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 7nse_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.374 176.600 -0.376 0.000 0.988 69 K CA 0.000 56.045 56.287 -0.403 0.000 0.838 69 K CB 0.000 32.061 32.500 -0.731 0.000 1.064 70 F N 5.474 125.425 119.950 0.002 0.000 2.413 70 F HA 0.261 4.789 4.527 0.001 0.000 0.359 70 F C -1.959 173.913 175.800 0.121 0.000 1.122 70 F CA -2.462 55.560 58.000 0.036 0.000 1.160 70 F CB -0.021 38.992 39.000 0.020 0.000 1.146 70 F HN -0.023 nan 8.300 nan 0.000 0.514 71 P HA 0.004 nan 4.420 nan 0.000 0.267 71 P C -0.320 177.103 177.300 0.205 0.000 1.209 71 P CA -0.293 62.919 63.100 0.187 0.000 0.763 71 P CB 0.720 32.494 31.700 0.124 0.000 0.816 72 R N 3.135 123.725 120.500 0.150 0.000 2.248 72 R HA 0.346 4.687 4.340 0.001 0.000 0.328 72 R C -0.792 175.459 176.300 -0.081 0.000 1.067 72 R CA -0.420 55.633 56.100 -0.078 0.000 0.924 72 R CB 0.331 30.623 30.300 -0.013 0.000 1.013 72 R HN 0.263 nan 8.270 nan 0.000 0.454 73 V N 4.566 124.393 119.914 -0.146 0.000 2.630 73 V HA 0.470 4.591 4.120 0.001 0.000 0.305 73 V C -0.266 175.759 176.094 -0.114 0.000 1.046 73 V CA -0.756 61.512 62.300 -0.054 0.000 0.934 73 V CB 1.677 33.502 31.823 0.004 0.000 1.003 73 V HN 0.759 nan 8.190 nan 0.000 0.451 74 K N 2.755 123.116 120.400 -0.066 0.000 2.464 74 K HA 0.397 4.718 4.320 0.001 0.000 0.253 74 K C -1.202 175.315 176.600 -0.139 0.000 0.933 74 K CA -0.703 55.467 56.287 -0.195 0.000 0.801 74 K CB 2.048 34.301 32.500 -0.413 0.000 1.271 74 K HN 0.726 nan 8.250 nan 0.000 0.430 75 N N 3.913 122.514 118.700 -0.164 0.000 2.457 75 N HA 0.109 4.850 4.740 0.001 0.000 0.250 75 N C -0.138 175.301 175.510 -0.119 0.000 0.982 75 N CA -0.321 52.728 53.050 -0.002 0.000 0.941 75 N CB 0.453 38.968 38.487 0.047 0.000 1.120 75 N HN 0.660 nan 8.380 nan 0.000 0.505 76 W N 2.070 123.456 121.300 0.143 0.000 2.519 76 W HA 0.028 4.689 4.660 0.002 0.000 0.266 76 W C 2.126 178.694 176.519 0.082 0.000 1.253 76 W CA 0.162 57.580 57.345 0.121 0.000 1.274 76 W CB 0.161 29.722 29.460 0.168 0.000 1.114 76 W HN 0.658 nan 8.180 nan 0.000 0.596 77 E N 0.381 120.717 120.200 0.227 0.000 2.158 77 E HA -0.118 4.233 4.350 0.001 0.000 0.191 77 E C 1.558 178.181 176.600 0.039 0.000 0.982 77 E CA 1.023 57.466 56.400 0.072 0.000 0.823 77 E CB -0.135 29.581 29.700 0.027 0.000 0.766 77 E HN 0.290 nan 8.360 nan 0.000 0.468 78 L N -1.310 119.931 121.223 0.030 0.000 2.731 78 L HA 0.382 4.723 4.340 0.001 0.000 0.240 78 L C 1.444 178.289 176.870 -0.042 0.000 1.120 78 L CA 0.263 55.102 54.840 -0.002 0.000 0.913 78 L CB 0.852 42.914 42.059 0.006 0.000 1.213 78 L HN 0.313 nan 8.230 nan 0.000 0.515 79 G N 0.964 109.711 108.800 -0.088 0.000 2.189 79 G HA2 -0.341 3.620 3.960 0.001 0.000 0.267 79 G HA3 -0.341 3.620 3.960 0.001 0.000 0.267 79 G C 0.464 175.263 174.900 -0.167 0.000 0.975 79 G CA 0.565 45.568 45.100 -0.161 0.000 0.644 79 G HN 0.495 nan 8.290 nan 0.000 0.537 80 S N -0.546 115.078 115.700 -0.127 0.000 2.585 80 S HA 0.708 5.178 4.470 0.001 0.000 0.273 80 S C 0.149 174.653 174.600 -0.160 0.000 1.339 80 S CA -0.262 57.871 58.200 -0.112 0.000 1.028 80 S CB 1.839 64.999 63.200 -0.067 0.000 0.906 80 S HN 0.642 nan 8.310 nan 0.000 0.528 81 I N 1.540 122.016 120.570 -0.157 0.000 2.647 81 I HA 0.545 4.716 4.170 0.001 0.000 0.295 81 I C -0.281 175.700 176.117 -0.227 0.000 1.078 81 I CA -0.497 60.670 61.300 -0.222 0.000 1.048 81 I CB 2.711 40.560 38.000 -0.253 0.000 1.239 81 I HN 0.995 nan 8.210 nan 0.000 0.421 82 T N 0.794 115.171 114.554 -0.295 0.000 2.900 82 T HA 0.582 4.933 4.350 0.001 0.000 0.303 82 T C -1.375 173.108 174.700 -0.362 0.000 1.142 82 T CA -0.782 61.175 62.100 -0.238 0.000 1.007 82 T CB 1.419 70.229 68.868 -0.097 0.000 1.156 82 T HN 0.249 nan 8.240 nan 0.000 0.490 83 Y N 0.950 121.241 120.300 -0.014 0.000 2.328 83 Y HA 0.436 4.987 4.550 0.001 0.000 0.337 83 Y C 0.304 176.188 175.900 -0.027 0.000 0.966 83 Y CA -0.944 57.154 58.100 -0.003 0.000 1.136 83 Y CB 1.366 39.815 38.460 -0.018 0.000 1.170 83 Y HN 0.712 nan 8.280 nan 0.000 0.470 84 D N 2.420 122.906 120.400 0.143 0.000 2.336 84 D HA 0.046 4.687 4.640 0.001 0.000 0.249 84 D C 0.725 177.059 176.300 0.057 0.000 1.213 84 D CA 0.219 54.268 54.000 0.082 0.000 0.870 84 D CB 1.130 41.989 40.800 0.099 0.000 1.076 84 D HN 0.775 nan 8.370 nan 0.000 0.483 85 T N 1.083 115.593 114.554 -0.074 0.000 3.023 85 T HA -0.024 4.327 4.350 0.001 0.000 0.253 85 T C 1.711 176.369 174.700 -0.070 0.000 1.038 85 T CA -0.310 61.673 62.100 -0.196 0.000 0.962 85 T CB 0.126 68.695 68.868 -0.499 0.000 1.018 85 T HN 0.245 nan 8.240 nan 0.000 0.521 86 L N 2.289 123.478 121.223 -0.057 0.000 2.291 86 L HA 0.151 4.492 4.340 0.001 0.000 0.214 86 L C 2.459 179.220 176.870 -0.182 0.000 1.120 86 L CA 0.832 55.656 54.840 -0.027 0.000 0.799 86 L CB -0.807 41.310 42.059 0.097 0.000 0.925 86 L HN 0.651 nan 8.230 nan 0.000 0.446 87 C N -1.996 117.009 119.300 -0.491 0.000 2.437 87 C HA 0.193 4.654 4.460 0.001 0.000 0.283 87 C C 2.728 177.539 174.990 -0.299 0.000 1.424 87 C CA 0.076 58.560 59.018 -0.890 0.000 1.782 87 C CB -2.114 25.079 27.740 -0.911 0.000 1.833 87 C HN 0.549 nan 8.230 nan 0.000 0.532 88 A N 0.650 123.423 122.820 -0.078 0.000 2.066 88 A HA -0.063 4.258 4.320 0.001 0.000 0.218 88 A C 2.256 179.850 177.584 0.016 0.000 1.157 88 A CA 1.248 53.299 52.037 0.024 0.000 0.670 88 A CB -0.363 18.740 19.000 0.172 0.000 0.804 88 A HN 0.684 nan 8.150 nan 0.000 0.453 89 Q N 0.204 120.011 119.800 0.013 0.000 2.451 89 Q HA 0.079 4.419 4.340 0.001 0.000 0.206 89 Q C 0.766 176.803 176.000 0.062 0.000 0.947 89 Q CA 0.390 56.220 55.803 0.045 0.000 0.937 89 Q CB -0.676 28.098 28.738 0.061 0.000 1.025 89 Q HN 0.470 nan 8.270 nan 0.000 0.511 90 S N 1.210 116.942 115.700 0.054 0.000 2.516 90 S HA 0.034 4.505 4.470 0.001 0.000 0.282 90 S C 0.848 175.485 174.600 0.062 0.000 1.286 90 S CA -0.086 58.171 58.200 0.096 0.000 1.066 90 S CB 0.525 63.800 63.200 0.125 0.000 0.884 90 S HN 0.109 nan 8.310 nan 0.000 0.491 91 Q N 2.331 122.170 119.800 0.064 0.000 2.391 91 Q HA 0.233 4.574 4.340 0.001 0.000 0.243 91 Q C 0.167 176.193 176.000 0.044 0.000 0.874 91 Q CA 0.367 56.199 55.803 0.048 0.000 0.950 91 Q CB 0.116 28.883 28.738 0.048 0.000 1.103 91 Q HN 0.657 nan 8.270 nan 0.000 0.544 92 Q N 1.499 121.329 119.800 0.050 0.000 2.259 92 Q HA 0.167 4.508 4.340 0.001 0.000 0.249 92 Q C -0.870 175.159 176.000 0.048 0.000 0.914 92 Q CA 0.081 55.909 55.803 0.041 0.000 0.904 92 Q CB 1.150 29.908 28.738 0.034 0.000 1.213 92 Q HN 0.082 nan 8.270 nan 0.000 0.428 93 D N 0.900 121.323 120.400 0.038 0.000 2.210 93 D HA 0.427 5.068 4.640 0.001 0.000 0.249 93 D C 0.161 176.486 176.300 0.041 0.000 1.062 93 D CA -0.072 53.951 54.000 0.040 0.000 0.891 93 D CB 1.450 42.268 40.800 0.029 0.000 1.186 93 D HN 0.633 nan 8.370 nan 0.000 0.432 94 G N 0.739 109.567 108.800 0.047 0.000 2.531 94 G HA2 0.348 4.308 3.960 0.001 0.000 0.281 94 G HA3 0.348 4.308 3.960 0.001 0.000 0.281 94 G C -1.477 173.446 174.900 0.038 0.000 1.382 94 G CA -0.597 44.530 45.100 0.046 0.000 1.045 94 G HN 0.352 nan 8.290 nan 0.000 0.533 95 P HA 0.152 nan 4.420 nan 0.000 0.239 95 P C 0.367 177.685 177.300 0.030 0.000 1.188 95 P CA -0.032 63.088 63.100 0.033 0.000 0.794 95 P CB 0.158 31.880 31.700 0.036 0.000 0.937 96 C N 1.155 120.475 119.300 0.034 0.000 2.595 96 C HA 0.533 4.994 4.460 0.001 0.000 0.384 96 C C 1.134 176.138 174.990 0.023 0.000 1.289 96 C CA 0.248 59.283 59.018 0.029 0.000 2.372 96 C CB 0.456 28.217 27.740 0.035 0.000 2.593 96 C HN 0.412 nan 8.230 nan 0.000 0.639 97 T N -1.292 113.273 114.554 0.017 0.000 2.816 97 T HA 0.417 4.768 4.350 0.001 0.000 0.299 97 T C -2.506 172.200 174.700 0.009 0.000 1.230 97 T CA -1.012 61.096 62.100 0.012 0.000 1.007 97 T CB 1.243 70.116 68.868 0.009 0.000 1.289 97 T HN 0.251 nan 8.240 nan 0.000 0.508 98 P HA 0.044 nan 4.420 nan 0.000 0.218 98 P C 1.599 178.900 177.300 0.002 0.000 1.149 98 P CA 0.549 63.650 63.100 0.003 0.000 0.817 98 P CB 0.121 31.821 31.700 0.000 0.000 0.785 99 R N 0.093 120.595 120.500 0.002 0.000 2.066 99 R HA -0.091 4.250 4.340 0.001 0.000 0.232 99 R C 0.587 176.888 176.300 0.002 0.000 1.131 99 R CA 1.159 57.260 56.100 0.002 0.000 0.955 99 R CB 0.093 30.394 30.300 0.002 0.000 0.851 99 R HN 0.077 nan 8.270 nan 0.000 0.432 100 R N -0.015 120.487 120.500 0.004 0.000 2.643 100 R HA 0.177 4.518 4.340 0.001 0.000 0.269 100 R C -1.709 174.596 176.300 0.008 0.000 1.037 100 R CA -0.795 55.307 56.100 0.004 0.000 0.894 100 R CB 0.165 30.468 30.300 0.004 0.000 1.238 100 R HN 0.127 nan 8.270 nan 0.000 0.459 101 C N 3.391 122.696 119.300 0.008 0.000 2.347 101 C HA 0.557 5.018 4.460 0.001 0.000 0.353 101 C C 0.312 175.313 174.990 0.019 0.000 1.273 101 C CA -0.602 58.424 59.018 0.014 0.000 1.861 101 C CB -0.541 27.204 27.740 0.007 0.000 2.420 101 C HN 0.685 nan 8.230 nan 0.000 0.542 102 L N 5.931 127.171 121.223 0.028 0.000 2.910 102 L HA 0.354 4.694 4.340 0.001 0.000 0.252 102 L C 2.074 178.976 176.870 0.052 0.000 1.195 102 L CA 0.846 55.707 54.840 0.035 0.000 1.003 102 L CB -0.218 41.860 42.059 0.031 0.000 1.328 102 L HN 1.059 nan 8.230 nan 0.000 0.540 103 G N -0.703 108.130 108.800 0.056 0.000 2.479 103 G HA2 -0.280 3.681 3.960 0.001 0.000 0.220 103 G HA3 -0.280 3.681 3.960 0.001 0.000 0.220 103 G C 1.524 176.493 174.900 0.115 0.000 1.115 103 G CA 1.096 46.243 45.100 0.079 0.000 0.757 103 G HN 0.501 nan 8.290 nan 0.000 0.560 104 S N -0.166 115.597 115.700 0.105 0.000 2.603 104 S HA 0.295 4.766 4.470 0.001 0.000 0.220 104 S C 0.845 175.534 174.600 0.149 0.000 0.967 104 S CA -0.517 57.765 58.200 0.137 0.000 0.920 104 S CB -0.280 62.976 63.200 0.093 0.000 0.773 104 S HN 0.154 nan 8.310 nan 0.000 0.529 105 L N 2.029 123.325 121.223 0.123 0.000 2.305 105 L HA 0.299 4.639 4.340 0.001 0.000 0.281 105 L C 1.455 178.417 176.870 0.155 0.000 1.085 105 L CA -0.601 54.306 54.840 0.111 0.000 0.813 105 L CB 1.206 43.305 42.059 0.067 0.000 1.157 105 L HN 0.019 nan 8.230 nan 0.000 0.436 106 V N 4.318 124.337 119.914 0.174 0.000 2.295 106 V HA -0.181 3.940 4.120 0.001 0.000 0.246 106 V C 0.626 176.755 176.094 0.058 0.000 1.049 106 V CA 1.542 63.978 62.300 0.228 0.000 1.024 106 V CB -0.493 31.472 31.823 0.237 0.000 0.648 106 V HN 0.715 nan 8.190 nan 0.000 0.447 107 L N -1.644 119.564 121.223 -0.025 0.000 2.617 107 L HA 0.625 4.965 4.340 0.001 0.000 0.259 107 L C -3.082 173.769 176.870 -0.030 0.000 0.995 107 L CA -1.448 53.340 54.840 -0.087 0.000 0.899 107 L CB 0.559 42.413 42.059 -0.341 0.000 1.181 107 L HN -0.120 nan 8.230 nan 0.000 0.437 108 P HA 0.420 nan 4.420 nan 0.000 0.278 108 P C 0.258 177.563 177.300 0.009 0.000 1.238 108 P CA -0.644 62.464 63.100 0.013 0.000 0.794 108 P CB 1.004 32.721 31.700 0.028 0.000 0.955 109 R N 1.187 121.686 120.500 -0.002 0.000 2.355 109 R HA -0.102 4.239 4.340 0.001 0.000 0.219 109 R C 1.476 177.780 176.300 0.007 0.000 1.107 109 R CA 0.819 56.916 56.100 -0.005 0.000 1.021 109 R CB -0.248 30.044 30.300 -0.013 0.000 0.852 109 R HN 0.370 nan 8.270 nan 0.000 0.475 110 K N 0.995 121.405 120.400 0.016 0.000 1.979 110 K HA -0.102 4.219 4.320 0.001 0.000 0.213 110 K C 1.977 178.594 176.600 0.029 0.000 1.036 110 K CA 0.861 57.160 56.287 0.020 0.000 0.954 110 K CB -0.884 31.629 32.500 0.022 0.000 0.743 110 K HN 0.112 nan 8.250 nan 0.000 0.443 111 L N 2.299 123.548 121.223 0.042 0.000 2.189 111 L HA -0.147 4.194 4.340 0.001 0.000 0.214 111 L C 1.008 177.914 176.870 0.060 0.000 1.097 111 L CA 1.369 56.239 54.840 0.049 0.000 0.764 111 L CB -0.678 41.417 42.059 0.061 0.000 0.900 111 L HN 0.241 nan 8.230 nan 0.000 0.436 112 Q N 0.561 120.405 119.800 0.074 0.000 2.263 112 Q HA 0.010 4.351 4.340 0.001 0.000 0.289 112 Q C -0.349 175.677 176.000 0.043 0.000 1.061 112 Q CA 0.602 56.454 55.803 0.081 0.000 0.927 112 Q CB 0.353 29.124 28.738 0.055 0.000 1.154 112 Q HN 0.507 nan 8.270 nan 0.000 0.378 113 T N 3.351 117.932 114.554 0.045 0.000 3.176 113 T HA 0.335 4.685 4.350 0.001 0.000 0.301 113 T C 0.073 174.778 174.700 0.008 0.000 1.115 113 T CA -0.594 61.518 62.100 0.020 0.000 1.027 113 T CB 0.126 69.005 68.868 0.018 0.000 1.063 113 T HN 0.425 nan 8.240 nan 0.000 0.669 114 R N 2.016 122.514 120.500 -0.003 0.000 2.580 114 R HA 0.422 4.763 4.340 0.001 0.000 0.267 114 R C -2.109 174.179 176.300 -0.020 0.000 1.125 114 R CA -1.662 54.427 56.100 -0.019 0.000 1.188 114 R CB -0.278 30.007 30.300 -0.025 0.000 1.155 114 R HN 0.338 nan 8.270 nan 0.000 0.586 115 P HA 0.033 nan 4.420 nan 0.000 0.274 115 P C -0.796 176.493 177.300 -0.018 0.000 1.260 115 P CA -0.138 62.949 63.100 -0.023 0.000 0.793 115 P CB 0.646 32.330 31.700 -0.027 0.000 1.048 116 S N -1.029 114.662 115.700 -0.015 0.000 2.632 116 S HA 0.659 5.130 4.470 0.001 0.000 0.289 116 S C -2.297 172.297 174.600 -0.009 0.000 1.115 116 S CA -0.914 57.278 58.200 -0.012 0.000 0.889 116 S CB 0.667 63.860 63.200 -0.013 0.000 1.116 116 S HN 0.229 nan 8.310 nan 0.000 0.486 117 P HA 0.472 nan 4.420 nan 0.000 0.261 117 P C 0.379 177.678 177.300 -0.002 0.000 1.352 117 P CA 0.084 63.182 63.100 -0.004 0.000 0.891 117 P CB 0.056 31.754 31.700 -0.003 0.000 1.383 118 G N 0.063 108.860 108.800 -0.004 0.000 2.360 118 G HA2 0.317 4.278 3.960 0.001 0.000 0.276 118 G HA3 0.317 4.278 3.960 0.001 0.000 0.276 118 G C -3.328 171.570 174.900 -0.005 0.000 1.256 118 G CA -0.739 44.359 45.100 -0.002 0.000 0.890 118 G HN -0.224 nan 8.290 nan 0.000 0.486 119 P HA 0.482 nan 4.420 nan 0.000 0.292 119 P C -2.389 174.910 177.300 -0.001 0.000 1.287 119 P CA -1.037 62.061 63.100 -0.003 0.000 0.800 119 P CB 0.605 32.307 31.700 0.004 0.000 0.945 120 P HA 0.157 nan 4.420 nan 0.000 0.268 120 P C -2.356 174.950 177.300 0.010 0.000 1.208 120 P CA -0.781 62.320 63.100 0.001 0.000 0.777 120 P CB -1.015 30.684 31.700 -0.001 0.000 0.875 121 P HA 0.043 nan 4.420 nan 0.000 0.267 121 P C 0.450 177.762 177.300 0.020 0.000 1.209 121 P CA 0.171 63.279 63.100 0.014 0.000 0.763 121 P CB 0.428 32.135 31.700 0.012 0.000 0.816 122 A N 4.013 126.845 122.820 0.021 0.000 1.978 122 A HA -0.222 4.099 4.320 0.001 0.000 0.220 122 A C 1.987 179.584 177.584 0.023 0.000 1.170 122 A CA 1.395 53.448 52.037 0.026 0.000 0.636 122 A CB -0.699 18.316 19.000 0.024 0.000 0.810 122 A HN 0.496 nan 8.150 nan 0.000 0.448 123 E N -0.531 119.679 120.200 0.017 0.000 2.051 123 E HA -0.235 4.116 4.350 0.001 