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 1foj_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 0.000 176.399 176.600 -0.336 0.000 0.988 69 K CA 0.000 56.100 56.287 -0.312 0.000 0.838 69 K CB 0.000 32.177 32.500 -0.539 0.000 1.064 70 F N 5.225 125.191 119.950 0.027 0.000 2.424 70 F HA 0.409 4.937 4.527 0.002 0.000 0.356 70 F C -1.974 173.889 175.800 0.105 0.000 1.110 70 F CA -1.949 56.084 58.000 0.054 0.000 1.161 70 F CB 0.776 39.816 39.000 0.067 0.000 1.115 70 F HN -0.180 nan 8.300 nan 0.000 0.507 71 P HA 0.066 nan 4.420 nan 0.000 0.271 71 P C -0.579 176.778 177.300 0.095 0.000 1.226 71 P CA -0.350 62.832 63.100 0.137 0.000 0.765 71 P CB 0.544 32.302 31.700 0.096 0.000 0.835 72 R N 3.253 123.753 120.500 -0.002 0.000 2.234 72 R HA 0.360 4.701 4.340 0.002 0.000 0.324 72 R C -1.163 175.037 176.300 -0.167 0.000 1.054 72 R CA -0.413 55.530 56.100 -0.261 0.000 0.912 72 R CB 0.357 30.525 30.300 -0.220 0.000 1.030 72 R HN 0.217 nan 8.270 nan 0.000 0.455 73 V N 5.373 125.163 119.914 -0.206 0.000 2.384 73 V HA 0.344 4.466 4.120 0.002 0.000 0.287 73 V C -0.170 175.854 176.094 -0.116 0.000 1.020 73 V CA -0.713 61.538 62.300 -0.081 0.000 0.850 73 V CB 1.365 33.181 31.823 -0.012 0.000 0.987 73 V HN 0.740 nan 8.190 nan 0.000 0.436 74 K N 3.838 124.191 120.400 -0.077 0.000 2.203 74 K HA 0.450 4.771 4.320 0.002 0.000 0.251 74 K C -0.662 175.881 176.600 -0.096 0.000 0.944 74 K CA -0.737 55.438 56.287 -0.188 0.000 0.829 74 K CB 1.571 33.819 32.500 -0.419 0.000 1.125 74 K HN 0.712 nan 8.250 nan 0.000 0.430 75 N N 3.768 122.384 118.700 -0.139 0.000 2.446 75 N HA 0.119 4.860 4.740 0.002 0.000 0.265 75 N C -0.453 175.022 175.510 -0.059 0.000 0.975 75 N CA -0.408 52.666 53.050 0.039 0.000 0.928 75 N CB 0.532 39.057 38.487 0.064 0.000 1.160 75 N HN 0.662 nan 8.380 nan 0.000 0.495 76 W N 2.020 123.403 121.300 0.139 0.000 2.937 76 W HA 0.147 4.808 4.660 0.002 0.000 0.245 76 W C 1.969 178.540 176.519 0.087 0.000 1.306 76 W CA -0.141 57.276 57.345 0.119 0.000 1.470 76 W CB 0.257 29.810 29.460 0.155 0.000 1.132 76 W HN 0.667 nan 8.180 nan 0.000 0.675 77 E N 0.274 120.610 120.200 0.226 0.000 2.190 77 E HA -0.044 4.307 4.350 0.002 0.000 0.191 77 E C 1.498 178.123 176.600 0.041 0.000 0.978 77 E CA 0.858 57.302 56.400 0.073 0.000 0.839 77 E CB -0.042 29.669 29.700 0.018 0.000 0.787 77 E HN 0.273 nan 8.360 nan 0.000 0.473 78 L N -0.978 120.266 121.223 0.036 0.000 2.766 78 L HA 0.408 4.749 4.340 0.002 0.000 0.242 78 L C 1.409 178.258 176.870 -0.036 0.000 1.136 78 L CA 0.283 55.125 54.840 0.004 0.000 0.933 78 L CB 0.986 43.053 42.059 0.013 0.000 1.241 78 L HN 0.343 nan 8.230 nan 0.000 0.522 79 G N 0.659 109.411 108.800 -0.081 0.000 2.220 79 G HA2 -0.353 3.608 3.960 0.002 0.000 0.269 79 G HA3 -0.353 3.608 3.960 0.002 0.000 0.269 79 G C 0.505 175.311 174.900 -0.157 0.000 0.977 79 G CA 0.572 45.581 45.100 -0.151 0.000 0.634 79 G HN 0.489 nan 8.290 nan 0.000 0.539 80 S N -0.293 115.342 115.700 -0.107 0.000 2.573 80 S HA 0.641 5.112 4.470 0.002 0.000 0.277 80 S C 0.170 174.691 174.600 -0.132 0.000 1.346 80 S CA -0.020 58.126 58.200 -0.090 0.000 1.034 80 S CB 1.796 64.968 63.200 -0.047 0.000 0.879 80 S HN 0.663 nan 8.310 nan 0.000 0.528 81 I N 1.315 121.813 120.570 -0.119 0.000 2.686 81 I HA 0.545 4.716 4.170 0.002 0.000 0.295 81 I C -0.088 175.939 176.117 -0.150 0.000 1.114 81 I CA -0.478 60.719 61.300 -0.173 0.000 1.038 81 I CB 2.704 40.581 38.000 -0.205 0.000 1.238 81 I HN 1.009 nan 8.210 nan 0.000 0.420 82 T N 0.761 115.182 114.554 -0.221 0.000 2.841 82 T HA 0.639 4.990 4.350 0.002 0.000 0.296 82 T C -1.438 173.073 174.700 -0.315 0.000 1.166 82 T CA -0.781 61.236 62.100 -0.139 0.000 1.007 82 T CB 1.683 70.529 68.868 -0.037 0.000 1.253 82 T HN 0.271 nan 8.240 nan 0.000 0.511 83 Y N 0.144 120.435 120.300 -0.016 0.000 2.376 83 Y HA 0.515 5.066 4.550 0.002 0.000 0.340 83 Y C -0.125 175.771 175.900 -0.007 0.000 0.965 83 Y CA -1.076 57.022 58.100 -0.004 0.000 1.078 83 Y CB 1.747 40.183 38.460 -0.039 0.000 1.193 83 Y HN 0.718 nan 8.280 nan 0.000 0.452 84 D N 2.068 122.566 120.400 0.162 0.000 2.396 84 D HA 0.105 4.746 4.640 0.002 0.000 0.225 84 D C 0.635 177.020 176.300 0.141 0.000 1.121 84 D CA 0.072 54.147 54.000 0.124 0.000 0.853 84 D CB 1.274 42.154 40.800 0.134 0.000 1.043 84 D HN 0.809 nan 8.370 nan 0.000 0.500 85 T N 1.034 115.615 114.554 0.046 0.000 3.014 85 T HA -0.054 4.297 4.350 0.002 0.000 0.250 85 T C 1.886 176.622 174.700 0.061 0.000 1.060 85 T CA -0.215 61.905 62.100 0.034 0.000 1.040 85 T CB 0.091 68.746 68.868 -0.355 0.000 0.971 85 T HN 0.254 nan 8.240 nan 0.000 0.497 86 L N 2.619 123.848 121.223 0.009 0.000 2.079 86 L HA -0.008 4.333 4.340 0.002 0.000 0.210 86 L C 2.657 179.435 176.870 -0.153 0.000 1.081 86 L CA 1.501 56.345 54.840 0.007 0.000 0.752 86 L CB -1.063 41.061 42.059 0.110 0.000 0.896 86 L HN 0.674 nan 8.230 nan 0.000 0.433 87 C N -1.351 117.643 119.300 -0.511 0.000 2.409 87 C HA -0.009 4.452 4.460 0.002 0.000 0.288 87 C C 2.769 177.530 174.990 -0.382 0.000 1.395 87 C CA 0.213 58.593 59.018 -1.063 0.000 1.792 87 C CB -2.336 24.737 27.740 -1.112 0.000 1.847 87 C HN 0.593 nan 8.230 nan 0.000 0.534 88 A N 0.347 123.091 122.820 -0.126 0.000 2.067 88 A HA -0.080 4.241 4.320 0.002 0.000 0.219 88 A C 2.257 179.830 177.584 -0.018 0.000 1.158 88 A CA 1.444 53.463 52.037 -0.030 0.000 0.661 88 A CB -0.408 18.669 19.000 0.128 0.000 0.801 88 A HN 0.679 nan 8.150 nan 0.000 0.452 89 Q N 0.311 120.105 119.800 -0.010 0.000 2.435 89 Q HA 0.049 4.390 4.340 0.002 0.000 0.207 89 Q C 0.946 176.970 176.000 0.040 0.000 0.956 89 Q CA 0.525 56.345 55.803 0.029 0.000 0.917 89 Q CB -0.834 27.936 28.738 0.053 0.000 0.997 89 Q HN 0.493 nan 8.270 nan 0.000 0.497 90 S N 1.201 116.915 115.700 0.023 0.000 2.525 90 S HA 0.013 4.484 4.470 0.002 0.000 0.285 90 S C 0.731 175.356 174.600 0.041 0.000 1.283 90 S CA 0.015 58.255 58.200 0.068 0.000 1.072 90 S CB 0.416 63.669 63.200 0.088 0.000 0.867 90 S HN 0.111 nan 8.310 nan 0.000 0.492 91 Q N 2.121 121.951 119.800 0.051 0.000 2.149 91 Q HA 0.228 4.569 4.340 0.002 0.000 0.221 91 Q C -0.451 175.571 176.000 0.035 0.000 0.807 91 Q CA -0.014 55.811 55.803 0.037 0.000 1.000 91 Q CB 0.896 29.657 28.738 0.040 0.000 1.157 91 Q HN 0.773 nan 8.270 nan 0.000 0.487 92 Q N 1.149 120.975 119.800 0.044 0.000 2.340 92 Q HA 0.280 4.621 4.340 0.002 0.000 0.268 92 Q C -1.307 174.718 176.000 0.042 0.000 1.031 92 Q CA -0.325 55.500 55.803 0.037 0.000 0.804 92 Q CB 1.243 30.002 28.738 0.035 0.000 1.286 92 Q HN -0.173 nan 8.270 nan 0.000 0.448 93 D N 2.207 122.626 120.400 0.032 0.000 2.341 93 D HA 0.438 5.079 4.640 0.002 0.000 0.245 93 D C 0.113 176.435 176.300 0.036 0.000 1.106 93 D CA 0.348 54.367 54.000 0.032 0.000 0.905 93 D CB 1.277 42.090 40.800 0.022 0.000 1.202 93 D HN 0.687 nan 8.370 nan 0.000 0.426 94 G N 0.581 109.405 108.800 0.040 0.000 2.671 94 G HA2 0.393 4.354 3.960 0.002 0.000 0.275 94 G HA3 0.393 4.354 3.960 0.002 0.000 0.275 94 G C -1.639 173.281 174.900 0.033 0.000 1.368 94 G CA -0.668 44.457 45.100 0.041 0.000 1.044 94 G HN 0.344 nan 8.290 nan 0.000 0.543 95 P HA 0.162 nan 4.420 nan 0.000 0.245 95 P C 0.262 177.577 177.300 0.025 0.000 1.203 95 P CA -0.032 63.084 63.100 0.028 0.000 0.792 95 P CB 0.168 31.887 31.700 0.030 0.000 0.997 96 C N 1.118 120.436 119.300 0.029 0.000 2.534 96 C HA 0.565 5.026 4.460 0.002 0.000 0.385 96 C C 1.159 176.160 174.990 0.018 0.000 1.264 96 C CA 0.094 59.126 59.018 0.025 0.000 2.342 96 C CB 0.639 28.397 27.740 0.030 0.000 2.564 96 C HN 0.382 nan 8.230 nan 0.000 0.603 97 T N -1.120 113.442 114.554 0.013 0.000 2.838 97 T HA 0.458 4.809 4.350 0.002 0.000 0.292 97 T C -2.478 172.226 174.700 0.006 0.000 1.113 97 T CA -1.158 60.947 62.100 0.008 0.000 1.008 97 T CB 1.305 70.177 68.868 0.006 0.000 1.259 97 T HN 0.263 nan 8.240 nan 0.000 0.520 98 P HA 0.108 nan 4.420 nan 0.000 0.223 98 P C 1.488 178.788 177.300 -0.000 0.000 1.151 98 P CA 0.435 63.535 63.100 0.000 0.000 0.787 98 P CB 0.145 31.843 31.700 -0.003 0.000 0.788 99 R N -0.019 120.482 120.500 0.001 0.000 2.115 99 R HA -0.039 4.302 4.340 0.002 0.000 0.226 99 R C 0.489 176.790 176.300 0.000 0.000 1.100 99 R CA 0.888 56.988 56.100 0.000 0.000 0.980 99 R CB 0.195 30.496 30.300 0.000 0.000 0.875 99 R HN 0.078 nan 8.270 nan 0.000 0.445 100 R N -0.378 120.124 120.500 0.002 0.000 2.629 100 R HA 0.140 4.481 4.340 0.002 0.000 0.266 100 R C -1.801 174.503 176.300 0.007 0.000 1.051 100 R CA -0.736 55.366 56.100 0.003 0.000 0.895 100 R CB 0.065 30.367 30.300 0.003 0.000 1.246 100 R HN 0.067 nan 8.270 nan 0.000 0.459 101 C N 3.581 122.885 119.300 0.007 0.000 2.330 101 C HA 0.612 5.073 4.460 0.002 0.000 0.344 101 C C 0.762 175.763 174.990 0.019 0.000 1.273 101 C CA -0.668 58.358 59.018 0.012 0.000 1.879 101 C CB -0.586 27.158 27.740 0.006 0.000 2.376 101 C HN 0.782 nan 8.230 nan 0.000 0.534 102 L N 5.374 126.614 121.223 0.027 0.000 3.168 102 L HA 0.283 4.624 4.340 0.002 0.000 0.277 102 L C 2.079 178.980 176.870 0.051 0.000 1.245 102 L CA 0.268 55.128 54.840 0.034 0.000 1.035 102 L CB -0.019 42.058 42.059 0.029 0.000 1.399 102 L HN 1.020 nan 8.230 nan 0.000 0.580 103 G N 0.283 109.117 108.800 0.056 0.000 2.535 103 G HA2 -0.253 3.708 3.960 0.002 0.000 0.218 103 G HA3 -0.253 3.708 3.960 0.002 0.000 0.218 103 G C 1.571 176.542 174.900 0.118 0.000 1.122 103 G CA 1.150 46.298 45.100 0.080 0.000 0.769 103 G HN 0.499 nan 8.290 nan 0.000 0.549 104 S N -0.725 115.038 115.700 0.105 0.000 2.558 104 S HA 0.300 4.771 4.470 0.002 0.000 0.217 104 S C 0.739 175.426 174.600 0.145 0.000 0.975 104 S CA -0.444 57.837 58.200 0.135 0.000 0.912 104 S CB -0.007 63.247 63.200 0.090 0.000 0.776 104 S HN -0.006 nan 8.310 nan 0.000 0.526 105 L N 2.104 123.395 121.223 0.113 0.000 2.426 105 L HA 0.261 4.602 4.340 0.002 0.000 0.271 105 L C 1.365 178.319 176.870 0.139 0.000 1.169 105 L CA 0.179 55.078 54.840 0.098 0.000 0.836 105 L CB 0.982 43.075 42.059 0.056 0.000 1.112 105 L HN -0.003 nan 8.230 nan 0.000 0.465 106 V N 3.368 123.365 119.914 0.139 0.000 2.488 106 V HA -0.024 4.098 4.120 0.002 0.000 0.246 106 V C 0.689 176.777 176.094 -0.010 0.000 1.046 106 V CA 1.118 63.524 62.300 0.176 0.000 1.053 106 V CB -0.383 31.550 31.823 0.184 0.000 0.679 106 V HN 0.484 nan 8.190 nan 0.000 0.458 107 L N -0.759 120.418 121.223 -0.076 0.000 2.327 107 L HA 0.549 4.890 4.340 0.002 0.000 0.258 107 L C -2.748 174.096 176.870 -0.043 0.000 1.024 107 L CA -1.782 52.962 54.840 -0.160 0.000 0.825 107 L CB 1.905 43.798 42.059 -0.276 0.000 1.386 107 L HN -0.010 nan 8.230 nan 0.000 0.417 108 P HA 0.454 nan 4.420 nan 0.000 0.285 108 P C -0.135 177.159 177.300 -0.010 0.000 1.269 108 P CA -0.821 62.284 63.100 0.009 0.000 0.844 108 P CB 1.214 32.936 31.700 0.038 0.000 1.094 109 R N 1.255 121.751 120.500 -0.006 0.000 2.090 109 R HA -0.025 4.316 4.340 0.002 0.000 0.228 109 R C 0.750 177.043 176.300 -0.012 0.000 1.110 109 R CA 1.225 57.318 56.100 -0.012 0.000 0.973 109 R CB -0.111 30.185 30.300 -0.008 0.000 0.869 109 R HN 0.517 nan 8.270 nan 0.000 0.440 110 K N -0.429 119.970 120.400 -0.002 0.000 3.463 110 K HA 0.080 4.401 4.320 0.002 0.000 0.161 110 K C -0.009 176.596 176.600 0.008 0.000 0.980 110 K CA -0.039 56.247 56.287 -0.001 0.000 0.911 110 K CB 0.106 32.602 32.500 -0.006 0.000 0.679 110 K HN -0.106 nan 8.250 nan 0.000 0.427 111 L N 1.307 122.541 121.223 0.019 0.000 2.354 111 L HA 0.194 4.535 4.340 0.002 0.000 0.212 111 L C 0.976 177.864 176.870 0.030 0.000 1.091 111 L CA 0.912 55.767 54.840 0.025 0.000 0.828 111 L CB 0.049 42.129 42.059 0.035 0.000 0.973 111 L HN 0.372 nan 8.230 nan 0.000 0.461 112 Q N 0.769 120.592 119.800 0.039 0.000 2.368 112 Q HA -0.094 4.247 4.340 0.002 0.000 0.331 112 Q C -0.089 175.925 176.000 0.023 0.000 1.086 112 Q CA 0.341 56.173 55.803 0.048 0.000 1.031 112 Q CB 0.450 29.207 28.738 0.031 0.000 1.125 112 Q HN 0.407 nan 8.270 nan 0.000 0.389 113 T N 3.449 118.018 114.554 0.025 0.000 2.833 113 T HA 0.074 4.425 4.350 0.002 0.000 0.254 113 T C 0.106 174.801 174.700 -0.009 0.000 0.972 113 T CA -0.311 61.792 62.100 0.005 0.000 1.246 113 T CB -0.093 68.778 68.868 0.005 0.000 0.949 113 T HN 0.400 nan 8.240 nan 0.000 0.567 114 R N 3.732 124.224 120.500 -0.013 0.000 2.404 114 R HA 0.121 4.462 4.340 0.002 0.000 0.315 114 R C -2.267 174.018 