HN 0.029 nan 8.150 nan 0.000 0.521 184 P HA -0.134 nan 4.420 nan 0.000 0.218 184 P C 1.197 178.446 177.300 -0.085 0.000 1.149 184 P CA 1.184 64.226 63.100 -0.097 0.000 0.817 184 P CB 0.141 31.743 31.700 -0.163 0.000 0.785 185 R N -2.049 118.366 120.500 -0.141 0.000 2.299 185 R HA 0.104 4.445 4.340 0.002 0.000 0.197 185 R C 0.442 176.763 176.300 0.035 0.000 0.971 185 R CA -0.066 55.981 56.100 -0.087 0.000 1.030 185 R CB -0.598 29.477 30.300 -0.375 0.000 0.932 185 R HN 0.184 nan 8.270 nan 0.000 0.477 186 C N 0.752 120.059 119.300 0.013 0.000 2.373 186 C HA 0.160 4.621 4.460 0.002 0.000 0.354 186 C C 1.936 176.897 174.990 -0.048 0.000 1.249 186 C CA -0.588 58.461 59.018 0.051 0.000 1.784 186 C CB 0.419 28.262 27.740 0.172 0.000 2.408 186 C HN 0.284 nan 8.230 nan 0.000 0.542 187 V N 6.051 125.899 119.914 -0.110 0.000 3.406 187 V HA 0.220 4.341 4.120 0.002 0.000 0.263 187 V C 1.698 177.822 176.094 0.051 0.000 1.172 187 V CA 1.959 64.105 62.300 -0.257 0.000 1.140 187 V CB -0.095 31.591 31.823 -0.228 0.000 0.784 187 V HN 1.055 nan 8.190 nan 0.000 0.467 188 G N -0.624 108.240 108.800 0.105 0.000 3.609 188 G HA2 0.101 4.062 3.960 0.002 0.000 0.280 188 G HA3 0.101 4.062 3.960 0.002 0.000 0.280 188 G C 1.106 176.051 174.900 0.075 0.000 1.155 188 G CA -0.394 44.783 45.100 0.129 0.000 0.876 188 G HN 0.401 nan 8.290 nan 0.000 0.535 189 R N -0.174 120.287 120.500 -0.065 0.000 2.357 189 R HA 0.135 4.476 4.340 0.002 0.000 0.202 189 R C 1.909 177.751 176.300 -0.763 0.000 1.047 189 R CA 0.134 55.894 56.100 -0.566 0.000 1.034 189 R CB -0.090 29.867 30.300 -0.571 0.000 0.875 189 R HN 0.464 nan 8.270 nan 0.000 0.473 190 I N 0.682 120.998 120.570 -0.423 0.000 2.756 190 I HA -0.214 3.957 4.170 0.002 0.000 0.262 190 I C 1.244 177.273 176.117 -0.147 0.000 1.225 190 I CA 1.150 62.364 61.300 -0.144 0.000 1.472 190 I CB 0.185 38.208 38.000 0.039 0.000 1.094 190 I HN 0.213 nan 8.210 nan 0.000 0.454 191 Q N 0.404 120.047 119.800 -0.261 0.000 2.360 191 Q HA -0.083 4.258 4.340 0.002 0.000 0.202 191 Q C 1.629 177.204 176.000 -0.709 0.000 0.915 191 Q CA 0.251 55.895 55.803 -0.264 0.000 0.943 191 Q CB -0.125 28.622 28.738 0.015 0.000 1.064 191 Q HN 0.774 nan 8.270 nan 0.000 0.511 192 W N 0.320 120.868 121.300 -1.253 0.000 2.321 192 W HA -0.155 4.506 4.660 0.002 0.000 0.285 192 W C 1.070 177.275 176.519 -0.523 0.000 1.213 192 W CA 1.240 57.714 57.345 -1.451 0.000 1.205 192 W CB -1.141 27.693 29.460 -1.044 0.000 1.134 192 W HN 0.052 nan 8.180 nan 0.000 0.549 193 G N 1.062 109.180 108.800 -1.137 0.000 2.572 193 G HA2 -0.162 3.799 3.960 0.002 0.000 0.216 193 G HA3 -0.162 3.799 3.960 0.002 0.000 0.216 193 G C 0.804 175.482 174.900 -0.371 0.000 1.133 193 G CA 0.014 44.527 45.100 -0.980 0.000 0.791 193 G HN 0.245 nan 8.290 nan 0.000 0.538 194 K N 0.319 120.605 120.400 -0.191 0.000 2.356 194 K HA 0.509 4.830 4.320 0.002 0.000 0.243 194 K C -1.637 175.063 176.600 0.168 0.000 1.072 194 K CA -0.672 55.615 56.287 -0.000 0.000 1.014 194 K CB 0.329 32.854 32.500 0.042 0.000 1.523 194 K HN 0.068 nan 8.250 nan 0.000 0.455 195 L N 3.289 124.590 121.223 0.129 0.000 2.441 195 L HA 0.315 4.656 4.340 0.002 0.000 0.270 195 L C -1.186 175.667 176.870 -0.028 0.000 0.973 195 L CA -0.413 54.510 54.840 0.138 0.000 0.842 195 L CB 1.856 44.068 42.059 0.255 0.000 1.239 195 L HN 0.462 nan 8.230 nan 0.000 0.406 196 Q N 3.321 123.051 119.800 -0.116 0.000 2.293 196 Q HA 0.469 4.810 4.340 0.002 0.000 0.263 196 Q C -1.505 174.163 176.000 -0.553 0.000 1.002 196 Q CA 0.070 55.640 55.803 -0.389 0.000 0.910 196 Q CB 1.084 29.484 28.738 -0.563 0.000 1.185 196 Q HN 0.524 nan 8.270 nan 0.000 0.401 197 V N 6.449 126.052 119.914 -0.519 0.000 2.328 197 V HA 0.382 4.503 4.120 0.002 0.000 0.278 197 V C -0.748 175.045 176.094 -0.502 0.000 1.021 197 V CA -0.569 61.481 62.300 -0.416 0.000 0.838 197 V CB 0.327 32.018 31.823 -0.219 0.000 0.999 197 V HN 0.636 nan 8.190 nan 0.000 0.447 198 F N 2.741 122.557 119.950 -0.223 0.000 2.391 198 F HA 0.369 4.897 4.527 0.002 0.000 0.359 198 F C 0.552 176.200 175.800 -0.253 0.000 1.122 198 F CA -0.956 56.916 58.000 -0.213 0.000 1.120 198 F CB 0.921 39.798 39.000 -0.204 0.000 1.142 198 F HN 0.419 nan 8.300 nan 0.000 0.483 199 D N 3.183 123.563 120.400 -0.033 0.000 2.336 199 D HA 0.382 5.023 4.640 0.002 0.000 0.249 199 D C 0.133 176.299 176.300 -0.224 0.000 1.213 199 D CA 0.096 54.014 54.000 -0.137 0.000 0.870 199 D CB 1.157 41.911 40.800 -0.077 0.000 1.076 199 D HN 0.614 nan 8.370 nan 0.000 0.483 200 A N 4.539 127.057 122.820 -0.502 0.000 2.637 200 A HA 0.166 4.487 4.320 0.002 0.000 0.293 200 A C 1.523 178.805 177.584 -0.504 0.000 1.216 200 A CA -0.391 51.086 52.037 -0.933 0.000 0.956 200 A CB 0.067 17.961 19.000 -1.844 0.000 1.174 200 A HN 0.549 nan 8.150 nan 0.000 0.525 201 R N -0.135 120.218 120.500 -0.245 0.000 2.316 201 R HA -0.062 4.279 4.340 0.002 0.000 0.202 201 R C 0.748 177.016 176.300 -0.054 0.000 1.029 201 R CA 1.090 57.122 56.100 -0.114 0.000 1.018 201 R CB -0.049 30.245 30.300 -0.009 0.000 0.888 201 R HN 0.525 nan 8.270 nan 0.000 0.471 202 D N -0.278 120.110 120.400 -0.021 0.000 2.324 202 D HA -0.040 4.601 4.640 0.002 0.000 0.235 202 D C -0.581 175.808 176.300 0.148 0.000 1.095 202 D CA -0.031 54.015 54.000 0.077 0.000 0.871 202 D CB 0.040 40.914 40.800 0.123 0.000 0.906 202 D HN 0.057 nan 8.370 nan 0.000 0.522 203 C N 0.416 119.773 119.300 0.096 0.000 2.388 203 C HA 0.587 5.048 4.460 0.002 0.000 0.362 203 C C 1.431 176.545 174.990 0.207 0.000 1.266 203 C CA 0.049 59.191 59.018 0.207 0.000 2.028 203 C CB 0.412 28.289 27.740 0.228 0.000 2.440 203 C HN 0.464 nan 8.230 nan 0.000 0.547 204 S N 1.974 117.849 115.700 0.293 0.000 2.787 204 S HA 0.275 4.746 4.470 0.002 0.000 0.255 204 S C 0.036 174.820 174.600 0.307 0.000 1.051 204 S CA 0.236 58.638 58.200 0.336 0.000 1.124 204 S CB -0.183 63.144 63.200 0.213 0.000 1.104 204 S HN 1.146 nan 8.310 nan 0.000 0.623 205 S N -0.235 115.639 115.700 0.291 0.000 2.618 205 S HA 0.834 5.305 4.470 0.002 0.000 0.277 205 S C 0.858 175.565 174.600 0.179 0.000 1.138 205 S CA -0.282 58.034 58.200 0.194 0.000 0.844 205 S CB 1.093 64.382 63.200 0.149 0.000 1.127 205 S HN 0.512 nan 8.310 nan 0.000 0.474 206 A N 0.632 123.528 122.820 0.127 0.000 1.969 206 A HA -0.061 4.260 4.320 0.002 0.000 0.218 206 A C 2.092 179.669 177.584 -0.011 0.000 1.169 206 A CA 1.758 53.849 52.037 0.089 0.000 0.635 206 A CB -1.076 18.042 19.000 0.197 0.000 0.810 206 A HN 0.927 nan 8.150 nan 0.000 0.445 207 Q N -0.506 119.390 119.800 0.160 0.000 2.224 207 Q HA -0.183 4.158 4.340 0.002 0.000 0.203 207 Q C 1.765 177.798 176.000 0.056 0.000 0.970 207 Q CA 1.614 57.497 55.803 0.134 0.000 0.865 207 Q CB -0.083 28.816 28.738 0.267 0.000 0.922 207 Q HN 0.786 nan 8.270 nan 0.000 0.445 208 E N -0.358 119.903 120.200 0.102 0.000 2.112 208 E HA -0.098 4.253 4.350 0.002 0.000 0.190 208 E C 1.984 178.734 176.600 0.250 0.000 0.979 208 E CA 0.863 57.353 56.400 0.150 0.000 0.814 208 E CB 0.072 29.912 29.700 0.233 0.000 0.762 208 E HN 0.437 nan 8.360 nan 0.000 0.460 209 M N -0.085 119.615 119.600 0.166 0.000 2.117 209 M HA -0.148 4.333 4.480 0.002 0.000 0.262 209 M C 2.136 178.495 176.300 0.098 0.000 1.065 209 M CA 1.407 56.770 55.300 0.105 0.000 1.114 209 M CB -0.344 32.056 32.600 -0.332 0.000 1.361 209 M HN 0.154 nan 8.290 nan 0.000 0.408 210 F N 1.164 120.911 119.950 -0.338 0.000 2.095 210 F HA -0.267 4.261 4.527 0.002 0.000 0.298 210 F C 2.278 177.978 175.800 -0.166 0.000 1.104 210 F CA 1.840 59.586 58.000 -0.424 0.000 1.232 210 F CB -0.162 38.269 39.000 -0.947 0.000 0.987 210 F HN 0.062 nan 8.300 nan 0.000 0.475 211 T N -0.377 114.009 114.554 -0.280 0.000 2.708 211 T HA -0.240 4.111 4.350 0.002 0.000 0.266 211 T C 1.547 176.079 174.700 -0.280 0.000 1.037 211 T CA 1.833 63.716 62.100 -0.363 0.000 1.146 211 T CB -0.839 67.871 68.868 -0.262 0.000 0.865 211 T HN 0.367 nan 8.240 nan 0.000 0.435 212 Y N 1.024 121.262 120.300 -0.103 0.000 2.097 212 Y HA -0.114 4.437 4.550 0.002 0.000 0.282 212 Y C 2.386 178.225 175.900 -0.103 0.000 1.152 212 Y CA 1.065 59.119 58.100 -0.078 0.000 1.136 212 Y CB -0.347 38.180 38.460 0.113 0.000 0.975 212 Y HN 0.124 nan 8.280 nan 0.000 0.498 213 I N -1.383 119.287 120.570 0.166 0.000 2.423 213 I HA -0.370 3.801 4.170 0.002 0.000 0.254 213 I C 2.140 178.199 176.117 -0.097 0.000 1.151 213 I CA 0.856 62.188 61.300 0.053 0.000 1.421 213 I CB -0.384 37.655 38.000 0.065 0.000 1.079 213 I HN 0.401 nan 8.210 nan 0.000 0.431 214 C N 0.478 119.617 119.300 -0.268 0.000 2.467 214 C HA -0.060 4.401 4.460 0.002 0.000 0.279 214 C C 2.549 177.438 174.990 -0.169 0.000 1.347 214 C CA 0.485 59.326 59.018 -0.295 0.000 1.748 214 C CB -1.244 26.179 27.740 -0.528 0.000 1.977 214 C HN 0.549 nan 8.230 nan 0.000 0.501 215 N N 0.237 118.824 118.700 -0.190 0.000 2.135 215 N HA -0.126 4.615 4.740 0.002 0.000 0.186 215 N C 1.451 176.872 175.510 -0.149 0.000 1.027 215 N CA 1.361 54.292 53.050 -0.199 0.000 0.849 215 N CB -0.858 37.433 38.487 -0.327 0.000 1.002 215 N HN 0.733 nan 8.380 nan 0.000 0.425 216 H N 0.886 119.774 119.070 -0.304 0.000 2.289 216 H HA -0.026 4.531 4.556 0.002 0.000 0.296 216 H C 2.140 177.508 175.328 0.066 0.000 1.091 216 H CA 1.755 57.719 56.048 -0.141 0.000 1.274 216 H CB -0.089 29.636 29.762 -0.061 0.000 1.364 216 H HN 0.092 nan 8.280 nan 0.000 0.490 217 I N 0.637 121.356 120.570 0.249 0.000 2.208 217 I HA -0.279 3.892 4.170 0.002 0.000 0.245 217 I C 2.485 178.692 176.117 0.149 0.000 1.097 217 I CA 1.452 62.859 61.300 0.178 0.000 1.363 217 I CB -0.279 37.746 38.000 0.041 0.000 1.051 217 I HN 0.342 nan 8.210 nan 0.000 0.413 218 K N -0.060 120.395 120.400 0.091 0.000 2.026 218 K HA -0.245 4.076 4.320 0.002 0.000 0.208 218 K C 2.234 178.903 176.600 0.115 0.000 1.048 218 K CA 1.885 58.215 56.287 0.072 0.000 0.929 218 K CB -0.431 32.089 32.500 0.033 0.000 0.713 218 K HN 0.263 nan 8.250 nan 0.000 0.439 219 Y N 1.395 121.732 120.300 0.061 0.000 2.109 219 Y HA -0.220 4.331 4.550 0.002 0.000 0.285 219 Y C 2.271 178.250 175.900 0.132 0.000 1.131 219 Y CA 1.508 59.676 58.100 0.114 0.000 1.121 219 Y CB -0.538 38.053 38.460 0.218 0.000 0.987 219 Y HN 0.048 nan 8.280 nan 0.000 0.495 220 A N -0.385 122.660 122.820 0.374 0.000 1.917 220 A HA -0.236 4.085 4.320 0.002 0.000 0.219 220 A C 2.206 179.876 177.584 0.144 0.000 1.182 220 A CA 2.610 54.820 52.037 0.288 