0.000 0.192 123 E C 2.166 178.777 176.600 0.019 0.000 0.991 123 E CA 1.522 57.931 56.400 0.015 0.000 0.799 123 E CB -0.334 29.373 29.700 0.012 0.000 0.748 123 E HN 0.862 nan 8.360 nan 0.000 0.449 124 Q N 0.205 120.019 119.800 0.022 0.000 2.049 124 Q HA -0.129 4.212 4.340 0.001 0.000 0.198 124 Q C 2.364 178.388 176.000 0.039 0.000 0.971 124 Q CA 0.810 56.630 55.803 0.028 0.000 0.833 124 Q CB -0.069 28.684 28.738 0.024 0.000 0.896 124 Q HN 0.159 nan 8.270 nan 0.000 0.434 125 L N 0.806 122.056 121.223 0.045 0.000 2.042 125 L HA -0.169 4.171 4.340 0.001 0.000 0.210 125 L C 2.128 179.042 176.870 0.074 0.000 1.076 125 L CA 1.479 56.364 54.840 0.074 0.000 0.749 125 L CB -0.786 41.324 42.059 0.085 0.000 0.893 125 L HN 0.346 nan 8.230 nan 0.000 0.432 126 L N -0.458 120.786 121.223 0.036 0.000 2.046 126 L HA -0.176 4.165 4.340 0.001 0.000 0.208 126 L C 2.767 179.639 176.870 0.004 0.000 1.077 126 L CA 2.176 57.013 54.840 -0.005 0.000 0.747 126 L CB -0.910 41.143 42.059 -0.009 0.000 0.896 126 L HN 0.622 nan 8.230 nan 0.000 0.432 127 S N -1.763 113.952 115.700 0.025 0.000 2.402 127 S HA -0.213 4.258 4.470 0.001 0.000 0.229 127 S C 1.858 176.497 174.600 0.065 0.000 1.021 127 S CA 1.027 59.249 58.200 0.036 0.000 0.974 127 S CB -0.600 62.620 63.200 0.033 0.000 0.800 127 S HN 0.650 nan 8.310 nan 0.000 0.484 128 Q N 0.977 120.824 119.800 0.078 0.000 2.172 128 Q HA 0.137 4.478 4.340 0.001 0.000 0.200 128 Q C 2.556 178.657 176.000 0.169 0.000 0.964 128 Q CA 1.236 57.106 55.803 0.111 0.000 0.855 128 Q CB -0.437 28.359 28.738 0.096 0.000 0.918 128 Q HN 0.776 nan 8.270 nan 0.000 0.444 129 A N 1.320 124.224 122.820 0.139 0.000 1.872 129 A HA -0.145 4.176 4.320 0.001 0.000 0.214 129 A C 1.994 179.656 177.584 0.130 0.000 1.187 129 A CA 0.985 53.104 52.037 0.137 0.000 0.614 129 A CB -0.301 18.589 19.000 -0.182 0.000 0.826 129 A HN 0.175 nan 8.150 nan 0.000 0.442 130 R N -0.372 120.163 120.500 0.058 0.000 2.105 130 R HA -0.173 4.167 4.340 0.001 0.000 0.239 130 R C 1.977 178.352 176.300 0.125 0.000 1.135 130 R CA 1.663 57.802 56.100 0.066 0.000 0.967 130 R CB -0.481 29.835 30.300 0.026 0.000 0.861 130 R HN 0.730 nan 8.270 nan 0.000 0.442 131 D N 0.217 120.700 120.400 0.139 0.000 2.097 131 D HA -0.208 4.432 4.640 0.001 0.000 0.195 131 D C 1.673 178.092 176.300 0.199 0.000 0.989 131 D CA 0.957 55.048 54.000 0.152 0.000 0.827 131 D CB -0.087 40.799 40.800 0.143 0.000 0.966 131 D HN 0.139 nan 8.370 nan 0.000 0.456 132 F N 0.842 120.878 119.950 0.144 0.000 2.134 132 F HA -0.095 4.432 4.527 0.001 0.000 0.299 132 F C 1.937 177.874 175.800 0.229 0.000 1.097 132 F CA 1.072 59.188 58.000 0.194 0.000 1.264 132 F CB -0.233 38.884 39.000 0.195 0.000 1.001 132 F HN 0.006 nan 8.300 nan 0.000 0.479 133 I N 0.840 121.434 120.570 0.039 0.000 2.226 133 I HA -0.302 3.869 4.170 0.001 0.000 0.245 133 I C 2.057 178.230 176.117 0.094 0.000 1.100 133 I CA 1.199 62.528 61.300 0.048 0.000 1.374 133 I CB -1.616 36.523 38.000 0.231 0.000 1.057 133 I HN 0.234 nan 8.210 nan 0.000 0.413 134 N N 0.884 119.679 118.700 0.159 0.000 2.120 134 N HA -0.196 4.545 4.740 0.001 0.000 0.188 134 N C 1.851 177.336 175.510 -0.042 0.000 1.024 134 N CA 1.133 54.283 53.050 0.167 0.000 0.852 134 N CB -0.268 38.326 38.487 0.178 0.000 1.003 134 N HN 0.517 nan 8.380 nan 0.000 0.424 135 Q N -0.567 119.195 119.800 -0.063 0.000 2.050 135 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 135 Q C 1.835 177.615 176.000 -0.366 0.000 0.980 135 Q CA 1.270 57.027 55.803 -0.076 0.000 0.840 135 Q CB -0.246 28.561 28.738 0.113 0.000 0.898 135 Q HN 0.467 nan 8.270 nan 0.000 0.424 136 Y N -0.102 119.752 120.300 -0.743 0.000 2.114 136 Y HA -0.286 4.265 4.550 0.001 0.000 0.284 136 Y C 1.661 177.024 175.900 -0.895 0.000 1.143 136 Y CA 1.596 58.986 58.100 -1.183 0.000 1.135 136 Y CB -0.371 37.464 38.460 -1.042 0.000 0.980 136 Y HN 0.079 nan 8.280 nan 0.000 0.499 137 Y N -0.815 119.108 120.300 -0.628 0.000 2.497 137 Y HA -0.139 4.412 4.550 0.001 0.000 0.292 137 Y C 2.895 178.450 175.900 -0.576 0.000 1.137 137 Y CA 1.482 59.180 58.100 -0.669 0.000 1.285 137 Y CB -0.469 37.494 38.460 -0.828 0.000 0.991 137 Y HN 0.186 nan 8.280 nan 0.000 0.556 138 S N -1.062 114.401 115.700 -0.395 0.000 2.425 138 S HA -0.133 4.338 4.470 0.001 0.000 0.225 138 S C 2.357 176.780 174.600 -0.295 0.000 1.024 138 S CA 0.966 59.013 58.200 -0.255 0.000 0.951 138 S CB -0.466 62.642 63.200 -0.153 0.000 0.796 138 S HN 0.584 nan 8.310 nan 0.000 0.498 139 S N 2.363 117.772 115.700 -0.486 0.000 2.368 139 S HA -0.083 4.388 4.470 0.001 0.000 0.225 139 S C 1.677 176.038 174.600 -0.399 0.000 1.030 139 S CA 1.258 59.193 58.200 -0.441 0.000 0.999 139 S CB -0.917 61.809 63.200 -0.790 0.000 0.844 139 S HN 0.744 nan 8.310 nan 0.000 0.459 140 I N -2.882 117.350 120.570 -0.564 0.000 3.810 140 I HA 0.381 4.552 4.170 0.001 0.000 0.322 140 I C 0.349 176.322 176.117 -0.239 0.000 1.288 140 I CA -0.310 60.747 61.300 -0.405 0.000 1.143 140 I CB -0.091 37.590 38.000 -0.531 0.000 1.012 140 I HN -0.061 nan 8.210 nan 0.000 0.423 141 K N 0.625 120.899 120.400 -0.209 0.000 3.495 141 K HA -0.188 4.133 4.320 0.001 0.000 0.315 141 K C 0.723 177.273 176.600 -0.083 0.000 1.301 141 K CA 0.977 57.191 56.287 -0.123 0.000 0.985 141 K CB -1.644 30.805 32.500 -0.086 0.000 1.244 141 K HN 0.475 nan 8.250 nan 0.000 0.433 142 R N 1.049 121.506 120.500 -0.073 0.000 2.541 142 R HA 0.080 4.421 4.340 0.001 0.000 0.245 142 R C 0.288 176.586 176.300 -0.003 0.000 1.154 142 R CA 0.048 56.151 56.100 0.004 0.000 1.179 142 R CB -0.207 30.156 30.300 0.105 0.000 1.189 142 R HN 0.160 nan 8.270 nan 0.000 0.526 143 S N 0.189 115.859 115.700 -0.049 0.000 2.519 143 S HA 0.249 4.719 4.470 0.001 0.000 0.310 143 S C 1.227 175.889 174.600 0.103 0.000 1.201 143 S CA 0.946 59.130 58.200 -0.028 0.000 1.179 143 S CB -0.216 62.960 63.200 -0.039 0.000 1.104 143 S HN 0.715 nan 8.310 nan 0.000 0.527 144 G N 3.196 112.155 108.800 0.265 0.000 2.428 144 G HA2 -0.234 3.727 3.960 0.001 0.000 0.199 144 G HA3 -0.234 3.727 3.960 0.001 0.000 0.199 144 G C 0.360 175.275 174.900 0.025 0.000 1.005 144 G CA 0.043 45.214 45.100 0.118 0.000 0.671 144 G HN 1.359 nan 8.290 nan 0.000 0.485 145 S N 0.415 116.122 115.700 0.012 0.000 2.614 145 S HA 0.268 4.739 4.470 0.001 0.000 0.251 145 S C 1.334 175.895 174.600 -0.065 0.000 1.388 145 S CA 0.990 59.175 58.200 -0.026 0.000 0.973 145 S CB 0.711 63.901 63.200 -0.017 0.000 0.926 145 S HN 0.220 nan 8.310 nan 0.000 0.580 146 Q N 0.406 120.172 119.800 -0.057 0.000 2.119 146 Q HA -0.009 4.332 4.340 0.001 0.000 0.201 146 Q C 2.622 178.563 176.000 -0.098 0.000 0.972 146 Q CA 1.806 57.569 55.803 -0.067 0.000 0.847 146 Q CB -1.287 27.429 28.738 -0.037 0.000 0.903 146 Q HN 0.900 nan 8.270 nan 0.000 0.433 147 A N -0.269 122.492 122.820 -0.098 0.000 1.978 147 A HA -0.230 4.091 4.320 0.001 0.000 0.220 147 A C 1.941 179.257 177.584 -0.447 0.000 1.170 147 A CA 1.777 53.743 52.037 -0.119 0.000 0.636 147 A CB -0.793 18.237 19.000 0.050 0.000 0.810 147 A HN 0.569 nan 8.150 nan 0.000 0.448 148 H N -1.289 117.291 119.070 -0.817 0.000 2.307 148 H HA -0.077 4.480 4.556 0.001 0.000 0.303 148 H C 2.004 177.061 175.328 -0.452 0.000 1.073 148 H CA 1.034 56.438 56.048 -1.072 0.000 1.338 148 H CB 0.118 29.464 29.762 -0.692 0.000 1.389 148 H HN 0.337 nan 8.280 nan 0.000 0.503 149 E N 0.741 120.772 120.200 -0.281 0.000 2.160 149 E HA -0.153 4.198 4.350 0.001 0.000 0.195 149 E C 1.949 178.462 176.600 -0.145 0.000 0.991 149 E CA 1.050 57.306 56.400 -0.241 0.000 0.810 149 E CB -0.005 29.588 29.700 -0.179 0.000 0.742 149 E HN 0.672 nan 8.360 nan 0.000 0.466 150 E N -0.260 119.874 120.200 -0.110 0.000 2.230 150 E HA -0.094 4.256 4.350 0.001 0.000 0.192 150 E C 2.049 178.640 176.600 -0.015 0.000 0.987 150 E CA 0.282 56.651 56.400 -0.050 0.000 0.841 150 E CB 0.083 29.767 29.700 -0.027 0.000 0.783 150 E HN -0.091 nan 8.360 nan 0.000 0.481 151 R N 1.103 121.600 120.500 -0.006 0.000 2.115 151 R HA -0.025 4.315 4.340 0.001 0.000 0.226 151 R C 1.896 178.231 176.300 0.059 0.000 1.100 151 R CA 0.941 57.097 56.100 0.093 0.000 0.980 151 R CB -0.294 30.166 30.300 0.267 0.000 0.875 151 R HN 0.138 nan 8.270 nan 0.000 0.445 152 L N -0.320 120.903 121.223 0.000 0.000 2.072 152 L HA -0.085 4.256 4.340 0.001 0.000 0.205 152 L C 2.412 179.255 176.870 -0.045 0.000 1.079 152 L CA 1.280 56.100 54.840 -0.034 0.000 0.752 152 L CB -0.398 41.602 42.059 -0.098 0.000 0.906 152 L HN 0.205 nan 8.230 nan 0.000 0.436 153 Q N 0.242 120.018 119.800 -0.041 0.000 2.084 153 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 153 Q C 2.105 178.100 176.000 -0.010 0.000 0.978 153 Q CA 1.648 57.434 55.803 -0.029 0.000 0.844 153 Q CB 0.034 28.756 28.738 -0.026 0.000 0.898 153 Q HN 0.419 nan 8.270 nan 0.000 0.426 154 E N -1.010 119.195 120.200 0.009 0.000 2.110 154 E HA -0.163 4.188 4.350 0.001 0.000 0.193 154 E C 1.911 178.529 176.600 0.029 0.000 0.988 154 E CA 1.368 57.789 56.400 0.035 0.000 0.804 154 E CB 0.083 29.822 29.700 0.065 0.000 0.745 154 E HN 0.189 nan 8.360 nan 0.000 0.458 155 V N 1.249 121.149 119.914 -0.023 0.000 2.379 155 V HA -0.208 3.913 4.120 0.001 0.000 0.245 155 V C 1.978 178.007 176.094 -0.108 0.000 1.044 155 V CA 1.681 63.899 62.300 -0.137 0.000 1.036 155 V CB -0.391 31.239 31.823 -0.321 0.000 0.664 155 V HN 0.191 nan 8.190 nan 0.000 0.453 156 E N 0.514 120.672 120.200 -0.072 0.000 2.058 156 E HA -0.212 4.139 4.350 0.001 0.000 0.194 156 E C 2.332 178.926 176.600 -0.010 0.000 0.997 156 E CA 1.468 57.842 56.400 -0.044 0.000 0.801 156 E CB -0.388 29.290 29.700 -0.037 0.000 0.746 156 E HN 0.583 nan 8.360 nan 0.000 0.450 157 A N 1.062 123.884 122.820 0.003 0.000 1.902 157 A HA -0.267 4.054 4.320 0.001 0.000 0.217 157 A C 2.058 179.668 177.584 0.044 0.000 1.181 157 A CA 1.726 53.776 52.037 0.022 0.000 0.623 157 A CB -0.431 18.584 19.000 0.024 0.000 0.818 157 A HN 0.234 nan 8.150 nan 0.000 0.443 158 E N -0.524 119.715 120.200 0.066 0.000 2.107 158 E HA -0.082 4.268 4.350 0.001 0.000 0.191 158 E C 1.869 178.538 176.600 0.114 0.000 0.982 158 E CA 1.069 57.535 56.400 0.111 0.000 0.809 158 E CB -0.022 29.786 29.700 0.180 0.000 0.756 158 E HN 0.332 nan 8.360 nan 0.000 0.459 159 V N 0.997 120.966 119.914 0.092 0.000 2.358 159 V HA -0.220 3.901 4.120 0.001 0.000 0.246 159 V C 2.354 178.482 176.094 0.057 0.000 1.047 159 V CA 1.678 64.031 62.300 0.088 0.000 1.035 159 V CB -0.560 31.294 31.823 0.052 0.000 0.658 159 V HN 0.387 nan 8.190 nan 0.000 0.452 160 A N -0.467 122.376 122.820 0.038 0.000 1.902 160 A HA -0.192 4.129 4.320 0.001 0.000 0.217 160 A C 2.465 180.069 177.584 0.034 0.000 1.181 160 A CA 2.411 54.465 52.037 0.029 0.000 0.623 160 A CB -0.519 18.492 19.000 0.019 0.000 0.818 160 A HN 0.518 nan 8.150 nan 0.000 0.443 161 S N -1.179 114.546 115.700 0.042 0.000 2.404 161 S HA -0.053 4.418 4.470 0.001 0.000 0.223 161 S C 2.020 176.649 174.600 0.049 0.000 1.040 161 S CA 1.542 59.767 58.200 0.042 0.000 0.957 161 S CB -0.181 63.045 63.200 0.043 0.000 0.826 161 S HN 0.868 nan 8.310 nan 0.000 0.491 162 T N -1.913 112.680 114.554 0.065 0.000 3.040 162 T HA 0.417 4.768 4.350 0.001 0.000 0.250 162 T C 1.440 176.178 174.700 0.062 0.000 1.058 162 T CA 0.844 62.986 62.100 0.070 0.000 0.988 162 T CB 0.323 69.251 68.868 0.100 0.000 0.993 162 T HN 0.512 nan 8.240 nan 0.000 0.519 163 G N 0.264 109.100 108.800 0.060 0.000 2.168 163 G HA2 -0.205 3.756 3.960 0.001 0.000 0.263 163 G HA3 -0.205 3.756 3.960 0.001 0.000 0.263 163 G C 0.189 175.124 174.900 0.058 0.000 0.977 163 G CA 0.669 45.800 45.100 0.051 0.000 0.659 163 G HN 1.053 nan 8.290 nan 0.000 0.533 164 T N -1.720 112.886 114.554 0.085 0.000 2.661 164 T HA 0.688 5.038 4.350 0.001 0.000 0.305 164 T C -1.294 173.518 174.700 0.187 0.000 1.441 164 T CA 0.450 62.598 62.100 0.081 0.000 0.999 164 T CB 1.367 70.202 68.868 -0.056 0.000 1.650 164 T HN 1.646 nan 8.240 nan 0.000 0.489 165 Y N -0.832 119.409 120.300 -0.099 0.000 2.764 165 Y HA 0.782 5.333 4.550 0.001 0.000 0.331 165 Y C -1.345 174.411 175.900 -0.240 0.000 1.280 165 Y CA -1.142 56.947 58.100 -0.018 0.000 1.065 165 Y CB 0.824 39.306 38.460 0.037 0.000 1.319 165 Y HN 0.746 nan 8.280 nan 0.000 0.453 166 H N 0.849 119.902 119.070 -0.029 0.000 2.865 166 H HA 0.616 5.173 4.556 0.001 0.000 0.372 166 H C -1.210 174.144 175.328 0.043 0.000 1.173 166 H CA -0.885 55.096 56.048 -0.111 0.000 1.147 166 H CB 2.709 32.466 29.762 -0.007 0.000 1.805 166 H HN 0.588 nan 8.280 nan 0.000 0.553 167 L N 1.791 123.081 121.223 0.112 0.000 2.360 167 L HA 0.383 4.724 4.340 0.001 0.000 0.271 167 L C 0.530 177.470 176.870 0.117 0.000 1.057 167 L CA -1.002 53.931 54.840 0.156 0.000 0.803 167 L CB 0.777 42.897 42.059 0.102 0.000 1.207 167 L HN 0.300 nan 8.230 nan 0.000 0.445 168 R N 0.953 121.499 120.500 0.076 0.000 2.500 168 R HA 0.091 4.432 4.340 0.001 0.000 0.275 168 R C 0.811 177.104 176.300 -0.012 0.000 1.051 168 R CA -0.352 55.762 56.100 0.023 0.000 1.088 168 R CB 0.660 30.952 30.300 -0.014 0.000 1.063 168 R HN 0.642 nan 8.270 nan 0.000 0.511 169 E N 0.982 121.176 120.200 -0.009 0.000 2.130 169 E HA -0.229 4.122 4.350 0.001 0.000 0.196 169 E C 1.346 177.935 176.600 -0.019 0.000 0.998 169 E CA 2.049 58.439 56.400 -0.017 0.000 0.806 169 E CB 0.243 29.939 29.700 -0.007 0.000 0.738 169 E HN 0.669 nan 8.360 nan 0.000 0.459 170 S N 0.196 115.878 115.700 -0.030 0.000 2.368 170 S HA -0.192 4.278 4.470 0.001 0.000 0.224 170 S C 1.791 176.368 174.600 -0.038 0.000 1.029 170 S CA 1.282 59.483 58.200 0.001 0.000 0.988 170 S CB -0.340 62.873 63.200 0.021 0.000 0.838 170 S HN 0.326 nan 8.310 nan 0.000 0.462 171 E N 1.045 121.072 120.200 -0.288 0.000 2.106 171 E HA -0.047 4.304 4.350 0.001 0.000 0.192 171 E C 2.070 178.796 176.600 0.211 0.000 0.984 171 E CA 1.096 57.340 56.400 -0.260 0.000 0.806 171 E CB -0.350 29.191 29.700 -0.266 0.000 0.750 171 E HN 0.459 nan 8.360 nan 0.000 0.458 172 L N 0.710 121.968 121.223 0.058 0.000 2.083 172 L HA -0.148 4.193 4.340 0.001 0.000 0.209 172 L C 2.172 179.036 176.870 -0.010 0.000 1.083 172 L CA 1.235 56.053 54.840 -0.037 0.000 0.752 172 L CB -0.100 41.882 42.059 -0.129 0.000 0.899 172 L HN -0.058 nan 8.230 nan 0.000 0.433 173 V N -0.586 119.358 119.914 0.050 0.000 2.427 173 V HA -0.279 3.842 4.120 0.001 0.000 0.248 173 V C 2.271 178.469 176.094 0.175 0.000 1.051 173 V CA 1.974 