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 3nlu_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX DATA SEQUENCE XXPAEQLLSQ 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 0.000 176.343 176.600 -0.429 0.000 0.988 69 K CA 0.000 56.062 56.287 -0.375 0.000 0.838 69 K CB 0.000 32.142 32.500 -0.597 0.000 1.064 70 F N 5.392 125.337 119.950 -0.008 0.000 2.371 70 F HA 0.357 4.885 4.527 0.002 0.000 0.363 70 F C -2.101 173.772 175.800 0.121 0.000 1.122 70 F CA -2.470 55.546 58.000 0.027 0.000 1.129 70 F CB 0.426 39.426 39.000 -0.000 0.000 1.173 70 F HN -0.079 nan 8.300 nan 0.000 0.489 71 P HA 0.168 nan 4.420 nan 0.000 0.279 71 P C -0.591 176.852 177.300 0.240 0.000 1.239 71 P CA -0.649 62.580 63.100 0.215 0.000 0.789 71 P CB 1.157 32.935 31.700 0.130 0.000 0.933 72 R N 2.254 122.841 120.500 0.145 0.000 2.234 72 R HA 0.359 4.700 4.340 0.002 0.000 0.324 72 R C -1.062 175.156 176.300 -0.137 0.000 1.054 72 R CA -0.442 55.555 56.100 -0.171 0.000 0.912 72 R CB 0.341 30.580 30.300 -0.101 0.000 1.030 72 R HN 0.258 nan 8.270 nan 0.000 0.455 73 V N 5.719 125.507 119.914 -0.209 0.000 2.334 73 V HA 0.291 4.412 4.120 0.002 0.000 0.281 73 V C 0.026 176.032 176.094 -0.148 0.000 1.016 73 V CA -0.676 61.568 62.300 -0.094 0.000 0.832 73 V CB 1.131 32.939 31.823 -0.025 0.000 0.999 73 V HN 0.730 nan 8.190 nan 0.000 0.439 74 K N 3.852 124.175 120.400 -0.130 0.000 2.118 74 K HA 0.415 4.736 4.320 0.002 0.000 0.254 74 K C -0.431 176.064 176.600 -0.176 0.000 0.961 74 K CA -0.712 55.415 56.287 -0.267 0.000 0.876 74 K CB 1.219 33.400 32.500 -0.531 0.000 1.077 74 K HN 0.700 nan 8.250 nan 0.000 0.440 75 N N 3.487 122.061 118.700 -0.209 0.000 2.479 75 N HA 0.104 4.845 4.740 0.002 0.000 0.261 75 N C -0.432 175.030 175.510 -0.080 0.000 0.979 75 N CA -0.420 52.617 53.050 -0.021 0.000 0.930 75 N CB 0.507 39.016 38.487 0.036 0.000 1.172 75 N HN 0.627 nan 8.380 nan 0.000 0.499 76 W N 2.062 123.436 121.300 0.123 0.000 2.961 76 W HA 0.129 4.790 4.660 0.002 0.000 0.240 76 W C 1.948 178.504 176.519 0.061 0.000 1.305 76 W CA -0.119 57.288 57.345 0.103 0.000 1.465 76 W CB 0.230 29.771 29.460 0.135 0.000 1.135 76 W HN 0.667 nan 8.180 nan 0.000 0.688 77 E N 0.307 120.629 120.200 0.203 0.000 2.140 77 E HA -0.077 4.274 4.350 0.002 0.000 0.191 77 E C 1.606 178.222 176.600 0.027 0.000 0.973 77 E CA 0.980 57.399 56.400 0.032 0.000 0.829 77 E CB -0.064 29.626 29.700 -0.018 0.000 0.781 77 E HN 0.285 nan 8.360 nan 0.000 0.466 78 L N -1.409 119.829 121.223 0.025 0.000 2.672 78 L HA 0.400 4.741 4.340 0.002 0.000 0.236 78 L C 1.443 178.286 176.870 -0.044 0.000 1.092 78 L CA 0.352 55.189 54.840 -0.005 0.000 0.887 78 L CB 0.965 43.025 42.059 0.001 0.000 1.168 78 L HN 0.338 nan 8.230 nan 0.000 0.502 79 G N 0.742 109.485 108.800 -0.095 0.000 2.159 79 G HA2 -0.303 3.658 3.960 0.002 0.000 0.256 79 G HA3 -0.303 3.658 3.960 0.002 0.000 0.256 79 G C 0.362 175.156 174.900 -0.177 0.000 0.977 79 G CA 0.391 45.384 45.100 -0.177 0.000 0.652 79 G HN 0.439 nan 8.290 nan 0.000 0.531 80 S N -0.581 115.038 115.700 -0.135 0.000 2.592 80 S HA 0.756 5.227 4.470 0.002 0.000 0.271 80 S C 0.007 174.508 174.600 -0.166 0.000 1.326 80 S CA -0.430 57.698 58.200 -0.120 0.000 1.024 80 S CB 2.168 65.324 63.200 -0.073 0.000 0.921 80 S HN 0.624 nan 8.310 nan 0.000 0.527 81 I N 1.894 122.366 120.570 -0.165 0.000 2.533 81 I HA 0.437 4.608 4.170 0.002 0.000 0.290 81 I C 0.039 176.016 176.117 -0.232 0.000 1.056 81 I CA -0.366 60.794 61.300 -0.233 0.000 1.057 81 I CB 2.583 40.424 38.000 -0.264 0.000 1.240 81 I HN 0.973 nan 8.210 nan 0.000 0.423 82 T N 1.203 115.587 114.554 -0.283 0.000 2.888 82 T HA 0.648 4.999 4.350 0.002 0.000 0.288 82 T C -1.076 173.367 174.700 -0.429 0.000 1.063 82 T CA -0.856 61.103 62.100 -0.235 0.000 1.010 82 T CB 1.621 70.424 68.868 -0.108 0.000 1.214 82 T HN 0.261 nan 8.240 nan 0.000 0.533 83 Y N -0.185 120.099 120.300 -0.026 0.000 2.391 83 Y HA 0.445 4.996 4.550 0.002 0.000 0.341 83 Y C -0.248 175.639 175.900 -0.022 0.000 0.965 83 Y CA -1.001 57.093 58.100 -0.010 0.000 1.067 83 Y CB 1.831 40.272 38.460 -0.032 0.000 1.199 83 Y HN 0.684 nan 8.280 nan 0.000 0.450 84 D N 1.906 122.406 120.400 0.165 0.000 2.339 84 D HA 0.080 4.721 4.640 0.002 0.000 0.241 84 D C 0.801 177.176 176.300 0.125 0.000 1.183 84 D CA 0.128 54.198 54.000 0.116 0.000 0.859 84 D CB 1.305 42.187 40.800 0.137 0.000 1.067 84 D HN 0.770 nan 8.370 nan 0.000 0.484 85 T N 1.103 115.647 114.554 -0.017 0.000 3.022 85 T HA -0.043 4.308 4.350 0.002 0.000 0.250 85 T C 1.806 176.519 174.700 0.022 0.000 1.060 85 T CA -0.202 61.832 62.100 -0.110 0.000 1.013 85 T CB 0.034 68.598 68.868 -0.507 0.000 0.982 85 T HN 0.245 nan 8.240 nan 0.000 0.508 86 L N 2.491 123.716 121.223 0.003 0.000 2.046 86 L HA 0.052 4.393 4.340 0.002 0.000 0.208 86 L C 2.705 179.526 176.870 -0.082 0.000 1.077 86 L CA 1.669 56.521 54.840 0.021 0.000 0.747 86 L CB -1.101 41.022 42.059 0.107 0.000 0.896 86 L HN 0.667 nan 8.230 nan 0.000 0.432 87 C N -0.904 118.159 119.300 -0.396 0.000 2.400 87 C HA -0.016 4.445 4.460 0.002 0.000 0.291 87 C C 2.729 177.501 174.990 -0.364 0.000 1.372 87 C CA 0.271 58.704 59.018 -0.976 0.000 1.800 87 C CB -2.312 24.679 27.740 -1.249 0.000 1.869 87 C HN 0.586 nan 8.230 nan 0.000 0.533 88 A N 0.418 123.177 122.820 -0.101 0.000 2.014 88 A HA -0.050 4.271 4.320 0.002 0.000 0.218 88 A C 2.260 179.840 177.584 -0.007 0.000 1.163 88 A CA 1.293 53.319 52.037 -0.019 0.000 0.652 88 A CB -0.401 18.669 19.000 0.116 0.000 0.808 88 A HN 0.721 nan 8.150 nan 0.000 0.449 89 Q N 0.471 120.275 119.800 0.007 0.000 2.482 89 Q HA 0.049 4.390 4.340 0.002 0.000 0.209 89 Q C 0.776 176.807 176.000 0.051 0.000 0.961 89 Q CA 0.510 56.336 55.803 0.038 0.000 0.945 89 Q CB -0.826 27.946 28.738 0.057 0.000 1.012 89 Q HN 0.492 nan 8.270 nan 0.000 0.515 90 S N 1.216 116.938 115.700 0.035 0.000 2.498 90 S HA 0.029 4.500 4.470 0.002 0.000 0.281 90 S C 0.884 175.514 174.600 0.050 0.000 1.265 90 S CA -0.129 58.117 58.200 0.076 0.000 1.071 90 S CB 0.565 63.828 63.200 0.105 0.000 0.894 90 S HN 0.148 nan 8.310 nan 0.000 0.491 91 Q N 2.699 122.535 119.800 0.060 0.000 2.317 91 Q HA 0.206 4.547 4.340 0.002 0.000 0.220 91 Q C 0.144 176.169 176.000 0.042 0.000 0.873 91 Q CA 0.251 56.080 55.803 0.045 0.000 0.936 91 Q CB 0.461 29.229 28.738 0.050 0.000 1.105 91 Q HN 0.710 nan 8.270 nan 0.000 0.520 92 Q N 1.397 121.228 119.800 0.051 0.000 2.322 92 Q HA 0.188 4.528 4.340 0.002 0.000 0.265 92 Q C -1.247 174.780 176.000 0.046 0.000 0.985 92 Q CA -0.353 55.476 55.803 0.043 0.000 0.849 92 Q CB 1.413 30.176 28.738 0.041 0.000 1.274 92 Q HN 0.031 nan 8.270 nan 0.000 0.449 93 D N 1.991 122.412 120.400 0.034 0.000 2.350 93 D HA 0.296 4.936 4.640 0.002 0.000 0.249 93 D C 0.275 176.594 176.300 0.032 0.000 1.119 93 D CA 0.229 54.249 54.000 0.032 0.000 0.886 93 D CB 1.376 42.188 40.800 0.021 0.000 1.195 93 D HN 0.668 nan 8.370 nan 0.000 0.437 94 G N 1.142 109.964 108.800 0.037 0.000 2.543 94 G HA2 0.371 4.332 3.960 0.002 0.000 0.267 94 G HA3 0.371 4.332 3.960 0.002 0.000 0.267 94 G C -1.524 173.389 174.900 0.021 0.000 1.406 94 G CA -0.559 44.559 45.100 0.031 0.000 1.048 94 G HN 0.384 nan 8.290 nan 0.000 0.548 95 P HA 0.241 nan 4.420 nan 0.000 0.264 95 P C 0.056 177.364 177.300 0.014 0.000 1.259 95 P CA -0.189 62.919 63.100 0.013 0.000 0.841 95 P CB 0.251 31.957 31.700 0.009 0.000 1.232 96 C N 0.837 120.148 119.300 0.018 0.000 2.459 96 C HA 0.624 5.085 4.460 0.002 0.000 0.374 96 C C 1.109 176.106 174.990 0.012 0.000 1.241 96 C CA 0.040 59.068 59.018 0.016 0.000 2.352 96 C CB 0.850 28.603 27.740 0.021 0.000 2.490 96 C HN 0.381 nan 8.230 nan 0.000 0.583 97 T N -0.974 113.585 114.554 0.008 0.000 2.858 97 T HA 0.489 4.840 4.350 0.002 0.000 0.285 97 T C -2.310 172.392 174.700 0.003 0.000 1.052 97 T CA -1.202 60.901 62.100 0.004 0.000 1.009 97 T CB 1.187 70.056 68.868 0.002 0.000 1.241 97 T HN 0.315 nan 8.240 nan 0.000 0.542 98 P HA 0.056 nan 4.420 nan 0.000 0.220 98 P C 1.496 178.795 177.300 -0.002 0.000 1.148 98 P CA 0.591 63.691 63.100 -0.002 0.000 0.803 98 P CB 0.032 31.730 31.700 -0.004 0.000 0.782 99 R N 0.227 120.726 120.500 -0.002 0.000 2.115 99 R HA -0.040 4.301 4.340 0.002 0.000 0.226 99 R C 0.565 176.864 176.300 -0.002 0.000 1.100 99 R CA 0.872 56.971 56.100 -0.002 0.000 0.980 99 R CB 0.077 30.376 30.300 -0.002 0.000 0.875 99 R HN 0.059 nan 8.270 nan 0.000 0.445 100 R N 0.021 120.520 120.500 -0.001 0.000 2.604 100 R HA 0.143 4.484 4.340 0.002 0.000 0.261 100 R C -1.925 174.376 176.300 0.002 0.000 1.080 100 R CA -0.711 55.388 56.100 -0.001 0.000 0.917 100 R CB 0.046 30.345 30.300 -0.001 0.000 1.252 100 R HN 0.092 nan 8.270 nan 0.000 0.456 101 C N 3.613 122.913 119.300 0.001 0.000 2.415 101 C HA 0.547 5.008 4.460 0.002 0.000 0.369 101 C C 0.400 175.395 174.990 0.009 0.000 1.279 101 C CA -0.518 58.503 59.018 0.005 0.000 1.886 101 C CB -0.546 27.193 27.740 -0.001 0.000 2.468 101 C HN 0.667 nan 8.230 nan 0.000 0.553 102 L N 5.908 127.139 121.223 0.014 0.000 3.066 102 L HA 0.342 4.683 4.340 0.002 0.000 0.265 102 L C 2.069 178.955 176.870 0.028 0.000 1.232 102 L CA 0.699 55.549 54.840 0.018 0.000 1.031 102 L CB -0.164 41.903 42.059 0.014 0.000 1.379 102 L HN 1.030 nan 8.230 nan 0.000 0.563 103 G N -0.730 108.089 108.800 0.033 0.000 2.586 103 G HA2 -0.215 3.745 3.960 0.002 0.000 0.215 103 G HA3 -0.215 3.745 3.960 0.002 0.000 0.215 103 G C 1.441 176.390 174.900 0.081 0.000 1.128 103 G CA 1.089 46.218 45.100 0.049 0.000 0.774 103 G HN 0.506 nan 8.290 nan 0.000 0.543 104 S N -0.352 115.396 115.700 0.080 0.000 2.535 104 S HA 0.310 4.781 4.470 0.002 0.000 0.214 104 S C 0.904 175.573 174.600 0.115 0.000 0.980 104 S CA -0.541 57.730 58.200 0.117 0.000 0.907 104 S CB -0.035 63.219 63.200 0.090 0.000 0.790 104 S HN 0.086 nan 8.310 nan 0.000 0.510 105 L N 2.687 123.953 121.223 0.073 0.000 2.462 105 L HA 0.167 4.508 4.340 0.002 0.000 0.272 105 L C 1.496 178.409 176.870 0.072 0.000 1.166 105 L CA -0.212 54.662 54.840 0.056 0.000 0.880 105 L CB 0.703 42.776 42.059 0.023 0.000 1.142 105 L HN 0.101 nan 8.230 nan 0.000 0.473 106 V N 4.635 124.604 119.914 0.092 0.000 2.515 106 V HA -0.130 3.991 4.120 0.002 0.000 0.250 106 V C 0.881 176.949 176.094 -0.044 0.000 1.058 106 V CA 1.315 63.682 62.300 0.112 0.000 1.064 106 V CB -0.388 31.513 31.823 0.130 0.000 0.675 106 V HN 0.537 nan 8.190 nan 0.000 0.461 107 L N -0.922 120.263 121.223 -0.063 0.000 2.371 107 L HA 0.413 4.754 4.340 0.002 0.000 0.262 107 L C -1.379 175.467 176.870 -0.039 0.000 1.006 107 L CA -1.602 53.182 54.840 -0.094 0.000 0.818 107 L CB 1.773 43.756 42.059 -0.126 0.000 1.354 107 L HN -0.078 nan 8.230 nan 0.000 0.415 108 P HA -0.026 nan 4.420 nan 0.000 0.202 108 P C -0.362 176.938 177.300 0.000 0.000 1.189 108 P CA 0.426 63.524 63.100 -0.002 0.000 0.921 108 P CB 0.014 31.721 31.700 0.012 0.000 0.756 122 A N 1.213 124.038 122.820 0.008 0.000 1.883 122 A HA -0.207 4.114 4.320 0.002 0.000 0.217 122 A C 1.663 179.249 177.584 0.003 0.000 1.186 122 A CA 2.108 54.149 52.037 0.007 0.000 0.624 122 A CB -0.455 18.548 19.000 0.004 0.000 0.822 122 A HN 0.718 nan 8.150 nan 0.000 0.444 123 E N 0.084 120.286 120.200 0.002 0.000 2.049 123 E HA -0.310 4.041 4.350 0.002 0.000 0.198 123 E C 2.060 178.664 176.600 0.007 0.000 1.007 123 E CA 1.767 58.169 56.400 0.002 0.000 0.809 123 E CB -0.605 29.096 29.700 0.002 0.000 0.749 123 E HN 0.787 nan 8.360 nan 0.000 0.450 124 Q N 0.823 120.629 119.800 0.011 0.000 1.993 124 Q HA -0.127 4.214 4.340 0.002 0.000 0.202 124 Q C 2.335 178.349 176.000 0.024 0.000 0.984 124 Q CA 1.376 57.188 55.803 0.016 0.000 0.837 124 Q CB -0.426 28.321 28.738 0.014 0.000 0.902 124 Q HN 0.221 nan 8.270 nan 0.000 0.423 125 L N 0.026 121.265 121.223 0.027 0.000 2.046 125 L HA -0.124 4.217 4.340 0.002 0.000 0.208 125 L C 1.981 178.873 176.870 0.037 0.000 1.077 125 L CA 1.491 56.360 54.840 0.049 0.000 0.747 125 L CB -0.512 41.585 42.059 0.063 0.000 0.896 125 L HN 0.285 nan 8.230 nan 0.000 0.432 126 L N -0.830 120.394 121.223 0.002 0.000 2.141 126 L HA -0.150 4.191 4.340 0.002 0.000 0.209 126 L C 2.610 179.464 176.870 -0.027 0.000 1.094 126 L CA 1.714 56.529 54.840 -0.043 0.000 0.763 126 L CB -0.380 41.654 42.059 -0.041 0.000 0.908 126 L HN 0.601 nan 8.230 nan 0.000 0.437 127 S N -2.157 113.546 115.700 0.006 0.000 2.458 127 S HA -0.108 4.363 4.470 0.002 0.000 0.223 127 S C 1.836 176.468 174.600 0.054 0.000 1.019 127 S CA 0.397 58.610 58.200 0.022 0.000 0.937 127 S CB -0.223 62.990 63.200 0.020 0.000 0.788 127 S HN 0.564 nan 8.310 nan 0.000 0.511 128 Q N 0.790 120.630 119.800 0.066 0.000 2.167 128 Q HA 0.145 4.486 4.340 0.002 0.000 0.202 128 Q C 2.465 178.562 176.000 0.160 0.000 0.970 128 Q CA 1.373 57.240 55.803 0.106 0.000 0.855 128 Q CB -0.392 28.400 28.738 0.090 0.000 0.911 128 Q HN 0.791 nan 8.270 nan 0.000 0.438 129 A N 1.086 123.973 122.820 0.112 0.000 1.874 129 A HA -0.137 4.184 4.320 0.002 0.000 0.214 129 A C 1.945 179.604 177.584 0.126 0.000 1.189 129 A CA 0.895 52.995 52.037 0.106 0.000 0.615 129 A CB -0.252 18.603 19.000 -0.241 0.000 0.830 129 A HN 0.185 nan 8.150 nan 0.000 0.443 130 R N -0.242 120.286 120.500 0.047 0.000 2.080 130 R HA -0.197 4.144 4.340 0.002 0.000 0.236 130 R C 1.997 178.384 176.300 0.145 0.000 1.137 130 R CA 1.811 57.948 56.100 0.062 0.000 0.943 130 R CB -0.689 29.620 30.300 0.014 0.000 0.846 130 R HN 0.675 nan 8.270 nan 0.000 0.431 131 D N -0.043 120.447 120.400 0.150 0.000 2.182 131 D HA -0.201 4.440 4.640 0.002 0.000 0.201 131 D C 1.603 178.043 176.300 0.234 0.000 0.986 131 D CA 0.905 55.004 54.000 0.165 0.000 0.847 131 D CB -0.013 40.873 40.800 0.143 0.000 0.942 131 D HN 0.213 nan 8.370 nan 0.000 0.467 132 F N 0.390 120.437 119.950 0.161 0.000 2.187 132 F HA 0.007 4.535 4.527 0.002 0.000 0.295 132 F C 1.840 177.807 175.800 0.278 0.000 1.091 132 F CA 0.732 58.867 58.000 0.226 0.000 1.308 132 F CB -0.028 39.108 39.000 0.225 0.000 1.030 132 F