0.000 0.633 220 A CB -1.443 17.797 19.000 0.401 0.000 0.819 220 A HN 0.565 nan 8.150 nan 0.000 0.448 221 T N -0.570 114.064 114.554 0.135 0.000 2.737 221 T HA -0.116 4.235 4.350 0.002 0.000 0.265 221 T C 0.998 175.716 174.700 0.030 0.000 1.038 221 T CA 0.965 63.125 62.100 0.100 0.000 1.144 221 T CB -0.571 68.353 68.868 0.095 0.000 0.866 221 T HN 0.757 nan 8.240 nan 0.000 0.434 222 N N 1.183 119.867 118.700 -0.027 0.000 2.699 222 N HA -0.276 4.465 4.740 0.002 0.000 0.256 222 N C -0.685 174.803 175.510 -0.037 0.000 0.993 222 N CA -0.005 52.999 53.050 -0.076 0.000 0.759 222 N CB -0.577 37.816 38.487 -0.157 0.000 0.906 222 N HN 0.423 nan 8.380 nan 0.000 0.541 223 R N -1.777 118.715 120.500 -0.013 0.000 3.502 223 R HA -0.258 4.083 4.340 0.002 0.000 0.266 223 R C 1.255 177.548 176.300 -0.012 0.000 1.077 223 R CA 0.984 57.078 56.100 -0.011 0.000 0.718 223 R CB -2.241 28.047 30.300 -0.018 0.000 1.120 223 R HN 0.861 nan 8.270 nan 0.000 0.457 224 G N -0.160 108.642 108.800 0.004 0.000 2.232 224 G HA2 -0.342 3.620 3.960 0.002 0.000 0.226 224 G HA3 -0.342 3.620 3.960 0.002 0.000 0.226 224 G C -0.010 174.890 174.900 -0.000 0.000 0.996 224 G CA 0.156 45.260 45.100 0.006 0.000 0.626 224 G HN 0.513 nan 8.290 nan 0.000 0.509 225 N N 1.008 119.695 118.700 -0.020 0.000 3.234 225 N HA 0.463 5.204 4.740 0.002 0.000 0.272 225 N C 0.284 175.779 175.510 -0.025 0.000 1.254 225 N CA -0.736 52.286 53.050 -0.047 0.000 1.087 225 N CB -0.063 38.388 38.487 -0.061 0.000 1.356 225 N HN 0.157 nan 8.380 nan 0.000 0.511 226 L N 2.007 123.250 121.223 0.033 0.000 2.543 226 L HA 0.015 4.356 4.340 0.002 0.000 0.285 226 L C 0.641 177.635 176.870 0.207 0.000 1.236 226 L CA 1.102 56.032 54.840 0.149 0.000 0.871 226 L CB 0.146 42.384 42.059 0.298 0.000 1.121 226 L HN 0.348 nan 8.230 nan 0.000 0.501 227 R N 1.188 121.823 120.500 0.226 0.000 2.575 227 R HA 0.453 4.794 4.340 0.002 0.000 0.293 227 R C -0.791 175.697 176.300 0.312 0.000 0.983 227 R CA -0.692 55.568 56.100 0.267 0.000 0.887 227 R CB 1.738 32.067 30.300 0.048 0.000 1.184 227 R HN 0.568 nan 8.270 nan 0.000 0.445 228 S N 1.513 117.388 115.700 0.292 0.000 2.533 228 S HA 0.485 4.956 4.470 0.002 0.000 0.282 228 S C -0.251 174.397 174.600 0.079 0.000 1.304 228 S CA -0.303 57.957 58.200 0.099 0.000 1.063 228 S CB 1.222 64.401 63.200 -0.036 0.000 0.881 228 S HN 0.692 nan 8.310 nan 0.000 0.493 229 A N 2.871 125.699 122.820 0.012 0.000 2.594 229 A HA 0.867 5.188 4.320 0.002 0.000 0.291 229 A C -1.186 176.383 177.584 -0.025 0.000 1.105 229 A CA -0.699 51.272 52.037 -0.110 0.000 0.694 229 A CB 1.256 20.117 19.000 -0.231 0.000 1.291 229 A HN 0.800 nan 8.150 nan 0.000 0.410 230 I N 0.094 120.642 120.570 -0.037 0.000 2.802 230 I HA 0.653 4.824 4.170 0.002 0.000 0.298 230 I C -1.274 174.933 176.117 0.150 0.000 1.176 230 I CA -0.178 61.228 61.300 0.176 0.000 1.025 230 I CB 2.487 40.559 38.000 0.121 0.000 1.243 230 I HN 0.616 nan 8.210 nan 0.000 0.424 231 T N 5.922 120.599 114.554 0.206 0.000 2.841 231 T HA 0.471 4.822 4.350 0.002 0.000 0.285 231 T C -0.918 173.611 174.700 -0.285 0.000 0.991 231 T CA -0.377 61.706 62.100 -0.028 0.000 0.966 231 T CB 1.676 70.529 68.868 -0.025 0.000 0.962 231 T HN 0.259 nan 8.240 nan 0.000 0.438 232 V N 4.815 124.477 119.914 -0.421 0.000 2.328 232 V HA 0.504 4.625 4.120 0.002 0.000 0.278 232 V C -0.455 175.339 176.094 -0.500 0.000 1.021 232 V CA -0.833 61.236 62.300 -0.386 0.000 0.838 232 V CB 0.048 31.621 31.823 -0.416 0.000 0.999 232 V HN 0.720 nan 8.190 nan 0.000 0.447 233 F N 4.853 124.732 119.950 -0.119 0.000 2.362 233 F HA 0.511 5.039 4.527 0.002 0.000 0.311 233 F C -1.802 173.895 175.800 -0.173 0.000 1.161 233 F CA -2.437 55.409 58.000 -0.256 0.000 1.085 233 F CB 0.137 38.981 39.000 -0.259 0.000 1.311 233 F HN 0.287 nan 8.300 nan 0.000 0.524 234 P HA -0.038 nan 4.420 nan 0.000 0.263 234 P C -0.908 176.373 177.300 -0.033 0.000 1.175 234 P CA -0.002 62.994 63.100 -0.174 0.000 0.761 234 P CB 0.183 31.619 31.700 -0.441 0.000 0.794 235 Q N 3.644 123.356 119.800 -0.146 0.000 2.584 235 Q HA 0.128 4.469 4.340 0.002 0.000 0.235 235 Q C -0.214 175.638 176.000 -0.247 0.000 1.079 235 Q CA -0.214 55.243 55.803 -0.577 0.000 0.977 235 Q CB 0.505 28.677 28.738 -0.944 0.000 1.293 235 Q HN 0.353 nan 8.270 nan 0.000 0.553 236 R N -0.213 120.123 120.500 -0.273 0.000 2.641 236 R HA 0.500 4.841 4.340 0.002 0.000 0.269 236 R C -0.718 175.516 176.300 -0.109 0.000 1.074 236 R CA 0.151 56.186 56.100 -0.109 0.000 1.133 236 R CB 0.767 31.003 30.300 -0.107 0.000 1.029 236 R HN 0.720 nan 8.270 nan 0.000 0.488 237 A N 3.440 126.240 122.820 -0.032 0.000 2.374 237 A HA 0.494 4.815 4.320 0.002 0.000 0.305 237 A C -2.521 175.057 177.584 -0.011 0.000 1.053 237 A CA -2.026 49.997 52.037 -0.023 0.000 0.726 237 A CB 1.466 20.481 19.000 0.025 0.000 1.229 237 A HN 0.396 nan 8.150 nan 0.000 0.431 238 P HA 0.214 nan 4.420 nan 0.000 0.262 238 P C 1.066 178.369 177.300 0.004 0.000 1.182 238 P CA 2.210 65.306 63.100 -0.006 0.000 0.761 238 P CB 0.559 32.258 31.700 -0.003 0.000 0.795 239 G N 1.951 110.753 108.800 0.003 0.000 2.225 239 G HA2 -0.288 3.673 3.960 0.002 0.000 0.267 239 G HA3 -0.288 3.673 3.960 0.002 0.000 0.267 239 G C 0.160 175.065 174.900 0.009 0.000 1.024 239 G CA -0.021 45.084 45.100 0.007 0.000 0.784 239 G HN 0.726 nan 8.290 nan 0.000 0.507 240 R N -0.320 120.185 120.500 0.009 0.000 2.673 240 R HA 0.562 4.903 4.340 0.002 0.000 0.281 240 R C 0.819 177.122 176.300 0.004 0.000 0.991 240 R CA -0.151 55.954 56.100 0.009 0.000 0.896 240 R CB 1.027 31.340 30.300 0.022 0.000 1.201 240 R HN 0.465 nan 8.270 nan 0.000 0.457 241 G N 1.732 110.525 108.800 -0.011 0.000 2.630 241 G HA2 0.016 3.978 3.960 0.002 0.000 0.236 241 G HA3 0.016 3.978 3.960 0.002 0.000 0.236 241 G C -0.608 174.285 174.900 -0.012 0.000 1.248 241 G CA -0.200 44.892 45.100 -0.014 0.000 0.844 241 G HN 0.566 nan 8.290 nan 0.000 0.588 242 D N -0.415 119.997 120.400 0.020 0.000 2.193 242 D HA 0.369 5.010 4.640 0.002 0.000 0.249 242 D C -0.085 176.265 176.300 0.084 0.000 1.034 242 D CA -0.197 53.853 54.000 0.084 0.000 0.902 242 D CB 1.124 41.978 40.800 0.091 0.000 1.182 242 D HN 0.114 nan 8.370 nan 0.000 0.436 243 F N 1.710 121.688 119.950 0.045 0.000 2.484 243 F HA 0.251 4.779 4.527 0.002 0.000 0.360 243 F C 1.207 177.036 175.800 0.048 0.000 1.101 243 F CA 0.280 58.293 58.000 0.022 0.000 1.251 243 F CB 0.507 39.509 39.000 0.002 0.000 1.132 243 F HN -0.153 nan 8.300 nan 0.000 0.570 244 R N 3.441 124.063 120.500 0.202 0.000 2.740 244 R HA 0.539 4.880 4.340 0.002 0.000 0.273 244 R C -1.315 175.120 176.300 0.225 0.000 0.998 244 R CA -0.881 55.358 56.100 0.231 0.000 0.900 244 R CB 2.253 32.737 30.300 0.307 0.000 1.223 244 R HN 0.600 nan 8.270 nan 0.000 0.466 245 I N 1.692 122.398 120.570 0.226 0.000 2.354 245 I HA 0.166 4.337 4.170 0.002 0.000 0.286 245 I C 0.437 176.762 176.117 0.346 0.000 1.007 245 I CA -0.474 60.945 61.300 0.199 0.000 1.167 245 I CB 1.288 39.350 38.000 0.104 0.000 1.320 245 I HN 0.522 nan 8.210 nan 0.000 0.458 246 W N 3.541 124.886 121.300 0.075 0.000 2.388 246 W HA -0.095 4.566 4.660 0.002 0.000 0.294 246 W C 0.981 177.602 176.519 0.172 0.000 1.212 246 W CA 0.243 57.701 57.345 0.189 0.000 1.271 246 W CB -0.768 28.765 29.460 0.122 0.000 1.126 246 W HN 0.405 nan 8.180 nan 0.000 0.535 247 N N 0.030 118.886 118.700 0.261 0.000 2.492 247 N HA 0.009 4.750 4.740 0.002 0.000 0.260 247 N C 1.315 176.886 175.510 0.101 0.000 1.215 247 N CA 0.849 53.974 53.050 0.124 0.000 0.923 247 N CB 0.799 39.297 38.487 0.019 0.000 1.092 247 N HN -0.093 nan 8.380 nan 0.000 0.448 248 S N 0.925 116.676 115.700 0.084 0.000 2.414 248 S HA -0.035 4.436 4.470 0.002 0.000 0.227 248 S C 0.374 174.972 174.600 -0.005 0.000 1.022 248 S CA 0.660 58.897 58.200 0.062 0.000 0.958 248 S CB 0.067 63.322 63.200 0.092 0.000 0.797 248 S HN 0.634 nan 8.310 nan 0.000 0.493 249 Q N -0.606 119.178 119.800 -0.026 0.000 2.451 249 Q HA 0.516 4.857 4.340 0.002 0.000 0.281 249 Q C 0.147 176.069 176.000 -0.129 0.000 1.099 249 Q CA -0.564 55.189 55.803 -0.083 0.000 0.806 249 Q CB 1.934 30.658 28.738 -0.023 0.000 1.419 249 Q HN 0.138 nan 8.270 nan 0.000 0.427 250 L N 0.168 121.290 121.223 -0.169 0.000 2.376 250 L HA 0.051 4.392 4.340 0.002 0.000 0.219 250 L C 0.174 176.898 176.870 -0.243 0.000 1.133 250 L CA 0.615 55.351 54.840 -0.172 0.000 0.816 250 L CB 0.240 42.192 42.059 -0.178 0.000 0.933 250 L HN 0.224 nan 8.230 nan 0.000 0.449 251 V N 0.847 120.526 119.914 -0.392 0.000 2.482 251 V HA 0.496 4.617 4.120 0.002 0.000 0.295 251 V C -0.594 174.993 176.094 -0.845 0.000 1.026 251 V CA -0.721 61.166 62.300 -0.689 0.000 0.856 251 V CB 1.778 32.985 31.823 -1.026 0.000 1.001 251 V HN 0.122 nan 8.190 nan 0.000 0.424 252 R N 3.095 123.242 120.500 -0.588 0.000 2.651 252 R HA 0.506 4.847 4.340 0.002 0.000 0.278 252 R C -1.709 174.403 176.300 -0.314 0.000 1.010 252 R CA -0.786 55.080 56.100 -0.390 0.000 0.896 252 R CB 1.959 32.166 30.300 -0.153 0.000 1.211 252 R HN 0.553 nan 8.270 nan 0.000 0.456 253 Y N 0.618 120.893 120.300 -0.042 0.000 2.304 253 Y HA 0.431 4.982 4.550 0.002 0.000 0.328 253 Y C 1.114 176.958 175.900 -0.093 0.000 1.123 253 Y CA -0.733 57.349 58.100 -0.029 0.000 1.218 253 Y CB 0.898 39.402 38.460 0.074 0.000 1.207 253 Y HN 0.694 nan 8.280 nan 0.000 0.495 254 A N 2.012 124.825 122.820 -0.013 0.000 2.466 254 A HA 0.490 4.811 4.320 0.002 0.000 0.238 254 A C 0.720 178.036 177.584 -0.447 0.000 1.074 254 A CA 0.314 52.180 52.037 -0.285 0.000 0.774 254 A CB -0.247 18.504 19.000 -0.416 0.000 1.015 254 A HN 0.959 nan 8.150 nan 0.000 0.498 255 G N 0.733 109.289 108.800 -0.406 0.000 2.660 255 G HA2 0.537 4.498 3.960 0.002 0.000 0.305 255 G HA3 0.537 4.498 3.960 0.002 0.000 0.305 255 G C -0.917 173.852 174.900 -0.219 0.000 1.329 255 G CA -0.282 44.641 45.100 -0.295 0.000 1.000 255 G HN 0.578 nan 8.290 nan 0.000 0.514 256 Y N 1.626 121.937 120.300 0.020 0.000 2.353 256 Y HA 0.384 4.935 4.550 0.002 0.000 0.340 256 Y C 0.930 176.830 175.900 0.001 0.000 0.972 256 Y CA -1.133 56.982 58.100 0.024 0.000 1.157 256 Y CB 1.510 39.984 38.460 0.023 0.000 1.157 256 Y HN 0.476 nan 8.280 nan 0.000 0.495 257 R N 3.630 124.223 120.500 0.155 0.000 2.343 257 R HA 0.111 4.452 4.340 0.002 0.000 0.326 257 R C -0.403 175.938 176.300 0.068 0.000 1.055 257 R CA 0.282 56.431 56.100 0.083 0.000 0.961 257 R CB 0.229 30.565 30.300 