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 3n5t_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 0.000 176.271 176.600 -0.549 0.000 0.988 69 K CA 0.000 56.032 56.287 -0.425 0.000 0.838 69 K CB 0.000 32.212 32.500 -0.480 0.000 1.064 70 F N 4.555 124.508 119.950 0.005 0.000 2.332 70 F HA 0.348 4.876 4.527 0.001 0.000 0.368 70 F C -2.194 173.694 175.800 0.147 0.000 1.110 70 F CA -2.402 55.625 58.000 0.045 0.000 1.087 70 F CB 0.699 39.709 39.000 0.017 0.000 1.235 70 F HN -0.046 nan 8.300 nan 0.000 0.470 71 P HA 0.007 nan 4.420 nan 0.000 0.263 71 P C -0.258 177.170 177.300 0.214 0.000 1.195 71 P CA -0.255 62.965 63.100 0.200 0.000 0.762 71 P CB 0.745 32.525 31.700 0.133 0.000 0.799 72 R N 2.924 123.499 120.500 0.126 0.000 2.347 72 R HA 0.325 4.666 4.340 0.001 0.000 0.304 72 R C -1.077 175.140 176.300 -0.139 0.000 1.072 72 R CA -0.378 55.599 56.100 -0.205 0.000 0.980 72 R CB 0.392 30.592 30.300 -0.168 0.000 0.986 72 R HN 0.255 nan 8.270 nan 0.000 0.448 73 V N 5.692 125.486 119.914 -0.200 0.000 2.349 73 V HA 0.259 4.380 4.120 0.001 0.000 0.284 73 V C -0.142 175.880 176.094 -0.120 0.000 1.014 73 V CA -0.739 61.515 62.300 -0.078 0.000 0.826 73 V CB 1.157 32.972 31.823 -0.013 0.000 1.009 73 V HN 0.745 nan 8.190 nan 0.000 0.431 74 K N 3.873 124.207 120.400 -0.111 0.000 2.118 74 K HA 0.356 4.677 4.320 0.001 0.000 0.267 74 K C -0.065 176.444 176.600 -0.151 0.000 0.991 74 K CA -0.586 55.548 56.287 -0.254 0.000 0.916 74 K CB 0.968 33.140 32.500 -0.547 0.000 1.041 74 K HN 0.691 nan 8.250 nan 0.000 0.455 75 N N 3.790 122.390 118.700 -0.166 0.000 2.422 75 N HA 0.071 4.812 4.740 0.001 0.000 0.266 75 N C -0.363 175.100 175.510 -0.080 0.000 1.007 75 N CA -0.267 52.779 53.050 -0.006 0.000 0.941 75 N CB 0.510 39.017 38.487 0.034 0.000 1.115 75 N HN 0.646 nan 8.380 nan 0.000 0.492 76 W N 2.001 123.372 121.300 0.120 0.000 3.003 76 W HA 0.176 4.837 4.660 0.002 0.000 0.257 76 W C 2.035 178.599 176.519 0.075 0.000 1.308 76 W CA -0.226 57.181 57.345 0.102 0.000 1.529 76 W CB 0.307 29.844 29.460 0.128 0.000 1.115 76 W HN 0.658 nan 8.180 nan 0.000 0.659 77 E N 0.448 120.773 120.200 0.209 0.000 2.122 77 E HA -0.086 4.265 4.350 0.001 0.000 0.190 77 E C 1.510 178.123 176.600 0.022 0.000 0.977 77 E CA 0.989 57.406 56.400 0.029 0.000 0.820 77 E CB -0.057 29.583 29.700 -0.101 0.000 0.770 77 E HN 0.281 nan 8.360 nan 0.000 0.462 78 L N -1.259 119.975 121.223 0.018 0.000 2.731 78 L HA 0.379 4.720 4.340 0.001 0.000 0.240 78 L C 1.426 178.268 176.870 -0.046 0.000 1.120 78 L CA 0.327 55.162 54.840 -0.010 0.000 0.913 78 L CB 0.929 42.986 42.059 -0.003 0.000 1.213 78 L HN 0.304 nan 8.230 nan 0.000 0.515 79 G N 0.776 109.520 108.800 -0.093 0.000 2.189 79 G HA2 -0.334 3.627 3.960 0.001 0.000 0.267 79 G HA3 -0.334 3.627 3.960 0.001 0.000 0.267 79 G C 0.444 175.238 174.900 -0.176 0.000 0.975 79 G CA 0.511 45.509 45.100 -0.169 0.000 0.644 79 G HN 0.484 nan 8.290 nan 0.000 0.537 80 S N -0.513 115.107 115.700 -0.133 0.000 2.565 80 S HA 0.710 5.181 4.470 0.001 0.000 0.276 80 S C 0.049 174.550 174.600 -0.164 0.000 1.326 80 S CA -0.402 57.728 58.200 -0.117 0.000 1.045 80 S CB 1.784 64.942 63.200 -0.070 0.000 0.918 80 S HN 0.606 nan 8.310 nan 0.000 0.505 81 I N 2.407 122.879 120.570 -0.163 0.000 2.509 81 I HA 0.488 4.659 4.170 0.001 0.000 0.293 81 I C 0.395 176.387 176.117 -0.208 0.000 1.020 81 I CA -0.275 60.890 61.300 -0.225 0.000 1.088 81 I CB 2.573 40.422 38.000 -0.251 0.000 1.267 81 I HN 1.026 nan 8.210 nan 0.000 0.430 82 T N 1.329 115.733 114.554 -0.250 0.000 2.858 82 T HA 0.643 4.994 4.350 0.001 0.000 0.285 82 T C -1.101 173.369 174.700 -0.382 0.000 1.052 82 T CA -0.763 61.215 62.100 -0.205 0.000 1.009 82 T CB 1.494 70.316 68.868 -0.077 0.000 1.241 82 T HN 0.276 nan 8.240 nan 0.000 0.542 83 Y N -0.358 119.933 120.300 -0.015 0.000 2.462 83 Y HA 0.532 5.083 4.550 0.002 0.000 0.346 83 Y C -0.363 175.534 175.900 -0.004 0.000 0.976 83 Y CA -0.954 57.148 58.100 0.003 0.000 1.044 83 Y CB 2.038 40.485 38.460 -0.022 0.000 1.230 83 Y HN 0.718 nan 8.280 nan 0.000 0.455 84 D N 1.154 121.674 120.400 0.199 0.000 2.280 84 D HA 0.167 4.808 4.640 0.001 0.000 0.236 84 D C 0.434 176.821 176.300 0.145 0.000 1.082 84 D CA -0.043 54.041 54.000 0.141 0.000 0.834 84 D CB 1.704 42.604 40.800 0.166 0.000 1.100 84 D HN 0.770 nan 8.370 nan 0.000 0.486 85 T N 1.227 115.790 114.554 0.015 0.000 2.975 85 T HA -0.028 4.323 4.350 0.001 0.000 0.261 85 T C 1.762 176.473 174.700 0.019 0.000 0.984 85 T CA -0.185 61.880 62.100 -0.058 0.000 0.911 85 T CB 0.010 68.587 68.868 -0.486 0.000 1.127 85 T HN 0.214 nan 8.240 nan 0.000 0.514 86 L N 2.743 123.975 121.223 0.015 0.000 2.042 86 L HA -0.004 4.337 4.340 0.001 0.000 0.210 86 L C 2.767 179.586 176.870 -0.084 0.000 1.076 86 L CA 1.936 56.800 54.840 0.039 0.000 0.749 86 L CB -1.166 40.983 42.059 0.152 0.000 0.893 86 L HN 0.727 nan 8.230 nan 0.000 0.432 87 C N -1.326 117.732 119.300 -0.403 0.000 2.401 87 C HA -0.068 4.393 4.460 0.001 0.000 0.286 87 C C 2.750 177.512 174.990 -0.381 0.000 1.332 87 C CA 0.300 58.722 59.018 -0.993 0.000 1.795 87 C CB -2.287 24.749 27.740 -1.173 0.000 1.922 87 C HN 0.584 nan 8.230 nan 0.000 0.520 88 A N -0.104 122.653 122.820 -0.105 0.000 2.172 88 A HA -0.057 4.264 4.320 0.001 0.000 0.216 88 A C 2.208 179.785 177.584 -0.012 0.000 1.154 88 A CA 1.288 53.311 52.037 -0.024 0.000 0.701 88 A CB -0.432 18.635 19.000 0.112 0.000 0.789 88 A HN 0.687 nan 8.150 nan 0.000 0.465 89 Q N 0.097 119.893 119.800 -0.007 0.000 2.472 89 Q HA 0.053 4.394 4.340 0.001 0.000 0.208 89 Q C 0.797 176.825 176.000 0.047 0.000 0.958 89 Q CA 0.347 56.170 55.803 0.034 0.000 0.932 89 Q CB -0.514 28.259 28.738 0.059 0.000 1.007 89 Q HN 0.495 nan 8.270 nan 0.000 0.508 90 S N 1.143 116.858 115.700 0.026 0.000 2.498 90 S HA 0.014 4.485 4.470 0.001 0.000 0.281 90 S C 0.930 175.554 174.600 0.040 0.000 1.265 90 S CA -0.015 58.223 58.200 0.064 0.000 1.071 90 S CB 0.405 63.644 63.200 0.064 0.000 0.894 90 S HN 0.148 nan 8.310 nan 0.000 0.491 91 Q N 2.711 122.542 119.800 0.053 0.000 2.317 91 Q HA 0.204 4.545 4.340 0.001 0.000 0.220 91 Q C 0.090 176.112 176.000 0.037 0.000 0.873 91 Q CA 0.255 56.082 55.803 0.040 0.000 0.936 91 Q CB 0.498 29.264 28.738 0.046 0.000 1.105 91 Q HN 0.688 nan 8.270 nan 0.000 0.520 92 Q N 1.610 121.438 119.800 0.046 0.000 2.333 92 Q HA 0.175 4.516 4.340 0.001 0.000 0.268 92 Q C -1.145 174.881 176.000 0.044 0.000 1.007 92 Q CA -0.291 55.536 55.803 0.040 0.000 0.810 92 Q CB 1.354 30.116 28.738 0.041 0.000 1.264 92 Q HN 0.124 nan 8.270 nan 0.000 0.452 93 D N 2.189 122.609 120.400 0.032 0.000 2.372 93 D HA 0.171 4.812 4.640 0.001 0.000 0.243 93 D C 0.322 176.642 176.300 0.034 0.000 1.121 93 D CA 0.328 54.347 54.000 0.031 0.000 0.898 93 D CB 1.236 42.048 40.800 0.020 0.000 1.202 93 D HN 0.664 nan 8.370 nan 0.000 0.428 94 G N 0.954 109.777 108.800 0.039 0.000 2.531 94 G HA2 0.328 4.289 3.960 0.001 0.000 0.281 94 G HA3 0.328 4.289 3.960 0.001 0.000 0.281 94 G C -1.404 173.510 174.900 0.023 0.000 1.382 94 G CA -0.555 44.564 45.100 0.033 0.000 1.045 94 G HN 0.313 nan 8.290 nan 0.000 0.533 95 P HA 0.153 nan 4.420 nan 0.000 0.230 95 P C 0.407 177.715 177.300 0.014 0.000 1.168 95 P CA 0.025 63.133 63.100 0.014 0.000 0.793 95 P CB 0.089 31.796 31.700 0.010 0.000 0.851 96 C N 1.089 120.400 119.300 0.019 0.000 2.604 96 C HA 0.519 4.980 4.460 0.001 0.000 0.396 96 C C 1.105 176.102 174.990 0.012 0.000 1.282 96 C CA 0.054 59.081 59.018 0.016 0.000 2.292 96 C CB 0.285 28.038 27.740 0.022 0.000 2.633 96 C HN 0.391 nan 8.230 nan 0.000 0.620 97 T N -0.962 113.596 114.554 0.007 0.000 2.901 97 T HA 0.449 4.800 4.350 0.001 0.000 0.293 97 T C -2.216 172.485 174.700 0.001 0.000 1.084 97 T CA -1.275 60.827 62.100 0.003 0.000 1.008 97 T CB 1.431 70.300 68.868 0.002 0.000 1.170 97 T HN 0.300 nan 8.240 nan 0.000 0.509 98 P HA -0.063 nan 4.420 nan 0.000 0.217 98 P C 1.448 178.747 177.300 -0.003 0.000 1.148 98 P CA 0.864 63.962 63.100 -0.003 0.000 0.828 98 P CB 0.107 31.803 31.700 -0.006 0.000 0.783 99 R N -0.314 120.185 120.500 -0.003 0.000 2.090 99 R HA -0.043 4.298 4.340 0.001 0.000 0.228 99 R C 0.618 176.916 176.300 -0.003 0.000 1.110 99 R CA 0.793 56.891 56.100 -0.003 0.000 0.973 99 R CB 0.189 30.488 30.300 -0.003 0.000 0.869 99 R HN 0.097 nan 8.270 nan 0.000 0.440 100 R N -0.267 120.232 120.500 -0.002 0.000 2.604 100 R HA 0.140 4.481 4.340 0.001 0.000 0.270 100 R C -1.787 174.513 176.300 0.001 0.000 1.052 100 R CA -0.696 55.404 56.100 -0.001 0.000 0.902 100 R CB 0.186 30.485 30.300 -0.001 0.000 1.233 100 R HN 0.070 nan 8.270 nan 0.000 0.455 101 C N 4.177 123.477 119.300 -0.000 0.000 2.394 101 C HA 0.458 4.919 4.460 0.001 0.000 0.362 101 C C 0.394 175.389 174.990 0.009 0.000 1.268 101 C CA -0.538 58.482 59.018 0.004 0.000 1.828 101 C CB -0.782 26.957 27.740 -0.002 0.000 2.442 101 C HN 0.657 nan 8.230 nan 0.000 0.549 102 L N 6.444 127.676 121.223 0.014 0.000 3.017 102 L HA 0.320 4.661 4.340 0.001 0.000 0.255 102 L C 2.071 178.957 176.870 0.028 0.000 1.247 102 L CA 0.643 55.494 54.840 0.018 0.000 1.038 102 L CB -0.419 41.648 42.059 0.014 0.000 1.380 102 L HN 1.036 nan 8.230 nan 0.000 0.548 103 G N -0.345 108.474 108.800 0.033 0.000 2.479 103 G HA2 -0.276 3.685 3.960 0.001 0.000 0.220 103 G HA3 -0.276 3.685 3.960 0.001 0.000 0.220 103 G C 1.490 176.435 174.900 0.075 0.000 1.115 103 G CA 1.211 46.340 45.100 0.049 0.000 0.757 103 G HN 0.533 nan 8.290 nan 0.000 0.560 104 S N -0.422 115.324 115.700 0.076 0.000 2.548 104 S HA 0.330 4.801 4.470 0.001 0.000 0.215 104 S C 0.938 175.606 174.600 0.112 0.000 0.976 104 S CA -0.555 57.713 58.200 0.113 0.000 0.908 104 S CB -0.100 63.156 63.200 0.092 0.000 0.781 104 S HN 0.162 nan 8.310 nan 0.000 0.519 105 L N 2.018 123.283 121.223 0.071 0.000 2.456 105 L HA 0.201 4.542 4.340 0.001 0.000 0.272 105 L C 1.495 178.403 176.870 0.063 0.000 1.189 105 L CA -0.481 54.392 54.840 0.055 0.000 0.846 105 L CB 0.632 42.704 42.059 0.023 0.000 1.111 105 L HN 0.032 nan 8.230 nan 0.000 0.475 106 V N 3.737 123.694 119.914 0.071 0.000 2.548 106 V HA -0.113 4.008 4.120 0.001 0.000 0.249 106 V C 0.414 176.468 176.094 -0.067 0.000 1.055 106 V CA 1.288 63.633 62.300 0.074 0.000 1.065 106 V CB -0.442 31.450 31.823 0.116 0.000 0.681 106 V HN 0.697 nan 8.190 nan 0.000 0.462 107 L N -2.236 118.942 121.223 -0.075 0.000 2.526 107 L HA 0.771 5.112 4.340 0.001 0.000 0.263 107 L C -3.223 173.619 176.870 -0.046 0.000 0.943 107 L CA -1.606 53.177 54.840 -0.096 0.000 0.859 107 L CB 0.930 42.878 42.059 -0.184 0.000 1.313 107 L HN -0.199 nan 8.230 nan 0.000 0.406 108 P HA 0.636 nan 4.420 nan 0.000 0.287 108 P C -0.618 176.682 177.300 -0.001 0.000 1.270 108 P CA -0.701 62.393 63.100 -0.009 0.000 0.844 108 P CB 1.002 32.701 31.700 -0.003 0.000 1.068 122 A N -0.355 122.467 122.820 0.003 0.000 2.423 122 A HA 0.211 4.532 4.320 0.001 0.000 0.246 122 A C 1.311 178.891 177.584 -0.006 0.000 1.278 122 A CA 0.469 52.507 52.037 0.001 0.000 0.903 122 A CB -0.310 18.692 19.000 0.003 0.000 0.997 122 A HN 0.449 nan 8.150 nan 0.000 0.510 123 E N -0.727 119.471 120.200 -0.004 0.000 2.075 123 E HA -0.139 4.212 4.350 0.001 0.000 0.190 123 E C 1.873 178.472 176.600 -0.001 0.000 0.969 123 E CA 0.716 57.112 56.400 -0.006 0.000 0.815 123 E CB -0.035 29.663 29.700 -0.003 0.000 0.776 123 E HN 0.634 nan 8.360 nan 0.000 0.457 124 Q N 1.055 120.857 119.800 0.004 0.000 1.998 124 Q HA -0.233 4.108 4.340 0.001 0.000 0.209 124 Q C 2.226 178.235 176.000 0.015 0.000 1.002 124 Q CA 1.793 57.602 55.803 0.011 0.000 0.858 124 Q CB -0.343 28.402 28.738 0.011 0.000 0.932 124 Q HN 0.193 nan 8.270 nan 0.000 0.416 125 L N -0.272 120.960 121.223 0.015 0.000 2.079 125 L HA -0.137 4.204 4.340 0.001 0.000 0.210 125 L C 2.067 178.932 176.870 -0.008 0.000 1.081 125 L CA 1.573 56.428 54.840 0.025 0.000 0.752 125 L CB -0.543 41.541 42.059 0.040 0.000 0.896 125 L HN 0.405 nan 8.230 nan 0.000 0.433 126 L N -0.822 120.382 121.223 -0.033 0.000 2.056 126 L HA -0.175 4.166 4.340 0.001 0.000 0.207 126 L C 2.689 179.533 176.870 -0.043 0.000 1.078 126 L CA 1.888 56.685 54.840 -0.071 0.000 0.749 126 L CB -0.469 41.555 42.059 -0.059 0.000 0.901 126 L HN 0.589 nan 8.230 nan 0.000 0.433 127 S N -1.744 113.951 115.700 -0.008 0.000 2.387 127 S HA -0.210 4.261 4.470 0.001 0.000 0.226 127 S C 1.923 176.550 174.600 0.045 0.000 1.026 127 S CA 0.920 59.128 58.200 0.013 0.000 0.972 127 S CB -0.548 62.661 63.200 0.016 0.000 0.814 127 S HN 0.575 nan 8.310 nan 0.000 0.477 128 Q N 1.136 120.970 119.800 0.057 0.000 2.124 128 Q HA 0.013 4.354 4.340 0.001 0.000 0.202 128 Q C 2.538 178.636 176.000 0.162 0.000 0.977 128 Q CA 1.547 57.412 55.803 0.103 0.000 0.850 128 Q CB -0.526 28.266 28.738 0.090 0.000 0.901 128 Q HN 0.789 nan 8.270 nan 0.000 0.429 129 A N 0.861 123.741 122.820 0.099 0.000 1.873 129 A HA -0.173 4.148 4.320 0.001 0.000 0.215 129 A C 1.937 179.598 177.584 0.129 0.000 1.186 129 A CA 1.113 53.211 52.037 0.101 0.000 0.616 129 A CB -0.399 18.412 19.000 -0.315 0.000 0.823 129 A HN 0.191 nan 8.150 nan 0.000 0.442 130 R N -0.516 120.007 120.500 0.039 0.000 2.122 130 R HA -0.250 4.091 4.340 0.001 0.000 0.236 130 R C 2.088 178.458 176.300 0.118 0.000 1.129 130 R CA 2.166 58.297 56.100 0.051 0.000 0.925 130 R CB -0.674 29.635 30.300 0.014 0.000 0.850 130 R HN 0.689 nan 8.270 nan 0.000 0.431 131 D N -0.496 119.981 120.400 0.127 0.000 2.133 131 D HA -0.227 4.414 4.640 0.001 0.000 0.195 131 D C 1.686 178.106 176.300 0.199 0.000 0.997 131 D CA 1.450 55.538 54.000 0.146 0.000 0.840 131 D CB -0.110 40.774 40.800 0.139 0.000 0.947 131 D HN 0.211 nan 8.370 nan 0.000 0.452 132 F N 0.483 120.530 119.950 0.162 0.000 2.186 132 F HA -0.043 4.485 4.527 0.001 0.000 0.299 132 F C 1.890 177.861 175.800 0.285 0.000 1.090 132 F CA 0.859 58.996 58.000 0.228 0.000 1.307 132 F CB -0.112 39.023 39.000 0.225 0.000 1.019 132 F HN -0.013 nan 8.300 nan 0.000 0.489 133 I N 1.034 121.629 