HN -0.058 nan 8.300 nan 0.000 0.487 133 I N 1.117 121.840 120.570 0.255 0.000 2.226 133 I HA -0.300 3.870 4.170 0.002 0.000 0.245 133 I C 1.966 178.250 176.117 0.279 0.000 1.100 133 I CA 1.131 62.581 61.300 0.249 0.000 1.374 133 I CB -1.687 36.510 38.000 0.328 0.000 1.057 133 I HN 0.238 nan 8.210 nan 0.000 0.413 134 N N 1.251 120.106 118.700 0.258 0.000 2.036 134 N HA -0.233 4.508 4.740 0.002 0.000 0.195 134 N C 1.810 177.326 175.510 0.009 0.000 1.037 134 N CA 1.367 54.540 53.050 0.204 0.000 0.855 134 N CB -0.513 38.075 38.487 0.169 0.000 1.033 134 N HN 0.500 nan 8.380 nan 0.000 0.423 135 Q N -0.946 118.844 119.800 -0.017 0.000 2.234 135 Q HA -0.191 4.150 4.340 0.002 0.000 0.206 135 Q C 1.653 177.426 176.000 -0.378 0.000 0.980 135 Q CA 1.185 56.953 55.803 -0.059 0.000 0.869 135 Q CB -0.172 28.637 28.738 0.118 0.000 0.912 135 Q HN 0.521 nan 8.270 nan 0.000 0.436 136 Y N -0.524 119.371 120.300 -0.675 0.000 2.176 136 Y HA -0.219 4.332 4.550 0.002 0.000 0.291 136 Y C 1.619 177.054 175.900 -0.775 0.000 1.122 136 Y CA 1.337 58.788 58.100 -1.081 0.000 1.128 136 Y CB -0.288 37.653 38.460 -0.866 0.000 1.005 136 Y HN 0.009 nan 8.280 nan 0.000 0.509 137 Y N -0.714 119.298 120.300 -0.479 0.000 2.200 137 Y HA -0.195 4.356 4.550 0.002 0.000 0.290 137 Y C 3.062 178.645 175.900 -0.528 0.000 1.137 137 Y CA 1.802 59.584 58.100 -0.530 0.000 1.163 137 Y CB -0.874 37.257 38.460 -0.549 0.000 0.988 137 Y HN 0.151 nan 8.280 nan 0.000 0.518 138 S N -0.495 115.009 115.700 -0.326 0.000 2.387 138 S HA -0.246 4.225 4.470 0.002 0.000 0.230 138 S C 2.310 176.733 174.600 -0.295 0.000 1.035 138 S CA 1.752 59.798 58.200 -0.256 0.000 1.014 138 S CB -0.628 62.471 63.200 -0.169 0.000 0.836 138 S HN 0.602 nan 8.310 nan 0.000 0.466 139 S N 1.064 116.482 115.700 -0.470 0.000 2.461 139 S HA 0.038 4.509 4.470 0.002 0.000 0.228 139 S C 1.400 175.750 174.600 -0.417 0.000 1.005 139 S CA 0.686 58.637 58.200 -0.415 0.000 0.942 139 S CB -0.688 62.178 63.200 -0.557 0.000 0.776 139 S HN 0.757 nan 8.310 nan 0.000 0.514 140 I N -3.317 116.915 120.570 -0.564 0.000 3.889 140 I HA 0.507 4.678 4.170 0.002 0.000 0.332 140 I C 0.269 176.227 176.117 -0.266 0.000 1.493 140 I CA -0.618 60.429 61.300 -0.422 0.000 1.158 140 I CB 0.234 37.898 38.000 -0.559 0.000 1.117 140 I HN -0.141 nan 8.210 nan 0.000 0.411 141 K N 0.473 120.736 120.400 -0.228 0.000 3.529 141 K HA -0.193 4.128 4.320 0.002 0.000 0.313 141 K C 0.799 177.330 176.600 -0.115 0.000 1.316 141 K CA 0.993 57.193 56.287 -0.145 0.000 0.988 141 K CB -1.530 30.910 32.500 -0.101 0.000 1.252 141 K HN 0.424 nan 8.250 nan 0.000 0.438 142 R N 1.054 121.488 120.500 -0.111 0.000 2.346 142 R HA 0.103 4.444 4.340 0.002 0.000 0.225 142 R C 0.400 176.670 176.300 -0.050 0.000 0.987 142 R CA 0.061 56.152 56.100 -0.014 0.000 1.106 142 R CB -0.352 30.016 30.300 0.114 0.000 1.090 142 R HN 0.242 nan 8.270 nan 0.000 0.502 143 S N 0.433 116.038 115.700 -0.159 0.000 2.629 143 S HA 0.215 4.686 4.470 0.002 0.000 0.302 143 S C 1.277 175.802 174.600 -0.125 0.000 1.244 143 S CA 1.058 59.081 58.200 -0.297 0.000 1.098 143 S CB -0.150 62.919 63.200 -0.218 0.000 0.858 143 S HN 0.737 nan 8.310 nan 0.000 0.502 144 G N 3.312 112.125 108.800 0.022 0.000 2.175 144 G HA2 -0.264 3.697 3.960 0.002 0.000 0.244 144 G HA3 -0.264 3.697 3.960 0.002 0.000 0.244 144 G C 0.254 175.196 174.900 0.070 0.000 0.982 144 G CA 0.350 45.544 45.100 0.156 0.000 0.641 144 G HN 1.451 nan 8.290 nan 0.000 0.527 145 S N -0.782 114.942 115.700 0.039 0.000 2.632 145 S HA 0.594 5.065 4.470 0.002 0.000 0.267 145 S C 1.383 175.978 174.600 -0.008 0.000 1.193 145 S CA 0.331 58.539 58.200 0.014 0.000 1.003 145 S CB 0.939 64.153 63.200 0.022 0.000 1.073 145 S HN 0.184 nan 8.310 nan 0.000 0.553 146 Q N 0.447 120.242 119.800 -0.009 0.000 1.967 146 Q HA -0.096 4.245 4.340 0.002 0.000 0.202 146 Q C 2.649 178.621 176.000 -0.047 0.000 0.985 146 Q CA 1.828 57.617 55.803 -0.024 0.000 0.839 146 Q CB -1.263 27.473 28.738 -0.004 0.000 0.906 146 Q HN 0.918 nan 8.270 nan 0.000 0.423 147 A N 0.865 123.684 122.820 -0.002 0.000 2.032 147 A HA -0.259 4.062 4.320 0.002 0.000 0.221 147 A C 1.922 179.365 177.584 -0.236 0.000 1.165 147 A CA 1.883 53.937 52.037 0.028 0.000 0.645 147 A CB -0.917 18.215 19.000 0.220 0.000 0.807 147 A HN 0.535 nan 8.150 nan 0.000 0.453 148 H N -0.690 117.970 119.070 -0.684 0.000 2.284 148 H HA -0.085 4.472 4.556 0.002 0.000 0.304 148 H C 1.913 176.939 175.328 -0.503 0.000 1.069 148 H CA 1.272 56.624 56.048 -1.159 0.000 1.327 148 H CB 0.102 29.384 29.762 -0.801 0.000 1.387 148 H HN 0.474 nan 8.280 nan 0.000 0.498 149 E N 0.813 120.806 120.200 -0.345 0.000 2.085 149 E HA -0.183 4.168 4.350 0.002 0.000 0.194 149 E C 2.043 178.522 176.600 -0.201 0.000 0.994 149 E CA 1.232 57.461 56.400 -0.286 0.000 0.801 149 E CB -0.198 29.407 29.700 -0.159 0.000 0.743 149 E HN 0.684 nan 8.360 nan 0.000 0.453 150 E N 0.185 120.302 120.200 -0.137 0.000 2.216 150 E HA -0.107 4.244 4.350 0.002 0.000 0.192 150 E C 2.093 178.662 176.600 -0.052 0.000 0.988 150 E CA 0.428 56.785 56.400 -0.072 0.000 0.834 150 E CB 0.054 29.735 29.700 -0.031 0.000 0.772 150 E HN -0.067 nan 8.360 nan 0.000 0.479 151 R N 1.149 121.609 120.500 -0.067 0.000 2.075 151 R HA -0.022 4.319 4.340 0.002 0.000 0.226 151 R C 1.947 178.232 176.300 -0.024 0.000 1.114 151 R CA 1.039 57.147 56.100 0.014 0.000 0.972 151 R CB -0.578 29.804 30.300 0.137 0.000 0.869 151 R HN 0.127 nan 8.270 nan 0.000 0.437 152 L N 0.351 121.496 121.223 -0.130 0.000 2.043 152 L HA -0.261 4.080 4.340 0.002 0.000 0.212 152 L C 2.559 179.362 176.870 -0.111 0.000 1.075 152 L CA 1.921 56.672 54.840 -0.149 0.000 0.752 152 L CB -0.387 41.510 42.059 -0.269 0.000 0.891 152 L HN 0.354 nan 8.230 nan 0.000 0.432 153 Q N -0.673 119.068 119.800 -0.098 0.000 2.167 153 Q HA -0.199 4.142 4.340 0.002 0.000 0.202 153 Q C 2.111 178.089 176.000 -0.037 0.000 0.970 153 Q CA 1.212 56.976 55.803 -0.066 0.000 0.855 153 Q CB 0.084 28.788 28.738 -0.057 0.000 0.911 153 Q HN 0.483 nan 8.270 nan 0.000 0.438 154 E N -0.518 119.671 120.200 -0.017 0.000 2.077 154 E HA -0.174 4.177 4.350 0.002 0.000 0.193 154 E C 1.999 178.607 176.600 0.015 0.000 0.989 154 E CA 1.269 57.680 56.400 0.019 0.000 0.800 154 E CB 0.082 29.814 29.700 0.053 0.000 0.746 154 E HN 0.159 nan 8.360 nan 0.000 0.452 155 V N 2.176 122.067 119.914 -0.038 0.000 2.261 155 V HA -0.269 3.852 4.120 0.002 0.000 0.246 155 V C 2.238 178.252 176.094 -0.134 0.000 1.047 155 V CA 1.885 64.090 62.300 -0.159 0.000 1.015 155 V CB -0.518 31.120 31.823 -0.310 0.000 0.642 155 V HN 0.261 nan 8.190 nan 0.000 0.446 156 E N 0.712 120.854 120.200 -0.097 0.000 2.070 156 E HA -0.267 4.083 4.350 0.002 0.000 0.197 156 E C 2.347 178.927 176.600 -0.032 0.000 1.004 156 E CA 1.681 58.041 56.400 -0.068 0.000 0.805 156 E CB -0.583 29.085 29.700 -0.054 0.000 0.744 156 E HN 0.593 nan 8.360 nan 0.000 0.451 157 A N 1.482 124.292 122.820 -0.016 0.000 1.902 157 A HA -0.237 4.084 4.320 0.002 0.000 0.217 157 A C 2.129 179.730 177.584 0.030 0.000 1.181 157 A CA 1.764 53.806 52.037 0.007 0.000 0.623 157 A CB -0.523 18.485 19.000 0.013 0.000 0.818 157 A HN 0.274 nan 8.150 nan 0.000 0.443 158 E N -0.425 119.804 120.200 0.049 0.000 2.072 158 E HA -0.116 4.235 4.350 0.002 0.000 0.191 158 E C 1.910 178.563 176.600 0.089 0.000 0.985 158 E CA 1.342 57.800 56.400 0.097 0.000 0.801 158 E CB -0.071 29.735 29.700 0.177 0.000 0.750 158 E HN 0.371 nan 8.360 nan 0.000 0.452 159 V N 0.970 120.918 119.914 0.056 0.000 2.358 159 V HA -0.207 3.914 4.120 0.002 0.000 0.246 159 V C 2.357 178.469 176.094 0.030 0.000 1.047 159 V CA 1.616 63.946 62.300 0.049 0.000 1.035 159 V CB -0.724 31.105 31.823 0.010 0.000 0.658 159 V HN 0.361 nan 8.190 nan 0.000 0.452 160 A N -0.127 122.703 122.820 0.016 0.000 2.070 160 A HA -0.155 4.166 4.320 0.002 0.000 0.220 160 A C 2.346 179.942 177.584 0.020 0.000 1.159 160 A CA 2.226 54.270 52.037 0.012 0.000 0.656 160 A CB -0.345 18.657 19.000 0.004 0.000 0.800 160 A HN 0.560 nan 8.150 nan 0.000 0.453 161 S N -1.964 113.754 115.700 0.030 0.000 2.514 161 S HA 0.021 4.492 4.470 0.002 0.000 0.223 161 S C 1.646 176.270 174.600 0.039 0.000 1.046 161 S CA 0.906 59.125 58.200 0.033 0.000 0.914 161 S CB 0.273 63.495 63.200 0.036 0.000 0.807 161 S HN 0.840 nan 8.310 nan 0.000 0.497 162 T N -2.193 112.391 114.554 0.050 0.000 3.004 162 T HA 0.483 4.834 4.350 0.002 0.000 0.266 162 T C 1.508 176.235 174.700 0.044 0.000 0.986 162 T CA 0.874 63.007 62.100 0.055 0.000 0.902 162 T CB 0.480 69.397 68.868 0.083 0.000 1.118 162 T HN 0.530 nan 8.240 nan 0.000 0.522 163 G N 0.365 109.189 108.800 0.040 0.000 2.234 163 G HA2 -0.244 3.717 3.960 0.002 0.000 0.260 163 G HA3 -0.244 3.717 3.960 0.002 0.000 0.260 163 G C 0.256 175.178 174.900 0.037 0.000 0.987 163 G CA 0.717 45.835 45.100 0.030 0.000 0.625 163 G HN 1.008 nan 8.290 nan 0.000 0.532 164 T N -1.545 113.039 114.554 0.051 0.000 2.618 164 T HA 0.712 5.063 4.350 0.002 0.000 0.293 164 T C -1.339 173.449 174.700 0.147 0.000 1.093 164 T CA 0.527 62.661 62.100 0.057 0.000 1.061 164 T CB 1.413 70.228 68.868 -0.089 0.000 1.498 164 T HN 1.596 nan 8.240 nan 0.000 0.494 165 Y N -0.855 119.331 120.300 -0.190 0.000 2.788 165 Y HA 0.804 5.355 4.550 0.002 0.000 0.335 165 Y C -1.680 174.007 175.900 -0.356 0.000 1.287 165 Y CA -1.206 56.819 58.100 -0.125 0.000 1.068 165 Y CB 0.508 38.961 38.460 -0.011 0.000 1.340 165 Y HN 0.793 nan 8.280 nan 0.000 0.449 166 H N 0.322 119.336 119.070 -0.094 0.000 2.797 166 H HA 0.749 5.306 4.556 0.002 0.000 0.372 166 H C -1.067 174.243 175.328 -0.030 0.000 1.168 166 H CA -0.917 55.027 56.048 -0.173 0.000 1.163 166 H CB 1.942 31.679 29.762 -0.043 0.000 1.778 166 H HN 0.733 nan 8.280 nan 0.000 0.551 167 L N 1.799 123.071 121.223 0.081 0.000 2.360 167 L HA 0.502 4.843 4.340 0.002 0.000 0.271 167 L C 0.121 177.050 176.870 0.099 0.000 1.057 167 L CA -1.199 53.713 54.840 0.119 0.000 0.803 167 L CB 0.709 42.806 42.059 0.064 0.000 1.207 167 L HN 0.376 nan 8.230 nan 0.000 0.445 168 R N 1.021 121.564 120.500 0.073 0.000 2.531 168 R HA 0.083 4.424 4.340 0.002 0.000 0.273 168 R C 0.814 177.108 176.300 -0.009 0.000 1.070 168 R CA -0.413 55.703 56.100 0.026 0.000 1.112 168 R CB 0.316 30.621 30.300 0.009 0.000 1.049 168 R HN 0.664 nan 8.270 nan 0.000 0.508 169 E N 1.318 121.512 120.200 -0.010 0.000 2.049 169 E HA -0.273 4.078 4.350 0.002 0.000 0.198 169 E C 1.366 177.956 176.600 -0.018 0.000 1.007 169 E CA 2.427 58.814 56.400 -0.022 0.000 0.809 169 E CB 0.092 29.783 29.700 -0.016 0.000 0.749 169 E HN 0.673 nan 8.360 nan 0.000 0.450 170 S N 0.100 115.793 115.700 -0.012 0.000 2.387 170 S HA -0.267 4.204 4.470 0.002 0.000 0.230 170 S C 1.812 176.415 174.600 0.005 0.000 1.035 170 S CA 1.581 59.795 58.200 0.023 0.000 1.014 170 S CB -0.472 62.759 63.200 0.051 0.000 0.836 170 S HN 0.394 nan 8.310 nan 0.000 0.466 171 E N 1.003 121.098 120.200 -0.175 0.000 2.031 171 E HA -0.079 4.272 4.350 0.002 0.000 0.193 171 E C 2.122 178.863 176.600 0.234 0.000 0.994 171 E CA 1.235 57.556 56.400 -0.131 0.000 0.800 171 E CB -0.406 29.225 29.700 -0.115 0.000 0.752 171 E HN 0.454 nan 8.360 nan 0.000 0.447 172 L N 0.970 122.237 121.223 0.074 0.000 2.043 172 L HA -0.211 4.130 4.340 0.002 0.000 0.212 172 L C 2.270 179.140 176.870 -0.000 0.000 1.075 172 L CA 1.426 56.244 54.840 -0.036 0.000 0.752 172 L CB -0.331 41.630 42.059 -0.163 0.000 0.891 172 L HN -0.025 nan 8.230 nan 0.000 0.432 173 V N -0.543 119.394 119.914 0.038 0.000 2.287 173 V HA -0.338 3.783 4.120 0.002 0.000 0.248 173 V C 2.305 178.497 176.094 0.164 0.000 1.053 173 V CA 2.248 64.583 62.300 0.057 0.000 1.027 173 V CB -0.879 30.974 31.823 0.051 0.000 0.646 173 V HN 0.610 nan 8.190 nan 0.000 0.447 174 F N 1.874 121.918 119.950 0.155 0.000 2.134 174 F HA -0.053 4.475 4.527 0.002 0.000 0.299 174 F C 2.103 178.058 175.800 0.259 0.000 1.097 174 F CA 1.724 59.863 58.000 0.232 0.000 1.264 174 F CB -0.814 38.395 39.000 0.349 0.000 1.001 174 F HN 0.121 nan 8.300 nan 0.000 0.479 175 G N -0.301 108.599 108.800 0.168 0.000 2.402 175 G HA2 -0.142 3.818 3.960 0.002 0.000 0.216 175 G HA3 -0.142 3.818 3.960 0.002 0.000 0.216 175 G C 1.826 176.649 174.900 -0.129 0.000 1.162 175 G CA 0.708 45.852 45.100 0.073 0.000 0.777 175 G HN 0.619 nan 8.290 nan 0.000 0.539 176 A N 1.158 123.915 122.820 -0.105 0.000 1.858 176 A HA -0.033 4.288 4.320 0.002 0.000 0.216 176 A C 2.291 179.890 177.584 0.025 0.000 1.190 176 A CA 2.022 54.001 52.037 -0.096 0.000 0.617 176 A CB -0.421 18.545 19.000 -0.057 0.000 0.827 176 A HN 0.364 nan 8.150 nan 0.000 0.443 177 K N -1.080 119.370 120.400 0.083 0.000 2.103 177 K HA -0.210 4.111 4.320 0.002 0.000 0.207 177 K C 2.328 179.028 176.600 0.167 0.000 1.048 177 K CA 1.679 58.118 56.287 0.255 0.000 0.930 177 K CB -0.118 32.550 32.500 0.279 0.000 0.716 177 K HN 0.464 nan 8.250 nan 0.000 0.444 178 Q N 0.441 120.162 119.800 -0.132 0.000 2.123 178 Q HA -0.015 4.326 4.340 0.002 0.000 0.199 178 Q C 1.879 177.778 176.000 -0.169 0.000 0.966 178 Q CA 1.470 57.109 55.803 -0.272 0.000 0.845 178 Q CB -0.133 28.296 28.738 -0.514 0.000 0.907 178 Q HN 0.333 nan 8.270 nan 0.000 0.439 179 A N -0.468 122.249 122.820 -0.172 0.000 1.908 179 A HA -0.202 4.119 4.320 0.002 0.000 0.218 179 A C 1.813 179.459 177.584 0.103 0.000 1.181 179 A CA 1.530 53.404 52.037 -0.271 0.000 0.627 179 A CB -1.191 17.289 19.000 -0.865 0.000 0.818 179 A HN 0.692 nan 8.150 nan 0.000 0.445 180 W N 0.824 122.187 121.300 0.105 0.000 2.354 180 W HA -0.138 4.522 4.660 0.001 0.000 0.315 180 W C 2.398 178.919 176.519 0.003 0.000 1.206 180 W CA 1.583 59.012 57.345 0.140 0.000 1.290 180 W CB -0.865 28.650 29.460 0.092 0.000 1.152 180 W HN 0.365 nan 8.180 nan 0.000 0.489 181 R N 0.215 120.698 120.500 -0.028 0.000 2.113 181 R HA -0.237 4.104 4.340 0.002 0.000 0.244 181 R C 1.710 177.882 176.300 -0.214 0.000 1.142 181 R CA 2.063 57.927 56.100 -0.394 0.000 0.953 181 R CB -0.725 29.066 