0.060 0.000 0.978 257 R HN 0.744 nan 8.270 nan 0.000 0.443 258 Q N 2.025 121.855 119.800 0.050 0.000 2.665 258 Q HA 0.173 4.514 4.340 0.002 0.000 0.176 258 Q C 0.713 176.722 176.000 0.015 0.000 1.025 258 Q CA -0.889 54.931 55.803 0.027 0.000 0.953 258 Q CB 0.391 29.144 28.738 0.024 0.000 2.143 258 Q HN 0.604 nan 8.270 nan 0.000 0.464 259 Q N 1.243 121.046 119.800 0.006 0.000 1.799 259 Q HA -0.261 4.080 4.340 0.002 0.000 0.504 259 Q C 0.523 176.526 176.000 0.005 0.000 1.005 259 Q CA 2.092 57.897 55.803 0.002 0.000 0.861 259 Q CB -0.860 27.878 28.738 0.001 0.000 0.931 259 Q HN 0.777 nan 8.270 nan 0.000 0.432 260 D N 0.229 120.632 120.400 0.006 0.000 3.032 260 D HA 0.160 4.801 4.640 0.002 0.000 0.241 260 D C 0.918 177.224 176.300 0.010 0.000 1.196 260 D CA 0.706 54.710 54.000 0.007 0.000 0.927 260 D CB -0.440 40.364 40.800 0.005 0.000 1.129 260 D HN 0.730 nan 8.370 nan 0.000 0.458 261 G N 0.887 109.694 108.800 0.013 0.000 2.205 261 G HA2 -0.386 3.575 3.960 0.002 0.000 0.269 261 G HA3 -0.386 3.575 3.960 0.002 0.000 0.269 261 G C 0.649 175.559 174.900 0.016 0.000 0.977 261 G CA 0.868 45.978 45.100 0.016 0.000 0.652 261 G HN 0.799 nan 8.290 nan 0.000 0.539 262 S N -1.291 114.417 115.700 0.013 0.000 2.617 262 S HA 0.632 5.103 4.470 0.002 0.000 0.255 262 S C 0.128 174.733 174.600 0.009 0.000 1.318 262 S CA 0.145 58.350 58.200 0.009 0.000 0.978 262 S CB 2.085 65.289 63.200 0.007 0.000 0.961 262 S HN 1.138 nan 8.310 nan 0.000 0.582 263 V N 0.675 120.585 119.914 -0.006 0.000 2.760 263 V HA 0.547 4.668 4.120 0.002 0.000 0.309 263 V C -0.173 175.898 176.094 -0.038 0.000 1.077 263 V CA -0.842 61.449 62.300 -0.015 0.000 0.910 263 V CB 1.814 33.611 31.823 -0.044 0.000 1.008 263 V HN 0.945 nan 8.190 nan 0.000 0.424 264 R N 2.278 122.781 120.500 0.005 0.000 2.294 264 R HA 0.696 5.037 4.340 0.002 0.000 0.319 264 R C 0.593 176.843 176.300 -0.083 0.000 0.984 264 R CA 0.903 57.005 56.100 0.004 0.000 0.861 264 R CB 1.181 31.553 30.300 0.119 0.000 1.104 264 R HN 1.243 nan 8.270 nan 0.000 0.451 265 G N 2.972 111.633 108.800 -0.231 0.000 2.516 265 G HA2 -0.245 3.716 3.960 0.002 0.000 0.220 265 G HA3 -0.245 3.716 3.960 0.002 0.000 0.220 265 G C -1.283 173.184 174.900 -0.721 0.000 1.165 265 G CA -0.020 44.860 45.100 -0.366 0.000 1.013 265 G HN 0.618 nan 8.290 nan 0.000 0.590 266 D N 1.768 121.912 120.400 -0.428 0.000 2.454 266 D HA 0.596 5.237 4.640 0.002 0.000 0.225 266 D C -1.159 175.033 176.300 -0.180 0.000 1.081 266 D CA -1.989 51.796 54.000 -0.358 0.000 0.864 266 D CB 1.531 42.429 40.800 0.163 0.000 1.040 266 D HN -0.024 nan 8.370 nan 0.000 0.517 267 P HA -0.144 nan 4.420 nan 0.000 0.218 267 P C 0.846 178.148 177.300 0.003 0.000 1.146 267 P CA 1.059 64.114 63.100 -0.075 0.000 0.820 267 P CB 0.320 31.984 31.700 -0.061 0.000 0.778 268 A N -1.092 121.748 122.820 0.033 0.000 2.167 268 A HA -0.056 4.265 4.320 0.002 0.000 0.214 268 A C 1.412 179.040 177.584 0.072 0.000 1.151 268 A CA 1.021 53.108 52.037 0.084 0.000 0.735 268 A CB -0.683 18.387 19.000 0.117 0.000 0.802 268 A HN 0.144 nan 8.150 nan 0.000 0.467 269 N N -0.160 118.562 118.700 0.037 0.000 2.389 269 N HA 0.173 4.914 4.740 0.002 0.000 0.260 269 N C 0.888 176.384 175.510 -0.023 0.000 1.191 269 N CA 0.072 53.130 53.050 0.013 0.000 0.885 269 N CB 0.919 39.409 38.487 0.004 0.000 1.162 269 N HN 0.176 nan 8.380 nan 0.000 0.512 270 V N 0.635 120.546 119.914 -0.005 0.000 2.323 270 V HA -0.183 3.938 4.120 0.002 0.000 0.244 270 V C 2.416 178.514 176.094 0.007 0.000 1.041 270 V CA 1.650 63.950 62.300 -0.000 0.000 1.025 270 V CB -0.175 31.658 31.823 0.018 0.000 0.656 270 V HN 0.377 nan 8.190 nan 0.000 0.451 271 E N -0.158 120.048 120.200 0.010 0.000 2.017 271 E HA -0.261 4.090 4.350 0.002 0.000 0.193 271 E C 2.189 178.719 176.600 -0.116 0.000 0.997 271 E CA 1.773 58.158 56.400 -0.025 0.000 0.804 271 E CB -0.193 29.530 29.700 0.037 0.000 0.757 271 E HN 0.431 nan 8.360 nan 0.000 0.448 272 I N 0.985 121.492 120.570 -0.106 0.000 2.208 272 I HA -0.242 3.929 4.170 0.002 0.000 0.245 272 I C 2.158 178.209 176.117 -0.109 0.000 1.097 272 I CA 1.678 62.884 61.300 -0.156 0.000 1.363 272 I CB -0.577 37.382 38.000 -0.069 0.000 1.051 272 I HN 0.117 nan 8.210 nan 0.000 0.413 273 T N 0.456 114.973 114.554 -0.062 0.000 2.720 273 T HA -0.195 4.156 4.350 0.002 0.000 0.268 273 T C 1.763 176.529 174.700 0.111 0.000 1.037 273 T CA 1.885 63.986 62.100 0.001 0.000 1.144 273 T CB -0.233 68.637 68.868 0.002 0.000 0.864 273 T HN 0.497 nan 8.240 nan 0.000 0.444 274 E N 0.619 120.860 120.200 0.068 0.000 2.051 274 E HA -0.048 4.303 4.350 0.002 0.000 0.192 274 E C 2.298 178.940 176.600 0.071 0.000 0.991 274 E CA 0.855 57.307 56.400 0.086 0.000 0.799 274 E CB -0.298 29.427 29.700 0.042 0.000 0.748 274 E HN 0.399 nan 8.360 nan 0.000 0.449 275 L N 0.604 121.818 121.223 -0.014 0.000 2.081 275 L HA -0.270 4.071 4.340 0.002 0.000 0.212 275 L C 2.601 179.554 176.870 0.139 0.000 1.080 275 L CA 0.806 55.662 54.840 0.027 0.000 0.754 275 L CB -0.460 41.512 42.059 -0.145 0.000 0.893 275 L HN 0.344 nan 8.230 nan 0.000 0.433 276 C N -0.130 119.208 119.300 0.063 0.000 2.462 276 C HA -0.137 4.324 4.460 0.002 0.000 0.278 276 C C 2.693 177.846 174.990 0.271 0.000 1.253 276 C CA 0.370 59.436 59.018 0.080 0.000 1.713 276 C CB -0.601 27.093 27.740 -0.077 0.000 2.049 276 C HN 0.428 nan 8.230 nan 0.000 0.477 277 I N 0.835 121.607 120.570 0.336 0.000 2.194 277 I HA -0.312 3.859 4.170 0.002 0.000 0.246 277 I C 2.752 178.962 176.117 0.154 0.000 1.093 277 I CA 1.839 63.308 61.300 0.282 0.000 1.355 277 I CB -0.726 37.404 38.000 0.217 0.000 1.046 277 I HN 0.516 nan 8.210 nan 0.000 0.413 278 Q N 0.526 120.408 119.800 0.137 0.000 2.291 278 Q HA -0.221 4.120 4.340 0.002 0.000 0.206 278 Q C 0.858 176.810 176.000 -0.081 0.000 0.976 278 Q CA 1.514 57.338 55.803 0.035 0.000 0.875 278 Q CB 0.020 28.782 28.738 0.041 0.000 0.927 278 Q HN 0.604 nan 8.270 nan 0.000 0.450 279 H N -1.557 117.512 119.070 -0.003 0.000 2.488 279 H HA 0.330 4.887 4.556 0.002 0.000 0.294 279 H C 0.342 175.655 175.328 -0.024 0.000 1.088 279 H CA 0.487 56.508 56.048 -0.045 0.000 1.086 279 H CB 0.974 30.669 29.762 -0.111 0.000 1.569 279 H HN 0.395 nan 8.280 nan 0.000 0.548 280 G N 0.096 108.942 108.800 0.078 0.000 2.142 280 G HA2 -0.265 3.696 3.960 0.002 0.000 0.225 280 G HA3 -0.265 3.696 3.960 0.002 0.000 0.225 280 G C -0.229 174.739 174.900 0.115 0.000 1.015 280 G CA -0.070 45.062 45.100 0.052 0.000 0.716 280 G HN 0.413 nan 8.290 nan 0.000 0.508 281 W N 1.641 122.929 121.300 -0.020 0.000 2.315 281 W HA 0.662 5.323 4.660 0.002 0.000 0.316 281 W C 0.339 176.854 176.519 -0.007 0.000 1.211 281 W CA -0.358 56.977 57.345 -0.017 0.000 1.201 281 W CB 1.043 30.503 29.460 -0.001 0.000 1.184 281 W HN 0.059 nan 8.180 nan 0.000 0.544 282 T N 9.658 123.805 114.554 -0.679 0.000 2.987 282 T HA 0.131 4.482 4.350 0.002 0.000 0.288 282 T C -1.963 171.951 174.700 -1.310 0.000 0.981 282 T CA -0.783 60.900 62.100 -0.695 0.000 1.031 282 T CB -0.165 68.458 68.868 -0.408 0.000 0.976 282 T HN 0.237 nan 8.240 nan 0.000 0.612 283 P HA 0.180 nan 4.420 nan 0.000 0.270 283 P C 0.483 177.330 177.300 -0.756 0.000 1.227 283 P CA -0.120 62.225 63.100 -1.258 0.000 0.788 283 P CB 0.791 32.166 31.700 -0.542 0.000 0.926 284 G N 0.546 109.084 108.800 -0.436 0.000 2.857 284 G HA2 0.360 4.321 3.960 0.002 0.000 0.217 284 G HA3 0.360 4.321 3.960 0.002 0.000 0.217 284 G C 0.069 174.728 174.900 -0.400 0.000 1.357 284 G CA -0.543 44.432 45.100 -0.208 0.000 1.033 284 G HN 0.722 nan 8.290 nan 0.000 0.571 285 N N -0.510 118.110 118.700 -0.133 0.000 2.527 285 N HA 0.213 4.954 4.740 0.002 0.000 0.279 285 N C 0.126 175.685 175.510 0.082 0.000 1.571 285 N CA -0.034 52.930 53.050 -0.142 0.000 0.858 285 N CB 0.684 39.080 38.487 -0.152 0.000 1.422 285 N HN 0.699 nan 8.380 nan 0.000 0.491 286 G N 0.246 109.190 108.800 0.240 0.000 2.667 286 G HA2 0.430 4.391 3.960 0.002 0.000 0.310 286 G HA3 0.430 4.391 3.960 0.002 0.000 0.310 286 G C 0.444 175.426 174.900 0.137 0.000 1.259 286 G CA -0.699 44.507 45.100 0.177 0.000 1.019 286 G HN 0.112 nan 8.290 nan 0.000 0.496 287 R N -1.204 119.289 120.500 -0.012 0.000 2.223 287 R HA 0.145 4.486 4.340 0.002 0.000 0.198 287 R C -0.175 175.725 176.300 -0.666 0.000 0.984 287 R CA 0.649 56.562 56.100 -0.312 0.000 1.018 287 R CB 0.198 30.234 30.300 -0.440 0.000 0.945 287 R HN 0.390 nan 8.270 nan 0.000 0.479 288 F N 0.963 120.839 119.950 -0.123 0.000 2.597 288 F HA 0.262 4.790 4.527 0.002 0.000 0.336 288 F C -0.698 174.952 175.800 -0.249 0.000 1.432 288 F CA -1.074 56.558 58.000 -0.613 0.000 1.120 288 F CB 0.679 39.104 39.000 -0.958 0.000 1.253 288 F HN -0.296 nan 8.300 nan 0.000 0.546 289 D N 1.769 122.270 120.400 0.169 0.000 2.365 289 D HA 0.159 4.800 4.640 0.002 0.000 0.237 289 D C 0.207 176.728 176.300 0.368 0.000 1.190 289 D CA 0.122 54.308 54.000 0.310 0.000 0.867 289 D CB 2.007 43.064 40.800 0.429 0.000 1.050 289 D HN -0.029 nan 8.370 nan 0.000 0.491 290 V N 4.224 124.352 119.914 0.356 0.000 2.509 290 V HA -0.076 4.045 4.120 0.002 0.000 0.297 290 V C 1.149 177.259 176.094 0.028 0.000 1.014 290 V CA 0.099 62.515 62.300 0.194 0.000 1.127 290 V CB -0.121 31.778 31.823 0.126 0.000 0.925 290 V HN 0.350 nan 8.190 nan 0.000 0.480 291 L N 8.392 129.523 121.223 -0.153 0.000 2.476 291 L HA 0.361 4.702 4.340 0.002 0.000 0.255 291 L C -1.658 174.960 176.870 -0.420 0.000 1.218 291 L CA -1.216 53.363 54.840 -0.435 0.000 0.819 291 L CB 0.625 42.441 42.059 -0.405 0.000 1.119 291 L HN 0.492 nan 8.230 nan 0.000 0.485 292 P HA 0.341 nan 4.420 nan 0.000 0.285 292 P C -1.415 175.717 177.300 -0.281 0.000 1.285 292 P CA -0.634 62.220 63.100 -0.411 0.000 0.854 292 P CB 1.444 32.795 31.700 -0.580 0.000 1.180 293 L N 1.090 122.227 121.223 -0.144 0.000 2.295 293 L HA 0.414 4.755 4.340 0.002 0.000 0.285 293 L C 0.384 177.213 176.870 -0.068 0.000 1.035 293 L CA -0.798 53.999 54.840 -0.072 0.000 0.806 293 L CB 0.876 42.946 42.059 0.018 0.000 1.214 293 L HN 0.198 nan 8.230 nan 0.000 0.426 294 L N 5.458 126.617 121.223 -0.107 0.000 2.287 294 L HA 0.418 4.759 4.340 0.002 0.000 0.280 294 L C -0.448 176.300 176.870 -0.204 0.000 1.055 294 L CA -0.263 54.429 54.840 -0.246 0.000 0.863 294 L CB 0.627 42.438 42.059 -0.413 0.000 1.245 294 L HN 0.452 nan 8.230 nan 0.000 0.432 295 L N 3.606 124.780 121.223 -0.082 0.000 2.312 295 L HA 0.462 4.803 