120.570 0.041 0.000 2.286 133 I HA -0.298 3.873 4.170 0.001 0.000 0.248 133 I C 1.942 178.157 176.117 0.164 0.000 1.115 133 I CA 1.161 62.513 61.300 0.086 0.000 1.392 133 I CB -1.478 36.669 38.000 0.245 0.000 1.065 133 I HN 0.250 nan 8.210 nan 0.000 0.418 134 N N 1.103 119.901 118.700 0.163 0.000 2.084 134 N HA -0.201 4.540 4.740 0.001 0.000 0.190 134 N C 1.796 177.286 175.510 -0.034 0.000 1.030 134 N CA 1.206 54.343 53.050 0.145 0.000 0.849 134 N CB -0.443 38.130 38.487 0.143 0.000 1.012 134 N HN 0.501 nan 8.380 nan 0.000 0.423 135 Q N -0.635 119.143 119.800 -0.036 0.000 2.234 135 Q HA -0.185 4.156 4.340 0.001 0.000 0.206 135 Q C 1.661 177.456 176.000 -0.341 0.000 0.980 135 Q CA 1.138 56.919 55.803 -0.036 0.000 0.869 135 Q CB -0.214 28.631 28.738 0.178 0.000 0.912 135 Q HN 0.501 nan 8.270 nan 0.000 0.436 136 Y N -0.282 119.621 120.300 -0.663 0.000 2.153 136 Y HA -0.242 4.308 4.550 0.001 0.000 0.289 136 Y C 1.615 177.036 175.900 -0.799 0.000 1.127 136 Y CA 1.423 58.867 58.100 -1.093 0.000 1.131 136 Y CB -0.313 37.622 38.460 -0.875 0.000 0.995 136 Y HN 0.008 nan 8.280 nan 0.000 0.505 137 Y N -0.783 119.160 120.300 -0.594 0.000 2.314 137 Y HA -0.159 4.391 4.550 0.001 0.000 0.293 137 Y C 3.048 178.609 175.900 -0.565 0.000 1.129 137 Y CA 1.648 59.369 58.100 -0.631 0.000 1.201 137 Y CB -0.763 37.280 38.460 -0.696 0.000 0.999 137 Y HN 0.175 nan 8.280 nan 0.000 0.541 138 S N -0.433 115.061 115.700 -0.343 0.000 2.359 138 S HA -0.245 4.226 4.470 0.001 0.000 0.224 138 S C 2.384 176.813 174.600 -0.285 0.000 1.035 138 S CA 1.709 59.758 58.200 -0.251 0.000 1.018 138 S CB -0.721 62.386 63.200 -0.156 0.000 0.876 138 S HN 0.595 nan 8.310 nan 0.000 0.448 139 S N 1.325 116.772 115.700 -0.422 0.000 2.469 139 S HA -0.069 4.402 4.470 0.001 0.000 0.238 139 S C 1.485 175.858 174.600 -0.378 0.000 0.998 139 S CA 1.115 59.100 58.200 -0.358 0.000 0.957 139 S CB -0.853 62.057 63.200 -0.483 0.000 0.764 139 S HN 0.790 nan 8.310 nan 0.000 0.514 140 I N -3.889 116.368 120.570 -0.521 0.000 3.974 140 I HA 0.474 4.645 4.170 0.001 0.000 0.334 140 I C 0.039 176.004 176.117 -0.254 0.000 1.437 140 I CA -0.614 60.443 61.300 -0.405 0.000 1.113 140 I CB 0.154 37.819 38.000 -0.559 0.000 1.063 140 I HN -0.141 nan 8.210 nan 0.000 0.400 141 K N 1.644 121.915 120.400 -0.215 0.000 3.088 141 K HA -0.170 4.151 4.320 0.001 0.000 0.273 141 K C 0.359 176.898 176.600 -0.101 0.000 1.111 141 K CA 0.508 56.715 56.287 -0.133 0.000 0.803 141 K CB -1.359 31.085 32.500 -0.095 0.000 1.226 141 K HN 0.500 nan 8.250 nan 0.000 0.485 142 R N -0.088 120.349 120.500 -0.106 0.000 2.507 142 R HA 0.115 4.456 4.340 0.001 0.000 0.298 142 R C 0.231 176.521 176.300 -0.016 0.000 0.999 142 R CA -0.145 55.952 56.100 -0.005 0.000 1.082 142 R CB 0.520 30.878 30.300 0.096 0.000 1.246 142 R HN 0.085 nan 8.270 nan 0.000 0.553 143 S N -0.004 115.623 115.700 -0.121 0.000 2.575 143 S HA 0.211 4.682 4.470 0.001 0.000 0.295 143 S C 1.268 175.856 174.600 -0.020 0.000 1.267 143 S CA 1.278 59.355 58.200 -0.206 0.000 1.074 143 S CB 0.209 63.317 63.200 -0.154 0.000 0.829 143 S HN 0.724 nan 8.310 nan 0.000 0.497 144 G N 3.155 112.079 108.800 0.207 0.000 2.184 144 G HA2 -0.300 3.661 3.960 0.001 0.000 0.264 144 G HA3 -0.300 3.661 3.960 0.001 0.000 0.264 144 G C 0.316 175.268 174.900 0.086 0.000 0.975 144 G CA 0.624 45.836 45.100 0.187 0.000 0.642 144 G HN 1.322 nan 8.290 nan 0.000 0.536 145 S N -1.136 114.607 115.700 0.071 0.000 2.646 145 S HA 0.573 5.044 4.470 0.001 0.000 0.273 145 S C 1.330 175.933 174.600 0.004 0.000 1.168 145 S CA 0.401 58.619 58.200 0.030 0.000 1.013 145 S CB 0.997 64.220 63.200 0.039 0.000 1.098 145 S HN 0.206 nan 8.310 nan 0.000 0.544 146 Q N 0.137 119.937 119.800 0.000 0.000 2.016 146 Q HA -0.051 4.290 4.340 0.001 0.000 0.200 146 Q C 2.645 178.625 176.000 -0.033 0.000 0.978 146 Q CA 1.617 57.409 55.803 -0.018 0.000 0.833 146 Q CB -1.043 27.694 28.738 -0.002 0.000 0.895 146 Q HN 0.898 nan 8.270 nan 0.000 0.427 147 A N 0.798 123.627 122.820 0.015 0.000 1.986 147 A HA -0.259 4.062 4.320 0.001 0.000 0.220 147 A C 1.905 179.380 177.584 -0.181 0.000 1.171 147 A CA 1.867 53.934 52.037 0.049 0.000 0.640 147 A CB -0.978 18.164 19.000 0.237 0.000 0.811 147 A HN 0.528 nan 8.150 nan 0.000 0.451 148 H N -0.553 118.154 119.070 -0.604 0.000 2.326 148 H HA -0.099 4.458 4.556 0.001 0.000 0.301 148 H C 1.922 176.949 175.328 -0.502 0.000 1.081 148 H CA 1.324 56.713 56.048 -1.099 0.000 1.334 148 H CB 0.133 29.424 29.762 -0.784 0.000 1.385 148 H HN 0.539 nan 8.280 nan 0.000 0.504 149 E N 0.830 120.824 120.200 -0.344 0.000 2.051 149 E HA -0.165 4.186 4.350 0.001 0.000 0.192 149 E C 2.005 178.487 176.600 -0.197 0.000 0.991 149 E CA 0.947 57.171 56.400 -0.293 0.000 0.799 149 E CB -0.225 29.371 29.700 -0.173 0.000 0.748 149 E HN 0.678 nan 8.360 nan 0.000 0.449 150 E N 0.348 120.471 120.200 -0.130 0.000 2.347 150 E HA -0.126 4.225 4.350 0.001 0.000 0.196 150 E C 2.081 178.659 176.600 -0.037 0.000 1.008 150 E CA 0.396 56.759 56.400 -0.062 0.000 0.852 150 E CB 0.075 29.760 29.700 -0.024 0.000 0.783 150 E HN -0.059 nan 8.360 nan 0.000 0.505 151 R N 0.610 121.076 120.500 -0.056 0.000 2.140 151 R HA 0.044 4.384 4.340 0.001 0.000 0.213 151 R C 1.881 178.180 176.300 -0.002 0.000 1.059 151 R CA 0.535 56.651 56.100 0.027 0.000 1.000 151 R CB -0.212 30.171 30.300 0.139 0.000 0.910 151 R HN 0.086 nan 8.270 nan 0.000 0.455 152 L N 0.438 121.596 121.223 -0.108 0.000 2.046 152 L HA -0.173 4.168 4.340 0.001 0.000 0.208 152 L C 2.346 179.164 176.870 -0.086 0.000 1.077 152 L CA 1.712 56.479 54.840 -0.122 0.000 0.747 152 L CB -0.259 41.655 42.059 -0.242 0.000 0.896 152 L HN 0.298 nan 8.230 nan 0.000 0.432 153 Q N -0.700 119.053 119.800 -0.079 0.000 2.079 153 Q HA -0.252 4.089 4.340 0.001 0.000 0.200 153 Q C 2.128 178.116 176.000 -0.019 0.000 0.974 153 Q CA 1.551 57.325 55.803 -0.050 0.000 0.840 153 Q CB -0.111 28.600 28.738 -0.045 0.000 0.898 153 Q HN 0.461 nan 8.270 nan 0.000 0.430 154 E N -0.151 120.052 120.200 0.004 0.000 2.086 154 E HA -0.230 4.121 4.350 0.001 0.000 0.200 154 E C 1.986 178.618 176.600 0.054 0.000 1.012 154 E CA 1.666 58.092 56.400 0.043 0.000 0.812 154 E CB 0.035 29.780 29.700 0.075 0.000 0.743 154 E HN 0.136 nan 8.360 nan 0.000 0.453 155 V N 1.395 121.325 119.914 0.027 0.000 2.270 155 V HA -0.245 3.876 4.120 0.001 0.000 0.245 155 V C 2.174 178.217 176.094 -0.085 0.000 1.043 155 V CA 1.766 64.033 62.300 -0.054 0.000 1.014 155 V CB -0.533 31.162 31.823 -0.213 0.000 0.645 155 V HN 0.258 nan 8.190 nan 0.000 0.447 156 E N 0.638 120.793 120.200 -0.074 0.000 2.065 156 E HA -0.313 4.038 4.350 0.001 0.000 0.201 156 E C 2.348 178.933 176.600 -0.024 0.000 1.016 156 E CA 1.883 58.249 56.400 -0.058 0.000 0.818 156 E CB -0.526 29.144 29.700 -0.049 0.000 0.749 156 E HN 0.594 nan 8.360 nan 0.000 0.453 157 A N 1.031 123.848 122.820 -0.005 0.000 1.933 157 A HA -0.220 4.101 4.320 0.001 0.000 0.218 157 A C 2.094 179.701 177.584 0.038 0.000 1.175 157 A CA 1.722 53.769 52.037 0.016 0.000 0.628 157 A CB -0.424 18.588 19.000 0.020 0.000 0.814 157 A HN 0.257 nan 8.150 nan 0.000 0.444 158 E N -0.406 119.831 120.200 0.062 0.000 2.046 158 E HA -0.105 4.246 4.350 0.001 0.000 0.190 158 E C 1.944 178.602 176.600 0.097 0.000 0.982 158 E CA 1.310 57.776 56.400 0.110 0.000 0.800 158 E CB -0.082 29.738 29.700 0.200 0.000 0.756 158 E HN 0.332 nan 8.360 nan 0.000 0.449 159 V N 1.248 121.198 119.914 0.060 0.000 2.343 159 V HA -0.273 3.848 4.120 0.001 0.000 0.247 159 V C 2.392 178.501 176.094 0.026 0.000 1.051 159 V CA 1.773 64.095 62.300 0.038 0.000 1.036 159 V CB -0.885 30.925 31.823 -0.022 0.000 0.654 159 V HN 0.393 nan 8.190 nan 0.000 0.451 160 A N -0.806 122.022 122.820 0.013 0.000 2.024 160 A HA -0.205 4.116 4.320 0.001 0.000 0.220 160 A C 2.450 180.046 177.584 0.021 0.000 1.164 160 A CA 2.385 54.429 52.037 0.011 0.000 0.643 160 A CB -0.426 18.576 19.000 0.003 0.000 0.806 160 A HN 0.505 nan 8.150 nan 0.000 0.451 161 S N -2.045 113.675 115.700 0.033 0.000 2.502 161 S HA 0.007 4.478 4.470 0.001 0.000 0.228 161 S C 1.836 176.462 174.600 0.043 0.000 1.061 161 S CA 1.261 59.482 58.200 0.036 0.000 0.935 161 S CB 0.152 63.377 63.200 0.041 0.000 0.809 161 S HN 0.867 nan 8.310 nan 0.000 0.510 162 T N -2.543 112.045 114.554 0.057 0.000 3.043 162 T HA 0.432 4.783 4.350 0.001 0.000 0.272 162 T C 1.380 176.114 174.700 0.057 0.000 0.990 162 T CA 0.898 63.036 62.100 0.064 0.000 0.897 162 T CB 0.560 69.485 68.868 0.095 0.000 1.111 162 T HN 0.457 nan 8.240 nan 0.000 0.529 163 G N 0.458 109.288 108.800 0.050 0.000 2.189 163 G HA2 -0.245 3.716 3.960 0.001 0.000 0.267 163 G HA3 -0.245 3.716 3.960 0.001 0.000 0.267 163 G C 0.231 175.163 174.900 0.054 0.000 0.975 163 G CA 0.817 45.941 45.100 0.041 0.000 0.644 163 G HN 1.046 nan 8.290 nan 0.000 0.537 164 T N -1.601 113.001 114.554 0.080 0.000 2.645 164 T HA 0.707 5.058 4.350 0.001 0.000 0.300 164 T C -1.347 173.476 174.700 0.204 0.000 1.210 164 T CA 0.436 62.601 62.100 0.108 0.000 1.034 164 T CB 1.513 70.371 68.868 -0.017 0.000 1.537 164 T HN 1.594 nan 8.240 nan 0.000 0.492 165 Y N -0.750 119.471 120.300 -0.132 0.000 2.725 165 Y HA 0.812 5.363 4.550 0.001 0.000 0.333 165 Y C -1.696 174.045 175.900 -0.264 0.000 1.242 165 Y CA -1.243 56.825 58.100 -0.053 0.000 1.059 165 Y CB 0.506 38.979 38.460 0.022 0.000 1.306 165 Y HN 0.797 nan 8.280 nan 0.000 0.454 166 H N 0.422 119.378 119.070 -0.190 0.000 2.679 166 H HA 0.750 5.307 4.556 0.002 0.000 0.367 166 H C -0.976 174.248 175.328 -0.173 0.000 1.162 166 H CA -0.822 55.080 56.048 -0.243 0.000 1.181 166 H CB 1.997 31.718 29.762 -0.068 0.000 1.693 166 H HN 0.734 nan 8.280 nan 0.000 0.538 167 L N 1.853 123.058 121.223 -0.031 0.000 2.360 167 L HA 0.514 4.855 4.340 0.001 0.000 0.271 167 L C 0.200 177.104 176.870 0.057 0.000 1.057 167 L CA -1.093 53.765 54.840 0.031 0.000 0.803 167 L CB 0.754 42.817 42.059 0.007 0.000 1.207 167 L HN 0.384 nan 8.230 nan 0.000 0.445 168 R N 1.007 121.531 120.500 0.039 0.000 2.457 168 R HA 0.115 4.456 4.340 0.001 0.000 0.284 168 R C 0.759 177.043 176.300 -0.027 0.000 1.024 168 R CA -0.429 55.675 56.100 0.006 0.000 1.025 168 R CB 1.064 31.358 30.300 -0.011 0.000 1.063 168 R HN 0.690 nan 8.270 nan 0.000 0.493 169 E N 1.364 121.549 120.200 -0.024 0.000 2.097 169 E HA -0.233 4.118 4.350 0.001 0.000 0.196 169 E C 1.130 177.711 176.600 -0.032 0.000 1.000 169 E CA 2.228 58.607 56.400 -0.035 0.000 0.804 169 E CB 0.205 29.888 29.700 -0.029 0.000 0.740 169 E HN 0.649 nan 8.360 nan 0.000 0.454 170 S N 0.059 115.744 115.700 -0.025 0.000 2.402 170 S HA -0.163 4.308 4.470 0.001 0.000 0.229 170 S C 1.762 176.386 174.600 0.041 0.000 1.021 170 S CA 1.150 59.364 58.200 0.024 0.000 0.974 170 S CB -0.279 62.959 63.200 0.063 0.000 0.800 170 S HN 0.349 nan 8.310 nan 0.000 0.484 171 E N 1.100 121.202 120.200 -0.163 0.000 2.077 171 E HA -0.081 4.270 4.350 0.001 0.000 0.193 171 E C 2.042 178.779 176.600 0.228 0.000 0.989 171 E CA 1.174 57.492 56.400 -0.135 0.000 0.800 171 E CB -0.366 29.215 29.700 -0.199 0.000 0.746 171 E HN 0.433 nan 8.360 nan 0.000 0.452 172 L N 0.864 122.120 121.223 0.055 0.000 2.012 172 L HA -0.176 4.165 4.340 0.001 0.000 0.210 172 L C 2.259 179.125 176.870 -0.008 0.000 1.073 172 L CA 1.372 56.183 54.840 -0.049 0.000 0.748 172 L CB -0.308 41.655 42.059 -0.160 0.000 0.891 172 L HN -0.049 nan 8.230 nan 0.000 0.431 173 V N -0.421 119.512 119.914 0.033 0.000 2.392 173 V HA -0.325 3.796 4.120 0.001 0.000 0.249 173 V C 2.269 178.473 176.094 0.182 0.000 1.059 173 V CA 2.158 64.494 62.300 0.059 0.000 1.051 173 V CB -0.911 30.939 31.823 0.045 0.000 0.658 173 V HN 0.577 nan 8.190 nan 0.000 0.455 174 F N 1.758 121.806 119.950 0.163 0.000 2.060 174 F HA 0.004 4.532 4.527 0.002 0.000 0.295 174 F C 2.277 178.230 175.800 0.256 0.000 1.120 174 F CA 1.789 59.944 58.000 0.258 0.000 1.205 174 F CB -1.089 38.156 39.000 0.408 0.000 0.986 174 F HN 0.138 nan 8.300 nan 0.000 0.470 175 G N 0.101 109.017 108.800 0.193 0.000 2.529 175 G HA2 -0.368 3.593 3.960 0.001 0.000 0.219 175 G HA3 -0.368 3.593 3.960 0.001 0.000 0.219 175 G C 1.832 176.620 174.900 -0.186 0.000 1.177 175 G CA 1.475 46.552 45.100 -0.040 0.000 0.773 175 G HN 0.700 nan 8.290 nan 0.000 0.573 176 A N 0.751 123.487 122.820 -0.139 0.000 1.873 176 A HA -0.108 4.213 4.320 0.001 0.000 0.218 176 A C 2.322 179.912 177.584 0.010 0.000 1.193 176 A CA 2.275 54.244 52.037 -0.113 0.000 0.629 176 A CB -0.510 18.453 19.000 -0.062 0.000 0.826 176 A HN 0.412 nan 8.150 nan 0.000 0.447 177 K N -1.292 119.156 120.400 0.080 0.000 2.063 177 K HA -0.221 4.100 4.320 0.001 0.000 0.208 177 K C 2.362 179.056 176.600 0.157 0.000 1.048 177 K CA 1.788 58.224 56.287 0.250 0.000 0.928 177 K CB -0.122 32.545 32.500 0.279 0.000 0.713 177 K HN 0.482 nan 8.250 nan 0.000 0.442 178 Q N 0.130 119.846 119.800 -0.141 0.000 2.245 178 Q HA 0.030 4.371 4.340 0.001 0.000 0.201 178 Q C 1.751 177.616 176.000 -0.224 0.000 0.955 178 Q CA 1.268 56.888 55.803 -0.305 0.000 0.870 178 Q CB 0.005 28.410 28.738 -0.555 0.000 0.945 178 Q HN 0.329 nan 8.270 nan 0.000 0.461 179 A N -0.756 121.923 122.820 -0.235 0.000 1.969 179 A HA -0.160 4.161 4.320 0.001 0.000 0.218 179 A C 1.740 179.295 177.584 -0.049 0.000 1.169 179 A CA 1.267 53.081 52.037 -0.373 0.000 0.635 179 A CB -0.961 17.462 19.000 -0.961 0.000 0.810 179 A HN 0.667 nan 8.150 nan 0.000 0.445 180 W N 0.879 122.159 121.300 -0.034 0.000 2.408 180 W HA -0.082 4.579 4.660 0.001 0.000 0.311 180 W C 2.315 178.825 176.519 -0.015 0.000 1.190 180 W CA 1.333 58.737 57.345 0.098 0.000 1.321 180 W CB -0.761 28.767 29.460 0.114 0.000 1.143 180 W HN 0.345 nan 8.180 nan 0.000 0.501 181 R N 0.315 120.759 120.500 -0.094 0.000 2.140 181 R HA -0.243 4.098 4.340 0.001 0.000 0.250 181 R C 1.630 177.779 176.300 -0.252 0.000 1.150 181 R CA 2.104 57.926 56.100 -0.463 0.000 0.966 181 R CB -0.640 29.087 30.300 -0.955 0.000 0.869 181 R HN 0.158 nan 8.270 nan 0.000 