30.300 -0.850 0.000 0.860 181 R HN 0.141 nan 8.270 nan 0.000 0.438 182 N N 0.129 118.751 118.700 -0.129 0.000 2.515 182 N HA -0.008 4.733 4.740 0.002 0.000 0.185 182 N C -0.382 175.109 175.510 -0.031 0.000 1.109 182 N CA 0.698 53.692 53.050 -0.093 0.000 0.903 182 N CB 0.277 38.712 38.487 -0.087 0.000 0.969 182 N HN 0.194 nan 8.380 nan 0.000 0.450 183 A N 1.905 124.760 122.820 0.059 0.000 2.457 183 A HA 0.276 4.597 4.320 0.002 0.000 0.298 183 A C -1.309 176.288 177.584 0.022 0.000 1.288 183 A CA -1.046 51.041 52.037 0.083 0.000 0.956 183 A CB 0.393 19.503 19.000 0.184 0.000 1.135 183 A HN -0.010 nan 8.150 nan 0.000 0.535 184 P HA -0.089 nan 4.420 nan 0.000 0.222 184 P C 0.973 178.229 177.300 -0.073 0.000 1.147 184 P CA 1.060 64.117 63.100 -0.070 0.000 0.790 184 P CB 0.180 31.797 31.700 -0.138 0.000 0.780 185 R N -2.113 118.317 120.500 -0.116 0.000 2.359 185 R HA 0.178 4.519 4.340 0.002 0.000 0.231 185 R C 0.052 176.361 176.300 0.015 0.000 0.913 185 R CA -0.165 55.868 56.100 -0.112 0.000 1.075 185 R CB -0.281 29.757 30.300 -0.436 0.000 1.087 185 R HN 0.147 nan 8.270 nan 0.000 0.515 186 C N 0.695 119.996 119.300 0.001 0.000 2.246 186 C HA 0.217 4.678 4.460 0.002 0.000 0.329 186 C C 1.916 176.843 174.990 -0.105 0.000 1.221 186 C CA -0.638 58.400 59.018 0.033 0.000 1.697 186 C CB 0.408 28.250 27.740 0.170 0.000 2.312 186 C HN 0.283 nan 8.230 nan 0.000 0.509 187 V N 5.936 125.733 119.914 -0.195 0.000 3.217 187 V HA 0.125 4.246 4.120 0.002 0.000 0.264 187 V C 1.915 177.982 176.094 -0.045 0.000 1.135 187 V CA 2.313 64.374 62.300 -0.399 0.000 1.142 187 V CB -0.183 31.450 31.823 -0.318 0.000 0.754 187 V HN 1.071 nan 8.190 nan 0.000 0.484 188 G N -0.809 108.023 108.800 0.052 0.000 3.233 188 G HA2 -0.006 3.955 3.960 0.002 0.000 0.227 188 G HA3 -0.006 3.955 3.960 0.002 0.000 0.227 188 G C 1.309 176.216 174.900 0.013 0.000 1.175 188 G CA -0.309 44.845 45.100 0.091 0.000 0.781 188 G HN 0.438 nan 8.290 nan 0.000 0.542 189 R N -0.348 120.080 120.500 -0.121 0.000 2.328 189 R HA 0.034 4.375 4.340 0.002 0.000 0.207 189 R C 2.013 177.822 176.300 -0.819 0.000 1.056 189 R CA 0.055 55.782 56.100 -0.621 0.000 1.016 189 R CB -0.170 29.817 30.300 -0.521 0.000 0.872 189 R HN 0.398 nan 8.270 nan 0.000 0.471 190 I N 1.161 121.447 120.570 -0.472 0.000 2.335 190 I HA -0.274 3.897 4.170 0.002 0.000 0.251 190 I C 1.657 177.659 176.117 -0.191 0.000 1.129 190 I CA 1.680 62.868 61.300 -0.186 0.000 1.402 190 I CB 0.068 38.078 38.000 0.017 0.000 1.069 190 I HN 0.081 nan 8.210 nan 0.000 0.424 191 Q N 0.040 119.653 119.800 -0.312 0.000 2.403 191 Q HA -0.069 4.272 4.340 0.002 0.000 0.203 191 Q C 1.696 177.259 176.000 -0.728 0.000 0.932 191 Q CA 0.433 56.046 55.803 -0.316 0.000 0.945 191 Q CB -0.374 28.338 28.738 -0.044 0.000 1.045 191 Q HN 0.822 nan 8.270 nan 0.000 0.511 192 W N -0.451 120.173 121.300 -1.127 0.000 2.350 192 W HA -0.083 4.578 4.660 0.002 0.000 0.289 192 W C 1.158 177.410 176.519 -0.444 0.000 1.215 192 W CA 1.166 57.697 57.345 -1.357 0.000 1.236 192 W CB -1.171 27.726 29.460 -0.939 0.000 1.130 192 W HN 0.090 nan 8.180 nan 0.000 0.541 193 G N 1.071 109.267 108.800 -1.006 0.000 2.712 193 G HA2 -0.109 3.852 3.960 0.002 0.000 0.212 193 G HA3 -0.109 3.852 3.960 0.002 0.000 0.212 193 G C 0.603 175.323 174.900 -0.301 0.000 1.142 193 G CA -0.232 44.369 45.100 -0.831 0.000 0.789 193 G HN 0.193 nan 8.290 nan 0.000 0.535 194 K N 0.314 120.624 120.400 -0.151 0.000 2.299 194 K HA 0.555 4.876 4.320 0.002 0.000 0.268 194 K C -1.730 174.993 176.600 0.205 0.000 1.075 194 K CA -0.658 55.645 56.287 0.026 0.000 0.936 194 K CB 0.566 33.102 32.500 0.058 0.000 1.228 194 K HN 0.058 nan 8.250 nan 0.000 0.454 195 L N 3.761 125.067 121.223 0.138 0.000 2.661 195 L HA 0.201 4.542 4.340 0.002 0.000 0.263 195 L C -1.425 175.427 176.870 -0.029 0.000 0.956 195 L CA -0.351 54.569 54.840 0.134 0.000 0.918 195 L CB 1.864 44.068 42.059 0.242 0.000 1.280 195 L HN 0.547 nan 8.230 nan 0.000 0.416 196 Q N 2.979 122.708 119.800 -0.119 0.000 2.281 196 Q HA 0.479 4.820 4.340 0.002 0.000 0.267 196 Q C -1.386 174.263 176.000 -0.585 0.000 1.053 196 Q CA 0.157 55.703 55.803 -0.427 0.000 0.905 196 Q CB 1.023 29.365 28.738 -0.661 0.000 1.195 196 Q HN 0.518 nan 8.270 nan 0.000 0.398 197 V N 6.639 126.220 119.914 -0.555 0.000 2.350 197 V HA 0.364 4.485 4.120 0.002 0.000 0.276 197 V C -0.701 175.037 176.094 -0.594 0.000 1.028 197 V CA -0.468 61.569 62.300 -0.438 0.000 0.860 197 V CB 0.203 31.891 31.823 -0.225 0.000 0.990 197 V HN 0.633 nan 8.190 nan 0.000 0.453 198 F N 2.697 122.533 119.950 -0.191 0.000 2.404 198 F HA 0.381 4.909 4.527 0.002 0.000 0.354 198 F C 0.473 176.121 175.800 -0.253 0.000 1.122 198 F CA -1.008 56.874 58.000 -0.196 0.000 1.080 198 F CB 1.059 39.956 39.000 -0.171 0.000 1.131 198 F HN 0.403 nan 8.300 nan 0.000 0.471 199 D N 3.052 123.430 120.400 -0.037 0.000 2.365 199 D HA 0.378 5.019 4.640 0.002 0.000 0.237 199 D C 0.150 176.290 176.300 -0.267 0.000 1.190 199 D CA 0.068 53.976 54.000 -0.154 0.000 0.867 199 D CB 1.147 41.895 40.800 -0.085 0.000 1.050 199 D HN 0.616 nan 8.370 nan 0.000 0.491 200 A N 4.525 127.011 122.820 -0.556 0.000 2.630 200 A HA 0.162 4.483 4.320 0.002 0.000 0.290 200 A C 1.549 178.844 177.584 -0.481 0.000 1.267 200 A CA -0.378 51.093 52.037 -0.945 0.000 0.950 200 A CB 0.016 17.908 19.000 -1.847 0.000 1.144 200 A HN 0.550 nan 8.150 nan 0.000 0.527 201 R N 0.765 121.116 120.500 -0.248 0.000 2.276 201 R HA -0.042 4.299 4.340 0.002 0.000 0.203 201 R C 0.317 176.577 176.300 -0.068 0.000 1.017 201 R CA 1.011 57.038 56.100 -0.121 0.000 1.010 201 R CB 0.063 30.350 30.300 -0.022 0.000 0.900 201 R HN 0.620 nan 8.270 nan 0.000 0.469 202 D N -0.002 120.378 120.400 -0.033 0.000 2.690 202 D HA -0.032 4.608 4.640 0.002 0.000 0.236 202 D C -0.478 175.889 176.300 0.112 0.000 1.218 202 D CA -0.299 53.728 54.000 0.045 0.000 0.829 202 D CB -0.499 40.344 40.800 0.072 0.000 1.009 202 D HN -0.023 nan 8.370 nan 0.000 0.482 203 C N 1.035 120.368 119.300 0.055 0.000 2.330 203 C HA 0.563 5.024 4.460 0.002 0.000 0.344 203 C C 1.451 176.537 174.990 0.159 0.000 1.273 203 C CA 0.080 59.190 59.018 0.155 0.000 1.879 203 C CB 0.469 28.296 27.740 0.145 0.000 2.376 203 C HN 0.503 nan 8.230 nan 0.000 0.534 204 S N 2.312 118.167 115.700 0.259 0.000 2.787 204 S HA 0.294 4.765 4.470 0.002 0.000 0.255 204 S C 0.006 174.782 174.600 0.293 0.000 1.051 204 S CA 0.308 58.699 58.200 0.318 0.000 1.124 204 S CB -0.176 63.145 63.200 0.202 0.000 1.104 204 S HN 1.242 nan 8.310 nan 0.000 0.623 205 S N -0.348 115.514 115.700 0.270 0.000 2.579 205 S HA 0.814 5.285 4.470 0.002 0.000 0.272 205 S C 0.867 175.567 174.600 0.166 0.000 1.141 205 S CA -0.278 58.035 58.200 0.189 0.000 0.843 205 S CB 1.034 64.316 63.200 0.136 0.000 1.122 205 S HN 0.590 nan 8.310 nan 0.000 0.468 206 A N 0.999 123.891 122.820 0.120 0.000 1.972 206 A HA -0.074 4.247 4.320 0.002 0.000 0.219 206 A C 2.122 179.668 177.584 -0.063 0.000 1.169 206 A CA 1.646 53.724 52.037 0.068 0.000 0.635 206 A CB -0.992 18.123 19.000 0.192 0.000 0.810 206 A HN 0.741 nan 8.150 nan 0.000 0.446 207 Q N 0.078 119.944 119.800 0.111 0.000 2.077 207 Q HA -0.214 4.127 4.340 0.002 0.000 0.206 207 Q C 1.878 177.878 176.000 -0.001 0.000 0.989 207 Q CA 2.255 58.099 55.803 0.068 0.000 0.853 207 Q CB -0.390 28.448 28.738 0.167 0.000 0.907 207 Q HN 0.826 nan 8.270 nan 0.000 0.418 208 E N -0.726 119.513 120.200 0.065 0.000 2.072 208 E HA -0.108 4.243 4.350 0.002 0.000 0.190 208 E C 2.171 178.892 176.600 0.201 0.000 0.982 208 E CA 0.821 57.283 56.400 0.103 0.000 0.803 208 E CB -0.088 29.721 29.700 0.181 0.000 0.755 208 E HN 0.337 nan 8.360 nan 0.000 0.453 209 M N 0.055 119.743 119.600 0.147 0.000 2.089 209 M HA -0.228 4.253 4.480 0.002 0.000 0.257 209 M C 2.270 178.593 176.300 0.038 0.000 1.071 209 M CA 1.541 56.845 55.300 0.006 0.000 1.096 209 M CB -0.490 31.911 32.600 -0.331 0.000 1.330 209 M HN 0.158 nan 8.290 nan 0.000 0.403 210 F N 1.321 121.049 119.950 -0.371 0.000 2.102 210 F HA -0.180 4.348 4.527 0.002 0.000 0.298 210 F C 2.360 178.049 175.800 -0.185 0.000 1.105 210 F CA 1.956 59.689 58.000 -0.445 0.000 1.239 210 F CB -0.876 37.535 39.000 -0.980 0.000 0.991 210 F HN 0.062 nan 8.300 nan 0.000 0.474 211 T N -0.301 114.076 114.554 -0.296 0.000 2.652 211 T HA -0.255 4.096 4.350 0.002 0.000 0.267 211 T C 1.747 176.287 174.700 -0.266 0.000 1.039 211 T CA 1.987 63.865 62.100 -0.370 0.000 1.153 211 T CB -0.834 67.860 68.868 -0.291 0.000 0.863 211 T HN 0.284 nan 8.240 nan 0.000 0.428 212 Y N 1.002 121.254 120.300 -0.081 0.000 2.207 212 Y HA -0.043 4.508 4.550 0.002 0.000 0.287 212 Y C 2.227 178.104 175.900 -0.038 0.000 1.156 212 Y CA 0.531 58.612 58.100 -0.032 0.000 1.182 212 Y CB -0.549 38.013 38.460 0.171 0.000 0.979 212 Y HN 0.228 nan 8.280 nan 0.000 0.521 213 I N -1.989 118.683 120.570 0.170 0.000 2.353 213 I HA -0.304 3.867 4.170 0.002 0.000 0.248 213 I C 2.201 178.289 176.117 -0.048 0.000 1.119 213 I CA 0.699 62.046 61.300 0.078 0.000 1.417 213 I CB -0.414 37.626 38.000 0.067 0.000 1.078 213 I HN 0.251 nan 8.210 nan 0.000 0.421 214 C N 0.728 119.893 119.300 -0.225 0.000 2.440 214 C HA -0.102 4.359 4.460 0.002 0.000 0.278 214 C C 2.603 177.502 174.990 -0.152 0.000 1.295 214 C CA 0.714 59.573 59.018 -0.265 0.000 1.738 214 C CB -1.300 26.133 27.740 -0.511 0.000 1.987 214 C HN 0.541 nan 8.230 nan 0.000 0.492 215 N N 0.006 118.604 118.700 -0.169 0.000 2.188 215 N HA -0.133 4.608 4.740 0.002 0.000 0.184 215 N C 1.444 176.857 175.510 -0.160 0.000 1.018 215 N CA 1.341 54.281 53.050 -0.183 0.000 0.858 215 N CB -0.737 37.582 38.487 -0.279 0.000 0.989 215 N HN 0.747 nan 8.380 nan 0.000 0.426 216 H N 0.608 119.533 119.070 -0.240 0.000 2.321 216 H HA 0.050 4.607 4.556 0.002 0.000 0.300 216 H C 2.138 177.490 175.328 0.039 0.000 1.087 216 H CA 1.551 57.516 56.048 -0.138 0.000 1.319 216 H CB -0.041 29.692 29.762 -0.048 0.000 1.379 216 H HN 0.084 nan 8.280 nan 0.000 0.501 217 I N 0.909 121.619 120.570 0.232 0.000 2.127 217 I HA -0.292 3.879 4.170 0.002 0.000 0.241 217 I C 2.691 178.873 176.117 0.108 0.000 1.075 217 I CA 1.450 62.851 61.300 0.169 0.000 1.334 217 I CB -0.384 37.660 38.000 0.075 0.000 1.040 217 I HN 0.309 nan 8.210 nan 0.000 0.405 218 K N 1.062 121.493 120.400 0.053 0.000 2.063 218 K HA -0.282 4.039 4.320 0.002 0.000 0.208 218 K C 2.243 178.874 176.600 0.053 0.000 1.048 218 K CA 1.958 58.264 56.287 0.032 0.000 0.928 218 K CB -0.729 31.771 32.500 -0.001 0.000 0.713 218 K HN 0.358 nan 8.250 nan 0.000 0.442 219 Y N 0.835 121.130 120.300 -0.009 0.000 2.163 219 Y HA -0.128 4.423 4.550 0.002 0.000 0.288 219 Y C 2.236 178.177 175.900 0.067 0.000 1.136 219 Y CA 2.323 60.449 58.100 0.043 0.000 1.147 219 Y CB -0.391 38.136 38.460 0.112 0.000 0.987 219 Y HN 0.178 nan 8.280 nan 0.000 0.509 220 A N -1.151 121.794 122.820 0.208 0.000 2.014 220 A HA -0.066 4.255 4.320 0.002 0.000 0.218 220 A C 2.089 179.734 177.584 0.102 0.000 1.163 220 A CA 1.850 54.000 52.037 0.188 0.000 0.652 220 A CB -0.974 18.160 19.000 0.224 0.000 0.808 220 A HN 0.511 nan 8.150 nan 0.000 0.449 221 T N -0.662 113.938 114.554 0.076 0.000 2.814 221 T HA -0.006 4.345 4.350 0.002 0.000 0.254 221 T C 0.907 175.610 174.700 0.004 0.000 1.037 221 T CA 0.593 62.731 62.100 0.064 0.000 1.143 221 T CB -0.445 68.465 68.868 0.070 0.000 0.866 221 T HN 0.704 nan 8.240 nan 0.000 0.431 222 N N 1.004 119.678 118.700 -0.044 0.000 2.696 222 N HA -0.259 4.482 4.740 0.002 0.000 0.256 222 N C -0.666 174.815 175.510 -0.048 0.000 1.031 222 N CA -0.008 52.992 53.050 -0.083 0.000 0.730 222 N CB -0.445 37.950 38.487 -0.153 0.000 0.894 222 N HN 0.257 nan 8.380 nan 0.000 0.544 223 R N -1.368 119.115 120.500 -0.028 0.000 3.722 223 R HA -0.257 4.084 4.340 0.002 0.000 0.284 223 R C 1.344 177.629 176.300 -0.024 0.000 1.165 223 R CA 1.643 57.729 56.100 -0.023 0.000 0.779 223 R CB -1.840 28.443 30.300 -0.029 0.000 1.179 223 R HN 0.900 nan 8.270 nan 0.000 0.491 224 G N -1.295 107.498 108.800 -0.011 0.000 2.284 224 G HA2 -0.307 3.654 3.960 0.002 0.000 0.201 224 G HA3 -0.307 3.654 3.960 0.002 0.000 0.201 224 G C -0.017 174.877 174.900 -0.010 0.000 0.998 224 G CA -0.036 45.061 45.100 -0.006 0.000 0.651 224 G HN 0.459 nan 8.290 nan 0.000 0.489 225 N N 1.251 119.933 118.700 -0.031 0.000 3.188 225 N HA 0.426 5.167 4.740 0.002 0.000 0.279 225 N C 0.102 175.593 175.510 -0.031 0.000 1.213 225 N CA -0.652 52.365 53.050 -0.056 0.000 1.138 225 N CB -0.058 38.389 38.487 -0.067 0.000 1.417 225 N HN 0.125 nan 8.380 nan 0.000 0.526 226 L N 2.278 123.510 121.223 0.015 0.000 2.525 226 L HA 0.055 4.396 4.340 0.002 0.000 0.278 226 L C 0.639 177.640 176.870 0.217 0.000 1.218 226 L CA 1.063 55.992 54.840 0.149 0.000 0.878 226 L CB 0.241 42.480 42.059 0.299 0.000 1.127 226 L HN 0.350 nan 8.230 nan 0.000 0.492 227 R N 1.598 122.230 120.500 0.220 0.000 2.513 227 R HA 0.422 4.762 4.340 0.002 0.000 0.301 227 R C -0.537 175.947 176.300 0.307 0.000 0.968 227 R CA -0.616 55.642 56.100 0.263 0.000 0.872 227 R CB 1.563 31.927 30.300 0.107 0.000 1.177 227 R HN 0.636 nan 8.270 nan 0.000 0.444 228 S N 1.651 117.533 115.700 0.302 0.000 2.549 228 S HA 0.398 4.869 4.470 0.002 0.000 0.286 228 S C -0.146 174.514 174.600 0.101 0.000 1.314 228 S CA -0.355 57.918 58.200 0.121 0.000 1.062 228 S CB 1.216 64.426 63.200 0.016 0.000 0.865 228 S HN 0.698 nan 8.310 nan 0.000 0.498 229 A N 2.660 125.503 122.820 0.037 0.000 2.594 229 A HA 0.867 5.187 4.320 0.002 0.000 0.291 229 A C -1.071 176.558 177.584 0.076 0.000 1.105 229 A CA -0.719 51.282 52.037 -0.059 0.000 0.694 229 A CB 1.254 20.158 19.000 -0.159 0.000 1.291 229 A HN 0.795 nan 8.150 nan 0.000 0.410 230 I N -0.027 120.592 120.570 0.083 0.000 2.865 230 I HA 0.681 4.852 4.170 0.002 0.000 0.302 230 I C -1.093 175.192 176.117 0.281 0.000 1.140 230 I CA -0.234 61.236 61.300 0.283 0.000 1.021 230 I CB 2.576 40.669 38.000 0.155 0.000 1.233 230 I HN 0.645 nan 8.210 nan 0.000 0.427 231 