4.340 0.002 0.000 0.281 295 L C -0.072 176.714 176.870 -0.140 0.000 1.070 295 L CA -0.265 54.533 54.840 -0.070 0.000 0.805 295 L CB 1.476 43.505 42.059 -0.050 0.000 1.174 295 L HN 0.570 nan 8.230 nan 0.000 0.434 296 Q N 2.340 122.068 119.800 -0.120 0.000 2.321 296 Q HA 0.662 5.003 4.340 0.002 0.000 0.270 296 Q C -1.304 174.616 176.000 -0.133 0.000 1.032 296 Q CA -0.617 55.108 55.803 -0.129 0.000 0.784 296 Q CB 2.281 30.978 28.738 -0.069 0.000 1.264 296 Q HN 0.787 nan 8.270 nan 0.000 0.448 297 A N 4.846 127.542 122.820 -0.207 0.000 2.293 297 A HA 0.668 4.989 4.320 0.002 0.000 0.302 297 A C -2.433 174.890 177.584 -0.434 0.000 1.119 297 A CA -1.696 50.062 52.037 -0.465 0.000 0.823 297 A CB 0.262 19.089 19.000 -0.288 0.000 1.097 297 A HN 0.628 nan 8.150 nan 0.000 0.491 298 P HA -0.059 nan 4.420 nan 0.000 0.259 298 P C -0.640 176.563 177.300 -0.161 0.000 1.155 298 P CA 1.016 63.916 63.100 -0.334 0.000 0.759 298 P CB 0.058 31.562 31.700 -0.327 0.000 0.753 299 D N 0.350 120.703 120.400 -0.078 0.000 2.737 299 D HA -0.201 4.440 4.640 0.002 0.000 0.233 299 D C -0.094 176.190 176.300 -0.027 0.000 1.155 299 D CA 1.270 55.252 54.000 -0.029 0.000 0.667 299 D CB -0.583 40.204 40.800 -0.022 0.000 1.060 299 D HN 0.465 nan 8.370 nan 0.000 0.427 300 E N -0.681 119.495 120.200 -0.040 0.000 2.293 300 E HA 0.605 4.956 4.350 0.002 0.000 0.270 300 E C -0.066 176.515 176.600 -0.031 0.000 0.879 300 E CA -0.773 55.604 56.400 -0.039 0.000 0.756 300 E CB 1.850 31.510 29.700 -0.066 0.000 1.208 300 E HN 0.168 nan 8.360 nan 0.000 0.428 301 A N 4.233 127.041 122.820 -0.019 0.000 2.531 301 A HA 0.255 4.576 4.320 0.002 0.000 0.236 301 A C -1.886 175.610 177.584 -0.147 0.000 1.062 301 A CA -0.612 51.409 52.037 -0.026 0.000 0.760 301 A CB -0.600 18.407 19.000 0.012 0.000 0.995 301 A HN 0.286 nan 8.150 nan 0.000 0.501 302 P HA 0.146 nan 4.420 nan 0.000 0.270 302 P C -0.484 176.576 177.300 -0.400 0.000 1.223 302 P CA 0.174 62.929 63.100 -0.575 0.000 0.785 302 P CB 0.659 31.529 31.700 -1.383 0.000 0.923 303 E N 0.300 120.324 120.200 -0.294 0.000 2.235 303 E HA 0.478 4.829 4.350 0.002 0.000 0.265 303 E C -0.821 175.560 176.600 -0.366 0.000 0.940 303 E CA -1.074 55.153 56.400 -0.288 0.000 0.819 303 E CB 1.463 31.037 29.700 -0.210 0.000 1.206 303 E HN 0.255 nan 8.360 nan 0.000 0.409 304 L N 2.239 123.151 121.223 -0.518 0.000 2.295 304 L HA 0.465 4.806 4.340 0.002 0.000 0.285 304 L C -1.637 174.783 176.870 -0.751 0.000 1.035 304 L CA -0.042 54.534 54.840 -0.440 0.000 0.806 304 L CB 0.333 42.236 42.059 -0.260 0.000 1.214 304 L HN 0.403 nan 8.230 nan 0.000 0.426 305 F N 4.283 124.011 119.950 -0.369 0.000 2.562 305 F HA 0.434 4.962 4.527 0.002 0.000 0.319 305 F C -0.277 175.245 175.800 -0.463 0.000 1.154 305 F CA -0.853 56.780 58.000 -0.612 0.000 0.931 305 F CB 1.770 40.075 39.000 -1.159 0.000 1.198 305 F HN 0.038 nan 8.300 nan 0.000 0.444 306 V N 4.708 124.527 119.914 -0.159 0.000 2.583 306 V HA 0.241 4.362 4.120 0.002 0.000 0.287 306 V C 0.299 176.469 176.094 0.127 0.000 1.051 306 V CA -0.586 61.709 62.300 -0.008 0.000 1.010 306 V CB 1.317 33.180 31.823 0.065 0.000 0.988 306 V HN 0.536 nan 8.190 nan 0.000 0.478 307 L N 6.734 128.054 121.223 0.161 0.000 2.349 307 L HA 0.334 4.675 4.340 0.002 0.000 0.275 307 L C -2.177 174.801 176.870 0.179 0.000 1.115 307 L CA -1.609 53.377 54.840 0.243 0.000 0.820 307 L CB 0.891 43.031 42.059 0.136 0.000 1.135 307 L HN 0.449 nan 8.230 nan 0.000 0.445 308 P HA 0.107 nan 4.420 nan 0.000 0.269 308 P C -2.028 175.323 177.300 0.085 0.000 1.252 308 P CA -1.057 62.116 63.100 0.122 0.000 0.780 308 P CB 0.483 32.243 31.700 0.100 0.000 0.829 309 P HA -0.279 nan 4.420 nan 0.000 0.219 309 P C 1.328 178.661 177.300 0.055 0.000 1.151 309 P CA 1.501 64.643 63.100 0.071 0.000 0.850 309 P CB -0.133 31.609 31.700 0.071 0.000 0.784 310 E N -1.040 119.188 120.200 0.047 0.000 2.418 310 E HA -0.097 4.254 4.350 0.002 0.000 0.197 310 E C 1.589 178.208 176.600 0.031 0.000 1.026 310 E CA 0.823 57.244 56.400 0.035 0.000 0.862 310 E CB -0.879 28.838 29.700 0.029 0.000 0.799 310 E HN 0.235 nan 8.360 nan 0.000 0.518 311 L N 0.838 122.082 121.223 0.035 0.000 2.249 311 L HA 0.055 4.396 4.340 0.002 0.000 0.207 311 L C 0.970 177.861 176.870 0.035 0.000 1.090 311 L CA 0.605 55.462 54.840 0.028 0.000 0.802 311 L CB 0.254 42.323 42.059 0.017 0.000 0.947 311 L HN -0.119 nan 8.230 nan 0.000 0.453 312 V N 2.128 122.065 119.914 0.038 0.000 2.276 312 V HA 0.112 4.233 4.120 0.002 0.000 0.249 312 V C 0.263 176.392 176.094 0.058 0.000 1.160 312 V CA -0.705 61.618 62.300 0.038 0.000 1.042 312 V CB 0.168 32.005 31.823 0.022 0.000 1.224 312 V HN 0.055 nan 8.190 nan 0.000 0.496 313 L N 5.014 126.277 121.223 0.068 0.000 2.467 313 L HA 0.403 4.744 4.340 0.002 0.000 0.270 313 L C 0.173 177.090 176.870 0.078 0.000 1.205 313 L CA 0.696 55.570 54.840 0.057 0.000 0.828 313 L CB 0.413 42.502 42.059 0.050 0.000 1.101 313 L HN 0.671 nan 8.230 nan 0.000 0.479 314 E N 2.589 122.806 120.200 0.029 0.000 2.366 314 E HA 0.482 4.833 4.350 0.002 0.000 0.278 314 E C -1.625 174.921 176.600 -0.091 0.000 0.923 314 E CA -0.905 55.509 56.400 0.024 0.000 0.761 314 E CB 2.270 32.009 29.700 0.065 0.000 1.231 314 E HN 0.370 nan 8.360 nan 0.000 0.443 315 V N 2.865 122.682 119.914 -0.163 0.000 2.370 315 V HA 0.353 4.474 4.120 0.002 0.000 0.283 315 V C -2.389 173.621 176.094 -0.141 0.000 1.023 315 V CA -1.962 60.171 62.300 -0.279 0.000 0.857 315 V CB 1.224 32.604 31.823 -0.738 0.000 0.985 315 V HN 0.512 nan 8.190 nan 0.000 0.443 316 P HA 0.372 nan 4.420 nan 0.000 0.285 316 P C -0.714 176.583 177.300 -0.006 0.000 1.259 316 P CA -0.292 62.767 63.100 -0.069 0.000 0.794 316 P CB 0.698 32.367 31.700 -0.052 0.000 0.940 317 L N 3.621 124.876 121.223 0.054 0.000 2.292 317 L HA 0.480 4.821 4.340 0.002 0.000 0.284 317 L C 1.016 178.046 176.870 0.266 0.000 1.065 317 L CA -0.096 54.847 54.840 0.171 0.000 0.806 317 L CB 0.493 42.719 42.059 0.279 0.000 1.175 317 L HN 0.485 nan 8.230 nan 0.000 0.431 318 E N 2.073 122.394 120.200 0.203 0.000 2.429 318 E HA 0.404 4.755 4.350 0.002 0.000 0.276 318 E C -1.458 175.116 176.600 -0.044 0.000 0.953 318 E CA -0.945 55.578 56.400 0.206 0.000 0.787 318 E CB 2.292 32.085 29.700 0.155 0.000 1.307 318 E HN 0.482 nan 8.360 nan 0.000 0.458 319 H N 0.832 119.732 119.070 -0.283 0.000 2.492 319 H HA 0.275 4.832 4.556 0.002 0.000 0.345 319 H C -2.003 172.994 175.328 -0.552 0.000 1.136 319 H CA -2.031 53.692 56.048 -0.542 0.000 1.202 319 H CB 2.038 31.388 29.762 -0.687 0.000 1.524 319 H HN 0.340 nan 8.280 nan 0.000 0.506 320 P HA -0.169 nan 4.420 nan 0.000 0.216 320 P C 1.081 178.232 177.300 -0.248 0.000 1.157 320 P CA 2.821 65.468 63.100 -0.754 0.000 0.880 320 P CB 0.332 31.646 31.700 -0.643 0.000 0.791 321 T N -5.348 109.233 114.554 0.046 0.000 2.964 321 T HA 0.179 4.530 4.350 0.002 0.000 0.249 321 T C 0.781 175.421 174.700 -0.100 0.000 1.000 321 T CA -0.144 61.953 62.100 -0.005 0.000 0.992 321 T CB -0.681 68.194 68.868 0.011 0.000 1.087 321 T HN -0.097 nan 8.240 nan 0.000 0.489 322 L N 3.608 124.676 121.223 -0.258 0.000 2.448 322 L HA 0.269 4.610 4.340 0.002 0.000 0.278 322 L C 1.583 178.083 176.870 -0.618 0.000 1.201 322 L CA -0.496 53.921 54.840 -0.704 0.000 1.036 322 L CB 0.261 41.468 42.059 -1.421 0.000 1.325 322 L HN 0.362 nan 8.230 nan 0.000 0.441 323 E N 2.679 122.694 120.200 -0.309 0.000 2.136 323 E HA -0.285 4.066 4.350 0.002 0.000 0.202 323 E C 1.725 178.285 176.600 -0.066 0.000 1.019 323 E CA 1.961 58.290 56.400 -0.118 0.000 0.819 323 E CB -0.397 29.308 29.700 0.007 0.000 0.739 323 E HN 0.771 nan 8.360 nan 0.000 0.458 324 W N -0.033 121.309 121.300 0.070 0.000 2.525 324 W HA 0.050 4.711 4.660 0.002 0.000 0.259 324 W C 1.431 177.999 176.519 0.082 0.000 1.253 324 W CA 0.041 57.420 57.345 0.056 0.000 1.262 324 W CB -0.995 28.477 29.460 0.020 0.000 1.122 324 W HN -0.016 nan 8.180 nan 0.000 0.607 325 F N 2.982 122.705 119.950 -0.378 0.000 2.043 325 F HA -0.211 4.317 4.527 0.002 0.000 0.297 325 F C 2.840 178.670 175.800 0.049 0.000 1.121 325 F CA 3.449 61.343 58.000 -0.178 0.000 1.199 325 F CB -0.799 37.989 39.000 -0.354 0.000 0.968 325 F HN -0.071 nan 8.300 nan 0.000 0.478 326 A N 0.141 123.108 122.820 0.244 0.000 1.997 326 A HA -0.231 4.090 4.320 0.002 0.000 0.221 326 A C 2.312 179.949 177.584 0.089 0.000 1.172 326 A CA 1.924 54.062 52.037 0.167 0.000 0.645 326 A CB -1.619 17.457 19.000 0.127 0.000 0.813 326 A HN 0.548 nan 8.150 nan 0.000 0.454 327 A N -0.175 122.707 122.820 0.103 0.000 2.024 327 A HA -0.064 4.257 4.320 0.002 0.000 0.220 327 A C 1.938 179.554 177.584 0.053 0.000 1.164 327 A CA 1.419 53.509 52.037 0.089 0.000 0.643 327 A CB -0.583 18.496 19.000 0.131 0.000 0.806 327 A HN 0.527 nan 8.150 nan 0.000 0.451 328 L N -0.947 120.279 121.223 0.005 0.000 2.450 328 L HA -0.027 4.314 4.340 0.002 0.000 0.224 328 L C 1.738 178.615 176.870 0.011 0.000 1.149 328 L CA 0.700 55.517 54.840 -0.038 0.000 0.816 328 L CB -1.277 40.654 42.059 -0.213 0.000 0.932 328 L HN 0.613 nan 8.230 nan 0.000 0.449 329 G N 1.263 110.072 108.800 0.016 0.000 2.305 329 G HA2 -0.291 3.670 3.960 0.002 0.000 0.287 329 G HA3 -0.291 3.670 3.960 0.002 0.000 0.287 329 G C 0.154 175.036 174.900 -0.030 0.000 1.036 329 G CA 0.061 45.174 45.100 0.021 0.000 0.887 329 G HN 0.296 nan 8.290 nan 0.000 0.505 330 L N -0.361 120.826 121.223 -0.061 0.000 2.375 330 L HA 0.775 5.116 4.340 0.002 0.000 0.271 330 L C 1.042 177.695 176.870 -0.361 0.000 1.107 330 L CA -0.728 54.005 54.840 -0.178 0.000 0.806 330 L CB 1.107 43.192 42.059 0.042 0.000 1.146 330 L HN 0.579 nan 8.230 nan 0.000 0.447 331 R N 1.934 121.970 120.500 -0.773 0.000 2.692 331 R HA 0.521 4.862 4.340 0.002 0.000 0.269 331 R C -2.163 174.014 176.300 -0.206 0.000 1.030 331 R CA -0.983 54.834 56.100 -0.471 0.000 0.882 331 R CB 1.940 31.901 30.300 -0.565 0.000 1.250 331 R HN 0.636 nan 8.270 nan 0.000 0.465 332 W N 2.568 123.825 121.300 -0.072 0.000 3.213 332 W HA 0.325 4.987 4.660 0.002 0.000 0.318 332 W C -1.196 175.426 176.519 0.171 0.000 1.248 332 W CA -1.058 56.359 57.345 0.121 0.000 1.187 332 W CB 1.880 31.319 29.460 -0.035 0.000 1.403 332 W HN 0.720 nan 8.180 nan 0.000 0.556 333 Y N 1.240 121.446 120.300 -0.156 0.000 2.314 333 Y HA 0.541 5.092 4.550 0.002 0.000 0.334 333 Y C 0.807 176.979 175.900 0.453 0.000 1.266 333 Y CA 0.243 58.388 58.100 0.074 0.000 1.391 