0.445 182 N N 0.138 118.744 118.700 -0.156 0.000 2.463 182 N HA -0.000 4.741 4.740 0.001 0.000 0.181 182 N C -0.208 175.279 175.510 -0.038 0.000 1.078 182 N CA 0.731 53.716 53.050 -0.109 0.000 0.902 182 N CB 0.200 38.622 38.487 -0.109 0.000 0.970 182 N HN 0.184 nan 8.380 nan 0.000 0.451 183 A N 2.377 125.234 122.820 0.063 0.000 2.535 183 A HA 0.185 4.506 4.320 0.001 0.000 0.290 183 A C -1.217 176.392 177.584 0.042 0.000 1.270 183 A CA -0.874 51.224 52.037 0.102 0.000 0.937 183 A CB 0.209 19.348 19.000 0.231 0.000 1.096 183 A HN 0.033 nan 8.150 nan 0.000 0.534 184 P HA -0.095 nan 4.420 nan 0.000 0.223 184 P C 0.960 178.240 177.300 -0.034 0.000 1.151 184 P CA 0.995 64.068 63.100 -0.045 0.000 0.787 184 P CB 0.156 31.786 31.700 -0.116 0.000 0.788 185 R N -1.587 118.867 120.500 -0.077 0.000 2.335 185 R HA 0.149 4.490 4.340 0.001 0.000 0.223 185 R C 0.094 176.442 176.300 0.079 0.000 0.940 185 R CA -0.125 55.946 56.100 -0.047 0.000 1.086 185 R CB -0.564 29.514 30.300 -0.370 0.000 1.073 185 R HN 0.178 nan 8.270 nan 0.000 0.504 186 C N 0.268 119.600 119.300 0.052 0.000 2.264 186 C HA 0.253 4.714 4.460 0.001 0.000 0.324 186 C C 1.792 176.765 174.990 -0.028 0.000 1.267 186 C CA -0.721 58.351 59.018 0.091 0.000 1.618 186 C CB 0.742 28.619 27.740 0.229 0.000 2.278 186 C HN 0.287 nan 8.230 nan 0.000 0.499 187 V N 5.862 125.711 119.914 -0.108 0.000 3.306 187 V HA 0.179 4.300 4.120 0.001 0.000 0.264 187 V C 1.890 178.015 176.094 0.053 0.000 1.149 187 V CA 2.258 64.382 62.300 -0.293 0.000 1.143 187 V CB -0.092 31.576 31.823 -0.259 0.000 0.767 187 V HN 1.081 nan 8.190 nan 0.000 0.476 188 G N -0.621 108.249 108.800 0.116 0.000 3.088 188 G HA2 -0.025 3.936 3.960 0.001 0.000 0.212 188 G HA3 -0.025 3.936 3.960 0.001 0.000 0.212 188 G C 1.345 176.262 174.900 0.028 0.000 1.173 188 G CA -0.220 44.961 45.100 0.135 0.000 0.779 188 G HN 0.466 nan 8.290 nan 0.000 0.540 189 R N -0.342 120.090 120.500 -0.115 0.000 2.293 189 R HA -0.015 4.326 4.340 0.001 0.000 0.219 189 R C 2.097 177.925 176.300 -0.788 0.000 1.091 189 R CA 0.315 56.033 56.100 -0.637 0.000 1.004 189 R CB -0.280 29.660 30.300 -0.601 0.000 0.865 189 R HN 0.400 nan 8.270 nan 0.000 0.469 190 I N 1.280 121.550 120.570 -0.500 0.000 2.381 190 I HA -0.308 3.863 4.170 0.001 0.000 0.255 190 I C 1.750 177.771 176.117 -0.159 0.000 1.140 190 I CA 1.672 62.885 61.300 -0.145 0.000 1.404 190 I CB 0.021 38.038 38.000 0.029 0.000 1.075 190 I HN 0.124 nan 8.210 nan 0.000 0.433 191 Q N -0.144 119.483 119.800 -0.289 0.000 2.425 191 Q HA -0.086 4.254 4.340 0.001 0.000 0.204 191 Q C 1.752 177.375 176.000 -0.629 0.000 0.933 191 Q CA 0.672 56.301 55.803 -0.289 0.000 0.939 191 Q CB -0.372 28.331 28.738 -0.058 0.000 1.044 191 Q HN 0.844 nan 8.270 nan 0.000 0.513 192 W N -0.227 120.464 121.300 -1.016 0.000 2.341 192 W HA -0.115 4.546 4.660 0.002 0.000 0.283 192 W C 1.206 177.498 176.519 -0.378 0.000 1.215 192 W CA 1.136 57.761 57.345 -1.201 0.000 1.211 192 W CB -1.247 27.672 29.460 -0.902 0.000 1.131 192 W HN 0.075 nan 8.180 nan 0.000 0.552 193 G N 1.169 109.335 108.800 -1.057 0.000 2.484 193 G HA2 -0.188 3.773 3.960 0.001 0.000 0.218 193 G HA3 -0.188 3.773 3.960 0.001 0.000 0.218 193 G C 0.780 175.505 174.900 -0.291 0.000 1.130 193 G CA 0.080 44.666 45.100 -0.857 0.000 0.784 193 G HN 0.219 nan 8.290 nan 0.000 0.543 194 K N 0.189 120.508 120.400 -0.134 0.000 2.296 194 K HA 0.523 4.844 4.320 0.001 0.000 0.257 194 K C -1.572 175.147 176.600 0.198 0.000 1.088 194 K CA -0.567 55.740 56.287 0.034 0.000 0.980 194 K CB 0.334 32.876 32.500 0.071 0.000 1.430 194 K HN 0.065 nan 8.250 nan 0.000 0.441 195 L N 3.407 124.718 121.223 0.146 0.000 2.528 195 L HA 0.313 4.654 4.340 0.001 0.000 0.267 195 L C -1.304 175.568 176.870 0.003 0.000 0.961 195 L CA -0.454 54.479 54.840 0.156 0.000 0.866 195 L CB 1.786 44.003 42.059 0.262 0.000 1.248 195 L HN 0.468 nan 8.230 nan 0.000 0.404 196 Q N 2.880 122.646 119.800 -0.056 0.000 2.313 196 Q HA 0.546 4.887 4.340 0.001 0.000 0.266 196 Q C -1.497 174.197 176.000 -0.511 0.000 0.989 196 Q CA 0.198 55.797 55.803 -0.339 0.000 0.890 196 Q CB 1.209 29.682 28.738 -0.443 0.000 1.200 196 Q HN 0.521 nan 8.270 nan 0.000 0.396 197 V N 6.271 125.788 119.914 -0.662 0.000 2.376 197 V HA 0.415 4.536 4.120 0.001 0.000 0.287 197 V C -1.019 174.661 176.094 -0.691 0.000 1.015 197 V CA -0.608 61.393 62.300 -0.499 0.000 0.834 197 V CB 0.674 32.345 31.823 -0.254 0.000 1.001 197 V HN 0.654 nan 8.190 nan 0.000 0.428 198 F N 2.517 122.352 119.950 -0.193 0.000 2.405 198 F HA 0.415 4.943 4.527 0.001 0.000 0.355 198 F C 0.555 176.205 175.800 -0.249 0.000 1.121 198 F CA -0.730 57.155 58.000 -0.193 0.000 1.112 198 F CB 0.989 39.894 39.000 -0.160 0.000 1.126 198 F HN 0.388 nan 8.300 nan 0.000 0.481 199 D N 2.923 123.282 120.400 -0.069 0.000 2.325 199 D HA 0.388 5.029 4.640 0.001 0.000 0.251 199 D C 0.081 176.221 176.300 -0.266 0.000 1.196 199 D CA 0.169 54.071 54.000 -0.163 0.000 0.866 199 D CB 1.300 42.041 40.800 -0.100 0.000 1.101 199 D HN 0.653 nan 8.370 nan 0.000 0.476 200 A N 4.616 127.112 122.820 -0.541 0.000 2.606 200 A HA 0.150 4.471 4.320 0.001 0.000 0.290 200 A C 1.594 178.869 177.584 -0.514 0.000 1.174 200 A CA -0.373 51.075 52.037 -0.982 0.000 0.958 200 A CB 0.113 18.005 19.000 -1.847 0.000 1.194 200 A HN 0.554 nan 8.150 nan 0.000 0.526 201 R N 0.997 121.336 120.500 -0.270 0.000 2.237 201 R HA -0.078 4.263 4.340 0.001 0.000 0.219 201 R C 0.275 176.529 176.300 -0.077 0.000 1.080 201 R CA 1.194 57.219 56.100 -0.125 0.000 0.995 201 R CB -0.007 30.278 30.300 -0.025 0.000 0.875 201 R HN 0.656 nan 8.270 nan 0.000 0.462 202 D N -0.139 120.230 120.400 -0.053 0.000 2.881 202 D HA -0.025 4.616 4.640 0.001 0.000 0.240 202 D C -0.523 175.831 176.300 0.089 0.000 1.249 202 D CA -0.258 53.760 54.000 0.031 0.000 0.839 202 D CB -0.499 40.339 40.800 0.063 0.000 1.042 202 D HN -0.035 nan 8.370 nan 0.000 0.475 203 C N 0.975 120.289 119.300 0.024 0.000 2.330 203 C HA 0.522 4.983 4.460 0.001 0.000 0.344 203 C C 1.425 176.523 174.990 0.180 0.000 1.273 203 C CA -0.036 59.055 59.018 0.120 0.000 1.879 203 C CB 0.508 28.280 27.740 0.053 0.000 2.376 203 C HN 0.541 nan 8.230 nan 0.000 0.534 204 S N 2.187 118.054 115.700 0.278 0.000 2.733 204 S HA 0.296 4.766 4.470 0.001 0.000 0.247 204 S C -0.018 174.755 174.600 0.289 0.000 1.043 204 S CA 0.234 58.635 58.200 0.334 0.000 1.066 204 S CB -0.107 63.217 63.200 0.206 0.000 1.045 204 S HN 1.132 nan 8.310 nan 0.000 0.586 205 S N -0.444 115.426 115.700 0.282 0.000 2.570 205 S HA 0.817 5.288 4.470 0.001 0.000 0.270 205 S C 0.917 175.611 174.600 0.157 0.000 1.149 205 S CA -0.310 57.998 58.200 0.181 0.000 0.837 205 S CB 1.014 64.293 63.200 0.131 0.000 1.124 205 S HN 0.564 nan 8.310 nan 0.000 0.465 206 A N 1.269 124.144 122.820 0.092 0.000 1.883 206 A HA -0.116 4.205 4.320 0.001 0.000 0.217 206 A C 2.162 179.691 177.584 -0.092 0.000 1.186 206 A CA 2.031 54.083 52.037 0.025 0.000 0.624 206 A CB -1.215 17.869 19.000 0.140 0.000 0.822 206 A HN 0.790 nan 8.150 nan 0.000 0.444 207 Q N 0.057 119.899 119.800 0.070 0.000 2.082 207 Q HA -0.259 4.082 4.340 0.001 0.000 0.211 207 Q C 1.875 177.884 176.000 0.015 0.000 1.002 207 Q CA 2.552 58.392 55.803 0.060 0.000 0.868 207 Q CB -0.528 28.303 28.738 0.156 0.000 0.931 207 Q HN 0.826 nan 8.270 nan 0.000 0.414 208 E N -0.856 119.395 120.200 0.086 0.000 2.072 208 E HA -0.126 4.225 4.350 0.001 0.000 0.191 208 E C 2.199 178.943 176.600 0.239 0.000 0.985 208 E CA 0.991 57.478 56.400 0.145 0.000 0.801 208 E CB -0.149 29.692 29.700 0.235 0.000 0.750 208 E HN 0.365 nan 8.360 nan 0.000 0.452 209 M N 0.129 119.824 119.600 0.158 0.000 2.082 209 M HA -0.208 4.273 4.480 0.001 0.000 0.258 209 M C 2.246 178.613 176.300 0.113 0.000 1.069 209 M CA 1.463 56.798 55.300 0.057 0.000 1.102 209 M CB -0.443 31.929 32.600 -0.380 0.000 1.336 209 M HN 0.135 nan 8.290 nan 0.000 0.404 210 F N 1.383 121.143 119.950 -0.315 0.000 2.065 210 F HA -0.245 4.282 4.527 0.001 0.000 0.298 210 F C 2.379 178.079 175.800 -0.167 0.000 1.112 210 F CA 2.136 59.897 58.000 -0.399 0.000 1.212 210 F CB -1.036 37.412 39.000 -0.921 0.000 0.975 210 F HN 0.078 nan 8.300 nan 0.000 0.476 211 T N -0.143 114.240 114.554 -0.284 0.000 2.624 211 T HA -0.302 4.049 4.350 0.001 0.000 0.268 211 T C 1.764 176.299 174.700 -0.276 0.000 1.041 211 T CA 2.268 64.158 62.100 -0.351 0.000 1.159 211 T CB -0.899 67.807 68.868 -0.270 0.000 0.863 211 T HN 0.338 nan 8.240 nan 0.000 0.434 212 Y N 0.859 121.122 120.300 -0.061 0.000 2.181 212 Y HA -0.018 4.533 4.550 0.001 0.000 0.288 212 Y C 2.317 178.186 175.900 -0.051 0.000 1.146 212 Y CA 0.665 58.738 58.100 -0.044 0.000 1.164 212 Y CB -0.517 37.989 38.460 0.076 0.000 0.982 212 Y HN 0.213 nan 8.280 nan 0.000 0.515 213 I N -1.633 119.055 120.570 0.197 0.000 2.286 213 I HA -0.361 3.810 4.170 0.001 0.000 0.248 213 I C 2.175 178.253 176.117 -0.065 0.000 1.115 213 I CA 1.000 62.349 61.300 0.082 0.000 1.392 213 I CB -0.469 37.577 38.000 0.078 0.000 1.065 213 I HN 0.317 nan 8.210 nan 0.000 0.418 214 C N 0.636 119.793 119.300 -0.240 0.000 2.457 214 C HA -0.099 4.362 4.460 0.001 0.000 0.278 214 C C 2.479 177.363 174.990 -0.177 0.000 1.309 214 C CA 0.977 59.825 59.018 -0.285 0.000 1.735 214 C CB -1.508 25.923 27.740 -0.514 0.000 1.992 214 C HN 0.548 nan 8.230 nan 0.000 0.493 215 N N -0.263 118.317 118.700 -0.200 0.000 2.142 215 N HA -0.163 4.578 4.740 0.001 0.000 0.186 215 N C 1.522 176.913 175.510 -0.199 0.000 1.023 215 N CA 1.309 54.229 53.050 -0.216 0.000 0.852 215 N CB -0.390 37.912 38.487 -0.310 0.000 0.998 215 N HN 0.675 nan 8.380 nan 0.000 0.424 216 H N 0.720 119.606 119.070 -0.306 0.000 2.265 216 H HA -0.135 4.422 4.556 0.001 0.000 0.293 216 H C 1.918 177.240 175.328 -0.010 0.000 1.089 216 H CA 2.005 57.943 56.048 -0.183 0.000 1.244 216 H CB -0.120 29.589 29.762 -0.088 0.000 1.355 216 H HN 0.135 nan 8.280 nan 0.000 0.485 217 I N 0.385 121.077 120.570 0.204 0.000 2.163 217 I HA -0.300 3.871 4.170 0.001 0.000 0.243 217 I C 2.705 178.875 176.117 0.089 0.000 1.085 217 I CA 1.689 63.076 61.300 0.145 0.000 1.347 217 I CB -0.323 37.704 38.000 0.044 0.000 1.044 217 I HN 0.316 nan 8.210 nan 0.000 0.408 218 K N 0.164 120.585 120.400 0.036 0.000 2.026 218 K HA -0.267 4.054 4.320 0.001 0.000 0.208 218 K C 2.372 178.996 176.600 0.040 0.000 1.048 218 K CA 1.785 58.082 56.287 0.017 0.000 0.929 218 K CB -0.302 32.188 32.500 -0.016 0.000 0.713 218 K HN 0.251 nan 8.250 nan 0.000 0.439 219 Y N 0.449 120.726 120.300 -0.038 0.000 2.145 219 Y HA -0.195 4.356 4.550 0.001 0.000 0.286 219 Y C 1.914 177.845 175.900 0.052 0.000 1.145 219 Y CA 1.804 59.910 58.100 0.011 0.000 1.148 219 Y CB -0.262 38.221 38.460 0.040 0.000 0.981 219 Y HN 0.141 nan 8.280 nan 0.000 0.507 220 A N -1.149 121.753 122.820 0.138 0.000 1.970 220 A HA -0.054 4.267 4.320 0.001 0.000 0.216 220 A C 2.124 179.744 177.584 0.060 0.000 1.170 220 A CA 1.724 53.838 52.037 0.128 0.000 0.645 220 A CB -1.017 18.117 19.000 0.223 0.000 0.816 220 A HN 0.495 nan 8.150 nan 0.000 0.447 221 T N -0.272 114.312 114.554 0.050 0.000 2.770 221 T HA -0.074 4.277 4.350 0.001 0.000 0.263 221 T C 1.008 175.701 174.700 -0.011 0.000 1.039 221 T CA 0.863 62.990 62.100 0.046 0.000 1.142 221 T CB -0.476 68.423 68.868 0.051 0.000 0.868 221 T HN 0.711 nan 8.240 nan 0.000 0.435 222 N N 0.771 119.433 118.700 -0.064 0.000 2.725 222 N HA -0.267 4.474 4.740 0.001 0.000 0.251 222 N C -0.629 174.849 175.510 -0.053 0.000 1.031 222 N CA 0.166 53.160 53.050 -0.094 0.000 0.720 222 N CB -0.464 37.928 38.487 -0.158 0.000 0.930 222 N HN 0.281 nan 8.380 nan 0.000 0.543 223 R N -1.737 118.743 120.500 -0.032 0.000 3.722 223 R HA -0.258 4.083 4.340 0.001 0.000 0.284 223 R C 1.332 177.616 176.300 -0.026 0.000 1.165 223 R CA 1.663 57.748 56.100 -0.026 0.000 0.779 223 R CB -1.815 28.468 30.300 -0.029 0.000 1.179 223 R HN 0.875 nan 8.270 nan 0.000 0.491 224 G N -1.052 107.739 108.800 -0.015 0.000 2.278 224 G HA2 -0.329 3.632 3.960 0.001 0.000 0.210 224 G HA3 -0.329 3.632 3.960 0.001 0.000 0.210 224 G C 0.006 174.894 174.900 -0.019 0.000 1.000 224 G CA -0.027 45.067 45.100 -0.010 0.000 0.635 224 G HN 0.491 nan 8.290 nan 0.000 0.495 225 N N 1.411 120.086 118.700 -0.041 0.000 2.739 225 N HA 0.408 5.149 4.740 0.001 0.000 0.266 225 N C 0.078 175.563 175.510 -0.042 0.000 1.168 225 N CA -0.619 52.392 53.050 -0.065 0.000 1.055 225 N CB -0.087 38.357 38.487 -0.071 0.000 1.393 225 N HN 0.133 nan 8.380 nan 0.000 0.514 226 L N 2.541 123.763 121.223 -0.001 0.000 2.456 226 L HA 0.191 4.532 4.340 0.001 0.000 0.272 226 L C 0.669 177.674 176.870 0.226 0.000 1.189 226 L CA 0.768 55.687 54.840 0.132 0.000 0.846 226 L CB 0.509 42.735 42.059 0.278 0.000 1.111 226 L HN 0.406 nan 8.230 nan 0.000 0.475 227 R N 1.026 121.670 120.500 0.240 0.000 2.575 227 R HA 0.462 4.803 4.340 0.001 0.000 0.293 227 R C -0.800 175.687 176.300 0.312 0.000 0.983 227 R CA -0.661 55.606 56.100 0.279 0.000 0.887 227 R CB 1.822 32.166 30.300 0.072 0.000 1.184 227 R HN 0.607 nan 8.270 nan 0.000 0.445 228 S N 1.521 117.400 115.700 0.299 0.000 2.531 228 S HA 0.478 4.949 4.470 0.001 0.000 0.279 228 S C -0.281 174.399 174.600 0.133 0.000 1.305 228 S CA -0.500 57.776 58.200 0.127 0.000 1.058 228 S CB 1.367 64.564 63.200 -0.004 0.000 0.899 228 S HN 0.668 nan 8.310 nan 0.000 0.493 229 A N 2.971 125.839 122.820 0.079 0.000 2.454 229 A HA 0.841 5.162 4.320 0.001 0.000 0.302 229 A C -0.889 176.753 177.584 0.097 0.000 1.079 229 A CA -0.725 51.310 52.037 -0.002 0.000 0.731 229 A CB 1.096 19.998 19.000 -0.164 0.000 1.299 229 A HN 0.814 nan 8.150 nan 0.000 0.413 230 I N 0.347 120.976 120.570 0.100 0.000 2.740 230 I HA 0.661 4.832 4.170 0.001 0.000 0.303 230 I C -0.803 175.473 176.117 0.264 0.000 1.044 230 I CA -0.234 61.223 61.300 0.262 0.000 1.064 230 I CB 2.462 40.562 38.000 0.167 0.000 1.249 230 I HN 0.618 nan 8.210 nan 0.000 0.433 231 T N 5.572 120.284 114.554 0.262 0.000 2.841 231 T HA 