176.300 -0.025 0.000 1.032 114 R CA -1.705 54.382 56.100 -0.022 0.000 0.992 114 R CB -0.174 30.115 30.300 -0.018 0.000 0.959 114 R HN 0.470 nan 8.270 nan 0.000 0.428 115 P HA -0.118 nan 4.420 nan 0.000 0.248 115 P C -0.452 176.833 177.300 -0.026 0.000 1.127 115 P CA 0.688 63.770 63.100 -0.031 0.000 0.801 115 P CB 0.107 31.785 31.700 -0.036 0.000 0.732 116 S N 5.933 121.616 115.700 -0.028 0.000 3.689 116 S HA -0.086 4.385 4.470 0.002 0.000 0.439 116 S C -0.897 173.691 174.600 -0.020 0.000 1.025 116 S CA -0.279 57.905 58.200 -0.027 0.000 1.576 116 S CB -0.401 62.778 63.200 -0.035 0.000 0.965 116 S HN 0.425 nan 8.310 nan 0.000 0.578 117 P HA 0.113 nan 4.420 nan 0.000 0.231 117 P C 0.764 178.058 177.300 -0.010 0.000 1.158 117 P CA 0.672 63.765 63.100 -0.012 0.000 0.763 117 P CB 0.062 31.755 31.700 -0.011 0.000 0.805 118 G N -1.922 106.872 108.800 -0.011 0.000 2.313 118 G HA2 0.273 4.234 3.960 0.002 0.000 0.296 118 G HA3 0.273 4.234 3.960 0.002 0.000 0.296 118 G C -3.308 171.585 174.900 -0.011 0.000 1.356 118 G CA -0.917 44.178 45.100 -0.009 0.000 0.833 118 G HN -0.362 nan 8.290 nan 0.000 0.552 119 P HA 0.240 nan 4.420 nan 0.000 0.265 119 P C -2.075 175.221 177.300 -0.006 0.000 1.187 119 P CA -0.390 62.705 63.100 -0.008 0.000 0.766 119 P CB 0.226 31.927 31.700 0.000 0.000 0.820 120 P HA 0.283 nan 4.420 nan 0.000 0.282 120 P C -2.585 174.719 177.300 0.007 0.000 1.249 120 P CA -1.918 61.180 63.100 -0.003 0.000 0.806 120 P CB -0.350 31.346 31.700 -0.007 0.000 0.984 121 P HA -0.079 nan 4.420 nan 0.000 0.257 121 P C 1.024 178.335 177.300 0.018 0.000 1.162 121 P CA 0.472 63.579 63.100 0.012 0.000 0.762 121 P CB 0.043 31.749 31.700 0.010 0.000 0.753 122 A N 4.563 127.394 122.820 0.019 0.000 1.927 122 A HA -0.275 4.046 4.320 0.002 0.000 0.220 122 A C 2.118 179.716 177.584 0.023 0.000 1.185 122 A CA 1.588 53.640 52.037 0.025 0.000 0.639 122 A CB -0.720 18.293 19.000 0.022 0.000 0.820 122 A HN 0.492 nan 8.150 nan 0.000 0.451 123 E N -0.631 119.579 120.200 0.018 0.000 2.031 123 E HA -0.235 4.116 4.350 0.002 0.000 0.193 123 E C 2.227 178.839 176.600 0.021 0.000 0.994 123 E CA 1.504 57.913 56.400 0.016 0.000 0.800 123 E CB -0.485 29.222 29.700 0.012 0.000 0.752 123 E HN 0.831 nan 8.360 nan 0.000 0.447 124 Q N 0.197 120.010 119.800 0.022 0.000 2.045 124 Q HA -0.210 4.131 4.340 0.002 0.000 0.206 124 Q C 2.375 178.398 176.000 0.037 0.000 0.991 124 Q CA 1.756 57.574 55.803 0.026 0.000 0.851 124 Q CB -0.237 28.513 28.738 0.020 0.000 0.911 124 Q HN 0.195 nan 8.270 nan 0.000 0.418 125 L N 0.625 121.874 121.223 0.043 0.000 1.994 125 L HA -0.170 4.171 4.340 0.002 0.000 0.208 125 L C 2.261 179.177 176.870 0.077 0.000 1.071 125 L CA 1.642 56.525 54.840 0.072 0.000 0.745 125 L CB -0.977 41.132 42.059 0.083 0.000 0.892 125 L HN 0.427 nan 8.230 nan 0.000 0.431 126 L N -0.901 120.349 121.223 0.043 0.000 2.127 126 L HA -0.198 4.143 4.340 0.002 0.000 0.211 126 L C 2.672 179.551 176.870 0.014 0.000 1.089 126 L CA 2.102 56.945 54.840 0.005 0.000 0.757 126 L CB -0.978 41.080 42.059 -0.002 0.000 0.899 126 L HN 0.510 nan 8.230 nan 0.000 0.434 127 S N -1.316 114.403 115.700 0.032 0.000 2.368 127 S HA -0.216 4.255 4.470 0.002 0.000 0.224 127 S C 1.927 176.566 174.600 0.065 0.000 1.029 127 S CA 1.471 59.695 58.200 0.040 0.000 0.988 127 S CB -0.146 63.075 63.200 0.036 0.000 0.838 127 S HN 0.687 nan 8.310 nan 0.000 0.462 128 Q N 0.235 120.082 119.800 0.078 0.000 2.172 128 Q HA 0.083 4.424 4.340 0.002 0.000 0.200 128 Q C 2.464 178.562 176.000 0.164 0.000 0.964 128 Q CA 1.255 57.124 55.803 0.110 0.000 0.855 128 Q CB -0.319 28.476 28.738 0.094 0.000 0.918 128 Q HN 0.675 nan 8.270 nan 0.000 0.444 129 A N 1.309 124.211 122.820 0.137 0.000 1.898 129 A HA -0.174 4.148 4.320 0.002 0.000 0.216 129 A C 1.980 179.643 177.584 0.131 0.000 1.181 129 A CA 1.139 53.251 52.037 0.125 0.000 0.620 129 A CB -0.292 18.582 19.000 -0.210 0.000 0.819 129 A HN 0.194 nan 8.150 nan 0.000 0.442 130 R N -0.460 120.086 120.500 0.077 0.000 2.081 130 R HA -0.145 4.196 4.340 0.002 0.000 0.235 130 R C 2.009 178.398 176.300 0.149 0.000 1.131 130 R CA 1.577 57.732 56.100 0.093 0.000 0.960 130 R CB -0.481 29.848 30.300 0.049 0.000 0.856 130 R HN 0.708 nan 8.270 nan 0.000 0.436 131 D N 0.284 120.775 120.400 0.152 0.000 2.117 131 D HA -0.211 4.430 4.640 0.002 0.000 0.197 131 D C 1.662 178.085 176.300 0.204 0.000 0.987 131 D CA 0.968 55.063 54.000 0.158 0.000 0.829 131 D CB -0.063 40.824 40.800 0.145 0.000 0.961 131 D HN 0.138 nan 8.370 nan 0.000 0.460 132 F N 0.972 121.006 119.950 0.140 0.000 2.075 132 F HA -0.111 4.417 4.527 0.002 0.000 0.297 132 F C 2.039 177.966 175.800 0.213 0.000 1.113 132 F CA 1.202 59.314 58.000 0.187 0.000 1.218 132 F CB -0.370 38.742 39.000 0.186 0.000 0.984 132 F HN -0.033 nan 8.300 nan 0.000 0.472 133 I N 1.103 121.745 120.570 0.120 0.000 2.194 133 I HA -0.361 3.810 4.170 0.002 0.000 0.246 133 I C 2.102 178.238 176.117 0.031 0.000 1.093 133 I CA 1.426 62.767 61.300 0.069 0.000 1.355 133 I CB -1.708 36.445 38.000 0.255 0.000 1.046 133 I HN 0.280 nan 8.210 nan 0.000 0.413 134 N N 0.913 119.682 118.700 0.115 0.000 2.069 134 N HA -0.208 4.533 4.740 0.002 0.000 0.191 134 N C 1.854 177.310 175.510 -0.090 0.000 1.031 134 N CA 1.213 54.316 53.050 0.088 0.000 0.852 134 N CB -0.418 38.168 38.487 0.164 0.000 1.018 134 N HN 0.503 nan 8.380 nan 0.000 0.423 135 Q N -0.642 119.113 119.800 -0.075 0.000 2.152 135 Q HA -0.203 4.138 4.340 0.002 0.000 0.206 135 Q C 1.796 177.568 176.000 -0.379 0.000 0.985 135 Q CA 1.400 57.155 55.803 -0.080 0.000 0.863 135 Q CB -0.233 28.573 28.738 0.114 0.000 0.904 135 Q HN 0.489 nan 8.270 nan 0.000 0.422 136 Y N -0.377 119.469 120.300 -0.756 0.000 2.163 136 Y HA -0.256 4.295 4.550 0.002 0.000 0.288 136 Y C 1.582 176.921 175.900 -0.935 0.000 1.136 136 Y CA 1.502 58.878 58.100 -1.207 0.000 1.147 136 Y CB -0.385 37.441 38.460 -1.057 0.000 0.987 136 Y HN 0.080 nan 8.280 nan 0.000 0.509 137 Y N -0.321 119.555 120.300 -0.708 0.000 2.373 137 Y HA -0.177 4.374 4.550 0.002 0.000 0.293 137 Y C 2.706 178.280 175.900 -0.544 0.000 1.129 137 Y CA 1.479 59.155 58.100 -0.708 0.000 1.226 137 Y CB -0.299 37.661 38.460 -0.834 0.000 1.000 137 Y HN 0.084 nan 8.280 nan 0.000 0.549 138 S N -0.568 114.931 115.700 -0.335 0.000 2.382 138 S HA -0.242 4.229 4.470 0.002 0.000 0.228 138 S C 2.290 176.726 174.600 -0.273 0.000 1.027 138 S CA 1.358 59.426 58.200 -0.221 0.000 0.991 138 S CB -0.630 62.490 63.200 -0.133 0.000 0.823 138 S HN 0.639 nan 8.310 nan 0.000 0.469 139 S N 2.874 118.301 115.700 -0.454 0.000 2.359 139 S HA -0.117 4.354 4.470 0.002 0.000 0.224 139 S C 1.728 176.097 174.600 -0.385 0.000 1.035 139 S CA 1.406 59.349 58.200 -0.428 0.000 1.018 139 S CB -0.826 61.901 63.200 -0.789 0.000 0.876 139 S HN 0.710 nan 8.310 nan 0.000 0.448 140 I N -2.394 117.848 120.570 -0.547 0.000 3.810 140 I HA 0.387 4.558 4.170 0.002 0.000 0.322 140 I C 0.645 176.625 176.117 -0.229 0.000 1.288 140 I CA -0.202 60.861 61.300 -0.395 0.000 1.143 140 I CB -0.376 37.310 38.000 -0.523 0.000 1.012 140 I HN 0.145 nan 8.210 nan 0.000 0.423 141 K N 0.842 121.126 120.400 -0.193 0.000 3.547 141 K HA -0.153 4.168 4.320 0.002 0.000 0.309 141 K C 0.158 176.719 176.600 -0.066 0.000 1.324 141 K CA 1.112 57.336 56.287 -0.106 0.000 0.988 141 K CB -1.107 31.344 32.500 -0.081 0.000 1.261 141 K HN 0.528 nan 8.250 nan 0.000 0.444 142 R N 1.004 121.473 120.500 -0.052 0.000 2.978 142 R HA 0.148 4.489 4.340 0.002 0.000 0.298 142 R C 0.366 176.692 176.300 0.044 0.000 1.296 142 R CA -0.066 56.047 56.100 0.022 0.000 1.181 142 R CB 0.481 30.834 30.300 0.087 0.000 1.348 142 R HN 0.101 nan 8.270 nan 0.000 0.585 143 S N 0.175 115.880 115.700 0.009 0.000 2.566 143 S HA 0.240 4.711 4.470 0.002 0.000 0.280 143 S C 1.521 176.196 174.600 0.124 0.000 1.343 143 S CA 1.105 59.340 58.200 0.058 0.000 1.036 143 S CB 0.330 63.547 63.200 0.028 0.000 0.866 143 S HN 0.746 nan 8.310 nan 0.000 0.526 144 G N 2.264 111.233 108.800 0.282 0.000 2.216 144 G HA2 -0.333 3.628 3.960 0.002 0.000 0.269 144 G HA3 -0.333 3.628 3.960 0.002 0.000 0.269 144 G C 0.416 175.304 174.900 -0.020 0.000 0.981 144 G CA 1.073 46.205 45.100 0.052 0.000 0.658 144 G HN 1.650 nan 8.290 nan 0.000 0.539 145 S N -1.081 114.611 115.700 -0.012 0.000 2.626 145 S HA 0.397 4.868 4.470 0.002 0.000 0.257 145 S C 1.371 175.914 174.600 -0.094 0.000 1.288 145 S CA 0.695 58.866 58.200 -0.049 0.000 0.980 145 S CB 1.114 64.294 63.200 -0.033 0.000 0.975 145 S HN 0.544 nan 8.310 nan 0.000 0.577 146 Q N 0.400 120.156 119.800 -0.073 0.000 2.050 146 Q HA -0.127 4.214 4.340 0.002 0.000 0.202 146 Q C 2.285 178.224 176.000 -0.102 0.000 0.980 146 Q CA 1.558 57.315 55.803 -0.076 0.000 0.840 146 Q CB -0.852 27.862 28.738 -0.040 0.000 0.898 146 Q HN 0.911 nan 8.270 nan 0.000 0.424 147 A N 0.477 123.239 122.820 -0.098 0.000 1.883 147 A HA -0.283 4.038 4.320 0.002 0.000 0.217 147 A C 1.907 179.285 177.584 -0.343 0.000 1.186 147 A CA 1.872 53.854 52.037 -0.092 0.000 0.624 147 A CB -1.234 17.809 19.000 0.073 0.000 0.822 147 A HN 0.739 nan 8.150 nan 0.000 0.444 148 H N -1.032 117.477 119.070 -0.936 0.000 2.265 148 H HA -0.223 4.334 4.556 0.002 0.000 0.295 148 H C 2.270 177.328 175.328 -0.450 0.000 1.084 148 H CA 1.788 57.100 56.048 -1.227 0.000 1.261 148 H CB 0.035 29.255 29.762 -0.903 0.000 1.360 148 H HN 0.500 nan 8.280 nan 0.000 0.487 149 E N 0.759 120.785 120.200 -0.290 0.000 2.058 149 E HA -0.188 4.163 4.350 0.002 0.000 0.194 149 E C 2.113 178.637 176.600 -0.126 0.000 0.997 149 E CA 1.899 58.154 56.400 -0.243 0.000 0.801 149 E CB -0.129 29.458 29.700 -0.188 0.000 0.746 149 E HN 0.613 nan 8.360 nan 0.000 0.450 150 E N -0.768 119.379 120.200 -0.088 0.000 2.204 150 E HA -0.176 4.175 4.350 0.002 0.000 0.194 150 E C 2.055 178.660 176.600 0.009 0.000 0.989 150 E CA 0.806 57.188 56.400 -0.032 0.000 0.824 150 E CB -0.030 29.662 29.700 -0.014 0.000 0.756 150 E HN -0.011 nan 8.360 nan 0.000 0.477 151 R N 1.074 121.595 120.500 0.034 0.000 2.090 151 R HA -0.036 4.305 4.340 0.002 0.000 0.228 151 R C 1.953 178.308 176.300 0.092 0.000 1.110 151 R CA 1.027 57.203 56.100 0.125 0.000 0.973 151 R CB -0.490 29.992 30.300 0.303 0.000 0.869 151 R HN 0.142 nan 8.270 nan 0.000 0.440 152 L N 0.265 121.521 121.223 0.056 0.000 2.083 152 L HA -0.170 4.171 4.340 0.002 0.000 0.209 152 L C 2.532 179.390 176.870 -0.019 0.000 1.083 152 L CA 1.588 56.437 54.840 0.015 0.000 0.752 152 L CB -0.440 41.594 42.059 -0.041 0.000 0.899 152 L HN 0.311 nan 8.230 nan 0.000 0.433 153 Q N -0.267 119.521 119.800 -0.021 0.000 2.079 153 Q HA -0.209 4.132 4.340 0.002 0.000 0.200 153 Q C 2.117 178.117 176.000 -0.001 0.000 0.974 153 Q CA 1.367 57.160 55.803 -0.018 0.000 0.840 153 Q CB -0.053 28.674 28.738 -0.019 0.000 0.898 153 Q HN 0.555 nan 8.270 nan 0.000 0.430 154 E N 0.028 120.239 120.200 0.018 0.000 2.058 154 E HA -0.179 4.172 4.350 0.002 0.000 0.194 154 E C 2.133 178.749 176.600 0.027 0.000 0.997 154 E CA 1.393 57.815 56.400 0.037 0.000 0.801 154 E CB -0.036 29.703 29.700 0.065 0.000 0.746 154 E HN 0.121 nan 8.360 nan 0.000 0.450 155 V N 1.653 121.559 119.914 -0.015 0.000 2.287 155 V HA -0.276 3.845 4.120 0.002 0.000 0.248 155 V C 2.095 178.127 176.094 -0.103 0.000 1.053 155 V CA 1.980 64.204 62.300 -0.127 0.000 1.027 155 V CB -0.477 31.178 31.823 -0.281 0.000 0.646 155 V HN 0.255 nan 8.190 nan 0.000 0.447 156 E N 0.073 120.233 120.200 -0.066 0.000 2.110 156 E HA -0.186 4.165 4.350 0.002 0.000 0.193 156 E C 2.320 178.916 176.600 -0.005 0.000 0.988 156 E CA 1.228 57.605 56.400 -0.039 0.000 0.804 156 E CB -0.324 29.357 29.700 -0.031 0.000 0.745 156 E HN 0.609 nan 8.360 nan 0.000 0.458 157 A N 1.261 124.085 122.820 0.007 0.000 1.933 157 A HA -0.251 4.070 4.320 0.002 0.000 0.218 157 A C 2.002 179.613 177.584 0.044 0.000 1.175 157 A CA 1.589 53.640 52.037 0.024 0.000 0.628 157 A CB -0.343 18.673 19.000 0.027 0.000 0.814 157 A HN 0.192 nan 8.150 nan 0.000 0.444 158 E N -0.597 119.642 120.200 0.065 0.000 2.076 158 E HA -0.067 4.284 4.350 0.002 0.000 0.190 158 E C 1.921 178.587 176.600 0.111 0.000 0.979 158 E CA 0.980 57.447 56.400 0.111 0.000 0.807 158 E CB -0.019 29.793 29.700 0.187 0.000 0.761 158 E HN 0.334 nan 8.360 nan 0.000 0.454 159 V N 1.140 121.107 119.914 0.088 0.000 2.295 159 V HA -0.269 3.852 