64.316 62.300 0.070 0.000 1.048 173 V CB -0.850 31.014 31.823 0.068 0.000 0.666 173 V HN 0.576 nan 8.190 nan 0.000 0.456 174 F N 2.030 122.075 119.950 0.159 0.000 2.146 174 F HA 0.026 4.554 4.527 0.001 0.000 0.298 174 F C 2.144 178.093 175.800 0.248 0.000 1.096 174 F CA 1.555 59.700 58.000 0.241 0.000 1.275 174 F CB -0.875 38.352 39.000 0.379 0.000 1.008 174 F HN 0.119 nan 8.300 nan 0.000 0.480 175 G N 0.031 108.933 108.800 0.171 0.000 2.421 175 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 175 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 175 G C 1.859 176.635 174.900 -0.206 0.000 1.171 175 G CA 0.950 46.029 45.100 -0.035 0.000 0.775 175 G HN 0.619 nan 8.290 nan 0.000 0.543 176 A N 0.734 123.461 122.820 -0.154 0.000 1.940 176 A HA -0.050 4.271 4.320 0.001 0.000 0.219 176 A C 2.310 179.897 177.584 0.005 0.000 1.176 176 A CA 2.070 54.028 52.037 -0.132 0.000 0.631 176 A CB -0.349 18.605 19.000 -0.077 0.000 0.814 176 A HN 0.409 nan 8.150 nan 0.000 0.446 177 K N -1.294 119.138 120.400 0.053 0.000 2.155 177 K HA -0.111 4.210 4.320 0.001 0.000 0.203 177 K C 2.221 178.869 176.600 0.079 0.000 1.052 177 K CA 1.355 57.777 56.287 0.225 0.000 0.948 177 K CB -0.055 32.624 32.500 0.300 0.000 0.728 177 K HN 0.419 nan 8.250 nan 0.000 0.448 178 Q N 0.353 120.021 119.800 -0.219 0.000 2.311 178 Q HA 0.052 4.393 4.340 0.001 0.000 0.203 178 Q C 1.641 177.479 176.000 -0.269 0.000 0.954 178 Q CA 0.972 56.546 55.803 -0.382 0.000 0.885 178 Q CB 0.109 28.487 28.738 -0.600 0.000 0.963 178 Q HN 0.314 nan 8.270 nan 0.000 0.471 179 A N -0.741 121.940 122.820 -0.233 0.000 1.872 179 A HA -0.139 4.182 4.320 0.001 0.000 0.214 179 A C 1.747 179.342 177.584 0.017 0.000 1.187 179 A CA 1.146 52.989 52.037 -0.324 0.000 0.614 179 A CB -1.056 17.418 19.000 -0.877 0.000 0.826 179 A HN 0.655 nan 8.150 nan 0.000 0.442 180 W N 1.186 122.494 121.300 0.014 0.000 2.355 180 W HA -0.139 4.522 4.660 0.001 0.000 0.309 180 W C 2.349 178.816 176.519 -0.088 0.000 1.206 180 W CA 1.624 59.005 57.345 0.059 0.000 1.284 180 W CB -0.718 28.771 29.460 0.049 0.000 1.145 180 W HN 0.362 nan 8.180 nan 0.000 0.502 181 R N 0.273 120.674 120.500 -0.165 0.000 2.117 181 R HA -0.202 4.139 4.340 0.001 0.000 0.243 181 R C 1.603 177.714 176.300 -0.316 0.000 1.143 181 R CA 1.904 57.670 56.100 -0.556 0.000 0.968 181 R CB -0.579 29.079 30.300 -1.070 0.000 0.863 181 R HN 0.114 nan 8.270 nan 0.000 0.444 182 N N 0.285 118.861 118.700 -0.207 0.000 2.467 182 N HA 0.012 4.753 4.740 0.001 0.000 0.184 182 N C -0.303 175.148 175.510 -0.099 0.000 1.106 182 N CA 0.653 53.608 53.050 -0.159 0.000 0.892 182 N CB 0.336 38.732 38.487 -0.152 0.000 0.969 182 N HN 0.170 nan 8.380 nan 0.000 0.454 183 A N 2.125 124.940 122.820 -0.009 0.000 2.489 183 A HA 0.202 4.523 4.320 0.001 0.000 0.289 183 A C -1.230 176.337 177.584 -0.028 0.000 1.216 183 A CA -0.885 51.158 52.037 0.011 0.000 0.883 183 A CB 0.216 19.283 19.000 0.113 0.000 1.110 183 A HN 0.021 nan 8.150 nan 0.000 0.523 184 P HA -0.132 nan 4.420 nan 0.000 0.218 184 P C 0.995 178.246 177.300 -0.081 0.000 1.148 184 P CA 1.166 64.208 63.100 -0.096 0.000 0.822 184 P CB 0.146 31.756 31.700 -0.150 0.000 0.784 185 R N -2.062 118.350 120.500 -0.147 0.000 2.356 185 R HA 0.170 4.511 4.340 0.001 0.000 0.234 185 R C 0.056 176.365 176.300 0.014 0.000 0.929 185 R CA -0.173 55.856 56.100 -0.119 0.000 1.084 185 R CB -0.527 29.474 30.300 -0.498 0.000 1.105 185 R HN 0.176 nan 8.270 nan 0.000 0.515 186 C N 0.447 119.753 119.300 0.009 0.000 2.273 186 C HA 0.243 4.704 4.460 0.001 0.000 0.328 186 C C 1.827 176.814 174.990 -0.005 0.000 1.275 186 C CA -0.673 58.387 59.018 0.071 0.000 1.704 186 C CB 0.721 28.581 27.740 0.200 0.000 2.326 186 C HN 0.309 nan 8.230 nan 0.000 0.517 187 V N 5.770 125.646 119.914 -0.063 0.000 3.052 187 V HA 0.205 4.326 4.120 0.001 0.000 0.254 187 V C 1.843 178.022 176.094 0.142 0.000 1.100 187 V CA 2.156 64.341 62.300 -0.191 0.000 1.112 187 V CB -0.011 31.697 31.823 -0.192 0.000 0.738 187 V HN 1.057 nan 8.190 nan 0.000 0.469 188 G N -0.688 108.206 108.800 0.157 0.000 3.314 188 G HA2 0.010 3.971 3.960 0.001 0.000 0.238 188 G HA3 0.010 3.971 3.960 0.001 0.000 0.238 188 G C 1.241 176.192 174.900 0.084 0.000 1.184 188 G CA -0.315 44.883 45.100 0.163 0.000 0.806 188 G HN 0.426 nan 8.290 nan 0.000 0.536 189 R N -0.221 120.256 120.500 -0.038 0.000 2.397 189 R HA 0.073 4.414 4.340 0.001 0.000 0.213 189 R C 1.892 177.738 176.300 -0.757 0.000 1.102 189 R CA 0.223 55.990 56.100 -0.554 0.000 1.040 189 R CB -0.165 29.831 30.300 -0.508 0.000 0.844 189 R HN 0.445 nan 8.270 nan 0.000 0.478 190 I N 0.642 120.951 120.570 -0.434 0.000 2.676 190 I HA -0.197 3.973 4.170 0.001 0.000 0.259 190 I C 1.179 177.177 176.117 -0.198 0.000 1.194 190 I CA 1.062 62.231 61.300 -0.217 0.000 1.473 190 I CB 0.189 38.186 38.000 -0.006 0.000 1.096 190 I HN 0.181 nan 8.210 nan 0.000 0.443 191 Q N 0.644 120.280 119.800 -0.274 0.000 2.320 191 Q HA -0.090 4.251 4.340 0.001 0.000 0.201 191 Q C 1.533 177.153 176.000 -0.632 0.000 0.910 191 Q CA 0.154 55.812 55.803 -0.242 0.000 0.946 191 Q CB -0.169 28.605 28.738 0.060 0.000 1.062 191 Q HN 0.755 nan 8.270 nan 0.000 0.503 192 W N -0.100 120.534 121.300 -1.110 0.000 2.308 192 W HA -0.150 4.511 4.660 0.001 0.000 0.301 192 W C 1.093 177.368 176.519 -0.407 0.000 1.220 192 W CA 1.293 57.900 57.345 -1.229 0.000 1.240 192 W CB -1.095 27.789 29.460 -0.960 0.000 1.142 192 W HN 0.099 nan 8.180 nan 0.000 0.521 193 G N 1.059 109.374 108.800 -0.809 0.000 2.712 193 G HA2 -0.143 3.817 3.960 0.001 0.000 0.212 193 G HA3 -0.143 3.817 3.960 0.001 0.000 0.212 193 G C 0.834 175.612 174.900 -0.204 0.000 1.142 193 G CA -0.160 44.557 45.100 -0.637 0.000 0.789 193 G HN 0.223 nan 8.290 nan 0.000 0.535 194 K N 0.434 120.777 120.400 -0.096 0.000 2.231 194 K HA 0.476 4.797 4.320 0.001 0.000 0.255 194 K C -1.491 175.232 176.600 0.206 0.000 1.108 194 K CA -0.542 55.777 56.287 0.052 0.000 0.997 194 K CB 0.050 32.594 32.500 0.073 0.000 1.549 194 K HN 0.087 nan 8.250 nan 0.000 0.419 195 L N 3.094 124.411 121.223 0.156 0.000 2.476 195 L HA 0.279 4.620 4.340 0.001 0.000 0.269 195 L C -1.349 175.517 176.870 -0.008 0.000 0.965 195 L CA -0.438 54.488 54.840 0.144 0.000 0.845 195 L CB 1.955 44.163 42.059 0.249 0.000 1.259 195 L HN 0.401 nan 8.230 nan 0.000 0.403 196 Q N 3.544 123.287 119.800 -0.096 0.000 2.344 196 Q HA 0.445 4.786 4.340 0.001 0.000 0.253 196 Q C -1.469 174.172 176.000 -0.598 0.000 1.050 196 Q CA -0.087 55.490 55.803 -0.376 0.000 0.912 196 Q CB 0.890 29.341 28.738 -0.477 0.000 1.258 196 Q HN 0.508 nan 8.270 nan 0.000 0.443 197 V N 6.474 126.104 119.914 -0.472 0.000 2.320 197 V HA 0.300 4.421 4.120 0.001 0.000 0.265 197 V C -0.529 175.319 176.094 -0.410 0.000 1.048 197 V CA -0.513 61.568 62.300 -0.366 0.000 0.865 197 V CB -0.393 31.325 31.823 -0.175 0.000 1.043 197 V HN 0.591 nan 8.190 nan 0.000 0.474 198 F N 2.654 122.520 119.950 -0.139 0.000 2.421 198 F HA 0.313 4.841 4.527 0.001 0.000 0.358 198 F C 0.739 176.427 175.800 -0.187 0.000 1.115 198 F CA -0.965 56.948 58.000 -0.144 0.000 1.160 198 F CB 0.505 39.435 39.000 -0.117 0.000 1.123 198 F HN 0.402 nan 8.300 nan 0.000 0.508 199 D N 3.236 123.647 120.400 0.017 0.000 2.338 199 D HA 0.332 4.973 4.640 0.001 0.000 0.255 199 D C 0.201 176.397 176.300 -0.174 0.000 1.237 199 D CA 0.151 54.094 54.000 -0.094 0.000 0.883 199 D CB 1.072 41.843 40.800 -0.048 0.000 1.087 199 D HN 0.628 nan 8.370 nan 0.000 0.485 200 A N 4.598 127.142 122.820 -0.460 0.000 2.637 200 A HA 0.151 4.472 4.320 0.001 0.000 0.293 200 A C 1.502 178.774 177.584 -0.519 0.000 1.216 200 A CA -0.393 51.093 52.037 -0.918 0.000 0.956 200 A CB 0.071 17.978 19.000 -1.821 0.000 1.174 200 A HN 0.546 nan 8.150 nan 0.000 0.525 201 R N 1.088 121.442 120.500 -0.243 0.000 2.339 201 R HA -0.031 4.310 4.340 0.001 0.000 0.199 201 R C -0.120 176.140 176.300 -0.065 0.000 1.018 201 R CA 1.112 57.144 56.100 -0.113 0.000 1.036 201 R CB 0.018 30.314 30.300 -0.006 0.000 0.899 201 R HN 0.674 nan 8.270 nan 0.000 0.473 202 D N -0.319 120.061 120.400 -0.033 0.000 3.058 202 D HA 0.029 4.670 4.640 0.001 0.000 0.272 202 D C -0.645 175.725 176.300 0.118 0.000 1.350 202 D CA -0.294 53.736 54.000 0.051 0.000 0.863 202 D CB -0.011 40.838 40.800 0.082 0.000 1.064 202 D HN -0.024 nan 8.370 nan 0.000 0.488 203 C N 1.105 120.436 119.300 0.052 0.000 2.382 203 C HA 0.538 4.999 4.460 0.001 0.000 0.327 203 C C 1.196 176.281 174.990 0.158 0.000 1.250 203 C CA -0.201 58.903 59.018 0.143 0.000 1.707 203 C CB 1.027 28.824 27.740 0.095 0.000 2.272 203 C HN 0.503 nan 8.230 nan 0.000 0.506 204 S N 1.946 117.803 115.700 0.262 0.000 2.847 204 S HA 0.328 4.799 4.470 0.001 0.000 0.254 204 S C -0.064 174.717 174.600 0.302 0.000 1.039 204 S CA 0.172 58.568 58.200 0.327 0.000 1.113 204 S CB -0.234 63.090 63.200 0.206 0.000 1.092 204 S HN 1.244 nan 8.310 nan 0.000 0.620 205 S N -0.362 115.515 115.700 0.296 0.000 2.596 205 S HA 0.821 5.292 4.470 0.001 0.000 0.270 205 S C 0.840 175.559 174.600 0.198 0.000 1.155 205 S CA -0.323 58.001 58.200 0.206 0.000 0.827 205 S CB 0.987 64.276 63.200 0.149 0.000 1.130 205 S HN 0.531 nan 8.310 nan 0.000 0.467 206 A N 0.786 123.698 122.820 0.153 0.000 1.933 206 A HA -0.068 4.252 4.320 0.001 0.000 0.218 206 A C 2.080 179.686 177.584 0.037 0.000 1.175 206 A CA 1.548 53.671 52.037 0.143 0.000 0.628 206 A CB -0.926 18.234 19.000 0.266 0.000 0.814 206 A HN 0.741 nan 8.150 nan 0.000 0.444 207 Q N -0.038 119.837 119.800 0.125 0.000 2.124 207 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 207 Q C 1.857 177.876 176.000 0.032 0.000 0.977 207 Q CA 1.805 57.635 55.803 0.045 0.000 0.850 207 Q CB -0.262 28.572 28.738 0.159 0.000 0.901 207 Q HN 0.814 nan 8.270 nan 0.000 0.429 208 E N -0.530 119.734 120.200 0.108 0.000 2.072 208 E HA -0.121 4.230 4.350 0.001 0.000 0.191 208 E C 2.123 178.898 176.600 0.292 0.000 0.985 208 E CA 0.799 57.302 56.400 0.171 0.000 0.801 208 E CB -0.074 29.778 29.700 0.253 0.000 0.750 208 E HN 0.347 nan 8.360 nan 0.000 0.452 209 M N 0.026 119.756 119.600 0.217 0.000 2.108 209 M HA -0.185 4.296 4.480 0.001 0.000 0.261 209 M C 2.173 178.572 176.300 0.165 0.000 1.066 209 M CA 1.284 56.676 55.300 0.153 0.000 1.107 209 M CB -0.276 32.160 32.600 -0.273 0.000 1.356 209 M HN 0.109 nan 8.290 nan 0.000 0.406 210 F N 1.038 120.829 119.950 -0.265 0.000 2.102 210 F HA -0.189 4.339 4.527 0.001 0.000 0.298 210 F C 2.348 178.054 175.800 -0.158 0.000 1.105 210 F CA 1.821 59.593 58.000 -0.380 0.000 1.239 210 F CB -0.869 37.584 39.000 -0.912 0.000 0.991 210 F HN 0.035 nan 8.300 nan 0.000 0.474 211 T N -0.467 113.962 114.554 -0.207 0.000 2.746 211 T HA -0.234 4.116 4.350 0.001 0.000 0.267 211 T C 1.754 176.314 174.700 -0.233 0.000 1.039 211 T CA 1.868 63.786 62.100 -0.303 0.000 1.142 211 T CB -0.701 68.025 68.868 -0.236 0.000 0.866 211 T HN 0.276 nan 8.240 nan 0.000 0.444 212 Y N 0.947 121.204 120.300 -0.072 0.000 2.181 212 Y HA -0.010 4.541 4.550 0.001 0.000 0.288 212 Y C 2.228 178.095 175.900 -0.055 0.000 1.146 212 Y CA 0.624 58.693 58.100 -0.051 0.000 1.164 212 Y CB -0.469 38.054 38.460 0.104 0.000 0.982 212 Y HN 0.197 nan 8.280 nan 0.000 0.515 213 I N -1.667 119.014 120.570 0.184 0.000 2.286 213 I HA -0.352 3.818 4.170 0.001 0.000 0.248 213 I C 2.216 178.311 176.117 -0.037 0.000 1.115 213 I CA 0.957 62.310 61.300 0.088 0.000 1.392 213 I CB -0.432 37.627 38.000 0.099 0.000 1.065 213 I HN 0.290 nan 8.210 nan 0.000 0.418 214 C N 0.411 119.586 119.300 -0.208 0.000 2.440 214 C HA -0.135 4.325 4.460 0.001 0.000 0.278 214 C C 2.654 177.556 174.990 -0.147 0.000 1.295 214 C CA 1.285 60.157 59.018 -0.242 0.000 1.738 214 C CB -1.418 26.057 27.740 -0.442 0.000 1.987 214 C HN 0.587 nan 8.230 nan 0.000 0.492 215 N N 0.380 118.971 118.700 -0.180 0.000 2.120 215 N HA -0.194 4.547 4.740 0.001 0.000 0.188 215 N C 1.579 176.966 175.510 -0.205 0.000 1.024 215 N CA 2.116 55.030 53.050 -0.227 0.000 0.852 215 N CB -0.565 37.717 38.487 -0.343 0.000 1.003 215 N HN 0.737 nan 8.380 nan 0.000 0.424 216 H N -0.496 118.418 119.070 -0.260 0.000 2.321 216 H HA 0.030 4.587 4.556 0.001 0.000 0.300 216 H C 2.052 177.429 175.328 0.082 0.000 1.087 216 H CA 2.076 58.072 56.048 -0.087 0.000 1.319 216 H CB -0.133 29.645 29.762 0.025 0.000 1.379 216 H HN 0.234 nan 8.280 nan 0.000 0.501 217 I N 1.114 121.839 120.570 0.258 0.000 2.163 217 I HA -0.287 3.884 4.170 0.001 0.000 0.243 217 I C 2.666 178.849 176.117 0.109 0.000 1.085 217 I CA 1.580 62.989 61.300 0.182 0.000 1.347 217 I CB -0.392 37.650 38.000 0.070 0.000 1.044 217 I HN 0.370 nan 8.210 nan 0.000 0.408 218 K N 1.083 121.516 120.400 0.056 0.000 2.147 218 K HA -0.263 4.058 4.320 0.001 0.000 0.205 218 K C 2.199 178.843 176.600 0.072 0.000 1.049 218 K CA 1.706 58.015 56.287 0.036 0.000 0.936 218 K CB -0.671 31.827 32.500 -0.003 0.000 0.722 218 K HN 0.344 nan 8.250 nan 0.000 0.446 219 Y N 1.436 121.733 120.300 -0.005 0.000 2.130 219 Y HA -0.074 4.476 4.550 0.001 0.000 0.287 219 Y C 2.466 178.405 175.900 0.065 0.000 1.124 219 Y CA 2.149 60.276 58.100 0.046 0.000 1.118 219 Y CB -0.707 37.833 38.460 0.133 0.000 0.994 219 Y HN 0.147 nan 8.280 nan 0.000 0.497 220 A N -0.181 122.695 122.820 0.094 0.000 1.873 220 A HA -0.253 4.067 4.320 0.001 0.000 0.218 220 A C 2.214 179.792 177.584 -0.010 0.000 1.193 220 A CA 2.785 54.836 52.037 0.024 0.000 0.629 220 A CB -1.527 17.558 19.000 0.142 0.000 0.826 220 A HN 0.571 nan 8.150 nan 0.000 0.447 221 T N -0.419 114.153 114.554 0.029 0.000 2.652 221 T HA -0.195 4.156 4.350 0.001 0.000 0.267 221 T C 1.061 175.743 174.700 -0.031 0.000 1.039 221 T CA 1.315 63.428 62.100 0.023 0.000 1.153 221 T CB -0.619 68.268 68.868 0.032 0.000 0.863 221 T HN 0.764 nan 8.240 nan 0.000 0.428 222 N N 0.802 119.462 118.700 -0.067 0.000 2.705 222 N HA -0.279 4.462 4.740 0.001 0.000 0.255 222 N C -0.606 174.868 175.510 -0.061 0.000 1.008 222 N CA 0.228 53.223 53.050 -0.092 0.000 0.742 222 N CB -0.570 37.818 38.487 -0.166 0.000 0.906 222 N HN 0.436 nan 8.380 nan 0.000 0.541 223 R N -1.961 118.515 120.500 -0.040 0.000 3.627 223 R HA -0.256 4.085 4.340 0.001 0.000 0.281 223 R C 1.263 177.536 176.300 -0.046 0.000 1.140 223 R CA 1.172 57.249 56.100 -0.038 0.000 0.761 223 R CB -2.068 28.210 30.300 -0.037 0.000 1.181 223 R HN 0.844 nan 8.270 nan 0.000 0.472 224 G N -0.365 108.409 