333 Y CB 0.226 38.611 38.460 -0.126 0.000 1.306 333 Y HN 0.339 nan 8.280 nan 0.000 0.558 334 A N 1.835 124.957 122.820 0.504 0.000 1.975 334 A HA 0.092 4.413 4.320 0.002 0.000 0.215 334 A C 0.535 178.469 177.584 0.583 0.000 1.170 334 A CA 0.236 52.601 52.037 0.547 0.000 0.656 334 A CB -0.289 18.881 19.000 0.283 0.000 0.821 334 A HN 0.670 nan 8.150 nan 0.000 0.449 335 L N 2.330 123.865 121.223 0.519 0.000 2.259 335 L HA 0.370 4.711 4.340 0.002 0.000 0.288 335 L C -2.480 174.566 176.870 0.295 0.000 1.051 335 L CA -2.111 52.936 54.840 0.346 0.000 0.824 335 L CB 1.323 43.513 42.059 0.219 0.000 1.206 335 L HN 0.009 nan 8.230 nan 0.000 0.429 336 P HA 0.317 nan 4.420 nan 0.000 0.288 336 P C -1.379 175.840 177.300 -0.135 0.000 1.363 336 P CA -0.301 62.662 63.100 -0.228 0.000 0.837 336 P CB 1.264 32.448 31.700 -0.861 0.000 0.981 337 A N 4.557 127.310 122.820 -0.111 0.000 2.522 337 A HA 0.419 4.740 4.320 0.002 0.000 0.285 337 A C -0.218 177.163 177.584 -0.340 0.000 1.198 337 A CA -0.639 51.261 52.037 -0.227 0.000 0.742 337 A CB 0.906 19.787 19.000 -0.198 0.000 1.176 337 A HN 0.286 nan 8.150 nan 0.000 0.444 338 V N 2.502 122.052 119.914 -0.607 0.000 2.715 338 V HA 0.297 4.418 4.120 0.002 0.000 0.299 338 V C 1.204 176.961 176.094 -0.561 0.000 1.054 338 V CA 1.234 63.165 62.300 -0.616 0.000 1.077 338 V CB 1.411 32.695 31.823 -0.897 0.000 0.972 338 V HN 1.153 nan 8.190 nan 0.000 0.484 339 S N 0.917 116.457 115.700 -0.265 0.000 2.817 339 S HA 0.062 4.533 4.470 0.002 0.000 0.262 339 S C 0.684 175.282 174.600 -0.004 0.000 1.051 339 S CA -0.060 58.066 58.200 -0.124 0.000 1.185 339 S CB -0.074 63.084 63.200 -0.069 0.000 1.152 339 S HN 0.819 nan 8.310 nan 0.000 0.653 340 N N 1.076 119.777 118.700 0.001 0.000 2.204 340 N HA 0.328 5.069 4.740 0.002 0.000 0.219 340 N C -0.030 175.539 175.510 0.098 0.000 1.151 340 N CA -0.323 52.766 53.050 0.066 0.000 0.867 340 N CB -0.158 38.371 38.487 0.069 0.000 1.043 340 N HN 0.362 nan 8.380 nan 0.000 0.516 341 M N 0.557 120.221 119.600 0.106 0.000 2.494 341 M HA 0.384 4.865 4.480 0.002 0.000 0.300 341 M C -0.501 175.940 176.300 0.234 0.000 1.189 341 M CA -0.938 54.471 55.300 0.181 0.000 0.982 341 M CB 2.132 34.858 32.600 0.210 0.000 1.534 341 M HN 0.089 nan 8.290 nan 0.000 0.488 342 L N 2.279 123.638 121.223 0.227 0.000 2.329 342 L HA 0.593 4.934 4.340 0.002 0.000 0.279 342 L C -1.591 175.410 176.870 0.218 0.000 1.014 342 L CA -0.990 53.975 54.840 0.209 0.000 0.814 342 L CB 1.498 43.628 42.059 0.119 0.000 1.257 342 L HN 0.598 nan 8.230 nan 0.000 0.424 343 L N 4.868 126.214 121.223 0.204 0.000 2.264 343 L HA 0.484 4.825 4.340 0.002 0.000 0.289 343 L C -0.556 176.329 176.870 0.025 0.000 1.044 343 L CA 0.295 55.127 54.840 -0.013 0.000 0.807 343 L CB 1.162 43.190 42.059 -0.052 0.000 1.192 343 L HN 0.677 nan 8.230 nan 0.000 0.425 344 E N 6.776 126.903 120.200 -0.122 0.000 2.155 344 E HA 0.395 4.746 4.350 0.002 0.000 0.264 344 E C -1.623 174.882 176.600 -0.158 0.000 0.886 344 E CA -0.416 55.935 56.400 -0.081 0.000 0.752 344 E CB 1.049 30.701 29.700 -0.080 0.000 1.133 344 E HN 0.723 nan 8.360 nan 0.000 0.414 345 I N 2.031 122.516 120.570 -0.143 0.000 2.498 345 I HA 0.305 4.476 4.170 0.002 0.000 0.290 345 I C 0.998 176.910 176.117 -0.341 0.000 1.032 345 I CA -0.952 60.126 61.300 -0.370 0.000 1.073 345 I CB 2.082 39.768 38.000 -0.524 0.000 1.251 345 I HN 0.757 nan 8.210 nan 0.000 0.426 346 G N 4.148 112.743 108.800 -0.341 0.000 2.450 346 G HA2 -0.134 3.827 3.960 0.002 0.000 0.302 346 G HA3 -0.134 3.827 3.960 0.002 0.000 0.302 346 G C 1.073 176.046 174.900 0.121 0.000 0.957 346 G CA 1.054 46.173 45.100 0.030 0.000 1.005 346 G HN 1.570 nan 8.290 nan 0.000 0.514 347 G N -1.945 106.868 108.800 0.023 0.000 2.253 347 G HA2 -0.268 3.693 3.960 0.002 0.000 0.251 347 G HA3 -0.268 3.693 3.960 0.002 0.000 0.251 347 G C 0.547 175.403 174.900 -0.075 0.000 0.998 347 G CA 0.433 45.545 45.100 0.020 0.000 0.621 347 G HN 1.214 nan 8.290 nan 0.000 0.524 348 L N 1.070 122.199 121.223 -0.157 0.000 2.371 348 L HA 0.519 4.860 4.340 0.002 0.000 0.272 348 L C 0.360 177.033 176.870 -0.329 0.000 1.124 348 L CA -0.242 54.394 54.840 -0.340 0.000 0.816 348 L CB 0.957 42.731 42.059 -0.476 0.000 1.129 348 L HN 0.212 nan 8.230 nan 0.000 0.448 349 E N 2.842 122.774 120.200 -0.447 0.000 2.158 349 E HA 0.386 4.737 4.350 0.002 0.000 0.271 349 E C -1.475 174.803 176.600 -0.536 0.000 0.911 349 E CA -0.469 55.740 56.400 -0.318 0.000 0.767 349 E CB 1.771 31.369 29.700 -0.169 0.000 1.120 349 E HN 0.265 nan 8.360 nan 0.000 0.405 350 F N 1.772 121.689 119.950 -0.054 0.000 2.325 350 F HA 0.099 4.627 4.527 0.002 0.000 0.369 350 F C 1.444 177.278 175.800 0.058 0.000 1.095 350 F CA -0.494 57.501 58.000 -0.008 0.000 1.082 350 F CB 1.360 40.340 39.000 -0.033 0.000 1.289 350 F HN 0.429 nan 8.300 nan 0.000 0.462 351 S N 1.502 117.299 115.700 0.162 0.000 2.522 351 S HA 0.269 4.740 4.470 0.002 0.000 0.227 351 S C 0.779 175.514 174.600 0.224 0.000 0.986 351 S CA 0.331 58.631 58.200 0.168 0.000 0.929 351 S CB 0.090 63.368 63.200 0.130 0.000 0.769 351 S HN 0.532 nan 8.310 nan 0.000 0.529 352 A N 0.622 123.620 122.820 0.297 0.000 2.702 352 A HA 0.809 5.130 4.320 0.002 0.000 0.305 352 A C -0.202 177.651 177.584 0.447 0.000 1.213 352 A CA -0.179 52.066 52.037 0.346 0.000 0.745 352 A CB 0.638 19.825 19.000 0.311 0.000 1.161 352 A HN 0.796 nan 8.150 nan 0.000 0.445 353 A N 3.918 126.942 122.820 0.341 0.000 3.216 353 A HA 0.681 5.002 4.320 0.002 0.000 0.321 353 A C -2.872 174.883 177.584 0.284 0.000 1.042 353 A CA -1.231 50.973 52.037 0.277 0.000 0.838 353 A CB 0.371 19.535 19.000 0.274 0.000 1.136 353 A HN 0.481 nan 8.150 nan 0.000 0.483 354 P HA 0.387 nan 4.420 nan 0.000 0.268 354 P C -0.816 176.563 177.300 0.130 0.000 1.205 354 P CA 0.461 63.573 63.100 0.021 0.000 0.771 354 P CB 0.334 32.014 31.700 -0.033 0.000 0.858 355 F N -0.434 119.494 119.950 -0.037 0.000 2.613 355 F HA 0.770 5.298 4.527 0.002 0.000 0.310 355 F C -0.850 174.884 175.800 -0.110 0.000 1.085 355 F CA -1.145 56.830 58.000 -0.042 0.000 0.945 355 F CB 1.549 40.404 39.000 -0.242 0.000 1.298 355 F HN 0.442 nan 8.300 nan 0.000 0.455 356 S N 0.250 116.064 115.700 0.191 0.000 2.596 356 S HA 0.951 5.422 4.470 0.002 0.000 0.270 356 S C -0.779 173.783 174.600 -0.063 0.000 1.155 356 S CA -0.197 58.032 58.200 0.048 0.000 0.827 356 S CB 1.470 64.757 63.200 0.144 0.000 1.130 356 S HN 1.574 nan 8.310 nan 0.000 0.467 357 G N -0.284 108.437 108.800 -0.132 0.000 3.420 357 G HA2 0.689 4.650 3.960 0.002 0.000 0.183 357 G HA3 0.689 4.650 3.960 0.002 0.000 0.183 357 G C -1.651 173.263 174.900 0.023 0.000 1.315 357 G CA -0.119 44.834 45.100 -0.244 0.000 0.958 357 G HN 1.258 nan 8.290 nan 0.000 0.745 358 W N -1.135 120.172 121.300 0.013 0.000 3.217 358 W HA 0.797 5.458 4.660 0.002 0.000 0.323 358 W C -1.668 174.853 176.519 0.004 0.000 1.216 358 W CA -2.286 55.081 57.345 0.037 0.000 1.194 358 W CB 0.310 29.829 29.460 0.099 0.000 1.397 358 W HN 0.399 nan 8.180 nan 0.000 0.537 359 Y N 2.998 123.458 120.300 0.266 0.000 2.578 359 Y HA 0.170 4.721 4.550 0.002 0.000 0.339 359 Y C 0.905 176.841 175.900 0.059 0.000 1.231 359 Y CA -0.116 58.023 58.100 0.065 0.000 1.461 359 Y CB 0.856 39.249 38.460 -0.111 0.000 1.323 359 Y HN 0.508 nan 8.280 nan 0.000 0.590 360 M N 2.582 122.317 119.600 0.224 0.000 2.180 360 M HA 0.190 4.671 4.480 0.002 0.000 0.350 360 M C 1.122 177.411 176.300 -0.018 0.000 1.125 360 M CA -0.303 55.063 55.300 0.110 0.000 1.031 360 M CB 1.131 33.779 32.600 0.080 0.000 1.623 360 M HN 0.866 nan 8.290 nan 0.000 0.451 361 S N 1.598 117.246 115.700 -0.086 0.000 2.389 361 S HA -0.243 4.228 4.470 0.002 0.000 0.231 361 S C 1.515 175.981 174.600 -0.223 0.000 1.052 361 S CA 2.447 60.526 58.200 -0.203 0.000 1.053 361 S CB -1.560 61.570 63.200 -0.117 0.000 0.886 361 S HN 0.929 nan 8.310 nan 0.000 0.456 362 T N 0.112 114.567 114.554 -0.165 0.000 2.929 362 T HA -0.065 4.286 4.350 0.002 0.000 0.271 362 T C 1.530 176.080 174.700 -0.250 0.000 1.085 362 T CA 1.354 63.306 62.100 -0.247 0.000 1.125 362 T CB -0.632 68.043 68.868 -0.322 0.000 0.874 362 T HN 0.663 nan 8.240 nan 0.000 0.494 363 E N 0.734 120.806 120.200 -0.215 0.000 2.106 363 E HA 0.024 4.375 4.350 0.002 0.000 0.192 363 E C 2.009 178.351 176.600 -0.429 0.000 0.984 363 E CA 1.120 57.396 56.400 -0.206 0.000 0.806 363 E CB -0.210 29.503 29.700 0.021 0.000 0.750 363 E HN 0.606 nan 8.360 nan 0.000 0.458 364 I N 0.119 120.319 120.570 -0.618 0.000 2.364 364 I HA -0.023 4.148 4.170 0.002 0.000 0.241 364 I C 2.569 178.367 176.117 -0.531 0.000 1.082 364 I CA 0.854 61.633 61.300 -0.869 0.000 1.401 364 I CB -0.517 36.876 38.000 -1.011 0.000 1.126 364 I HN 0.082 nan 8.210 nan 0.000 0.429 365 G N 0.128 108.710 108.800 -0.364 0.000 2.448 365 G HA2 -0.148 3.813 3.960 0.002 0.000 0.219 365 G HA3 -0.148 3.813 3.960 0.002 0.000 0.219 365 G C 1.559 176.357 174.900 -0.170 0.000 1.127 365 G CA 1.471 46.446 45.100 -0.209 0.000 0.766 365 G HN 0.303 nan 8.290 nan 0.000 0.552 366 T N -0.387 114.039 114.554 -0.214 0.000 3.156 366 T HA 0.121 4.472 4.350 0.002 0.000 0.236 366 T C 2.497 177.095 174.700 -0.171 0.000 0.978 366 T CA 0.068 62.062 62.100 -0.178 0.000 1.240 366 T CB 0.112 68.854 68.868 -0.210 0.000 0.951 366 T HN -0.015 nan 8.240 nan 0.000 0.420 367 R N 2.096 122.473 120.500 -0.204 0.000 2.055 367 R HA 0.136 4.477 4.340 0.002 0.000 0.228 367 R C 2.133 178.320 176.300 -0.188 0.000 1.143 367 R CA 1.140 57.130 56.100 -0.184 0.000 0.945 367 R CB -1.141 29.050 30.300 -0.181 0.000 0.841 367 R HN 0.327 nan 8.270 nan 0.000 0.429 368 N N 0.859 119.396 118.700 -0.272 0.000 2.188 368 N HA -0.077 4.664 4.740 0.002 0.000 0.184 368 N C 1.933 177.377 175.510 -0.111 0.000 1.018 368 N CA 1.026 53.914 53.050 -0.270 0.000 0.858 368 N CB -0.144 37.877 38.487 -0.776 0.000 0.989 368 N HN 0.200 nan 8.380 nan 0.000 0.426 369 L N -0.861 120.262 121.223 -0.167 0.000 2.354 369 L HA 0.113 4.454 4.340 0.002 0.000 0.212 369 L C 1.267 178.174 176.870 0.061 0.000 1.091 369 L CA 0.319 55.157 54.840 -0.003 0.000 0.828 369 L CB 0.265 42.301 42.059 -0.037 0.000 0.973 369 L HN 0.128 nan 8.230 nan 0.000 0.461 370 C N -1.365 117.931 119.300 -0.008 0.000 3.070 370 C HA 0.182 4.643 4.460 0.002 0.000 0.280 370 C C 0.656 175.641 174.990 -0.009 0.000 1.264 370 C CA -0.864 58.160 59.018 0.011 0.000 1.690 370 C CB -0.377 27.356 27.740 -0.011 