T N 5.236 119.936 114.554 0.243 0.000 2.881 231 T HA 0.464 4.815 4.350 0.002 0.000 0.290 231 T C -1.087 173.424 174.700 -0.315 0.000 1.000 231 T CA -0.382 61.703 62.100 -0.025 0.000 0.978 231 T CB 1.880 70.702 68.868 -0.078 0.000 0.997 231 T HN 0.226 nan 8.240 nan 0.000 0.443 232 V N 4.571 124.204 119.914 -0.468 0.000 2.304 232 V HA 0.455 4.576 4.120 0.002 0.000 0.278 232 V C -0.458 175.334 176.094 -0.503 0.000 1.018 232 V CA -0.836 61.232 62.300 -0.388 0.000 0.814 232 V CB -0.160 31.432 31.823 -0.384 0.000 1.021 232 V HN 0.740 nan 8.190 nan 0.000 0.440 233 F N 5.252 125.131 119.950 -0.118 0.000 2.390 233 F HA 0.421 4.949 4.527 0.002 0.000 0.307 233 F C -1.673 174.030 175.800 -0.161 0.000 1.227 233 F CA -2.130 55.728 58.000 -0.237 0.000 1.179 233 F CB -0.035 38.824 39.000 -0.236 0.000 1.280 233 F HN 0.277 nan 8.300 nan 0.000 0.548 234 P HA 0.013 nan 4.420 nan 0.000 0.267 234 P C -0.960 176.352 177.300 0.020 0.000 1.200 234 P CA -0.264 62.745 63.100 -0.151 0.000 0.772 234 P CB 0.280 31.711 31.700 -0.449 0.000 0.855 235 Q N 3.306 123.079 119.800 -0.044 0.000 2.535 235 Q HA 0.165 4.506 4.340 0.002 0.000 0.228 235 Q C -0.115 175.798 176.000 -0.145 0.000 1.062 235 Q CA -0.333 55.245 55.803 -0.375 0.000 0.967 235 Q CB 0.534 28.818 28.738 -0.756 0.000 1.273 235 Q HN 0.335 nan 8.270 nan 0.000 0.554 236 R N -0.212 120.166 120.500 -0.203 0.000 2.774 236 R HA 0.506 4.847 4.340 0.002 0.000 0.269 236 R C -0.678 175.563 176.300 -0.099 0.000 1.068 236 R CA 0.237 56.284 56.100 -0.090 0.000 1.180 236 R CB 0.472 30.715 30.300 -0.094 0.000 1.077 236 R HN 0.760 nan 8.270 nan 0.000 0.513 237 A N 1.853 124.647 122.820 -0.043 0.000 2.491 237 A HA 0.324 4.645 4.320 0.002 0.000 0.293 237 A C -2.034 175.539 177.584 -0.019 0.000 1.047 237 A CA -1.226 50.791 52.037 -0.034 0.000 0.735 237 A CB 1.562 20.567 19.000 0.007 0.000 1.281 237 A HN 0.501 nan 8.150 nan 0.000 0.398 238 P HA -0.181 nan 4.420 nan 0.000 0.216 238 P C 1.635 178.933 177.300 -0.004 0.000 1.150 238 P CA 2.105 65.197 63.100 -0.014 0.000 0.843 238 P CB 0.026 31.719 31.700 -0.012 0.000 0.787 239 G N 0.226 109.028 108.800 0.003 0.000 2.450 239 G HA2 -0.177 3.784 3.960 0.002 0.000 0.220 239 G HA3 -0.177 3.784 3.960 0.002 0.000 0.220 239 G C 0.942 175.845 174.900 0.005 0.000 1.130 239 G CA 0.914 46.019 45.100 0.008 0.000 0.760 239 G HN 0.492 nan 8.290 nan 0.000 0.557 240 R N -2.774 117.727 120.500 0.002 0.000 2.762 240 R HA 0.603 4.943 4.340 0.002 0.000 0.271 240 R C 0.145 176.437 176.300 -0.013 0.000 1.038 240 R CA -0.357 55.739 56.100 -0.005 0.000 0.906 240 R CB 0.032 30.328 30.300 -0.007 0.000 1.259 240 R HN 0.084 nan 8.270 nan 0.000 0.457 241 G N -0.215 108.568 108.800 -0.028 0.000 2.634 241 G HA2 0.281 4.242 3.960 0.002 0.000 0.255 241 G HA3 0.281 4.242 3.960 0.002 0.000 0.255 241 G C -0.934 173.938 174.900 -0.047 0.000 1.205 241 G CA -0.463 44.618 45.100 -0.032 0.000 0.884 241 G HN 0.531 nan 8.290 nan 0.000 0.549 242 D N -0.481 119.907 120.400 -0.022 0.000 2.225 242 D HA 0.277 4.918 4.640 0.002 0.000 0.249 242 D C -0.078 176.211 176.300 -0.018 0.000 1.052 242 D CA -0.027 53.986 54.000 0.022 0.000 0.909 242 D CB 1.225 42.055 40.800 0.049 0.000 1.186 242 D HN 0.095 nan 8.370 nan 0.000 0.431 243 F N 1.871 121.843 119.950 0.037 0.000 2.578 243 F HA 0.129 4.657 4.527 0.002 0.000 0.376 243 F C 1.287 177.113 175.800 0.043 0.000 1.085 243 F CA 0.469 58.486 58.000 0.028 0.000 1.260 243 F CB 0.451 39.474 39.000 0.039 0.000 1.095 243 F HN -0.144 nan 8.300 nan 0.000 0.573 244 R N 3.660 124.277 120.500 0.196 0.000 2.626 244 R HA 0.487 4.828 4.340 0.002 0.000 0.274 244 R C -1.312 175.101 176.300 0.188 0.000 1.031 244 R CA -0.921 55.295 56.100 0.192 0.000 0.898 244 R CB 2.014 32.456 30.300 0.236 0.000 1.222 244 R HN 0.593 nan 8.270 nan 0.000 0.455 245 I N 1.924 122.589 120.570 0.158 0.000 2.330 245 I HA 0.182 4.353 4.170 0.002 0.000 0.289 245 I C 0.579 176.859 176.117 0.271 0.000 1.001 245 I CA -0.427 60.965 61.300 0.153 0.000 1.193 245 I CB 1.147 39.183 38.000 0.060 0.000 1.345 245 I HN 0.522 nan 8.210 nan 0.000 0.461 246 W N 3.531 124.846 121.300 0.025 0.000 2.388 246 W HA -0.076 4.585 4.660 0.002 0.000 0.294 246 W C 1.039 177.627 176.519 0.114 0.000 1.212 246 W CA 0.189 57.601 57.345 0.112 0.000 1.271 246 W CB -0.784 28.734 29.460 0.097 0.000 1.126 246 W HN 0.409 nan 8.180 nan 0.000 0.535 247 N N -0.035 118.813 118.700 0.246 0.000 2.441 247 N HA -0.025 4.716 4.740 0.002 0.000 0.251 247 N C 1.421 176.981 175.510 0.084 0.000 1.242 247 N CA 0.923 54.049 53.050 0.128 0.000 0.898 247 N CB 0.850 39.356 38.487 0.031 0.000 1.100 247 N HN -0.074 nan 8.380 nan 0.000 0.443 248 S N 1.207 116.952 115.700 0.076 0.000 2.395 248 S HA -0.019 4.452 4.470 0.002 0.000 0.225 248 S C 0.286 174.879 174.600 -0.013 0.000 1.027 248 S CA 0.631 58.858 58.200 0.046 0.000 0.965 248 S CB 0.107 63.366 63.200 0.099 0.000 0.812 248 S HN 0.642 nan 8.310 nan 0.000 0.482 249 Q N -0.476 119.308 119.800 -0.028 0.000 2.423 249 Q HA 0.540 4.881 4.340 0.002 0.000 0.278 249 Q C 0.390 176.311 176.000 -0.131 0.000 1.097 249 Q CA -0.556 55.191 55.803 -0.092 0.000 0.809 249 Q CB 2.011 30.718 28.738 -0.053 0.000 1.391 249 Q HN 0.103 nan 8.270 nan 0.000 0.428 250 L N 0.140 121.266 121.223 -0.161 0.000 2.079 250 L HA -0.052 4.289 4.340 0.002 0.000 0.210 250 L C 0.407 177.147 176.870 -0.216 0.000 1.081 250 L CA 0.980 55.727 54.840 -0.155 0.000 0.752 250 L CB -0.024 41.945 42.059 -0.151 0.000 0.896 250 L HN 0.318 nan 8.230 nan 0.000 0.433 251 V N 0.873 120.575 119.914 -0.353 0.000 2.378 251 V HA 0.433 4.554 4.120 0.002 0.000 0.288 251 V C -0.205 175.315 176.094 -0.956 0.000 1.016 251 V CA -0.631 61.288 62.300 -0.636 0.000 0.840 251 V CB 1.482 32.847 31.823 -0.764 0.000 0.994 251 V HN 0.218 nan 8.190 nan 0.000 0.431 252 R N 2.949 123.055 120.500 -0.657 0.000 2.774 252 R HA 0.572 4.913 4.340 0.002 0.000 0.272 252 R C -1.835 174.298 176.300 -0.278 0.000 1.000 252 R CA -0.928 54.887 56.100 -0.475 0.000 0.906 252 R CB 2.388 32.598 30.300 -0.150 0.000 1.227 252 R HN 0.504 nan 8.270 nan 0.000 0.468 253 Y N 0.446 120.751 120.300 0.008 0.000 2.323 253 Y HA 0.412 4.963 4.550 0.001 0.000 0.331 253 Y C 0.806 176.702 175.900 -0.006 0.000 1.092 253 Y CA -1.031 57.103 58.100 0.057 0.000 1.150 253 Y CB 1.255 39.845 38.460 0.216 0.000 1.200 253 Y HN 0.699 nan 8.280 nan 0.000 0.472 254 A N 1.868 124.739 122.820 0.085 0.000 2.425 254 A HA 0.575 4.896 4.320 0.002 0.000 0.242 254 A C 0.599 177.967 177.584 -0.360 0.000 1.077 254 A CA 0.267 52.186 52.037 -0.198 0.000 0.781 254 A CB -0.156 18.644 19.000 -0.333 0.000 1.020 254 A HN 0.922 nan 8.150 nan 0.000 0.494 255 G N 0.250 108.821 108.800 -0.382 0.000 2.557 255 G HA2 0.556 4.517 3.960 0.002 0.000 0.310 255 G HA3 0.556 4.517 3.960 0.002 0.000 0.310 255 G C -1.352 173.370 174.900 -0.296 0.000 1.328 255 G CA -0.229 44.691 45.100 -0.301 0.000 0.945 255 G HN 0.490 nan 8.290 nan 0.000 0.494 256 Y N 1.257 121.573 120.300 0.026 0.000 2.328 256 Y HA 0.461 5.012 4.550 0.002 0.000 0.333 256 Y C 0.771 176.677 175.900 0.009 0.000 0.958 256 Y CA -1.173 56.945 58.100 0.029 0.000 1.167 256 Y CB 1.730 40.204 38.460 0.023 0.000 1.151 256 Y HN 0.489 nan 8.280 nan 0.000 0.470 257 R N 3.292 123.887 120.500 0.159 0.000 2.370 257 R HA 0.149 4.490 4.340 0.002 0.000 0.309 257 R C -0.178 176.169 176.300 0.078 0.000 1.059 257 R CA -0.190 55.964 56.100 0.090 0.000 0.981 257 R CB 0.370 30.710 30.300 0.067 0.000 0.972 257 R HN 0.605 nan 8.270 nan 0.000 0.437 258 Q N 2.254 122.087 119.800 0.056 0.000 2.256 258 Q HA 0.022 4.363 4.340 0.002 0.000 0.232 258 Q C 0.791 176.804 176.000 0.021 0.000 0.965 258 Q CA -0.265 55.557 55.803 0.033 0.000 0.908 258 Q CB 0.876 29.629 28.738 0.025 0.000 1.209 258 Q HN 0.655 nan 8.270 nan 0.000 0.489 259 Q N 0.783 120.589 119.800 0.010 0.000 2.096 259 Q HA -0.166 4.175 4.340 0.002 0.000 0.204 259 Q C 0.693 176.697 176.000 0.008 0.000 0.982 259 Q CA 1.608 57.415 55.803 0.007 0.000 0.850 259 Q CB 0.085 28.823 28.738 -0.001 0.000 0.901 259 Q HN 0.663 nan 8.270 nan 0.000 0.422 260 D N -0.642 119.762 120.400 0.008 0.000 2.370 260 D HA -0.024 4.616 4.640 0.002 0.000 0.256 260 D C 0.868 177.175 176.300 0.012 0.000 1.197 260 D CA 0.828 54.833 54.000 0.008 0.000 0.922 260 D CB -0.412 40.392 40.800 0.006 0.000 0.911 260 D HN 0.382 nan 8.370 nan 0.000 0.517 261 G N 0.990 109.799 108.800 0.015 0.000 2.187 261 G HA2 -0.320 3.640 3.960 0.002 0.000 0.261 261 G HA3 -0.320 3.640 3.960 0.002 0.000 0.261 261 G C 0.305 175.217 174.900 0.020 0.000 1.000 261 G CA 0.748 45.859 45.100 0.018 0.000 0.718 261 G HN 0.694 nan 8.290 nan 0.000 0.519 262 S N -1.309 114.402 115.700 0.019 0.000 2.608 262 S HA 0.742 5.213 4.470 0.002 0.000 0.291 262 S C 0.045 174.658 174.600 0.021 0.000 1.146 262 S CA -0.136 58.074 58.200 0.017 0.000 1.043 262 S CB 2.263 65.472 63.200 0.014 0.000 1.037 262 S HN 0.926 nan 8.310 nan 0.000 0.520 263 V N 3.843 123.763 119.914 0.009 0.000 2.398 263 V HA 0.537 4.658 4.120 0.002 0.000 0.286 263 V C 0.260 176.347 176.094 -0.013 0.000 1.026 263 V CA -0.888 61.414 62.300 0.002 0.000 0.868 263 V CB 1.001 32.809 31.823 -0.024 0.000 0.982 263 V HN 0.977 nan 8.190 nan 0.000 0.443 264 R N 3.811 124.329 120.500 0.029 0.000 2.457 264 R HA 0.734 5.075 4.340 0.002 0.000 0.284 264 R C 0.682 176.968 176.300 -0.023 0.000 1.024 264 R CA 1.021 57.141 56.100 0.033 0.000 1.025 264 R CB 1.023 31.393 30.300 0.117 0.000 1.063 264 R HN 1.229 nan 8.270 nan 0.000 0.493 265 G N 2.325 111.059 108.800 -0.110 0.000 2.525 265 G HA2 -0.285 3.676 3.960 0.002 0.000 0.248 265 G HA3 -0.285 3.676 3.960 0.002 0.000 0.248 265 G C -1.164 173.439 174.900 -0.495 0.000 1.238 265 G CA 0.224 45.195 45.100 -0.216 0.000 0.926 265 G HN 0.787 nan 8.290 nan 0.000 0.574 266 D N 1.369 121.554 120.400 -0.359 0.000 2.412 266 D HA 0.572 5.213 4.640 0.002 0.000 0.224 266 D C -1.126 175.051 176.300 -0.204 0.000 1.093 266 D CA -2.129 51.613 54.000 -0.429 0.000 0.850 266 D CB 1.336 42.200 40.800 0.108 0.000 1.046 266 D HN -0.004 nan 8.370 nan 0.000 0.507 267 P HA -0.057 nan 4.420 nan 0.000 0.223 267 P C 0.780 178.084 177.300 0.006 0.000 1.144 267 P CA 0.758 63.811 63.100 -0.079 0.000 0.783 267 P CB 0.295 31.960 31.700 -0.058 0.000 0.771 268 A N -0.776 122.065 122.820 0.036 0.000 2.119 268 A HA -0.051 4.270 4.320 0.002 0.000 0.216 268 A C 1.459 179.102 177.584 0.098 0.000 1.152 268 A CA 1.106 53.203 52.037 0.099 0.000 0.708 268 A CB -0.600 18.483 19.000 0.137 0.000 0.805 268 A HN 0.125 nan 8.150 nan 0.000 0.460 269 N N -0.573 118.163 118.700 0.060 0.000 2.338 269 N HA 0.168 4.909 4.740 0.002 0.000 0.251 269 N C 0.901 176.415 175.510 0.007 0.000 1.199 269 N CA 0.043 53.122 53.050 0.048 0.000 0.879 269 N CB 0.865 39.377 38.487 0.043 0.000 1.159 269 N HN 0.139 nan 8.380 nan 0.000 0.514 270 V N 0.790 120.714 119.914 0.017 0.000 2.295 270 V HA -0.196 3.925 4.120 0.002 0.000 0.246 270 V C 2.384 178.498 176.094 0.033 0.000 1.049 270 V CA 1.811 64.120 62.300 0.015 0.000 1.024 270 V CB -0.105 31.736 31.823 0.031 0.000 0.648 270 V HN 0.393 nan 8.190 nan 0.000 0.447 271 E N -0.391 119.845 120.200 0.060 0.000 2.072 271 E HA -0.213 4.138 4.350 0.002 0.000 0.190 271 E C 2.158 178.742 176.600 -0.027 0.000 0.982 271 E CA 1.380 57.810 56.400 0.051 0.000 0.803 271 E CB -0.105 29.685 29.700 0.150 0.000 0.755 271 E HN 0.498 nan 8.360 nan 0.000 0.453 272 I N 0.944 121.518 120.570 0.007 0.000 2.315 272 I HA -0.204 3.967 4.170 0.002 0.000 0.248 272 I C 1.992 178.086 176.117 -0.038 0.000 1.117 272 I CA 1.597 62.873 61.300 -0.040 0.000 1.404 272 I CB -0.401 37.628 38.000 0.049 0.000 1.071 272 I HN 0.062 nan 8.210 nan 0.000 0.419 273 T N 0.222 114.769 114.554 -0.012 0.000 2.788 273 T HA -0.188 4.163 4.350 0.002 0.000 0.268 273 T C 1.738 176.504 174.700 0.109 0.000 1.044 273 T CA 1.816 63.938 62.100 0.037 0.000 1.139 273 T CB -0.344 68.520 68.868 -0.006 0.000 0.867 273 T HN 0.482 nan 8.240 nan 0.000 0.454 274 E N 0.421 120.658 120.200 0.061 0.000 2.208 274 E HA 0.040 4.391 4.350 0.002 0.000 0.193 274 E C 2.068 178.688 176.600 0.033 0.000 0.988 274 E CA 0.468 56.905 56.400 0.061 0.000 0.828 274 E CB -0.167 29.554 29.700 0.034 0.000 0.763 274 E HN 0.427 nan 8.360 nan 0.000 0.478 275 L N -0.082 121.132 121.223 -0.016 0.000 2.072 275 L HA -0.169 4.172 4.340 0.002 0.000 0.205 275 L C 2.489 179.428 176.870 0.115 0.000 1.079 275 L CA 0.557 55.403 54.840 0.010 0.000 0.752 275 L CB -0.267 41.723 42.059 -0.115 0.000 0.906 275 L HN 0.295 nan 8.230 nan 0.000 0.436 276 C N 0.217 119.552 119.300 0.058 0.000 2.413 276 C HA -0.198 4.263 4.460 0.002 0.000 0.277 276 C C 2.715 177.841 174.990 0.227 0.000 1.228 276 C CA 0.817 59.879 59.018 0.074 0.000 1.731 276 C CB -0.651 27.067 27.740 -0.036 0.000 2.042 276 C HN 0.418 nan 8.230 nan 0.000 0.468 277 I N 0.373 121.106 120.570 0.272 0.000 2.286 277 I HA -0.270 3.901 4.170 0.002 0.000 0.248 277 I C 2.730 178.911 176.117 0.106 0.000 1.115 277 I CA 1.633 63.071 61.300 0.231 0.000 1.392 277 I CB -0.630 37.484 38.000 0.189 0.000 1.065 277 I HN 0.517 nan 8.210 nan 0.000 0.418 278 Q N 0.538 120.377 119.800 0.066 0.000 2.172 278 Q HA -0.205 4.136 4.340 0.002 0.000 0.200 278 Q C 1.215 177.126 176.000 -0.149 0.000 0.964 278 Q CA 1.437 57.211 55.803 -0.047 0.000 0.855 278 Q CB 0.025 28.720 28.738 -0.073 0.000 0.918 278 Q HN 0.577 nan 8.270 nan 0.000 0.444 279 H N -0.975 118.067 119.070 -0.047 0.000 2.592 279 H HA 0.261 4.818 4.556 0.002 0.000 0.291 279 H C 0.373 175.669 175.328 -0.053 0.000 1.052 279 H CA 0.653 56.649 56.048 -0.087 0.000 1.175 279 H CB 0.348 30.008 29.762 -0.170 0.000 1.378 279 H HN 0.489 nan 8.280 nan 0.000 0.576 280 G N 0.182 109.017 108.800 0.057 0.000 2.204 280 G HA2 -0.266 3.695 3.960 0.002 0.000 0.244 280 G HA3 -0.266 3.695 3.960 0.002 0.000 0.244 280 G C -0.308 174.658 174.900 0.110 0.000 1.062 280 G CA -0.021 45.105 45.100 0.043 0.000 0.798 280 G HN 0.446 nan 8.290 nan 0.000 0.496 281 W