108.800 -0.042 0.000 2.259 224 G HA2 -0.342 3.619 3.960 0.001 0.000 0.217 224 G HA3 -0.342 3.619 3.960 0.001 0.000 0.217 224 G C -0.003 174.865 174.900 -0.053 0.000 1.001 224 G CA 0.077 45.148 45.100 -0.048 0.000 0.627 224 G HN 0.485 nan 8.290 nan 0.000 0.501 225 N N 1.212 119.873 118.700 -0.066 0.000 3.298 225 N HA 0.431 5.172 4.740 0.001 0.000 0.292 225 N C 0.269 175.732 175.510 -0.079 0.000 1.271 225 N CA -0.718 52.278 53.050 -0.090 0.000 1.184 225 N CB -0.138 38.295 38.487 -0.089 0.000 1.452 225 N HN 0.159 nan 8.380 nan 0.000 0.534 226 L N 2.038 123.241 121.223 -0.034 0.000 2.573 226 L HA -0.031 4.309 4.340 0.001 0.000 0.290 226 L C 0.619 177.574 176.870 0.142 0.000 1.247 226 L CA 1.214 56.099 54.840 0.074 0.000 0.876 226 L CB 0.090 42.281 42.059 0.219 0.000 1.123 226 L HN 0.364 nan 8.230 nan 0.000 0.505 227 R N 1.357 121.937 120.500 0.132 0.000 2.575 227 R HA 0.443 4.784 4.340 0.001 0.000 0.293 227 R C -0.665 175.754 176.300 0.197 0.000 0.983 227 R CA -0.708 55.491 56.100 0.164 0.000 0.887 227 R CB 1.675 31.909 30.300 -0.111 0.000 1.184 227 R HN 0.562 nan 8.270 nan 0.000 0.445 228 S N 1.594 117.427 115.700 0.222 0.000 2.516 228 S HA 0.419 4.890 4.470 0.001 0.000 0.282 228 S C -0.235 174.398 174.600 0.055 0.000 1.286 228 S CA -0.247 57.983 58.200 0.051 0.000 1.066 228 S CB 1.060 64.243 63.200 -0.029 0.000 0.884 228 S HN 0.684 nan 8.310 nan 0.000 0.491 229 A N 3.078 125.898 122.820 0.000 0.000 2.594 229 A HA 0.867 5.188 4.320 0.001 0.000 0.291 229 A C -1.183 176.443 177.584 0.069 0.000 1.105 229 A CA -0.709 51.284 52.037 -0.074 0.000 0.694 229 A CB 1.339 20.257 19.000 -0.137 0.000 1.291 229 A HN 0.808 nan 8.150 nan 0.000 0.410 230 I N 0.697 121.308 120.570 0.069 0.000 2.610 230 I HA 0.493 4.664 4.170 0.001 0.000 0.289 230 I C -1.257 175.000 176.117 0.234 0.000 1.163 230 I CA -0.079 61.384 61.300 0.272 0.000 1.044 230 I CB 2.241 40.334 38.000 0.155 0.000 1.251 230 I HN 0.616 nan 8.210 nan 0.000 0.424 231 T N 6.626 121.360 114.554 0.301 0.000 2.758 231 T HA 0.424 4.774 4.350 0.001 0.000 0.285 231 T C -0.453 174.097 174.700 -0.251 0.000 0.981 231 T CA -0.378 61.740 62.100 0.029 0.000 0.965 231 T CB 1.504 70.343 68.868 -0.048 0.000 0.927 231 T HN 0.277 nan 8.240 nan 0.000 0.448 232 V N 5.173 124.875 119.914 -0.353 0.000 2.311 232 V HA 0.410 4.531 4.120 0.001 0.000 0.275 232 V C -0.208 175.642 176.094 -0.407 0.000 1.022 232 V CA -0.835 61.274 62.300 -0.319 0.000 0.830 232 V CB -0.437 31.165 31.823 -0.368 0.000 1.012 232 V HN 0.714 nan 8.190 nan 0.000 0.452 233 F N 5.175 125.065 119.950 -0.100 0.000 2.390 233 F HA 0.425 4.953 4.527 0.001 0.000 0.307 233 F C -1.710 174.014 175.800 -0.127 0.000 1.227 233 F CA -2.225 55.642 58.000 -0.222 0.000 1.179 233 F CB -0.018 38.845 39.000 -0.229 0.000 1.280 233 F HN 0.288 nan 8.300 nan 0.000 0.548 234 P HA -0.015 nan 4.420 nan 0.000 0.262 234 P C -0.887 176.427 177.300 0.024 0.000 1.182 234 P CA -0.077 62.941 63.100 -0.137 0.000 0.761 234 P CB 0.187 31.605 31.700 -0.469 0.000 0.795 235 Q N 3.922 123.668 119.800 -0.090 0.000 2.700 235 Q HA 0.090 4.431 4.340 0.001 0.000 0.232 235 Q C -0.247 175.640 176.000 -0.189 0.000 1.110 235 Q CA -0.100 55.405 55.803 -0.497 0.000 1.026 235 Q CB 0.428 28.610 28.738 -0.928 0.000 1.311 235 Q HN 0.366 nan 8.270 nan 0.000 0.583 236 R N -0.258 120.095 120.500 -0.244 0.000 2.441 236 R HA 0.562 4.903 4.340 0.001 0.000 0.284 236 R C -0.812 175.428 176.300 -0.100 0.000 1.070 236 R CA -0.155 55.889 56.100 -0.094 0.000 1.047 236 R CB 1.203 31.448 30.300 -0.092 0.000 1.016 236 R HN 0.702 nan 8.270 nan 0.000 0.477 237 A N 3.501 126.304 122.820 -0.029 0.000 2.355 237 A HA 0.427 4.748 4.320 0.001 0.000 0.317 237 A C -1.745 175.830 177.584 -0.014 0.000 1.094 237 A CA -1.612 50.412 52.037 -0.021 0.000 0.764 237 A CB 1.207 20.223 19.000 0.025 0.000 1.230 237 A HN 0.538 nan 8.150 nan 0.000 0.448 238 P HA -0.098 nan 4.420 nan 0.000 0.221 238 P C 1.088 178.388 177.300 0.000 0.000 1.145 238 P CA 1.738 64.832 63.100 -0.010 0.000 0.795 238 P CB 0.178 31.873 31.700 -0.008 0.000 0.775 239 G N -0.421 108.383 108.800 0.007 0.000 3.284 239 G HA2 0.219 4.180 3.960 0.001 0.000 0.236 239 G HA3 0.219 4.180 3.960 0.001 0.000 0.236 239 G C 0.493 175.398 174.900 0.009 0.000 1.158 239 G CA -0.215 44.892 45.100 0.011 0.000 0.774 239 G HN 0.403 nan 8.290 nan 0.000 0.545 240 R N -2.579 117.924 120.500 0.006 0.000 2.764 240 R HA 0.599 4.939 4.340 0.001 0.000 0.276 240 R C 0.280 176.573 176.300 -0.010 0.000 1.021 240 R CA -0.352 55.746 56.100 -0.003 0.000 0.870 240 R CB -0.169 30.129 30.300 -0.003 0.000 1.293 240 R HN 0.058 nan 8.270 nan 0.000 0.469 241 G N -0.213 108.570 108.800 -0.028 0.000 2.684 241 G HA2 0.298 4.259 3.960 0.001 0.000 0.255 241 G HA3 0.298 4.259 3.960 0.001 0.000 0.255 241 G C -0.936 173.937 174.900 -0.045 0.000 1.219 241 G CA -0.278 44.802 45.100 -0.032 0.000 0.901 241 G HN 0.535 nan 8.290 nan 0.000 0.548 242 D N -1.062 119.326 120.400 -0.020 0.000 2.268 242 D HA 0.405 5.046 4.640 0.001 0.000 0.249 242 D C -0.600 175.688 176.300 -0.021 0.000 1.008 242 D CA -0.149 53.865 54.000 0.024 0.000 0.939 242 D CB 1.355 42.197 40.800 0.069 0.000 1.170 242 D HN 0.076 nan 8.370 nan 0.000 0.468 243 F N 1.533 121.511 119.950 0.048 0.000 2.420 243 F HA 0.351 4.879 4.527 0.001 0.000 0.352 243 F C 0.911 176.739 175.800 0.047 0.000 1.108 243 F CA -0.040 57.974 58.000 0.023 0.000 1.162 243 F CB 0.669 39.679 39.000 0.017 0.000 1.118 243 F HN -0.181 nan 8.300 nan 0.000 0.510 244 R N 4.158 124.776 120.500 0.198 0.000 2.668 244 R HA 0.530 4.871 4.340 0.001 0.000 0.272 244 R C -1.395 175.044 176.300 0.231 0.000 1.019 244 R CA -0.883 55.355 56.100 0.230 0.000 0.894 244 R CB 2.291 32.777 30.300 0.310 0.000 1.228 244 R HN 0.600 nan 8.270 nan 0.000 0.460 245 I N 1.571 122.277 120.570 0.226 0.000 2.355 245 I HA 0.187 4.358 4.170 0.001 0.000 0.288 245 I C 0.505 176.839 176.117 0.363 0.000 0.999 245 I CA -0.499 60.922 61.300 0.203 0.000 1.163 245 I CB 1.210 39.272 38.000 0.103 0.000 1.316 245 I HN 0.512 nan 8.210 nan 0.000 0.454 246 W N 3.451 124.795 121.300 0.073 0.000 2.374 246 W HA -0.095 4.565 4.660 0.002 0.000 0.288 246 W C 0.941 177.564 176.519 0.173 0.000 1.218 246 W CA 0.127 57.583 57.345 0.185 0.000 1.245 246 W CB -0.905 28.594 29.460 0.065 0.000 1.126 246 W HN 0.421 nan 8.180 nan 0.000 0.545 247 N N -0.049 118.803 118.700 0.253 0.000 2.479 247 N HA 0.013 4.754 4.740 0.001 0.000 0.257 247 N C 1.276 176.850 175.510 0.105 0.000 1.232 247 N CA 0.851 53.975 53.050 0.122 0.000 0.920 247 N CB 0.633 39.131 38.487 0.019 0.000 1.105 247 N HN -0.127 nan 8.380 nan 0.000 0.444 248 S N 0.344 116.096 115.700 0.086 0.000 2.436 248 S HA -0.025 4.446 4.470 0.001 0.000 0.228 248 S C 0.297 174.897 174.600 -0.001 0.000 1.014 248 S CA 0.644 58.885 58.200 0.068 0.000 0.950 248 S CB 0.019 63.280 63.200 0.100 0.000 0.784 248 S HN 0.646 nan 8.310 nan 0.000 0.504 249 Q N -0.737 119.043 119.800 -0.032 0.000 2.416 249 Q HA 0.505 4.846 4.340 0.001 0.000 0.281 249 Q C 0.121 176.037 176.000 -0.141 0.000 1.067 249 Q CA -0.527 55.216 55.803 -0.100 0.000 0.809 249 Q CB 1.970 30.668 28.738 -0.066 0.000 1.418 249 Q HN 0.096 nan 8.270 nan 0.000 0.411 250 L N 0.034 121.155 121.223 -0.170 0.000 2.093 250 L HA 0.008 4.349 4.340 0.001 0.000 0.208 250 L C 0.465 177.191 176.870 -0.239 0.000 1.085 250 L CA 0.849 55.594 54.840 -0.159 0.000 0.755 250 L CB -0.025 41.951 42.059 -0.139 0.000 0.904 250 L HN 0.258 nan 8.230 nan 0.000 0.435 251 V N 0.765 120.440 119.914 -0.399 0.000 2.448 251 V HA 0.513 4.633 4.120 0.001 0.000 0.295 251 V C -0.120 175.383 176.094 -0.984 0.000 1.025 251 V CA -0.687 61.195 62.300 -0.697 0.000 0.859 251 V CB 1.583 32.861 31.823 -0.909 0.000 0.988 251 V HN 0.199 nan 8.190 nan 0.000 0.431 252 R N 2.573 122.627 120.500 -0.743 0.000 2.734 252 R HA 0.541 4.882 4.340 0.001 0.000 0.271 252 R C -1.950 174.105 176.300 -0.407 0.000 1.021 252 R CA -0.848 54.949 56.100 -0.506 0.000 0.893 252 R CB 2.310 32.498 30.300 -0.186 0.000 1.244 252 R HN 0.559 nan 8.270 nan 0.000 0.464 253 Y N -0.074 120.217 120.300 -0.015 0.000 2.420 253 Y HA 0.537 5.088 4.550 0.001 0.000 0.334 253 Y C 0.624 176.498 175.900 -0.044 0.000 1.094 253 Y CA -0.866 57.244 58.100 0.016 0.000 1.126 253 Y CB 1.666 40.212 38.460 0.143 0.000 1.217 253 Y HN 0.722 nan 8.280 nan 0.000 0.462 254 A N 1.248 124.102 122.820 0.057 0.000 2.462 254 A HA 0.555 4.876 4.320 0.001 0.000 0.243 254 A C 0.550 177.870 177.584 -0.442 0.000 1.076 254 A CA 0.272 52.161 52.037 -0.246 0.000 0.773 254 A CB -0.285 18.483 19.000 -0.387 0.000 1.010 254 A HN 0.959 nan 8.150 nan 0.000 0.493 255 G N 1.446 110.005 108.800 -0.401 0.000 2.938 255 G HA2 0.527 4.488 3.960 0.001 0.000 0.308 255 G HA3 0.527 4.488 3.960 0.001 0.000 0.308 255 G C -1.016 173.758 174.900 -0.210 0.000 1.422 255 G CA -0.263 44.660 45.100 -0.296 0.000 1.071 255 G HN 0.519 nan 8.290 nan 0.000 0.530 256 Y N 0.891 121.210 120.300 0.031 0.000 2.350 256 Y HA 0.387 4.938 4.550 0.001 0.000 0.340 256 Y C 1.017 176.920 175.900 0.006 0.000 1.006 256 Y CA -1.310 56.807 58.100 0.029 0.000 1.166 256 Y CB 1.141 39.614 38.460 0.022 0.000 1.168 256 Y HN 0.500 nan 8.280 nan 0.000 0.502 257 R N 3.739 124.329 120.500 0.150 0.000 2.357 257 R HA 0.098 4.439 4.340 0.001 0.000 0.330 257 R C -0.538 175.804 176.300 0.071 0.000 1.102 257 R CA -0.044 56.106 56.100 0.083 0.000 0.974 257 R CB 0.036 30.374 30.300 0.064 0.000 1.002 257 R HN 0.724 nan 8.270 nan 0.000 0.463 258 Q N 2.768 122.602 119.800 0.057 0.000 2.340 258 Q HA -0.035 4.306 4.340 0.001 0.000 0.249 258 Q C 0.972 176.984 176.000 0.020 0.000 0.957 258 Q CA -0.204 55.620 55.803 0.035 0.000 0.882 258 Q CB 1.445 30.201 28.738 0.030 0.000 1.235 258 Q HN 0.718 nan 8.270 nan 0.000 0.439 259 Q N 1.953 121.759 119.800 0.010 0.000 2.135 259 Q HA -0.342 3.999 4.340 0.001 0.000 0.218 259 Q C 0.426 176.430 176.000 0.007 0.000 1.058 259 Q CA 2.315 58.121 55.803 0.005 0.000 0.926 259 Q CB -0.817 27.920 28.738 -0.001 0.000 1.065 259 Q HN 0.796 nan 8.270 nan 0.000 0.433 260 D N 0.146 120.550 120.400 0.007 0.000 2.644 260 D HA 0.099 4.740 4.640 0.001 0.000 0.252 260 D C 1.045 177.351 176.300 0.010 0.000 1.254 260 D CA 0.665 54.669 54.000 0.007 0.000 0.884 260 D CB -0.113 40.689 40.800 0.005 0.000 1.034 260 D HN 0.703 nan 8.370 nan 0.000 0.473 261 G N 0.279 109.086 108.800 0.013 0.000 2.257 261 G HA2 -0.374 3.587 3.960 0.001 0.000 0.267 261 G HA3 -0.374 3.587 3.960 0.001 0.000 0.267 261 G C 0.516 175.426 174.900 0.016 0.000 0.984 261 G CA 0.647 45.756 45.100 0.015 0.000 0.626 261 G HN 0.696 nan 8.290 nan 0.000 0.540 262 S N -1.105 114.603 115.700 0.014 0.000 2.598 262 S HA 0.488 4.959 4.470 0.001 0.000 0.256 262 S C 0.223 174.831 174.600 0.013 0.000 1.350 262 S CA 0.615 58.822 58.200 0.011 0.000 0.984 262 S CB 1.136 64.342 63.200 0.010 0.000 0.930 262 S HN 1.140 nan 8.310 nan 0.000 0.577 263 V N 3.165 123.079 119.914 -0.001 0.000 2.532 263 V HA 0.406 4.527 4.120 0.001 0.000 0.294 263 V C -0.373 175.698 176.094 -0.039 0.000 1.036 263 V CA -0.822 61.471 62.300 -0.011 0.000 0.876 263 V CB 1.592 33.393 31.823 -0.037 0.000 1.012 263 V HN 0.910 nan 8.190 nan 0.000 0.432 264 R N 3.662 124.170 120.500 0.012 0.000 2.308 264 R HA 0.750 5.091 4.340 0.001 0.000 0.305 264 R C 0.662 176.905 176.300 -0.095 0.000 1.053 264 R CA 1.335 57.444 56.100 0.014 0.000 0.957 264 R CB 0.833 31.230 30.300 0.161 0.000 1.022 264 R HN 1.362 nan 8.270 nan 0.000 0.461 265 G N 2.990 111.659 108.800 -0.219 0.000 2.484 265 G HA2 -0.249 3.712 3.960 0.001 0.000 0.225 265 G HA3 -0.249 3.712 3.960 0.001 0.000 0.225 265 G C -1.288 173.219 174.900 -0.655 0.000 1.250 265 G CA -0.010 44.878 45.100 -0.353 0.000 0.926 265 G HN 0.721 nan 8.290 nan 0.000 0.581 266 D N 1.482 121.636 120.400 -0.410 0.000 2.347 266 D HA 0.560 5.200 4.640 0.001 0.000 0.235 266 D C -0.951 175.244 176.300 -0.176 0.000 1.149 266 D CA -2.020 51.773 54.000 -0.346 0.000 0.850 266 D CB 1.372 42.319 40.800 0.244 0.000 1.061 266 D HN -0.011 nan 8.370 nan 0.000 0.487 267 P HA -0.095 nan 4.420 nan 0.000 0.218 267 P C 0.801 178.104 177.300 0.005 0.000 1.148 267 P CA 1.053 64.107 63.100 -0.076 0.000 0.822 267 P CB 0.270 31.930 31.700 -0.066 0.000 0.784 268 A N -0.977 121.864 122.820 0.035 0.000 2.209 268 A HA -0.070 4.251 4.320 0.001 0.000 0.212 268 A C 1.361 178.999 177.584 0.090 0.000 1.158 268 A CA 1.141 53.230 52.037 0.086 0.000 0.742 268 A CB -0.769 18.298 19.000 0.111 0.000 0.790 268 A HN 0.136 nan 8.150 nan 0.000 0.472 269 N N -0.594 118.142 118.700 0.060 0.000 2.338 269 N HA 0.173 4.914 4.740 0.001 0.000 0.251 269 N C 0.913 176.429 175.510 0.010 0.000 1.199 269 N CA 0.057 53.133 53.050 0.044 0.000 0.879 269 N CB 0.832 39.344 38.487 0.041 0.000 1.159 269 N HN 0.154 nan 8.380 nan 0.000 0.514 270 V N 0.699 120.624 119.914 0.019 0.000 2.307 270 V HA -0.187 3.933 4.120 0.001 0.000 0.245 270 V C 2.401 178.516 176.094 0.036 0.000 1.045 270 V CA 1.689 64.001 62.300 0.021 0.000 1.024 270 V CB -0.188 31.654 31.823 0.031 0.000 0.651 270 V HN 0.384 nan 8.190 nan 0.000 0.449 271 E N -0.261 119.968 120.200 0.048 0.000 2.058 271 E HA -0.270 4.081 4.350 0.001 0.000 0.194 271 E C 2.143 178.711 176.600 -0.053 0.000 0.997 271 E CA 1.772 58.193 56.400 0.035 0.000 0.801 271 E CB -0.160 29.609 29.700 0.114 0.000 0.746 271 E HN 0.475 nan 8.360 nan 0.000 0.450 272 I N 0.706 121.247 120.570 -0.049 0.000 2.394 272 I HA -0.190 3.980 4.170 0.001 0.000 0.251 272 I C 2.042 178.111 176.117 -0.081 0.000 1.136 272 I CA 1.375 62.600 61.300 -0.124 0.000 1.425 272 I CB -0.182 37.785 38.000 -0.055 0.000 1.079 272 I HN 0.088 nan 8.210 nan 0.000 0.425 273 T N 0.082 114.627 114.554 -0.016 0.000 2.821 273 T HA -0.127 4.224 4.350 0.001 0.000 0.267 273 T C 1.726 176.522 174.700 0.161 0.000 1.046 273 T CA 1.441 63.584 62.100 0.072 0.000 1.139 273 T CB -0.186 68.734 68.868 0.087 0.000 0.871 273 T HN 0.456 nan 8.240 nan 0.000 0.454 274 E N 0.848 121.104 120.200 0.092 0.000 2.047 274 E HA -0.025 4.326 4.350 0.001 0.000 0.191 274 E C 2.224 178.870 176.600 0.076 0.000 0.987 274 E CA 0.781 57.238 56.400 0.095 0.000 0.799 274 E CB -0.288 29.445 29.700 0.055 0.000 0.752 274 E HN 0.372 nan 8.360 nan 0.000 0.449 275 L N 0.600 121.815 121.223 -0.013 0.000 2.042 275 L HA -0.260 4.081 4.340 0.001 0.000 0.210 275 L C 2.597 179.508 176.870 0.069 