4.120 0.002 0.000 0.246 159 V C 2.381 178.509 176.094 0.056 0.000 1.049 159 V CA 1.813 64.164 62.300 0.085 0.000 1.024 159 V CB -0.745 31.110 31.823 0.052 0.000 0.648 159 V HN 0.391 nan 8.190 nan 0.000 0.447 160 A N -0.374 122.469 122.820 0.039 0.000 1.917 160 A HA -0.231 4.090 4.320 0.002 0.000 0.219 160 A C 2.449 180.053 177.584 0.034 0.000 1.182 160 A CA 2.608 54.663 52.037 0.030 0.000 0.633 160 A CB -0.565 18.447 19.000 0.020 0.000 0.819 160 A HN 0.543 nan 8.150 nan 0.000 0.448 161 S N -1.371 114.355 115.700 0.043 0.000 2.404 161 S HA -0.046 4.425 4.470 0.002 0.000 0.223 161 S C 2.056 176.685 174.600 0.049 0.000 1.040 161 S CA 1.509 59.734 58.200 0.042 0.000 0.957 161 S CB -0.201 63.026 63.200 0.044 0.000 0.826 161 S HN 0.880 nan 8.310 nan 0.000 0.491 162 T N -2.127 112.465 114.554 0.065 0.000 3.014 162 T HA 0.437 4.788 4.350 0.002 0.000 0.250 162 T C 1.449 176.185 174.700 0.060 0.000 1.060 162 T CA 0.857 62.999 62.100 0.069 0.000 1.040 162 T CB 0.356 69.283 68.868 0.098 0.000 0.971 162 T HN 0.577 nan 8.240 nan 0.000 0.497 163 G N 0.190 109.027 108.800 0.062 0.000 2.141 163 G HA2 -0.128 3.833 3.960 0.002 0.000 0.242 163 G HA3 -0.128 3.833 3.960 0.002 0.000 0.242 163 G C 0.151 175.085 174.900 0.056 0.000 0.982 163 G CA 0.501 45.632 45.100 0.050 0.000 0.662 163 G HN 1.052 nan 8.290 nan 0.000 0.527 164 T N -1.705 112.901 114.554 0.086 0.000 2.658 164 T HA 0.680 5.031 4.350 0.002 0.000 0.306 164 T C -1.163 173.649 174.700 0.186 0.000 1.544 164 T CA 0.500 62.645 62.100 0.075 0.000 0.991 164 T CB 1.092 69.913 68.868 -0.079 0.000 1.774 164 T HN 1.662 nan 8.240 nan 0.000 0.479 165 Y N -0.895 119.333 120.300 -0.119 0.000 2.905 165 Y HA 0.847 5.398 4.550 0.002 0.000 0.322 165 Y C -1.639 174.087 175.900 -0.290 0.000 1.455 165 Y CA -1.196 56.888 58.100 -0.028 0.000 1.083 165 Y CB 0.757 39.240 38.460 0.038 0.000 1.473 165 Y HN 0.792 nan 8.280 nan 0.000 0.449 166 H N 0.315 119.417 119.070 0.053 0.000 2.821 166 H HA 0.666 5.223 4.556 0.002 0.000 0.373 166 H C -1.052 174.343 175.328 0.112 0.000 1.165 166 H CA -0.826 55.192 56.048 -0.049 0.000 1.154 166 H CB 1.984 31.757 29.762 0.018 0.000 1.765 166 H HN 0.717 nan 8.280 nan 0.000 0.549 167 L N 1.530 122.836 121.223 0.138 0.000 2.439 167 L HA 0.527 4.869 4.340 0.002 0.000 0.259 167 L C 0.412 177.356 176.870 0.124 0.000 1.129 167 L CA -0.738 54.200 54.840 0.163 0.000 0.803 167 L CB 0.792 42.901 42.059 0.083 0.000 1.161 167 L HN 0.402 nan 8.230 nan 0.000 0.462 168 R N 0.306 120.849 120.500 0.072 0.000 2.486 168 R HA 0.113 4.454 4.340 0.002 0.000 0.286 168 R C 0.764 177.057 176.300 -0.011 0.000 0.999 168 R CA -0.513 55.602 56.100 0.026 0.000 0.993 168 R CB 1.550 31.845 30.300 -0.008 0.000 1.084 168 R HN 0.633 nan 8.270 nan 0.000 0.487 169 E N 1.418 121.615 120.200 -0.005 0.000 2.113 169 E HA -0.325 4.026 4.350 0.002 0.000 0.210 169 E C 1.445 178.034 176.600 -0.018 0.000 1.040 169 E CA 2.748 59.138 56.400 -0.017 0.000 0.847 169 E CB 0.040 29.736 29.700 -0.006 0.000 0.755 169 E HN 0.681 nan 8.360 nan 0.000 0.459 170 S N -0.203 115.490 115.700 -0.013 0.000 2.382 170 S HA -0.208 4.263 4.470 0.002 0.000 0.228 170 S C 1.852 176.450 174.600 -0.003 0.000 1.027 170 S CA 1.385 59.602 58.200 0.028 0.000 0.991 170 S CB -0.350 62.898 63.200 0.080 0.000 0.823 170 S HN 0.376 nan 8.310 nan 0.000 0.469 171 E N 0.802 120.874 120.200 -0.213 0.000 2.072 171 E HA -0.039 4.312 4.350 0.002 0.000 0.191 171 E C 2.013 178.731 176.600 0.196 0.000 0.985 171 E CA 1.064 57.342 56.400 -0.204 0.000 0.801 171 E CB -0.299 29.290 29.700 -0.184 0.000 0.750 171 E HN 0.428 nan 8.360 nan 0.000 0.452 172 L N 0.596 121.844 121.223 0.042 0.000 2.017 172 L HA -0.178 4.163 4.340 0.002 0.000 0.208 172 L C 2.206 179.064 176.870 -0.019 0.000 1.073 172 L CA 1.397 56.203 54.840 -0.056 0.000 0.745 172 L CB -0.353 41.619 42.059 -0.145 0.000 0.894 172 L HN -0.036 nan 8.230 nan 0.000 0.432 173 V N -0.437 119.493 119.914 0.026 0.000 2.287 173 V HA -0.340 3.781 4.120 0.002 0.000 0.248 173 V C 2.339 178.521 176.094 0.147 0.000 1.053 173 V CA 2.269 64.597 62.300 0.047 0.000 1.027 173 V CB -1.012 30.844 31.823 0.055 0.000 0.646 173 V HN 0.567 nan 8.190 nan 0.000 0.447 174 F N 2.055 122.085 119.950 0.133 0.000 2.134 174 F HA -0.039 4.489 4.527 0.002 0.000 0.299 174 F C 2.171 178.115 175.800 0.239 0.000 1.097 174 F CA 1.619 59.746 58.000 0.213 0.000 1.264 174 F CB -0.928 38.258 39.000 0.310 0.000 1.001 174 F HN 0.123 nan 8.300 nan 0.000 0.479 175 G N -0.161 108.749 108.800 0.182 0.000 2.418 175 G HA2 -0.237 3.724 3.960 0.002 0.000 0.217 175 G HA3 -0.237 3.724 3.960 0.002 0.000 0.217 175 G C 1.842 176.623 174.900 -0.197 0.000 1.158 175 G CA 0.936 46.038 45.100 0.002 0.000 0.771 175 G HN 0.640 nan 8.290 nan 0.000 0.545 176 A N 0.967 123.694 122.820 -0.154 0.000 1.858 176 A HA -0.031 4.291 4.320 0.002 0.000 0.216 176 A C 2.305 179.880 177.584 -0.015 0.000 1.190 176 A CA 2.038 53.992 52.037 -0.139 0.000 0.617 176 A CB -0.423 18.528 19.000 -0.081 0.000 0.827 176 A HN 0.374 nan 8.150 nan 0.000 0.443 177 K N -0.691 119.740 120.400 0.051 0.000 2.103 177 K HA -0.151 4.170 4.320 0.002 0.000 0.207 177 K C 2.257 178.909 176.600 0.087 0.000 1.048 177 K CA 1.401 57.821 56.287 0.221 0.000 0.930 177 K CB -0.115 32.565 32.500 0.300 0.000 0.716 177 K HN 0.428 nan 8.250 nan 0.000 0.444 178 Q N -0.068 119.605 119.800 -0.212 0.000 2.172 178 Q HA -0.031 4.311 4.340 0.002 0.000 0.200 178 Q C 2.179 178.041 176.000 -0.230 0.000 0.964 178 Q CA 1.254 56.847 55.803 -0.351 0.000 0.855 178 Q CB -0.131 28.302 28.738 -0.509 0.000 0.918 178 Q HN 0.322 nan 8.270 nan 0.000 0.444 179 A N 0.306 122.994 122.820 -0.219 0.000 1.902 179 A HA -0.180 4.141 4.320 0.002 0.000 0.217 179 A C 1.808 179.434 177.584 0.071 0.000 1.181 179 A CA 1.308 53.166 52.037 -0.299 0.000 0.623 179 A CB -0.878 17.586 19.000 -0.894 0.000 0.818 179 A HN 0.509 nan 8.150 nan 0.000 0.443 180 W N 0.915 122.231 121.300 0.026 0.000 2.378 180 W HA -0.109 4.552 4.660 0.002 0.000 0.313 180 W C 2.351 178.835 176.519 -0.058 0.000 1.197 180 W CA 1.480 58.866 57.345 0.067 0.000 1.304 180 W CB -0.777 28.708 29.460 0.042 0.000 1.148 180 W HN 0.367 nan 8.180 nan 0.000 0.494 181 R N 0.354 120.792 120.500 -0.104 0.000 2.117 181 R HA -0.205 4.136 4.340 0.002 0.000 0.243 181 R C 1.578 177.719 176.300 -0.266 0.000 1.143 181 R CA 1.926 57.748 56.100 -0.463 0.000 0.968 181 R CB -0.522 29.202 30.300 -0.961 0.000 0.863 181 R HN 0.133 nan 8.270 nan 0.000 0.444 182 N N 0.182 118.784 118.700 -0.163 0.000 2.422 182 N HA 0.021 4.762 4.740 0.002 0.000 0.181 182 N C -0.264 175.204 175.510 -0.070 0.000 1.080 182 N CA 0.647 53.621 53.050 -0.127 0.000 0.893 182 N CB 0.372 38.785 38.487 -0.124 0.000 0.973 182 N HN 0.159 nan 8.380 nan 0.000 0.456 183 A N 2.356 125.187 122.820 0.017 0.000 2.496 183 A HA 0.178 4.499 4.320 0.002 0.000 0.278 183 A C -1.227 176.342 177.584 -0.025 0.000 1.137 183 A CA -0.808 51.237 52.037 0.014 0.000 0.805 183 A CB 0.191 19.238 19.000 0.079 0.000 1.077 183 A HN 0.018 nan 8.150 nan 0.000 0.513 184 P HA -0.120 nan 4.420 nan 0.000 0.220 184 P C 1.119 178.379 177.300 -0.067 0.000 1.148 184 P CA 1.144 64.194 63.100 -0.084 0.000 0.803 184 P CB 0.155 31.773 31.700 -0.137 0.000 0.782 185 R N -2.243 118.179 120.500 -0.129 0.000 2.317 185 R HA 0.135 4.476 4.340 0.002 0.000 0.208 185 R C 0.309 176.614 176.300 0.009 0.000 0.914 185 R CA -0.116 55.924 56.100 -0.100 0.000 1.060 185 R CB -0.429 29.618 30.300 -0.421 0.000 1.015 185 R HN 0.174 nan 8.270 nan 0.000 0.498 186 C N 0.640 119.941 119.300 0.002 0.000 2.303 186 C HA 0.195 4.656 4.460 0.002 0.000 0.341 186 C C 1.924 176.907 174.990 -0.013 0.000 1.244 186 C CA -0.625 58.422 59.018 0.048 0.000 1.765 186 C CB 0.518 28.351 27.740 0.155 0.000 2.379 186 C HN 0.278 nan 8.230 nan 0.000 0.530 187 V N 5.993 125.855 119.914 -0.087 0.000 3.306 187 V HA 0.192 4.313 4.120 0.002 0.000 0.264 187 V C 1.799 177.954 176.094 0.101 0.000 1.149 187 V CA 2.130 64.299 62.300 -0.219 0.000 1.143 187 V CB -0.085 31.610 31.823 -0.213 0.000 0.767 187 V HN 1.070 nan 8.190 nan 0.000 0.476 188 G N -0.772 108.100 108.800 0.121 0.000 3.371 188 G HA2 0.043 4.004 3.960 0.002 0.000 0.248 188 G HA3 0.043 4.004 3.960 0.002 0.000 0.248 188 G C 1.237 176.163 174.900 0.044 0.000 1.161 188 G CA -0.321 44.855 45.100 0.127 0.000 0.796 188 G HN 0.421 nan 8.290 nan 0.000 0.539 189 R N -0.204 120.251 120.500 -0.076 0.000 2.303 189 R HA 0.007 4.348 4.340 0.002 0.000 0.225 189 R C 2.036 177.860 176.300 -0.794 0.000 1.114 189 R CA 0.406 56.151 56.100 -0.591 0.000 1.007 189 R CB -0.220 29.749 30.300 -0.550 0.000 0.861 189 R HN 0.474 nan 8.270 nan 0.000 0.471 190 I N 0.884 121.153 120.570 -0.501 0.000 2.567 190 I HA -0.252 3.919 4.170 0.002 0.000 0.257 190 I C 1.404 177.390 176.117 -0.219 0.000 1.184 190 I CA 1.303 62.464 61.300 -0.231 0.000 1.451 190 I CB 0.139 38.135 38.000 -0.006 0.000 1.089 190 I HN 0.185 nan 8.210 nan 0.000 0.441 191 Q N 0.591 120.203 119.800 -0.313 0.000 2.403 191 Q HA -0.115 4.226 4.340 0.002 0.000 0.203 191 Q C 1.614 177.176 176.000 -0.729 0.000 0.932 191 Q CA 0.450 56.071 55.803 -0.304 0.000 0.945 191 Q CB -0.249 28.492 28.738 0.004 0.000 1.045 191 Q HN 0.801 nan 8.270 nan 0.000 0.511 192 W N 0.103 120.680 121.300 -1.205 0.000 2.321 192 W HA -0.153 4.508 4.660 0.002 0.000 0.285 192 W C 1.108 177.371 176.519 -0.426 0.000 1.213 192 W CA 1.191 57.773 57.345 -1.271 0.000 1.205 192 W CB -1.176 27.719 29.460 -0.942 0.000 1.134 192 W HN 0.075 nan 8.180 nan 0.000 0.549 193 G N 1.044 109.204 108.800 -1.067 0.000 2.572 193 G HA2 -0.152 3.809 3.960 0.002 0.000 0.216 193 G HA3 -0.152 3.809 3.960 0.002 0.000 0.216 193 G C 0.818 175.529 174.900 -0.315 0.000 1.133 193 G CA -0.074 44.496 45.100 -0.882 0.000 0.791 193 G HN 0.231 nan 8.290 nan 0.000 0.538 194 K N 0.364 120.672 120.400 -0.153 0.000 2.356 194 K HA 0.486 4.807 4.320 0.002 0.000 0.243 194 K C -1.585 175.132 176.600 0.194 0.000 1.072 194 K CA -0.632 55.673 56.287 0.029 0.000 1.014 194 K CB 0.271 32.812 32.500 0.070 0.000 1.523 194 K HN 0.073 nan 8.250 nan 0.000 0.455 195 L N 3.207 124.516 121.223 0.144 0.000 2.441 195 L HA 0.317 4.658 4.340 0.002 0.000 0.270 195 L C -1.154 175.693 176.870 -0.039 0.000 0.973 195 L CA -0.446 54.477 54.840 0.138 0.000 0.842 195 L CB 1.786 43.993 42.059 0.247 0.000 1.239 195 L HN 0.392 nan 8.230 nan 0.000 0.406 196 Q N 3.167 122.883 119.800 -0.140 0.000 2.296 196 Q HA 0.449 4.790 4.340 0.002 0.000 0.263 196 Q C -1.385 174.231 176.000 -0.640 0.000 1.026 196 Q CA 0.129 55.662 55.803 -0.450 0.000 0.912 196 Q CB 0.987 29.319 28.738 -0.676 0.000 1.198 196 Q HN 0.517 nan 8.270 nan 0.000 0.407 197 V N 6.391 125.957 119.914 -0.579 0.000 2.328 197 V HA 0.370 4.491 4.120 0.002 0.000 0.278 197 V C -0.710 175.065 176.094 -0.531 0.000 1.021 197 V CA -0.582 61.446 62.300 -0.453 0.000 0.838 197 V CB 0.259 31.947 31.823 -0.225 0.000 0.999 197 V HN 0.607 nan 8.190 nan 0.000 0.447 198 F N 2.700 122.523 119.950 -0.212 0.000 2.391 198 F HA 0.360 4.888 4.527 0.002 0.000 0.359 198 F C 0.575 176.249 175.800 -0.209 0.000 1.122 198 F CA -1.055 56.832 58.000 -0.188 0.000 1.120 198 F CB 0.887 39.781 39.000 -0.177 0.000 1.142 198 F HN 0.432 nan 8.300 nan 0.000 0.483 199 D N 3.271 123.676 120.400 0.007 0.000 2.352 199 D HA 0.338 4.979 4.640 0.002 0.000 0.245 199 D C 0.203 176.421 176.300 -0.136 0.000 1.224 199 D CA 0.096 54.038 54.000 -0.098 0.000 0.879 199 D CB 1.024 41.792 40.800 -0.053 0.000 1.057 199 D HN 0.604 nan 8.370 nan 0.000 0.491 200 A N 4.584 127.143 122.820 -0.435 0.000 2.630 200 A HA 0.168 4.489 4.320 0.002 0.000 0.290 200 A C 1.594 178.841 177.584 -0.562 0.000 1.267 200 A CA -0.402 51.096 52.037 -0.898 0.000 0.950 200 A CB 0.009 17.869 19.000 -1.900 0.000 1.144 200 A HN 0.554 nan 8.150 nan 0.000 0.527 201 R N 0.051 120.393 120.500 -0.263 0.000 2.280 201 R HA -0.060 4.281 4.340 0.002 0.000 0.207 201 R C -0.067 176.188 176.300 -0.076 0.000 1.043 201 R CA 0.879 56.898 56.100 -0.135 0.000 1.006 201 R CB -0.002 30.282 30.300 -0.025 0.000 0.885 201 R HN 0.486 nan 8.270 nan 0.000 0.467 202 D N 0.413 120.793 120.400 -0.033 0.000 2.639 202 D HA 0.084 4.725 4.640 0.002 0.000 0.233 202 D C -1.478 174.900 176.300 0.129 0.000 1.161 202 D CA -0.239 53.800 54.000 0.066 0.000 1.003 202 D CB 0.156 41.023 