N 1.205 122.483 121.300 -0.037 0.000 2.376 281 W HA 0.691 5.352 4.660 0.001 0.000 0.322 281 W C 0.278 176.789 176.519 -0.014 0.000 1.160 281 W CA -0.491 56.835 57.345 -0.031 0.000 1.218 281 W CB 1.221 30.671 29.460 -0.018 0.000 1.205 281 W HN 0.106 nan 8.180 nan 0.000 0.559 282 T N 8.594 122.798 114.554 -0.584 0.000 2.729 282 T HA 0.263 4.614 4.350 0.002 0.000 0.296 282 T C -2.297 171.557 174.700 -1.409 0.000 0.928 282 T CA -0.901 60.780 62.100 -0.697 0.000 1.045 282 T CB 0.579 69.213 68.868 -0.391 0.000 0.902 282 T HN 0.160 nan 8.240 nan 0.000 0.500 283 P HA 0.383 nan 4.420 nan 0.000 0.282 283 P C 0.457 177.387 177.300 -0.617 0.000 1.249 283 P CA -0.425 61.972 63.100 -1.171 0.000 0.806 283 P CB 0.764 32.169 31.700 -0.493 0.000 0.984 284 G N 1.640 110.250 108.800 -0.316 0.000 2.553 284 G HA2 0.253 4.214 3.960 0.002 0.000 0.278 284 G HA3 0.253 4.214 3.960 0.002 0.000 0.278 284 G C 0.028 174.728 174.900 -0.333 0.000 1.349 284 G CA -0.491 44.523 45.100 -0.144 0.000 1.037 284 G HN 0.701 nan 8.290 nan 0.000 0.508 285 N N -0.646 117.928 118.700 -0.210 0.000 2.628 285 N HA 0.243 4.984 4.740 0.002 0.000 0.299 285 N C 0.127 175.627 175.510 -0.015 0.000 1.834 285 N CA -0.101 52.778 53.050 -0.285 0.000 0.871 285 N CB 0.582 38.875 38.487 -0.323 0.000 1.377 285 N HN 0.657 nan 8.380 nan 0.000 0.493 286 G N 0.065 108.943 108.800 0.131 0.000 2.552 286 G HA2 0.378 4.339 3.960 0.002 0.000 0.318 286 G HA3 0.378 4.339 3.960 0.002 0.000 0.318 286 G C 0.406 175.383 174.900 0.129 0.000 1.240 286 G CA -0.796 44.380 45.100 0.126 0.000 1.002 286 G HN 0.195 nan 8.290 nan 0.000 0.493 287 R N -1.201 119.288 120.500 -0.018 0.000 2.297 287 R HA 0.160 4.501 4.340 0.002 0.000 0.197 287 R C -0.278 175.589 176.300 -0.721 0.000 0.943 287 R CA 0.558 56.466 56.100 -0.321 0.000 1.038 287 R CB 0.094 30.123 30.300 -0.451 0.000 0.957 287 R HN 0.370 nan 8.270 nan 0.000 0.484 288 F N 0.166 120.070 119.950 -0.076 0.000 2.605 288 F HA 0.208 4.736 4.527 0.002 0.000 0.391 288 F C -0.752 174.869 175.800 -0.298 0.000 1.429 288 F CA -1.187 56.480 58.000 -0.555 0.000 1.138 288 F CB 0.610 39.124 39.000 -0.810 0.000 1.198 288 F HN -0.248 nan 8.300 nan 0.000 0.516 289 D N 1.962 122.461 120.400 0.166 0.000 2.336 289 D HA 0.168 4.809 4.640 0.002 0.000 0.249 289 D C 0.324 176.832 176.300 0.348 0.000 1.213 289 D CA 0.231 54.412 54.000 0.302 0.000 0.870 289 D CB 2.008 43.072 40.800 0.439 0.000 1.076 289 D HN -0.085 nan 8.370 nan 0.000 0.483 290 V N 4.058 124.171 119.914 0.331 0.000 2.493 290 V HA -0.070 4.051 4.120 0.002 0.000 0.292 290 V C 1.179 177.294 176.094 0.035 0.000 1.016 290 V CA -0.097 62.324 62.300 0.201 0.000 1.097 290 V CB -0.084 31.814 31.823 0.125 0.000 0.947 290 V HN 0.356 nan 8.190 nan 0.000 0.479 291 L N 8.229 129.383 121.223 -0.114 0.000 2.473 291 L HA 0.257 4.598 4.340 0.002 0.000 0.268 291 L C -1.653 174.952 176.870 -0.441 0.000 1.215 291 L CA -1.214 53.393 54.840 -0.388 0.000 0.823 291 L CB 0.493 42.371 42.059 -0.301 0.000 1.099 291 L HN 0.488 nan 8.230 nan 0.000 0.483 292 P HA 0.166 nan 4.420 nan 0.000 0.277 292 P C -0.984 176.139 177.300 -0.296 0.000 1.271 292 P CA -0.459 62.346 63.100 -0.490 0.000 0.795 292 P CB 0.587 31.865 31.700 -0.703 0.000 1.101 293 L N 0.855 121.982 121.223 -0.159 0.000 2.292 293 L HA 0.339 4.679 4.340 0.002 0.000 0.284 293 L C 0.236 177.052 176.870 -0.090 0.000 1.065 293 L CA -0.577 54.219 54.840 -0.073 0.000 0.806 293 L CB 0.348 42.429 42.059 0.036 0.000 1.175 293 L HN 0.234 nan 8.230 nan 0.000 0.431 294 L N 5.343 126.499 121.223 -0.111 0.000 2.277 294 L HA 0.446 4.786 4.340 0.002 0.000 0.284 294 L C -0.506 176.243 176.870 -0.201 0.000 1.028 294 L CA -0.059 54.632 54.840 -0.249 0.000 0.835 294 L CB 1.099 42.915 42.059 -0.404 0.000 1.215 294 L HN 0.420 nan 8.230 nan 0.000 0.425 295 L N 4.036 125.184 121.223 -0.125 0.000 2.322 295 L HA 0.506 4.847 4.340 0.002 0.000 0.281 295 L C -0.266 176.529 176.870 -0.125 0.000 1.014 295 L CA -0.403 54.400 54.840 -0.062 0.000 0.815 295 L CB 1.823 43.884 42.059 0.005 0.000 1.247 295 L HN 0.566 nan 8.230 nan 0.000 0.421 296 Q N 3.050 122.800 119.800 -0.084 0.000 2.339 296 Q HA 0.613 4.954 4.340 0.002 0.000 0.268 296 Q C -0.973 174.968 176.000 -0.099 0.000 1.027 296 Q CA -0.561 55.192 55.803 -0.083 0.000 0.759 296 Q CB 1.998 30.770 28.738 0.058 0.000 1.244 296 Q HN 0.787 nan 8.270 nan 0.000 0.464 297 A N 5.044 127.762 122.820 -0.171 0.000 2.304 297 A HA 0.576 4.897 4.320 0.002 0.000 0.271 297 A C -2.357 174.971 177.584 -0.426 0.000 1.091 297 A CA -1.471 50.316 52.037 -0.416 0.000 0.812 297 A CB 0.029 18.895 19.000 -0.223 0.000 1.056 297 A HN 0.620 nan 8.150 nan 0.000 0.489 298 P HA 0.059 nan 4.420 nan 0.000 0.260 298 P C -0.664 176.532 177.300 -0.174 0.000 1.185 298 P CA 0.948 63.834 63.100 -0.357 0.000 0.763 298 P CB 0.114 31.606 31.700 -0.348 0.000 0.776 299 D N 0.104 120.447 120.400 -0.094 0.000 3.041 299 D HA -0.152 4.489 4.640 0.002 0.000 0.220 299 D C -0.047 176.233 176.300 -0.033 0.000 1.157 299 D CA 1.192 55.169 54.000 -0.039 0.000 0.876 299 D CB -0.692 40.088 40.800 -0.034 0.000 1.107 299 D HN 0.417 nan 8.370 nan 0.000 0.422 300 E N -0.217 119.952 120.200 -0.052 0.000 2.207 300 E HA 0.647 4.998 4.350 0.002 0.000 0.270 300 E C 0.219 176.796 176.600 -0.038 0.000 0.927 300 E CA -0.676 55.696 56.400 -0.047 0.000 0.799 300 E CB 1.482 31.141 29.700 -0.068 0.000 1.172 300 E HN 0.199 nan 8.360 nan 0.000 0.404 301 A N 4.386 127.187 122.820 -0.032 0.000 2.584 301 A HA 0.167 4.488 4.320 0.002 0.000 0.239 301 A C -1.886 175.592 177.584 -0.178 0.000 1.043 301 A CA -0.603 51.403 52.037 -0.051 0.000 0.756 301 A CB -0.722 18.270 19.000 -0.013 0.000 0.963 301 A HN 0.281 nan 8.150 nan 0.000 0.511 302 P HA 0.181 nan 4.420 nan 0.000 0.269 302 P C -0.409 176.593 177.300 -0.496 0.000 1.215 302 P CA 0.172 62.904 63.100 -0.614 0.000 0.780 302 P CB 0.682 31.532 31.700 -1.417 0.000 0.898 303 E N 0.287 120.275 120.200 -0.354 0.000 2.244 303 E HA 0.490 4.841 4.350 0.002 0.000 0.266 303 E C -0.927 175.378 176.600 -0.493 0.000 0.914 303 E CA -1.055 55.116 56.400 -0.382 0.000 0.794 303 E CB 1.471 30.992 29.700 -0.299 0.000 1.210 303 E HN 0.233 nan 8.360 nan 0.000 0.414 304 L N 2.460 123.263 121.223 -0.701 0.000 2.295 304 L HA 0.487 4.828 4.340 0.002 0.000 0.285 304 L C -1.662 174.629 176.870 -0.965 0.000 1.035 304 L CA -0.001 54.478 54.840 -0.602 0.000 0.806 304 L CB 0.294 42.130 42.059 -0.371 0.000 1.214 304 L HN 0.408 nan 8.230 nan 0.000 0.426 305 F N 4.148 123.851 119.950 -0.413 0.000 2.573 305 F HA 0.460 4.988 4.527 0.002 0.000 0.316 305 F C -0.309 175.220 175.800 -0.451 0.000 1.148 305 F CA -0.910 56.701 58.000 -0.649 0.000 0.940 305 F CB 1.803 40.057 39.000 -1.244 0.000 1.214 305 F HN 0.041 nan 8.300 nan 0.000 0.448 306 V N 4.458 124.283 119.914 -0.148 0.000 2.498 306 V HA 0.244 4.365 4.120 0.002 0.000 0.279 306 V C 0.276 176.468 176.094 0.163 0.000 1.048 306 V CA -0.690 61.612 62.300 0.004 0.000 0.967 306 V CB 1.290 33.167 31.823 0.089 0.000 0.988 306 V HN 0.547 nan 8.190 nan 0.000 0.473 307 L N 6.747 128.069 121.223 0.166 0.000 2.360 307 L HA 0.307 4.648 4.340 0.002 0.000 0.276 307 L C -2.101 174.872 176.870 0.172 0.000 1.121 307 L CA -1.574 53.400 54.840 0.224 0.000 0.845 307 L CB 0.925 43.058 42.059 0.124 0.000 1.143 307 L HN 0.451 nan 8.230 nan 0.000 0.452 308 P HA 0.049 nan 4.420 nan 0.000 0.262 308 P C -2.051 175.302 177.300 0.088 0.000 1.199 308 P CA -0.894 62.277 63.100 0.119 0.000 0.763 308 P CB 0.274 32.026 31.700 0.087 0.000 0.790 309 P HA -0.194 nan 4.420 nan 0.000 0.219 309 P C 1.316 178.652 177.300 0.060 0.000 1.146 309 P CA 1.211 64.358 63.100 0.078 0.000 0.808 309 P CB -0.145 31.604 31.700 0.081 0.000 0.779 310 E N 0.168 120.397 120.200 0.049 0.000 2.338 310 E HA -0.123 4.228 4.350 0.002 0.000 0.197 310 E C 1.724 178.342 176.600 0.030 0.000 1.007 310 E CA 0.915 57.336 56.400 0.035 0.000 0.849 310 E CB -1.080 28.637 29.700 0.027 0.000 0.774 310 E HN 0.306 nan 8.360 nan 0.000 0.506 311 L N 0.914 122.156 121.223 0.032 0.000 2.270 311 L HA 0.045 4.386 4.340 0.002 0.000 0.210 311 L C 0.881 177.772 176.870 0.036 0.000 1.104 311 L CA 0.204 55.059 54.840 0.025 0.000 0.804 311 L CB 0.309 42.376 42.059 0.014 0.000 0.937 311 L HN -0.095 nan 8.230 nan 0.000 0.450 312 V N 2.259 122.199 119.914 0.043 0.000 2.338 312 V HA 0.072 4.193 4.120 0.002 0.000 0.255 312 V C 0.128 176.259 176.094 0.063 0.000 1.082 312 V CA -0.468 61.861 62.300 0.049 0.000 0.951 312 V CB 0.793 32.641 31.823 0.042 0.000 1.102 312 V HN 0.046 nan 8.190 nan 0.000 0.489 313 L N 6.009 127.273 121.223 0.068 0.000 2.418 313 L HA 0.347 4.688 4.340 0.002 0.000 0.274 313 L C 0.332 177.246 176.870 0.074 0.000 1.135 313 L CA 0.735 55.607 54.840 0.054 0.000 0.870 313 L CB 0.202 42.287 42.059 0.043 0.000 1.154 313 L HN 0.644 nan 8.230 nan 0.000 0.462 314 E N 2.909 123.132 120.200 0.037 0.000 2.299 314 E HA 0.634 4.985 4.350 0.002 0.000 0.260 314 E C -1.403 175.147 176.600 -0.084 0.000 0.944 314 E CA -1.001 55.420 56.400 0.035 0.000 0.815 314 E CB 2.378 32.123 29.700 0.075 0.000 1.252 314 E HN 0.334 nan 8.360 nan 0.000 0.418 315 V N 2.842 122.683 119.914 -0.122 0.000 2.419 315 V HA 0.255 4.376 4.120 0.002 0.000 0.287 315 V C -2.460 173.569 176.094 -0.108 0.000 1.017 315 V CA -1.921 60.240 62.300 -0.232 0.000 0.844 315 V CB 1.332 32.769 31.823 -0.643 0.000 1.011 315 V HN 0.528 nan 8.190 nan 0.000 0.429 316 P HA 0.157 nan 4.420 nan 0.000 0.264 316 P C -0.528 176.785 177.300 0.022 0.000 1.193 316 P CA 0.214 63.293 63.100 -0.036 0.000 0.763 316 P CB 0.473 32.161 31.700 -0.021 0.000 0.810 317 L N 3.992 125.268 121.223 0.088 0.000 2.265 317 L HA 0.396 4.736 4.340 0.002 0.000 0.288 317 L C 1.084 178.124 176.870 0.284 0.000 1.058 317 L CA -0.192 54.770 54.840 0.204 0.000 0.809 317 L CB 0.506 42.755 42.059 0.318 0.000 1.179 317 L HN 0.488 nan 8.230 nan 0.000 0.429 318 E N 2.256 122.584 120.200 0.214 0.000 2.410 318 E HA 0.457 4.808 4.350 0.002 0.000 0.269 318 E C -1.249 175.369 176.600 0.030 0.000 0.937 318 E CA -0.934 55.588 56.400 0.205 0.000 0.793 318 E CB 2.355 32.153 29.700 0.164 0.000 1.314 318 E HN 0.453 nan 8.360 nan 0.000 0.447 319 H N 1.018 119.951 119.070 -0.229 0.000 2.495 319 H HA 0.230 4.787 4.556 0.002 0.000 0.348 319 H C -1.876 173.129 175.328 -0.539 0.000 1.113 319 H CA -2.300 53.448 56.048 -0.499 0.000 1.195 319 H CB 2.015 31.371 29.762 -0.677 0.000 1.521 319 H HN 0.390 nan 8.280 nan 0.000 0.509 320 P HA -0.186 nan 4.420 nan 0.000 0.218 320 P C 0.992 178.093 177.300 -0.332 0.000 1.154 320 P CA 2.424 65.002 63.100 -0.870 0.000 0.872 320 P CB 0.261 31.495 31.700 -0.776 0.000 0.790 321 T N -5.188 109.324 114.554 -0.071 0.000 2.964 321 T HA 0.223 4.574 4.350 0.002 0.000 0.250 321 T C 0.755 175.433 174.700 -0.037 0.000 0.982 321 T CA -0.228 61.870 62.100 -0.003 0.000 0.959 321 T CB -0.515 68.367 68.868 0.023 0.000 1.141 321 T HN -0.063 nan 8.240 nan 0.000 0.494 322 L N 3.498 124.674 121.223 -0.079 0.000 2.282 322 L HA 0.445 4.786 4.340 0.002 0.000 0.287 322 L C 1.321 177.906 176.870 -0.475 0.000 1.075 322 L CA -0.771 53.729 54.840 -0.567 0.000 0.839 322 L CB 0.963 42.249 42.059 -1.288 0.000 1.219 322 L HN 0.171 nan 8.230 nan 0.000 0.434 323 E N 3.054 123.097 120.200 -0.262 0.000 2.204 323 E HA -0.225 4.126 4.350 0.002 0.000 0.195 323 E C 1.655 178.247 176.600 -0.014 0.000 0.990 323 E CA 1.142 57.492 56.400 -0.084 0.000 0.821 323 E CB -0.266 29.443 29.700 0.014 0.000 0.750 323 E HN 0.755 nan 8.360 nan 0.000 0.477 324 W N -0.209 121.146 121.300 0.092 0.000 2.467 324 W HA 0.062 4.723 4.660 0.002 0.000 0.275 324 W C 1.409 177.994 176.519 0.110 0.000 1.239 324 W CA 0.016 57.407 57.345 0.077 0.000 1.266 324 W CB -1.109 28.375 29.460 0.039 0.000 1.112 324 W HN -0.020 nan 8.180 nan 0.000 0.576 325 F N 3.041 122.861 119.950 -0.216 0.000 2.091 325 F HA -0.221 4.307 4.527 0.001 0.000 0.299 325 F C 2.776 178.626 175.800 0.084 0.000 1.103 325 F CA 3.277 61.231 58.000 -0.077 0.000 1.228 325 F CB -0.732 38.075 39.000 -0.322 0.000 0.984 325 F HN -0.071 nan 8.300 nan 0.000 0.477 326 A N -0.117 122.873 122.820 0.282 0.000 2.032 326 A HA -0.131 4.190 4.320 0.002 0.000 0.221 326 A C 2.192 179.847 177.584 0.119 0.000 1.165 326 A CA 1.667 53.822 52.037 0.196 0.000 0.645 326 A CB -1.436 17.652 19.000 0.148 0.000 0.807 326 A HN 0.476 nan 8.150 nan 0.000 0.453 327 A N -1.106 121.792 122.820 0.131 0.000 2.235 327 A HA 0.319 4.640 4.320 0.002 0.000 0.208 327 A C 1.744 179.373 177.584 0.074 0.000 1.172 327 A CA 0.588 52.688 52.037 0.106 0.000 0.786 327 A CB -0.446 18.632 19.000 0.129 0.000 0.804 327 A HN 0.424 nan 8.150 nan 0.000 0.479 328 L N -1.085 120.157 121.223 0.032 0.000 2.376 328 L HA 0.062 4.403 4.340 0.002 0.000 0.219 328 L C 1.913 178.803 176.870 0.035 0.000 1.133 328 L CA 1.045 55.873 54.840 -0.021 0.000 0.816 328 L CB -0.207 41.728 42.059 -0.205 0.000 0.933 328 L HN 0.549 nan 8.230 nan 0.000 0.449 329 G N -0.414 108.415 108.800 0.048 0.000 2.168 329 G HA2 -0.284 3.677 3.960 0.002 0.000 0.257 329 G HA3 -0.284 3.677 3.960 0.002 0.000 0.257 329 G C 0.148 175.083 174.900 0.059 0.000 0.997 329 G CA -0.079 45.064 45.100 0.073 0.000 0.708 329 G HN 0.106 nan 8.290 nan 0.000 0.520 330 L N 0.333 121.569 121.223 0.021 0.000 2.452 330 L HA 0.683 5.024 4.340 0.002 0.000 0.267 330 L C 1.099 177.809 176.870 -0.267 0.000 1.188 330 L CA 0.302 55.104 54.840 -0.063 0.000 0.821 330 L CB 0.701 42.785 42.059 0.041 0.000 1.102 330 L HN 0.669 nan 8.230 nan 0.000 0.470 331 R N 1.904 122.026 120.500 -0.631 0.000 2.690 331 R HA 0.458 4.799 4.340 0.002 0.000 0.269 331 R C -1.858 174.379 176.300 -0.105 0.000 1.037 331 R CA -0.923 54.933 56.100 -0.406 0.000 0.877 331 R CB 1.180 31.169 30.300 -0.519 0.000 1.255 331 R HN 0.587 nan 8.270 nan 0.000 0.467 332 W N 2.135 123.383 121.300 -0.086 0.000 3.032 332 W HA 0.442 5.103 4.660 0.002 0.000 0.341 332 W C -1.101 175.502 176.519 0.141 0.000 1.202 332 W CA -1.091 56.291 57.345 