0.000 1.076 275 L CA 0.927 55.760 54.840 -0.011 0.000 0.749 275 L CB -0.359 41.567 42.059 -0.221 0.000 0.893 275 L HN 0.330 nan 8.230 nan 0.000 0.432 276 C N -0.346 118.972 119.300 0.030 0.000 2.425 276 C HA -0.141 4.320 4.460 0.001 0.000 0.277 276 C C 2.647 177.795 174.990 0.264 0.000 1.280 276 C CA 0.418 59.472 59.018 0.060 0.000 1.744 276 C CB -0.686 27.009 27.740 -0.075 0.000 1.989 276 C HN 0.444 nan 8.230 nan 0.000 0.491 277 I N 0.479 121.232 120.570 0.305 0.000 2.439 277 I HA -0.202 3.969 4.170 0.001 0.000 0.251 277 I C 2.759 178.954 176.117 0.130 0.000 1.139 277 I CA 1.217 62.660 61.300 0.238 0.000 1.438 277 I CB -0.630 37.480 38.000 0.183 0.000 1.085 277 I HN 0.481 nan 8.210 nan 0.000 0.427 278 Q N 0.703 120.584 119.800 0.134 0.000 2.167 278 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 278 Q C 1.138 177.116 176.000 -0.037 0.000 0.970 278 Q CA 1.549 57.387 55.803 0.059 0.000 0.855 278 Q CB 0.057 28.860 28.738 0.107 0.000 0.911 278 Q HN 0.552 nan 8.270 nan 0.000 0.438 279 H N -1.299 117.754 119.070 -0.029 0.000 2.567 279 H HA 0.291 4.848 4.556 0.001 0.000 0.294 279 H C 0.443 175.740 175.328 -0.051 0.000 1.050 279 H CA 0.630 56.633 56.048 -0.075 0.000 1.168 279 H CB 0.597 30.266 29.762 -0.156 0.000 1.422 279 H HN 0.477 nan 8.280 nan 0.000 0.562 280 G N -0.076 108.760 108.800 0.060 0.000 2.142 280 G HA2 -0.264 3.697 3.960 0.001 0.000 0.225 280 G HA3 -0.264 3.697 3.960 0.001 0.000 0.225 280 G C -0.180 174.784 174.900 0.107 0.000 1.015 280 G CA -0.005 45.120 45.100 0.042 0.000 0.716 280 G HN 0.436 nan 8.290 nan 0.000 0.508 281 W N 1.641 122.920 121.300 -0.036 0.000 2.315 281 W HA 0.671 5.331 4.660 0.001 0.000 0.316 281 W C 0.244 176.753 176.519 -0.017 0.000 1.211 281 W CA -0.345 56.981 57.345 -0.032 0.000 1.201 281 W CB 1.055 30.502 29.460 -0.020 0.000 1.184 281 W HN 0.071 nan 8.180 nan 0.000 0.544 282 T N 9.444 123.637 114.554 -0.602 0.000 2.782 282 T HA 0.198 4.549 4.350 0.001 0.000 0.298 282 T C -2.020 171.877 174.700 -1.338 0.000 0.944 282 T CA -0.811 60.882 62.100 -0.679 0.000 1.001 282 T CB 0.303 68.966 68.868 -0.342 0.000 0.932 282 T HN 0.249 nan 8.240 nan 0.000 0.524 283 P HA 0.440 nan 4.420 nan 0.000 0.276 283 P C 0.293 177.194 177.300 -0.666 0.000 1.261 283 P CA -0.327 61.943 63.100 -1.383 0.000 0.800 283 P CB 1.228 32.406 31.700 -0.870 0.000 1.066 284 G N 0.288 108.848 108.800 -0.400 0.000 3.039 284 G HA2 0.399 4.360 3.960 0.001 0.000 0.159 284 G HA3 0.399 4.360 3.960 0.001 0.000 0.159 284 G C -0.145 174.507 174.900 -0.413 0.000 1.284 284 G CA -0.499 44.467 45.100 -0.222 0.000 0.996 284 G HN 0.721 nan 8.290 nan 0.000 0.592 285 N N -0.539 118.085 118.700 -0.128 0.000 2.528 285 N HA 0.219 4.960 4.740 0.001 0.000 0.266 285 N C -0.092 175.490 175.510 0.120 0.000 1.528 285 N CA 0.042 53.032 53.050 -0.099 0.000 0.959 285 N CB 0.385 38.770 38.487 -0.170 0.000 1.430 285 N HN 0.743 nan 8.380 nan 0.000 0.511 286 G N -0.075 108.873 108.800 0.247 0.000 2.471 286 G HA2 0.373 4.334 3.960 0.001 0.000 0.332 286 G HA3 0.373 4.334 3.960 0.001 0.000 0.332 286 G C 0.500 175.465 174.900 0.108 0.000 1.176 286 G CA -0.576 44.621 45.100 0.162 0.000 0.949 286 G HN 0.061 nan 8.290 nan 0.000 0.488 287 R N -0.301 120.158 120.500 -0.069 0.000 2.189 287 R HA 0.044 4.385 4.340 0.001 0.000 0.218 287 R C -0.088 175.809 176.300 -0.672 0.000 1.074 287 R CA 0.715 56.594 56.100 -0.368 0.000 0.991 287 R CB -0.119 29.868 30.300 -0.522 0.000 0.883 287 R HN 0.455 nan 8.270 nan 0.000 0.457 288 F N 0.777 120.682 119.950 -0.075 0.000 2.597 288 F HA 0.266 4.793 4.527 0.001 0.000 0.336 288 F C -0.630 175.103 175.800 -0.111 0.000 1.432 288 F CA -1.247 56.463 58.000 -0.483 0.000 1.120 288 F CB 0.580 39.133 39.000 -0.746 0.000 1.253 288 F HN -0.369 nan 8.300 nan 0.000 0.546 289 D N 1.401 121.946 120.400 0.242 0.000 2.280 289 D HA 0.240 4.880 4.640 0.001 0.000 0.243 289 D C 0.165 176.708 176.300 0.405 0.000 1.129 289 D CA 0.013 54.227 54.000 0.356 0.000 0.848 289 D CB 2.221 43.279 40.800 0.431 0.000 1.107 289 D HN -0.064 nan 8.370 nan 0.000 0.471 290 V N 3.506 123.629 119.914 0.349 0.000 2.599 290 V HA 0.009 4.130 4.120 0.001 0.000 0.300 290 V C 0.934 177.026 176.094 -0.002 0.000 1.034 290 V CA -0.208 62.178 62.300 0.143 0.000 1.115 290 V CB 0.316 32.173 31.823 0.057 0.000 0.934 290 V HN 0.336 nan 8.190 nan 0.000 0.485 291 L N 7.709 128.831 121.223 -0.168 0.000 2.395 291 L HA 0.417 4.758 4.340 0.001 0.000 0.269 291 L C -1.773 174.848 176.870 -0.415 0.000 1.133 291 L CA -1.493 53.105 54.840 -0.402 0.000 0.812 291 L CB 1.247 43.103 42.059 -0.339 0.000 1.125 291 L HN 0.494 nan 8.230 nan 0.000 0.452 292 P HA 0.261 nan 4.420 nan 0.000 0.278 292 P C -1.068 176.045 177.300 -0.312 0.000 1.258 292 P CA -0.554 62.278 63.100 -0.447 0.000 0.811 292 P CB 1.195 32.492 31.700 -0.672 0.000 1.063 293 L N 0.944 122.068 121.223 -0.166 0.000 2.357 293 L HA 0.387 4.727 4.340 0.001 0.000 0.273 293 L C 0.456 177.266 176.870 -0.100 0.000 1.080 293 L CA -0.730 54.062 54.840 -0.080 0.000 0.803 293 L CB 0.545 42.630 42.059 0.043 0.000 1.174 293 L HN 0.208 nan 8.230 nan 0.000 0.443 294 L N 4.816 125.974 121.223 -0.107 0.000 2.337 294 L HA 0.449 4.789 4.340 0.001 0.000 0.269 294 L C -0.796 175.970 176.870 -0.172 0.000 1.018 294 L CA -0.212 54.478 54.840 -0.250 0.000 0.876 294 L CB 0.921 42.759 42.059 -0.368 0.000 1.236 294 L HN 0.430 nan 8.230 nan 0.000 0.436 295 L N 3.591 124.782 121.223 -0.054 0.000 2.295 295 L HA 0.493 4.834 4.340 0.001 0.000 0.285 295 L C -0.172 176.643 176.870 -0.091 0.000 1.035 295 L CA -0.314 54.524 54.840 -0.003 0.000 0.806 295 L CB 1.722 43.837 42.059 0.093 0.000 1.214 295 L HN 0.564 nan 8.230 nan 0.000 0.426 296 Q N 2.643 122.386 119.800 -0.094 0.000 2.333 296 Q HA 0.662 5.003 4.340 0.001 0.000 0.268 296 Q C -1.066 174.873 176.000 -0.102 0.000 1.007 296 Q CA -0.606 55.129 55.803 -0.113 0.000 0.810 296 Q CB 2.179 30.876 28.738 -0.068 0.000 1.264 296 Q HN 0.787 nan 8.270 nan 0.000 0.452 297 A N 5.093 127.814 122.820 -0.166 0.000 2.293 297 A HA 0.632 4.952 4.320 0.001 0.000 0.302 297 A C -2.421 174.910 177.584 -0.422 0.000 1.119 297 A CA -1.654 50.149 52.037 -0.390 0.000 0.823 297 A CB 0.233 19.120 19.000 -0.188 0.000 1.097 297 A HN 0.623 nan 8.150 nan 0.000 0.491 298 P HA -0.028 nan 4.420 nan 0.000 0.261 298 P C -0.570 176.623 177.300 -0.178 0.000 1.165 298 P CA 0.879 63.755 63.100 -0.373 0.000 0.759 298 P CB 0.120 31.584 31.700 -0.395 0.000 0.772 299 D N -0.133 120.210 120.400 -0.095 0.000 2.792 299 D HA -0.197 4.444 4.640 0.001 0.000 0.231 299 D C 0.078 176.356 176.300 -0.036 0.000 1.160 299 D CA 1.290 55.266 54.000 -0.040 0.000 0.697 299 D CB -0.481 40.300 40.800 -0.033 0.000 1.070 299 D HN 0.457 nan 8.370 nan 0.000 0.426 300 E N -0.750 119.420 120.200 -0.051 0.000 2.336 300 E HA 0.684 5.035 4.350 0.001 0.000 0.267 300 E C -0.099 176.477 176.600 -0.041 0.000 0.906 300 E CA -0.794 55.578 56.400 -0.047 0.000 0.781 300 E CB 1.784 31.442 29.700 -0.069 0.000 1.261 300 E HN 0.122 nan 8.360 nan 0.000 0.436 301 A N 2.645 125.439 122.820 -0.043 0.000 2.407 301 A HA 0.441 4.762 4.320 0.001 0.000 0.248 301 A C -2.029 175.453 177.584 -0.170 0.000 1.082 301 A CA -0.957 51.046 52.037 -0.056 0.000 0.785 301 A CB -0.386 18.601 19.000 -0.021 0.000 1.020 301 A HN 0.281 nan 8.150 nan 0.000 0.489 302 P HA 0.206 nan 4.420 nan 0.000 0.272 302 P C -0.652 176.399 177.300 -0.415 0.000 1.223 302 P CA 0.085 62.834 63.100 -0.585 0.000 0.784 302 P CB 0.770 31.656 31.700 -1.357 0.000 0.923 303 E N 0.444 120.407 120.200 -0.394 0.000 2.227 303 E HA 0.447 4.798 4.350 0.001 0.000 0.268 303 E C -0.836 175.314 176.600 -0.749 0.000 0.907 303 E CA -1.109 54.980 56.400 -0.518 0.000 0.786 303 E CB 1.773 31.139 29.700 -0.557 0.000 1.191 303 E HN 0.274 nan 8.360 nan 0.000 0.411 304 L N 2.573 123.319 121.223 -0.794 0.000 2.292 304 L HA 0.432 4.772 4.340 0.001 0.000 0.284 304 L C -1.578 174.690 176.870 -1.004 0.000 1.065 304 L CA 0.035 54.473 54.840 -0.670 0.000 0.806 304 L CB 0.217 42.071 42.059 -0.343 0.000 1.175 304 L HN 0.394 nan 8.230 nan 0.000 0.431 305 F N 4.381 124.080 119.950 -0.418 0.000 2.617 305 F HA 0.384 4.912 4.527 0.001 0.000 0.325 305 F C -0.378 175.146 175.800 -0.459 0.000 1.179 305 F CA -0.850 56.745 58.000 -0.674 0.000 0.965 305 F CB 1.595 39.768 39.000 -1.378 0.000 1.232 305 F HN -0.005 nan 8.300 nan 0.000 0.461 306 V N 4.965 124.822 119.914 -0.095 0.000 2.432 306 V HA 0.213 4.334 4.120 0.001 0.000 0.271 306 V C 0.411 176.615 176.094 0.183 0.000 1.046 306 V CA -0.583 61.733 62.300 0.025 0.000 0.945 306 V CB 0.966 32.843 31.823 0.090 0.000 0.992 306 V HN 0.554 nan 8.190 nan 0.000 0.471 307 L N 7.707 129.038 121.223 0.180 0.000 2.453 307 L HA 0.210 4.551 4.340 0.001 0.000 0.272 307 L C -2.041 174.923 176.870 0.157 0.000 1.182 307 L CA -1.310 53.667 54.840 0.228 0.000 0.858 307 L CB 0.358 42.488 42.059 0.118 0.000 1.120 307 L HN 0.448 nan 8.230 nan 0.000 0.474 308 P HA 0.102 nan 4.420 nan 0.000 0.270 308 P C -2.001 175.337 177.300 0.063 0.000 1.242 308 P CA -1.039 62.115 63.100 0.091 0.000 0.768 308 P CB 0.564 32.297 31.700 0.055 0.000 0.820 309 P HA -0.280 nan 4.420 nan 0.000 0.218 309 P C 1.407 178.732 177.300 0.042 0.000 1.152 309 P CA 1.467 64.604 63.100 0.060 0.000 0.857 309 P CB -0.118 31.622 31.700 0.066 0.000 0.787 310 E N -0.325 119.895 120.200 0.033 0.000 2.204 310 E HA -0.130 4.221 4.350 0.001 0.000 0.194 310 E C 1.925 178.532 176.600 0.013 0.000 0.989 310 E CA 1.020 57.432 56.400 0.020 0.000 0.824 310 E CB -1.142 28.566 29.700 0.014 0.000 0.756 310 E HN 0.300 nan 8.360 nan 0.000 0.477 311 L N 1.129 122.359 121.223 0.012 0.000 2.109 311 L HA 0.002 4.343 4.340 0.001 0.000 0.207 311 L C 1.043 177.921 176.870 0.013 0.000 1.086 311 L CA 0.404 55.247 54.840 0.005 0.000 0.760 311 L CB 0.125 42.179 42.059 -0.009 0.000 0.910 311 L HN -0.070 nan 8.230 nan 0.000 0.437 312 V N 2.399 122.324 119.914 0.018 0.000 2.313 312 V HA 0.058 4.179 4.120 0.001 0.000 0.252 312 V C 0.123 176.238 176.094 0.034 0.000 1.112 312 V CA -0.402 61.910 62.300 0.019 0.000 0.984 312 V CB 0.633 32.461 31.823 0.008 0.000 1.157 312 V HN 0.070 nan 8.190 nan 0.000 0.493 313 L N 5.856 127.101 121.223 0.037 0.000 2.361 313 L HA 0.397 4.738 4.340 0.001 0.000 0.278 313 L C 0.205 177.100 176.870 0.043 0.000 1.113 313 L CA 0.697 55.551 54.840 0.023 0.000 0.849 313 L CB 0.315 42.378 42.059 0.006 0.000 1.155 313 L HN 0.630 nan 8.230 nan 0.000 0.452 314 E N 3.401 123.614 120.200 0.021 0.000 2.277 314 E HA 0.577 4.927 4.350 0.001 0.000 0.266 314 E C -1.391 175.166 176.600 -0.072 0.000 0.901 314 E CA -0.994 55.427 56.400 0.034 0.000 0.782 314 E CB 2.441 32.196 29.700 0.092 0.000 1.228 314 E HN 0.384 nan 8.360 nan 0.000 0.424 315 V N 3.514 123.356 119.914 -0.119 0.000 2.378 315 V HA 0.318 4.439 4.120 0.001 0.000 0.288 315 V C -2.249 173.798 176.094 -0.078 0.000 1.016 315 V CA -1.905 60.261 62.300 -0.222 0.000 0.840 315 V CB 1.285 32.709 31.823 -0.667 0.000 0.994 315 V HN 0.558 nan 8.190 nan 0.000 0.431 316 P HA 0.280 nan 4.420 nan 0.000 0.282 316 P C -0.689 176.619 177.300 0.013 0.000 1.262 316 P CA -0.166 62.916 63.100 -0.030 0.000 0.773 316 P CB 1.086 32.773 31.700 -0.023 0.000 0.879 317 L N 3.939 125.199 121.223 0.061 0.000 2.331 317 L HA 0.378 4.718 4.340 0.001 0.000 0.278 317 L C 1.161 178.121 176.870 0.151 0.000 1.106 317 L CA 0.024 54.933 54.840 0.115 0.000 0.824 317 L CB 0.255 42.432 42.059 0.198 0.000 1.142 317 L HN 0.521 nan 8.230 nan 0.000 0.443 318 E N 1.834 122.057 120.200 0.039 0.000 2.413 318 E HA 0.373 4.724 4.350 0.001 0.000 0.277 318 E C -1.390 175.116 176.600 -0.157 0.000 0.958 318 E CA -0.956 55.467 56.400 0.038 0.000 0.779 318 E CB 2.030 31.785 29.700 0.092 0.000 1.278 318 E HN 0.485 nan 8.360 nan 0.000 0.456 319 H N 1.743 120.595 119.070 -0.363 0.000 2.463 319 H HA 0.223 4.780 4.556 0.001 0.000 0.332 319 H C -1.672 173.390 175.328 -0.443 0.000 1.127 319 H CA -2.182 53.565 56.048 -0.503 0.000 1.238 319 H CB 1.953 31.355 29.762 -0.599 0.000 1.478 319 H HN 0.441 nan 8.280 nan 0.000 0.499 320 P HA -0.132 nan 4.420 nan 0.000 0.218 320 P C 1.010 178.107 177.300 -0.338 0.000 1.148 320 P CA 1.710 64.276 63.100 -0.889 0.000 0.822 320 P CB 0.376 31.518 31.700 -0.931 0.000 0.784 321 T N -4.412 110.091 114.554 -0.085 0.000 2.964 321 T HA 0.201 4.552 4.350 0.001 0.000 0.249 321 T C 0.871 175.574 174.700 0.005 0.000 1.000 321 T CA -0.189 61.920 62.100 0.015 0.000 0.992 321 T CB -0.576 68.318 68.868 0.044 0.000 1.087 321 T HN -0.060 nan 8.240 nan 0.000 0.489 322 L N 3.544 124.755 121.223 -0.020 0.000 2.334 322 L HA 0.406 4.746 4.340 0.001 0.000 0.286 322 L C 1.563 178.138 176.870 -0.492 0.000 1.108 322 L CA -0.643 53.917 54.840 -0.466 0.000 0.875 322 L CB 0.836 42.263 42.059 -1.053 0.000 1.246 322 L HN 0.294 nan 8.230 nan 0.000 0.439 323 E N 3.445 123.494 120.200 -0.252 0.000 2.118 323 E HA -0.249 4.102 4.350 0.001 0.000 0.195 323 E C 1.740 178.308 176.600 -0.055 0.000 0.992 323 E CA 1.464 57.809 56.400 -0.093 0.000 0.804 323 E CB -0.262 29.452 29.700 0.024 0.000 0.741 323 E HN 0.751 nan 8.360 nan 0.000 0.458 324 W N -0.130 121.230 121.300 0.099 0.000 2.525 324 W HA 0.029 4.690 4.660 0.001 0.000 0.259 324 W C 1.210 177.789 176.519 0.099 0.000 1.253 324 W CA 0.013 57.402 57.345 0.074 0.000 1.262 324 W CB -0.863 28.615 29.460 0.031 0.000 1.122 324 W HN -0.015 nan 8.180 nan 0.000 0.607 325 F N 2.964 122.587 119.950 -0.545 0.000 2.102 325 F HA -0.066 4.462 4.527 0.001 0.000 0.298 325 F C 2.706 178.490 175.800 -0.028 0.000 1.105 325 F CA 2.621 60.410 58.000 -0.352 0.000 1.239 325 F CB -0.828 37.845 39.000 -0.546 0.000 0.991 325 F HN -0.082 nan 8.300 nan 0.000 0.474 326 A N 0.297 123.274 122.820 0.262 0.000 1.940 326 A HA -0.137 4.184 4.320 0.001 0.000 0.219 326 A C 2.331 180.008 177.584 0.155 0.000 1.176 326 A CA 1.775 53.939 52.037 0.211 0.000 0.631 326 A CB -1.587 17.491 19.000 0.129 0.000 0.814 326 A HN 0.457 nan 8.150 nan 0.000 0.446 327 A N -0.604 122.305 122.820 0.148 0.000 2.225 327 A HA 0.087 4.408 4.320 0.001 0.000 0.215 327 A C 1.870 179.521 177.584 0.112 0.000 1.164 327 A CA 1.115 53.230 52.037 0.130 0.000 0.710 327 A CB -0.590 18.500 19.000 0.150 0.000 0.780 327 A HN 0.510 nan 8.150 nan 0.000 0.473 328 L N -1.498 119.780 121.223 0.091 0.000 2.478 328 L HA 0.085 4.425 4.340 0.001 0.000 0.223 328 L C 1.917 178.847 