40.800 0.112 0.000 1.034 202 D HN 0.014 nan 8.370 nan 0.000 0.514 203 C N 1.972 121.312 119.300 0.068 0.000 2.701 203 C HA 0.614 5.075 4.460 0.002 0.000 0.336 203 C C 0.606 175.707 174.990 0.185 0.000 1.123 203 C CA -0.209 58.895 59.018 0.144 0.000 1.326 203 C CB 0.892 28.666 27.740 0.057 0.000 1.833 203 C HN 0.551 nan 8.230 nan 0.000 0.473 204 S N 1.908 117.770 115.700 0.270 0.000 2.787 204 S HA 0.370 4.841 4.470 0.002 0.000 0.255 204 S C -0.026 174.745 174.600 0.285 0.000 1.051 204 S CA 0.336 58.731 58.200 0.324 0.000 1.124 204 S CB -0.099 63.225 63.200 0.206 0.000 1.104 204 S HN 1.575 nan 8.310 nan 0.000 0.623 205 S N -0.109 115.755 115.700 0.273 0.000 2.556 205 S HA 0.820 5.291 4.470 0.002 0.000 0.271 205 S C 0.836 175.546 174.600 0.183 0.000 1.135 205 S CA -0.276 58.039 58.200 0.191 0.000 0.858 205 S CB 1.240 64.530 63.200 0.150 0.000 1.114 205 S HN 0.499 nan 8.310 nan 0.000 0.468 206 A N 1.100 124.005 122.820 0.141 0.000 1.972 206 A HA -0.099 4.222 4.320 0.002 0.000 0.219 206 A C 2.085 179.668 177.584 -0.001 0.000 1.169 206 A CA 2.156 54.255 52.037 0.102 0.000 0.635 206 A CB -1.089 18.032 19.000 0.201 0.000 0.810 206 A HN 0.911 nan 8.150 nan 0.000 0.446 207 Q N 0.366 120.247 119.800 0.136 0.000 2.124 207 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 207 Q C 1.714 177.744 176.000 0.051 0.000 0.977 207 Q CA 2.270 58.119 55.803 0.076 0.000 0.850 207 Q CB -0.391 28.475 28.738 0.212 0.000 0.901 207 Q HN 0.757 nan 8.270 nan 0.000 0.429 208 E N -0.671 119.604 120.200 0.125 0.000 2.107 208 E HA -0.117 4.234 4.350 0.002 0.000 0.191 208 E C 2.012 178.795 176.600 0.306 0.000 0.982 208 E CA 1.164 57.686 56.400 0.203 0.000 0.809 208 E CB -0.122 29.740 29.700 0.269 0.000 0.756 208 E HN 0.443 nan 8.360 nan 0.000 0.459 209 M N -0.003 119.703 119.600 0.177 0.000 2.149 209 M HA -0.160 4.321 4.480 0.002 0.000 0.261 209 M C 2.143 178.487 176.300 0.074 0.000 1.064 209 M CA 1.366 56.720 55.300 0.089 0.000 1.102 209 M CB -0.260 32.155 32.600 -0.307 0.000 1.369 209 M HN 0.125 nan 8.290 nan 0.000 0.408 210 F N 0.693 120.462 119.950 -0.302 0.000 2.234 210 F HA -0.180 4.348 4.527 0.002 0.000 0.299 210 F C 2.190 177.894 175.800 -0.160 0.000 1.087 210 F CA 1.503 59.263 58.000 -0.400 0.000 1.340 210 F CB -0.138 38.286 39.000 -0.960 0.000 1.031 210 F HN 0.001 nan 8.300 nan 0.000 0.500 211 T N -0.507 113.949 114.554 -0.163 0.000 2.812 211 T HA -0.176 4.175 4.350 0.002 0.000 0.264 211 T C 1.542 176.095 174.700 -0.245 0.000 1.042 211 T CA 1.666 63.620 62.100 -0.243 0.000 1.140 211 T CB -0.600 68.175 68.868 -0.154 0.000 0.870 211 T HN 0.311 nan 8.240 nan 0.000 0.445 212 Y N 1.192 121.426 120.300 -0.110 0.000 2.097 212 Y HA -0.085 4.466 4.550 0.002 0.000 0.282 212 Y C 2.309 178.129 175.900 -0.132 0.000 1.152 212 Y CA 1.071 59.111 58.100 -0.098 0.000 1.136 212 Y CB -0.433 38.057 38.460 0.049 0.000 0.975 212 Y HN 0.149 nan 8.280 nan 0.000 0.498 213 I N -1.408 119.210 120.570 0.079 0.000 2.264 213 I HA -0.388 3.783 4.170 0.002 0.000 0.248 213 I C 2.323 178.329 176.117 -0.186 0.000 1.111 213 I CA 1.085 62.352 61.300 -0.054 0.000 1.382 213 I CB -0.526 37.415 38.000 -0.098 0.000 1.060 213 I HN 0.360 nan 8.210 nan 0.000 0.418 214 C N 0.663 119.742 119.300 -0.369 0.000 2.429 214 C HA -0.123 4.338 4.460 0.002 0.000 0.277 214 C C 2.636 177.513 174.990 -0.188 0.000 1.262 214 C CA 0.782 59.595 59.018 -0.342 0.000 1.733 214 C CB -1.365 26.076 27.740 -0.498 0.000 2.010 214 C HN 0.551 nan 8.230 nan 0.000 0.483 215 N N 0.023 118.598 118.700 -0.210 0.000 2.084 215 N HA -0.148 4.593 4.740 0.002 0.000 0.190 215 N C 1.466 176.867 175.510 -0.182 0.000 1.030 215 N CA 1.536 54.453 53.050 -0.222 0.000 0.849 215 N CB -0.895 37.379 38.487 -0.354 0.000 1.012 215 N HN 0.754 nan 8.380 nan 0.000 0.423 216 H N 0.679 119.569 119.070 -0.301 0.000 2.319 216 H HA 0.012 4.569 4.556 0.002 0.000 0.299 216 H C 2.165 177.517 175.328 0.039 0.000 1.092 216 H CA 1.548 57.503 56.048 -0.155 0.000 1.302 216 H CB -0.045 29.682 29.762 -0.058 0.000 1.373 216 H HN 0.099 nan 8.280 nan 0.000 0.497 217 I N 0.516 121.219 120.570 0.221 0.000 2.179 217 I HA -0.263 3.908 4.170 0.002 0.000 0.242 217 I C 2.685 178.885 176.117 0.138 0.000 1.088 217 I CA 1.507 62.902 61.300 0.158 0.000 1.357 217 I CB -0.323 37.683 38.000 0.011 0.000 1.051 217 I HN 0.327 nan 8.210 nan 0.000 0.409 218 K N 0.448 120.895 120.400 0.078 0.000 2.026 218 K HA -0.273 4.048 4.320 0.002 0.000 0.208 218 K C 2.403 179.068 176.600 0.109 0.000 1.048 218 K CA 1.837 58.161 56.287 0.062 0.000 0.929 218 K CB -0.314 32.195 32.500 0.015 0.000 0.713 218 K HN 0.220 nan 8.250 nan 0.000 0.439 219 Y N 0.775 121.094 120.300 0.031 0.000 2.163 219 Y HA -0.147 4.404 4.550 0.002 0.000 0.288 219 Y C 1.992 177.963 175.900 0.118 0.000 1.136 219 Y CA 1.510 59.661 58.100 0.085 0.000 1.147 219 Y CB -0.614 37.938 38.460 0.154 0.000 0.987 219 Y HN 0.158 nan 8.280 nan 0.000 0.509 220 A N -0.256 122.819 122.820 0.425 0.000 1.873 220 A HA -0.243 4.078 4.320 0.002 0.000 0.218 220 A C 2.232 179.921 177.584 0.176 0.000 1.193 220 A CA 2.743 54.983 52.037 0.338 0.000 0.629 220 A CB -1.470 17.763 19.000 0.390 0.000 0.826 220 A HN 0.540 nan 8.150 nan 0.000 0.447 221 T N -0.469 114.173 114.554 0.147 0.000 2.708 221 T HA -0.144 4.207 4.350 0.002 0.000 0.266 221 T C 1.024 175.747 174.700 0.038 0.000 1.037 221 T CA 1.092 63.255 62.100 0.105 0.000 1.146 221 T CB -0.610 68.313 68.868 0.093 0.000 0.865 221 T HN 0.759 nan 8.240 nan 0.000 0.435 222 N N 0.811 119.502 118.700 -0.015 0.000 2.705 222 N HA -0.292 4.449 4.740 0.002 0.000 0.255 222 N C -0.733 174.756 175.510 -0.035 0.000 1.008 222 N CA -0.103 52.905 53.050 -0.069 0.000 0.742 222 N CB -0.322 38.079 38.487 -0.145 0.000 0.906 222 N HN 0.103 nan 8.380 nan 0.000 0.541 223 R N -1.813 118.680 120.500 -0.012 0.000 3.741 223 R HA -0.218 4.123 4.340 0.002 0.000 0.292 223 R C 1.335 177.630 176.300 -0.009 0.000 1.176 223 R CA 1.733 57.828 56.100 -0.010 0.000 0.794 223 R CB -2.417 27.871 30.300 -0.019 0.000 1.213 223 R HN 1.083 nan 8.270 nan 0.000 0.494 224 G N -0.805 108.000 108.800 0.009 0.000 2.218 224 G HA2 -0.321 3.640 3.960 0.002 0.000 0.216 224 G HA3 -0.321 3.640 3.960 0.002 0.000 0.216 224 G C 0.073 174.974 174.900 0.003 0.000 0.994 224 G CA 0.152 45.260 45.100 0.013 0.000 0.637 224 G HN 0.491 nan 8.290 nan 0.000 0.505 225 N N 1.011 119.699 118.700 -0.020 0.000 3.234 225 N HA 0.446 5.187 4.740 0.002 0.000 0.272 225 N C 0.248 175.738 175.510 -0.034 0.000 1.254 225 N CA -0.722 52.296 53.050 -0.053 0.000 1.087 225 N CB -0.061 38.386 38.487 -0.066 0.000 1.356 225 N HN 0.127 nan 8.380 nan 0.000 0.511 226 L N 2.121 123.355 121.223 0.017 0.000 2.543 226 L HA 0.014 4.355 4.340 0.002 0.000 0.285 226 L C 0.614 177.599 176.870 0.192 0.000 1.236 226 L CA 1.122 56.044 54.840 0.136 0.000 0.871 226 L CB 0.160 42.388 42.059 0.280 0.000 1.121 226 L HN 0.356 nan 8.230 nan 0.000 0.501 227 R N 1.496 122.144 120.500 0.247 0.000 2.532 227 R HA 0.417 4.759 4.340 0.002 0.000 0.297 227 R C -0.635 175.882 176.300 0.361 0.000 0.984 227 R CA -0.660 55.623 56.100 0.305 0.000 0.884 227 R CB 1.653 32.027 30.300 0.122 0.000 1.182 227 R HN 0.582 nan 8.270 nan 0.000 0.442 228 S N 1.571 117.480 115.700 0.349 0.000 2.549 228 S HA 0.404 4.875 4.470 0.002 0.000 0.286 228 S C -0.156 174.499 174.600 0.092 0.000 1.314 228 S CA -0.126 58.151 58.200 0.129 0.000 1.062 228 S CB 1.075 64.278 63.200 0.005 0.000 0.865 228 S HN 0.704 nan 8.310 nan 0.000 0.498 229 A N 2.651 125.474 122.820 0.004 0.000 2.612 229 A HA 0.818 5.139 4.320 0.002 0.000 0.293 229 A C -1.217 176.328 177.584 -0.065 0.000 1.075 229 A CA -0.664 51.291 52.037 -0.138 0.000 0.680 229 A CB 1.185 20.034 19.000 -0.252 0.000 1.279 229 A HN 0.790 nan 8.150 nan 0.000 0.411 230 I N 0.246 120.766 120.570 -0.085 0.000 2.769 230 I HA 0.698 4.869 4.170 0.002 0.000 0.298 230 I C -1.137 175.058 176.117 0.131 0.000 1.128 230 I CA -0.207 61.193 61.300 0.167 0.000 1.031 230 I CB 2.499 40.579 38.000 0.133 0.000 1.235 230 I HN 0.617 nan 8.210 nan 0.000 0.423 231 T N 5.770 120.465 114.554 0.235 0.000 2.812 231 T HA 0.471 4.822 4.350 0.002 0.000 0.282 231 T C -0.952 173.604 174.700 -0.240 0.000 0.990 231 T CA -0.362 61.753 62.100 0.026 0.000 0.960 231 T CB 1.662 70.571 68.868 0.069 0.000 0.948 231 T HN 0.256 nan 8.240 nan 0.000 0.438 232 V N 4.909 124.588 119.914 -0.391 0.000 2.328 232 V HA 0.491 4.612 4.120 0.002 0.000 0.278 232 V C -0.445 175.333 176.094 -0.526 0.000 1.021 232 V CA -0.812 61.251 62.300 -0.395 0.000 0.838 232 V CB 0.094 31.656 31.823 -0.435 0.000 0.999 232 V HN 0.725 nan 8.190 nan 0.000 0.447 233 F N 5.011 124.877 119.950 -0.141 0.000 2.362 233 F HA 0.487 5.015 4.527 0.002 0.000 0.311 233 F C -1.772 173.933 175.800 -0.158 0.000 1.161 233 F CA -2.392 55.451 58.000 -0.263 0.000 1.085 233 F CB 0.165 39.004 39.000 -0.269 0.000 1.311 233 F HN 0.290 nan 8.300 nan 0.000 0.524 234 P HA -0.050 nan 4.420 nan 0.000 0.261 234 P C -0.874 176.431 177.300 0.008 0.000 1.173 234 P CA 0.080 63.083 63.100 -0.162 0.000 0.760 234 P CB 0.155 31.544 31.700 -0.519 0.000 0.783 235 Q N 4.002 123.753 119.800 -0.081 0.000 2.584 235 Q HA 0.114 4.455 4.340 0.002 0.000 0.235 235 Q C -0.160 175.712 176.000 -0.214 0.000 1.079 235 Q CA -0.175 55.308 55.803 -0.534 0.000 0.977 235 Q CB 0.503 28.682 28.738 -0.933 0.000 1.293 235 Q HN 0.359 nan 8.270 nan 0.000 0.553 236 R N -0.274 120.069 120.500 -0.261 0.000 2.531 236 R HA 0.590 4.931 4.340 0.002 0.000 0.273 236 R C -0.760 175.470 176.300 -0.117 0.000 1.070 236 R CA -0.078 55.959 56.100 -0.105 0.000 1.112 236 R CB 1.094 31.331 30.300 -0.105 0.000 1.049 236 R HN 0.737 nan 8.270 nan 0.000 0.508 237 A N 2.943 125.736 122.820 -0.044 0.000 2.414 237 A HA 0.544 4.865 4.320 0.002 0.000 0.306 237 A C -2.521 175.048 177.584 -0.025 0.000 1.054 237 A CA -1.900 50.114 52.037 -0.038 0.000 0.724 237 A CB 1.454 20.458 19.000 0.007 0.000 1.267 237 A HN 0.397 nan 8.150 nan 0.000 0.418 238 P HA 0.305 nan 4.420 nan 0.000 0.263 238 P C 1.016 178.313 177.300 -0.005 0.000 1.195 238 P CA 1.976 65.066 63.100 -0.016 0.000 0.762 238 P CB 0.611 32.304 31.700 -0.012 0.000 0.799 239 G N 1.873 110.669 108.800 -0.006 0.000 2.155 239 G HA2 -0.279 3.682 3.960 0.002 0.000 0.257 239 G HA3 -0.279 3.682 3.960 0.002 0.000 0.257 239 G C 0.243 175.142 174.900 -0.002 0.000 0.983 239 G CA -0.022 45.077 45.100 -0.002 0.000 0.676 239 G HN 0.743 nan 8.290 nan 0.000 0.528 240 R N 0.078 120.575 120.500 -0.004 0.000 2.807 240 R HA 0.592 4.933 4.340 0.002 0.000 0.276 240 R C 0.777 177.068 176.300 -0.016 0.000 0.979 240 R CA -0.094 56.001 56.100 -0.008 0.000 0.928 240 R CB 1.029 31.329 30.300 0.000 0.000 1.191 240 R HN 0.423 nan 8.270 nan 0.000 0.471 241 G N 1.648 110.428 108.800 -0.033 0.000 2.614 241 G HA2 0.055 4.016 3.960 0.002 0.000 0.239 241 G HA3 0.055 4.016 3.960 0.002 0.000 0.239 241 G C -0.576 174.297 174.900 -0.046 0.000 1.240 241 G CA -0.324 44.755 45.100 -0.036 0.000 0.842 241 G HN 0.600 nan 8.290 nan 0.000 0.584 242 D N -0.357 120.039 120.400 -0.006 0.000 2.312 242 D HA 0.340 4.981 4.640 0.002 0.000 0.248 242 D C -0.097 176.226 176.300 0.038 0.000 1.086 242 D CA 0.004 54.035 54.000 0.051 0.000 0.948 242 D CB 0.878 41.721 40.800 0.071 0.000 1.162 242 D HN 0.128 nan 8.370 nan 0.000 0.446 243 F N 1.034 121.003 119.950 0.032 0.000 2.412 243 F HA 0.350 4.878 4.527 0.002 0.000 0.348 243 F C 1.048 176.864 175.800 0.028 0.000 1.102 243 F CA 0.075 58.080 58.000 0.009 0.000 1.196 243 F CB 0.684 39.677 39.000 -0.012 0.000 1.144 243 F HN -0.192 nan 8.300 nan 0.000 0.541 244 R N 3.319 123.934 120.500 0.191 0.000 2.668 244 R HA 0.495 4.836 4.340 0.002 0.000 0.272 244 R C -1.401 175.023 176.300 0.207 0.000 1.019 244 R CA -0.805 55.419 56.100 0.206 0.000 0.894 244 R CB 2.163 32.628 30.300 0.274 0.000 1.228 244 R HN 0.621 nan 8.270 nan 0.000 0.460 245 I N 1.971 122.652 120.570 0.185 0.000 2.328 245 I HA 0.160 4.331 4.170 0.002 0.000 0.287 245 I C 0.487 176.792 176.117 0.312 0.000 1.012 245 I CA -0.447 60.954 61.300 0.168 0.000 1.195 245 I CB 1.204 39.245 38.000 0.067 0.000 1.350 245 I HN 0.534 nan 8.210 nan 0.000 0.464 246 W N 3.700 125.034 121.300 0.057 0.000 2.374 246 W HA -0.101 4.560 4.660 0.002 0.000 0.288 246 W C 0.935 177.553 176.519 0.165 0.000 1.218 246 W CA 0.175 57.615 57.345 