0.061 0.000 1.132 332 W CB 2.212 31.621 29.460 -0.085 0.000 1.465 332 W HN 0.676 nan 8.180 nan 0.000 0.576 333 Y N 0.426 120.630 120.300 -0.159 0.000 2.335 333 Y HA 0.603 5.154 4.550 0.002 0.000 0.323 333 Y C 0.776 176.883 175.900 0.344 0.000 1.224 333 Y CA -0.321 57.776 58.100 -0.004 0.000 1.241 333 Y CB 0.363 38.686 38.460 -0.227 0.000 1.235 333 Y HN 0.376 nan 8.280 nan 0.000 0.492 334 A N 2.066 125.144 122.820 0.431 0.000 1.930 334 A HA -0.014 4.307 4.320 0.002 0.000 0.217 334 A C 0.581 178.518 177.584 0.588 0.000 1.175 334 A CA 0.793 53.122 52.037 0.488 0.000 0.627 334 A CB -0.401 18.743 19.000 0.239 0.000 0.815 334 A HN 0.685 nan 8.150 nan 0.000 0.443 335 L N 1.662 123.183 121.223 0.496 0.000 2.262 335 L HA 0.439 4.780 4.340 0.002 0.000 0.288 335 L C -2.622 174.399 176.870 0.251 0.000 1.035 335 L CA -2.305 52.718 54.840 0.305 0.000 0.820 335 L CB 1.634 43.815 42.059 0.204 0.000 1.204 335 L HN -0.032 nan 8.230 nan 0.000 0.424 336 P HA 0.359 nan 4.420 nan 0.000 0.291 336 P C -1.430 175.786 177.300 -0.141 0.000 1.340 336 P CA -0.316 62.644 63.100 -0.235 0.000 0.799 336 P CB 1.330 32.498 31.700 -0.887 0.000 0.917 337 A N 4.384 127.131 122.820 -0.121 0.000 2.545 337 A HA 0.435 4.756 4.320 0.002 0.000 0.300 337 A C -0.316 177.047 177.584 -0.369 0.000 1.252 337 A CA -0.629 51.270 52.037 -0.229 0.000 0.753 337 A CB 0.722 19.637 19.000 -0.141 0.000 1.144 337 A HN 0.286 nan 8.150 nan 0.000 0.457 338 V N 2.488 121.988 119.914 -0.691 0.000 2.614 338 V HA 0.345 4.466 4.120 0.002 0.000 0.291 338 V C 1.202 176.928 176.094 -0.613 0.000 1.049 338 V CA 1.101 62.988 62.300 -0.689 0.000 1.038 338 V CB 1.381 32.649 31.823 -0.926 0.000 0.980 338 V HN 1.130 nan 8.190 nan 0.000 0.481 339 S N 1.218 116.741 115.700 -0.296 0.000 2.817 339 S HA 0.060 4.531 4.470 0.002 0.000 0.262 339 S C 0.644 175.210 174.600 -0.056 0.000 1.051 339 S CA 0.062 58.167 58.200 -0.159 0.000 1.185 339 S CB -0.402 62.733 63.200 -0.110 0.000 1.152 339 S HN 0.914 nan 8.310 nan 0.000 0.653 340 N N 0.607 119.264 118.700 -0.073 0.000 2.275 340 N HA 0.355 5.096 4.740 0.002 0.000 0.236 340 N C -0.272 175.179 175.510 -0.099 0.000 1.154 340 N CA -0.517 52.488 53.050 -0.074 0.000 0.866 340 N CB 0.252 38.683 38.487 -0.094 0.000 1.093 340 N HN 0.240 nan 8.380 nan 0.000 0.515 341 M N 1.649 121.254 119.600 0.008 0.000 2.383 341 M HA 0.333 4.814 4.480 0.002 0.000 0.325 341 M C -0.994 175.418 176.300 0.187 0.000 1.092 341 M CA -0.878 54.478 55.300 0.094 0.000 0.961 341 M CB 3.072 35.814 32.600 0.237 0.000 1.672 341 M HN 0.175 nan 8.290 nan 0.000 0.438 342 L N 4.438 125.749 121.223 0.147 0.000 2.305 342 L HA 0.456 4.797 4.340 0.002 0.000 0.281 342 L C -1.192 175.801 176.870 0.204 0.000 1.085 342 L CA -0.765 54.166 54.840 0.152 0.000 0.813 342 L CB 0.807 42.903 42.059 0.062 0.000 1.157 342 L HN 0.645 nan 8.230 nan 0.000 0.436 343 L N 5.629 126.978 121.223 0.208 0.000 2.262 343 L HA 0.420 4.761 4.340 0.002 0.000 0.288 343 L C -0.375 176.544 176.870 0.082 0.000 1.035 343 L CA 0.222 55.099 54.840 0.062 0.000 0.820 343 L CB 1.047 43.114 42.059 0.014 0.000 1.204 343 L HN 0.646 nan 8.230 nan 0.000 0.424 344 E N 6.279 126.451 120.200 -0.048 0.000 2.156 344 E HA 0.403 4.754 4.350 0.002 0.000 0.279 344 E C -1.511 175.036 176.600 -0.089 0.000 0.965 344 E CA -0.440 55.944 56.400 -0.026 0.000 0.789 344 E CB 1.129 30.807 29.700 -0.036 0.000 1.098 344 E HN 0.752 nan 8.360 nan 0.000 0.397 345 I N 2.658 123.183 120.570 -0.076 0.000 2.500 345 I HA 0.258 4.429 4.170 0.002 0.000 0.286 345 I C 0.741 176.649 176.117 -0.348 0.000 1.063 345 I CA -0.465 60.663 61.300 -0.288 0.000 1.062 345 I CB 2.038 39.796 38.000 -0.404 0.000 1.223 345 I HN 0.789 nan 8.210 nan 0.000 0.435 346 G N 4.070 112.687 108.800 -0.304 0.000 2.258 346 G HA2 -0.112 3.849 3.960 0.002 0.000 0.274 346 G HA3 -0.112 3.849 3.960 0.002 0.000 0.274 346 G C 1.037 175.985 174.900 0.080 0.000 1.021 346 G CA 0.680 45.744 45.100 -0.060 0.000 0.798 346 G HN 1.603 nan 8.290 nan 0.000 0.507 347 G N -1.860 106.950 108.800 0.017 0.000 2.268 347 G HA2 -0.239 3.722 3.960 0.002 0.000 0.240 347 G HA3 -0.239 3.722 3.960 0.002 0.000 0.240 347 G C 0.593 175.461 174.900 -0.054 0.000 1.010 347 G CA 0.505 45.618 45.100 0.022 0.000 0.618 347 G HN 1.333 nan 8.290 nan 0.000 0.516 348 L N 0.762 121.907 121.223 -0.131 0.000 2.436 348 L HA 0.575 4.915 4.340 0.002 0.000 0.265 348 L C 0.442 177.122 176.870 -0.316 0.000 1.168 348 L CA -0.145 54.505 54.840 -0.317 0.000 0.815 348 L CB 0.752 42.514 42.059 -0.496 0.000 1.109 348 L HN 0.205 nan 8.230 nan 0.000 0.462 349 E N 1.852 121.772 120.200 -0.467 0.000 2.191 349 E HA 0.386 4.737 4.350 0.002 0.000 0.263 349 E C -1.537 174.764 176.600 -0.499 0.000 0.881 349 E CA -0.388 55.823 56.400 -0.315 0.000 0.757 349 E CB 1.582 31.184 29.700 -0.163 0.000 1.147 349 E HN 0.237 nan 8.360 nan 0.000 0.414 350 F N 1.892 121.816 119.950 -0.043 0.000 2.308 350 F HA 0.131 4.659 4.527 0.001 0.000 0.370 350 F C 1.379 177.211 175.800 0.053 0.000 1.100 350 F CA -0.549 57.450 58.000 -0.002 0.000 1.108 350 F CB 1.298 40.281 39.000 -0.029 0.000 1.293 350 F HN 0.418 nan 8.300 nan 0.000 0.478 351 S N 1.235 117.034 115.700 0.165 0.000 2.489 351 S HA 0.358 4.828 4.470 0.002 0.000 0.228 351 S C 0.734 175.443 174.600 0.183 0.000 0.995 351 S CA 0.242 58.525 58.200 0.139 0.000 0.934 351 S CB 0.138 63.397 63.200 0.098 0.000 0.771 351 S HN 0.518 nan 8.310 nan 0.000 0.522 352 A N 0.567 123.545 122.820 0.263 0.000 2.411 352 A HA 0.831 5.152 4.320 0.002 0.000 0.285 352 A C -0.262 177.556 177.584 0.389 0.000 1.129 352 A CA -0.221 51.998 52.037 0.304 0.000 0.736 352 A CB 1.078 20.253 19.000 0.292 0.000 1.186 352 A HN 0.894 nan 8.150 nan 0.000 0.445 353 A N 4.219 127.220 122.820 0.301 0.000 3.474 353 A HA 0.632 4.953 4.320 0.002 0.000 0.251 353 A C -2.889 174.827 177.584 0.221 0.000 1.062 353 A CA -0.956 51.218 52.037 0.229 0.000 0.945 353 A CB 0.257 19.395 19.000 0.229 0.000 1.296 353 A HN 0.532 nan 8.150 nan 0.000 0.592 354 P HA 0.396 nan 4.420 nan 0.000 0.268 354 P C -0.665 176.651 177.300 0.027 0.000 1.208 354 P CA 0.472 63.536 63.100 -0.060 0.000 0.777 354 P CB 0.308 31.902 31.700 -0.176 0.000 0.875 355 F N -1.302 118.599 119.950 -0.082 0.000 2.613 355 F HA 0.757 5.285 4.527 0.001 0.000 0.314 355 F C -0.946 174.809 175.800 -0.077 0.000 1.075 355 F CA -1.210 56.760 58.000 -0.051 0.000 0.945 355 F CB 1.530 40.401 39.000 -0.215 0.000 1.310 355 F HN 0.423 nan 8.300 nan 0.000 0.467 356 S N 0.161 115.990 115.700 0.216 0.000 2.541 356 S HA 0.887 5.358 4.470 0.002 0.000 0.271 356 S C -0.735 173.867 174.600 0.004 0.000 1.133 356 S CA -0.169 58.081 58.200 0.084 0.000 0.876 356 S CB 1.375 64.676 63.200 0.169 0.000 1.105 356 S HN 1.454 nan 8.310 nan 0.000 0.470 357 G N 0.499 109.246 108.800 -0.089 0.000 3.387 357 G HA2 0.754 4.715 3.960 0.002 0.000 0.194 357 G HA3 0.754 4.715 3.960 0.002 0.000 0.194 357 G C -1.121 173.821 174.900 0.070 0.000 1.417 357 G CA -0.357 44.643 45.100 -0.166 0.000 0.777 357 G HN 1.084 nan 8.290 nan 0.000 0.721 358 W N -1.723 119.588 121.300 0.018 0.000 3.029 358 W HA 0.799 5.460 4.660 0.001 0.000 0.339 358 W C -1.622 174.890 176.519 -0.012 0.000 1.198 358 W CA -2.167 55.196 57.345 0.030 0.000 1.148 358 W CB 0.412 29.935 29.460 0.104 0.000 1.451 358 W HN 0.367 nan 8.180 nan 0.000 0.564 359 Y N 2.555 123.055 120.300 0.334 0.000 2.379 359 Y HA 0.235 4.786 4.550 0.002 0.000 0.337 359 Y C 0.909 176.890 175.900 0.135 0.000 1.238 359 Y CA -0.431 57.744 58.100 0.126 0.000 1.405 359 Y CB 0.982 39.413 38.460 -0.049 0.000 1.310 359 Y HN 0.411 nan 8.280 nan 0.000 0.569 360 M N 2.319 122.081 119.600 0.271 0.000 2.180 360 M HA 0.180 4.661 4.480 0.002 0.000 0.350 360 M C 1.056 177.374 176.300 0.031 0.000 1.125 360 M CA -0.318 55.072 55.300 0.149 0.000 1.031 360 M CB 1.158 33.818 32.600 0.100 0.000 1.623 360 M HN 0.878 nan 8.290 nan 0.000 0.451 361 S N 1.588 117.262 115.700 -0.043 0.000 2.392 361 S HA -0.200 4.271 4.470 0.002 0.000 0.232 361 S C 1.539 176.025 174.600 -0.190 0.000 1.041 361 S CA 2.234 60.331 58.200 -0.172 0.000 1.026 361 S CB -1.314 61.815 63.200 -0.118 0.000 0.845 361 S HN 0.926 nan 8.310 nan 0.000 0.465 362 T N -0.623 113.855 114.554 -0.127 0.000 2.962 362 T HA -0.013 4.338 4.350 0.002 0.000 0.270 362 T C 1.659 176.225 174.700 -0.223 0.000 1.088 362 T CA 1.212 63.190 62.100 -0.203 0.000 1.127 362 T CB -0.526 68.183 68.868 -0.265 0.000 0.883 362 T HN 0.555 nan 8.240 nan 0.000 0.493 363 E N 0.564 120.651 120.200 -0.190 0.000 2.106 363 E HA -0.050 4.301 4.350 0.002 0.000 0.192 363 E C 1.999 178.376 176.600 -0.371 0.000 0.984 363 E CA 1.016 57.305 56.400 -0.185 0.000 0.806 363 E CB -0.152 29.545 29.700 -0.006 0.000 0.750 363 E HN 0.646 nan 8.360 nan 0.000 0.458 364 I N -0.280 119.941 120.570 -0.582 0.000 2.235 364 I HA -0.086 4.085 4.170 0.002 0.000 0.241 364 I C 2.551 178.328 176.117 -0.565 0.000 1.085 364 I CA 1.034 61.803 61.300 -0.883 0.000 1.378 364 I CB -0.419 36.925 38.000 -1.093 0.000 1.076 364 I HN 0.109 nan 8.210 nan 0.000 0.415 365 G N 0.109 108.681 108.800 -0.381 0.000 2.394 365 G HA2 -0.153 3.808 3.960 0.002 0.000 0.214 365 G HA3 -0.153 3.808 3.960 0.002 0.000 0.214 365 G C 1.634 176.425 174.900 -0.182 0.000 1.176 365 G CA 1.346 46.308 45.100 -0.230 0.000 0.786 365 G HN 0.274 nan 8.290 nan 0.000 0.533 366 T N 0.504 114.936 114.554 -0.203 0.000 2.815 366 T HA 0.060 4.411 4.350 0.002 0.000 0.244 366 T C 2.551 177.151 174.700 -0.167 0.000 1.040 366 T CA 0.526 62.524 62.100 -0.170 0.000 1.176 366 T CB -0.030 68.722 68.868 -0.194 0.000 0.880 366 T HN 0.001 nan 8.240 nan 0.000 0.414 367 R N 1.966 122.350 120.500 -0.193 0.000 2.070 367 R HA 0.083 4.424 4.340 0.002 0.000 0.227 367 R C 2.248 178.446 176.300 -0.171 0.000 1.147 367 R CA 1.181 57.177 56.100 -0.174 0.000 0.924 367 R CB -1.421 28.779 30.300 -0.166 0.000 0.827 367 R HN 0.325 nan 8.270 nan 0.000 0.431 368 N N 0.874 119.434 118.700 -0.233 0.000 2.137 368 N HA -0.140 4.601 4.740 0.002 0.000 0.190 368 N C 1.895 177.334 175.510 -0.118 0.000 1.017 368 N CA 1.228 54.136 53.050 -0.236 0.000 0.859 368 N CB -0.180 37.879 38.487 -0.712 0.000 1.002 368 N HN 0.222 nan 8.380 nan 0.000 0.428 369 L N -1.236 119.878 121.223 -0.181 0.000 2.425 369 L HA 0.123 4.464 4.340 0.002 0.000 0.215 369 L C 1.292 178.185 176.870 0.039 0.000 1.065 369 L CA 0.266 55.079 54.840 -0.044 0.000 0.842 369 L CB 0.396 42.395 42.059 -0.100 0.000 1.033 369 L HN 0.119 nan 8.230 nan 0.000 0.474 370 C N -1.490 117.797 119.300 -0.020 0.000 3.070 370 C HA 0.193 4.654 4.460 0.002 0.000 0.280 370 C C 0.631 175.607 174.990 -0.024 0.000 1.264 370 C CA -0.954 58.064 59.018 0.000 0.000 1.690 370 C CB -0.482 27.249 27.740 -0.015 0.000 2.049 370 C HN 0.268 nan 8.230 nan 0.000 0.636 371 D N 2.667 123.021 120.400 -0.076 0.000 2.488 371 D HA 0.090 4.731 4.640 0.002 0.000 0.238 371 D C -1.495 174.749 176.300 -0.093 0.000 1.138 371 D CA -1.052 52.868 54.000 -0.133 0.000 0.873 371 D CB 0.819 41.416 40.800 -0.338 0.000 1.183 371 D HN 0.156 nan 8.370 nan 0.000 0.458 372 P HA -0.083 nan 4.420 nan 0.000 0.225 372 P C 0.559 177.920 177.300 0.100 0.000 1.156 372 P CA 0.945 64.094 63.100 0.083 0.000 0.787 372 P CB 0.056 31.832 31.700 0.126 0.000 0.802 373 H N -2.315 116.768 119.070 0.021 0.000 2.519 373 H HA 0.358 4.915 4.556 0.002 0.000 0.289 373 H C 0.758 176.095 175.328 0.016 0.000 1.040 373 H CA -0.162 55.896 56.048 0.016 0.000 1.165 373 H CB 0.091 29.862 29.762 0.015 0.000 1.462 373 H HN -0.010 nan 8.280 nan 0.000 0.555 374 R N -0.231 120.153 120.500 -0.192 0.000 2.845 374 R HA 0.171 4.512 4.340 0.002 0.000 0.112 374 R C 1.004 177.267 176.300 -0.062 0.000 1.012 374 R CA -0.692 55.337 56.100 -0.118 0.000 0.744 374 R CB -0.719 29.532 30.300 -0.081 0.000 0.926 374 R HN 0.088 nan 8.270 nan 0.000 0.376 375 Y N 1.537 121.852 120.300 0.025 0.000 2.439 375 Y HA -0.009 4.541 4.550 0.001 0.000 0.292 375 Y C 0.742 176.668 175.900 0.043 0.000 1.130 375 Y CA 1.232 59.367 58.100 0.058 0.000 1.254 375 Y CB -0.185 38.350 38.460 0.125 0.000 1.000 375 Y HN 0.563 nan 8.280 nan 0.000 0.554 376 N N 0.761 119.551 118.700 0.151 0.000 2.714 376 N HA -0.224 4.517 4.740 0.002 0.000 0.253 376 N C 0.446 176.033 175.510 0.128 0.000 1.024 376 N CA 0.362 53.475 53.050 0.105 0.000 0.726 376 N CB -1.038 37.494 38.487 0.074 0.000 0.908 376 N HN 0.601 nan 8.380 nan 0.000 0.542 377 I N -3.489 117.168 120.570 0.145 0.000 3.883 377 I HA 0.053 4.224 4.170 0.002 0.000 0.326 377 I C 1.819 178.025 176.117 0.148 0.000 1.283 377 I CA -0.397 60.986 61.300 0.139 0.000 1.161 377 I CB 0.015 38.099 38.000 0.140 0.000 1.012 377 I HN 0.086 nan 8.210 nan 0.000 0.421 378 L N 1.629 122.951 121.223 0.165 0.000 2.021 378 L HA -0.250 4.091 4.340 0.002 0.000 0.215 378 L C 2.564 179.635 176.870 0.335 0.000 1.074 378 L CA 2.007 56.982 54.840 0.225 0.000 0.760 378 L CB -0.972 41.200 42.059 0.188 0.000 0.889 378 L HN 0.501 nan 8.230 nan 0.000 0.433 379 E N -1.167 119.210 120.200 0.295 0.000 2.051 379 E HA -0.177 4.174 4.350 0.002 0.000 0.189 379 E C 1.769 178.397 176.600 0.046 0.000 0.979 379 E CA 0.931 57.447 56.400 0.195 0.000 0.803 379 E CB 0.062 29.825 29.700 0.106 0.000 0.761 379 E HN 0.526 nan 8.360 nan 0.000 0.451 380 D N 0.370 120.799 120.400 0.049 0.000 2.126 380 D HA -0.181 4.460 4.640 0.002 0.000 0.190 380 D C 2.030 178.326 176.300 -0.006 0.000 1.001 380 D CA 1.380 55.379 54.000 -0.001 0.000 0.841 380 D CB -0.132 40.678 40.800 0.016 0.000 0.949 380 D HN 0.128 nan 8.370 nan 0.000 0.446 381 V N 1.296 121.262 119.914 0.088 0.000 2.626 381 V HA -0.154 3.967 4.120 0.002 0.000 0.252 381 V C 2.445 178.643 176.094 0.174 0.000 1.067 381 V CA 1.512 63.914 62.300 0.170 0.000 1.081 381 V CB -0.492 31.497 31.823 0.277 0.000 0.686 381 V HN 0.182 nan 8.190 nan 0.000 0.468 382 A N -0.489 122.426 122.820 0.160 0.000 1.970 382 A HA -0.055 4.266 4.320 0.002 0.000 0.216 382 A C 2.331 179.899 177.584 -0.026 0.000 1.170 382 A CA 1.406 