176.870 0.100 0.000 1.140 328 L CA 0.588 55.459 54.840 0.052 0.000 0.842 328 L CB -0.419 41.587 42.059 -0.089 0.000 0.953 328 L HN 0.555 nan 8.230 nan 0.000 0.452 329 G N 0.065 108.932 108.800 0.110 0.000 2.168 329 G HA2 -0.274 3.687 3.960 0.001 0.000 0.263 329 G HA3 -0.274 3.687 3.960 0.001 0.000 0.263 329 G C 0.171 175.130 174.900 0.098 0.000 0.977 329 G CA -0.118 45.055 45.100 0.121 0.000 0.659 329 G HN 0.111 nan 8.290 nan 0.000 0.533 330 L N 0.455 121.727 121.223 0.080 0.000 2.467 330 L HA 0.647 4.988 4.340 0.001 0.000 0.270 330 L C 1.154 177.846 176.870 -0.296 0.000 1.205 330 L CA 0.471 55.261 54.840 -0.084 0.000 0.828 330 L CB 0.380 42.502 42.059 0.106 0.000 1.101 330 L HN 0.716 nan 8.230 nan 0.000 0.479 331 R N 1.327 121.412 120.500 -0.692 0.000 2.728 331 R HA 0.482 4.823 4.340 0.001 0.000 0.274 331 R C -2.013 174.160 176.300 -0.211 0.000 1.032 331 R CA -0.950 54.920 56.100 -0.383 0.000 0.866 331 R CB 1.317 31.376 30.300 -0.403 0.000 1.263 331 R HN 0.602 nan 8.270 nan 0.000 0.475 332 W N 2.296 123.544 121.300 -0.087 0.000 3.296 332 W HA 0.323 4.984 4.660 0.002 0.000 0.314 332 W C -1.010 175.630 176.519 0.202 0.000 1.238 332 W CA -0.997 56.418 57.345 0.117 0.000 1.193 332 W CB 1.854 31.306 29.460 -0.013 0.000 1.383 332 W HN 0.705 nan 8.180 nan 0.000 0.545 333 Y N 1.418 121.660 120.300 -0.095 0.000 2.426 333 Y HA 0.442 4.993 4.550 0.001 0.000 0.344 333 Y C 0.791 176.897 175.900 0.343 0.000 1.256 333 Y CA 0.526 58.632 58.100 0.010 0.000 1.451 333 Y CB 0.125 38.445 38.460 -0.234 0.000 1.342 333 Y HN 0.340 nan 8.280 nan 0.000 0.600 334 A N 2.088 125.138 122.820 0.384 0.000 2.030 334 A HA 0.134 4.455 4.320 0.001 0.000 0.215 334 A C 0.374 178.232 177.584 0.457 0.000 1.164 334 A CA 0.192 52.462 52.037 0.388 0.000 0.697 334 A CB -0.188 18.883 19.000 0.119 0.000 0.827 334 A HN 0.666 nan 8.150 nan 0.000 0.457 335 L N 1.929 123.398 121.223 0.409 0.000 2.265 335 L HA 0.440 4.780 4.340 0.001 0.000 0.289 335 L C -2.602 174.418 176.870 0.250 0.000 1.033 335 L CA -2.132 52.866 54.840 0.264 0.000 0.814 335 L CB 1.689 43.846 42.059 0.163 0.000 1.203 335 L HN -0.036 nan 8.230 nan 0.000 0.423 336 P HA 0.340 nan 4.420 nan 0.000 0.285 336 P C -1.465 175.755 177.300 -0.134 0.000 1.448 336 P CA -0.339 62.662 63.100 -0.165 0.000 0.953 336 P CB 1.270 32.476 31.700 -0.823 0.000 1.175 337 A N 4.508 127.258 122.820 -0.115 0.000 2.409 337 A HA 0.423 4.744 4.320 0.001 0.000 0.300 337 A C -0.124 177.259 177.584 -0.335 0.000 1.273 337 A CA -0.674 51.227 52.037 -0.226 0.000 0.774 337 A CB 0.845 19.747 19.000 -0.163 0.000 1.144 337 A HN 0.287 nan 8.150 nan 0.000 0.472 338 V N 3.136 122.693 119.914 -0.595 0.000 2.479 338 V HA 0.181 4.302 4.120 0.001 0.000 0.281 338 V C 1.211 176.938 176.094 -0.611 0.000 1.031 338 V CA 1.119 63.040 62.300 -0.631 0.000 1.038 338 V CB 0.810 32.078 31.823 -0.926 0.000 0.981 338 V HN 1.045 nan 8.190 nan 0.000 0.478 339 S N 1.990 117.526 115.700 -0.273 0.000 2.629 339 S HA 0.050 4.521 4.470 0.001 0.000 0.236 339 S C 0.836 175.433 174.600 -0.005 0.000 1.010 339 S CA 0.041 58.164 58.200 -0.129 0.000 0.981 339 S CB -0.373 62.786 63.200 -0.069 0.000 0.919 339 S HN 0.919 nan 8.310 nan 0.000 0.514 340 N N 0.410 119.111 118.700 0.002 0.000 2.187 340 N HA 0.275 5.016 4.740 0.001 0.000 0.212 340 N C 0.029 175.611 175.510 0.119 0.000 1.152 340 N CA -0.433 52.662 53.050 0.075 0.000 0.872 340 N CB 0.162 38.695 38.487 0.078 0.000 1.025 340 N HN 0.285 nan 8.380 nan 0.000 0.514 341 M N 1.399 121.086 119.600 0.145 0.000 2.444 341 M HA 0.350 4.831 4.480 0.001 0.000 0.319 341 M C -0.665 175.794 176.300 0.265 0.000 1.183 341 M CA -0.845 54.584 55.300 0.215 0.000 1.032 341 M CB 2.613 35.370 32.600 0.262 0.000 1.569 341 M HN 0.091 nan 8.290 nan 0.000 0.468 342 L N 2.979 124.336 121.223 0.223 0.000 2.295 342 L HA 0.520 4.860 4.340 0.001 0.000 0.285 342 L C -1.347 175.635 176.870 0.187 0.000 1.035 342 L CA -0.935 54.022 54.840 0.195 0.000 0.806 342 L CB 1.080 43.206 42.059 0.112 0.000 1.214 342 L HN 0.584 nan 8.230 nan 0.000 0.426 343 L N 5.388 126.718 121.223 0.178 0.000 2.264 343 L HA 0.458 4.799 4.340 0.001 0.000 0.289 343 L C -0.495 176.392 176.870 0.027 0.000 1.044 343 L CA 0.258 55.069 54.840 -0.047 0.000 0.807 343 L CB 1.149 43.151 42.059 -0.094 0.000 1.192 343 L HN 0.653 nan 8.230 nan 0.000 0.425 344 E N 6.517 126.645 120.200 -0.120 0.000 2.145 344 E HA 0.408 4.759 4.350 0.001 0.000 0.270 344 E C -1.629 174.882 176.600 -0.149 0.000 0.906 344 E CA -0.467 55.894 56.400 -0.066 0.000 0.761 344 E CB 1.156 30.811 29.700 -0.077 0.000 1.116 344 E HN 0.734 nan 8.360 nan 0.000 0.408 345 I N 2.644 123.143 120.570 -0.118 0.000 2.468 345 I HA 0.281 4.452 4.170 0.001 0.000 0.285 345 I C 0.776 176.672 176.117 -0.368 0.000 1.039 345 I CA -0.645 60.437 61.300 -0.363 0.000 1.074 345 I CB 2.012 39.714 38.000 -0.497 0.000 1.228 345 I HN 0.784 nan 8.210 nan 0.000 0.436 346 G N 4.180 112.786 108.800 -0.323 0.000 2.341 346 G HA2 -0.094 3.867 3.960 0.001 0.000 0.292 346 G HA3 -0.094 3.867 3.960 0.001 0.000 0.292 346 G C 1.022 175.993 174.900 0.118 0.000 1.021 346 G CA 0.772 45.876 45.100 0.006 0.000 0.905 346 G HN 1.573 nan 8.290 nan 0.000 0.508 347 G N -1.999 106.820 108.800 0.032 0.000 2.241 347 G HA2 -0.233 3.728 3.960 0.001 0.000 0.244 347 G HA3 -0.233 3.728 3.960 0.001 0.000 0.244 347 G C 0.541 175.409 174.900 -0.053 0.000 0.998 347 G CA 0.434 45.555 45.100 0.034 0.000 0.621 347 G HN 1.281 nan 8.290 nan 0.000 0.519 348 L N 0.822 121.969 121.223 -0.127 0.000 2.375 348 L HA 0.623 4.964 4.340 0.001 0.000 0.271 348 L C 0.290 176.988 176.870 -0.286 0.000 1.107 348 L CA -0.385 54.272 54.840 -0.306 0.000 0.806 348 L CB 1.060 42.852 42.059 -0.446 0.000 1.146 348 L HN 0.215 nan 8.230 nan 0.000 0.447 349 E N 2.131 122.066 120.200 -0.441 0.000 2.199 349 E HA 0.417 4.768 4.350 0.001 0.000 0.265 349 E C -1.582 174.725 176.600 -0.487 0.000 0.882 349 E CA -0.438 55.788 56.400 -0.289 0.000 0.759 349 E CB 1.929 31.536 29.700 -0.155 0.000 1.148 349 E HN 0.253 nan 8.360 nan 0.000 0.412 350 F N 1.794 121.719 119.950 -0.042 0.000 2.359 350 F HA 0.118 4.646 4.527 0.001 0.000 0.369 350 F C 1.443 177.285 175.800 0.071 0.000 1.084 350 F CA -0.652 57.352 58.000 0.008 0.000 1.096 350 F CB 1.332 40.321 39.000 -0.018 0.000 1.335 350 F HN 0.443 nan 8.300 nan 0.000 0.457 351 S N 1.426 117.234 115.700 0.180 0.000 2.507 351 S HA 0.216 4.687 4.470 0.001 0.000 0.235 351 S C 0.740 175.478 174.600 0.229 0.000 0.988 351 S CA 0.419 58.726 58.200 0.178 0.000 0.944 351 S CB -0.047 63.233 63.200 0.133 0.000 0.762 351 S HN 0.529 nan 8.310 nan 0.000 0.526 352 A N 0.321 123.321 122.820 0.299 0.000 2.522 352 A HA 0.818 5.139 4.320 0.001 0.000 0.285 352 A C -0.202 177.644 177.584 0.437 0.000 1.198 352 A CA -0.149 52.089 52.037 0.335 0.000 0.742 352 A CB 0.891 20.060 19.000 0.281 0.000 1.176 352 A HN 1.041 nan 8.150 nan 0.000 0.444 353 A N 3.982 127.010 122.820 0.347 0.000 3.422 353 A HA 0.631 4.952 4.320 0.001 0.000 0.271 353 A C -2.971 174.783 177.584 0.283 0.000 1.104 353 A CA -0.943 51.264 52.037 0.284 0.000 0.899 353 A CB 0.355 19.518 19.000 0.270 0.000 1.309 353 A HN 0.503 nan 8.150 nan 0.000 0.580 354 P HA 0.355 nan 4.420 nan 0.000 0.265 354 P C -0.741 176.570 177.300 0.019 0.000 1.193 354 P CA 0.550 63.622 63.100 -0.046 0.000 0.765 354 P CB 0.172 31.794 31.700 -0.129 0.000 0.823 355 F N 0.067 119.956 119.950 -0.102 0.000 2.576 355 F HA 0.779 5.307 4.527 0.001 0.000 0.313 355 F C -0.422 175.304 175.800 -0.124 0.000 1.078 355 F CA -1.101 56.839 58.000 -0.101 0.000 0.921 355 F CB 1.747 40.564 39.000 -0.305 0.000 1.232 355 F HN 0.422 nan 8.300 nan 0.000 0.459 356 S N 0.487 116.262 115.700 0.126 0.000 2.607 356 S HA 0.977 5.448 4.470 0.001 0.000 0.273 356 S C -0.722 173.826 174.600 -0.086 0.000 1.148 356 S CA -0.170 58.038 58.200 0.013 0.000 0.833 356 S CB 1.562 64.849 63.200 0.145 0.000 1.130 356 S HN 1.558 nan 8.310 nan 0.000 0.470 357 G N -0.270 108.453 108.800 -0.129 0.000 3.535 357 G HA2 0.639 4.599 3.960 0.001 0.000 0.169 357 G HA3 0.639 4.599 3.960 0.001 0.000 0.169 357 G C -1.690 173.238 174.900 0.046 0.000 1.241 357 G CA -0.012 44.953 45.100 -0.225 0.000 1.334 357 G HN 1.289 nan 8.290 nan 0.000 0.717 358 W N -1.258 120.046 121.300 0.007 0.000 3.075 358 W HA 0.826 5.487 4.660 0.001 0.000 0.334 358 W C -1.649 174.884 176.519 0.024 0.000 1.243 358 W CA -2.029 55.334 57.345 0.030 0.000 1.170 358 W CB 0.404 29.927 29.460 0.105 0.000 1.452 358 W HN 0.404 nan 8.180 nan 0.000 0.572 359 Y N 2.425 122.944 120.300 0.365 0.000 2.314 359 Y HA 0.347 4.898 4.550 0.001 0.000 0.334 359 Y C 0.774 176.778 175.900 0.173 0.000 1.266 359 Y CA -0.744 57.459 58.100 0.171 0.000 1.391 359 Y CB 1.113 39.591 38.460 0.030 0.000 1.306 359 Y HN 0.447 nan 8.280 nan 0.000 0.558 360 M N 1.597 121.375 119.600 0.297 0.000 2.205 360 M HA 0.215 4.696 4.480 0.001 0.000 0.344 360 M C 0.925 177.231 176.300 0.011 0.000 1.085 360 M CA -0.366 55.029 55.300 0.158 0.000 1.001 360 M CB 1.224 33.893 32.600 0.115 0.000 1.626 360 M HN 0.818 nan 8.290 nan 0.000 0.442 361 S N 1.221 116.889 115.700 -0.054 0.000 2.413 361 S HA -0.214 4.257 4.470 0.001 0.000 0.237 361 S C 1.450 175.897 174.600 -0.254 0.000 1.044 361 S CA 2.248 60.328 58.200 -0.201 0.000 1.024 361 S CB -1.419 61.706 63.200 -0.125 0.000 0.829 361 S HN 0.928 nan 8.310 nan 0.000 0.475 362 T N 0.366 114.796 114.554 -0.206 0.000 2.915 362 T HA -0.023 4.328 4.350 0.001 0.000 0.269 362 T C 1.575 176.106 174.700 -0.282 0.000 1.071 362 T CA 1.146 63.075 62.100 -0.284 0.000 1.132 362 T CB -0.575 68.084 68.868 -0.349 0.000 0.878 362 T HN 0.604 nan 8.240 nan 0.000 0.479 363 E N 1.011 121.065 120.200 -0.242 0.000 2.118 363 E HA -0.064 4.286 4.350 0.001 0.000 0.195 363 E C 2.055 178.380 176.600 -0.459 0.000 0.992 363 E CA 1.366 57.624 56.400 -0.236 0.000 0.804 363 E CB -0.320 29.363 29.700 -0.029 0.000 0.741 363 E HN 0.604 nan 8.360 nan 0.000 0.458 364 I N 0.043 120.201 120.570 -0.687 0.000 2.364 364 I HA -0.024 4.147 4.170 0.001 0.000 0.241 364 I C 2.590 178.325 176.117 -0.638 0.000 1.082 364 I CA 0.834 61.551 61.300 -0.971 0.000 1.401 364 I CB -0.485 36.796 38.000 -1.197 0.000 1.126 364 I HN 0.087 nan 8.210 nan 0.000 0.429 365 G N 0.357 108.887 108.800 -0.451 0.000 2.408 365 G HA2 -0.145 3.816 3.960 0.001 0.000 0.217 365 G HA3 -0.145 3.816 3.960 0.001 0.000 0.217 365 G C 1.593 176.368 174.900 -0.208 0.000 1.150 365 G CA 1.374 46.310 45.100 -0.273 0.000 0.776 365 G HN 0.282 nan 8.290 nan 0.000 0.542 366 T N 0.224 114.636 114.554 -0.238 0.000 2.914 366 T HA 0.089 4.440 4.350 0.001 0.000 0.240 366 T C 2.515 177.108 174.700 -0.179 0.000 1.025 366 T CA 0.301 62.286 62.100 -0.191 0.000 1.198 366 T CB 0.003 68.741 68.868 -0.216 0.000 0.892 366 T HN -0.005 nan 8.240 nan 0.000 0.417 367 R N 2.050 122.425 120.500 -0.207 0.000 2.075 367 R HA 0.068 4.409 4.340 0.001 0.000 0.230 367 R C 2.213 178.406 176.300 -0.179 0.000 1.140 367 R CA 1.263 57.255 56.100 -0.179 0.000 0.928 367 R CB -1.339 28.857 30.300 -0.174 0.000 0.834 367 R HN 0.336 nan 8.270 nan 0.000 0.429 368 N N 0.924 119.468 118.700 -0.260 0.000 2.104 368 N HA -0.117 4.624 4.740 0.001 0.000 0.190 368 N C 1.953 177.387 175.510 -0.126 0.000 1.024 368 N CA 1.171 54.068 53.050 -0.255 0.000 0.853 368 N CB -0.240 37.808 38.487 -0.731 0.000 1.008 368 N HN 0.213 nan 8.380 nan 0.000 0.424 369 L N -1.024 120.073 121.223 -0.209 0.000 2.416 369 L HA 0.109 4.450 4.340 0.001 0.000 0.216 369 L C 1.492 178.384 176.870 0.038 0.000 1.098 369 L CA 0.245 55.060 54.840 -0.043 0.000 0.840 369 L CB 0.275 42.271 42.059 -0.106 0.000 0.981 369 L HN 0.151 nan 8.230 nan 0.000 0.462 370 C N -1.601 117.685 119.300 -0.024 0.000 2.935 370 C HA 0.152 4.612 4.460 0.001 0.000 0.308 370 C C 0.782 175.770 174.990 -0.003 0.000 1.263 370 C CA -0.835 58.183 59.018 -0.001 0.000 1.738 370 C CB -0.171 27.552 27.740 -0.028 0.000 2.237 370 C HN 0.301 nan 8.230 nan 0.000 0.600 371 D N 2.766 123.143 120.400 -0.039 0.000 2.525 371 D HA 0.014 4.655 4.640 0.001 0.000 0.235 371 D C -1.030 175.287 176.300 0.028 0.000 1.137 371 D CA -1.102 52.880 54.000 -0.031 0.000 0.868 371 D CB 0.577 41.269 40.800 -0.180 0.000 1.180 371 D HN 0.219 nan 8.370 nan 0.000 0.465 372 P HA -0.191 nan 4.420 nan 0.000 0.216 372 P C 0.777 178.179 177.300 0.169 0.000 1.153 372 P CA 1.514 64.700 63.100 0.143 0.000 0.858 372 P CB -0.093 31.692 31.700 0.143 0.000 0.789 373 H N -2.005 117.074 119.070 0.017 0.000 2.538 373 H HA 0.338 4.895 4.556 0.001 0.000 0.286 373 H C 0.979 176.317 175.328 0.017 0.000 1.035 373 H CA -0.219 55.837 56.048 0.013 0.000 1.169 373 H CB -0.184 29.585 29.762 0.012 0.000 1.417 373 H HN -0.001 nan 8.280 nan 0.000 0.567 374 R N -0.293 120.122 120.500 -0.142 0.000 2.845 374 R HA 0.174 4.514 4.340 0.001 0.000 0.112 374 R C 1.050 177.326 176.300 -0.040 0.000 1.012 374 R CA -0.693 55.344 56.100 -0.104 0.000 0.744 374 R CB -0.824 29.425 30.300 -0.084 0.000 0.926 374 R HN 0.110 nan 8.270 nan 0.000 0.376 375 Y N 1.890 122.208 120.300 0.030 0.000 2.421 375 Y HA -0.025 4.526 4.550 0.001 0.000 0.292 375 Y C 0.766 176.693 175.900 0.044 0.000 1.136 375 Y CA 1.036 59.170 58.100 0.058 0.000 1.255 375 Y CB -0.162 38.376 38.460 0.130 0.000 0.991 375 Y HN 0.490 nan 8.280 nan 0.000 0.552 376 N N 1.285 120.076 118.700 0.152 0.000 2.669 376 N HA -0.228 4.513 4.740 0.001 0.000 0.266 376 N C 0.473 176.060 175.510 0.128 0.000 1.024 376 N CA 0.622 53.739 53.050 0.111 0.000 0.766 376 N CB -0.979 37.558 38.487 0.082 0.000 0.898 376 N HN 0.658 nan 8.380 nan 0.000 0.548 377 I N -2.930 117.725 120.570 0.142 0.000 3.793 377 I HA -0.018 4.152 4.170 0.001 0.000 0.315 377 I C 1.973 178.169 176.117 0.132 0.000 1.275 377 I CA -0.448 60.931 61.300 0.131 0.000 1.214 377 I CB -0.046 38.032 38.000 0.130 0.000 1.018 377 I HN 0.083 nan 8.210 nan 0.000 0.439 378 L N 1.957 123.269 121.223 0.147 0.000 1.976 378 L HA -0.308 4.033 4.340 0.001 0.000 0.223 378 L C 2.691 179.749 176.870 0.313 0.000 1.081 378 L CA 2.453 57.413 54.840 0.200 0.000 0.784 378 L CB -1.026 41.126 42.059 0.154 0.000 0.896 378 L HN 0.525 nan 8.230 nan 0.000 0.438 379 E N -1.083 119.320 120.200 0.338 0.000 2.058 379 E HA -0.251 4.099 4.350 0.001 0.000 0.194 379 E C 1.863 178.492 176.600 0.048 0.000 0.997 379 E CA 1.545 58.077 56.400 0.219 0.000 0.801 379 E CB -0.109 29.658 29.700 0.111 