0.158 0.000 1.245 246 W CB -0.793 28.754 29.460 0.145 0.000 1.126 246 W HN 0.416 nan 8.180 nan 0.000 0.545 247 N N -0.203 118.656 118.700 0.266 0.000 2.508 247 N HA 0.025 4.766 4.740 0.002 0.000 0.264 247 N C 1.343 176.910 175.510 0.095 0.000 1.216 247 N CA 0.800 53.932 53.050 0.137 0.000 0.943 247 N CB 0.817 39.322 38.487 0.030 0.000 1.113 247 N HN -0.118 nan 8.380 nan 0.000 0.447 248 S N 0.783 116.532 115.700 0.082 0.000 2.406 248 S HA -0.047 4.424 4.470 0.002 0.000 0.228 248 S C 0.329 174.921 174.600 -0.014 0.000 1.020 248 S CA 0.711 58.944 58.200 0.056 0.000 0.965 248 S CB 0.008 63.264 63.200 0.094 0.000 0.798 248 S HN 0.644 nan 8.310 nan 0.000 0.488 249 Q N -0.608 119.171 119.800 -0.035 0.000 2.451 249 Q HA 0.519 4.860 4.340 0.002 0.000 0.281 249 Q C 0.170 176.082 176.000 -0.147 0.000 1.099 249 Q CA -0.548 55.194 55.803 -0.102 0.000 0.806 249 Q CB 1.975 30.685 28.738 -0.046 0.000 1.419 249 Q HN 0.119 nan 8.270 nan 0.000 0.427 250 L N 0.190 121.297 121.223 -0.193 0.000 2.275 250 L HA 0.038 4.379 4.340 0.002 0.000 0.215 250 L C 0.188 176.904 176.870 -0.257 0.000 1.119 250 L CA 0.691 55.416 54.840 -0.193 0.000 0.790 250 L CB 0.231 42.166 42.059 -0.208 0.000 0.919 250 L HN 0.260 nan 8.230 nan 0.000 0.443 251 V N 0.439 120.115 119.914 -0.398 0.000 2.524 251 V HA 0.459 4.580 4.120 0.002 0.000 0.297 251 V C -0.319 175.216 176.094 -0.932 0.000 1.035 251 V CA -0.680 61.212 62.300 -0.679 0.000 0.867 251 V CB 1.798 33.088 31.823 -0.889 0.000 1.004 251 V HN 0.178 nan 8.190 nan 0.000 0.426 252 R N 2.604 122.709 120.500 -0.657 0.000 2.764 252 R HA 0.612 4.954 4.340 0.002 0.000 0.270 252 R C -1.886 174.164 176.300 -0.417 0.000 1.014 252 R CA -0.948 54.874 56.100 -0.463 0.000 0.904 252 R CB 2.587 32.802 30.300 -0.142 0.000 1.236 252 R HN 0.538 nan 8.270 nan 0.000 0.466 253 Y N 0.299 120.595 120.300 -0.008 0.000 2.361 253 Y HA 0.450 5.001 4.550 0.002 0.000 0.332 253 Y C 0.743 176.598 175.900 -0.075 0.000 1.101 253 Y CA -0.800 57.294 58.100 -0.010 0.000 1.137 253 Y CB 1.423 39.929 38.460 0.076 0.000 1.207 253 Y HN 0.713 nan 8.280 nan 0.000 0.463 254 A N 1.572 124.405 122.820 0.022 0.000 2.507 254 A HA 0.465 4.786 4.320 0.002 0.000 0.235 254 A C 0.696 178.050 177.584 -0.382 0.000 1.070 254 A CA 0.423 52.308 52.037 -0.253 0.000 0.768 254 A CB -0.338 18.385 19.000 -0.462 0.000 1.011 254 A HN 0.984 nan 8.150 nan 0.000 0.502 255 G N 0.829 109.412 108.800 -0.362 0.000 2.744 255 G HA2 0.526 4.487 3.960 0.002 0.000 0.309 255 G HA3 0.526 4.487 3.960 0.002 0.000 0.309 255 G C -0.868 173.913 174.900 -0.199 0.000 1.328 255 G CA -0.287 44.660 45.100 -0.255 0.000 1.034 255 G HN 0.576 nan 8.290 nan 0.000 0.518 256 Y N 1.556 121.869 120.300 0.021 0.000 2.425 256 Y HA 0.354 4.905 4.550 0.002 0.000 0.347 256 Y C 1.049 176.949 175.900 -0.000 0.000 0.976 256 Y CA -0.984 57.130 58.100 0.023 0.000 1.190 256 Y CB 1.315 39.785 38.460 0.017 0.000 1.136 256 Y HN 0.434 nan 8.280 nan 0.000 0.517 257 R N 3.807 124.399 120.500 0.154 0.000 2.288 257 R HA 0.108 4.449 4.340 0.002 0.000 0.330 257 R C -0.501 175.842 176.300 0.071 0.000 1.069 257 R CA 0.030 56.180 56.100 0.083 0.000 0.941 257 R CB 0.270 30.606 30.300 0.061 0.000 0.998 257 R HN 0.690 nan 8.270 nan 0.000 0.452 258 Q N 2.270 122.101 119.800 0.051 0.000 2.212 258 Q HA 0.036 4.377 4.340 0.002 0.000 0.238 258 Q C 0.918 176.927 176.000 0.015 0.000 0.955 258 Q CA -0.600 55.219 55.803 0.028 0.000 0.906 258 Q CB 1.531 30.282 28.738 0.022 0.000 1.215 258 Q HN 0.691 nan 8.270 nan 0.000 0.478 259 Q N 0.775 120.578 119.800 0.005 0.000 2.082 259 Q HA -0.269 4.072 4.340 0.002 0.000 0.211 259 Q C 0.349 176.352 176.000 0.004 0.000 1.002 259 Q CA 2.111 57.915 55.803 0.002 0.000 0.868 259 Q CB -0.500 28.235 28.738 -0.005 0.000 0.931 259 Q HN 0.601 nan 8.270 nan 0.000 0.414 260 D N 0.268 120.670 120.400 0.004 0.000 2.407 260 D HA 0.049 4.690 4.640 0.002 0.000 0.234 260 D C 1.225 177.529 176.300 0.007 0.000 1.029 260 D CA 1.037 55.040 54.000 0.004 0.000 0.937 260 D CB -0.351 40.450 40.800 0.003 0.000 0.882 260 D HN 0.640 nan 8.370 nan 0.000 0.531 261 G N 0.177 108.983 108.800 0.010 0.000 2.212 261 G HA2 -0.342 3.619 3.960 0.002 0.000 0.266 261 G HA3 -0.342 3.619 3.960 0.002 0.000 0.266 261 G C 0.710 175.618 174.900 0.014 0.000 0.978 261 G CA 0.806 45.914 45.100 0.013 0.000 0.632 261 G HN 0.685 nan 8.290 nan 0.000 0.537 262 S N -1.207 114.500 115.700 0.012 0.000 2.625 262 S HA 0.750 5.221 4.470 0.002 0.000 0.262 262 S C 0.052 174.657 174.600 0.009 0.000 1.223 262 S CA 0.126 58.331 58.200 0.008 0.000 0.993 262 S CB 2.110 65.313 63.200 0.005 0.000 1.051 262 S HN 1.192 nan 8.310 nan 0.000 0.562 263 V N 0.621 120.531 119.914 -0.006 0.000 2.777 263 V HA 0.510 4.631 4.120 0.002 0.000 0.306 263 V C -0.389 175.679 176.094 -0.043 0.000 1.112 263 V CA -0.756 61.537 62.300 -0.013 0.000 0.917 263 V CB 1.859 33.661 31.823 -0.034 0.000 1.018 263 V HN 0.924 nan 8.190 nan 0.000 0.426 264 R N 2.556 123.058 120.500 0.003 0.000 2.254 264 R HA 0.679 5.020 4.340 0.002 0.000 0.318 264 R C 0.674 176.905 176.300 -0.116 0.000 1.031 264 R CA 1.098 57.195 56.100 -0.005 0.000 0.905 264 R CB 1.094 31.477 30.300 0.138 0.000 1.050 264 R HN 1.311 nan 8.270 nan 0.000 0.456 265 G N 2.973 111.603 108.800 -0.284 0.000 2.484 265 G HA2 -0.272 3.689 3.960 0.002 0.000 0.225 265 G HA3 -0.272 3.689 3.960 0.002 0.000 0.225 265 G C -1.161 173.280 174.900 -0.765 0.000 1.250 265 G CA -0.029 44.789 45.100 -0.470 0.000 0.926 265 G HN 0.661 nan 8.290 nan 0.000 0.581 266 D N 1.754 121.879 120.400 -0.458 0.000 2.365 266 D HA 0.529 5.170 4.640 0.002 0.000 0.237 266 D C -0.823 175.386 176.300 -0.152 0.000 1.190 266 D CA -1.946 51.873 54.000 -0.301 0.000 0.867 266 D CB 1.193 42.142 40.800 0.247 0.000 1.050 266 D HN 0.000 nan 8.370 nan 0.000 0.491 267 P HA -0.133 nan 4.420 nan 0.000 0.218 267 P C 0.827 178.139 177.300 0.020 0.000 1.146 267 P CA 1.135 64.200 63.100 -0.059 0.000 0.813 267 P CB 0.255 31.928 31.700 -0.044 0.000 0.778 268 A N -1.023 121.833 122.820 0.060 0.000 2.168 268 A HA -0.076 4.245 4.320 0.002 0.000 0.215 268 A C 1.560 179.200 177.584 0.094 0.000 1.152 268 A CA 1.127 53.229 52.037 0.108 0.000 0.716 268 A CB -0.779 18.308 19.000 0.145 0.000 0.794 268 A HN 0.138 nan 8.150 nan 0.000 0.465 269 N N -0.378 118.357 118.700 0.058 0.000 2.273 269 N HA 0.143 4.884 4.740 0.002 0.000 0.231 269 N C 1.107 176.614 175.510 -0.005 0.000 1.134 269 N CA 0.095 53.165 53.050 0.033 0.000 0.856 269 N CB 0.676 39.178 38.487 0.024 0.000 1.068 269 N HN 0.177 nan 8.380 nan 0.000 0.510 270 V N 1.069 120.986 119.914 0.005 0.000 2.233 270 V HA -0.254 3.867 4.120 0.002 0.000 0.247 270 V C 2.416 178.511 176.094 0.002 0.000 1.050 270 V CA 1.836 64.139 62.300 0.005 0.000 1.010 270 V CB -0.257 31.578 31.823 0.021 0.000 0.637 270 V HN 0.380 nan 8.190 nan 0.000 0.444 271 E N -0.556 119.644 120.200 -0.000 0.000 2.033 271 E HA -0.292 4.059 4.350 0.002 0.000 0.199 271 E C 2.164 178.681 176.600 -0.139 0.000 1.011 271 E CA 2.070 58.437 56.400 -0.054 0.000 0.815 271 E CB -0.238 29.453 29.700 -0.016 0.000 0.755 271 E HN 0.464 nan 8.360 nan 0.000 0.451 272 I N 0.893 121.389 120.570 -0.123 0.000 2.208 272 I HA -0.261 3.910 4.170 0.002 0.000 0.245 272 I C 2.158 178.214 176.117 -0.101 0.000 1.097 272 I CA 1.776 62.982 61.300 -0.156 0.000 1.363 272 I CB -0.572 37.395 38.000 -0.056 0.000 1.051 272 I HN 0.106 nan 8.210 nan 0.000 0.413 273 T N 1.019 115.541 114.554 -0.053 0.000 2.759 273 T HA -0.169 4.182 4.350 0.002 0.000 0.269 273 T C 1.752 176.519 174.700 0.110 0.000 1.042 273 T CA 1.580 63.690 62.100 0.016 0.000 1.140 273 T CB -0.284 68.602 68.868 0.031 0.000 0.864 273 T HN 0.442 nan 8.240 nan 0.000 0.455 274 E N 1.275 121.506 120.200 0.053 0.000 2.012 274 E HA -0.067 4.284 4.350 0.002 0.000 0.197 274 E C 2.410 179.048 176.600 0.064 0.000 1.007 274 E CA 0.912 57.350 56.400 0.063 0.000 0.816 274 E CB -0.705 28.998 29.700 0.005 0.000 0.762 274 E HN 0.438 nan 8.360 nan 0.000 0.451 275 L N 0.723 121.936 121.223 -0.017 0.000 2.089 275 L HA -0.285 4.056 4.340 0.002 0.000 0.213 275 L C 2.839 179.779 176.870 0.115 0.000 1.079 275 L CA 1.178 56.040 54.840 0.038 0.000 0.758 275 L CB -0.584 41.426 42.059 -0.083 0.000 0.891 275 L HN 0.223 nan 8.230 nan 0.000 0.433 276 C N -0.036 119.290 119.300 0.043 0.000 2.455 276 C HA -0.179 4.282 4.460 0.002 0.000 0.281 276 C C 2.687 177.836 174.990 0.264 0.000 1.237 276 C CA 0.657 59.709 59.018 0.056 0.000 1.726 276 C CB -0.662 27.012 27.740 -0.109 0.000 2.068 276 C HN 0.427 nan 8.230 nan 0.000 0.466 277 I N 0.480 121.270 120.570 0.367 0.000 2.236 277 I HA -0.332 3.839 4.170 0.002 0.000 0.249 277 I C 2.770 178.990 176.117 0.171 0.000 1.102 277 I CA 1.688 63.173 61.300 0.309 0.000 1.365 277 I CB -0.732 37.412 38.000 0.240 0.000 1.051 277 I HN 0.556 nan 8.210 nan 0.000 0.420 278 Q N 0.556 120.449 119.800 0.155 0.000 2.061 278 Q HA -0.249 4.092 4.340 0.002 0.000 0.204 278 Q C 1.223 177.231 176.000 0.013 0.000 0.984 278 Q CA 1.739 57.588 55.803 0.077 0.000 0.846 278 Q CB -0.039 28.761 28.738 0.103 0.000 0.902 278 Q HN 0.584 nan 8.270 nan 0.000 0.421 279 H N -1.383 117.683 119.070 -0.007 0.000 2.669 279 H HA 0.242 4.799 4.556 0.002 0.000 0.297 279 H C 0.596 175.910 175.328 -0.023 0.000 1.071 279 H CA 0.714 56.733 56.048 -0.047 0.000 1.182 279 H CB 0.097 29.788 29.762 -0.118 0.000 1.343 279 H HN 0.541 nan 8.280 nan 0.000 0.582 280 G N -0.452 108.401 108.800 0.087 0.000 2.132 280 G HA2 -0.272 3.689 3.960 0.002 0.000 0.234 280 G HA3 -0.272 3.689 3.960 0.002 0.000 0.234 280 G C 0.002 174.975 174.900 0.122 0.000 0.989 280 G CA -0.004 45.133 45.100 0.062 0.000 0.676 280 G HN 0.468 nan 8.290 nan 0.000 0.522 281 W N 1.917 123.206 121.300 -0.018 0.000 2.272 281 W HA 0.648 5.309 4.660 0.002 0.000 0.318 281 W C 0.272 176.790 176.519 -0.002 0.000 1.255 281 W CA -0.022 57.314 57.345 -0.014 0.000 1.200 281 W CB 0.908 30.369 29.460 0.001 0.000 1.170 281 W HN 0.055 nan 8.180 nan 0.000 0.549 282 T N 9.499 123.703 114.554 -0.583 0.000 2.782 282 T HA 0.182 4.533 4.350 0.002 0.000 0.298 282 T C -2.056 171.889 174.700 -1.259 0.000 0.944 282 T CA -0.854 60.859 62.100 -0.644 0.000 1.001 282 T CB 0.242 68.897 68.868 -0.356 0.000 0.932 282 T HN 0.242 nan 8.240 nan 0.000 0.524 283 P HA 0.308 nan 4.420 nan 0.000 0.274 283 P C 0.368 177.272 177.300 -0.660 0.000 1.237 283 P CA -0.247 62.125 63.100 -1.213 0.000 0.793 283 P CB 1.030 32.385 31.700 -0.575 0.000 0.977 284 G N 1.071 109.640 108.800 -0.385 0.000 2.736 284 G HA2 0.316 4.277 3.960 0.002 0.000 0.229 284 G HA3 0.316 4.277 3.960 0.002 0.000 0.229 284 G C 0.328 174.902 174.900 -0.544 0.000 1.380 284 G CA -0.489 44.478 45.100 -0.223 0.000 1.040 284 G HN 0.699 nan 8.290 nan 0.000 0.568 285 N N -0.981 117.569 118.700 -0.251 0.000 2.162 285 N HA 0.141 4.882 4.740 0.002 0.000 0.232 285 N C 0.540 176.095 175.510 0.075 0.000 1.361 285 N CA 0.182 53.053 53.050 -0.298 0.000 0.786 285 N CB 0.177 38.519 38.487 -0.241 0.000 1.290 285 N HN 0.668 nan 8.380 nan 0.000 0.505 286 G N 0.557 109.493 108.800 0.227 0.000 2.580 286 G HA2 0.236 4.197 3.960 0.002 0.000 0.278 286 G HA3 0.236 4.197 3.960 0.002 0.000 0.278 286 G C 0.407 175.418 174.900 0.184 0.000 1.212 286 G CA -0.590 44.628 45.100 0.196 0.000 0.939 286 G HN 0.226 nan 8.290 nan 0.000 0.513 287 R N -0.973 119.558 120.500 0.051 0.000 2.254 287 R HA 0.176 4.517 4.340 0.002 0.000 0.195 287 R C -0.127 175.803 176.300 -0.617 0.000 0.957 287 R CA 0.335 56.295 56.100 -0.234 0.000 1.024 287 R CB 0.031 30.177 30.300 -0.257 0.000 0.952 287 R HN 0.401 nan 8.270 nan 0.000 0.484 288 F N 0.951 120.856 119.950 -0.076 0.000 2.577 288 F HA 0.296 4.824 4.527 0.002 0.000 0.342 288 F C -1.012 174.700 175.800 -0.148 0.000 1.479 288 F CA -1.075 56.640 58.000 -0.475 0.000 1.110 288 F CB 0.871 39.426 39.000 -0.742 0.000 1.306 288 F HN -0.247 nan 8.300 nan 0.000 0.554 289 D N 1.662 122.201 120.400 0.231 0.000 2.313 289 D HA 0.198 4.839 4.640 0.002 0.000 0.239 289 D C 0.197 176.748 176.300 0.419 0.000 1.142 289 D CA 0.044 54.256 54.000 0.354 0.000 0.847 289 D CB 2.359 43.420 40.800 0.435 0.000 1.082 289 D HN -0.045 nan 8.370 nan 0.000 0.480 290 V N 3.825 123.964 119.914 0.375 0.000 2.540 290 V HA -0.029 4.092 4.120 0.002 0.000 0.297 290 V C 1.020 177.139 176.094 0.042 0.000 1.024 290 V CA -0.118 