0.000 2.049 370 C HN 0.282 nan 8.230 nan 0.000 0.636 371 D N 2.953 123.319 120.400 -0.058 0.000 2.443 371 D HA 0.069 4.710 4.640 0.002 0.000 0.239 371 D C -1.032 175.249 176.300 -0.032 0.000 1.136 371 D CA -1.471 52.476 54.000 -0.088 0.000 0.879 371 D CB 0.743 41.362 40.800 -0.303 0.000 1.195 371 D HN 0.171 nan 8.370 nan 0.000 0.443 372 P HA -0.175 nan 4.420 nan 0.000 0.216 372 P C 0.728 178.109 177.300 0.134 0.000 1.150 372 P CA 1.434 64.606 63.100 0.121 0.000 0.837 372 P CB -0.009 31.780 31.700 0.148 0.000 0.786 373 H N -2.296 116.786 119.070 0.020 0.000 2.519 373 H HA 0.357 4.914 4.556 0.002 0.000 0.289 373 H C 0.856 176.195 175.328 0.017 0.000 1.040 373 H CA -0.313 55.743 56.048 0.014 0.000 1.165 373 H CB -0.084 29.685 29.762 0.011 0.000 1.462 373 H HN -0.031 nan 8.280 nan 0.000 0.555 374 R N -0.257 120.121 120.500 -0.204 0.000 3.310 374 R HA 0.182 4.523 4.340 0.002 0.000 0.214 374 R C 1.030 177.313 176.300 -0.029 0.000 1.680 374 R CA -0.867 55.165 56.100 -0.113 0.000 0.927 374 R CB -0.774 29.477 30.300 -0.082 0.000 2.186 374 R HN 0.061 nan 8.270 nan 0.000 0.538 375 Y N 1.495 121.812 120.300 0.028 0.000 2.315 375 Y HA -0.192 4.359 4.550 0.002 0.000 0.288 375 Y C 0.871 176.798 175.900 0.046 0.000 1.154 375 Y CA 1.468 59.600 58.100 0.054 0.000 1.229 375 Y CB -0.464 38.070 38.460 0.124 0.000 0.980 375 Y HN 0.569 nan 8.280 nan 0.000 0.540 376 N N 0.494 119.291 118.700 0.162 0.000 2.686 376 N HA -0.233 4.508 4.740 0.002 0.000 0.261 376 N C 0.243 175.840 175.510 0.145 0.000 1.001 376 N CA 0.797 53.918 53.050 0.119 0.000 0.764 376 N CB -1.355 37.183 38.487 0.084 0.000 0.898 376 N HN 0.656 nan 8.380 nan 0.000 0.544 377 I N -3.223 117.449 120.570 0.169 0.000 3.812 377 I HA 0.110 4.281 4.170 0.002 0.000 0.320 377 I C 1.490 177.708 176.117 0.169 0.000 1.276 377 I CA -0.455 60.943 61.300 0.164 0.000 1.164 377 I CB -0.097 38.008 38.000 0.175 0.000 1.009 377 I HN 0.131 nan 8.210 nan 0.000 0.431 378 L N 1.831 123.164 121.223 0.183 0.000 1.990 378 L HA -0.238 4.103 4.340 0.002 0.000 0.213 378 L C 2.597 179.679 176.870 0.353 0.000 1.072 378 L CA 2.245 57.233 54.840 0.246 0.000 0.755 378 L CB -0.907 41.274 42.059 0.204 0.000 0.889 378 L HN 0.499 nan 8.230 nan 0.000 0.432 379 E N -1.053 119.343 120.200 0.327 0.000 2.085 379 E HA -0.241 4.110 4.350 0.002 0.000 0.194 379 E C 1.784 178.407 176.600 0.038 0.000 0.994 379 E CA 1.408 57.908 56.400 0.167 0.000 0.801 379 E CB 0.012 29.753 29.700 0.067 0.000 0.743 379 E HN 0.505 nan 8.360 nan 0.000 0.453 380 D N -0.035 120.399 120.400 0.055 0.000 2.092 380 D HA -0.173 4.468 4.640 0.002 0.000 0.193 380 D C 2.089 178.386 176.300 -0.005 0.000 0.994 380 D CA 1.575 55.577 54.000 0.003 0.000 0.828 380 D CB -0.363 40.450 40.800 0.023 0.000 0.963 380 D HN 0.142 nan 8.370 nan 0.000 0.450 381 V N 1.673 121.646 119.914 0.098 0.000 2.392 381 V HA -0.248 3.873 4.120 0.002 0.000 0.249 381 V C 2.588 178.764 176.094 0.138 0.000 1.059 381 V CA 1.804 64.219 62.300 0.192 0.000 1.051 381 V CB -0.937 31.091 31.823 0.342 0.000 0.658 381 V HN 0.179 nan 8.190 nan 0.000 0.455 382 A N -0.085 122.824 122.820 0.147 0.000 1.877 382 A HA -0.160 4.161 4.320 0.002 0.000 0.216 382 A C 2.408 179.945 177.584 -0.078 0.000 1.186 382 A CA 2.151 54.257 52.037 0.114 0.000 0.620 382 A CB -0.721 18.379 19.000 0.166 0.000 0.822 382 A HN 0.342 nan 8.150 nan 0.000 0.443 383 V N -0.952 118.867 119.914 -0.159 0.000 2.427 383 V HA -0.292 3.829 4.120 0.002 0.000 0.248 383 V C 2.611 178.534 176.094 -0.284 0.000 1.051 383 V CA 1.966 64.137 62.300 -0.216 0.000 1.048 383 V CB -0.958 30.744 31.823 -0.201 0.000 0.666 383 V HN 0.716 nan 8.190 nan 0.000 0.456 384 C N -0.489 118.574 119.300 -0.395 0.000 2.435 384 C HA -0.095 4.366 4.460 0.002 0.000 0.279 384 C C 2.604 177.098 174.990 -0.827 0.000 1.321 384 C CA 0.822 59.352 59.018 -0.814 0.000 1.752 384 C CB -0.941 26.023 27.740 -1.293 0.000 1.959 384 C HN 0.516 nan 8.230 nan 0.000 0.500 385 M N 0.367 119.752 119.600 -0.359 0.000 2.659 385 M HA 0.011 4.493 4.480 0.002 0.000 0.243 385 M C 0.481 176.751 176.300 -0.050 0.000 1.111 385 M CA 0.828 56.117 55.300 -0.017 0.000 1.070 385 M CB -0.402 32.314 32.600 0.193 0.000 1.525 385 M HN 0.258 nan 8.290 nan 0.000 0.517 386 D N 1.743 122.055 120.400 -0.147 0.000 2.705 386 D HA -0.164 4.477 4.640 0.002 0.000 0.240 386 D C -1.088 175.176 176.300 -0.060 0.000 1.137 386 D CA 0.586 54.518 54.000 -0.113 0.000 0.677 386 D CB -0.995 39.750 40.800 -0.091 0.000 1.049 386 D HN 0.314 nan 8.370 nan 0.000 0.427 387 L N 0.032 121.218 121.223 -0.061 0.000 2.352 387 L HA 0.375 4.716 4.340 0.002 0.000 0.269 387 L C 1.033 177.844 176.870 -0.098 0.000 1.034 387 L CA -0.941 53.889 54.840 -0.017 0.000 0.806 387 L CB 0.943 43.053 42.059 0.085 0.000 1.244 387 L HN -0.034 nan 8.230 nan 0.000 0.447 388 D N 0.970 121.344 120.400 -0.042 0.000 2.455 388 D HA -0.009 4.632 4.640 0.002 0.000 0.234 388 D C 0.939 177.109 176.300 -0.217 0.000 1.224 388 D CA -0.044 53.906 54.000 -0.083 0.000 0.999 388 D CB 0.748 41.553 40.800 0.009 0.000 1.072 388 D HN 0.628 nan 8.370 nan 0.000 0.514 389 T N 0.553 114.798 114.554 -0.516 0.000 3.219 389 T HA 0.092 4.443 4.350 0.002 0.000 0.249 389 T C 1.507 175.960 174.700 -0.411 0.000 1.099 389 T CA -0.060 61.401 62.100 -1.064 0.000 0.988 389 T CB 0.063 68.170 68.868 -1.269 0.000 0.999 389 T HN 0.244 nan 8.240 nan 0.000 0.550 390 R N 0.483 120.881 120.500 -0.170 0.000 2.090 390 R HA 0.113 4.454 4.340 0.002 0.000 0.228 390 R C 1.222 177.556 176.300 0.056 0.000 1.110 390 R CA 0.987 57.058 56.100 -0.047 0.000 0.973 390 R CB -0.176 30.104 30.300 -0.033 0.000 0.869 390 R HN 0.400 nan 8.270 nan 0.000 0.440 391 T N -1.403 113.228 114.554 0.128 0.000 2.906 391 T HA 0.151 4.502 4.350 0.002 0.000 0.295 391 T C 1.150 176.029 174.700 0.298 0.000 1.075 391 T CA -0.475 61.731 62.100 0.176 0.000 1.005 391 T CB 1.939 70.873 68.868 0.110 0.000 1.136 391 T HN 0.230 nan 8.240 nan 0.000 0.498 392 T N 0.103 114.771 114.554 0.191 0.000 2.812 392 T HA -0.064 4.287 4.350 0.002 0.000 0.264 392 T C 2.103 176.836 174.700 0.056 0.000 1.042 392 T CA 1.542 63.703 62.100 0.101 0.000 1.140 392 T CB -0.892 67.996 68.868 0.033 0.000 0.870 392 T HN 0.681 nan 8.240 nan 0.000 0.445 393 S N 2.281 118.020 115.700 0.066 0.000 2.584 393 S HA -0.077 4.394 4.470 0.002 0.000 0.240 393 S C 2.028 176.667 174.600 0.065 0.000 0.975 393 S CA 0.885 59.113 58.200 0.047 0.000 0.949 393 S CB -0.985 62.240 63.200 0.041 0.000 0.761 393 S HN 0.770 nan 8.310 nan 0.000 0.536 394 S N 1.413 117.185 115.700 0.121 0.000 2.593 394 S HA 0.264 4.735 4.470 0.002 0.000 0.217 394 S C 0.887 175.562 174.600 0.125 0.000 0.966 394 S CA -0.037 58.246 58.200 0.139 0.000 0.914 394 S CB -0.959 62.361 63.200 0.201 0.000 0.776 394 S HN 0.607 nan 8.310 nan 0.000 0.523 395 L N 1.032 122.286 121.223 0.052 0.000 3.737 395 L HA -0.181 4.160 4.340 0.002 0.000 0.418 395 L C 1.621 178.493 176.870 0.003 0.000 1.216 395 L CA 0.734 55.552 54.840 -0.036 0.000 0.915 395 L CB -2.409 39.644 42.059 -0.009 0.000 1.834 395 L HN 0.751 nan 8.230 nan 0.000 0.943 396 W N -0.235 121.078 121.300 0.022 0.000 2.402 396 W HA -0.105 4.556 4.660 0.001 0.000 0.286 396 W C 1.728 178.268 176.519 0.034 0.000 1.221 396 W CA 1.079 58.440 57.345 0.028 0.000 1.257 396 W CB -0.583 28.890 29.460 0.021 0.000 1.120 396 W HN 0.277 nan 8.180 nan 0.000 0.551 397 K N 1.201 121.166 120.400 -0.725 0.000 2.001 397 K HA -0.158 4.163 4.320 0.002 0.000 0.208 397 K C 1.543 178.005 176.600 -0.230 0.000 1.048 397 K CA 2.370 58.256 56.287 -0.669 0.000 0.932 397 K CB -0.381 31.569 32.500 -0.916 0.000 0.715 397 K HN 0.005 nan 8.250 nan 0.000 0.437 398 D N 0.703 120.988 120.400 -0.191 0.000 2.149 398 D HA -0.138 4.503 4.640 0.002 0.000 0.198 398 D C 1.651 177.943 176.300 -0.013 0.000 0.990 398 D CA 1.215 55.161 54.000 -0.089 0.000 0.839 398 D CB 0.007 40.761 40.800 -0.076 0.000 0.948 398 D HN 0.130 nan 8.370 nan 0.000 0.460 399 K N 0.348 120.764 120.400 0.027 0.000 2.025 399 K HA 0.001 4.322 4.320 0.002 0.000 0.207 399 K C 2.218 178.891 176.600 0.122 0.000 1.049 399 K CA 1.138 57.477 56.287 0.086 0.000 0.933 399 K CB -0.149 32.425 32.500 0.123 0.000 0.714 399 K HN 0.108 nan 8.250 nan 0.000 0.438 400 A N 1.437 124.353 122.820 0.160 0.000 1.930 400 A HA -0.088 4.233 4.320 0.002 0.000 0.217 400 A C 2.350 180.029 177.584 0.158 0.000 1.175 400 A CA 1.721 53.884 52.037 0.211 0.000 0.627 400 A CB -0.648 18.520 19.000 0.280 0.000 0.815 400 A HN 0.336 nan 8.150 nan 0.000 0.443 401 A N -0.387 122.482 122.820 0.082 0.000 1.908 401 A HA -0.078 4.243 4.320 0.002 0.000 0.218 401 A C 2.215 179.820 177.584 0.035 0.000 1.181 401 A CA 1.991 54.049 52.037 0.035 0.000 0.627 401 A CB -1.001 17.981 19.000 -0.029 0.000 0.818 401 A HN 0.436 nan 8.150 nan 0.000 0.445 402 V N 0.277 120.217 119.914 0.044 0.000 2.407 402 V HA -0.190 3.931 4.120 0.002 0.000 0.248 402 V C 2.466 178.598 176.094 0.063 0.000 1.055 402 V CA 2.033 64.362 62.300 0.048 0.000 1.049 402 V CB -0.710 31.147 31.823 0.058 0.000 0.662 402 V HN 0.521 nan 8.190 nan 0.000 0.455 403 E N -0.004 120.263 120.200 0.112 0.000 2.152 403 E HA -0.070 4.281 4.350 0.002 0.000 0.192 403 E C 2.132 178.767 176.600 0.059 0.000 0.983 403 E CA 1.024 57.518 56.400 0.157 0.000 0.818 403 E CB -0.193 29.633 29.700 0.211 0.000 0.758 403 E HN 0.586 nan 8.360 nan 0.000 0.467 404 I N 1.197 121.828 120.570 0.101 0.000 2.252 404 I HA -0.248 3.923 4.170 0.002 0.000 0.245 404 I C 1.714 177.814 176.117 -0.029 0.000 1.102 404 I CA 0.954 62.309 61.300 0.093 0.000 1.385 404 I CB -0.285 37.833 38.000 0.196 0.000 1.064 404 I HN 0.020 nan 8.210 nan 0.000 0.414 405 N N 0.697 119.377 118.700 -0.033 0.000 2.188 405 N HA -0.161 4.580 4.740 0.002 0.000 0.184 405 N C 1.699 177.162 175.510 -0.077 0.000 1.018 405 N CA 0.818 53.830 53.050 -0.065 0.000 0.858 405 N CB -0.171 38.290 38.487 -0.043 0.000 0.989 405 N HN 0.142 nan 8.380 nan 0.000 0.426 406 L N 0.604 121.771 121.223 -0.093 0.000 2.083 406 L HA -0.018 4.323 4.340 0.002 0.000 0.209 406 L C 1.974 178.692 176.870 -0.254 0.000 1.083 406 L CA 1.298 56.041 54.840 -0.161 0.000 0.752 406 L CB -0.731 41.203 42.059 -0.209 0.000 0.899 406 L HN 0.158 nan 8.230 nan 0.000 0.433 407 A N -1.246 121.369 122.820 -0.342 0.000 1.877 407 A HA -0.149 4.172 4.320 0.002 0.000 0.216 407 A C 2.255 179.768 177.584 -0.118 0.000 1.186 407 A CA 1.954 53.753 52.037 -0.397 0.000 0.620 407 A CB -1.116 17.419 19.000 -0.775 0.000 0.822 407 A HN 0.259 nan 8.150 nan 0.000 0.443 408 V N 0.211 120.081 119.914 -0.073 0.000 2.282 408 V HA -0.307 3.814 4.120 0.002 0.000 0.249 408 V C 2.606 178.736 176.094 0.059 0.000 1.057 408 V CA 2.178 64.488 62.300 0.017 0.000 1.032 408 V CB -0.853 30.894 31.823 -0.126 0.000 0.645 408 V HN 0.569 nan 8.190 nan 0.000 0.447 409 L N -0.733 120.475 121.223 -0.026 0.000 2.017 409 L HA -0.222 4.119 4.340 0.002 0.000 0.208 409 L C 2.599 179.492 176.870 0.039 0.000 1.073 409 L CA 2.174 57.011 54.840 -0.004 0.000 0.745 409 L CB -0.817 41.228 42.059 -0.024 0.000 0.894 409 L HN 0.481 nan 8.230 nan 0.000 0.432 410 H N -0.206 118.818 119.070 -0.076 0.000 2.293 410 H HA -0.152 4.405 4.556 0.002 0.000 0.300 410 H C 2.382 177.691 175.328 -0.031 0.000 1.082 410 H CA 2.069 58.062 56.048 -0.091 0.000 1.308 410 H CB -0.076 29.568 29.762 -0.197 0.000 1.375 410 H HN 0.142 nan 8.280 nan 0.000 0.495 411 S N -0.198 115.456 115.700 -0.076 0.000 2.359 411 S HA -0.183 4.288 4.470 0.002 0.000 0.223 411 S C 2.087 176.635 174.600 -0.087 0.000 1.039 411 S CA 1.532 59.674 58.200 -0.096 0.000 1.042 411 S CB -0.728 62.503 63.200 0.052 0.000 0.915 411 S HN 0.388 nan 8.310 nan 0.000 0.439 412 F N 1.804 121.688 119.950 -0.110 0.000 2.126 412 F HA -0.178 4.350 4.527 0.002 0.000 0.299 412 F C 2.825 178.564 175.800 -0.102 0.000 1.096 412 F CA 1.366 59.322 58.000 -0.073 0.000 1.255 412 F CB -0.332 38.647 39.000 -0.036 0.000 0.997 412 F HN 0.226 nan 8.300 nan 0.000 0.479 413 Q N -0.545 119.278 119.800 0.038 0.000 2.119 413 Q HA -0.199 4.142 4.340 0.002 0.000 0.201 413 Q C 2.130 178.057 176.000 -0.121 0.000 0.972 413 Q CA 1.185 56.961 55.803 -0.045 0.000 0.847 413 Q CB -0.298 28.404 28.738 -0.061 0.000 0.903 413 Q HN 0.356 nan 8.270 nan 0.000 0.433 414 L N 0.069 121.157 121.223 -0.225 0.000 2.093 414 L HA -0.012 4.329 4.340 0.002 0.000 0.208 414 L C 1.788 178.564 176.870 -0.156 0.000 1.085 414 L CA 1.677 56.376 54.840 -0.237 0.000 0.755 414 L CB -0.375 41.454 42.059 -0.383 0.000 0.904 414 L HN 0.080 nan 8.230 nan 0.000 0.435 415 A N -1.395 121.329 122.820 -0.160 0.000 2.278 415 A HA 0.073 4.394 4.320 0.002 0.000 0.212 415 A C 0.763 178.280 177.584 -0.111 0.000 1.213 415 A CA -0.085 51.864 52.037 -0.146 0.000 0.840 415 A CB -0.397 18.477 19.000 -0.210 0.000 0.866 415 A HN 0.378 nan 8.150 nan 0.000 0.489 416 K N -0.725 119.623 120.400 -0.087 0.000 3.148 416 K HA -0.132 4.189 4.320 0.002 0.000 0.267 416 K C -0.672 175.903 176.600 -0.041 0.000 0.996 416 K CA 0.799 57.051 56.287 -0.059 0.000 0.737 416 K CB -2.368 30.098 32.500 -0.057 0.000 1.308 416 K HN 0.299 nan 8.250 nan 0.000 0.470 417 V N 0.867 120.772 119.914 -0.015 0.000 2.513 417 V HA 0.181 4.302 4.120 0.002 0.000 0.299 417 V C 0.848 177.032 176.094 0.149 0.000 1.035 417 V CA -0.705 61.626 62.300 0.052 0.000 0.889 417 V CB 2.045 33.863 31.823 -0.009 0.000 0.988 417 V HN 0.246 nan 8.190 nan 0.000 0.440 418 T N 6.036 120.641 114.554 0.085 0.000 2.867 418 T HA 0.430 4.781 4.350 0.002 0.000 0.297 418 T C -0.290 174.454 174.700 0.073 0.000 0.989 418 T CA 0.890 62.958 62.100 -0.052 0.000 1.159 418 T CB -0.088 68.625 68.868 -0.258 0.000 0.928 418 T HN 0.540 nan 8.240 nan 0.000 0.538 419 I N 2.744 123.291 120.570 -0.038 0.000 2.842 419 I HA 0.575 4.746 4.170 0.002 0.000 0.297 419 I C -1.543 174.569 176.117 -0.009 0.000 1.380 419 I CA -0.904 60.402 61.300 0.010 0.000 1.018 419 I CB 1.918 39.862 38.000 -0.092 0.000 1.311 419 I HN 0.417 nan 8.210 nan 0.000 0.439 420 V N 5.673 125.644 119.914 0.095 0.000 2.588 420 V HA 0.488 4.609 4.120 0.002 0.000 0.304 420 V C -1.070 175.069 176.094 0.074 0.000 1.042 420 V CA -0.284 62.081 62.300 0.107 0.000 0.877 420 V CB 2.146 34.123 31.823 0.257 0.000 0.996 420 V HN 0.863 nan 8.190 nan 0.000 0.425 421 D N 4.081 124.503 120.400 0.037 0.000 2.358 421 D HA 0.172 4.814 4.640 0.002 0.000 0.244 421 D C 1.255 177.555 176.300 0.000 0.000 1.163 421 D CA 0.130 54.141 54.000 0.018 0.000 0.945 421 D CB 0.442 41.220 40.800 -0.036 0.000 1.152 421 D HN 0.736 nan 8.370 nan 0.000 0.451 422 H N -0.329 118.677 119.070 -0.107 0.000 2.521 422 H HA -0.116 4.441 4.556 0.002 0.000 0.286 422 H C 0.835 176.075 175.328 -0.147 0.000 1.034 422 H CA 1.179 57.134 56.048 -0.155 0.000 1.278 422 H CB -0.459 29.154 29.762 -0.247 0.000 1.386 422 H HN 0.511 nan 8.280 nan 0.000 0.567 423 H N 1.079 119.953 119.070 -0.327 0.000 2.317 423 H HA 0.194 4.751 4.556 0.002 0.000 0.304 423 H C 2.536 177.837 175.328 -0.044 0.000 1.067 423 H CA 1.260 57.205 56.048 -0.172 0.000 1.352 423 H CB -0.317 29.315 29.762 -0.217 0.000 1.398 423 H HN 0.473 nan 8.280 nan 0.000 0.510 424 A N 1.615 124.490 122.820 0.093 0.000 1.883 424 A HA -0.158 4.163 4.320 0.002 0.000 0.217 424 A C 2.696 180.348 177.584 0.113 0.000 1.186 424 A CA 2.069 54.160 52.037 0.089 0.000 0.624 424 A CB -0.982 18.059 19.000 0.069 0.000 0.822 424 A HN 0.441 nan 8.150 nan 0.000 0.444 425 A N -0.229 122.658 122.820 0.112 0.000 1.873 425 A HA -0.192 4.129 4.320 0.002 0.000 0.218 425 A C 2.482 180.164 177.584 0.163 0.000 1.193 425 A CA 3.025 55.147 52.037 0.143 0.000 0.629 425 A CB -1.611 17.461 19.000 0.120 0.000 0.826 425 A HN 0.876 nan 8.150 nan 0.000 0.447 426 T N -2.760 111.876 114.554 0.137 0.000 2.915 426 T HA -0.054 4.297 4.350 0.002 0.000 0.269 426 T C 1.657 176.489 174.700 0.219 0.000 1.071 426 T CA 1.336 63.542 62.100 0.178 0.000 1.132 426 T CB -0.647 68.294 68.868 0.122 0.000 0.878 426 T HN 0.072 nan 8.240 nan 0.000 0.479 427 V N 2.699 122.715 119.914 0.170 0.000 2.307 427 V HA -0.157 3.964 4.120 0.002 0.000 0.245 427 V C 3.204 179.388 176.094 0.149 0.000 1.045 427 V CA 2.067 64.455 62.300 0.147 0.000 1.024 427 V CB -0.933 30.957 31.823 0.112 0.000 0.651 427 V HN 0.788 nan 8.190 nan 0.000 0.449 428 S N -0.301 115.497 115.700 0.162 0.000 2.423 428 S HA -0.198 4.273 4.470 0.002 0.000 0.231 428 S C 1.961 176.678 174.600 0.194 0.000 1.014 428 S CA 1.388 59.683 58.200 0.158 0.000 0.965 428 S CB -0.666 62.632 63.200 0.162 0.000 0.785 428 S HN 0.509 nan 8.310 nan 0.000 0.495 429 F N 2.169 122.183 119.950 0.107 0.000 2.186 429 F HA 0.096 4.624 4.527 0.002 0.000 0.299 429 F C 2.241 178.129 175.800 0.147 0.000 1.090 429 F CA 1.202 59.279 58.000 0.128 0.000 1.307 429 F CB -0.356 38.700 39.000 0.094 0.000 1.019 429 F HN 0.106 nan 8.300 nan 0.000 0.489 430 M N 0.530 120.202 119.600 0.120 0.000 2.080 430 M HA -0.247 4.234 4.480 0.002 0.000 0.260 430 M C 2.287 178.556 176.300 -0.052 0.000 1.068 430 M CA 1.811 57.128 55.300 0.028 0.000 1.109 430 M CB -1.414 31.251 32.600 0.107 0.000 1.342 430 M HN 0.176 nan 8.290 nan 0.000 0.405 431 K N -0.840 119.563 120.400 0.004 0.000 2.032 431 K HA -0.255 4.066 4.320 0.002 0.000 0.209 431 K C 2.072 178.645 176.600 -0.044 0.000 1.048 431 K CA 1.941 58.227 56.287 -0.002 0.000 0.927 431 K CB -0.327 32.197 32.500 0.041 0.000 0.712 431 K HN 0.323 nan 8.250 nan 0.000 0.441 432 H N 0.453 119.424 119.070 -0.164 0.000 2.352 432 H HA -0.089 4.468 4.556 0.002 0.000 0.299 432 H C 1.766 176.920 175.328 -0.291 0.000 1.097 432 H CA 2.110 58.033 56.048 -0.209 0.000 1.311 432 H CB -0.199 29.405 29.762 -0.263 0.000 1.377 432 H HN 0.182 nan 8.280 nan 0.000 0.504 433 L N -0.312 120.608 121.223 -0.506 0.000 2.012 433 L HA -0.198 4.143 4.340 0.002 0.000 0.210 433 L C 2.351 179.058 176.870 -0.271 0.000 1.073 433 L CA 1.950 56.528 54.840 -0.437 0.000 0.748 433 L CB -0.508 41.362 42.059 -0.314 0.000 0.891 433 L HN 0.400 nan 8.230 nan 0.000 0.431 434 D N -0.172 120.118 120.400 -0.184 0.000 2.084 434 D HA -0.192 4.449 4.640 0.002 0.000 0.194 434 D C 1.931 178.159 176.300 -0.119 0.000 0.990 434 D CA 1.252 55.184 54.000 -0.112 0.000 0.826 434 D CB 0.090 40.851 40.800 -0.065 0.000 0.971 434 D HN 0.169 nan 8.370 nan 0.000 0.453 435 N N 0.482 119.104 118.700 -0.131 0.000 2.149 435 N HA -0.142 4.599 4.740 0.002 0.000 0.188 435 N C 1.591 177.020 175.510 -0.134 0.000 1.019 435 N CA 0.829 53.822 53.050 -0.094 0.000 0.857 435 N CB -0.244 38.221 38.487 -0.036 0.000 0.997 435 N HN 0.352 nan 8.380 nan 0.000 0.426 436 E N 0.702 120.739 120.200 -0.273 0.000 2.107 436 E HA -0.131 4.220 4.350 0.002 0.000 0.191 436 E C 1.932 178.441 176.600 -0.153 0.000 0.982 436 E CA 0.499 56.739 56.400 -0.266 0.000 0.809 436 E CB -0.205 29.224 29.700 -0.452 0.000 0.756 436 E HN 0.312 nan 8.360 nan 0.000 0.459 437 Q N 1.674 121.393 119.800 -0.135 0.000 2.077 437 Q HA -0.166 4.175 4.340 0.002 0.000 0.206 437 Q C 1.779 177.746 176.000 -0.056 0.000 0.989 437 Q CA 1.930 57.687 55.803 -0.076 0.000 0.853 437 Q CB -0.029 28.672 28.738 -0.063 0.000 0.907 437 Q HN 0.149 nan 8.270 nan 0.000 0.418 438 K N -0.759 119.608 120.400 -0.056 0.000 2.103 438 K HA 0.026 4.347 4.320 0.002 0.000 0.204 438 K C 2.058 178.638 176.600 -0.034 0.000 1.052 438 K CA 1.012 57.276 56.287 -0.039 0.000 0.945 438 K CB -0.190 32.291 32.500 -0.032 0.000 0.722 438 K HN 0.248 nan 8.250 nan 0.000 0.443 439 A N 1.390 124.188 122.820 -0.037 0.000 1.897 439 A HA -0.059 4.262 4.320 0.002 0.000 0.215 439 A C 1.848 179.416 177.584 -0.026 0.000 1.181 439 A CA 1.160 53.185 52.037 -0.020 0.000 0.620 439 A CB -0.029 18.970 19.000 -0.001 0.000 0.821 439 A HN 0.160 nan 8.150 nan 0.000 0.443 440 R N -2.656 117.819 120.500 -0.043 0.000 2.531 440 R HA 0.272 4.613 4.340 0.002 0.000 0.316 440 R C 0.730 177.013 176.300 -0.028 0.000 0.955 440 R CA 0.515 56.595 56.100 -0.033 0.000 1.120 440 R CB 0.765 31.041 30.300 -0.039 0.000 1.361 440 R HN 0.694 nan 8.270 nan 0.000 0.534 441 G N 0.902 109.682 108.800 -0.034 0.000 2.171 441 G HA2 -0.123 3.838 3.960 0.002 0.000 0.238 441 G HA3 -0.123 3.838 3.960 0.002 0.000 0.238 441 G C 0.163 175.066 174.900 0.005 0.000 1.039 441 G CA -0.055 45.029 45.100 -0.028 0.000 0.759 441 G HN 0.709 nan 8.290 nan 0.000 0.501 442 G N -2.352 106.452 108.800 0.007 0.000 2.353 442 G HA2 0.511 4.472 3.960 0.002 0.000 0.308 442 G HA3 0.511 4.472 3.960 0.002 0.000 0.308 442 G C -0.614 174.309 174.900 0.039 0.000 1.418 442 G CA 0.340 45.474 45.100 0.056 0.000 0.966 442 G HN 2.002 nan 8.290 nan 0.000 0.638 443 C N 2.608 121.941 119.300 0.054 0.000 2.620 443 C HA 0.747 5.208 4.460 0.002 0.000 0.356 443 C C -2.380 172.592 174.990 -0.030 0.000 1.082 443 C CA -1.451 57.553 59.018 -0.022 0.000 1.293 443 C CB 1.170 28.832 27.740 -0.130 0.000 1.836 443 C HN 0.726 nan 8.230 nan 