0.000 0.746 379 E HN 0.570 nan 8.360 nan 0.000 0.450 380 D N -0.030 120.398 120.400 0.046 0.000 2.133 380 D HA -0.166 4.474 4.640 0.001 0.000 0.195 380 D C 2.078 178.359 176.300 -0.032 0.000 0.997 380 D CA 1.510 55.504 54.000 -0.010 0.000 0.840 380 D CB 0.038 40.844 40.800 0.011 0.000 0.947 380 D HN 0.167 nan 8.370 nan 0.000 0.452 381 V N 1.673 121.612 119.914 0.042 0.000 2.358 381 V HA -0.205 3.916 4.120 0.001 0.000 0.246 381 V C 2.615 178.749 176.094 0.066 0.000 1.047 381 V CA 1.640 63.996 62.300 0.093 0.000 1.035 381 V CB -0.714 31.222 31.823 0.189 0.000 0.658 381 V HN 0.158 nan 8.190 nan 0.000 0.452 382 A N -0.076 122.807 122.820 0.105 0.000 1.908 382 A HA -0.168 4.152 4.320 0.001 0.000 0.218 382 A C 2.406 179.937 177.584 -0.090 0.000 1.181 382 A CA 2.112 54.203 52.037 0.090 0.000 0.627 382 A CB -0.714 18.410 19.000 0.207 0.000 0.818 382 A HN 0.332 nan 8.150 nan 0.000 0.445 383 V N -0.933 118.884 119.914 -0.161 0.000 2.343 383 V HA -0.318 3.803 4.120 0.001 0.000 0.247 383 V C 2.608 178.517 176.094 -0.307 0.000 1.051 383 V CA 2.071 64.238 62.300 -0.222 0.000 1.036 383 V CB -0.979 30.724 31.823 -0.200 0.000 0.654 383 V HN 0.717 nan 8.190 nan 0.000 0.451 384 C N -0.552 118.487 119.300 -0.436 0.000 2.432 384 C HA -0.086 4.375 4.460 0.001 0.000 0.280 384 C C 2.638 177.078 174.990 -0.918 0.000 1.353 384 C CA 0.874 59.352 59.018 -0.900 0.000 1.766 384 C CB -0.966 25.894 27.740 -1.467 0.000 1.924 384 C HN 0.531 nan 8.230 nan 0.000 0.509 385 M N -0.105 119.244 119.600 -0.417 0.000 2.595 385 M HA 0.028 4.508 4.480 0.001 0.000 0.248 385 M C 0.529 176.773 176.300 -0.094 0.000 1.119 385 M CA 0.861 56.107 55.300 -0.090 0.000 1.079 385 M CB -0.199 32.469 32.600 0.114 0.000 1.472 385 M HN 0.193 nan 8.290 nan 0.000 0.501 386 D N 1.594 121.894 120.400 -0.167 0.000 2.746 386 D HA -0.142 4.499 4.640 0.001 0.000 0.236 386 D C -0.884 175.369 176.300 -0.078 0.000 1.129 386 D CA 0.500 54.422 54.000 -0.131 0.000 0.691 386 D CB -1.061 39.672 40.800 -0.111 0.000 1.077 386 D HN 0.278 nan 8.370 nan 0.000 0.432 387 L N -0.211 120.969 121.223 -0.071 0.000 2.431 387 L HA 0.346 4.687 4.340 0.001 0.000 0.260 387 L C 1.135 177.941 176.870 -0.108 0.000 1.098 387 L CA -0.760 54.065 54.840 -0.026 0.000 0.800 387 L CB 0.562 42.668 42.059 0.080 0.000 1.210 387 L HN -0.039 nan 8.230 nan 0.000 0.465 388 D N 0.741 121.105 120.400 -0.060 0.000 2.416 388 D HA 0.008 4.649 4.640 0.001 0.000 0.240 388 D C 0.932 177.061 176.300 -0.285 0.000 1.250 388 D CA -0.032 53.904 54.000 -0.107 0.000 0.967 388 D CB 0.845 41.644 40.800 -0.003 0.000 1.059 388 D HN 0.615 nan 8.370 nan 0.000 0.512 389 T N 0.599 114.827 114.554 -0.543 0.000 3.148 389 T HA 0.053 4.404 4.350 0.001 0.000 0.253 389 T C 1.646 176.073 174.700 -0.456 0.000 1.134 389 T CA 0.056 61.521 62.100 -1.058 0.000 1.051 389 T CB 0.232 68.431 68.868 -1.115 0.000 0.959 389 T HN 0.254 nan 8.240 nan 0.000 0.525 390 R N 0.959 121.338 120.500 -0.202 0.000 2.062 390 R HA 0.068 4.409 4.340 0.001 0.000 0.231 390 R C 1.474 177.800 176.300 0.044 0.000 1.136 390 R CA 1.259 57.321 56.100 -0.063 0.000 0.948 390 R CB -0.528 29.746 30.300 -0.043 0.000 0.845 390 R HN 0.367 nan 8.270 nan 0.000 0.430 391 T N -0.954 113.660 114.554 0.101 0.000 2.918 391 T HA 0.132 4.483 4.350 0.001 0.000 0.286 391 T C 1.239 176.114 174.700 0.291 0.000 1.026 391 T CA -0.456 61.739 62.100 0.158 0.000 1.031 391 T CB 1.824 70.752 68.868 0.099 0.000 1.046 391 T HN 0.330 nan 8.240 nan 0.000 0.479 392 T N -0.032 114.643 114.554 0.201 0.000 2.985 392 T HA -0.049 4.302 4.350 0.001 0.000 0.266 392 T C 2.052 176.795 174.700 0.071 0.000 1.076 392 T CA 1.238 63.415 62.100 0.127 0.000 1.135 392 T CB -0.604 68.292 68.868 0.046 0.000 0.890 392 T HN 0.622 nan 8.240 nan 0.000 0.480 393 S N 2.104 117.853 115.700 0.083 0.000 2.547 393 S HA -0.045 4.425 4.470 0.001 0.000 0.235 393 S C 2.039 176.685 174.600 0.076 0.000 0.980 393 S CA 0.727 58.962 58.200 0.058 0.000 0.941 393 S CB -0.818 62.411 63.200 0.049 0.000 0.763 393 S HN 0.731 nan 8.310 nan 0.000 0.532 394 S N 1.449 117.231 115.700 0.135 0.000 2.593 394 S HA 0.267 4.738 4.470 0.001 0.000 0.217 394 S C 0.931 175.616 174.600 0.143 0.000 0.966 394 S CA -0.049 58.241 58.200 0.149 0.000 0.914 394 S CB -0.976 62.343 63.200 0.199 0.000 0.776 394 S HN 0.581 nan 8.310 nan 0.000 0.523 395 L N 0.877 122.145 121.223 0.075 0.000 3.839 395 L HA -0.199 4.142 4.340 0.001 0.000 0.416 395 L C 1.786 178.659 176.870 0.004 0.000 1.195 395 L CA 0.825 55.655 54.840 -0.017 0.000 0.946 395 L CB -2.407 39.652 42.059 -0.000 0.000 1.891 395 L HN 0.755 nan 8.230 nan 0.000 0.963 396 W N 0.125 121.435 121.300 0.016 0.000 2.342 396 W HA -0.182 4.478 4.660 0.001 0.000 0.297 396 W C 1.747 178.280 176.519 0.024 0.000 1.213 396 W CA 1.393 58.748 57.345 0.018 0.000 1.251 396 W CB -0.742 28.724 29.460 0.010 0.000 1.136 396 W HN 0.291 nan 8.180 nan 0.000 0.526 397 K N 1.056 121.071 120.400 -0.641 0.000 2.025 397 K HA -0.160 4.161 4.320 0.001 0.000 0.207 397 K C 1.539 178.012 176.600 -0.213 0.000 1.049 397 K CA 2.333 58.264 56.287 -0.594 0.000 0.933 397 K CB -0.415 31.582 32.500 -0.838 0.000 0.714 397 K HN 0.051 nan 8.250 nan 0.000 0.438 398 D N 0.750 121.045 120.400 -0.176 0.000 2.144 398 D HA -0.123 4.518 4.640 0.001 0.000 0.199 398 D C 1.690 177.985 176.300 -0.007 0.000 0.984 398 D CA 1.191 55.144 54.000 -0.080 0.000 0.834 398 D CB 0.031 40.792 40.800 -0.065 0.000 0.955 398 D HN 0.137 nan 8.370 nan 0.000 0.465 399 K N 0.516 120.934 120.400 0.031 0.000 2.025 399 K HA 0.001 4.322 4.320 0.001 0.000 0.207 399 K C 2.242 178.911 176.600 0.114 0.000 1.049 399 K CA 1.120 57.458 56.287 0.084 0.000 0.933 399 K CB -0.175 32.395 32.500 0.116 0.000 0.714 399 K HN 0.088 nan 8.250 nan 0.000 0.438 400 A N 1.647 124.553 122.820 0.143 0.000 1.902 400 A HA -0.129 4.192 4.320 0.001 0.000 0.217 400 A C 2.393 180.063 177.584 0.142 0.000 1.181 400 A CA 1.869 54.015 52.037 0.183 0.000 0.623 400 A CB -0.727 18.413 19.000 0.233 0.000 0.818 400 A HN 0.341 nan 8.150 nan 0.000 0.443 401 A N -0.535 122.328 122.820 0.072 0.000 1.908 401 A HA -0.051 4.269 4.320 0.001 0.000 0.218 401 A C 2.242 179.849 177.584 0.039 0.000 1.181 401 A CA 1.919 53.975 52.037 0.032 0.000 0.627 401 A CB -1.003 17.980 19.000 -0.029 0.000 0.818 401 A HN 0.413 nan 8.150 nan 0.000 0.445 402 V N 0.328 120.273 119.914 0.052 0.000 2.343 402 V HA -0.207 3.914 4.120 0.001 0.000 0.247 402 V C 2.535 178.684 176.094 0.092 0.000 1.051 402 V CA 2.139 64.477 62.300 0.063 0.000 1.036 402 V CB -0.714 31.151 31.823 0.070 0.000 0.654 402 V HN 0.521 nan 8.190 nan 0.000 0.451 403 E N -0.089 120.194 120.200 0.138 0.000 2.150 403 E HA -0.113 4.237 4.350 0.001 0.000 0.193 403 E C 2.096 178.803 176.600 0.178 0.000 0.985 403 E CA 1.122 57.647 56.400 0.208 0.000 0.814 403 E CB -0.268 29.537 29.700 0.175 0.000 0.752 403 E HN 0.591 nan 8.360 nan 0.000 0.466 404 I N 1.106 121.785 120.570 0.182 0.000 2.252 404 I HA -0.250 3.921 4.170 0.001 0.000 0.245 404 I C 1.583 177.706 176.117 0.010 0.000 1.102 404 I CA 0.962 62.370 61.300 0.180 0.000 1.385 404 I CB -0.261 37.859 38.000 0.200 0.000 1.064 404 I HN 0.023 nan 8.210 nan 0.000 0.414 405 N N 0.543 119.235 118.700 -0.014 0.000 2.309 405 N HA -0.134 4.607 4.740 0.001 0.000 0.182 405 N C 1.628 177.100 175.510 -0.064 0.000 1.018 405 N CA 0.714 53.723 53.050 -0.067 0.000 0.876 405 N CB -0.062 38.393 38.487 -0.053 0.000 0.972 405 N HN 0.173 nan 8.380 nan 0.000 0.434 406 L N 0.455 121.650 121.223 -0.047 0.000 2.044 406 L HA 0.103 4.444 4.340 0.001 0.000 0.205 406 L C 2.029 178.778 176.870 -0.203 0.000 1.075 406 L CA 1.139 55.917 54.840 -0.103 0.000 0.747 406 L CB -0.709 41.292 42.059 -0.096 0.000 0.903 406 L HN 0.121 nan 8.230 nan 0.000 0.435 407 A N -1.143 121.511 122.820 -0.277 0.000 1.940 407 A HA -0.171 4.150 4.320 0.001 0.000 0.219 407 A C 2.260 179.727 177.584 -0.195 0.000 1.176 407 A CA 2.043 53.833 52.037 -0.411 0.000 0.631 407 A CB -1.080 17.355 19.000 -0.942 0.000 0.814 407 A HN 0.300 nan 8.150 nan 0.000 0.446 408 V N -0.171 119.649 119.914 -0.156 0.000 2.295 408 V HA -0.251 3.870 4.120 0.001 0.000 0.246 408 V C 2.565 178.602 176.094 -0.093 0.000 1.049 408 V CA 2.012 64.232 62.300 -0.134 0.000 1.024 408 V CB -0.704 30.955 31.823 -0.272 0.000 0.648 408 V HN 0.579 nan 8.190 nan 0.000 0.447 409 L N -0.562 120.601 121.223 -0.101 0.000 2.083 409 L HA -0.216 4.125 4.340 0.001 0.000 0.209 409 L C 2.593 179.474 176.870 0.017 0.000 1.083 409 L CA 1.974 56.787 54.840 -0.046 0.000 0.752 409 L CB -0.706 41.331 42.059 -0.037 0.000 0.899 409 L HN 0.495 nan 8.230 nan 0.000 0.433 410 H N -0.656 118.353 119.070 -0.102 0.000 2.357 410 H HA -0.111 4.446 4.556 0.001 0.000 0.301 410 H C 2.325 177.626 175.328 -0.046 0.000 1.082 410 H CA 1.815 57.797 56.048 -0.110 0.000 1.342 410 H CB 0.078 29.709 29.762 -0.220 0.000 1.389 410 H HN 0.135 nan 8.280 nan 0.000 0.511 411 S N -0.299 115.329 115.700 -0.120 0.000 2.355 411 S HA -0.097 4.374 4.470 0.001 0.000 0.222 411 S C 1.776 176.375 174.600 -0.002 0.000 1.031 411 S CA 1.206 59.349 58.200 -0.095 0.000 0.993 411 S CB -0.403 62.841 63.200 0.073 0.000 0.859 411 S HN 0.344 nan 8.310 nan 0.000 0.453 412 F N 1.871 121.747 119.950 -0.123 0.000 2.365 412 F HA 0.017 4.545 4.527 0.002 0.000 0.300 412 F C 2.484 178.224 175.800 -0.100 0.000 1.090 412 F CA 0.593 58.547 58.000 -0.077 0.000 1.408 412 F CB -0.503 38.479 39.000 -0.030 0.000 1.060 412 F HN 0.234 nan 8.300 nan 0.000 0.534 413 Q N -1.038 118.782 119.800 0.034 0.000 2.212 413 Q HA -0.071 4.270 4.340 0.001 0.000 0.199 413 Q C 2.081 178.015 176.000 -0.109 0.000 0.950 413 Q CA 0.496 56.276 55.803 -0.037 0.000 0.863 413 Q CB -0.154 28.565 28.738 -0.032 0.000 0.944 413 Q HN 0.305 nan 8.270 nan 0.000 0.465 414 L N 0.018 121.118 121.223 -0.206 0.000 2.179 414 L HA 0.056 4.397 4.340 0.001 0.000 0.208 414 L C 1.776 178.551 176.870 -0.157 0.000 1.096 414 L CA 1.416 56.118 54.840 -0.230 0.000 0.779 414 L CB -0.286 41.531 42.059 -0.403 0.000 0.922 414 L HN 0.073 nan 8.230 nan 0.000 0.443 415 A N -1.363 121.361 122.820 -0.159 0.000 2.251 415 A HA 0.072 4.393 4.320 0.001 0.000 0.209 415 A C 0.590 178.099 177.584 -0.125 0.000 1.187 415 A CA -0.065 51.882 52.037 -0.151 0.000 0.823 415 A CB -0.324 18.549 19.000 -0.211 0.000 0.846 415 A HN 0.332 nan 8.150 nan 0.000 0.486 416 K N -1.001 119.339 120.400 -0.100 0.000 3.150 416 K HA -0.128 4.193 4.320 0.001 0.000 0.267 416 K C -0.640 175.912 176.600 -0.080 0.000 1.028 416 K CA 0.794 57.033 56.287 -0.080 0.000 0.753 416 K CB -2.780 29.677 32.500 -0.073 0.000 1.288 416 K HN 0.313 nan 8.250 nan 0.000 0.473 417 V N 0.935 120.805 119.914 -0.074 0.000 2.487 417 V HA 0.208 4.329 4.120 0.001 0.000 0.298 417 V C 0.697 176.828 176.094 0.061 0.000 1.028 417 V CA -0.800 61.472 62.300 -0.046 0.000 0.860 417 V CB 2.109 33.823 31.823 -0.183 0.000 0.991 417 V HN 0.296 nan 8.190 nan 0.000 0.427 418 T N 6.186 120.746 114.554 0.010 0.000 2.871 418 T HA 0.399 4.750 4.350 0.001 0.000 0.296 418 T C -0.274 174.479 174.700 0.088 0.000 0.998 418 T CA 0.819 62.861 62.100 -0.097 0.000 1.162 418 T CB 0.097 68.738 68.868 -0.378 0.000 0.947 418 T HN 0.508 nan 8.240 nan 0.000 0.536 419 I N 2.870 123.451 120.570 0.018 0.000 3.093 419 I HA 0.714 4.885 4.170 0.001 0.000 0.308 419 I C -1.609 174.552 176.117 0.074 0.000 1.303 419 I CA -0.900 60.472 61.300 0.120 0.000 0.975 419 I CB 2.299 40.336 38.000 0.062 0.000 1.286 419 I HN 0.425 nan 8.210 nan 0.000 0.459 420 V N 4.528 124.539 119.914 0.161 0.000 2.668 420 V HA 0.514 4.635 4.120 0.001 0.000 0.304 420 V C -1.504 174.660 176.094 0.118 0.000 1.071 420 V CA -0.350 62.046 62.300 0.160 0.000 0.894 420 V CB 1.981 33.984 31.823 0.300 0.000 1.008 420 V HN 0.912 nan 8.190 nan 0.000 0.425 421 D N 4.315 124.762 120.400 0.078 0.000 2.344 421 D HA 0.193 4.834 4.640 0.001 0.000 0.244 421 D C 1.326 177.660 176.300 0.057 0.000 1.134 421 D CA 0.178 54.221 54.000 0.071 0.000 0.930 421 D CB 0.511 41.318 40.800 0.012 0.000 1.175 421 D HN 0.727 nan 8.370 nan 0.000 0.437 422 H N 0.201 119.214 119.070 -0.096 0.000 2.457 422 H HA -0.163 4.393 4.556 0.001 0.000 0.297 422 H C 0.998 176.256 175.328 -0.117 0.000 1.092 422 H CA 1.453 57.413 56.048 -0.146 0.000 1.309 422 H CB -0.637 28.974 29.762 -0.253 0.000 1.382 422 H HN 0.531 nan 8.280 nan 0.000 0.535 423 H N 1.101 119.993 119.070 -0.296 0.000 2.307 423 H HA 0.153 4.710 4.556 0.001 0.000 0.303 423 H C 2.559 177.866 175.328 -0.035 0.000 1.073 423 H CA 1.295 57.244 56.048 -0.165 0.000 1.338 423 H CB -0.371 29.254 29.762 -0.228 0.000 1.389 423 H HN 0.492 nan 8.280 nan 0.000 0.503 424 A N 1.578 124.461 122.820 0.105 0.000 1.865 424 A HA -0.144 4.177 4.320 0.001 0.000 0.217 424 A C 2.723 180.383 177.584 0.127 0.000 1.191 424 A CA 2.085 54.182 52.037 0.101 0.000 0.623 424 A CB -1.006 18.047 19.000 0.087 0.000 0.826 424 A HN 0.438 nan 8.150 nan 0.000 0.444 425 A N -0.217 122.683 122.820 0.133 0.000 1.865 425 A HA -0.179 4.142 4.320 0.001 0.000 0.217 425 A C 2.472 180.162 177.584 0.178 0.000 1.191 425 A CA 3.024 55.158 52.037 0.162 0.000 0.623 425 A CB -1.655 17.433 19.000 0.146 0.000 0.826 425 A HN 0.855 nan 8.150 nan 0.000 0.444 426 T N -2.357 112.285 114.554 0.147 0.000 2.881 426 T HA -0.087 4.264 4.350 0.001 0.000 0.270 426 T C 1.644 176.476 174.700 0.220 0.000 1.068 426 T CA 1.466 63.673 62.100 0.178 0.000 1.131 426 T CB -0.716 68.222 68.868 0.117 0.000 0.871 426 T HN 0.095 nan 8.240 nan 0.000 0.479 427 V N 2.666 122.684 119.914 0.173 0.000 2.358 427 V HA -0.137 3.983 4.120 0.001 0.000 0.246 427 V C 3.173 179.357 176.094 0.150 0.000 1.047 427 V CA 1.863 64.252 62.300 0.149 0.000 1.035 427 V CB -0.940 30.951 31.823 0.112 0.000 0.658 427 V HN 0.777 nan 8.190 nan 0.000 0.452 428 S N -0.179 115.620 115.700 0.164 0.000 2.423 428 S HA -0.189 4.281 4.470 0.001 0.000 0.231 428 S C 1.941 176.648 174.600 0.179 0.000 1.014 428 S CA 1.318 59.610 58.200 0.154 0.000 0.965 428 S CB -0.690 62.606 63.200 0.159 0.000 0.785 428 S HN 0.495 nan 8.310 nan 0.000 0.495 429 F N 1.981 121.996 119.950 0.109 0.000 2.206 429 F HA 0.136 4.664 4.527 0.001 0.000 0.298 429 F C 2.271 178.160 175.800 0.148 0.000 1.090 429 F CA 1.084 59.162 58.000 0.131 0.000 1.323 429 F CB -0.276 38.781 39.000 0.095 0.000 1.028 429 F HN 0.105 nan 8.300 nan 0.000 0.492 430 M N 0.119 119.803 119.600 0.140 0.000 