0.429 4.780 4.350 0.001 0.000 0.285 231 T C -0.928 173.628 174.700 -0.241 0.000 0.991 231 T CA -0.371 61.734 62.100 0.008 0.000 0.966 231 T CB 1.647 70.490 68.868 -0.040 0.000 0.962 231 T HN 0.222 nan 8.240 nan 0.000 0.438 232 V N 4.844 124.531 119.914 -0.378 0.000 2.313 232 V HA 0.460 4.581 4.120 0.001 0.000 0.278 232 V C -0.416 175.410 176.094 -0.447 0.000 1.017 232 V CA -0.774 61.320 62.300 -0.343 0.000 0.823 232 V CB -0.144 31.431 31.823 -0.413 0.000 1.010 232 V HN 0.728 nan 8.190 nan 0.000 0.443 233 F N 5.519 125.400 119.950 -0.116 0.000 2.368 233 F HA 0.471 4.999 4.527 0.001 0.000 0.308 233 F C -1.726 173.988 175.800 -0.143 0.000 1.198 233 F CA -2.198 55.659 58.000 -0.239 0.000 1.130 233 F CB 0.142 38.996 39.000 -0.242 0.000 1.300 233 F HN 0.288 nan 8.300 nan 0.000 0.537 234 P HA 0.024 nan 4.420 nan 0.000 0.267 234 P C -1.050 176.274 177.300 0.040 0.000 1.200 234 P CA -0.307 62.727 63.100 -0.110 0.000 0.772 234 P CB 0.251 31.724 31.700 -0.379 0.000 0.855 235 Q N 3.236 123.005 119.800 -0.052 0.000 2.492 235 Q HA 0.159 4.500 4.340 0.001 0.000 0.238 235 Q C -0.076 175.812 176.000 -0.186 0.000 1.045 235 Q CA -0.342 55.171 55.803 -0.483 0.000 0.934 235 Q CB 0.532 28.717 28.738 -0.922 0.000 1.276 235 Q HN 0.335 nan 8.270 nan 0.000 0.521 236 R N -0.122 120.241 120.500 -0.228 0.000 2.827 236 R HA 0.443 4.784 4.340 0.001 0.000 0.269 236 R C -0.628 175.613 176.300 -0.098 0.000 1.048 236 R CA 0.409 56.453 56.100 -0.095 0.000 1.173 236 R CB 0.302 30.543 30.300 -0.099 0.000 1.070 236 R HN 0.771 nan 8.270 nan 0.000 0.498 237 A N 2.050 124.849 122.820 -0.037 0.000 2.491 237 A HA 0.368 4.689 4.320 0.001 0.000 0.293 237 A C -2.558 175.021 177.584 -0.008 0.000 1.047 237 A CA -1.581 50.443 52.037 -0.021 0.000 0.735 237 A CB 1.267 20.279 19.000 0.021 0.000 1.281 237 A HN 0.393 nan 8.150 nan 0.000 0.398 238 P HA 0.115 nan 4.420 nan 0.000 0.255 238 P C 1.022 178.324 177.300 0.004 0.000 1.141 238 P CA 2.333 65.432 63.100 -0.003 0.000 0.767 238 P CB 0.054 31.756 31.700 0.003 0.000 0.726 239 G N 2.468 111.269 108.800 0.002 0.000 2.371 239 G HA2 -0.174 3.787 3.960 0.001 0.000 0.299 239 G HA3 -0.174 3.787 3.960 0.001 0.000 0.299 239 G C -0.042 174.861 174.900 0.005 0.000 1.014 239 G CA 0.441 45.543 45.100 0.004 0.000 1.097 239 G HN 0.944 nan 8.290 nan 0.000 0.512 240 R N -1.368 119.134 120.500 0.002 0.000 2.644 240 R HA 0.633 4.974 4.340 0.001 0.000 0.257 240 R C 0.414 176.708 176.300 -0.009 0.000 1.082 240 R CA -0.106 55.993 56.100 -0.003 0.000 0.927 240 R CB 0.168 30.470 30.300 0.003 0.000 1.258 240 R HN 1.125 nan 8.270 nan 0.000 0.459 241 G N 1.407 110.192 108.800 -0.025 0.000 2.630 241 G HA2 0.180 4.141 3.960 0.001 0.000 0.236 241 G HA3 0.180 4.141 3.960 0.001 0.000 0.236 241 G C -0.796 174.083 174.900 -0.035 0.000 1.248 241 G CA -0.256 44.827 45.100 -0.027 0.000 0.844 241 G HN 0.676 nan 8.290 nan 0.000 0.588 242 D N -0.192 120.207 120.400 -0.001 0.000 2.304 242 D HA 0.235 4.876 4.640 0.001 0.000 0.247 242 D C 0.163 176.473 176.300 0.017 0.000 1.089 242 D CA 0.052 54.081 54.000 0.048 0.000 0.910 242 D CB 0.864 41.705 40.800 0.068 0.000 1.199 242 D HN 0.132 nan 8.370 nan 0.000 0.426 243 F N 1.756 121.725 119.950 0.032 0.000 2.538 243 F HA 0.136 4.664 4.527 0.001 0.000 0.371 243 F C 1.329 177.150 175.800 0.034 0.000 1.087 243 F CA 0.433 58.441 58.000 0.013 0.000 1.250 243 F CB 0.441 39.446 39.000 0.009 0.000 1.110 243 F HN -0.157 nan 8.300 nan 0.000 0.570 244 R N 3.694 124.310 120.500 0.194 0.000 2.698 244 R HA 0.528 4.869 4.340 0.001 0.000 0.275 244 R C -1.244 175.170 176.300 0.191 0.000 1.001 244 R CA -0.945 55.277 56.100 0.203 0.000 0.896 244 R CB 2.224 32.682 30.300 0.265 0.000 1.218 244 R HN 0.591 nan 8.270 nan 0.000 0.462 245 I N 1.719 122.392 120.570 0.171 0.000 2.330 245 I HA 0.166 4.337 4.170 0.001 0.000 0.289 245 I C 0.539 176.830 176.117 0.290 0.000 1.001 245 I CA -0.460 60.938 61.300 0.163 0.000 1.193 245 I CB 1.177 39.216 38.000 0.065 0.000 1.345 245 I HN 0.519 nan 8.210 nan 0.000 0.461 246 W N 3.536 124.854 121.300 0.031 0.000 2.363 246 W HA -0.103 4.558 4.660 0.002 0.000 0.296 246 W C 0.992 177.585 176.519 0.123 0.000 1.212 246 W CA 0.236 57.659 57.345 0.129 0.000 1.260 246 W CB -0.835 28.675 29.460 0.083 0.000 1.131 246 W HN 0.412 nan 8.180 nan 0.000 0.530 247 N N 0.078 118.922 118.700 0.239 0.000 2.458 247 N HA -0.007 4.734 4.740 0.001 0.000 0.258 247 N C 1.390 176.945 175.510 0.075 0.000 1.219 247 N CA 0.872 53.991 53.050 0.114 0.000 0.902 247 N CB 0.887 39.383 38.487 0.016 0.000 1.076 247 N HN -0.063 nan 8.380 nan 0.000 0.455 248 S N 1.746 117.488 115.700 0.071 0.000 2.395 248 S HA -0.036 4.435 4.470 0.001 0.000 0.225 248 S C 0.390 174.980 174.600 -0.018 0.000 1.027 248 S CA 0.659 58.887 58.200 0.046 0.000 0.965 248 S CB 0.117 63.378 63.200 0.101 0.000 0.812 248 S HN 0.643 nan 8.310 nan 0.000 0.482 249 Q N -0.578 119.201 119.800 -0.035 0.000 2.416 249 Q HA 0.553 4.894 4.340 0.001 0.000 0.279 249 Q C 0.465 176.376 176.000 -0.148 0.000 1.101 249 Q CA -0.602 55.138 55.803 -0.105 0.000 0.830 249 Q CB 1.809 30.510 28.738 -0.061 0.000 1.402 249 Q HN 0.150 nan 8.270 nan 0.000 0.445 250 L N -0.029 121.080 121.223 -0.190 0.000 2.156 250 L HA 0.055 4.396 4.340 0.001 0.000 0.208 250 L C 0.243 176.962 176.870 -0.250 0.000 1.095 250 L CA 0.647 55.377 54.840 -0.184 0.000 0.770 250 L CB 0.252 42.202 42.059 -0.182 0.000 0.914 250 L HN 0.267 nan 8.230 nan 0.000 0.439 251 V N 0.865 120.539 119.914 -0.400 0.000 2.444 251 V HA 0.501 4.622 4.120 0.001 0.000 0.294 251 V C -0.278 175.227 176.094 -0.982 0.000 1.022 251 V CA -0.665 61.224 62.300 -0.686 0.000 0.850 251 V CB 1.698 32.992 31.823 -0.882 0.000 0.992 251 V HN 0.181 nan 8.190 nan 0.000 0.426 252 R N 2.878 122.935 120.500 -0.738 0.000 2.604 252 R HA 0.456 4.797 4.340 0.001 0.000 0.270 252 R C -1.955 174.138 176.300 -0.345 0.000 1.052 252 R CA -0.787 55.020 56.100 -0.488 0.000 0.902 252 R CB 2.468 32.650 30.300 -0.197 0.000 1.233 252 R HN 0.582 nan 8.270 nan 0.000 0.455 253 Y N 0.517 120.809 120.300 -0.013 0.000 2.308 253 Y HA 0.433 4.984 4.550 0.001 0.000 0.329 253 Y C 0.968 176.844 175.900 -0.041 0.000 1.111 253 Y CA -0.668 57.447 58.100 0.026 0.000 1.179 253 Y CB 1.214 39.769 38.460 0.159 0.000 1.201 253 Y HN 0.689 nan 8.280 nan 0.000 0.483 254 A N 1.844 124.701 122.820 0.062 0.000 2.507 254 A HA 0.486 4.807 4.320 0.001 0.000 0.235 254 A C 0.697 178.057 177.584 -0.374 0.000 1.070 254 A CA 0.336 52.242 52.037 -0.218 0.000 0.768 254 A CB -0.273 18.496 19.000 -0.386 0.000 1.011 254 A HN 0.960 nan 8.150 nan 0.000 0.502 255 G N 0.646 109.224 108.800 -0.369 0.000 2.588 255 G HA2 0.533 4.494 3.960 0.001 0.000 0.312 255 G HA3 0.533 4.494 3.960 0.001 0.000 0.312 255 G C -1.139 173.614 174.900 -0.244 0.000 1.257 255 G CA -0.238 44.694 45.100 -0.281 0.000 0.994 255 G HN 0.490 nan 8.290 nan 0.000 0.498 256 Y N 1.416 121.728 120.300 0.021 0.000 2.385 256 Y HA 0.385 4.936 4.550 0.001 0.000 0.341 256 Y C 1.016 176.919 175.900 0.004 0.000 0.965 256 Y CA -1.156 56.957 58.100 0.022 0.000 1.180 256 Y CB 1.296 39.763 38.460 0.011 0.000 1.139 256 Y HN 0.441 nan 8.280 nan 0.000 0.502 257 R N 3.871 124.464 120.500 0.155 0.000 2.357 257 R HA 0.082 4.423 4.340 0.001 0.000 0.330 257 R C -0.187 176.157 176.300 0.073 0.000 1.102 257 R CA -0.259 55.893 56.100 0.087 0.000 0.974 257 R CB 0.183 30.524 30.300 0.068 0.000 1.002 257 R HN 0.635 nan 8.270 nan 0.000 0.463 258 Q N 2.173 122.008 119.800 0.058 0.000 2.417 258 Q HA -0.045 4.296 4.340 0.001 0.000 0.241 258 Q C 0.844 176.857 176.000 0.021 0.000 1.008 258 Q CA -0.100 55.724 55.803 0.035 0.000 0.901 258 Q CB 0.921 29.675 28.738 0.027 0.000 1.259 258 Q HN 0.531 nan 8.270 nan 0.000 0.489 259 Q N 1.412 121.218 119.800 0.009 0.000 2.012 259 Q HA -0.207 4.134 4.340 0.001 0.000 0.211 259 Q C 1.037 177.041 176.000 0.008 0.000 1.009 259 Q CA 2.311 58.117 55.803 0.005 0.000 0.866 259 Q CB -0.222 28.515 28.738 -0.003 0.000 0.945 259 Q HN 0.688 nan 8.270 nan 0.000 0.414 260 D N -1.632 118.772 120.400 0.006 0.000 2.417 260 D HA -0.140 4.501 4.640 0.001 0.000 0.225 260 D C 1.004 177.311 176.300 0.011 0.000 0.983 260 D CA 1.003 55.008 54.000 0.007 0.000 0.949 260 D CB -0.276 40.528 40.800 0.005 0.000 0.879 260 D HN 0.526 nan 8.370 nan 0.000 0.520 261 G N 0.887 109.696 108.800 0.015 0.000 2.212 261 G HA2 -0.351 3.610 3.960 0.001 0.000 0.266 261 G HA3 -0.351 3.610 3.960 0.001 0.000 0.266 261 G C 0.590 175.502 174.900 0.020 0.000 0.978 261 G CA 0.639 45.750 45.100 0.018 0.000 0.632 261 G HN 0.648 nan 8.290 nan 0.000 0.537 262 S N -1.074 114.637 115.700 0.018 0.000 2.617 262 S HA 0.668 5.139 4.470 0.001 0.000 0.259 262 S C 0.059 174.669 174.600 0.017 0.000 1.301 262 S CA -0.021 58.188 58.200 0.016 0.000 0.984 262 S CB 2.282 65.490 63.200 0.013 0.000 0.954 262 S HN 1.092 nan 8.310 nan 0.000 0.572 263 V N 1.564 121.481 119.914 0.005 0.000 2.407 263 V HA 0.490 4.611 4.120 0.001 0.000 0.291 263 V C 0.094 176.172 176.094 -0.026 0.000 1.018 263 V CA -0.845 61.452 62.300 -0.004 0.000 0.842 263 V CB 1.064 32.872 31.823 -0.025 0.000 0.996 263 V HN 0.942 nan 8.190 nan 0.000 0.426 264 R N 3.962 124.473 120.500 0.018 0.000 2.490 264 R HA 0.655 4.995 4.340 0.001 0.000 0.280 264 R C 0.675 176.953 176.300 -0.038 0.000 1.077 264 R CA 1.371 57.485 56.100 0.022 0.000 1.065 264 R CB 0.596 30.962 30.300 0.110 0.000 1.003 264 R HN 1.380 nan 8.270 nan 0.000 0.470 265 G N 2.503 111.216 108.800 -0.146 0.000 2.568 265 G HA2 -0.240 3.721 3.960 0.001 0.000 0.222 265 G HA3 -0.240 3.721 3.960 0.001 0.000 0.222 265 G C -1.338 173.221 174.900 -0.569 0.000 1.321 265 G CA -0.035 44.897 45.100 -0.281 0.000 0.893 265 G HN 0.795 nan 8.290 nan 0.000 0.569 266 D N 1.012 121.137 120.400 -0.459 0.000 2.313 266 D HA 0.527 5.168 4.640 0.001 0.000 0.239 266 D C -1.001 175.162 176.300 -0.228 0.000 1.142 266 D CA -1.974 51.726 54.000 -0.500 0.000 0.847 266 D CB 1.423 42.260 40.800 0.062 0.000 1.082 266 D HN -0.008 nan 8.370 nan 0.000 0.480 267 P HA -0.045 nan 4.420 nan 0.000 0.222 267 P C 0.741 178.049 177.300 0.013 0.000 1.147 267 P CA 0.783 63.839 63.100 -0.073 0.000 0.790 267 P CB 0.263 31.935 31.700 -0.048 0.000 0.780 268 A N -0.884 121.964 122.820 0.046 0.000 2.206 268 A HA -0.045 4.276 4.320 0.001 0.000 0.211 268 A C 1.495 179.142 177.584 0.105 0.000 1.158 268 A CA 1.093 53.194 52.037 0.106 0.000 0.761 268 A CB -0.668 18.419 19.000 0.145 0.000 0.801 268 A HN 0.118 nan 8.150 nan 0.000 0.473 269 N N -1.024 117.715 118.700 0.065 0.000 2.238 269 N HA 0.124 4.865 4.740 0.001 0.000 0.235 269 N C 1.001 176.525 175.510 0.024 0.000 1.209 269 N CA 0.061 53.145 53.050 0.056 0.000 0.879 269 N CB 0.738 39.249 38.487 0.040 0.000 1.136 269 N HN 0.113 nan 8.380 nan 0.000 0.517 270 V N 1.000 120.931 119.914 0.028 0.000 2.332 270 V HA -0.209 3.911 4.120 0.001 0.000 0.248 270 V C 2.336 178.459 176.094 0.048 0.000 1.055 270 V CA 1.833 64.149 62.300 0.026 0.000 1.038 270 V CB -0.058 31.789 31.823 0.039 0.000 0.651 270 V HN 0.376 nan 8.190 nan 0.000 0.450 271 E N -0.797 119.447 120.200 0.075 0.000 2.076 271 E HA -0.155 4.196 4.350 0.001 0.000 0.190 271 E C 2.148 178.752 176.600 0.006 0.000 0.979 271 E CA 1.105 57.552 56.400 0.078 0.000 0.807 271 E CB -0.022 29.781 29.700 0.172 0.000 0.761 271 E HN 0.520 nan 8.360 nan 0.000 0.454 272 I N 1.042 121.630 120.570 0.029 0.000 2.286 272 I HA -0.219 3.952 4.170 0.001 0.000 0.248 272 I C 2.059 178.158 176.117 -0.029 0.000 1.115 272 I CA 1.466 62.748 61.300 -0.031 0.000 1.392 272 I CB -0.300 37.726 38.000 0.044 0.000 1.065 272 I HN 0.017 nan 8.210 nan 0.000 0.418 273 T N -0.054 114.502 114.554 0.003 0.000 2.746 273 T HA -0.207 4.144 4.350 0.001 0.000 0.267 273 T C 1.799 176.575 174.700 0.126 0.000 1.039 273 T CA 1.820 63.954 62.100 0.057 0.000 1.142 273 T CB -0.270 68.609 68.868 0.019 0.000 0.866 273 T HN 0.425 nan 8.240 nan 0.000 0.444 274 E N 0.396 120.641 120.200 0.075 0.000 2.106 274 E HA -0.008 4.343 4.350 0.001 0.000 0.192 274 E C 2.122 178.751 176.600 0.048 0.000 0.984 274 E CA 0.662 57.106 56.400 0.073 0.000 0.806 274 E CB -0.203 29.524 29.700 0.045 0.000 0.750 274 E HN 0.405 nan 8.360 nan 0.000 0.458 275 L N -0.094 121.122 121.223 -0.011 0.000 2.027 275 L HA -0.230 4.111 4.340 0.001 0.000 0.206 275 L C 2.519 179.460 176.870 0.119 0.000 1.074 275 L CA 0.744 55.593 54.840 0.014 0.000 0.745 275 L CB -0.413 41.565 42.059 -0.135 0.000 0.898 275 L HN 0.335 nan 8.230 nan 0.000 0.433 276 C N 0.196 119.530 119.300 0.058 0.000 2.385 276 C HA -0.220 4.241 4.460 0.001 0.000 0.275 276 C C 2.721 177.853 174.990 0.237 0.000 1.207 276 C CA 0.852 59.917 59.018 0.079 0.000 1.760 276 C CB -0.810 26.900 27.740 -0.050 0.000 2.051 276 C HN 0.434 nan 8.230 nan 0.000 0.467 277 I N 0.192 120.926 120.570 0.275 0.000 2.315 277 I HA -0.242 3.929 4.170 0.001 0.000 0.248 277 I C 2.800 178.972 176.117 0.091 0.000 1.117 277 I CA 1.516 62.947 61.300 0.217 0.000 1.404 277 I CB -0.650 37.456 38.000 0.178 0.000 1.071 277 I HN 0.473 nan 8.210 nan 0.000 0.419 278 Q N 0.635 120.463 119.800 0.047 0.000 2.119 278 Q HA -0.231 4.110 4.340 0.001 0.000 0.201 278 Q C 1.308 177.203 176.000 -0.176 0.000 0.972 278 Q CA 1.642 57.404 55.803 -0.069 0.000 0.847 278 Q CB -0.037 28.643 28.738 -0.097 0.000 0.903 278 Q HN 0.589 nan 8.270 nan 0.000 0.433 279 H N -1.425 117.620 119.070 -0.041 0.000 2.555 279 H HA 0.211 4.767 4.556 0.001 0.000 0.283 279 H C 0.683 175.979 175.328 -0.053 0.000 1.037 279 H CA 0.706 56.705 56.048 -0.082 0.000 1.169 279 H CB 0.385 30.049 29.762 -0.162 0.000 1.375 279 H HN 0.543 nan 8.280 nan 0.000 0.582 280 G N -0.492 108.342 108.800 0.056 0.000 2.159 280 G HA2 -0.258 3.703 3.960 0.001 0.000 0.227 280 G HA3 -0.258 3.703 3.960 0.001 0.000 0.227 280 G C -0.043 174.921 174.900 0.107 0.000 0.986 280 G CA -0.148 44.977 45.100 0.042 0.000 0.651 280 G HN 0.395 nan 8.290 nan 0.000 0.523 281 W N 2.503 123.778 121.300 -0.042 0.000 2.218 281 W HA 0.627 