62.287 62.300 0.175 0.000 1.105 290 V CB 0.162 32.040 31.823 0.093 0.000 0.938 290 V HN 0.337 nan 8.190 nan 0.000 0.482 291 L N 8.317 129.460 121.223 -0.133 0.000 2.452 291 L HA 0.358 4.699 4.340 0.002 0.000 0.267 291 L C -1.701 174.944 176.870 -0.374 0.000 1.188 291 L CA -1.329 53.290 54.840 -0.369 0.000 0.821 291 L CB 0.842 42.695 42.059 -0.343 0.000 1.102 291 L HN 0.489 nan 8.230 nan 0.000 0.470 292 P HA 0.308 nan 4.420 nan 0.000 0.280 292 P C -1.207 175.939 177.300 -0.256 0.000 1.272 292 P CA -0.591 62.277 63.100 -0.386 0.000 0.819 292 P CB 1.205 32.548 31.700 -0.595 0.000 1.122 293 L N 0.715 121.888 121.223 -0.083 0.000 2.343 293 L HA 0.435 4.776 4.340 0.002 0.000 0.275 293 L C 0.434 177.294 176.870 -0.017 0.000 1.056 293 L CA -0.838 53.993 54.840 -0.014 0.000 0.804 293 L CB 0.697 42.816 42.059 0.100 0.000 1.203 293 L HN 0.205 nan 8.230 nan 0.000 0.440 294 L N 4.554 125.742 121.223 -0.058 0.000 2.313 294 L HA 0.425 4.766 4.340 0.002 0.000 0.273 294 L C -0.614 176.163 176.870 -0.154 0.000 1.028 294 L CA -0.197 54.520 54.840 -0.205 0.000 0.871 294 L CB 0.828 42.670 42.059 -0.362 0.000 1.242 294 L HN 0.425 nan 8.230 nan 0.000 0.434 295 L N 3.578 124.789 121.223 -0.020 0.000 2.276 295 L HA 0.429 4.770 4.340 0.002 0.000 0.286 295 L C -0.043 176.780 176.870 -0.079 0.000 1.061 295 L CA -0.218 54.618 54.840 -0.007 0.000 0.807 295 L CB 1.436 43.520 42.059 0.042 0.000 1.177 295 L HN 0.572 nan 8.230 nan 0.000 0.429 296 Q N 2.956 122.710 119.800 -0.077 0.000 2.357 296 Q HA 0.603 4.944 4.340 0.002 0.000 0.266 296 Q C -0.886 175.072 176.000 -0.070 0.000 1.021 296 Q CA -0.577 55.178 55.803 -0.080 0.000 0.784 296 Q CB 1.925 30.662 28.738 -0.003 0.000 1.243 296 Q HN 0.786 nan 8.270 nan 0.000 0.465 297 A N 5.116 127.860 122.820 -0.126 0.000 2.304 297 A HA 0.571 4.892 4.320 0.002 0.000 0.271 297 A C -2.356 174.990 177.584 -0.397 0.000 1.091 297 A CA -1.516 50.324 52.037 -0.328 0.000 0.812 297 A CB 0.011 18.909 19.000 -0.170 0.000 1.056 297 A HN 0.644 nan 8.150 nan 0.000 0.489 298 P HA -0.038 nan 4.420 nan 0.000 0.259 298 P C -0.548 176.641 177.300 -0.186 0.000 1.163 298 P CA 0.920 63.779 63.100 -0.402 0.000 0.760 298 P CB 0.080 31.508 31.700 -0.455 0.000 0.762 299 D N 0.245 120.586 120.400 -0.097 0.000 2.792 299 D HA -0.195 4.446 4.640 0.002 0.000 0.231 299 D C -0.089 176.193 176.300 -0.030 0.000 1.160 299 D CA 1.330 55.307 54.000 -0.038 0.000 0.697 299 D CB -0.491 40.289 40.800 -0.033 0.000 1.070 299 D HN 0.447 nan 8.370 nan 0.000 0.426 300 E N -0.593 119.583 120.200 -0.041 0.000 2.266 300 E HA 0.625 4.976 4.350 0.002 0.000 0.268 300 E C 0.011 176.597 176.600 -0.023 0.000 0.879 300 E CA -0.782 55.598 56.400 -0.034 0.000 0.762 300 E CB 1.685 31.352 29.700 -0.054 0.000 1.199 300 E HN 0.160 nan 8.360 nan 0.000 0.422 301 A N 4.436 127.248 122.820 -0.012 0.000 2.540 301 A HA 0.237 4.558 4.320 0.002 0.000 0.239 301 A C -1.861 175.650 177.584 -0.122 0.000 1.061 301 A CA -0.658 51.371 52.037 -0.014 0.000 0.758 301 A CB -0.633 18.378 19.000 0.019 0.000 0.991 301 A HN 0.304 nan 8.150 nan 0.000 0.502 302 P HA 0.103 nan 4.420 nan 0.000 0.267 302 P C -0.460 176.613 177.300 -0.379 0.000 1.200 302 P CA 0.276 63.054 63.100 -0.536 0.000 0.772 302 P CB 0.657 31.554 31.700 -1.338 0.000 0.855 303 E N 0.594 120.635 120.200 -0.266 0.000 2.221 303 E HA 0.432 4.783 4.350 0.002 0.000 0.268 303 E C -0.754 175.619 176.600 -0.379 0.000 0.933 303 E CA -1.100 55.125 56.400 -0.292 0.000 0.809 303 E CB 1.504 31.053 29.700 -0.252 0.000 1.190 303 E HN 0.281 nan 8.360 nan 0.000 0.406 304 L N 2.767 123.674 121.223 -0.528 0.000 2.289 304 L HA 0.460 4.801 4.340 0.002 0.000 0.285 304 L C -1.635 174.802 176.870 -0.721 0.000 1.049 304 L CA 0.064 54.645 54.840 -0.432 0.000 0.804 304 L CB 0.192 42.100 42.059 -0.251 0.000 1.195 304 L HN 0.384 nan 8.230 nan 0.000 0.428 305 F N 4.020 123.815 119.950 -0.259 0.000 2.561 305 F HA 0.506 5.034 4.527 0.002 0.000 0.313 305 F C -0.324 175.313 175.800 -0.272 0.000 1.126 305 F CA -0.899 56.844 58.000 -0.429 0.000 0.918 305 F CB 1.962 40.478 39.000 -0.807 0.000 1.199 305 F HN 0.039 nan 8.300 nan 0.000 0.444 306 V N 4.456 124.338 119.914 -0.054 0.000 2.465 306 V HA 0.292 4.413 4.120 0.002 0.000 0.279 306 V C 0.110 176.321 176.094 0.196 0.000 1.045 306 V CA -0.737 61.600 62.300 0.063 0.000 0.938 306 V CB 1.418 33.298 31.823 0.095 0.000 0.986 306 V HN 0.526 nan 8.190 nan 0.000 0.467 307 L N 7.406 128.755 121.223 0.211 0.000 2.361 307 L HA 0.278 4.619 4.340 0.002 0.000 0.278 307 L C -2.119 174.857 176.870 0.177 0.000 1.113 307 L CA -1.522 53.464 54.840 0.243 0.000 0.849 307 L CB 0.443 42.572 42.059 0.116 0.000 1.155 307 L HN 0.433 nan 8.230 nan 0.000 0.452 308 P HA 0.018 nan 4.420 nan 0.000 0.258 308 P C -1.943 175.412 177.300 0.091 0.000 1.187 308 P CA -0.774 62.404 63.100 0.130 0.000 0.767 308 P CB 0.331 32.101 31.700 0.117 0.000 0.770 309 P HA -0.270 nan 4.420 nan 0.000 0.218 309 P C 1.400 178.736 177.300 0.060 0.000 1.154 309 P CA 1.515 64.661 63.100 0.077 0.000 0.872 309 P CB -0.159 31.588 31.700 0.078 0.000 0.790 310 E N -0.728 119.503 120.200 0.052 0.000 2.338 310 E HA -0.129 4.222 4.350 0.002 0.000 0.197 310 E C 1.637 178.258 176.600 0.035 0.000 1.007 310 E CA 0.956 57.379 56.400 0.039 0.000 0.849 310 E CB -0.988 28.732 29.700 0.033 0.000 0.774 310 E HN 0.216 nan 8.360 nan 0.000 0.506 311 L N 0.995 122.239 121.223 0.036 0.000 2.270 311 L HA 0.030 4.371 4.340 0.002 0.000 0.210 311 L C 0.916 177.804 176.870 0.030 0.000 1.104 311 L CA 0.644 55.499 54.840 0.025 0.000 0.804 311 L CB 0.236 42.301 42.059 0.011 0.000 0.937 311 L HN -0.096 nan 8.230 nan 0.000 0.450 312 V N 1.735 121.670 119.914 0.036 0.000 2.267 312 V HA 0.143 4.264 4.120 0.002 0.000 0.254 312 V C 0.093 176.224 176.094 0.061 0.000 1.144 312 V CA -0.821 61.502 62.300 0.038 0.000 0.992 312 V CB 0.521 32.359 31.823 0.025 0.000 1.199 312 V HN 0.019 nan 8.190 nan 0.000 0.493 313 L N 5.238 126.504 121.223 0.071 0.000 2.455 313 L HA 0.340 4.681 4.340 0.002 0.000 0.272 313 L C 0.251 177.174 176.870 0.089 0.000 1.174 313 L CA 0.832 55.711 54.840 0.064 0.000 0.869 313 L CB 0.200 42.295 42.059 0.060 0.000 1.130 313 L HN 0.630 nan 8.230 nan 0.000 0.474 314 E N 3.431 123.659 120.200 0.046 0.000 2.312 314 E HA 0.548 4.899 4.350 0.002 0.000 0.267 314 E C -1.442 175.113 176.600 -0.075 0.000 0.894 314 E CA -1.014 55.412 56.400 0.044 0.000 0.773 314 E CB 2.429 32.176 29.700 0.078 0.000 1.241 314 E HN 0.369 nan 8.360 nan 0.000 0.432 315 V N 3.406 123.236 119.914 -0.141 0.000 2.350 315 V HA 0.291 4.412 4.120 0.002 0.000 0.285 315 V C -2.220 173.786 176.094 -0.146 0.000 1.014 315 V CA -1.865 60.267 62.300 -0.279 0.000 0.831 315 V CB 1.204 32.552 31.823 -0.792 0.000 1.000 315 V HN 0.540 nan 8.190 nan 0.000 0.433 316 P HA 0.225 nan 4.420 nan 0.000 0.276 316 P C -0.686 176.607 177.300 -0.012 0.000 1.243 316 P CA -0.074 62.985 63.100 -0.068 0.000 0.768 316 P CB 1.026 32.695 31.700 -0.051 0.000 0.856 317 L N 3.906 125.153 121.223 0.039 0.000 2.290 317 L HA 0.393 4.734 4.340 0.002 0.000 0.284 317 L C 1.216 178.235 176.870 0.249 0.000 1.078 317 L CA -0.071 54.866 54.840 0.160 0.000 0.815 317 L CB 0.409 42.616 42.059 0.246 0.000 1.162 317 L HN 0.524 nan 8.230 nan 0.000 0.435 318 E N 2.381 122.730 120.200 0.248 0.000 2.456 318 E HA 0.422 4.773 4.350 0.002 0.000 0.276 318 E C -1.436 175.235 176.600 0.119 0.000 0.981 318 E CA -0.938 55.625 56.400 0.271 0.000 0.814 318 E CB 2.301 32.102 29.700 0.170 0.000 1.382 318 E HN 0.496 nan 8.360 nan 0.000 0.459 319 H N 0.888 119.880 119.070 -0.129 0.000 2.495 319 H HA 0.248 4.806 4.556 0.002 0.000 0.348 319 H C -1.838 173.195 175.328 -0.491 0.000 1.113 319 H CA -2.166 53.619 56.048 -0.438 0.000 1.195 319 H CB 2.157 31.534 29.762 -0.642 0.000 1.521 319 H HN 0.410 nan 8.280 nan 0.000 0.509 320 P HA -0.180 nan 4.420 nan 0.000 0.216 320 P C 1.026 178.151 177.300 -0.292 0.000 1.157 320 P CA 2.379 64.956 63.100 -0.871 0.000 0.880 320 P CB 0.342 31.537 31.700 -0.842 0.000 0.791 321 T N -3.884 110.664 114.554 -0.010 0.000 3.026 321 T HA 0.181 4.533 4.350 0.002 0.000 0.245 321 T C 1.091 175.758 174.700 -0.055 0.000 1.004 321 T CA -0.228 61.875 62.100 0.004 0.000 1.069 321 T CB -0.779 68.101 68.868 0.020 0.000 1.005 321 T HN -0.054 nan 8.240 nan 0.000 0.472 322 L N 3.907 125.030 121.223 -0.168 0.000 2.462 322 L HA 0.288 4.629 4.340 0.002 0.000 0.283 322 L C 1.931 178.433 176.870 -0.612 0.000 1.166 322 L CA -0.411 54.057 54.840 -0.620 0.000 0.964 322 L CB 0.100 41.399 42.059 -1.267 0.000 1.294 322 L HN 0.467 nan 8.230 nan 0.000 0.449 323 E N 3.986 123.999 120.200 -0.312 0.000 2.114 323 E HA -0.266 4.085 4.350 0.002 0.000 0.199 323 E C 1.559 178.103 176.600 -0.093 0.000 1.008 323 E CA 1.930 58.255 56.400 -0.125 0.000 0.810 323 E CB -0.275 29.436 29.700 0.017 0.000 0.739 323 E HN 0.828 nan 8.360 nan 0.000 0.456 324 W N 0.031 121.377 121.300 0.078 0.000 2.595 324 W HA -0.003 4.658 4.660 0.002 0.000 0.257 324 W C 1.574 178.141 176.519 0.080 0.000 1.267 324 W CA -0.064 57.318 57.345 0.061 0.000 1.300 324 W CB -1.013 28.465 29.460 0.029 0.000 1.120 324 W HN -0.022 nan 8.180 nan 0.000 0.618 325 F N 3.010 122.639 119.950 -0.534 0.000 2.154 325 F HA -0.208 4.320 4.527 0.002 0.000 0.301 325 F C 2.655 178.453 175.800 -0.003 0.000 1.087 325 F CA 3.080 60.900 58.000 -0.300 0.000 1.274 325 F CB -0.572 38.143 39.000 -0.475 0.000 1.009 325 F HN -0.070 nan 8.300 nan 0.000 0.485 326 A N 0.032 122.935 122.820 0.139 0.000 1.933 326 A HA -0.053 4.268 4.320 0.002 0.000 0.218 326 A C 2.327 179.941 177.584 0.049 0.000 1.175 326 A CA 1.428 53.528 52.037 0.106 0.000 0.628 326 A CB -1.482 17.577 19.000 0.099 0.000 0.814 326 A HN 0.442 nan 8.150 nan 0.000 0.444 327 A N -0.220 122.648 122.820 0.080 0.000 2.131 327 A HA -0.031 4.290 4.320 0.002 0.000 0.220 327 A C 1.969 179.581 177.584 0.045 0.000 1.158 327 A CA 1.318 53.403 52.037 0.079 0.000 0.665 327 A CB -0.638 18.439 19.000 0.128 0.000 0.795 327 A HN 0.523 nan 8.150 nan 0.000 0.460 328 L N -1.422 119.794 121.223 -0.011 0.000 2.201 328 L HA 0.023 4.364 4.340 0.002 0.000 0.212 328 L C 1.865 178.732 176.870 -0.006 0.000 1.105 328 L CA 0.710 55.519 54.840 -0.052 0.000 0.775 328 L CB -0.688 41.225 42.059 -0.244 0.000 0.913 328 L HN 0.586 nan 8.230 nan 0.000 0.440 329 G N 0.709 109.501 108.800 -0.014 0.000 2.176 329 G HA2 -0.268 3.693 3.960 0.002 0.000 0.252 329 G HA3 -0.268 3.693 3.960 0.002 0.000 0.252 329 G C 0.119 174.982 174.900 -0.063 0.000 1.024 329 G CA -0.108 44.991 45.100 -0.002 0.000 0.755 329 G HN 0.225 nan 8.290 nan 0.000 0.507 330 L N -0.227 120.939 121.223 -0.095 0.000 2.418 330 L HA 0.806 5.147 4.340 0.002 0.000 0.265 330 L C 1.060 177.733 176.870 -0.328 0.000 1.143 330 L CA -0.599 54.119 54.840 -0.204 0.000 0.809 330 L CB 0.979 43.028 42.059 -0.017 0.000 1.124 330 L HN 0.561 nan 8.230 nan 0.000 0.456 331 R N 1.521 121.646 120.500 -0.626 0.000 2.690 331 R HA 0.466 4.807 4.340 0.002 0.000 0.269 331 R C -2.186 174.039 176.300 -0.125 0.000 1.037 331 R CA -1.019 54.869 56.100 -0.354 0.000 0.877 331 R CB 1.570 31.624 30.300 -0.409 0.000 1.255 331 R HN 0.621 nan 8.270 nan 0.000 0.467 332 W N 2.278 123.535 121.300 -0.072 0.000 3.083 332 W HA 0.378 5.039 4.660 0.002 0.000 0.333 332 W C -1.065 175.551 176.519 0.161 0.000 1.217 332 W CA -1.064 56.332 57.345 0.085 0.000 1.170 332 W CB 2.072 31.489 29.460 -0.073 0.000 1.437 332 W HN 0.702 nan 8.180 nan 0.000 0.557 333 Y N 0.988 121.266 120.300 -0.037 0.000 2.301 333 Y HA 0.536 5.087 4.550 0.002 0.000 0.328 333 Y C 0.808 176.991 175.900 0.473 0.000 1.242 333 Y CA 0.048 58.216 58.100 0.113 0.000 1.323 333 Y CB 0.215 38.609 38.460 -0.110 0.000 1.266 333 Y HN 0.361 nan 8.280 nan 0.000 0.527 334 A N 2.330 125.469 122.820 0.531 0.000 1.970 334 A HA 0.027 4.348 4.320 0.002 0.000 0.216 334 A C 0.641 178.593 177.584 0.612 0.000 1.170 334 A CA 0.486 52.882 52.037 0.598 0.000 0.645 334 A CB -0.388 18.811 19.000 0.331 0.000 0.816 334 A HN 0.693 nan 8.150 nan 0.000 0.447 335 L N 2.063 123.605 121.223 0.531 0.000 2.259 335 L HA 0.389 4.730 4.340 0.002 0.000 0.288 335 L C -2.533 174.521 176.870 0.306 0.000 1.051 335 L CA -2.175 52.874 54.840 0.348 0.000 0.824 335 L CB 1.367 43.554 42.059 0.213 0.000 1.206 335 L HN -0.016 nan 8.230 nan 0.000 0.429 336 P HA 0.270 nan 4.420 