2.117 430 M HA -0.178 4.303 4.480 0.001 0.000 0.262 430 M C 2.225 178.513 176.300 -0.019 0.000 1.065 430 M CA 1.519 56.858 55.300 0.065 0.000 1.114 430 M CB -1.252 31.421 32.600 0.122 0.000 1.361 430 M HN 0.050 nan 8.290 nan 0.000 0.408 431 K N -0.180 120.230 120.400 0.016 0.000 2.057 431 K HA -0.216 4.105 4.320 0.001 0.000 0.207 431 K C 1.982 178.560 176.600 -0.037 0.000 1.049 431 K CA 1.895 58.184 56.287 0.004 0.000 0.931 431 K CB -0.743 31.780 32.500 0.039 0.000 0.714 431 K HN 0.394 nan 8.250 nan 0.000 0.440 432 H N 0.003 118.975 119.070 -0.162 0.000 2.353 432 H HA -0.008 4.549 4.556 0.001 0.000 0.300 432 H C 1.752 176.913 175.328 -0.279 0.000 1.090 432 H CA 2.204 58.121 56.048 -0.219 0.000 1.327 432 H CB -0.214 29.360 29.762 -0.313 0.000 1.383 432 H HN 0.186 nan 8.280 nan 0.000 0.508 433 L N -0.142 120.789 121.223 -0.488 0.000 2.042 433 L HA -0.185 4.155 4.340 0.001 0.000 0.210 433 L C 2.331 179.046 176.870 -0.257 0.000 1.076 433 L CA 1.702 56.297 54.840 -0.408 0.000 0.749 433 L CB -0.454 41.454 42.059 -0.252 0.000 0.893 433 L HN 0.390 nan 8.230 nan 0.000 0.432 434 D N 0.026 120.319 120.400 -0.179 0.000 2.097 434 D HA -0.183 4.458 4.640 0.001 0.000 0.195 434 D C 1.892 178.120 176.300 -0.120 0.000 0.989 434 D CA 1.279 55.212 54.000 -0.111 0.000 0.827 434 D CB -0.025 40.737 40.800 -0.064 0.000 0.966 434 D HN 0.147 nan 8.370 nan 0.000 0.456 435 N N 0.659 119.275 118.700 -0.140 0.000 2.104 435 N HA -0.135 4.606 4.740 0.001 0.000 0.190 435 N C 1.612 177.043 175.510 -0.131 0.000 1.024 435 N CA 0.869 53.858 53.050 -0.103 0.000 0.853 435 N CB -0.293 38.156 38.487 -0.062 0.000 1.008 435 N HN 0.366 nan 8.380 nan 0.000 0.424 436 E N 0.528 120.571 120.200 -0.262 0.000 2.208 436 E HA -0.145 4.206 4.350 0.001 0.000 0.193 436 E C 1.829 178.346 176.600 -0.137 0.000 0.988 436 E CA 0.485 56.741 56.400 -0.240 0.000 0.828 436 E CB -0.051 29.398 29.700 -0.418 0.000 0.763 436 E HN 0.349 nan 8.360 nan 0.000 0.478 437 Q N 1.488 121.215 119.800 -0.123 0.000 2.119 437 Q HA -0.113 4.228 4.340 0.001 0.000 0.201 437 Q C 1.614 177.581 176.000 -0.054 0.000 0.972 437 Q CA 1.658 57.418 55.803 -0.072 0.000 0.847 437 Q CB 0.087 28.787 28.738 -0.063 0.000 0.903 437 Q HN 0.128 nan 8.270 nan 0.000 0.433 438 K N -0.880 119.487 120.400 -0.054 0.000 2.186 438 K HA 0.146 4.466 4.320 0.001 0.000 0.202 438 K C 1.945 178.526 176.600 -0.030 0.000 1.052 438 K CA 0.756 57.021 56.287 -0.038 0.000 0.965 438 K CB -0.038 32.443 32.500 -0.032 0.000 0.746 438 K HN 0.199 nan 8.250 nan 0.000 0.457 439 A N 1.727 124.528 122.820 -0.031 0.000 1.832 439 A HA -0.054 4.267 4.320 0.001 0.000 0.214 439 A C 1.891 179.466 177.584 -0.016 0.000 1.204 439 A CA 1.130 53.161 52.037 -0.010 0.000 0.606 439 A CB -0.140 18.869 19.000 0.014 0.000 0.849 439 A HN 0.123 nan 8.150 nan 0.000 0.445 440 R N -1.945 118.536 120.500 -0.032 0.000 2.397 440 R HA 0.275 4.616 4.340 0.001 0.000 0.241 440 R C 0.935 177.220 176.300 -0.026 0.000 0.914 440 R CA 0.563 56.648 56.100 -0.025 0.000 1.071 440 R CB 0.544 30.827 30.300 -0.027 0.000 1.116 440 R HN 0.754 nan 8.270 nan 0.000 0.524 441 G N 0.550 109.329 108.800 -0.036 0.000 2.141 441 G HA2 -0.191 3.770 3.960 0.001 0.000 0.242 441 G HA3 -0.191 3.770 3.960 0.001 0.000 0.242 441 G C 0.221 175.113 174.900 -0.014 0.000 0.982 441 G CA -0.103 44.973 45.100 -0.041 0.000 0.662 441 G HN 0.722 nan 8.290 nan 0.000 0.527 442 G N -2.306 106.497 108.800 0.005 0.000 2.324 442 G HA2 0.562 4.523 3.960 0.001 0.000 0.293 442 G HA3 0.562 4.523 3.960 0.001 0.000 0.293 442 G C -0.924 174.013 174.900 0.063 0.000 1.297 442 G CA 0.484 45.621 45.100 0.061 0.000 0.853 442 G HN 1.955 nan 8.290 nan 0.000 0.535 443 C N 1.769 121.145 119.300 0.128 0.000 2.924 443 C HA 0.677 5.138 4.460 0.001 0.000 0.400 443 C C -2.655 172.349 174.990 0.024 0.000 1.032 443 C CA -1.079 57.962 59.018 0.037 0.000 1.236 443 C CB 1.274 28.967 27.740 -0.077 0.000 1.660 443 C HN 0.698 nan 8.230 nan 0.000 0.510 444 P HA 0.405 nan 4.420 nan 0.000 0.271 444 P C -0.583 176.636 177.300 -0.135 0.000 1.233 444 P CA 0.614 63.371 63.100 -0.572 0.000 0.764 444 P CB 1.071 32.117 31.700 -1.091 0.000 0.825 445 A N 2.852 125.672 122.820 -0.000 0.000 2.486 445 A HA 0.410 4.731 4.320 0.001 0.000 0.300 445 A C -0.914 176.730 177.584 0.101 0.000 1.048 445 A CA -0.582 51.521 52.037 0.109 0.000 0.696 445 A CB 1.368 20.536 19.000 0.279 0.000 1.278 445 A HN 0.475 nan 8.150 nan 0.000 0.405 446 D N 1.970 122.417 120.400 0.078 0.000 2.485 446 D HA 0.100 4.741 4.640 0.001 0.000 0.229 446 D C 0.735 177.171 176.300 0.226 0.000 1.101 446 D CA -0.444 53.637 54.000 0.135 0.000 0.906 446 D CB 0.412 41.234 40.800 0.036 0.000 1.019 446 D HN 0.660 nan 8.370 nan 0.000 0.516 447 W N 4.107 125.447 121.300 0.067 0.000 2.290 447 W HA -0.348 4.313 4.660 0.001 0.000 0.311 447 W C 1.942 178.486 176.519 0.042 0.000 1.238 447 W CA 2.331 59.697 57.345 0.035 0.000 1.255 447 W CB 0.128 29.588 29.460 -0.000 0.000 1.145 447 W HN 0.547 nan 8.180 nan 0.000 0.506 448 A N -1.446 121.661 122.820 0.478 0.000 2.019 448 A HA -0.177 4.143 4.320 0.001 0.000 0.219 448 A C 1.449 179.095 177.584 0.104 0.000 1.164 448 A CA 1.546 53.781 52.037 0.329 0.000 0.644 448 A CB -1.221 17.991 19.000 0.354 0.000 0.805 448 A HN 0.533 nan 8.150 nan 0.000 0.449 449 W N -0.860 120.418 121.300 -0.036 0.000 2.704 449 W HA 0.184 4.845 4.660 0.001 0.000 0.266 449 W C 1.801 178.212 176.519 -0.180 0.000 1.266 449 W CA -0.103 57.196 57.345 -0.077 0.000 1.377 449 W CB -0.047 29.396 29.460 -0.030 0.000 1.082 449 W HN 0.133 nan 8.180 nan 0.000 0.608 450 I N -0.125 120.406 120.570 -0.065 0.000 2.353 450 I HA -0.074 4.097 4.170 0.001 0.000 0.248 450 I C 0.663 176.574 176.117 -0.344 0.000 1.119 450 I CA 0.795 61.917 61.300 -0.296 0.000 1.417 450 I CB -1.534 36.210 38.000 -0.428 0.000 1.078 450 I HN -0.404 nan 8.210 nan 0.000 0.421 451 V N 4.898 124.528 119.914 -0.473 0.000 2.470 451 V HA 0.112 4.233 4.120 0.001 0.000 0.276 451 V C -1.721 174.195 176.094 -0.297 0.000 1.040 451 V CA -1.229 60.776 62.300 -0.492 0.000 1.008 451 V CB 0.150 31.403 31.823 -0.951 0.000 0.990 451 V HN 0.168 nan 8.190 nan 0.000 0.477 452 P HA 0.101 nan 4.420 nan 0.000 0.269 452 P C -1.960 175.218 177.300 -0.203 0.000 1.217 452 P CA -1.207 61.772 63.100 -0.201 0.000 0.783 452 P CB 0.094 31.677 31.700 -0.195 0.000 0.898 453 P HA 0.003 nan 4.420 nan 0.000 0.234 453 P C 0.401 177.598 177.300 -0.170 0.000 1.167 453 P CA 1.112 64.099 63.100 -0.188 0.000 0.763 453 P CB -0.029 31.551 31.700 -0.200 0.000 0.835 454 I N -6.910 113.532 120.570 -0.214 0.000 2.802 454 I HA 0.430 4.601 4.170 0.001 0.000 0.298 454 I C -0.426 175.611 176.117 -0.134 0.000 1.176 454 I CA -1.204 59.993 61.300 -0.172 0.000 1.025 454 I CB 2.088 39.964 38.000 -0.207 0.000 1.243 454 I HN -0.391 nan 8.210 nan 0.000 0.424 455 S N 2.444 118.113 115.700 -0.053 0.000 3.682 455 S HA -0.173 4.297 4.470 0.001 0.000 0.354 455 S C 1.291 175.884 174.600 -0.011 0.000 1.034 455 S CA 0.766 58.967 58.200 0.001 0.000 1.084 455 S CB -1.612 61.648 63.200 0.101 0.000 0.903 455 S HN 1.274 nan 8.310 nan 0.000 0.470 456 G N 2.271 111.050 108.800 -0.034 0.000 2.514 456 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 456 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 456 G C 1.484 176.286 174.900 -0.163 0.000 1.198 456 G CA 1.352 46.463 45.100 0.018 0.000 0.780 456 G HN 1.196 nan 8.290 nan 0.000 0.565 457 S N 0.161 115.461 115.700 -0.667 0.000 2.474 457 S HA 0.060 4.531 4.470 0.001 0.000 0.235 457 S C 2.007 176.524 174.600 -0.139 0.000 0.997 457 S CA 0.717 58.340 58.200 -0.962 0.000 0.949 457 S CB -0.123 62.451 63.200 -1.044 0.000 0.766 457 S HN 0.065 nan 8.310 nan 0.000 0.517 458 L N 2.475 123.673 121.223 -0.041 0.000 2.551 458 L HA 0.202 4.543 4.340 0.001 0.000 0.228 458 L C 1.349 178.334 176.870 0.191 0.000 1.153 458 L CA 0.771 55.674 54.840 0.105 0.000 0.851 458 L CB -1.247 40.906 42.059 0.157 0.000 0.959 458 L HN 0.621 nan 8.230 nan 0.000 0.451 459 T N -4.695 109.956 114.554 0.161 0.000 2.918 459 T HA 0.387 4.738 4.350 0.001 0.000 0.286 459 T C -1.771 173.074 174.700 0.243 0.000 1.026 459 T CA -1.933 60.285 62.100 0.196 0.000 1.031 459 T CB 2.052 70.994 68.868 0.124 0.000 1.046 459 T HN -0.160 nan 8.240 nan 0.000 0.479 460 P HA -0.064 nan 4.420 nan 0.000 0.222 460 P C 1.700 179.179 177.300 0.297 0.000 1.147 460 P CA 0.824 64.110 63.100 0.309 0.000 0.790 460 P CB -0.270 31.564 31.700 0.224 0.000 0.780 461 V N -4.127 115.910 119.914 0.204 0.000 2.667 461 V HA -0.149 3.971 4.120 0.001 0.000 0.252 461 V C 2.382 178.538 176.094 0.103 0.000 1.065 461 V CA 0.953 63.340 62.300 0.145 0.000 1.083 461 V CB -2.175 29.660 31.823 0.019 0.000 0.692 461 V HN -0.126 nan 8.190 nan 0.000 0.468 462 F N 2.104 121.978 119.950 -0.126 0.000 2.126 462 F HA -0.175 4.353 4.527 0.001 0.000 0.299 462 F C 2.446 178.312 175.800 0.110 0.000 1.096 462 F CA 2.204 60.130 58.000 -0.124 0.000 1.255 462 F CB -0.345 38.449 39.000 -0.343 0.000 0.997 462 F HN 0.284 nan 8.300 nan 0.000 0.479 463 H N -0.924 118.520 119.070 0.623 0.000 2.533 463 H HA 0.114 4.671 4.556 0.001 0.000 0.271 463 H C 0.266 175.874 175.328 0.466 0.000 1.000 463 H CA 0.248 56.621 56.048 0.541 0.000 1.149 463 H CB -0.290 29.735 29.762 0.438 0.000 1.375 463 H HN 0.269 nan 8.280 nan 0.000 0.582 464 Q N 1.739 121.828 119.800 0.481 0.000 2.325 464 Q HA 0.178 4.519 4.340 0.001 0.000 0.262 464 Q C -0.622 175.632 176.000 0.424 0.000 0.968 464 Q CA -0.441 55.598 55.803 0.392 0.000 0.877 464 Q CB 0.992 29.918 28.738 0.314 0.000 1.253 464 Q HN 0.213 nan 8.270 nan 0.000 0.448 465 E N 3.495 123.898 120.200 0.337 0.000 2.354 465 E HA 0.280 4.631 4.350 0.001 0.000 0.269 465 E C -0.571 176.180 176.600 0.252 0.000 1.036 465 E CA 0.144 56.703 56.400 0.265 0.000 0.876 465 E CB 0.882 30.720 29.700 0.229 0.000 1.009 465 E HN 0.597 nan 8.360 nan 0.000 0.416 466 M N 1.729 121.481 119.600 0.255 0.000 2.591 466 M HA 0.402 4.882 4.480 0.001 0.000 0.306 466 M C -1.029 175.396 176.300 0.208 0.000 1.190 466 M CA -1.048 54.405 55.300 0.254 0.000 0.889 466 M CB 2.297 35.094 32.600 0.327 0.000 1.728 466 M HN 0.154 nan 8.290 nan 0.000 0.458 467 V N 1.818 121.869 119.914 0.230 0.000 2.459 467 V HA 0.481 4.602 4.120 0.001 0.000 0.295 467 V C -0.659 175.611 176.094 0.293 0.000 1.029 467 V CA -0.718 61.746 62.300 0.274 0.000 0.874 467 V CB 1.694 33.715 31.823 0.329 0.000 0.985 467 V HN 0.796 nan 8.190 nan 0.000 0.438 468 N N 3.499 122.359 118.700 0.268 0.000 2.342 468 N HA 0.673 5.414 4.740 0.001 0.000 0.293 468 N C -1.245 174.422 175.510 0.262 0.000 1.026 468 N CA -0.404 52.727 53.050 0.135 0.000 0.857 468 N CB 1.560 40.101 38.487 0.090 0.000 1.256 468 N HN 0.641 nan 8.380 nan 0.000 0.484 469 Y N 0.281 120.603 120.300 0.038 0.000 2.725 469 Y HA 0.585 5.135 4.550 0.001 0.000 0.333 469 Y C -1.097 174.810 175.900 0.011 0.000 1.242 469 Y CA -1.246 56.870 58.100 0.027 0.000 1.059 469 Y CB 0.802 39.282 38.460 0.034 0.000 1.306 469 Y HN 0.206 nan 8.280 nan 0.000 0.454 470 I N 3.171 123.840 120.570 0.164 0.000 2.330 470 I HA 0.443 4.614 4.170 0.001 0.000 0.289 470 I C -0.812 175.363 176.117 0.097 0.000 1.001 470 I CA -0.504 60.831 61.300 0.059 0.000 1.193 470 I CB 1.139 39.163 38.000 0.041 0.000 1.345 470 I HN 0.400 nan 8.210 nan 0.000 0.461 471 L N 4.620 125.862 121.223 0.033 0.000 2.322 471 L HA 0.586 4.927 4.340 0.001 0.000 0.269 471 L C -0.041 176.824 176.870 -0.007 0.000 1.012 471 L CA -0.587 54.281 54.840 0.047 0.000 0.815 471 L CB 2.126 44.205 42.059 0.034 0.000 1.295 471 L HN 0.500 nan 8.230 nan 0.000 0.438 472 S N 1.096 116.803 115.700 0.012 0.000 2.526 472 S HA 0.612 5.083 4.470 0.001 0.000 0.293 472 S C -2.571 172.043 174.600 0.023 0.000 1.092 472 S CA -1.362 56.833 58.200 -0.009 0.000 0.980 472 S CB 1.905 65.118 63.200 0.020 0.000 1.048 472 S HN 0.233 nan 8.310 nan 0.000 0.483 473 P HA 0.364 nan 4.420 nan 0.000 0.269 473 P C -1.388 175.781 177.300 -0.218 0.000 1.211 473 P CA 0.007 63.009 63.100 -0.164 0.000 0.781 473 P CB 0.466 32.024 31.700 -0.237 0.000 0.877 474 A N 1.444 124.092 122.820 -0.288 0.000 2.594 474 A HA 0.656 4.977 4.320 0.001 0.000 0.295 474 A C -1.602 175.752 177.584 -0.384 0.000 1.071 474 A CA -0.444 51.427 52.037 -0.276 0.000 0.685 474 A CB 0.781 19.697 19.000 -0.141 0.000 1.285 474 A HN 0.287 nan 8.150 nan 0.000 0.405 475 F N 1.323 121.172 119.950 -0.168 0.000 2.410 475 F HA 0.641 5.169 4.527 0.001 0.000 0.349 475 F C 0.977 176.655 175.800 -0.203 0.000 1.117 475 F CA 0.258 58.151 58.000 -0.178 0.000 1.104 475 F CB 1.625 40.467 39.000 -0.263 0.000 1.122 475 F HN 0.566 nan 8.300 nan 0.000 0.483 476 R N 1.767 122.272 120.500 0.008 0.000 2.892 476 R HA 0.517 4.858 4.340 0.001 0.000 0.265 476 R C -1.445 174.825 176.300 -0.050 0.000 1.025 476 R CA -1.162 54.894 56.100 -0.073 0.000 0.982 476 R CB 1.531 31.823 30.300 -0.012 0.000 1.185 476 R HN 0.386 nan 8.270 nan 0.000 0.484 477 Y N 1.089 121.412 120.300 0.038 0.000 2.316 477 Y HA 0.202 4.752 4.550 0.001 0.000 0.324 477 Y C 0.437 176.342 175.900 0.008 0.000 1.267 477 Y CA -0.059 58.057 58.100 0.026 0.000 1.311 477 Y CB 1.107 39.569 38.460 0.002 0.000 1.267 477 Y HN 0.465 nan 8.280 nan 0.000 0.516 478 Q N 0.872 120.778 119.800 0.176 0.000 2.462 478 Q HA 0.610 4.951 4.340 0.001 0.000 0.285 478 Q C -3.146 172.834 176.000 -0.032 0.000 1.035 478 Q CA -2.486 53.351 55.803 0.056 0.000 0.799 478 Q CB 2.051 30.817 28.738 0.047 0.000 1.452 478 Q HN 0.246 nan 8.270 nan 0.000 0.404 479 P HA 0.011 nan 4.420 nan 0.000 0.269 479 P C -0.990 176.119 177.300 -0.319 0.000 1.211 479 P CA 0.107 63.091 63.100 -0.193 0.000 0.781 479 P CB 0.353 31.953 31.700 -0.167 0.000 0.877 480 D N 2.254 122.329 120.400 -0.541 0.000 2.308 480 D HA 0.065 4.706 4.640 0.001 0.000 0.251 480 D C -1.071 174.692 176.300 -0.895 0.000 1.127 480 D CA -1.496 51.911 54.000 -0.989 0.000 0.876 480 D CB 0.426 40.204 40.800 -1.702 0.000 1.176 480 D HN 0.262 nan 8.370 nan 0.000 0.446 481 P HA -0.107 nan 4.420 nan 0.000 0.223 481 P C 0.205 177.297 177.300 -0.347 0.000 1.144 481 P CA 0.851 63.700 63.100 -0.418 0.000 0.783 481 P CB 0.087 31.622 31.700 -0.274 0.000 0.771 482 W N 0.000 120.909 121.300 -0.651 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.101 57.345 -0.407 0.000 1.226 482 W CB 0.000 29.125 29.460 -0.558 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535