5.288 4.660 0.001 0.000 0.326 281 W C 0.388 176.897 176.519 -0.017 0.000 1.276 281 W CA 0.300 57.625 57.345 -0.033 0.000 1.210 281 W CB 0.733 30.182 29.460 -0.018 0.000 1.143 281 W HN 0.073 nan 8.180 nan 0.000 0.563 282 T N 9.414 123.705 114.554 -0.438 0.000 2.737 282 T HA 0.204 4.555 4.350 0.001 0.000 0.296 282 T C -2.122 171.780 174.700 -1.331 0.000 0.922 282 T CA -0.886 60.850 62.100 -0.608 0.000 1.079 282 T CB 0.502 69.167 68.868 -0.338 0.000 0.892 282 T HN 0.213 nan 8.240 nan 0.000 0.514 283 P HA 0.341 nan 4.420 nan 0.000 0.276 283 P C 0.414 177.299 177.300 -0.691 0.000 1.244 283 P CA -0.344 62.019 63.100 -1.229 0.000 0.801 283 P CB 0.785 32.148 31.700 -0.561 0.000 1.006 284 G N 0.961 109.531 108.800 -0.385 0.000 2.531 284 G HA2 0.268 4.228 3.960 0.001 0.000 0.281 284 G HA3 0.268 4.228 3.960 0.001 0.000 0.281 284 G C 0.244 174.907 174.900 -0.394 0.000 1.382 284 G CA -0.612 44.374 45.100 -0.191 0.000 1.045 284 G HN 0.706 nan 8.290 nan 0.000 0.533 285 N N -0.440 118.133 118.700 -0.211 0.000 2.466 285 N HA 0.183 4.924 4.740 0.001 0.000 0.272 285 N C 0.379 175.897 175.510 0.013 0.000 1.455 285 N CA -0.167 52.725 53.050 -0.264 0.000 0.875 285 N CB 0.894 39.217 38.487 -0.273 0.000 1.372 285 N HN 0.591 nan 8.380 nan 0.000 0.492 286 G N 0.669 109.568 108.800 0.164 0.000 2.557 286 G HA2 0.345 4.306 3.960 0.001 0.000 0.302 286 G HA3 0.345 4.306 3.960 0.001 0.000 0.302 286 G C 0.584 175.564 174.900 0.134 0.000 1.311 286 G CA -0.683 44.505 45.100 0.147 0.000 1.030 286 G HN 0.179 nan 8.290 nan 0.000 0.509 287 R N -1.275 119.198 120.500 -0.045 0.000 2.280 287 R HA 0.166 4.507 4.340 0.001 0.000 0.195 287 R C -0.285 175.540 176.300 -0.792 0.000 0.935 287 R CA 0.575 56.444 56.100 -0.384 0.000 1.033 287 R CB 0.220 30.192 30.300 -0.547 0.000 0.964 287 R HN 0.349 nan 8.270 nan 0.000 0.489 288 F N 0.876 120.764 119.950 -0.104 0.000 2.576 288 F HA 0.268 4.796 4.527 0.001 0.000 0.365 288 F C -0.651 175.077 175.800 -0.119 0.000 1.506 288 F CA -1.191 56.452 58.000 -0.595 0.000 1.113 288 F CB 0.605 39.029 39.000 -0.960 0.000 1.293 288 F HN -0.246 nan 8.300 nan 0.000 0.540 289 D N 1.837 122.398 120.400 0.269 0.000 2.316 289 D HA 0.168 4.809 4.640 0.001 0.000 0.245 289 D C 0.233 176.787 176.300 0.424 0.000 1.171 289 D CA 0.176 54.405 54.000 0.382 0.000 0.856 289 D CB 2.246 43.324 40.800 0.463 0.000 1.090 289 D HN -0.042 nan 8.370 nan 0.000 0.476 290 V N 4.243 124.377 119.914 0.367 0.000 2.493 290 V HA -0.060 4.061 4.120 0.001 0.000 0.292 290 V C 1.092 177.199 176.094 0.021 0.000 1.016 290 V CA -0.041 62.359 62.300 0.166 0.000 1.097 290 V CB 0.039 31.912 31.823 0.083 0.000 0.947 290 V HN 0.347 nan 8.190 nan 0.000 0.479 291 L N 8.626 129.768 121.223 -0.135 0.000 2.452 291 L HA 0.309 4.650 4.340 0.001 0.000 0.267 291 L C -1.608 175.016 176.870 -0.410 0.000 1.188 291 L CA -1.328 53.286 54.840 -0.376 0.000 0.821 291 L CB 0.912 42.790 42.059 -0.301 0.000 1.102 291 L HN 0.480 nan 8.230 nan 0.000 0.470 292 P HA 0.209 nan 4.420 nan 0.000 0.276 292 P C -1.117 176.002 177.300 -0.303 0.000 1.261 292 P CA -0.442 62.376 63.100 -0.471 0.000 0.800 292 P CB 0.829 32.095 31.700 -0.722 0.000 1.066 293 L N 0.829 121.950 121.223 -0.169 0.000 2.325 293 L HA 0.418 4.759 4.340 0.001 0.000 0.279 293 L C 0.445 177.250 176.870 -0.108 0.000 1.054 293 L CA -0.776 54.007 54.840 -0.095 0.000 0.804 293 L CB 0.590 42.647 42.059 -0.003 0.000 1.200 293 L HN 0.190 nan 8.230 nan 0.000 0.436 294 L N 4.781 125.926 121.223 -0.129 0.000 2.276 294 L HA 0.477 4.818 4.340 0.001 0.000 0.286 294 L C -0.645 176.095 176.870 -0.217 0.000 1.024 294 L CA -0.198 54.484 54.840 -0.264 0.000 0.826 294 L CB 1.029 42.854 42.059 -0.390 0.000 1.211 294 L HN 0.448 nan 8.230 nan 0.000 0.422 295 L N 4.212 125.334 121.223 -0.168 0.000 2.322 295 L HA 0.516 4.857 4.340 0.001 0.000 0.281 295 L C -0.360 176.398 176.870 -0.186 0.000 1.014 295 L CA -0.428 54.342 54.840 -0.115 0.000 0.815 295 L CB 1.985 44.010 42.059 -0.057 0.000 1.247 295 L HN 0.571 nan 8.230 nan 0.000 0.421 296 Q N 2.535 122.252 119.800 -0.137 0.000 2.325 296 Q HA 0.678 5.019 4.340 0.001 0.000 0.270 296 Q C -1.211 174.712 176.000 -0.129 0.000 1.020 296 Q CA -0.566 55.157 55.803 -0.133 0.000 0.785 296 Q CB 2.282 30.998 28.738 -0.037 0.000 1.259 296 Q HN 0.783 nan 8.270 nan 0.000 0.452 297 A N 4.914 127.606 122.820 -0.214 0.000 2.279 297 A HA 0.684 5.004 4.320 0.001 0.000 0.303 297 A C -2.442 174.868 177.584 -0.456 0.000 1.108 297 A CA -1.682 50.057 52.037 -0.496 0.000 0.830 297 A CB 0.260 19.069 19.000 -0.317 0.000 1.106 297 A HN 0.617 nan 8.150 nan 0.000 0.493 298 P HA -0.006 nan 4.420 nan 0.000 0.261 298 P C -0.605 176.590 177.300 -0.175 0.000 1.165 298 P CA 0.885 63.778 63.100 -0.345 0.000 0.759 298 P CB 0.112 31.612 31.700 -0.334 0.000 0.772 299 D N -0.207 120.138 120.400 -0.091 0.000 2.811 299 D HA -0.183 4.458 4.640 0.001 0.000 0.231 299 D C -0.004 176.273 176.300 -0.037 0.000 1.157 299 D CA 1.295 55.271 54.000 -0.039 0.000 0.716 299 D CB -0.539 40.241 40.800 -0.033 0.000 1.077 299 D HN 0.441 nan 8.370 nan 0.000 0.428 300 E N -0.597 119.570 120.200 -0.055 0.000 2.277 300 E HA 0.661 5.012 4.350 0.001 0.000 0.266 300 E C 0.112 176.685 176.600 -0.046 0.000 0.901 300 E CA -0.775 55.593 56.400 -0.053 0.000 0.782 300 E CB 1.565 31.218 29.700 -0.079 0.000 1.228 300 E HN 0.154 nan 8.360 nan 0.000 0.424 301 A N 3.499 126.294 122.820 -0.042 0.000 2.561 301 A HA 0.223 4.544 4.320 0.001 0.000 0.234 301 A C -1.917 175.540 177.584 -0.212 0.000 1.055 301 A CA -0.606 51.388 52.037 -0.072 0.000 0.756 301 A CB -0.693 18.292 19.000 -0.024 0.000 0.986 301 A HN 0.286 nan 8.150 nan 0.000 0.505 302 P HA 0.155 nan 4.420 nan 0.000 0.269 302 P C -0.520 176.483 177.300 -0.496 0.000 1.215 302 P CA 0.159 62.861 63.100 -0.664 0.000 0.780 302 P CB 0.665 31.475 31.700 -1.482 0.000 0.898 303 E N 0.558 120.555 120.200 -0.339 0.000 2.195 303 E HA 0.384 4.735 4.350 0.001 0.000 0.271 303 E C -0.693 175.672 176.600 -0.392 0.000 0.923 303 E CA -1.126 55.082 56.400 -0.320 0.000 0.790 303 E CB 1.622 31.209 29.700 -0.187 0.000 1.155 303 E HN 0.289 nan 8.360 nan 0.000 0.402 304 L N 3.189 124.082 121.223 -0.551 0.000 2.349 304 L HA 0.395 4.736 4.340 0.001 0.000 0.275 304 L C -1.518 174.807 176.870 -0.909 0.000 1.115 304 L CA 0.375 54.906 54.840 -0.514 0.000 0.820 304 L CB 0.079 41.930 42.059 -0.348 0.000 1.135 304 L HN 0.398 nan 8.230 nan 0.000 0.445 305 F N 3.950 123.643 119.950 -0.429 0.000 2.557 305 F HA 0.434 4.962 4.527 0.001 0.000 0.316 305 F C -0.346 175.170 175.800 -0.473 0.000 1.141 305 F CA -0.941 56.667 58.000 -0.654 0.000 0.922 305 F CB 1.791 40.003 39.000 -1.312 0.000 1.194 305 F HN 0.031 nan 8.300 nan 0.000 0.443 306 V N 4.578 124.387 119.914 -0.175 0.000 2.488 306 V HA 0.198 4.319 4.120 0.001 0.000 0.277 306 V C 0.293 176.477 176.094 0.150 0.000 1.046 306 V CA -0.628 61.658 62.300 -0.024 0.000 0.986 306 V CB 1.182 33.037 31.823 0.053 0.000 0.989 306 V HN 0.539 nan 8.190 nan 0.000 0.475 307 L N 7.736 129.053 121.223 0.157 0.000 2.462 307 L HA 0.220 4.561 4.340 0.001 0.000 0.272 307 L C -2.031 174.941 176.870 0.169 0.000 1.166 307 L CA -1.410 53.562 54.840 0.219 0.000 0.880 307 L CB 0.436 42.558 42.059 0.105 0.000 1.142 307 L HN 0.464 nan 8.230 nan 0.000 0.473 308 P HA 0.070 nan 4.420 nan 0.000 0.266 308 P C -2.072 175.277 177.300 0.081 0.000 1.215 308 P CA -1.011 62.160 63.100 0.118 0.000 0.763 308 P CB 0.327 32.079 31.700 0.088 0.000 0.806 309 P HA -0.181 nan 4.420 nan 0.000 0.221 309 P C 1.198 178.532 177.300 0.056 0.000 1.145 309 P CA 1.162 64.307 63.100 0.075 0.000 0.795 309 P CB -0.121 31.629 31.700 0.083 0.000 0.775 310 E N -0.110 120.118 120.200 0.046 0.000 2.482 310 E HA -0.065 4.286 4.350 0.001 0.000 0.196 310 E C 1.516 178.130 176.600 0.024 0.000 1.047 310 E CA 0.590 57.009 56.400 0.032 0.000 0.869 310 E CB -0.738 28.978 29.700 0.026 0.000 0.836 310 E HN 0.297 nan 8.360 nan 0.000 0.520 311 L N 0.801 122.039 121.223 0.025 0.000 2.307 311 L HA 0.123 4.464 4.340 0.001 0.000 0.211 311 L C 0.687 177.570 176.870 0.022 0.000 1.099 311 L CA 0.218 55.067 54.840 0.015 0.000 0.816 311 L CB 0.496 42.557 42.059 0.003 0.000 0.952 311 L HN -0.066 nan 8.230 nan 0.000 0.455 312 V N 2.301 122.232 119.914 0.029 0.000 2.339 312 V HA 0.105 4.226 4.120 0.001 0.000 0.261 312 V C 0.139 176.263 176.094 0.050 0.000 1.058 312 V CA -0.466 61.853 62.300 0.031 0.000 0.897 312 V CB 1.106 32.938 31.823 0.016 0.000 1.052 312 V HN 0.047 nan 8.190 nan 0.000 0.480 313 L N 6.114 127.372 121.223 0.058 0.000 2.367 313 L HA 0.456 4.797 4.340 0.001 0.000 0.275 313 L C 0.172 177.081 176.870 0.066 0.000 1.129 313 L CA 0.668 55.535 54.840 0.047 0.000 0.839 313 L CB 0.529 42.608 42.059 0.034 0.000 1.133 313 L HN 0.679 nan 8.230 nan 0.000 0.453 314 E N 3.251 123.467 120.200 0.026 0.000 2.312 314 E HA 0.567 4.918 4.350 0.001 0.000 0.267 314 E C -1.494 175.053 176.600 -0.089 0.000 0.894 314 E CA -0.996 55.419 56.400 0.024 0.000 0.773 314 E CB 2.536 32.280 29.700 0.073 0.000 1.241 314 E HN 0.340 nan 8.360 nan 0.000 0.432 315 V N 3.028 122.855 119.914 -0.146 0.000 2.349 315 V HA 0.270 4.391 4.120 0.001 0.000 0.284 315 V C -2.411 173.608 176.094 -0.124 0.000 1.014 315 V CA -2.035 60.111 62.300 -0.257 0.000 0.826 315 V CB 1.248 32.642 31.823 -0.714 0.000 1.009 315 V HN 0.519 nan 8.190 nan 0.000 0.431 316 P HA 0.147 nan 4.420 nan 0.000 0.265 316 P C -0.528 176.780 177.300 0.013 0.000 1.193 316 P CA 0.188 63.260 63.100 -0.048 0.000 0.765 316 P CB 0.476 32.157 31.700 -0.031 0.000 0.823 317 L N 4.055 125.322 121.223 0.074 0.000 2.289 317 L HA 0.473 4.814 4.340 0.001 0.000 0.285 317 L C 1.003 178.043 176.870 0.283 0.000 1.049 317 L CA -0.124 54.833 54.840 0.194 0.000 0.804 317 L CB 0.745 42.987 42.059 0.306 0.000 1.195 317 L HN 0.534 nan 8.230 nan 0.000 0.428 318 E N 1.724 122.046 120.200 0.203 0.000 2.454 318 E HA 0.432 4.783 4.350 0.001 0.000 0.279 318 E C -1.430 175.131 176.600 -0.064 0.000 1.029 318 E CA -0.967 55.540 56.400 0.178 0.000 0.831 318 E CB 2.262 32.057 29.700 0.159 0.000 1.405 318 E HN 0.451 nan 8.360 nan 0.000 0.463 319 H N 0.979 119.865 119.070 -0.307 0.000 2.589 319 H HA 0.243 4.800 4.556 0.001 0.000 0.351 319 H C -1.919 173.050 175.328 -0.598 0.000 1.074 319 H CA -2.250 53.454 56.048 -0.573 0.000 1.203 319 H CB 2.119 31.442 29.762 -0.732 0.000 1.558 319 H HN 0.392 nan 8.280 nan 0.000 0.522 320 P HA -0.186 nan 4.420 nan 0.000 0.217 320 P C 0.994 178.108 177.300 -0.311 0.000 1.151 320 P CA 2.282 64.851 63.100 -0.884 0.000 0.849 320 P CB 0.346 31.576 31.700 -0.784 0.000 0.787 321 T N -4.834 109.676 114.554 -0.074 0.000 2.989 321 T HA 0.193 4.544 4.350 0.001 0.000 0.250 321 T C 0.870 175.519 174.700 -0.084 0.000 0.981 321 T CA -0.271 61.813 62.100 -0.027 0.000 0.980 321 T CB -0.659 68.206 68.868 -0.006 0.000 1.133 321 T HN -0.065 nan 8.240 nan 0.000 0.489 322 L N 4.093 125.209 121.223 -0.179 0.000 2.407 322 L HA 0.326 4.667 4.340 0.001 0.000 0.282 322 L C 2.028 178.550 176.870 -0.580 0.000 1.110 322 L CA -0.476 53.975 54.840 -0.649 0.000 0.863 322 L CB 0.675 41.946 42.059 -1.313 0.000 1.207 322 L HN 0.362 nan 8.230 nan 0.000 0.454 323 E N 5.396 125.375 120.200 -0.369 0.000 2.204 323 E HA -0.192 4.159 4.350 0.001 0.000 0.194 323 E C 1.552 178.126 176.600 -0.042 0.000 0.989 323 E CA 1.146 57.469 56.400 -0.129 0.000 0.824 323 E CB -0.045 29.655 29.700 -0.001 0.000 0.756 323 E HN 0.847 nan 8.360 nan 0.000 0.477 324 W N -0.321 121.030 121.300 0.085 0.000 2.518 324 W HA 0.062 4.723 4.660 0.001 0.000 0.273 324 W C 1.707 178.288 176.519 0.104 0.000 1.247 324 W CA -0.231 57.157 57.345 0.071 0.000 1.288 324 W CB -1.209 28.272 29.460 0.035 0.000 1.107 324 W HN -0.122 nan 8.180 nan 0.000 0.586 325 F N 3.193 123.033 119.950 -0.184 0.000 2.087 325 F HA -0.244 4.283 4.527 0.001 0.000 0.299 325 F C 2.724 178.575 175.800 0.085 0.000 1.100 325 F CA 3.285 61.257 58.000 -0.047 0.000 1.226 325 F CB -0.730 38.076 39.000 -0.323 0.000 0.983 325 F HN -0.073 nan 8.300 nan 0.000 0.479 326 A N -0.078 122.914 122.820 0.288 0.000 2.032 326 A HA -0.137 4.184 4.320 0.001 0.000 0.221 326 A C 2.337 179.992 177.584 0.119 0.000 1.165 326 A CA 1.768 53.926 52.037 0.201 0.000 0.645 326 A CB -1.481 17.606 19.000 0.146 0.000 0.807 326 A HN 0.522 nan 8.150 nan 0.000 0.453 327 A N -0.037 122.860 122.820 0.127 0.000 1.930 327 A HA 0.004 4.325 4.320 0.001 0.000 0.217 327 A C 1.941 179.563 177.584 0.064 0.000 1.175 327 A CA 1.228 53.324 52.037 0.099 0.000 0.627 327 A CB -0.636 18.436 19.000 0.120 0.000 0.815 327 A HN 0.509 nan 8.150 nan 0.000 0.443 328 L N -0.635 120.606 121.223 0.031 0.000 2.468 328 L HA -0.194 4.146 4.340 0.001 0.000 0.225 328 L C 1.859 178.746 176.870 0.027 0.000 1.139 328 L CA 0.758 55.587 54.840 -0.019 0.000 0.792 328 L CB -1.127 40.825 42.059 -0.179 0.000 0.916 328 L HN 0.624 nan 8.230 nan 0.000 0.446 329 G N -0.117 108.706 108.800 0.037 0.000 2.203 329 G HA2 -0.298 3.663 3.960 0.001 0.000 0.263 329 G HA3 -0.298 3.663 3.960 0.001 0.000 0.263 329 G C 0.066 174.975 174.900 0.015 0.000 1.012 329 G CA -0.033 45.097 45.100 0.051 0.000 0.749 329 G HN 0.144 nan 8.290 nan 0.000 0.512 330 L N 0.502 121.715 121.223 -0.018 0.000 2.439 330 L HA 0.657 4.998 4.340 0.001 0.000 0.269 330 L C 1.084 177.776 176.870 -0.296 0.000 1.179 330 L CA 0.146 54.916 54.840 -0.117 0.000 0.828 330 L CB 0.737 42.800 42.059 0.006 0.000 1.106 330 L HN 0.623 nan 8.230 nan 0.000 0.467 331 R N 2.633 122.720 120.500 -0.687 0.000 2.716 331 R HA 0.476 4.817 4.340 0.001 0.000 0.271 331 R C -1.882 174.330 176.300 -0.147 0.000 1.028 331 R CA -0.895 54.947 56.100 -0.431 0.000 0.883 331 R CB 1.424 31.419 30.300 -0.508 0.000 1.250 331 R HN 0.614 nan 8.270 nan 0.000 0.465 332 W N 1.961 123.198 121.300 -0.106 0.000 3.118 332 W HA 0.391 5.052 4.660 0.002 0.000 0.328 332 W C -1.263 175.332 176.519 0.126 0.000 1.239 332 W CA -0.990 56.394 57.345 0.065 0.000 1.176 332 W CB 2.140 31.563 29.460 -0.063 0.000 1.433 332 W HN 0.680 nan 8.180 nan 0.000 0.562 333 Y N 0.841 121.077 120.300 -0.107 0.000 2.301 333 Y HA 0.594 5.145 4.550 0.002 0.000 0.325 333 Y C 0.723 176.843 175.900 0.367 0.000 1.203 333 Y CA -0.215 57.889 58.100 0.006 0.000 1.255 333 Y CB 0.493 38.800 38.460 -0.255 0.000 1.232 333 Y HN 0.361 nan 8.280 nan 0.000 0.501 334 A N 2.437 125.529 122.820 0.453 0.000 2.016 334 A HA 0.061 4.382 4.320 0.001 0.000 0.217 334 A C 0.415 178.355 177.584 0.594 0.000 1.162 334 A CA 0.534 52.882 52.037 0.517 0.000 0.662 334 A CB -0.269 18.886 19.000 0.259 0.000 0.812 334 A HN 0.652 nan 8.150 nan 0.000 0.450 335 L N 1.621 123.161 121.223 0.528 0.000 2.295 335 L HA 0.448 4.789 4.340 0.001 0.000 0.281 335 L C -2.690 174.320 176.870 0.233 0.000 1.018 335 L CA -2.449 52.575 54.840 0.306 0.000 0.841 335 L CB 1.692 43.870 42.059 0.199 0.000 1.218 335 L HN -0.081 nan 8.230 nan 0.000 0.424 336 P HA 0.357 nan 4.420 nan 0.000 0.284 336 P C -1.333 175.877 177.300 -0.150 0.000 1.343 336 P CA -0.241 62.704 63.100 -0.257 0.000 0.826 336 P CB 1.184 32.391 31.700 -0.822 0.000 0.956 337 A N 4.446 127.184 122.820 -0.137 0.000 2.410 337 A HA 0.456 4.777 4.320 0.001 0.000 0.289 337 A C -0.248 177.103 177.584 -0.388 0.000 1.200 337 A CA -0.658 51.225 52.037 -0.256 0.000 0.751 337 A CB 0.867 19.745 19.000 -0.203 0.000 1.161 337 A HN 0.284 nan 8.150 nan 0.000 0.459 338 V N 2.563 122.052 119.914 -0.708 0.000 2.715 338 V HA 0.364 4.485 4.120 0.001 0.000 0.299 338 V C 1.203 176.891 176.094 -0.677 0.000 1.054 338 V CA 1.087 62.938 62.300 -0.748 0.000 1.077 338 V CB 1.334 32.491 31.823 -1.111 0.000 0.972 338 V HN 1.198 nan 8.190 nan 0.000 0.484 339 S N 0.821 116.318 115.700 -0.338 0.000 2.820 339 S HA 0.052 4.523 4.470 0.001 0.000 0.265 339 S C 0.638 175.197 174.600 -0.068 0.000 1.043 339 S CA 0.070 58.160 58.200 -0.184 0.000 1.245 339 S CB -0.472 62.649 63.200 -0.131 0.000 1.187 339 S HN 0.907 nan 8.310 nan 0.000 0.673 340 N N 0.555 119.210 118.700 -0.076 0.000 2.234 340 N HA 0.358 5.099 4.740 0.001 0.000 0.227 340 N C -0.069 175.396 175.510 -0.074 0.000 1.151 340 N CA -0.511 52.503 53.050 -0.059 0.000 0.865 340 N CB 0.206 38.649 38.487 -0.074 0.000 1.066 340 N HN 0.268 nan 8.380 nan 0.000 0.515 341 M N 1.411 121.021 119.600 0.016 0.000 2.472 341 M HA 0.354 4.835 4.480 0.001 0.000 0.331 341 M C -0.840 175.574 176.300 0.189 0.000 1.170 341 M CA -0.949 54.413 55.300 0.104 0.000 1.009 341 M CB 2.868 35.610 32.600 0.236 0.000 1.672 341 M HN 0.137 nan 8.290 nan 0.000 0.453 342 L N 3.180 124.508 121.223 0.174 0.000 2.312 342 L HA 0.503 4.844 4.340 0.001 0.000 0.281 342 L C -1.269 175.763 176.870 0.269 0.000 1.070 342 L CA -0.748 54.204 54.840 0.186 0.000 0.805 342 L CB 1.001 43.113 42.059 0.090 0.000 1.174 342 L HN 0.627 nan 8.230 nan 0.000 0.434 343 L N 5.243 126.626 121.223 0.267 0.000 2.280 343 L HA 0.418 4.759 4.340 0.001 0.000 0.287 343 L C -0.458 176.484 176.870 0.120 0.000 1.023 343 L CA 0.095 55.013 54.840 0.129 0.000 0.819 343 L CB 1.134 43.250 42.059 0.095 0.000 1.212 343 L HN 0.602 nan 8.230 nan 0.000 0.420 344 E N 6.563 126.752 120.200 -0.018 0.000 2.146 344 E HA 0.353 4.704 4.350 0.001 0.000 0.282 344 E C -1.451 175.097 176.600 -0.087 0.000 0.989 344 E CA -0.363 56.029 56.400 -0.014 0.000 0.799 344 E CB 0.931 30.615 29.700 -0.027 0.000 1.088 344 E HN 0.725 nan 8.360 nan 0.000 0.397 345 I N 2.656 123.181 120.570 -0.074 0.000 2.447 345 I HA 0.269 4.439 4.170 0.001 0.000 0.287 345 I C 0.892 176.813 176.117 -0.327 0.000 1.023 345 I CA -0.667 60.452 61.300 -0.302 0.000 1.083 345 I CB 1.988 39.719 38.000 -0.449 0.000 1.245 345 I HN 0.774 nan 8.210 nan 0.000 0.434 346 G N 4.222 112.852 108.800 -0.283 0.000 2.321 346 G HA2 -0.145 3.815 3.960 0.001 0.000 0.287 346 G HA3 -0.145 3.815 3.960 0.001 0.000 0.287 346 G C 1.051 176.026 174.900 0.125 0.000 1.018 346 G CA 0.790 45.909 45.100 0.033 0.000 0.855 346 G HN 1.550 nan 8.290 nan 0.000 0.507 347 G N -1.950 106.880 108.800 0.049 0.000 2.234 347 G HA2 -0.264 3.696 3.960 0.001 0.000 0.260 347 G HA3 -0.264 3.696 3.960 0.001 0.000 0.260 347 G C 0.590 175.491 174.900 0.002 0.000 0.987 347 G CA 0.591 45.721 45.100 0.050 0.000 0.625 347 G HN 1.316 nan 8.290 nan 0.000 0.532 348 L N 0.773 121.968 121.223 -0.046 0.000 2.417 348 L HA 0.548 4.889 4.340 0.001 0.000 0.268 348 L C 0.500 177.226 176.870 -0.240 0.000 1.158 348 L CA -0.212 54.496 54.840 -0.221 0.000 0.819 348 L CB 0.750 42.580 42.059 -0.381 0.000 1.112 348 L HN 0.227 nan 8.230 nan 0.000 0.458 349 E N 1.905 121.874 120.200 -0.386 0.000 2.187 349 E HA 0.436 4.787 4.350 0.001 0.000 0.268 349 E C -1.554 174.766 176.600 -0.467 0.000 0.896 349 E CA -0.496 55.752 56.400 -0.255 0.000 0.766 349 E CB 1.987 31.608 29.700 -0.131 0.000 1.142 349 E HN 0.239 nan 8.360 nan 0.000 0.408 350 F N 1.613 121.553 119.950 -0.016 0.000 2.382 350 F HA 0.118 4.646 4.527 0.001 0.000 0.361 350 F C 1.330 177.171 175.800 0.069 0.000 1.109 350 F CA -0.491 57.521 58.000 0.019 0.000 1.031 350 F CB 1.553 40.553 39.000 0.000 0.000 1.234 350 F HN 0.452 nan 8.300 nan 0.000 0.445 351 S N 1.483 117.286 115.700 0.172 0.000 2.470 351 S HA 0.328 4.799 4.470 0.001 0.000 0.225 351 S C 0.756 175.466 174.600 0.184 0.000 1.006 351 S CA 0.269 58.556 58.200 0.144 0.000 0.934 351 S CB 0.163 63.423 63.200 0.099 0.000 0.778 351 S HN 0.506 nan 8.310 nan 0.000 0.517 352 A N 0.697 123.672 122.820 0.258 0.000 2.323 352 A HA 0.843 5.164 4.320 0.001 0.000 0.305 352 A C -0.127 177.688 177.584 0.384 0.000 1.275 352 A CA -0.243 51.967 52.037 0.288 0.000 0.804 352 A CB 0.843 19.994 19.000 0.253 0.000 1.152 352 A HN 0.965 nan 8.150 nan 0.000 0.487 353 A N 4.198 127.199 122.820 0.302 0.000 3.464 353 A HA 0.615 4.936 4.320 0.001 0.000 0.243 353 A C -3.048 174.685 177.584 0.248 0.000 1.100 353 A CA -0.883 51.309 52.037 0.258 0.000 0.957 353 A CB 0.350 19.516 19.000 0.276 0.000 1.340 353 A HN 0.510 nan 8.150 nan 0.000 0.645 354 P HA 0.508 nan 4.420 nan 0.000 0.271 354 P C -0.745 176.560 177.300 0.008 0.000 1.216 354 P CA 0.310 63.363 63.100 -0.079 0.000 0.776 354 P CB 0.387 31.989 31.700 -0.163 0.000 0.881 355 F N -0.935 118.951 119.950 -0.108 0.000 2.613 355 F HA 0.769 5.297 4.527 0.001 0.000 0.310 355 F C -0.815 174.918 175.800 -0.113 0.000 1.085 355 F CA -1.148 56.806 58.000 -0.076 0.000 0.945 355 F CB 1.549 40.396 39.000 -0.255 0.000 1.298 355 F HN 0.402 nan 8.300 nan 0.000 0.455 356 S N 0.153 115.943 115.700 0.150 0.000 2.541 356 S HA 0.931 5.402 4.470 0.001 0.000 0.271 356 S C -0.748 173.829 174.600 -0.038 0.000 1.133 356 S CA -0.166 58.060 58.200 0.043 0.000 0.876 356 S CB 1.486 64.791 63.200 0.176 0.000 1.105 356 S HN 1.477 nan 8.310 nan 0.000 0.470 357 G N 0.242 108.970 108.800 -0.120 0.000 3.359 357 G HA2 0.733 4.694 3.960 0.001 0.000 0.187 357 G HA3 0.733 4.694 3.960 0.001 0.000 0.187 357 G C -1.368 173.555 174.900 0.039 0.000 1.294 357 G CA -0.342 44.643 45.100 -0.192 0.000 0.769 357 G HN 1.083 nan 8.290 nan 0.000 0.733 358 W N -1.431 119.892 121.300 0.038 0.000 2.975 358 W HA 0.818 5.479 4.660 0.001 0.000 0.342 358 W C -1.599 174.937 176.519 0.028 0.000 1.168 358 W CA -2.212 55.163 57.345 0.050 0.000 1.141 358 W CB 0.440 29.971 29.460 0.118 0.000 1.445 358 W HN 0.369 nan 8.180 nan 0.000 0.560 359 Y N 2.522 123.024 120.300 0.338 0.000 2.397 359 Y HA 0.248 4.799 4.550 0.001 0.000 0.335 359 Y C 0.791 176.763 175.900 0.120 0.000 1.213 359 Y CA -0.588 57.591 58.100 0.133 0.000 1.391 359 Y CB 1.058 39.508 38.460 -0.016 0.000 1.293 359 Y HN 0.430 nan 8.280 nan 0.000 0.557 360 M N 2.470 122.239 119.600 0.281 0.000 2.180 360 M HA 0.178 4.659 4.480 0.001 0.000 0.350 360 M C 1.067 177.367 176.300 -0.001 0.000 1.125 360 M CA -0.314 55.069 55.300 0.137 0.000 1.031 360 M CB 1.108 33.770 32.600 0.103 0.000 1.623 360 M HN 0.868 nan 8.290 nan 0.000 0.451 361 S N 1.516 117.171 115.700 -0.075 0.000 2.400 361 S HA -0.213 4.258 4.470 0.001 0.000 0.234 361 S C 1.438 175.912 174.600 -0.210 0.000 1.049 361 S CA 2.305 60.384 58.200 -0.201 0.000 1.039 361 S CB -1.355 61.768 63.200 -0.129 0.000 0.856 361 S HN 0.915 nan 8.310 nan 0.000 0.465 362 T N 0.146 114.612 114.554 -0.146 0.000 2.915 362 T HA 0.002 4.353 4.350 0.001 0.000 0.269 362 T C 1.548 176.107 174.700 -0.235 0.000 1.071 362 T CA 1.133 63.099 62.100 -0.222 0.000 1.132 362 T CB -0.561 68.142 68.868 -0.275 0.000 0.878 362 T HN 0.610 nan 8.240 nan 0.000 0.479 363 E N 1.029 121.114 120.200 -0.191 0.000 2.085 363 E HA -0.070 4.281 4.350 0.001 0.000 0.194 363 E C 2.029 178.388 176.600 -0.401 0.000 0.994 363 E CA 1.432 57.718 56.400 -0.189 0.000 0.801 363 E CB -0.333 29.385 29.700 0.031 0.000 0.743 363 E HN 0.590 nan 8.360 nan 0.000 0.453 364 I N 0.084 120.282 120.570 -0.621 0.000 2.364 364 I HA -0.047 4.124 4.170 0.001 0.000 0.241 364 I C 2.572 178.351 176.117 -0.564 0.000 1.082 364 I CA 0.914 61.671 61.300 -0.905 0.000 1.401 364 I CB -0.441 36.906 38.000 -1.088 0.000 1.126 364 I HN 0.105 nan 8.210 nan 0.000 0.429 365 G N -0.025 108.545 108.800 -0.383 0.000 2.443 365 G HA2 -0.142 3.819 3.960 0.001 0.000 0.219 365 G HA3 -0.142 3.819 3.960 0.001 0.000 0.219 365 G C 1.601 176.391 174.900 -0.183 0.000 1.131 365 G CA 1.356 46.321 45.100 -0.225 0.000 0.775 365 G HN 0.286 nan 8.290 nan 0.000 0.547 366 T N -0.522 113.900 114.554 -0.219 0.000 3.045 366 T HA 0.134 4.485 4.350 0.001 0.000 0.239 366 T C 2.485 177.081 174.700 -0.174 0.000 1.008 366 T CA 0.140 62.131 62.100 -0.183 0.000 1.143 366 T CB 0.211 68.954 68.868 -0.209 0.000 0.894 366 T HN 0.015 nan 8.240 nan 0.000 0.451 367 R N 1.627 122.004 120.500 -0.206 0.000 2.064 367 R HA 0.249 4.590 4.340 0.001 0.000 0.221 367 R C 2.090 178.285 176.300 -0.174 0.000 1.136 367 R CA 0.753 56.746 56.100 -0.178 0.000 0.980 367 R CB -0.956 29.241 30.300 -0.172 0.000 0.876 367 R HN 0.263 nan 8.270 nan 0.000 0.437 368 N N 1.063 119.612 118.700 -0.252 0.000 2.120 368 N HA -0.075 4.666 4.740 0.001 0.000 0.188 368 N C 1.875 177.319 175.510 -0.110 0.000 1.024 368 N CA 1.109 54.009 53.050 -0.251 0.000 0.852 368 N CB -0.094 37.936 38.487 -0.761 0.000 1.003 368 N HN 0.173 nan 8.380 nan 0.000 0.424 369 L N -1.152 119.967 121.223 -0.173 0.000 2.408 369 L HA 0.130 4.471 4.340 0.001 0.000 0.215 369 L C 1.529 178.419 176.870 0.034 0.000 1.081 369 L CA 0.237 55.060 54.840 -0.028 0.000 0.840 369 L CB 0.261 42.276 42.059 -0.073 0.000 1.002 369 L HN 0.119 nan 8.230 nan 0.000 0.468 370 C N -1.197 118.086 119.300 -0.028 0.000 2.735 370 C HA 0.130 4.591 4.460 0.001 0.000 0.271 370 C C 0.753 175.732 174.990 -0.018 0.000 1.281 370 C CA -0.808 58.206 59.018 -0.007 0.000 1.719 370 C CB -0.400 27.324 27.740 -0.028 0.000 2.024 370 C HN 0.320 nan 8.230 nan 0.000 0.566 371 D N 2.109 122.468 120.400 -0.069 0.000 2.472 371 D HA 0.061 4.702 4.640 0.001 0.000 0.237 371 D C -1.531 174.744 176.300 -0.042 0.000 1.141 371 D CA -0.977 52.958 54.000 -0.108 0.000 0.875 371 D CB 0.482 41.074 40.800 -0.346 0.000 1.192 371 D HN 0.147 nan 8.370 nan 0.000 0.450 372 P HA -0.089 nan 4.420 nan 0.000 0.221 372 P C 0.666 178.053 177.300 0.145 0.000 1.150 372 P CA 1.028 64.203 63.100 0.124 0.000 0.800 372 P CB 0.074 31.867 31.700 0.154 0.000 0.787 373 H N -2.729 116.360 119.070 0.031 0.000 2.520 373 H HA 0.341 4.898 4.556 0.001 0.000 0.284 373 H C 0.863 176.211 175.328 0.033 0.000 1.037 373 H CA -0.145 55.919 56.048 0.027 0.000 1.168 373 H CB 0.055 29.832 29.762 0.025 0.000 1.497 373 H HN -0.028 nan 8.280 nan 0.000 0.547 374 R N 0.078 120.462 120.500 -0.194 0.000 2.702 374 R HA 0.164 4.505 4.340 0.001 0.000 0.166 374 R C 1.055 177.353 176.300 -0.004 0.000 1.402 374 R CA -0.674 55.376 56.100 -0.084 0.000 1.077 374 R CB -0.828 29.444 30.300 -0.046 0.000 1.947 374 R HN 0.115 nan 8.270 nan 0.000 0.494 375 Y N 1.527 121.847 120.300 0.033 0.000 2.509 375 Y HA -0.026 4.525 4.550 0.001 0.000 0.293 375 Y C 0.641 176.570 175.900 0.047 0.000 1.133 375 Y CA 0.934 59.070 58.100 0.059 0.000 1.283 375 Y CB -0.186 38.347 38.460 0.123 0.000 1.001 375 Y HN 0.511 nan 8.280 nan 0.000 0.555 376 N N 1.096 119.895 118.700 0.166 0.000 2.667 376 N HA -0.224 4.517 4.740 0.001 0.000 0.263 376 N C 0.397 175.986 175.510 0.132 0.000 1.038 376 N CA 0.520 53.641 53.050 0.118 0.000 0.749 376 N CB -0.994 37.547 38.487 0.090 0.000 0.892 376 N HN 0.639 nan 8.380 nan 0.000 0.546 377 I N -2.965 117.688 120.570 0.139 0.000 3.968 377 I HA 0.042 4.213 4.170 0.001 0.000 0.328 377 I C 1.878 178.078 176.117 0.139 0.000 1.290 377 I CA -0.470 60.907 61.300 0.129 0.000 1.163 377 I CB -0.001 38.072 38.000 0.122 0.000 1.024 377 I HN 0.094 nan 8.210 nan 0.000 0.413 378 L N 1.964 123.284 121.223 0.162 0.000 1.978 378 L HA -0.270 4.071 4.340 0.001 0.000 0.218 378 L C 2.655 179.712 176.870 0.311 0.000 1.075 378 L CA 2.475 57.452 54.840 0.228 0.000 0.767 378 L CB -0.987 41.200 42.059 0.213 0.000 0.890 378 L HN 0.564 nan 8.230 nan 0.000 0.434 379 E N -1.093 119.280 120.200 0.288 0.000 2.031 379 E HA -0.246 4.105 4.350 0.001 0.000 0.193 379 E C 1.848 178.462 176.600 0.024 0.000 0.994 379 E CA 1.455 57.937 56.400 0.137 0.000 0.800 379 E CB -0.102 29.613 29.700 0.024 0.000 0.752 379 E HN 0.477 nan 8.360 nan 0.000 0.447 380 D N 0.197 120.613 120.400 0.028 0.000 2.230 380 D HA -0.231 4.410 4.640 0.001 0.000 0.189 380 D C 2.083 178.367 176.300 -0.026 0.000 1.006 380 D CA 2.128 56.119 54.000 -0.014 0.000 0.853 380 D CB -0.591 40.214 40.800 0.008 0.000 0.959 380 D HN 0.166 nan 8.370 nan 0.000 0.449 381 V N 1.382 121.331 119.914 0.058 0.000 2.332 381 V HA -0.259 3.862 4.120 0.001 0.000 0.248 381 V C 2.528 178.693 176.094 0.118 0.000 1.055 381 V CA 2.007 64.388 62.300 0.135 0.000 1.038 381 V CB -0.851 31.125 31.823 0.255 0.000 0.651 381 V HN 0.246 nan 8.190 nan 0.000 0.450 382 A N -0.572 122.329 122.820 0.134 0.000 1.969 382 A HA -0.102 4.219 4.320 0.001 0.000 0.218 382 A C 2.371 179.934 177.584 -0.035 0.000 1.169 382 A CA 1.725 53.844 52.037 0.137 0.000 0.635 382 A CB -0.499 18.692 