0.000 0.453 444 P HA 0.345 nan 4.420 nan 0.000 0.266 444 P C -0.561 176.631 177.300 -0.180 0.000 1.215 444 P CA 0.732 63.488 63.100 -0.574 0.000 0.763 444 P CB 0.821 31.917 31.700 -1.006 0.000 0.806 445 A N 2.966 125.746 122.820 -0.067 0.000 2.455 445 A HA 0.419 4.740 4.320 0.002 0.000 0.300 445 A C -1.007 176.619 177.584 0.071 0.000 1.040 445 A CA -0.580 51.501 52.037 0.074 0.000 0.697 445 A CB 1.334 20.494 19.000 0.266 0.000 1.265 445 A HN 0.420 nan 8.150 nan 0.000 0.407 446 D N 1.933 122.363 120.400 0.050 0.000 2.443 446 D HA 0.159 4.800 4.640 0.002 0.000 0.221 446 D C 0.825 177.249 176.300 0.206 0.000 1.097 446 D CA -0.468 53.594 54.000 0.104 0.000 0.865 446 D CB 0.423 41.216 40.800 -0.012 0.000 1.034 446 D HN 0.595 nan 8.370 nan 0.000 0.511 447 W N 4.282 125.620 121.300 0.062 0.000 2.304 447 W HA -0.305 4.356 4.660 0.002 0.000 0.315 447 W C 1.945 178.508 176.519 0.073 0.000 1.233 447 W CA 2.401 59.774 57.345 0.047 0.000 1.261 447 W CB -0.010 29.453 29.460 0.006 0.000 1.150 447 W HN 0.565 nan 8.180 nan 0.000 0.494 448 A N -1.401 121.722 122.820 0.504 0.000 2.070 448 A HA -0.187 4.134 4.320 0.002 0.000 0.220 448 A C 1.419 179.094 177.584 0.151 0.000 1.159 448 A CA 1.578 53.832 52.037 0.361 0.000 0.656 448 A CB -1.186 18.055 19.000 0.401 0.000 0.800 448 A HN 0.545 nan 8.150 nan 0.000 0.453 449 W N -0.926 120.347 121.300 -0.044 0.000 2.762 449 W HA 0.215 4.876 4.660 0.002 0.000 0.265 449 W C 1.830 178.235 176.519 -0.189 0.000 1.263 449 W CA -0.133 57.160 57.345 -0.085 0.000 1.411 449 W CB -0.045 29.392 29.460 -0.040 0.000 1.065 449 W HN 0.134 nan 8.180 nan 0.000 0.609 450 I N -0.160 120.363 120.570 -0.078 0.000 2.406 450 I HA -0.063 4.108 4.170 0.002 0.000 0.249 450 I C 0.631 176.546 176.117 -0.336 0.000 1.122 450 I CA 0.797 61.921 61.300 -0.294 0.000 1.431 450 I CB -1.472 36.274 38.000 -0.423 0.000 1.087 450 I HN -0.413 nan 8.210 nan 0.000 0.424 451 V N 4.040 123.668 119.914 -0.475 0.000 2.479 451 V HA 0.091 4.212 4.120 0.002 0.000 0.281 451 V C -1.888 174.033 176.094 -0.289 0.000 1.031 451 V CA -1.099 60.920 62.300 -0.468 0.000 1.038 451 V CB 0.100 31.419 31.823 -0.839 0.000 0.981 451 V HN 0.126 nan 8.190 nan 0.000 0.478 452 P HA 0.073 nan 4.420 nan 0.000 0.267 452 P C -1.766 175.402 177.300 -0.221 0.000 1.201 452 P CA -0.970 62.003 63.100 -0.212 0.000 0.775 452 P CB -0.007 31.567 31.700 -0.209 0.000 0.854 453 P HA -0.028 nan 4.420 nan 0.000 0.234 453 P C 0.232 177.418 177.300 -0.189 0.000 1.167 453 P CA 1.220 64.199 63.100 -0.201 0.000 0.763 453 P CB -0.041 31.535 31.700 -0.208 0.000 0.835 454 I N -7.229 113.194 120.570 -0.244 0.000 3.074 454 I HA 0.444 4.615 4.170 0.002 0.000 0.310 454 I C -0.131 175.879 176.117 -0.179 0.000 1.153 454 I CA -1.329 59.848 61.300 -0.204 0.000 0.993 454 I CB 1.808 39.669 38.000 -0.230 0.000 1.237 454 I HN -0.420 nan 8.210 nan 0.000 0.443 455 S N 1.644 117.284 115.700 -0.099 0.000 3.462 455 S HA -0.200 4.271 4.470 0.002 0.000 0.370 455 S C 1.282 175.841 174.600 -0.070 0.000 1.028 455 S CA 0.794 58.971 58.200 -0.038 0.000 1.119 455 S CB -1.809 61.441 63.200 0.084 0.000 0.906 455 S HN 1.246 nan 8.310 nan 0.000 0.471 456 G N 2.488 111.208 108.800 -0.134 0.000 2.628 456 G HA2 -0.292 3.669 3.960 0.002 0.000 0.217 456 G HA3 -0.292 3.669 3.960 0.002 0.000 0.217 456 G C 1.473 176.182 174.900 -0.318 0.000 1.240 456 G CA 1.408 46.418 45.100 -0.149 0.000 0.792 456 G HN 1.233 nan 8.290 nan 0.000 0.593 457 S N 0.435 115.625 115.700 -0.850 0.000 2.547 457 S HA 0.121 4.592 4.470 0.002 0.000 0.235 457 S C 2.092 176.605 174.600 -0.145 0.000 0.980 457 S CA 0.683 58.267 58.200 -1.026 0.000 0.941 457 S CB -0.235 62.282 63.200 -1.137 0.000 0.763 457 S HN 0.310 nan 8.310 nan 0.000 0.532 458 L N 1.939 123.129 121.223 -0.055 0.000 2.552 458 L HA 0.115 4.457 4.340 0.002 0.000 0.227 458 L C 1.255 178.248 176.870 0.205 0.000 1.146 458 L CA 0.548 55.454 54.840 0.110 0.000 0.858 458 L CB -0.951 41.197 42.059 0.147 0.000 0.969 458 L HN 0.507 nan 8.230 nan 0.000 0.451 459 T N -4.627 110.036 114.554 0.183 0.000 2.945 459 T HA 0.325 4.676 4.350 0.002 0.000 0.286 459 T C -1.691 173.183 174.700 0.289 0.000 1.025 459 T CA -1.997 60.237 62.100 0.223 0.000 1.039 459 T CB 2.027 70.979 68.868 0.139 0.000 1.068 459 T HN -0.222 nan 8.240 nan 0.000 0.497 460 P HA -0.120 nan 4.420 nan 0.000 0.217 460 P C 1.893 179.392 177.300 0.332 0.000 1.150 460 P CA 1.416 64.705 63.100 0.314 0.000 0.832 460 P CB -0.411 31.423 31.700 0.224 0.000 0.787 461 V N -3.057 117.004 119.914 0.245 0.000 2.469 461 V HA -0.242 3.879 4.120 0.002 0.000 0.251 461 V C 2.441 178.632 176.094 0.161 0.000 1.064 461 V CA 1.606 64.021 62.300 0.193 0.000 1.066 461 V CB -2.384 29.485 31.823 0.076 0.000 0.667 461 V HN -0.107 nan 8.190 nan 0.000 0.461 462 F N 1.802 121.743 119.950 -0.015 0.000 2.154 462 F HA -0.196 4.332 4.527 0.001 0.000 0.301 462 F C 2.409 178.347 175.800 0.229 0.000 1.087 462 F CA 2.296 60.295 58.000 -0.001 0.000 1.274 462 F CB -0.336 38.547 39.000 -0.194 0.000 1.009 462 F HN 0.283 nan 8.300 nan 0.000 0.485 463 H N -0.833 118.535 119.070 0.496 0.000 2.536 463 H HA 0.118 4.675 4.556 0.002 0.000 0.276 463 H C 0.154 175.709 175.328 0.377 0.000 1.019 463 H CA 0.220 56.517 56.048 0.416 0.000 1.159 463 H CB -0.208 29.800 29.762 0.411 0.000 1.373 463 H HN 0.267 nan 8.280 nan 0.000 0.584 464 Q N 1.807 121.867 119.800 0.433 0.000 2.325 464 Q HA 0.180 4.521 4.340 0.002 0.000 0.262 464 Q C -0.538 175.683 176.000 0.369 0.000 0.968 464 Q CA -0.503 55.516 55.803 0.359 0.000 0.877 464 Q CB 0.993 29.913 28.738 0.302 0.000 1.253 464 Q HN 0.230 nan 8.270 nan 0.000 0.448 465 E N 3.169 123.540 120.200 0.285 0.000 2.392 465 E HA 0.332 4.683 4.350 0.002 0.000 0.259 465 E C -0.463 176.270 176.600 0.221 0.000 1.108 465 E CA 0.206 56.733 56.400 0.213 0.000 0.916 465 E CB 0.829 30.634 29.700 0.175 0.000 0.989 465 E HN 0.601 nan 8.360 nan 0.000 0.432 466 M N 0.864 120.587 119.600 0.205 0.000 2.520 466 M HA 0.353 4.834 4.480 0.002 0.000 0.283 466 M C -1.360 175.040 176.300 0.167 0.000 1.237 466 M CA -0.909 54.518 55.300 0.211 0.000 0.885 466 M CB 2.433 35.206 32.600 0.289 0.000 1.727 466 M HN 0.147 nan 8.290 nan 0.000 0.468 467 V N 1.719 121.739 119.914 0.177 0.000 2.459 467 V HA 0.545 4.666 4.120 0.002 0.000 0.295 467 V C -0.814 175.379 176.094 0.166 0.000 1.029 467 V CA -0.684 61.748 62.300 0.219 0.000 0.874 467 V CB 1.822 33.839 31.823 0.323 0.000 0.985 467 V HN 0.840 nan 8.190 nan 0.000 0.438 468 N N 3.392 122.187 118.700 0.159 0.000 2.321 468 N HA 0.725 5.466 4.740 0.002 0.000 0.299 468 N C -1.263 174.317 175.510 0.118 0.000 1.048 468 N CA -0.462 52.585 53.050 -0.005 0.000 0.836 468 N CB 1.650 40.149 38.487 0.019 0.000 1.269 468 N HN 0.670 nan 8.380 nan 0.000 0.486 469 Y N 0.004 120.317 120.300 0.022 0.000 2.741 469 Y HA 0.513 5.064 4.550 0.002 0.000 0.339 469 Y C -1.318 174.583 175.900 0.001 0.000 1.226 469 Y CA -1.232 56.876 58.100 0.013 0.000 1.072 469 Y CB 0.710 39.183 38.460 0.022 0.000 1.331 469 Y HN 0.235 nan 8.280 nan 0.000 0.453 470 I N 3.490 124.169 120.570 0.181 0.000 2.304 470 I HA 0.397 4.568 4.170 0.002 0.000 0.291 470 I C -0.628 175.564 176.117 0.124 0.000 1.018 470 I CA -0.385 60.964 61.300 0.082 0.000 1.260 470 I CB 0.856 38.884 38.000 0.048 0.000 1.390 470 I HN 0.411 nan 8.210 nan 0.000 0.475 471 L N 4.872 126.135 121.223 0.067 0.000 2.322 471 L HA 0.588 4.929 4.340 0.002 0.000 0.269 471 L C -0.035 176.839 176.870 0.008 0.000 1.012 471 L CA -0.571 54.310 54.840 0.069 0.000 0.815 471 L CB 2.100 44.200 42.059 0.068 0.000 1.295 471 L HN 0.507 nan 8.230 nan 0.000 0.438 472 S N 1.139 116.851 115.700 0.020 0.000 2.526 472 S HA 0.633 5.104 4.470 0.002 0.000 0.293 472 S C -2.583 172.033 174.600 0.027 0.000 1.092 472 S CA -1.396 56.800 58.200 -0.007 0.000 0.980 472 S CB 1.940 65.148 63.200 0.014 0.000 1.048 472 S HN 0.242 nan 8.310 nan 0.000 0.483 473 P HA 0.367 nan 4.420 nan 0.000 0.269 473 P C -1.338 175.836 177.300 -0.209 0.000 1.205 473 P CA 0.052 63.052 63.100 -0.166 0.000 0.780 473 P CB 0.400 31.956 31.700 -0.240 0.000 0.858 474 A N 1.230 123.877 122.820 -0.289 0.000 2.605 474 A HA 0.612 4.933 4.320 0.002 0.000 0.294 474 A C -1.539 175.823 177.584 -0.369 0.000 1.062 474 A CA -0.526 51.346 52.037 -0.275 0.000 0.682 474 A CB 0.619 19.539 19.000 -0.133 0.000 1.278 474 A HN 0.317 nan 8.150 nan 0.000 0.410 475 F N 1.177 121.043 119.950 -0.139 0.000 2.404 475 F HA 0.672 5.200 4.527 0.002 0.000 0.345 475 F C 1.057 176.753 175.800 -0.173 0.000 1.110 475 F CA 0.344 58.262 58.000 -0.137 0.000 1.130 475 F CB 1.576 40.465 39.000 -0.184 0.000 1.129 475 F HN 0.578 nan 8.300 nan 0.000 0.500 476 R N 1.435 121.959 120.500 0.039 0.000 2.867 476 R HA 0.471 4.812 4.340 0.002 0.000 0.268 476 R C -1.586 174.677 176.300 -0.062 0.000 1.014 476 R CA -1.168 54.887 56.100 -0.074 0.000 0.946 476 R CB 1.685 31.976 30.300 -0.015 0.000 1.208 476 R HN 0.410 nan 8.270 nan 0.000 0.477 477 Y N 1.255 121.583 120.300 0.046 0.000 2.307 477 Y HA 0.211 4.762 4.550 0.002 0.000 0.324 477 Y C 0.370 176.276 175.900 0.010 0.000 1.238 477 Y CA -0.130 57.988 58.100 0.030 0.000 1.280 477 Y CB 1.134 39.599 38.460 0.008 0.000 1.248 477 Y HN 0.423 nan 8.280 nan 0.000 0.508 478 Q N 2.849 122.755 119.800 0.177 0.000 2.416 478 Q HA 0.563 4.904 4.340 0.002 0.000 0.281 478 Q C -3.136 172.849 176.000 -0.025 0.000 1.067 478 Q CA -2.398 53.440 55.803 0.058 0.000 0.809 478 Q CB 2.563 31.328 28.738 0.045 0.000 1.418 478 Q HN 0.311 nan 8.270 nan 0.000 0.411 479 P HA -0.010 nan 4.420 nan 0.000 0.267 479 P C -0.813 176.304 177.300 -0.306 0.000 1.201 479 P CA 0.089 63.078 63.100 -0.184 0.000 0.775 479 P CB 0.476 32.078 31.700 -0.163 0.000 0.854 480 D N 3.440 123.527 120.400 -0.522 0.000 2.383 480 D HA 0.051 4.692 4.640 0.002 0.000 0.252 480 D C -0.779 174.959 176.300 -0.937 0.000 1.166 480 D CA -1.456 51.974 54.000 -0.949 0.000 0.879 480 D CB 0.326 40.141 40.800 -1.643 0.000 1.164 480 D HN 0.304 nan 8.370 nan 0.000 0.462 481 P HA -0.127 nan 4.420 nan 0.000 0.222 481 P C 0.173 177.222 177.300 -0.419 0.000 1.142 481 P CA 1.003 63.813 63.100 -0.484 0.000 0.788 481 P CB 0.073 31.564 31.700 -0.348 0.000 0.767 482 W N 0.000 120.919 121.300 -0.635 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.099 57.345 -0.411 0.000 1.226 482 W CB 0.000 29.099 29.460 -0.602 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535