nan 0.000 0.274 336 P C -1.235 175.981 177.300 -0.140 0.000 1.504 336 P CA -0.296 62.680 63.100 -0.206 0.000 1.011 336 P CB 1.166 32.266 31.700 -0.999 0.000 1.366 337 A N 4.807 127.558 122.820 -0.115 0.000 2.644 337 A HA 0.374 4.695 4.320 0.002 0.000 0.343 337 A C 0.138 177.499 177.584 -0.371 0.000 1.324 337 A CA -0.660 51.235 52.037 -0.237 0.000 0.846 337 A CB 0.340 19.215 19.000 -0.208 0.000 1.128 337 A HN 0.302 nan 8.150 nan 0.000 0.484 338 V N 2.592 122.131 119.914 -0.626 0.000 2.599 338 V HA 0.132 4.253 4.120 0.002 0.000 0.300 338 V C 1.284 176.973 176.094 -0.675 0.000 1.034 338 V CA 1.453 63.334 62.300 -0.698 0.000 1.115 338 V CB 0.873 32.062 31.823 -1.058 0.000 0.934 338 V HN 1.060 nan 8.190 nan 0.000 0.485 339 S N 1.490 116.992 115.700 -0.330 0.000 2.847 339 S HA 0.070 4.541 4.470 0.002 0.000 0.254 339 S C 0.753 175.319 174.600 -0.056 0.000 1.039 339 S CA 0.057 58.147 58.200 -0.183 0.000 1.113 339 S CB -0.421 62.709 63.200 -0.117 0.000 1.092 339 S HN 0.920 nan 8.310 nan 0.000 0.620 340 N N 0.379 119.051 118.700 -0.047 0.000 2.184 340 N HA 0.299 5.040 4.740 0.002 0.000 0.206 340 N C 0.223 175.771 175.510 0.062 0.000 1.151 340 N CA -0.510 52.555 53.050 0.026 0.000 0.878 340 N CB 0.113 38.622 38.487 0.037 0.000 1.014 340 N HN 0.271 nan 8.380 nan 0.000 0.512 341 M N 1.379 121.021 119.600 0.070 0.000 2.359 341 M HA 0.312 4.793 4.480 0.002 0.000 0.322 341 M C -0.550 175.871 176.300 0.201 0.000 1.166 341 M CA -0.835 54.547 55.300 0.136 0.000 1.067 341 M CB 2.338 35.027 32.600 0.148 0.000 1.523 341 M HN 0.118 nan 8.290 nan 0.000 0.467 342 L N 2.768 124.100 121.223 0.182 0.000 2.307 342 L HA 0.521 4.862 4.340 0.002 0.000 0.282 342 L C -1.324 175.662 176.870 0.193 0.000 1.051 342 L CA -0.910 54.034 54.840 0.173 0.000 0.804 342 L CB 1.081 43.196 42.059 0.093 0.000 1.197 342 L HN 0.585 nan 8.230 nan 0.000 0.431 343 L N 5.282 126.616 121.223 0.186 0.000 2.265 343 L HA 0.465 4.806 4.340 0.002 0.000 0.289 343 L C -0.547 176.351 176.870 0.047 0.000 1.033 343 L CA 0.224 55.063 54.840 -0.002 0.000 0.814 343 L CB 1.122 43.154 42.059 -0.045 0.000 1.203 343 L HN 0.639 nan 8.230 nan 0.000 0.423 344 E N 6.565 126.709 120.200 -0.093 0.000 2.158 344 E HA 0.421 4.772 4.350 0.002 0.000 0.271 344 E C -1.594 174.930 176.600 -0.127 0.000 0.911 344 E CA -0.455 55.909 56.400 -0.061 0.000 0.767 344 E CB 1.180 30.837 29.700 -0.072 0.000 1.120 344 E HN 0.725 nan 8.360 nan 0.000 0.405 345 I N 2.344 122.850 120.570 -0.107 0.000 2.478 345 I HA 0.282 4.453 4.170 0.002 0.000 0.287 345 I C 0.805 176.732 176.117 -0.318 0.000 1.042 345 I CA -0.817 60.303 61.300 -0.300 0.000 1.067 345 I CB 2.028 39.766 38.000 -0.436 0.000 1.233 345 I HN 0.769 nan 8.210 nan 0.000 0.431 346 G N 4.186 112.831 108.800 -0.258 0.000 2.379 346 G HA2 -0.107 3.854 3.960 0.002 0.000 0.297 346 G HA3 -0.107 3.854 3.960 0.002 0.000 0.297 346 G C 1.040 175.993 174.900 0.088 0.000 1.004 346 G CA 0.873 45.974 45.100 0.002 0.000 0.921 346 G HN 1.589 nan 8.290 nan 0.000 0.511 347 G N -1.913 106.893 108.800 0.009 0.000 2.268 347 G HA2 -0.252 3.709 3.960 0.002 0.000 0.240 347 G HA3 -0.252 3.709 3.960 0.002 0.000 0.240 347 G C 0.553 175.396 174.900 -0.095 0.000 1.010 347 G CA 0.436 45.539 45.100 0.005 0.000 0.618 347 G HN 1.283 nan 8.290 nan 0.000 0.516 348 L N 1.062 122.175 121.223 -0.184 0.000 2.371 348 L HA 0.552 4.893 4.340 0.002 0.000 0.272 348 L C 0.350 177.008 176.870 -0.354 0.000 1.124 348 L CA -0.263 54.355 54.840 -0.370 0.000 0.816 348 L CB 1.020 42.767 42.059 -0.521 0.000 1.129 348 L HN 0.217 nan 8.230 nan 0.000 0.448 349 E N 2.616 122.532 120.200 -0.473 0.000 2.187 349 E HA 0.400 4.751 4.350 0.002 0.000 0.268 349 E C -1.494 174.783 176.600 -0.539 0.000 0.896 349 E CA -0.464 55.735 56.400 -0.336 0.000 0.766 349 E CB 1.832 31.423 29.700 -0.181 0.000 1.142 349 E HN 0.266 nan 8.360 nan 0.000 0.408 350 F N 1.837 121.750 119.950 -0.062 0.000 2.325 350 F HA 0.104 4.632 4.527 0.002 0.000 0.369 350 F C 1.427 177.254 175.800 0.044 0.000 1.095 350 F CA -0.510 57.480 58.000 -0.017 0.000 1.082 350 F CB 1.302 40.277 39.000 -0.042 0.000 1.289 350 F HN 0.438 nan 8.300 nan 0.000 0.462 351 S N 1.410 117.200 115.700 0.151 0.000 2.474 351 S HA 0.167 4.638 4.470 0.002 0.000 0.235 351 S C 0.827 175.546 174.600 0.197 0.000 0.997 351 S CA 0.404 58.693 58.200 0.148 0.000 0.949 351 S CB 0.024 63.291 63.200 0.111 0.000 0.766 351 S HN 0.512 nan 8.310 nan 0.000 0.517 352 A N 0.537 123.518 122.820 0.268 0.000 2.545 352 A HA 0.821 5.142 4.320 0.002 0.000 0.300 352 A C -0.159 177.670 177.584 0.409 0.000 1.252 352 A CA -0.185 52.035 52.037 0.306 0.000 0.753 352 A CB 0.794 19.945 19.000 0.252 0.000 1.144 352 A HN 0.884 nan 8.150 nan 0.000 0.457 353 A N 4.084 127.088 122.820 0.307 0.000 3.409 353 A HA 0.642 4.963 4.320 0.002 0.000 0.282 353 A C -2.913 174.816 177.584 0.241 0.000 1.064 353 A CA -1.050 51.139 52.037 0.254 0.000 0.889 353 A CB 0.382 19.532 19.000 0.250 0.000 1.251 353 A HN 0.508 nan 8.150 nan 0.000 0.538 354 P HA 0.389 nan 4.420 nan 0.000 0.268 354 P C -0.765 176.561 177.300 0.043 0.000 1.204 354 P CA 0.477 63.542 63.100 -0.059 0.000 0.768 354 P CB 0.331 31.965 31.700 -0.110 0.000 0.842 355 F N -0.201 119.714 119.950 -0.057 0.000 2.629 355 F HA 0.809 5.337 4.527 0.002 0.000 0.316 355 F C -0.800 174.935 175.800 -0.109 0.000 1.081 355 F CA -1.289 56.682 58.000 -0.049 0.000 0.954 355 F CB 1.546 40.396 39.000 -0.249 0.000 1.337 355 F HN 0.450 nan 8.300 nan 0.000 0.474 356 S N -0.282 115.548 115.700 0.217 0.000 2.547 356 S HA 0.856 5.327 4.470 0.002 0.000 0.270 356 S C -0.807 173.769 174.600 -0.040 0.000 1.150 356 S CA -0.196 58.047 58.200 0.072 0.000 0.850 356 S CB 1.306 64.584 63.200 0.130 0.000 1.118 356 S HN 1.516 nan 8.310 nan 0.000 0.461 357 G N 0.174 108.892 108.800 -0.136 0.000 3.088 357 G HA2 0.745 4.707 3.960 0.002 0.000 0.197 357 G HA3 0.745 4.707 3.960 0.002 0.000 0.197 357 G C -1.239 173.688 174.900 0.045 0.000 1.611 357 G CA -0.128 44.818 45.100 -0.255 0.000 0.771 357 G HN 1.246 nan 8.290 nan 0.000 0.789 358 W N -1.703 119.601 121.300 0.007 0.000 3.137 358 W HA 0.781 5.442 4.660 0.002 0.000 0.324 358 W C -1.789 174.726 176.519 -0.007 0.000 1.253 358 W CA -2.149 55.213 57.345 0.028 0.000 1.183 358 W CB 0.372 29.890 29.460 0.096 0.000 1.424 358 W HN 0.357 nan 8.180 nan 0.000 0.566 359 Y N 2.678 123.151 120.300 0.289 0.000 2.397 359 Y HA 0.286 4.837 4.550 0.002 0.000 0.335 359 Y C 0.818 176.770 175.900 0.086 0.000 1.213 359 Y CA -0.431 57.721 58.100 0.087 0.000 1.391 359 Y CB 1.091 39.494 38.460 -0.095 0.000 1.293 359 Y HN 0.470 nan 8.280 nan 0.000 0.557 360 M N 2.435 122.187 119.600 0.255 0.000 2.180 360 M HA 0.201 4.682 4.480 0.002 0.000 0.350 360 M C 1.055 177.359 176.300 0.007 0.000 1.125 360 M CA -0.274 55.105 55.300 0.132 0.000 1.031 360 M CB 1.073 33.728 32.600 0.092 0.000 1.623 360 M HN 0.849 nan 8.290 nan 0.000 0.451 361 S N 1.542 117.202 115.700 -0.065 0.000 2.399 361 S HA -0.252 4.219 4.470 0.002 0.000 0.235 361 S C 1.542 176.005 174.600 -0.228 0.000 1.063 361 S CA 2.438 60.525 58.200 -0.189 0.000 1.070 361 S CB -1.601 61.538 63.200 -0.102 0.000 0.904 361 S HN 0.930 nan 8.310 nan 0.000 0.456 362 T N -0.292 114.149 114.554 -0.188 0.000 2.849 362 T HA -0.084 4.267 4.350 0.002 0.000 0.270 362 T C 1.621 176.164 174.700 -0.261 0.000 1.066 362 T CA 1.489 63.427 62.100 -0.270 0.000 1.130 362 T CB -0.574 68.088 68.868 -0.344 0.000 0.864 362 T HN 0.466 nan 8.240 nan 0.000 0.481 363 E N 1.004 121.076 120.200 -0.213 0.000 2.153 363 E HA 0.017 4.368 4.350 0.002 0.000 0.194 363 E C 1.847 178.192 176.600 -0.424 0.000 0.988 363 E CA 0.931 57.209 56.400 -0.202 0.000 0.811 363 E CB -0.400 29.312 29.700 0.021 0.000 0.746 363 E HN 0.705 nan 8.360 nan 0.000 0.466 364 I N -1.141 119.052 120.570 -0.629 0.000 2.368 364 I HA 0.008 4.179 4.170 0.002 0.000 0.238 364 I C 2.359 178.122 176.117 -0.589 0.000 1.076 364 I CA 0.876 61.627 61.300 -0.916 0.000 1.397 364 I CB -0.609 36.770 38.000 -1.036 0.000 1.141 364 I HN 0.190 nan 8.210 nan 0.000 0.430 365 G N 0.046 108.608 108.800 -0.396 0.000 2.448 365 G HA2 -0.160 3.801 3.960 0.002 0.000 0.219 365 G HA3 -0.160 3.801 3.960 0.002 0.000 0.219 365 G C 1.570 176.353 174.900 -0.194 0.000 1.127 365 G CA 1.501 46.459 45.100 -0.236 0.000 0.766 365 G HN 0.306 nan 8.290 nan 0.000 0.552 366 T N -0.298 114.116 114.554 -0.233 0.000 3.082 366 T HA 0.113 4.464 4.350 0.002 0.000 0.235 366 T C 2.506 177.095 174.700 -0.185 0.000 0.991 366 T CA 0.104 62.089 62.100 -0.192 0.000 1.220 366 T CB 0.086 68.824 68.868 -0.216 0.000 0.909 366 T HN -0.010 nan 8.240 nan 0.000 0.424 367 R N 2.119 122.490 120.500 -0.215 0.000 2.062 367 R HA 0.135 4.476 4.340 0.002 0.000 0.231 367 R C 2.070 178.253 176.300 -0.196 0.000 1.136 367 R CA 1.147 57.133 56.100 -0.190 0.000 0.948 367 R CB -1.087 29.108 30.300 -0.175 0.000 0.845 367 R HN 0.333 nan 8.270 nan 0.000 0.430 368 N N 0.691 119.215 118.700 -0.294 0.000 2.216 368 N HA -0.032 4.709 4.740 0.002 0.000 0.183 368 N C 1.911 177.307 175.510 -0.191 0.000 1.017 368 N CA 0.891 53.755 53.050 -0.311 0.000 0.861 368 N CB -0.080 37.902 38.487 -0.842 0.000 0.986 368 N HN 0.186 nan 8.380 nan 0.000 0.428 369 L N -0.885 120.189 121.223 -0.247 0.000 2.416 369 L HA 0.120 4.461 4.340 0.002 0.000 0.216 369 L C 1.186 178.074 176.870 0.030 0.000 1.098 369 L CA 0.333 55.128 54.840 -0.075 0.000 0.840 369 L CB 0.272 42.266 42.059 -0.108 0.000 0.981 369 L HN 0.128 nan 8.230 nan 0.000 0.462 370 C N -1.467 117.814 119.300 -0.031 0.000 3.228 370 C HA 0.188 4.649 4.460 0.002 0.000 0.290 370 C C 0.650 175.628 174.990 -0.021 0.000 1.301 370 C CA -0.853 58.162 59.018 -0.006 0.000 1.703 370 C CB -0.242 27.480 27.740 -0.030 0.000 2.141 370 C HN 0.283 nan 8.230 nan 0.000 0.656 371 D N 2.995 123.354 120.400 -0.068 0.000 2.443 371 D HA 0.060 4.701 4.640 0.002 0.000 0.239 371 D C -1.062 175.217 176.300 -0.035 0.000 1.136 371 D CA -1.361 52.580 54.000 -0.098 0.000 0.879 371 D CB 0.721 41.332 40.800 -0.314 0.000 1.195 371 D HN 0.182 nan 8.370 nan 0.000 0.443 372 P HA -0.162 nan 4.420 nan 0.000 0.217 372 P C 0.747 178.129 177.300 0.138 0.000 1.150 372 P CA 1.343 64.513 63.100 0.117 0.000 0.832 372 P CB -0.019 31.766 31.700 0.143 0.000 0.787 373 H N -1.942 117.148 119.070 0.032 0.000 2.538 373 H HA 0.337 4.894 4.556 0.002 0.000 0.286 373 H C 0.886 176.239 175.328 0.041 0.000 1.035 373 H CA -0.215 55.851 56.048 0.030 0.000 1.169 373 H CB -0.125 29.653 29.762 0.027 0.000 1.417 373 H HN -0.004 nan 8.280 nan 0.000 0.567 374 R N -0.242 120.180 120.500 -0.130 0.000 3.322 374 R HA 0.163 4.504 4.340 0.002 0.000 0.189 374 R C 0.977 177.291 176.300 0.023 0.000 1.510 374 R CA -0.789 55.285 56.100 -0.044 0.000 0.827 374 R CB -0.807 29.477 30.300 -0.026 0.000 1.856 374 R HN 0.082 nan 8.270 nan 0.000 0.497 375 Y N 1.652 121.969 120.300 0.029 0.000 2.569 375 Y HA -0.128 4.423 4.550 0.002 0.000 0.293 375 Y C 0.752 176.681 175.900 0.048 0.000 1.144 375 Y CA 1.032 59.165 58.100 0.055 0.000 1.321 375 Y CB -0.640 37.892 38.460 0.121 0.000 0.982 375 Y HN 0.537 nan 8.280 nan 0.000 0.558 376 N N 0.863 119.659 118.700 0.160 0.000 2.700 376 N HA -0.241 4.500 4.740 0.002 0.000 0.265 376 N C 0.399 175.995 175.510 0.143 0.000 0.975 376 N CA 0.804 53.925 53.050 0.118 0.000 0.800 376 N CB -1.217 37.322 38.487 0.087 0.000 0.908 376 N HN 0.658 nan 8.380 nan 0.000 0.551 377 I N -2.911 117.758 120.570 0.165 0.000 3.793 377 I HA 0.092 4.263 4.170 0.002 0.000 0.315 377 I C 1.523 177.745 176.117 0.175 0.000 1.275 377 I CA -0.367 61.033 61.300 0.167 0.000 1.214 377 I CB -0.101 38.006 38.000 0.178 0.000 1.018 377 I HN 0.191 nan 8.210 nan 0.000 0.439 378 L N 1.402 122.736 121.223 0.185 0.000 1.971 378 L HA -0.251 4.090 4.340 0.002 0.000 0.215 378 L C 2.756 179.846 176.870 0.366 0.000 1.072 378 L CA 2.372 57.361 54.840 0.248 0.000 0.758 378 L CB -0.632 41.544 42.059 0.195 0.000 0.889 378 L HN 0.443 nan 8.230 nan 0.000 0.433 379 E N -0.066 120.353 120.200 0.366 0.000 2.085 379 E HA -0.267 4.084 4.350 0.002 0.000 0.194 379 E C 1.744 178.391 176.600 0.078 0.000 0.994 379 E CA 1.650 58.173 56.400 0.205 0.000 0.801 379 E CB 0.078 29.825 29.700 0.079 0.000 0.743 379 E HN 0.424 nan 8.360 nan 0.000 0.453 380 D N -0.057 120.395 120.400 0.087 0.000 2.092 380 D HA -0.164 4.477 4.640 0.002 