19.000 0.319 0.000 0.810 382 A HN 0.338 nan 8.150 nan 0.000 0.445 383 V N -0.795 119.043 119.914 -0.127 0.000 2.379 383 V HA -0.277 3.844 4.120 0.001 0.000 0.245 383 V C 2.615 178.548 176.094 -0.268 0.000 1.044 383 V CA 1.897 64.080 62.300 -0.195 0.000 1.036 383 V CB -0.909 30.796 31.823 -0.197 0.000 0.664 383 V HN 0.724 nan 8.190 nan 0.000 0.453 384 C N -0.282 118.790 119.300 -0.379 0.000 2.413 384 C HA -0.231 4.229 4.460 0.001 0.000 0.276 384 C C 2.763 177.304 174.990 -0.749 0.000 1.236 384 C CA 1.203 59.740 59.018 -0.802 0.000 1.735 384 C CB -1.040 25.906 27.740 -1.323 0.000 2.031 384 C HN 0.510 nan 8.230 nan 0.000 0.474 385 M N 0.013 119.427 119.600 -0.308 0.000 2.549 385 M HA -0.065 4.416 4.480 0.001 0.000 0.260 385 M C 0.582 176.871 176.300 -0.019 0.000 1.076 385 M CA 1.429 56.752 55.300 0.039 0.000 1.090 385 M CB -0.492 32.229 32.600 0.202 0.000 1.418 385 M HN 0.378 nan 8.290 nan 0.000 0.486 386 D N 1.054 121.389 120.400 -0.109 0.000 2.760 386 D HA -0.132 4.509 4.640 0.001 0.000 0.244 386 D C -1.251 175.025 176.300 -0.040 0.000 1.096 386 D CA 0.396 54.342 54.000 -0.089 0.000 0.716 386 D CB -1.093 39.663 40.800 -0.075 0.000 1.075 386 D HN 0.273 nan 8.370 nan 0.000 0.434 387 L N 0.163 121.362 121.223 -0.040 0.000 2.331 387 L HA 0.430 4.771 4.340 0.001 0.000 0.275 387 L C 0.835 177.661 176.870 -0.075 0.000 1.022 387 L CA -1.122 53.719 54.840 0.001 0.000 0.812 387 L CB 1.238 43.360 42.059 0.104 0.000 1.257 387 L HN 0.012 nan 8.230 nan 0.000 0.435 388 D N 1.011 121.392 120.400 -0.031 0.000 2.402 388 D HA -0.045 4.596 4.640 0.001 0.000 0.268 388 D C 0.628 176.815 176.300 -0.187 0.000 1.294 388 D CA 0.527 54.486 54.000 -0.068 0.000 0.945 388 D CB 1.073 41.880 40.800 0.011 0.000 1.112 388 D HN 0.501 nan 8.370 nan 0.000 0.517 389 T N 3.804 118.110 114.554 -0.414 0.000 3.060 389 T HA 0.044 4.395 4.350 0.001 0.000 0.249 389 T C 1.555 175.979 174.700 -0.460 0.000 1.079 389 T CA 0.035 61.572 62.100 -0.939 0.000 1.013 389 T CB 0.234 68.543 68.868 -0.932 0.000 0.975 389 T HN 0.384 nan 8.240 nan 0.000 0.518 390 R N 0.930 121.320 120.500 -0.182 0.000 2.323 390 R HA 0.146 4.487 4.340 0.001 0.000 0.198 390 R C 0.481 176.810 176.300 0.048 0.000 0.988 390 R CA 0.332 56.397 56.100 -0.058 0.000 1.041 390 R CB 0.069 30.341 30.300 -0.047 0.000 0.926 390 R HN 0.099 nan 8.270 nan 0.000 0.476 391 T N -0.778 113.864 114.554 0.147 0.000 3.159 391 T HA 0.068 4.419 4.350 0.001 0.000 0.343 391 T C 0.888 175.775 174.700 0.312 0.000 1.364 391 T CA -0.501 61.712 62.100 0.188 0.000 1.102 391 T CB 1.733 70.669 68.868 0.112 0.000 1.263 391 T HN 0.179 nan 8.240 nan 0.000 0.477 392 T N 0.748 115.422 114.554 0.200 0.000 2.904 392 T HA -0.045 4.306 4.350 0.001 0.000 0.267 392 T C 1.999 176.728 174.700 0.049 0.000 1.059 392 T CA 1.504 63.663 62.100 0.100 0.000 1.137 392 T CB -0.547 68.341 68.868 0.033 0.000 0.879 392 T HN 0.659 nan 8.240 nan 0.000 0.467 393 S N 2.239 117.982 115.700 0.071 0.000 2.547 393 S HA -0.048 4.423 4.470 0.001 0.000 0.235 393 S C 2.042 176.681 174.600 0.065 0.000 0.980 393 S CA 0.714 58.943 58.200 0.050 0.000 0.941 393 S CB -0.740 62.486 63.200 0.044 0.000 0.763 393 S HN 0.778 nan 8.310 nan 0.000 0.532 394 S N 1.402 117.173 115.700 0.118 0.000 2.524 394 S HA 0.307 4.778 4.470 0.001 0.000 0.216 394 S C 0.832 175.497 174.600 0.107 0.000 0.987 394 S CA -0.156 58.121 58.200 0.130 0.000 0.909 394 S CB -0.794 62.521 63.200 0.192 0.000 0.781 394 S HN 0.513 nan 8.310 nan 0.000 0.521 395 L N 1.171 122.416 121.223 0.036 0.000 3.717 395 L HA -0.162 4.178 4.340 0.001 0.000 0.411 395 L C 1.546 178.392 176.870 -0.039 0.000 1.233 395 L CA 0.639 55.439 54.840 -0.067 0.000 0.917 395 L CB -2.466 39.575 42.059 -0.031 0.000 1.902 395 L HN 0.736 nan 8.230 nan 0.000 0.894 396 W N -0.062 121.248 121.300 0.016 0.000 2.392 396 W HA -0.110 4.550 4.660 0.001 0.000 0.279 396 W C 1.665 178.200 176.519 0.026 0.000 1.225 396 W CA 1.150 58.508 57.345 0.021 0.000 1.233 396 W CB -0.646 28.823 29.460 0.016 0.000 1.122 396 W HN 0.313 nan 8.180 nan 0.000 0.561 397 K N 1.094 121.020 120.400 -0.791 0.000 2.025 397 K HA -0.145 4.176 4.320 0.001 0.000 0.207 397 K C 1.505 177.959 176.600 -0.244 0.000 1.049 397 K CA 2.261 58.146 56.287 -0.670 0.000 0.933 397 K CB -0.307 31.637 32.500 -0.928 0.000 0.714 397 K HN 0.045 nan 8.250 nan 0.000 0.438 398 D N 0.756 121.034 120.400 -0.204 0.000 2.149 398 D HA -0.091 4.550 4.640 0.001 0.000 0.201 398 D C 1.645 177.930 176.300 -0.025 0.000 0.972 398 D CA 1.020 54.958 54.000 -0.102 0.000 0.835 398 D CB 0.001 40.747 40.800 -0.090 0.000 0.966 398 D HN 0.075 nan 8.370 nan 0.000 0.476 399 K N 0.534 120.943 120.400 0.014 0.000 2.032 399 K HA -0.074 4.247 4.320 0.001 0.000 0.209 399 K C 2.169 178.828 176.600 0.100 0.000 1.048 399 K CA 1.333 57.661 56.287 0.069 0.000 0.927 399 K CB -0.170 32.392 32.500 0.102 0.000 0.712 399 K HN 0.106 nan 8.250 nan 0.000 0.441 400 A N 1.230 124.130 122.820 0.132 0.000 1.898 400 A HA -0.079 4.242 4.320 0.001 0.000 0.216 400 A C 2.349 180.012 177.584 0.132 0.000 1.181 400 A CA 1.713 53.858 52.037 0.179 0.000 0.620 400 A CB -0.755 18.391 19.000 0.244 0.000 0.819 400 A HN 0.340 nan 8.150 nan 0.000 0.442 401 A N -0.537 122.322 122.820 0.065 0.000 1.948 401 A HA -0.058 4.263 4.320 0.001 0.000 0.220 401 A C 2.230 179.830 177.584 0.027 0.000 1.177 401 A CA 1.951 54.004 52.037 0.025 0.000 0.636 401 A CB -0.877 18.100 19.000 -0.038 0.000 0.815 401 A HN 0.386 nan 8.150 nan 0.000 0.449 402 V N 0.002 119.939 119.914 0.039 0.000 2.307 402 V HA -0.177 3.944 4.120 0.001 0.000 0.245 402 V C 2.574 178.708 176.094 0.066 0.000 1.045 402 V CA 2.040 64.368 62.300 0.045 0.000 1.024 402 V CB -0.671 31.184 31.823 0.052 0.000 0.651 402 V HN 0.496 nan 8.190 nan 0.000 0.449 403 E N 0.153 120.415 120.200 0.103 0.000 2.085 403 E HA -0.210 4.141 4.350 0.001 0.000 0.194 403 E C 2.072 178.727 176.600 0.092 0.000 0.994 403 E CA 1.481 57.968 56.400 0.144 0.000 0.801 403 E CB -0.474 29.289 29.700 0.105 0.000 0.743 403 E HN 0.585 nan 8.360 nan 0.000 0.453 404 I N 1.251 121.899 120.570 0.131 0.000 2.127 404 I HA -0.327 3.844 4.170 0.001 0.000 0.241 404 I C 1.912 178.035 176.117 0.009 0.000 1.075 404 I CA 1.373 62.759 61.300 0.142 0.000 1.334 404 I CB -0.365 37.752 38.000 0.194 0.000 1.040 404 I HN 0.072 nan 8.210 nan 0.000 0.405 405 N N 0.395 119.088 118.700 -0.013 0.000 2.104 405 N HA -0.203 4.538 4.740 0.001 0.000 0.190 405 N C 1.691 177.166 175.510 -0.058 0.000 1.024 405 N CA 1.031 54.051 53.050 -0.049 0.000 0.853 405 N CB -0.257 38.211 38.487 -0.032 0.000 1.008 405 N HN 0.143 nan 8.380 nan 0.000 0.424 406 L N 0.807 121.993 121.223 -0.062 0.000 2.012 406 L HA -0.056 4.285 4.340 0.001 0.000 0.210 406 L C 2.008 178.747 176.870 -0.218 0.000 1.073 406 L CA 1.536 56.297 54.840 -0.131 0.000 0.748 406 L CB -0.935 41.025 42.059 -0.166 0.000 0.891 406 L HN 0.183 nan 8.230 nan 0.000 0.431 407 A N -1.657 120.986 122.820 -0.294 0.000 2.019 407 A HA -0.142 4.179 4.320 0.001 0.000 0.219 407 A C 2.309 179.824 177.584 -0.116 0.000 1.164 407 A CA 1.827 53.634 52.037 -0.385 0.000 0.644 407 A CB -0.897 17.586 19.000 -0.862 0.000 0.805 407 A HN 0.309 nan 8.150 nan 0.000 0.449 408 V N -0.344 119.529 119.914 -0.067 0.000 2.323 408 V HA -0.183 3.938 4.120 0.001 0.000 0.244 408 V C 2.530 178.651 176.094 0.044 0.000 1.041 408 V CA 1.736 64.040 62.300 0.007 0.000 1.025 408 V CB -0.531 31.223 31.823 -0.115 0.000 0.656 408 V HN 0.579 nan 8.190 nan 0.000 0.451 409 L N -0.551 120.657 121.223 -0.025 0.000 1.976 409 L HA -0.228 4.112 4.340 0.001 0.000 0.209 409 L C 2.586 179.491 176.870 0.058 0.000 1.071 409 L CA 2.310 57.148 54.840 -0.004 0.000 0.746 409 L CB -0.851 41.194 42.059 -0.023 0.000 0.890 409 L HN 0.489 nan 8.230 nan 0.000 0.432 410 H N -0.250 118.778 119.070 -0.071 0.000 2.265 410 H HA -0.208 4.349 4.556 0.002 0.000 0.293 410 H C 2.342 177.656 175.328 -0.023 0.000 1.089 410 H CA 2.311 58.307 56.048 -0.086 0.000 1.244 410 H CB -0.131 29.513 29.762 -0.196 0.000 1.355 410 H HN 0.190 nan 8.280 nan 0.000 0.485 411 S N -0.329 115.367 115.700 -0.007 0.000 2.359 411 S HA -0.148 4.323 4.470 0.001 0.000 0.224 411 S C 1.997 176.582 174.600 -0.026 0.000 1.035 411 S CA 1.365 59.545 58.200 -0.034 0.000 1.018 411 S CB -0.559 62.702 63.200 0.101 0.000 0.876 411 S HN 0.334 nan 8.310 nan 0.000 0.448 412 F N 1.878 121.777 119.950 -0.084 0.000 2.102 412 F HA -0.121 4.407 4.527 0.002 0.000 0.298 412 F C 2.708 178.454 175.800 -0.090 0.000 1.105 412 F CA 1.257 59.223 58.000 -0.057 0.000 1.239 412 F CB -0.693 38.295 39.000 -0.020 0.000 0.991 412 F HN 0.206 nan 8.300 nan 0.000 0.474 413 Q N -0.432 119.408 119.800 0.067 0.000 2.124 413 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 413 Q C 2.228 178.165 176.000 -0.104 0.000 0.977 413 Q CA 1.359 57.146 55.803 -0.026 0.000 0.850 413 Q CB -0.395 28.319 28.738 -0.040 0.000 0.901 413 Q HN 0.389 nan 8.270 nan 0.000 0.429 414 L N 0.071 121.175 121.223 -0.199 0.000 2.027 414 L HA -0.091 4.250 4.340 0.001 0.000 0.206 414 L C 1.844 178.625 176.870 -0.147 0.000 1.074 414 L CA 1.637 56.343 54.840 -0.224 0.000 0.745 414 L CB -0.275 41.566 42.059 -0.363 0.000 0.898 414 L HN 0.118 nan 8.230 nan 0.000 0.433 415 A N -1.618 121.113 122.820 -0.147 0.000 2.276 415 A HA 0.056 4.377 4.320 0.001 0.000 0.212 415 A C 0.633 178.152 177.584 -0.109 0.000 1.230 415 A CA -0.050 51.905 52.037 -0.136 0.000 0.844 415 A CB -0.285 18.604 19.000 -0.184 0.000 0.860 415 A HN 0.354 nan 8.150 nan 0.000 0.486 416 K N -1.111 119.239 120.400 -0.084 0.000 3.125 416 K HA -0.120 4.201 4.320 0.001 0.000 0.268 416 K C -0.709 175.864 176.600 -0.045 0.000 1.078 416 K CA 0.768 57.019 56.287 -0.060 0.000 0.775 416 K CB -2.533 29.931 32.500 -0.059 0.000 1.253 416 K HN 0.312 nan 8.250 nan 0.000 0.486 417 V N 1.135 121.040 119.914 -0.015 0.000 2.487 417 V HA 0.219 4.339 4.120 0.001 0.000 0.298 417 V C 0.635 176.833 176.094 0.173 0.000 1.028 417 V CA -0.813 61.515 62.300 0.047 0.000 0.860 417 V CB 2.083 33.880 31.823 -0.042 0.000 0.991 417 V HN 0.308 nan 8.190 nan 0.000 0.427 418 T N 5.963 120.556 114.554 0.064 0.000 2.905 418 T HA 0.334 4.685 4.350 0.001 0.000 0.299 418 T C -0.300 174.441 174.700 0.068 0.000 1.024 418 T CA 0.777 62.822 62.100 -0.093 0.000 1.151 418 T CB 0.120 68.759 68.868 -0.381 0.000 0.987 418 T HN 0.516 nan 8.240 nan 0.000 0.535 419 I N 2.896 123.440 120.570 -0.044 0.000 2.842 419 I HA 0.602 4.773 4.170 0.001 0.000 0.297 419 I C -1.465 174.658 176.117 0.010 0.000 1.380 419 I CA -0.825 60.480 61.300 0.007 0.000 1.018 419 I CB 2.143 40.076 38.000 -0.112 0.000 1.311 419 I HN 0.473 nan 8.210 nan 0.000 0.439 420 V N 5.967 125.957 119.914 0.127 0.000 2.604 420 V HA 0.601 4.722 4.120 0.001 0.000 0.305 420 V C -1.053 175.086 176.094 0.074 0.000 1.043 420 V CA -0.304 62.074 62.300 0.130 0.000 0.888 420 V CB 2.069 34.063 31.823 0.285 0.000 0.995 420 V HN 0.939 nan 8.190 nan 0.000 0.429 421 D N 3.637 124.057 120.400 0.033 0.000 2.383 421 D HA 0.183 4.824 4.640 0.001 0.000 0.248 421 D C 1.179 177.459 176.300 -0.032 0.000 1.170 421 D CA 0.100 54.093 54.000 -0.011 0.000 0.977 421 D CB 0.454 41.213 40.800 -0.068 0.000 1.120 421 D HN 0.718 nan 8.370 nan 0.000 0.481 422 H N -0.592 118.398 119.070 -0.132 0.000 2.495 422 H HA -0.077 4.480 4.556 0.001 0.000 0.287 422 H C 0.982 176.208 175.328 -0.170 0.000 1.033 422 H CA 1.013 56.954 56.048 -0.177 0.000 1.307 422 H CB -0.482 29.120 29.762 -0.267 0.000 1.401 422 H HN 0.497 nan 8.280 nan 0.000 0.555 423 H N 1.393 120.256 119.070 -0.346 0.000 2.307 423 H HA 0.109 4.666 4.556 0.001 0.000 0.303 423 H C 2.529 177.833 175.328 -0.040 0.000 1.073 423 H CA 1.373 57.322 56.048 -0.165 0.000 1.338 423 H CB -0.345 29.288 29.762 -0.214 0.000 1.389 423 H HN 0.489 nan 8.280 nan 0.000 0.503 424 A N 1.523 124.393 122.820 0.083 0.000 1.877 424 A HA -0.108 4.213 4.320 0.001 0.000 0.216 424 A C 2.719 180.372 177.584 0.116 0.000 1.186 424 A CA 1.915 54.006 52.037 0.090 0.000 0.620 424 A CB -0.914 18.129 19.000 0.072 0.000 0.822 424 A HN 0.439 nan 8.150 nan 0.000 0.443 425 A N -0.262 122.627 122.820 0.115 0.000 1.908 425 A HA -0.140 4.181 4.320 0.001 0.000 0.218 425 A C 2.439 180.124 177.584 0.169 0.000 1.181 425 A CA 2.691 54.816 52.037 0.148 0.000 0.627 425 A CB -1.427 17.650 19.000 0.129 0.000 0.818 425 A HN 0.799 nan 8.150 nan 0.000 0.445 426 T N -3.302 111.338 114.554 0.142 0.000 2.951 426 T HA -0.018 4.333 4.350 0.001 0.000 0.268 426 T C 1.672 176.505 174.700 0.221 0.000 1.073 426 T CA 1.137 63.347 62.100 0.184 0.000 1.134 426 T CB -0.498 68.445 68.868 0.125 0.000 0.884 426 T HN 0.031 nan 8.240 nan 0.000 0.479 427 V N 2.742 122.759 119.914 0.171 0.000 2.295 427 V HA -0.178 3.943 4.120 0.001 0.000 0.246 427 V C 3.194 179.378 176.094 0.150 0.000 1.049 427 V CA 2.283 64.671 62.300 0.147 0.000 1.024 427 V CB -0.718 31.172 31.823 0.112 0.000 0.648 427 V HN 0.812 nan 8.190 nan 0.000 0.447 428 S N -0.545 115.254 115.700 0.164 0.000 2.382 428 S HA -0.253 4.218 4.470 0.001 0.000 0.228 428 S C 2.007 176.724 174.600 0.194 0.000 1.027 428 S CA 1.706 60.002 58.200 0.160 0.000 0.991 428 S CB -0.842 62.457 63.200 0.166 0.000 0.823 428 S HN 0.496 nan 8.310 nan 0.000 0.469 429 F N 2.400 122.412 119.950 0.103 0.000 2.126 429 F HA -0.033 4.495 4.527 0.001 0.000 0.299 429 F C 2.368 178.256 175.800 0.148 0.000 1.096 429 F CA 1.495 59.568 58.000 0.123 0.000 1.255 429 F CB -0.375 38.679 39.000 0.090 0.000 0.997 429 F HN 0.118 nan 8.300 nan 0.000 0.479 430 M N -0.110 119.560 119.600 0.117 0.000 2.213 430 M HA -0.176 4.305 4.480 0.001 0.000 0.263 430 M C 2.120 178.395 176.300 -0.041 0.000 1.062 430 M CA 1.489 56.809 55.300 0.033 0.000 1.105 430 M CB -1.177 31.487 32.600 0.107 0.000 1.385 430 M HN 0.091 nan 8.290 nan 0.000 0.417 431 K N -0.531 119.869 120.400 0.000 0.000 2.228 431 K HA -0.140 4.180 4.320 0.001 0.000 0.202 431 K C 1.876 178.453 176.600 -0.038 0.000 1.051 431 K CA 1.376 57.661 56.287 -0.003 0.000 0.960 431 K CB -0.479 32.043 32.500 0.037 0.000 0.743 431 K HN 0.319 nan 8.250 nan 0.000 0.458 432 H N 0.302 119.266 119.070 -0.175 0.000 2.353 432 H HA 0.028 4.585 4.556 0.001 0.000 0.300 432 H C 1.606 176.754 175.328 -0.300 0.000 1.090 432 H CA 2.141 58.050 56.048 -0.232 0.000 1.327 432 H CB -0.131 29.438 29.762 -0.322 0.000 1.383 432 H HN 0.143 nan 8.280 nan 0.000 0.508 433 L N -0.238 120.690 121.223 -0.492 0.000 2.012 433 L HA -0.204 4.137 4.340 0.001 0.000 0.210 433 L C 2.312 179.027 176.870 -0.259 0.000 1.073 433 L CA 1.958 56.556 54.840 -0.403 0.000 0.748 433 L CB -0.541 41.355 42.059 -0.272 0.000 0.891 433 L HN 0.386 nan 8.230 nan 0.000 0.431 434 D N -0.118 120.175 120.400 -0.178 0.000 2.104 434 D HA -0.195 4.446 4.640 0.001 0.000 0.194 434 D C 1.939 178.167 176.300 -0.121 0.000 0.994 434 D CA 1.331 55.263 54.000 -0.114 0.000 0.830 434 D CB 0.099 40.859 40.800 -0.066 0.000 0.959 434 D HN 0.194 nan 8.370 nan 0.000 0.452 435 N N 0.578 119.196 118.700 -0.137 0.000 2.069 435 N HA -0.146 4.595 4.740 0.001 0.000 0.191 435 N C 1.621 177.048 175.510 -0.138 0.000 1.031 435 N CA 0.903 53.893 53.050 -0.100 0.000 0.852 435 N CB -0.383 38.080 38.487 -0.039 0.000 1.018 435 N HN 0.335 nan 8.380 nan 0.000 0.423 436 E N 0.741 120.773 120.200 -0.280 0.000 2.204 436 E HA -0.172 4.179 4.350 0.001 0.000 0.195 436 E C 1.885 178.393 176.600 -0.153 0.000 0.990 436 E CA 0.636 56.877 56.400 -0.264 0.000 0.821 436 E CB -0.108 29.335 29.700 -0.429 0.000 0.750 436 E HN 0.354 nan 8.360 nan 0.000 0.477 437 Q N 1.423 121.142 119.800 -0.134 0.000 2.050 437 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 437 Q C 1.818 177.781 176.000 -0.061 0.000 0.980 437 Q CA 1.711 57.465 55.803 -0.081 0.000 0.840 437 Q CB -0.023 28.672 28.738 -0.071 0.000 0.898 437 Q HN 0.110 nan 8.270 nan 0.000 0.424 438 K N -0.663 119.701 120.400 -0.059 0.000 2.097 438 K HA -0.029 4.292 4.320 0.001 0.000 0.205 438 K C 1.957 178.534 176.600 -0.037 0.000 1.050 438 K CA 1.198 57.460 56.287 -0.042 0.000 0.938 438 K CB -0.209 32.270 32.500 -0.034 0.000 0.718 438 K HN 0.261 nan 8.250 nan 0.000 0.442 439 A N 0.819 123.614 122.820 -0.040 0.000 1.898 439 A HA -0.033 4.288 4.320 0.001 0.000 0.214 439 A C 1.793 179.359 177.584 -0.030 0.000 1.183 439 A CA 1.140 53.164 52.037 -0.022 0.000 0.622 439 A CB 0.040 19.040 19.000 -0.000 0.000 0.824 439 A HN 0.140 nan 8.150 nan 0.000 0.444 440 R N -3.035 117.437 120.500 -0.047 0.000 2.544 440 R HA 0.252 4.593 4.340 0.001 0.000 0.303 440 R C 0.966 177.247 176.300 -0.032 0.000 0.939 440 R CA 0.617 56.695 56.100 -0.037 0.000 1.102 440 R CB 0.848 31.120 30.300 -0.047 0.000 1.440 440 R HN 0.701 nan 8.270 nan 0.000 0.532 441 G N 0.634 109.409 108.800 -0.040 0.000 2.157 441 G HA2 -0.199 3.762 3.960 0.001 0.000 0.239 441 G HA3 -0.199 3.762 3.960 0.001 0.000 0.239 441 G C 0.243 175.142 174.900 -0.002 0.000 0.982 441 G CA -0.004 45.072 45.100 -0.039 0.000 0.650 441 G HN 0.721 nan 8.290 nan 0.000 0.527 442 G N -2.243 106.562 108.800 0.007 0.000 2.323 442 G HA2 0.558 4.519 3.960 0.001 0.000 0.291 442 G HA3 0.558 4.519 3.960 0.001 0.000 0.291 442 G C -1.119 173.792 174.900 0.018 0.000 1.278 442 G CA 0.407 45.536 45.100 0.049 0.000 0.860 442 G HN 1.789 nan 8.290 nan 0.000 0.504 443 C N 1.973 121.310 119.300 0.061 0.000 2.817 443 C HA 0.698 5.159 4.460 0.001 0.000 0.385 443 C C -2.540 172.418 174.990 -0.053 0.000 1.050 443 C CA -1.081 57.922 59.018 -0.025 0.000 1.245 443 C CB 1.243 28.919 27.740 -0.107 0.000 1.706 443 C HN 0.686 nan 8.230 nan 0.000 0.488 444 P HA 0.410 nan 4.420 nan 0.000 0.268 444 P C -0.739 176.449 177.300 -0.187 0.000 1.204 444 P CA 0.515 63.207 63.100 -0.680 0.000 0.768 444 P CB 1.084 32.218 31.700 -0.942 0.000 0.842 445 A N 2.194 124.969 122.820 -0.074 0.000 2.513 445 A HA 0.376 4.697 4.320 0.001 0.000 0.296 445 A C -1.300 176.341 177.584 0.096 0.000 1.052 445 A CA -0.568 51.525 52.037 0.094 0.000 0.714 445 A CB 1.232 20.391 19.000 0.266 0.000 1.279 445 A HN 0.470 nan 8.150 nan 0.000 0.397 446 D N 1.984 122.433 120.400 0.081 0.000 2.454 446 D HA 0.179 4.820 4.640 0.001 0.000 0.225 446 D C 0.665 177.093 176.300 0.212 0.000 1.081 446 D CA -0.387 53.688 54.000 0.125 0.000 0.864 446 D CB 0.607 41.423 40.800 0.027 0.000 1.040 446 D HN 0.626 nan 8.370 nan 0.000 0.517 447 W N 4.248 125.591 121.300 0.072 0.000 2.358 447 W HA -0.181 4.480 4.660 0.002 0.000 0.303 447 W C 1.936 178.499 176.519 0.073 0.000 1.208 447 W CA 1.929 59.307 57.345 0.054 0.000 1.274 447 W CB 0.083 29.555 29.460 0.019 0.000 1.138 447 W HN 0.560 nan 8.180 nan 0.000 0.515 448 A N -1.108 121.989 122.820 0.463 0.000 2.019 448 A HA -0.194 4.127 4.320 0.001 0.000 0.219 448 A C 1.462 179.117 177.584 0.118 0.000 1.164 448 A CA 1.602 53.835 52.037 0.327 0.000 0.644 448 A CB -1.226 17.997 19.000 0.372 0.000 0.805 448 A HN 0.533 nan 8.150 nan 0.000 0.449 449 W N -0.947 120.317 121.300 -0.059 0.000 2.704 449 W HA 0.218 4.879 4.660 0.001 0.000 0.266 449 W C 1.833 178.239 176.519 -0.190 0.000 1.266 449 W CA -0.082 57.204 57.345 -0.097 0.000 1.377 449 W CB 0.013 29.439 29.460 -0.056 0.000 1.082 449 W HN 0.143 nan 8.180 nan 0.000 0.608 450 I N -0.260 120.263 120.570 -0.079 0.000 2.480 450 I HA -0.042 4.129 4.170 0.001 0.000 0.251 450 I C 0.579 176.492 176.117 -0.341 0.000 1.124 450 I CA 0.738 61.866 61.300 -0.287 0.000 1.444 450 I CB -1.349 36.415 38.000 -0.393 0.000 1.098 450 I HN -0.423 nan 8.210 nan 0.000 0.428 451 V N 4.035 123.669 119.914 -0.467 0.000 2.521 451 V HA 0.095 4.216 4.120 0.001 0.000 0.286 451 V C -1.906 174.016 176.094 -0.286 0.000 1.034 451 V CA -1.044 60.988 62.300 -0.447 0.000 1.045 451 V CB 0.051 31.404 31.823 -0.783 0.000 0.974 451 V HN 0.115 nan 8.190 nan 0.000 0.480 452 P HA 0.166 nan 4.420 nan 0.000 0.270 452 P C -2.018 175.144 177.300 -0.229 0.000 1.223 452 P CA -1.085 61.884 63.100 -0.218 0.000 0.785 452 P CB 0.013 31.584 31.700 -0.214 0.000 0.923 453 P HA 0.068 nan 4.420 nan 0.000 0.236 453 P C 0.059 177.234 177.300 -0.207 0.000 1.177 453 P CA 0.830 63.801 63.100 -0.214 0.000 0.773 453 P CB -0.086 31.483 31.700 -0.217 0.000 0.878 454 I N -7.098 113.308 120.570 -0.272 0.000 2.785 454 I HA 0.539 4.710 4.170 0.001 0.000 0.302 454 I C -0.062 175.921 176.117 -0.224 0.000 1.069 454 I CA -1.251 59.906 61.300 -0.238 0.000 1.045 454 I CB 1.958 39.805 38.000 -0.254 0.000 1.236 454 I HN -0.417 nan 8.210 nan 0.000 0.429 455 S N 2.236 117.855 115.700 -0.135 0.000 3.641 455 S HA -0.176 4.295 4.470 0.001 0.000 0.346 455 S C 1.306 175.852 174.600 -0.091 0.000 1.074 455 S CA 0.777 58.935 58.200 -0.070 0.000 1.026 455 S CB -1.513 61.715 63.200 0.047 0.000 0.908 455 S HN 1.233 nan 8.310 nan 0.000 0.479 456 G N 2.058 110.763 108.800 -0.159 0.000 2.491 456 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 456 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 456 G C 1.482 176.218 174.900 -0.274 0.000 1.180 456 G CA 1.419 46.430 45.100 -0.150 0.000 0.774 456 G HN 1.189 nan 8.290 nan 0.000 0.562 457 S N -0.105 115.144 115.700 -0.751 0.000 2.515 457 S HA 0.081 4.552 4.470 0.001 0.000 0.231 457 S C 2.034 176.564 174.600 -0.116 0.000 0.987 457 S CA 0.588 58.240 58.200 -0.913 0.000 0.936 457 S CB -0.109 62.385 63.200 -1.177 0.000 0.766 457 S HN 0.035 nan 8.310 nan 0.000 0.528 458 L N 2.559 123.758 121.223 -0.040 0.000 2.552 458 L HA 0.239 4.580 4.340 0.001 0.000 0.227 458 L C 1.362 178.354 176.870 0.204 0.000 1.146 458 L CA 0.750 55.658 54.840 0.114 0.000 0.858 458 L CB -1.214 40.933 42.059 0.148 0.000 0.969 458 L HN 0.626 nan 8.230 nan 0.000 0.451 459 T N -4.469 110.199 114.554 0.191 0.000 2.945 459 T HA 0.423 4.774 4.350 0.001 0.000 0.286 459 T C -1.920 172.953 174.700 0.289 0.000 1.025 459 T CA -1.832 60.402 62.100 0.224 0.000 1.039 459 T CB 2.083 71.041 68.868 0.149 0.000 1.068 459 T HN -0.154 nan 8.240 nan 0.000 0.497 460 P HA 0.051 nan 4.420 nan 0.000 0.236 460 P C 1.736 179.243 177.300 0.344 0.000 1.177 460 P CA 0.280 63.581 63.100 0.335 0.000 0.773 460 P CB -0.318 31.520 31.700 0.230 0.000 0.878 461 V N -3.527 116.539 119.914 0.254 0.000 2.515 461 V HA -0.199 3.921 4.120 0.001 0.000 0.250 461 V C 2.287 178.499 176.094 0.195 0.000 1.058 461 V CA 1.119 63.539 62.300 0.200 0.000 1.064 461 V CB -2.255 29.614 31.823 0.077 0.000 0.675 461 V HN -0.102 nan 8.190 nan 0.000 0.461 462 F N 1.765 121.721 119.950 0.010 0.000 2.147 462 F HA -0.228 4.300 4.527 0.001 0.000 0.301 462 F C 2.411 178.319 175.800 0.180 0.000 1.084 462 F CA 2.388 60.392 58.000 0.006 0.000 1.268 462 F CB -0.233 38.661 39.000 -0.178 0.000 1.009 462 F HN 0.300 nan 8.300 nan 0.000 0.486 463 H N -1.276 118.075 119.070 0.469 0.000 2.539 463 H HA 0.123 4.680 4.556 0.001 0.000 0.269 463 H C 0.233 175.783 175.328 0.370 0.000 0.980 463 H CA 0.147 56.428 56.048 0.388 0.000 1.152 463 H CB -0.048 29.939 29.762 0.375 0.000 1.407 463 H HN 0.242 nan 8.280 nan 0.000 0.564 464 Q N 2.006 122.077 119.800 0.451 0.000 2.340 464 Q HA 0.158 4.499 4.340 0.001 0.000 0.259 464 Q C -0.539 175.694 176.000 0.388 0.000 0.964 464 Q CA -0.416 55.611 55.803 0.373 0.000 0.900 464 Q CB 0.777 29.706 28.738 0.319 0.000 1.228 464 Q HN 0.220 nan 8.270 nan 0.000 0.449 465 E N 3.262 123.636 120.200 0.291 0.000 2.418 465 E HA 0.220 4.571 4.350 0.001 0.000 0.261 465 E C -0.510 176.230 176.600 0.232 0.000 1.070 465 E CA 0.465 56.992 56.400 0.212 0.000 0.931 465 E CB 0.703 30.507 29.700 0.174 0.000 0.954 465 E HN 0.600 nan 8.360 nan 0.000 0.439 466 M N 1.384 121.119 119.600 0.225 0.000 2.421 466 M HA 0.325 4.806 4.480 0.001 0.000 0.287 466 M C -1.341 175.074 176.300 0.191 0.000 1.183 466 M CA -0.866 54.579 55.300 0.242 0.000 0.916 466 M CB 2.378 35.180 32.600 0.337 0.000 1.701 466 M HN 0.148 nan 8.290 nan 0.000 0.470 467 V N 2.035 122.068 119.914 0.198 0.000 2.435 467 V HA 0.514 4.635 4.120 0.001 0.000 0.290 467 V C -0.567 175.646 176.094 0.198 0.000 1.030 467 V CA -0.693 61.751 62.300 0.240 0.000 0.881 467 V CB 1.780 33.808 31.823 0.341 0.000 0.983 467 V HN 0.793 nan 8.190 nan 0.000 0.445 468 N N 3.472 122.287 118.700 0.193 0.000 2.321 468 N HA 0.702 5.443 4.740 0.001 0.000 0.299 468 N C -1.294 174.325 175.510 0.181 0.000 1.048 468 N CA -0.378 52.699 53.050 0.045 0.000 0.836 468 N CB 1.713 40.231 38.487 0.050 0.000 1.269 468 N HN 0.676 nan 8.380 nan 0.000 0.486 469 Y N -0.236 120.085 120.300 0.035 0.000 2.732 469 Y HA 0.467 5.018 4.550 0.001 0.000 0.342 469 Y C -1.336 174.574 175.900 0.017 0.000 1.203 469 Y CA -1.174 56.941 58.100 0.025 0.000 1.092 469 Y CB 0.573 39.052 38.460 0.031 0.000 1.345 469 Y HN 0.231 nan 8.280 nan 0.000 0.458 470 I N 3.739 124.420 120.570 0.186 0.000 2.304 470 I HA 0.392 4.563 4.170 0.001 0.000 0.291 470 I C -0.606 175.592 176.117 0.136 0.000 1.018 470 I CA -0.474 60.879 61.300 0.089 0.000 1.260 470 I CB 0.848 38.886 38.000 0.063 0.000 1.390 470 I HN 0.425 nan 8.210 nan 0.000 0.475 471 L N 4.959 126.232 121.223 0.082 0.000 2.334 471 L HA 0.520 4.861 4.340 0.001 0.000 0.272 471 L C 0.229 177.116 176.870 0.028 0.000 1.020 471 L CA -0.481 54.409 54.840 0.084 0.000 0.812 471 L CB 1.868 43.974 42.059 0.078 0.000 1.264 471 L HN 0.524 nan 8.230 nan 0.000 0.439 472 S N 1.280 117.005 115.700 0.042 0.000 2.537 472 S HA 0.605 5.076 4.470 0.001 0.000 0.301 472 S C -2.527 172.101 174.600 0.046 0.000 1.092 472 S CA -1.480 56.733 58.200 0.022 0.000 1.048 472 S CB 1.629 64.858 63.200 0.048 0.000 1.053 472 S HN 0.253 nan 8.310 nan 0.000 0.501 473 P HA 0.331 nan 4.420 nan 0.000 0.265 473 P C -1.357 175.825 177.300 -0.195 0.000 1.187 473 P CA 0.028 63.057 63.100 -0.120 0.000 0.766 473 P CB 0.499 32.093 31.700 -0.176 0.000 0.820 474 A N 2.322 124.997 122.820 -0.243 0.000 2.539 474 A HA 0.700 5.020 4.320 0.001 0.000 0.296 474 A C -1.325 176.055 177.584 -0.340 0.000 1.073 474 A CA -0.515 51.381 52.037 -0.234 0.000 0.700 474 A CB 0.815 19.767 19.000 -0.079 0.000 1.296 474 A HN 0.291 nan 8.150 nan 0.000 0.405 475 F N 1.163 121.088 119.950 -0.042 0.000 2.394 475 F HA 0.605 5.133 4.527 0.001 0.000 0.340 475 F C 1.138 176.946 175.800 0.014 0.000 1.105 475 F CA 0.213 58.202 58.000 -0.018 0.000 1.124 475 F CB 1.279 40.239 39.000 -0.067 0.000 1.145 475 F HN 0.477 nan 8.300 nan 0.000 0.505 476 R N 1.533 122.168 120.500 0.225 0.000 2.803 476 R HA 0.292 4.633 4.340 0.001 0.000 0.276 476 R C -1.377 175.029 176.300 0.177 0.000 0.978 476 R CA -1.219 54.975 56.100 0.157 0.000 0.939 476 R CB 2.175 32.533 30.300 0.096 0.000 1.179 476 R HN 0.606 nan 8.270 nan 0.000 0.472 477 Y N 2.519 122.847 120.300 0.046 0.000 2.411 477 Y HA 0.018 4.569 4.550 0.002 0.000 0.333 477 Y C -0.132 175.777 175.900 0.014 0.000 1.186 477 Y CA 0.446 58.563 58.100 0.029 0.000 1.381 477 Y CB 0.769 39.230 38.460 0.002 0.000 1.273 477 Y HN 0.462 nan 8.280 nan 0.000 0.546 478 Q N 6.716 126.132 119.800 -0.640 0.000 2.423 478 Q HA 0.619 4.960 4.340 0.001 0.000 0.278 478 Q C -3.069 172.555 176.000 -0.628 0.000 1.097 478 Q CA -2.491 53.062 55.803 -0.417 0.000 0.809 478 Q CB 2.509 31.111 28.738 -0.227 0.000 1.391 478 Q HN 0.375 nan 8.270 nan 0.000 0.428 479 P HA 0.139 nan 4.420 nan 0.000 0.279 479 P C -0.862 176.191 177.300 -0.412 0.000 1.239 479 P CA -0.217 62.712 63.100 -0.284 0.000 0.789 479 P CB 0.572 32.176 31.700 -0.161 0.000 0.933 480 D N 3.951 124.030 120.400 -0.535 0.000 2.648 480 D HA -0.046 4.595 4.640 0.001 0.000 0.229 480 D C -1.117 174.638 176.300 -0.910 0.000 1.119 480 D CA -0.350 53.114 54.000 -0.894 0.000 0.850 480 D CB -0.092 39.856 40.800 -1.420 0.000 1.169 480 D HN 0.316 nan 8.370 nan 0.000 0.489 481 P HA 0.038 nan 4.420 nan 0.000 0.247 481 P C -0.427 176.608 177.300 -0.442 0.000 1.225 481 P CA 0.262 63.029 63.100 -0.554 0.000 0.768 481 P CB -0.236 31.125 31.700 -0.566 0.000 1.020 482 W N 0.000 120.967 121.300 -0.554 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.132 57.345 -0.355 0.000 1.226 482 W CB 0.000 29.176 29.460 -0.474 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535