53.538 52.037 0.158 0.000 0.645 382 A CB -0.344 18.855 19.000 0.331 0.000 0.816 382 A HN 0.316 nan 8.150 nan 0.000 0.447 383 V N -1.015 118.826 119.914 -0.121 0.000 2.379 383 V HA -0.262 3.859 4.120 0.002 0.000 0.245 383 V C 2.580 178.522 176.094 -0.252 0.000 1.044 383 V CA 1.855 64.039 62.300 -0.194 0.000 1.036 383 V CB -0.895 30.811 31.823 -0.195 0.000 0.664 383 V HN 0.692 nan 8.190 nan 0.000 0.453 384 C N -0.214 118.876 119.300 -0.350 0.000 2.403 384 C HA -0.211 4.250 4.460 0.002 0.000 0.277 384 C C 2.652 177.257 174.990 -0.642 0.000 1.248 384 C CA 1.269 59.832 59.018 -0.759 0.000 1.762 384 C CB -0.990 25.983 27.740 -1.277 0.000 2.014 384 C HN 0.527 nan 8.230 nan 0.000 0.486 385 M N -0.174 119.312 119.600 -0.190 0.000 2.618 385 M HA 0.015 4.496 4.480 0.002 0.000 0.240 385 M C 0.626 176.930 176.300 0.006 0.000 1.123 385 M CA 0.850 56.197 55.300 0.078 0.000 1.060 385 M CB -0.321 32.410 32.600 0.219 0.000 1.535 385 M HN 0.242 nan 8.290 nan 0.000 0.507 386 D N 1.135 121.480 120.400 -0.092 0.000 2.870 386 D HA -0.151 4.490 4.640 0.002 0.000 0.228 386 D C -0.741 175.532 176.300 -0.044 0.000 1.147 386 D CA 0.579 54.530 54.000 -0.082 0.000 0.757 386 D CB -1.053 39.708 40.800 -0.065 0.000 1.091 386 D HN 0.296 nan 8.370 nan 0.000 0.429 387 L N -0.530 120.670 121.223 -0.037 0.000 2.472 387 L HA 0.455 4.796 4.340 0.002 0.000 0.256 387 L C 0.894 177.704 176.870 -0.100 0.000 1.111 387 L CA -0.773 54.062 54.840 -0.009 0.000 0.800 387 L CB 0.409 42.523 42.059 0.091 0.000 1.286 387 L HN -0.121 nan 8.230 nan 0.000 0.479 388 D N -0.802 119.556 120.400 -0.070 0.000 2.441 388 D HA 0.143 4.784 4.640 0.002 0.000 0.221 388 D C 0.629 176.732 176.300 -0.327 0.000 1.156 388 D CA -0.116 53.810 54.000 -0.124 0.000 0.896 388 D CB 0.922 41.717 40.800 -0.009 0.000 1.028 388 D HN 0.436 nan 8.370 nan 0.000 0.509 389 T N 2.591 116.797 114.554 -0.580 0.000 3.035 389 T HA -0.063 4.288 4.350 0.002 0.000 0.268 389 T C 1.811 176.291 174.700 -0.366 0.000 1.109 389 T CA 0.647 62.137 62.100 -1.016 0.000 1.119 389 T CB 0.085 68.440 68.868 -0.855 0.000 0.900 389 T HN 0.351 nan 8.240 nan 0.000 0.503 390 R N 0.571 120.969 120.500 -0.170 0.000 2.148 390 R HA 0.082 4.423 4.340 0.002 0.000 0.227 390 R C 1.107 177.436 176.300 0.049 0.000 1.103 390 R CA 0.746 56.817 56.100 -0.049 0.000 0.983 390 R CB 0.058 30.331 30.300 -0.044 0.000 0.874 390 R HN 0.167 nan 8.270 nan 0.000 0.451 391 T N -1.659 112.962 114.554 0.111 0.000 2.903 391 T HA 0.160 4.511 4.350 0.002 0.000 0.299 391 T C 0.736 175.605 174.700 0.283 0.000 1.093 391 T CA -0.661 61.531 62.100 0.155 0.000 1.002 391 T CB 1.910 70.835 68.868 0.095 0.000 1.127 391 T HN 0.170 nan 8.240 nan 0.000 0.488 392 T N -0.693 113.984 114.554 0.205 0.000 3.060 392 T HA 0.102 4.453 4.350 0.002 0.000 0.249 392 T C 1.607 176.349 174.700 0.070 0.000 1.079 392 T CA 0.718 62.907 62.100 0.148 0.000 1.013 392 T CB -0.187 68.715 68.868 0.057 0.000 0.975 392 T HN 0.482 nan 8.240 nan 0.000 0.518 393 S N 1.680 117.433 115.700 0.088 0.000 2.593 393 S HA 0.046 4.517 4.470 0.002 0.000 0.217 393 S C 1.972 176.613 174.600 0.070 0.000 0.966 393 S CA 0.317 58.550 58.200 0.055 0.000 0.914 393 S CB -0.366 62.862 63.200 0.046 0.000 0.776 393 S HN 0.662 nan 8.310 nan 0.000 0.523 394 S N 1.787 117.561 115.700 0.123 0.000 2.558 394 S HA 0.243 4.714 4.470 0.002 0.000 0.217 394 S C 0.894 175.572 174.600 0.129 0.000 0.975 394 S CA -0.088 58.193 58.200 0.135 0.000 0.912 394 S CB -0.895 62.412 63.200 0.178 0.000 0.776 394 S HN 0.535 nan 8.310 nan 0.000 0.526 395 L N 0.737 122.003 121.223 0.072 0.000 3.865 395 L HA -0.168 4.173 4.340 0.002 0.000 0.408 395 L C 1.593 178.454 176.870 -0.016 0.000 1.209 395 L CA 0.670 55.488 54.840 -0.037 0.000 0.940 395 L CB -2.632 39.418 42.059 -0.016 0.000 1.971 395 L HN 0.741 nan 8.230 nan 0.000 0.899 396 W N 0.252 121.564 121.300 0.020 0.000 2.374 396 W HA -0.155 4.506 4.660 0.001 0.000 0.288 396 W C 1.720 178.256 176.519 0.029 0.000 1.218 396 W CA 1.325 58.685 57.345 0.025 0.000 1.245 396 W CB -0.676 28.796 29.460 0.021 0.000 1.126 396 W HN 0.276 nan 8.180 nan 0.000 0.545 397 K N 1.161 120.970 120.400 -0.986 0.000 2.032 397 K HA -0.195 4.126 4.320 0.002 0.000 0.209 397 K C 1.537 177.980 176.600 -0.262 0.000 1.048 397 K CA 2.571 58.414 56.287 -0.739 0.000 0.927 397 K CB -0.404 31.569 32.500 -0.878 0.000 0.712 397 K HN 0.062 nan 8.250 nan 0.000 0.441 398 D N 0.502 120.776 120.400 -0.211 0.000 2.144 398 D HA -0.113 4.528 4.640 0.002 0.000 0.200 398 D C 1.605 177.892 176.300 -0.022 0.000 0.978 398 D CA 1.103 55.044 54.000 -0.098 0.000 0.833 398 D CB 0.011 40.762 40.800 -0.081 0.000 0.961 398 D HN 0.114 nan 8.370 nan 0.000 0.470 399 K N 0.355 120.767 120.400 0.021 0.000 2.025 399 K HA 0.006 4.327 4.320 0.002 0.000 0.207 399 K C 2.169 178.833 176.600 0.107 0.000 1.049 399 K CA 1.174 57.507 56.287 0.077 0.000 0.933 399 K CB -0.119 32.449 32.500 0.113 0.000 0.714 399 K HN 0.108 nan 8.250 nan 0.000 0.438 400 A N 1.236 124.142 122.820 0.144 0.000 1.929 400 A HA -0.016 4.305 4.320 0.002 0.000 0.216 400 A C 2.317 179.981 177.584 0.133 0.000 1.176 400 A CA 1.491 53.640 52.037 0.186 0.000 0.628 400 A CB -0.549 18.612 19.000 0.268 0.000 0.816 400 A HN 0.318 nan 8.150 nan 0.000 0.444 401 A N -0.319 122.540 122.820 0.065 0.000 1.917 401 A HA -0.083 4.237 4.320 0.002 0.000 0.219 401 A C 2.202 179.801 177.584 0.025 0.000 1.182 401 A CA 1.986 54.036 52.037 0.022 0.000 0.633 401 A CB -0.945 18.031 19.000 -0.040 0.000 0.819 401 A HN 0.408 nan 8.150 nan 0.000 0.448 402 V N 0.103 120.038 119.914 0.035 0.000 2.427 402 V HA -0.179 3.942 4.120 0.002 0.000 0.248 402 V C 2.516 178.646 176.094 0.060 0.000 1.051 402 V CA 2.012 64.338 62.300 0.043 0.000 1.048 402 V CB -0.676 31.178 31.823 0.051 0.000 0.666 402 V HN 0.497 nan 8.190 nan 0.000 0.456 403 E N 0.098 120.352 120.200 0.091 0.000 2.106 403 E HA -0.117 4.234 4.350 0.002 0.000 0.192 403 E C 2.107 178.737 176.600 0.050 0.000 0.984 403 E CA 1.179 57.645 56.400 0.111 0.000 0.806 403 E CB -0.266 29.479 29.700 0.075 0.000 0.750 403 E HN 0.598 nan 8.360 nan 0.000 0.458 404 I N 1.063 121.691 120.570 0.097 0.000 2.252 404 I HA -0.263 3.907 4.170 0.002 0.000 0.245 404 I C 1.778 177.892 176.117 -0.004 0.000 1.102 404 I CA 1.018 62.386 61.300 0.113 0.000 1.385 404 I CB -0.335 37.784 38.000 0.199 0.000 1.064 404 I HN 0.037 nan 8.210 nan 0.000 0.414 405 N N 0.583 119.274 118.700 -0.015 0.000 2.166 405 N HA -0.180 4.561 4.740 0.002 0.000 0.186 405 N C 1.706 177.188 175.510 -0.048 0.000 1.019 405 N CA 0.901 53.925 53.050 -0.043 0.000 0.856 405 N CB -0.144 38.330 38.487 -0.022 0.000 0.993 405 N HN 0.137 nan 8.380 nan 0.000 0.426 406 L N 0.985 122.177 121.223 -0.051 0.000 2.017 406 L HA -0.016 4.325 4.340 0.002 0.000 0.208 406 L C 2.083 178.841 176.870 -0.187 0.000 1.073 406 L CA 1.499 56.273 54.840 -0.110 0.000 0.745 406 L CB -1.072 40.908 42.059 -0.132 0.000 0.894 406 L HN 0.163 nan 8.230 nan 0.000 0.432 407 A N -1.265 121.397 122.820 -0.264 0.000 1.948 407 A HA -0.199 4.122 4.320 0.002 0.000 0.220 407 A C 2.287 179.814 177.584 -0.094 0.000 1.177 407 A CA 2.223 54.051 52.037 -0.348 0.000 0.636 407 A CB -1.120 17.388 19.000 -0.820 0.000 0.815 407 A HN 0.326 nan 8.150 nan 0.000 0.449 408 V N -0.184 119.698 119.914 -0.052 0.000 2.270 408 V HA -0.243 3.878 4.120 0.002 0.000 0.245 408 V C 2.540 178.670 176.094 0.060 0.000 1.043 408 V CA 1.885 64.200 62.300 0.025 0.000 1.014 408 V CB -0.823 30.935 31.823 -0.107 0.000 0.645 408 V HN 0.570 nan 8.190 nan 0.000 0.447 409 L N -0.568 120.647 121.223 -0.013 0.000 1.944 409 L HA -0.285 4.056 4.340 0.002 0.000 0.218 409 L C 2.599 179.505 176.870 0.060 0.000 1.075 409 L CA 2.465 57.311 54.840 0.009 0.000 0.767 409 L CB -0.992 41.061 42.059 -0.010 0.000 0.890 409 L HN 0.460 nan 8.230 nan 0.000 0.434 410 H N -0.068 118.962 119.070 -0.066 0.000 2.278 410 H HA -0.272 4.285 4.556 0.002 0.000 0.287 410 H C 2.301 177.617 175.328 -0.020 0.000 1.107 410 H CA 2.497 58.497 56.048 -0.081 0.000 1.192 410 H CB -0.292 29.358 29.762 -0.186 0.000 1.346 410 H HN 0.289 nan 8.280 nan 0.000 0.478 411 S N -0.520 115.161 115.700 -0.033 0.000 2.359 411 S HA -0.156 4.315 4.470 0.002 0.000 0.224 411 S C 2.045 176.626 174.600 -0.031 0.000 1.035 411 S CA 1.365 59.536 58.200 -0.047 0.000 1.018 411 S CB -0.566 62.692 63.200 0.098 0.000 0.876 411 S HN 0.351 nan 8.310 nan 0.000 0.448 412 F N 1.872 121.770 119.950 -0.086 0.000 2.186 412 F HA -0.059 4.469 4.527 0.002 0.000 0.299 412 F C 2.650 178.399 175.800 -0.084 0.000 1.090 412 F CA 1.027 58.995 58.000 -0.052 0.000 1.307 412 F CB -0.542 38.451 39.000 -0.011 0.000 1.019 412 F HN 0.206 nan 8.300 nan 0.000 0.489 413 Q N -0.730 119.102 119.800 0.053 0.000 2.297 413 Q HA -0.134 4.207 4.340 0.002 0.000 0.204 413 Q C 2.030 177.963 176.000 -0.112 0.000 0.962 413 Q CA 0.811 56.594 55.803 -0.033 0.000 0.879 413 Q CB -0.173 28.539 28.738 -0.043 0.000 0.947 413 Q HN 0.375 nan 8.270 nan 0.000 0.462 414 L N -0.596 120.510 121.223 -0.194 0.000 2.307 414 L HA 0.131 4.472 4.340 0.002 0.000 0.211 414 L C 1.649 178.431 176.870 -0.148 0.000 1.099 414 L CA 0.926 55.633 54.840 -0.222 0.000 0.816 414 L CB 0.031 41.871 42.059 -0.366 0.000 0.952 414 L HN 0.037 nan 8.230 nan 0.000 0.455 415 A N -1.560 121.173 122.820 -0.145 0.000 2.345 415 A HA 0.162 4.483 4.320 0.002 0.000 0.225 415 A C 0.610 178.129 177.584 -0.108 0.000 1.243 415 A CA -0.168 51.786 52.037 -0.138 0.000 0.875 415 A CB -0.172 18.706 19.000 -0.203 0.000 0.929 415 A HN 0.240 nan 8.150 nan 0.000 0.502 416 K N -0.972 119.378 120.400 -0.083 0.000 3.125 416 K HA -0.119 4.202 4.320 0.002 0.000 0.268 416 K C -0.602 175.973 176.600 -0.042 0.000 1.078 416 K CA 0.782 57.034 56.287 -0.058 0.000 0.775 416 K CB -2.700 29.766 32.500 -0.057 0.000 1.253 416 K HN 0.321 nan 8.250 nan 0.000 0.486 417 V N 1.132 121.038 119.914 -0.012 0.000 2.409 417 V HA 0.215 4.336 4.120 0.002 0.000 0.291 417 V C 0.738 176.923 176.094 0.152 0.000 1.020 417 V CA -0.802 61.532 62.300 0.057 0.000 0.848 417 V CB 1.984 33.813 31.823 0.009 0.000 0.990 417 V HN 0.299 nan 8.190 nan 0.000 0.430 418 T N 6.380 120.960 114.554 0.044 0.000 2.891 418 T HA 0.295 4.646 4.350 0.002 0.000 0.296 418 T C -0.238 174.515 174.700 0.088 0.000 1.025 418 T CA 1.062 63.099 62.100 -0.105 0.000 1.149 418 T CB 0.003 68.656 68.868 -0.359 0.000 1.007 418 T HN 0.598 nan 8.240 nan 0.000 0.528 419 I N 2.351 122.921 120.570 -0.001 0.000 2.908 419 I HA 0.628 4.799 4.170 0.002 0.000 0.300 419 I C -1.615 174.541 176.117 0.066 0.000 1.385 419 I CA -0.926 60.422 61.300 0.080 0.000 1.004 419 I CB 1.901 39.860 38.000 -0.069 0.000 1.309 419 I HN 0.459 nan 8.210 nan 0.000 0.449 420 V N 5.162 125.181 119.914 0.175 0.000 2.709 420 V HA 0.509 4.630 4.120 0.002 0.000 0.308 420 V C -1.170 174.982 176.094 0.097 0.000 1.062 420 V CA -0.269 62.126 62.300 0.158 0.000 0.901 420 V CB 2.231 34.242 31.823 0.314 0.000 1.003 420 V HN 0.893 nan 8.190 nan 0.000 0.425 421 D N 3.771 124.198 120.400 0.045 0.000 2.383 421 D HA 0.195 4.836 4.640 0.002 0.000 0.248 421 D C 1.292 177.574 176.300 -0.030 0.000 1.170 421 D CA 0.093 54.091 54.000 -0.003 0.000 0.977 421 D CB 0.423 41.181 40.800 -0.070 0.000 1.120 421 D HN 0.731 nan 8.370 nan 0.000 0.481 422 H N -0.381 118.620 119.070 -0.114 0.000 2.489 422 H HA -0.142 4.415 4.556 0.002 0.000 0.293 422 H C 0.909 176.136 175.328 -0.169 0.000 1.066 422 H CA 1.298 57.241 56.048 -0.174 0.000 1.305 422 H CB -0.515 29.088 29.762 -0.266 0.000 1.386 422 H HN 0.515 nan 8.280 nan 0.000 0.551 423 H N 1.141 120.026 119.070 -0.309 0.000 2.317 423 H HA 0.171 4.728 4.556 0.001 0.000 0.304 423 H C 2.565 177.875 175.328 -0.031 0.000 1.067 423 H CA 1.185 57.146 56.048 -0.144 0.000 1.352 423 H CB -0.325 29.322 29.762 -0.191 0.000 1.398 423 H HN 0.486 nan 8.280 nan 0.000 0.510 424 A N 1.507 124.382 122.820 0.093 0.000 1.940 424 A HA -0.131 4.190 4.320 0.002 0.000 0.219 424 A C 2.669 180.324 177.584 0.119 0.000 1.176 424 A CA 1.912 54.006 52.037 0.095 0.000 0.631 424 A CB -0.783 18.265 19.000 0.079 0.000 0.814 424 A HN 0.445 nan 8.150 nan 0.000 0.446 425 A N -0.351 122.538 122.820 0.115 0.000 1.872 425 A HA -0.060 4.261 4.320 0.002 0.000 0.214 425 A C 2.451 180.132 177.584 0.161 0.000 1.187 425 A CA 2.439 54.562 52.037 0.142 0.000 0.614 425 A CB -1.441 17.631 19.000 0.120 0.000 0.826 425 A HN 0.780 nan 8.150 nan 0.000 0.442 426 T N -2.262 112.371 114.554 0.132 0.000 2.833 426 T HA -0.100 4.251 4.350 0.002 0.000 0.269 426 T C 1.654 176.478 174.700 0.206 0.000 1.054 426 T CA 1.509 63.710 62.100 0.169 0.000 1.135 426 T CB -0.709 68.226 68.868 0.112 0.000 0.869 426 T HN 0.058 nan 8.240 nan 0.000 0.466 427 V N 2.607 122.620 119.914 0.166 0.000 2.427 427 V HA -0.135 3.986 4.120 0.002 0.000 0.248 427 V C 3.184 179.366 176.094 0.146 0.000 1.051 427 V CA 1.914 64.301 62.300 0.145 0.000 1.048 427 V CB -0.855 31.036 31.823 0.114 0.000 0.666 427 V HN 0.793 nan 8.190 nan 0.000 0.456 428 S N -0.309 115.488 115.700 0.163 0.000 2.406 428 S HA -0.161 4.310 4.470 0.002 0.000 0.228 428 S C 1.960 176.678 174.600 0.198 0.000 1.020 428 S CA 1.099 59.394 58.200 0.159 0.000 0.965 428 S CB -0.680 62.616 63.200 0.160 0.000 0.798 428 S HN 0.466 nan 8.310 nan 0.000 0.488 429 F N 2.537 122.547 119.950 0.099 0.000 2.171 429 F HA 0.047 4.575 4.527 0.002 0.000 0.300 429 F C 2.291 178.173 175.800 0.137 0.000 1.090 429 F CA 1.265 59.336 58.000 0.120 0.000 1.293 429 F CB -0.357 38.693 39.000 0.083 0.000 1.013 429 F HN 0.102 nan 8.300 nan 0.000 0.486 430 M N -0.042 119.628 119.600 0.115 0.000 2.149 430 M HA -0.197 4.284 4.480 0.002 0.000 0.261 430 M C 2.159 178.434 176.300 -0.042 0.000 1.064 430 M CA 1.561 56.875 55.300 0.024 0.000 1.102 430 M CB -1.192 31.467 32.600 0.097 0.000 1.369 430 M HN 0.087 nan 8.290 nan 0.000 0.408 431 K N -0.356 120.049 120.400 0.008 0.000 2.167 431 K HA -0.154 4.167 4.320 0.002 0.000 0.203 431 K C 1.897 178.485 176.600 -0.020 0.000 1.052 431 K CA 1.456 57.746 56.287 0.006 0.000 0.956 431 K CB -0.529 31.998 32.500 0.045 0.000 0.735 431 K HN 0.355 nan 8.250 nan 0.000 0.451 432 H N 0.193 119.177 119.070 -0.144 0.000 2.357 432 H HA 0.040 4.597 4.556 0.002 0.000 0.301 432 H C 1.619 176.789 175.328 -0.263 0.000 1.082 432 H CA 2.008 57.949 56.048 -0.179 0.000 1.342 432 H CB -0.142 29.489 29.762 -0.219 0.000 1.389 432 H HN 0.156 nan 8.280 nan 0.000 0.511 433 L N -0.214 120.720 121.223 -0.482 0.000 2.079 433 L HA -0.179 4.162 4.340 0.002 0.000 0.210 433 L C 2.209 178.918 176.870 -0.268 0.000 1.081 433 L CA 1.841 56.420 54.840 -0.436 0.000 0.752 433 L CB -0.427 41.434 42.059 -0.331 0.000 0.896 433 L HN 0.393 nan 8.230 nan 0.000 0.433 434 D N -0.205 120.085 120.400 -0.183 0.000 2.084 434 D HA -0.172 4.469 4.640 0.002 0.000 0.196 434 D C 1.944 178.175 176.300 -0.115 0.000 0.985 434 D CA 1.126 55.058 54.000 -0.113 0.000 0.826 434 D CB 0.123 40.885 40.800 -0.064 0.000 0.978 434 D HN 0.160 nan 8.370 nan 0.000 0.456 435 N N 0.707 119.336 118.700 -0.118 0.000 2.069 435 N HA -0.146 4.595 4.740 0.002 0.000 0.191 435 N C 1.611 177.046 175.510 -0.125 0.000 1.031 435 N CA 0.854 53.855 53.050 -0.082 0.000 0.852 435 N CB -0.349 38.128 38.487 -0.016 0.000 1.018 435 N HN 0.331 nan 8.380 nan 0.000 0.423 436 E N 0.743 120.784 120.200 -0.266 0.000 2.153 436 E HA -0.185 4.166 4.350 0.002 0.000 0.194 436 E C 1.907 178.411 176.600 -0.160 0.000 0.988 436 E CA 0.741 56.979 56.400 -0.270 0.000 0.811 436 E CB -0.130 29.297 29.700 -0.454 0.000 0.746 436 E HN 0.364 nan 8.360 nan 0.000 0.466 437 Q N 1.317 121.032 119.800 -0.143 0.000 2.079 437 Q HA -0.097 4.244 4.340 0.002 0.000 0.200 437 Q C 1.798 177.758 176.000 -0.068 0.000 0.974 437 Q CA 1.625 57.373 55.803 -0.091 0.000 0.840 437 Q CB 0.049 28.737 28.738 -0.083 0.000 0.898 437 Q HN 0.140 nan 8.270 nan 0.000 0.430 438 K N -0.728 119.634 120.400 -0.063 0.000 2.057 438 K HA 0.006 4.327 4.320 0.002 0.000 0.206 438 K C 1.992 178.569 176.600 -0.038 0.000 1.050 438 K CA 1.094 57.354 56.287 -0.044 0.000 0.935 438 K CB -0.149 32.330 32.500 -0.035 0.000 0.715 438 K HN 0.228 nan 8.250 nan 0.000 0.439 439 A N 0.992 123.789 122.820 -0.039 0.000 1.930 439 A HA -0.013 4.308 4.320 0.002 0.000 0.215 439 A C 1.882 179.447 177.584 -0.031 0.000 1.176 439 A CA 1.017 53.041 52.037 -0.021 0.000 0.632 439 A CB 0.070 19.073 19.000 0.005 0.000 0.819 439 A HN 0.107 nan 8.150 nan 0.000 0.445 440 R N -3.032 117.437 120.500 -0.051 0.000 2.513 440 R HA 0.226 4.567 4.340 0.002 0.000 0.245 440 R C 0.940 177.216 176.300 -0.040 0.000 0.908 440 R CA 0.709 56.782 56.100 -0.045 0.000 1.023 440 R CB 0.850 31.113 30.300 -0.061 0.000 1.338 440 R HN 0.724 nan 8.270 nan 0.000 0.575 441 G N 0.766 109.537 108.800 -0.048 0.000 2.141 441 G HA2 -0.181 3.780 3.960 0.002 0.000 0.242 441 G HA3 -0.181 3.780 3.960 0.002 0.000 0.242 441 G C 0.227 175.119 174.900 -0.014 0.000 0.982 441 G CA 0.085 45.157 45.100 -0.047 0.000 0.662 441 G HN 0.739 nan 8.290 nan 0.000 0.527 442 G N -2.287 106.506 108.800 -0.011 0.000 2.343 442 G HA2 0.534 4.495 3.960 0.002 0.000 0.289 442 G HA3 0.534 4.495 3.960 0.002 0.000 0.289 442 G C -0.917 173.986 174.900 0.004 0.000 1.295 442 G CA 0.438 45.557 45.100 0.031 0.000 0.869 442 G HN 1.893 nan 8.290 nan 0.000 0.522 443 C N 2.009 121.334 119.300 0.042 0.000 2.817 443 C HA 0.715 5.176 4.460 0.002 0.000 0.385 443 C C -2.537 172.416 174.990 -0.060 0.000 1.050 443 C CA -1.128 57.864 59.018 -0.045 0.000 1.245 443 C CB 1.229 28.878 27.740 -0.150 0.000 1.706 443 C HN 0.713 nan 8.230 nan 0.000 0.488 444 P HA 0.406 nan 4.420 nan 0.000 0.271 444 P C -0.663 176.517 177.300 -0.200 0.000 1.220 444 P CA 0.571 63.270 63.100 -0.668 0.000 0.768 444 P CB 1.114 32.164 31.700 -1.084 0.000 0.848 445 A N 2.609 125.388 122.820 -0.068 0.000 2.486 445 A HA 0.489 4.810 4.320 0.002 0.000 0.300 445 A C -1.184 176.449 177.584 0.083 0.000 1.048 445 A CA -0.530 51.561 52.037 0.090 0.000 0.696 445 A CB 1.424 20.585 19.000 0.267 0.000 1.278 445 A HN 0.459 nan 8.150 nan 0.000 0.405 446 D N 1.487 121.926 120.400 0.065 0.000 2.441 446 D HA 0.185 4.826 4.640 0.002 0.000 0.231 446 D C 0.618 177.036 176.300 0.197 0.000 1.073 446 D CA -0.510 53.549 54.000 0.097 0.000 0.850 446 D CB 0.595 41.375 40.800 -0.033 0.000 1.062 446 D HN 0.588 nan 8.370 nan 0.000 0.524 447 W N 4.238 125.577 121.300 0.065 0.000 2.335 447 W HA -0.198 4.463 4.660 0.002 0.000 0.311 447 W C 1.916 178.478 176.519 0.073 0.000 1.213 447 W CA 2.058 59.434 57.345 0.053 0.000 1.274 447 W CB 0.074 29.542 29.460 0.013 0.000 1.148 447 W HN 0.569 nan 8.180 nan 0.000 0.498 448 A N -1.260 121.849 122.820 0.482 0.000 2.070 448 A HA -0.181 4.140 4.320 0.002 0.000 0.220 448 A C 1.345 179.025 177.584 0.160 0.000 1.159 448 A CA 1.537 53.780 52.037 0.344 0.000 0.656 448 A CB -1.120 18.103 19.000 0.372 0.000 0.800 448 A HN 0.546 nan 8.150 nan 0.000 0.453 449 W N -1.169 120.089 121.300 -0.071 0.000 2.808 449 W HA 0.246 4.907 4.660 0.002 0.000 0.266 449 W C 1.811 178.206 176.519 -0.206 0.000 1.247 449 W CA -0.260 57.019 57.345 -0.110 0.000 1.440 449 W CB -0.016 29.402 29.460 -0.070 0.000 1.040 449 W HN 0.119 nan 8.180 nan 0.000 0.606 450 I N -0.049 120.473 120.570 -0.081 0.000 2.277 450 I HA -0.072 4.099 4.170 0.002 0.000 0.243 450 I C 0.698 176.612 176.117 -0.339 0.000 1.094 450 I CA 0.760 61.887 61.300 -0.288 0.000 1.393 450 I CB -1.491 36.274 38.000 -0.391 0.000 1.078 450 I HN -0.437 nan 8.210 nan 0.000 0.417 451 V N 4.813 124.423 119.914 -0.506 0.000 2.509 451 V HA 0.006 4.127 4.120 0.002 0.000 0.297 451 V C -1.756 174.161 176.094 -0.296 0.000 1.014 451 V CA -0.739 61.262 62.300 -0.498 0.000 1.127 451 V CB -0.485 30.786 31.823 -0.921 0.000 0.925 451 V HN 0.188 nan 8.190 nan 0.000 0.480 452 P HA 0.215 nan 4.420 nan 0.000 0.272 452 P C -2.046 175.123 177.300 -0.218 0.000 1.240 452 P CA -1.635 61.338 63.100 -0.212 0.000 0.791 452 P CB 0.140 31.711 31.700 -0.215 0.000 0.978 453 P HA 0.078 nan 4.420 nan 0.000 0.241 453 P C 0.321 177.504 177.300 -0.195 0.000 1.191 453 P CA 0.836 63.817 63.100 -0.198 0.000 0.771 453 P CB 0.096 31.677 31.700 -0.199 0.000 0.929 454 I N -5.998 114.411 120.570 -0.269 0.000 2.785 454 I HA 0.505 4.676 4.170 0.002 0.000 0.302 454 I C 0.001 175.980 176.117 -0.229 0.000 1.069 454 I CA -1.251 59.907 61.300 -0.236 0.000 1.045 454 I CB 1.861 39.707 38.000 -0.256 0.000 1.236 454 I HN -0.403 nan 8.210 nan 0.000 0.429 455 S N 2.174 117.799 115.700 -0.125 0.000 3.641 455 S HA -0.174 4.297 4.470 0.002 0.000 0.346 455 S C 1.320 175.879 174.600 -0.068 0.000 1.074 455 S CA 0.719 58.886 58.200 -0.055 0.000 1.026 455 S CB -1.571 61.663 63.200 0.056 0.000 0.908 455 S HN 1.237 nan 8.310 nan 0.000 0.479 456 G N 2.083 110.821 108.800 -0.104 0.000 2.491 456 G HA2 -0.271 3.690 3.960 0.002 0.000 0.218 456 G HA3 -0.271 3.690 3.960 0.002 0.000 0.218 456 G C 1.460 176.259 174.900 -0.170 0.000 1.180 456 G CA 1.436 46.499 45.100 -0.062 0.000 0.774 456 G HN 1.197 nan 8.290 nan 0.000 0.562 457 S N -0.038 115.302 115.700 -0.600 0.000 2.522 457 S HA 0.119 4.590 4.470 0.002 0.000 0.227 457 S C 2.022 176.489 174.600 -0.222 0.000 0.986 457 S CA 0.470 58.038 58.200 -1.053 0.000 0.929 457 S CB -0.068 62.290 63.200 -1.403 0.000 0.769 457 S HN 0.050 nan 8.310 nan 0.000 0.529 458 L N 2.710 123.886 121.223 -0.078 0.000 2.456 458 L HA 0.166 4.507 4.340 0.002 0.000 0.224 458 L C 1.390 178.376 176.870 0.194 0.000 1.148 458 L CA 0.911 55.810 54.840 0.099 0.000 0.825 458 L CB -1.303 40.847 42.059 0.151 0.000 0.937 458 L HN 0.640 nan 8.230 nan 0.000 0.450 459 T N -4.552 110.099 114.554 0.162 0.000 2.895 459 T HA 0.387 4.737 4.350 0.002 0.000 0.283 459 T C -1.825 173.029 174.700 0.256 0.000 1.014 459 T CA -2.000 60.221 62.100 0.201 0.000 1.037 459 T CB 2.021 70.964 68.868 0.126 0.000 1.006 459 T HN -0.153 nan 8.240 nan 0.000 0.468 460 P HA -0.033 nan 4.420 nan 0.000 0.230 460 P C 1.738 179.229 177.300 0.318 0.000 1.158 460 P CA 0.575 63.877 63.100 0.336 0.000 0.769 460 P CB -0.376 31.468 31.700 0.240 0.000 0.807 461 V N -3.800 116.247 119.914 0.222 0.000 2.515 461 V HA -0.197 3.924 4.120 0.002 0.000 0.250 461 V C 2.300 178.481 176.094 0.145 0.000 1.058 461 V CA 1.171 63.569 62.300 0.162 0.000 1.064 461 V CB -2.212 29.637 31.823 0.044 0.000 0.675 461 V HN -0.095 nan 8.190 nan 0.000 0.461 462 F N 1.946 121.866 119.950 -0.050 0.000 2.161 462 F HA -0.178 4.349 4.527 0.001 0.000 0.300 462 F C 2.375 178.263 175.800 0.147 0.000 1.089 462 F CA 2.233 60.216 58.000 -0.029 0.000 1.282 462 F CB -0.265 38.577 39.000 -0.262 0.000 1.010 462 F HN 0.302 nan 8.300 nan 0.000 0.485 463 H N -1.048 118.338 119.070 0.526 0.000 2.517 463 H HA 0.152 4.709 4.556 0.001 0.000 0.282 463 H C 0.126 175.697 175.328 0.404 0.000 1.023 463 H CA 0.089 56.408 56.048 0.452 0.000 1.169 463 H CB -0.127 29.891 29.762 0.426 0.000 1.454 463 H HN 0.239 nan 8.280 nan 0.000 0.556 464 Q N 1.981 122.051 119.800 0.450 0.000 2.347 464 Q HA 0.174 4.514 4.340 0.002 0.000 0.262 464 Q C -0.534 175.694 176.000 0.380 0.000 0.980 464 Q CA -0.440 55.580 55.803 0.361 0.000 0.867 464 Q CB 0.809 29.726 28.738 0.299 0.000 1.242 464 Q HN 0.237 nan 8.270 nan 0.000 0.453 465 E N 3.147 123.523 120.200 0.292 0.000 2.418 465 E HA 0.233 4.584 4.350 0.002 0.000 0.261 465 E C -0.515 176.219 176.600 0.223 0.000 1.070 465 E CA 0.448 56.979 56.400 0.218 0.000 0.931 465 E CB 0.715 30.520 29.700 0.175 0.000 0.954 465 E HN 0.588 nan 8.360 nan 0.000 0.439 466 M N 1.614 121.343 119.600 0.216 0.000 2.322 466 M HA 0.276 4.757 4.480 0.002 0.000 0.286 466 M C -1.303 175.108 176.300 0.185 0.000 1.111 466 M CA -0.820 54.619 55.300 0.231 0.000 0.941 466 M CB 2.221 35.019 32.600 0.329 0.000 1.671 466 M HN 0.158 nan 8.290 nan 0.000 0.470 467 V N 2.194 122.224 119.914 0.195 0.000 2.539 467 V HA 0.552 4.673 4.120 0.002 0.000 0.292 467 V C -0.414 175.803 176.094 0.206 0.000 1.045 467 V CA -0.611 61.836 62.300 0.245 0.000 0.945 467 V CB 1.679 33.708 31.823 0.343 0.000 0.993 467 V HN 0.839 nan 8.190 nan 0.000 0.464 468 N N 2.925 121.752 118.700 0.212 0.000 2.295 468 N HA 0.659 5.400 4.740 0.002 0.000 0.293 468 N C -1.390 174.203 175.510 0.137 0.000 1.040 468 N CA -0.534 52.532 53.050 0.027 0.000 0.840 468 N CB 1.837 40.347 38.487 0.038 0.000 1.468 468 N HN 0.693 nan 8.380 nan 0.000 0.478 469 Y N 0.184 120.500 120.300 0.027 0.000 2.702 469 Y HA 0.515 5.066 4.550 0.001 0.000 0.336 469 Y C -1.372 174.536 175.900 0.013 0.000 1.203 469 Y CA -1.234 56.878 58.100 0.020 0.000 1.072 469 Y CB 0.643 39.120 38.460 0.028 0.000 1.327 469 Y HN 0.225 nan 8.280 nan 0.000 0.456 470 I N 3.666 124.338 120.570 0.170 0.000 2.304 470 I HA 0.411 4.582 4.170 0.002 0.000 0.291 470 I C -0.633 175.559 176.117 0.125 0.000 1.018 470 I CA -0.426 60.923 61.300 0.080 0.000 1.260 470 I CB 0.849 38.881 38.000 0.053 0.000 1.390 470 I HN 0.420 nan 8.210 nan 0.000 0.475 471 L N 4.931 126.201 121.223 0.079 0.000 2.334 471 L HA 0.552 4.893 4.340 0.002 0.000 0.272 471 L C 0.182 177.074 176.870 0.036 0.000 1.020 471 L CA -0.515 54.376 54.840 0.084 0.000 0.812 471 L CB 1.905 44.015 42.059 0.084 0.000 1.264 471 L HN 0.544 nan 8.230 nan 0.000 0.439 472 S N 1.766 117.498 115.700 0.053 0.000 2.501 472 S HA 0.612 5.083 4.470 0.002 0.000 0.301 472 S C -2.547 172.101 174.600 0.080 0.000 1.096 472 S CA -1.460 56.765 58.200 0.041 0.000 1.063 472 S CB 1.661 64.896 63.200 0.059 0.000 1.042 472 S HN 0.252 nan 8.310 nan 0.000 0.494 473 P HA 0.387 nan 4.420 nan 0.000 0.268 473 P C -1.291 175.922 177.300 -0.146 0.000 1.205 473 P CA -0.091 62.974 63.100 -0.059 0.000 0.771 473 P CB 0.707 32.352 31.700 -0.091 0.000 0.858 474 A N 2.396 125.103 122.820 -0.188 0.000 2.527 474 A HA 0.730 5.051 4.320 0.002 0.000 0.293 474 A C -1.298 176.092 177.584 -0.324 0.000 1.117 474 A CA -0.565 51.350 52.037 -0.204 0.000 0.723 474 A CB 0.810 19.775 19.000 -0.059 0.000 1.313 474 A HN 0.323 nan 8.150 nan 0.000 0.411 475 F N 1.204 121.140 119.950 -0.022 0.000 2.420 475 F HA 0.529 5.057 4.527 0.002 0.000 0.352 475 F C 1.141 176.955 175.800 0.024 0.000 1.108 475 F CA 0.235 58.238 58.000 0.005 0.000 1.162 475 F CB 1.165 40.155 39.000 -0.017 0.000 1.118 475 F HN 0.450 nan 8.300 nan 0.000 0.510 476 R N 1.817 122.435 120.500 0.196 0.000 2.732 476 R HA 0.324 4.665 4.340 0.002 0.000 0.278 476 R C -1.152 175.250 176.300 0.170 0.000 0.976 476 R CA -1.182 55.005 56.100 0.145 0.000 0.963 476 R CB 1.791 32.141 30.300 0.083 0.000 1.150 476 R HN 0.594 nan 8.270 nan 0.000 0.478 477 Y N 2.106 122.435 120.300 0.049 0.000 2.336 477 Y HA 0.034 4.585 4.550 0.002 0.000 0.331 477 Y C -0.166 175.742 175.900 0.014 0.000 1.211 477 Y CA 0.351 58.471 58.100 0.034 0.000 1.346 477 Y CB 0.828 39.295 38.460 0.012 0.000 1.271 477 Y HN 0.481 nan 8.280 nan 0.000 0.538 478 Q N 5.743 125.084 119.800 -0.765 0.000 2.423 478 Q HA 0.563 4.904 4.340 0.002 0.000 0.278 478 Q C -2.999 172.683 176.000 -0.531 0.000 1.097 478 Q CA -2.570 52.964 55.803 -0.448 0.000 0.809 478 Q CB 2.155 30.744 28.738 -0.248 0.000 1.391 478 Q HN 0.386 nan 8.270 nan 0.000 0.428 479 P HA 0.006 nan 4.420 nan 0.000 0.264 479 P C -0.809 176.244 177.300 -0.412 0.000 1.193 479 P CA 0.087 63.031 63.100 -0.259 0.000 0.763 479 P CB 0.383 31.970 31.700 -0.188 0.000 0.810 480 D N 5.151 125.213 120.400 -0.562 0.000 2.533 480 D HA -0.011 4.630 4.640 0.002 0.000 0.236 480 D C -1.254 174.496 176.300 -0.918 0.000 1.137 480 D CA -0.837 52.596 54.000 -0.946 0.000 0.867 480 D CB -0.175 39.662 40.800 -1.604 0.000 1.170 480 D HN 0.268 nan 8.370 nan 0.000 0.474 481 P HA 0.009 nan 4.420 nan 0.000 0.236 481 P C -0.335 176.733 177.300 -0.387 0.000 1.172 481 P CA 0.519 63.295 63.100 -0.539 0.000 0.759 481 P CB 0.003 31.327 31.700 -0.627 0.000 0.843 482 W N 0.000 120.982 121.300 -0.530 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.152 57.345 -0.321 0.000 1.226 482 W CB 0.000 29.224 29.460 -0.392 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535