0.000 0.193 380 D C 2.076 178.404 176.300 0.046 0.000 0.994 380 D CA 1.439 55.463 54.000 0.039 0.000 0.828 380 D CB -0.370 40.461 40.800 0.052 0.000 0.963 380 D HN 0.127 nan 8.370 nan 0.000 0.450 381 V N 1.429 121.429 119.914 0.143 0.000 2.407 381 V HA -0.234 3.887 4.120 0.002 0.000 0.248 381 V C 2.509 178.718 176.094 0.192 0.000 1.055 381 V CA 1.753 64.200 62.300 0.245 0.000 1.049 381 V CB -0.827 31.215 31.823 0.364 0.000 0.662 381 V HN 0.186 nan 8.190 nan 0.000 0.455 382 A N -0.258 122.675 122.820 0.189 0.000 1.902 382 A HA -0.138 4.183 4.320 0.002 0.000 0.217 382 A C 2.376 179.946 177.584 -0.022 0.000 1.181 382 A CA 1.997 54.133 52.037 0.164 0.000 0.623 382 A CB -0.581 18.594 19.000 0.292 0.000 0.818 382 A HN 0.350 nan 8.150 nan 0.000 0.443 383 V N -1.067 118.788 119.914 -0.098 0.000 2.453 383 V HA -0.258 3.863 4.120 0.002 0.000 0.247 383 V C 2.526 178.471 176.094 -0.248 0.000 1.048 383 V CA 1.832 64.030 62.300 -0.170 0.000 1.049 383 V CB -0.909 30.817 31.823 -0.162 0.000 0.672 383 V HN 0.697 nan 8.190 nan 0.000 0.457 384 C N -0.398 118.700 119.300 -0.337 0.000 2.432 384 C HA -0.066 4.395 4.460 0.002 0.000 0.280 384 C C 2.545 177.013 174.990 -0.870 0.000 1.353 384 C CA 0.837 59.389 59.018 -0.775 0.000 1.766 384 C CB -1.002 26.078 27.740 -1.101 0.000 1.924 384 C HN 0.518 nan 8.230 nan 0.000 0.509 385 M N 0.049 119.455 119.600 -0.323 0.000 2.561 385 M HA 0.054 4.535 4.480 0.002 0.000 0.238 385 M C 0.383 176.649 176.300 -0.057 0.000 1.131 385 M CA 0.647 55.928 55.300 -0.032 0.000 1.046 385 M CB -0.239 32.470 32.600 0.182 0.000 1.532 385 M HN 0.210 nan 8.290 nan 0.000 0.497 386 D N 1.999 122.316 120.400 -0.140 0.000 2.746 386 D HA -0.161 4.480 4.640 0.002 0.000 0.241 386 D C -1.265 175.004 176.300 -0.052 0.000 1.140 386 D CA 0.589 54.525 54.000 -0.107 0.000 0.707 386 D CB -0.977 39.767 40.800 -0.094 0.000 1.034 386 D HN 0.306 nan 8.370 nan 0.000 0.423 387 L N 0.325 121.520 121.223 -0.048 0.000 2.334 387 L HA 0.375 4.716 4.340 0.002 0.000 0.272 387 L C 0.979 177.798 176.870 -0.085 0.000 1.020 387 L CA -1.034 53.802 54.840 -0.006 0.000 0.812 387 L CB 1.272 43.391 42.059 0.100 0.000 1.264 387 L HN -0.019 nan 8.230 nan 0.000 0.439 388 D N 1.634 122.009 120.400 -0.042 0.000 2.482 388 D HA -0.042 4.599 4.640 0.002 0.000 0.244 388 D C 0.917 177.087 176.300 -0.217 0.000 1.242 388 D CA 0.022 53.970 54.000 -0.086 0.000 1.097 388 D CB 0.535 41.332 40.800 -0.006 0.000 1.109 388 D HN 0.626 nan 8.370 nan 0.000 0.510 389 T N 0.288 114.545 114.554 -0.494 0.000 3.434 389 T HA 0.123 4.474 4.350 0.002 0.000 0.249 389 T C 1.376 175.750 174.700 -0.543 0.000 1.050 389 T CA -0.170 61.264 62.100 -1.110 0.000 0.952 389 T CB -0.020 68.028 68.868 -1.366 0.000 1.046 389 T HN 0.242 nan 8.240 nan 0.000 0.590 390 R N 0.132 120.494 120.500 -0.230 0.000 2.140 390 R HA 0.176 4.517 4.340 0.002 0.000 0.213 390 R C 0.979 177.292 176.300 0.021 0.000 1.059 390 R CA 0.571 56.617 56.100 -0.089 0.000 1.000 390 R CB 0.157 30.422 30.300 -0.060 0.000 0.910 390 R HN 0.382 nan 8.270 nan 0.000 0.455 391 T N -0.941 113.672 114.554 0.097 0.000 2.909 391 T HA 0.103 4.454 4.350 0.002 0.000 0.299 391 T C 1.122 175.994 174.700 0.287 0.000 1.073 391 T CA -0.501 61.694 62.100 0.159 0.000 0.999 391 T CB 1.844 70.771 68.868 0.099 0.000 1.098 391 T HN 0.245 nan 8.240 nan 0.000 0.477 392 T N 0.956 115.644 114.554 0.223 0.000 2.759 392 T HA -0.139 4.213 4.350 0.002 0.000 0.269 392 T C 2.053 176.811 174.700 0.097 0.000 1.042 392 T CA 1.937 64.129 62.100 0.153 0.000 1.140 392 T CB -0.832 68.076 68.868 0.066 0.000 0.864 392 T HN 0.697 nan 8.240 nan 0.000 0.455 393 S N 2.124 117.882 115.700 0.096 0.000 2.500 393 S HA -0.094 4.377 4.470 0.002 0.000 0.239 393 S C 2.121 176.772 174.600 0.084 0.000 0.989 393 S CA 0.969 59.210 58.200 0.069 0.000 0.951 393 S CB -0.891 62.342 63.200 0.056 0.000 0.759 393 S HN 0.827 nan 8.310 nan 0.000 0.523 394 S N 1.523 117.311 115.700 0.147 0.000 2.562 394 S HA 0.252 4.723 4.470 0.002 0.000 0.221 394 S C 0.958 175.643 174.600 0.142 0.000 0.975 394 S CA 0.108 58.402 58.200 0.157 0.000 0.918 394 S CB -0.916 62.413 63.200 0.216 0.000 0.772 394 S HN 0.571 nan 8.310 nan 0.000 0.531 395 L N 0.758 122.027 121.223 0.077 0.000 3.843 395 L HA -0.192 4.149 4.340 0.002 0.000 0.411 395 L C 1.755 178.618 176.870 -0.011 0.000 1.205 395 L CA 0.785 55.608 54.840 -0.029 0.000 0.945 395 L CB -2.507 39.549 42.059 -0.005 0.000 1.929 395 L HN 0.740 nan 8.230 nan 0.000 0.934 396 W N 0.223 121.536 121.300 0.022 0.000 2.342 396 W HA -0.189 4.472 4.660 0.001 0.000 0.297 396 W C 1.770 178.309 176.519 0.033 0.000 1.213 396 W CA 1.476 58.837 57.345 0.027 0.000 1.251 396 W CB -0.821 28.652 29.460 0.021 0.000 1.136 396 W HN 0.276 nan 8.180 nan 0.000 0.526 397 K N 1.046 120.959 120.400 -0.812 0.000 2.026 397 K HA -0.174 4.147 4.320 0.002 0.000 0.208 397 K C 1.527 177.963 176.600 -0.274 0.000 1.048 397 K CA 2.413 58.253 56.287 -0.744 0.000 0.929 397 K CB -0.425 31.466 32.500 -1.015 0.000 0.713 397 K HN 0.079 nan 8.250 nan 0.000 0.439 398 D N 0.635 120.904 120.400 -0.218 0.000 2.144 398 D HA -0.116 4.525 4.640 0.002 0.000 0.199 398 D C 1.663 177.946 176.300 -0.029 0.000 0.984 398 D CA 1.122 55.059 54.000 -0.105 0.000 0.834 398 D CB 0.033 40.782 40.800 -0.085 0.000 0.955 398 D HN 0.133 nan 8.370 nan 0.000 0.465 399 K N 0.447 120.854 120.400 0.012 0.000 2.062 399 K HA 0.053 4.374 4.320 0.002 0.000 0.205 399 K C 2.197 178.854 176.600 0.096 0.000 1.051 399 K CA 1.019 57.345 56.287 0.066 0.000 0.941 399 K CB -0.105 32.456 32.500 0.102 0.000 0.719 399 K HN 0.098 nan 8.250 nan 0.000 0.440 400 A N 1.589 124.486 122.820 0.127 0.000 1.930 400 A HA -0.063 4.258 4.320 0.002 0.000 0.217 400 A C 2.363 180.023 177.584 0.126 0.000 1.175 400 A CA 1.668 53.810 52.037 0.176 0.000 0.627 400 A CB -0.537 18.610 19.000 0.246 0.000 0.815 400 A HN 0.314 nan 8.150 nan 0.000 0.443 401 A N -0.450 122.402 122.820 0.054 0.000 1.902 401 A HA -0.008 4.313 4.320 0.002 0.000 0.217 401 A C 2.209 179.800 177.584 0.012 0.000 1.181 401 A CA 1.761 53.807 52.037 0.015 0.000 0.623 401 A CB -0.912 18.061 19.000 -0.045 0.000 0.818 401 A HN 0.374 nan 8.150 nan 0.000 0.443 402 V N 0.398 120.325 119.914 0.023 0.000 2.343 402 V HA -0.224 3.897 4.120 0.002 0.000 0.247 402 V C 2.567 178.684 176.094 0.039 0.000 1.051 402 V CA 2.172 64.491 62.300 0.031 0.000 1.036 402 V CB -0.707 31.144 31.823 0.046 0.000 0.654 402 V HN 0.523 nan 8.190 nan 0.000 0.451 403 E N -0.048 120.194 120.200 0.069 0.000 2.106 403 E HA -0.125 4.226 4.350 0.002 0.000 0.192 403 E C 2.138 178.736 176.600 -0.004 0.000 0.984 403 E CA 1.202 57.654 56.400 0.087 0.000 0.806 403 E CB -0.318 29.438 29.700 0.095 0.000 0.750 403 E HN 0.587 nan 8.360 nan 0.000 0.458 404 I N 1.352 121.954 120.570 0.054 0.000 2.286 404 I HA -0.284 3.887 4.170 0.002 0.000 0.248 404 I C 1.710 177.810 176.117 -0.029 0.000 1.115 404 I CA 1.090 62.434 61.300 0.072 0.000 1.392 404 I CB -0.305 37.793 38.000 0.164 0.000 1.065 404 I HN 0.043 nan 8.210 nan 0.000 0.418 405 N N 0.477 119.152 118.700 -0.042 0.000 2.188 405 N HA -0.148 4.593 4.740 0.002 0.000 0.184 405 N C 1.663 177.134 175.510 -0.065 0.000 1.018 405 N CA 0.757 53.767 53.050 -0.067 0.000 0.858 405 N CB -0.145 38.308 38.487 -0.057 0.000 0.989 405 N HN 0.146 nan 8.380 nan 0.000 0.426 406 L N 0.712 121.888 121.223 -0.079 0.000 2.056 406 L HA 0.032 4.373 4.340 0.002 0.000 0.207 406 L C 2.008 178.750 176.870 -0.213 0.000 1.078 406 L CA 1.299 56.060 54.840 -0.132 0.000 0.749 406 L CB -0.859 41.099 42.059 -0.168 0.000 0.901 406 L HN 0.149 nan 8.230 nan 0.000 0.433 407 A N -1.128 121.506 122.820 -0.309 0.000 1.883 407 A HA -0.179 4.142 4.320 0.002 0.000 0.217 407 A C 2.263 179.805 177.584 -0.070 0.000 1.186 407 A CA 2.159 53.989 52.037 -0.345 0.000 0.624 407 A CB -1.152 17.441 19.000 -0.678 0.000 0.822 407 A HN 0.292 nan 8.150 nan 0.000 0.444 408 V N 0.045 119.940 119.914 -0.032 0.000 2.255 408 V HA -0.290 3.831 4.120 0.002 0.000 0.247 408 V C 2.596 178.747 176.094 0.096 0.000 1.051 408 V CA 2.119 64.454 62.300 0.057 0.000 1.018 408 V CB -0.869 30.905 31.823 -0.082 0.000 0.641 408 V HN 0.574 nan 8.190 nan 0.000 0.445 409 L N -0.648 120.580 121.223 0.008 0.000 2.012 409 L HA -0.242 4.099 4.340 0.002 0.000 0.210 409 L C 2.605 179.510 176.870 0.058 0.000 1.073 409 L CA 2.216 57.071 54.840 0.026 0.000 0.748 409 L CB -0.822 41.239 42.059 0.005 0.000 0.891 409 L HN 0.479 nan 8.230 nan 0.000 0.431 410 H N -0.221 118.814 119.070 -0.060 0.000 2.267 410 H HA -0.159 4.398 4.556 0.002 0.000 0.297 410 H C 2.396 177.712 175.328 -0.021 0.000 1.080 410 H CA 2.105 58.104 56.048 -0.081 0.000 1.278 410 H CB -0.111 29.535 29.762 -0.194 0.000 1.365 410 H HN 0.151 nan 8.280 nan 0.000 0.489 411 S N -0.259 115.415 115.700 -0.045 0.000 2.359 411 S HA -0.183 4.288 4.470 0.002 0.000 0.223 411 S C 2.099 176.654 174.600 -0.074 0.000 1.039 411 S CA 1.508 59.666 58.200 -0.070 0.000 1.042 411 S CB -0.705 62.534 63.200 0.065 0.000 0.915 411 S HN 0.384 nan 8.310 nan 0.000 0.439 412 F N 1.593 121.490 119.950 -0.088 0.000 2.161 412 F HA -0.160 4.368 4.527 0.002 0.000 0.300 412 F C 2.784 178.532 175.800 -0.087 0.000 1.089 412 F CA 1.266 59.233 58.000 -0.055 0.000 1.282 412 F CB -0.254 38.736 39.000 -0.017 0.000 1.010 412 F HN 0.197 nan 8.300 nan 0.000 0.485 413 Q N -0.501 119.320 119.800 0.035 0.000 2.167 413 Q HA -0.175 4.167 4.340 0.002 0.000 0.202 413 Q C 2.087 178.013 176.000 -0.124 0.000 0.970 413 Q CA 0.984 56.760 55.803 -0.046 0.000 0.855 413 Q CB -0.192 28.507 28.738 -0.065 0.000 0.911 413 Q HN 0.360 nan 8.270 nan 0.000 0.438 414 L N -0.214 120.876 121.223 -0.220 0.000 2.072 414 L HA -0.001 4.340 4.340 0.002 0.000 0.205 414 L C 1.750 178.533 176.870 -0.146 0.000 1.079 414 L CA 1.667 56.374 54.840 -0.221 0.000 0.752 414 L CB -0.420 41.449 42.059 -0.316 0.000 0.906 414 L HN 0.105 nan 8.230 nan 0.000 0.436 415 A N -1.298 121.428 122.820 -0.157 0.000 2.252 415 A HA 0.008 4.329 4.320 0.002 0.000 0.207 415 A C 0.663 178.181 177.584 -0.109 0.000 1.194 415 A CA -0.002 51.947 52.037 -0.146 0.000 0.809 415 A CB -0.485 18.382 19.000 -0.222 0.000 0.814 415 A HN 0.350 nan 8.150 nan 0.000 0.482 416 K N -0.891 119.458 120.400 -0.085 0.000 3.278 416 K HA -0.137 4.184 4.320 0.002 0.000 0.270 416 K C -0.726 175.851 176.600 -0.037 0.000 0.955 416 K CA 0.754 57.007 56.287 -0.055 0.000 0.723 416 K CB -2.353 30.115 32.500 -0.053 0.000 1.382 416 K HN 0.296 nan 8.250 nan 0.000 0.461 417 V N 0.917 120.827 119.914 -0.006 0.000 2.540 417 V HA 0.205 4.326 4.120 0.002 0.000 0.302 417 V C 0.661 176.855 176.094 0.167 0.000 1.035 417 V CA -0.845 61.493 62.300 0.064 0.000 0.873 417 V CB 2.171 33.999 31.823 0.007 0.000 0.992 417 V HN 0.336 nan 8.190 nan 0.000 0.428 418 T N 6.179 120.782 114.554 0.082 0.000 2.905 418 T HA 0.384 4.735 4.350 0.002 0.000 0.299 418 T C -0.240 174.506 174.700 0.077 0.000 1.024 418 T CA 0.992 63.065 62.100 -0.046 0.000 1.151 418 T CB 0.012 68.722 68.868 -0.263 0.000 0.987 418 T HN 0.572 nan 8.240 nan 0.000 0.535 419 I N 2.111 122.665 120.570 -0.027 0.000 2.897 419 I HA 0.568 4.739 4.170 0.002 0.000 0.299 419 I C -1.700 174.438 176.117 0.035 0.000 1.527 419 I CA -0.922 60.402 61.300 0.039 0.000 0.979 419 I CB 1.884 39.847 38.000 -0.062 0.000 1.360 419 I HN 0.456 nan 8.210 nan 0.000 0.495 420 V N 4.759 124.752 119.914 0.132 0.000 2.709 420 V HA 0.483 4.604 4.120 0.002 0.000 0.308 420 V C -1.219 174.937 176.094 0.103 0.000 1.062 420 V CA -0.285 62.099 62.300 0.140 0.000 0.901 420 V CB 2.215 34.206 31.823 0.281 0.000 1.003 420 V HN 0.865 nan 8.190 nan 0.000 0.425 421 D N 4.031 124.476 120.400 0.075 0.000 2.358 421 D HA 0.189 4.830 4.640 0.002 0.000 0.244 421 D C 1.247 177.584 176.300 0.062 0.000 1.163 421 D CA 0.209 54.254 54.000 0.075 0.000 0.945 421 D CB 0.459 41.278 40.800 0.031 0.000 1.152 421 D HN 0.729 nan 8.370 nan 0.000 0.451 422 H N -0.269 118.737 119.070 -0.107 0.000 2.457 422 H HA -0.122 4.435 4.556 0.002 0.000 0.294 422 H C 1.004 176.232 175.328 -0.166 0.000 1.064 422 H CA 1.308 57.255 56.048 -0.168 0.000 1.330 422 H CB -0.585 29.018 29.762 -0.266 0.000 1.395 422 H HN 0.514 nan 8.280 nan 0.000 0.541 423 H N 1.167 120.054 119.070 -0.305 0.000 2.307 423 H HA 0.159 4.716 4.556 0.002 0.000 0.303 423 H C 2.548 177.852 175.328 -0.040 0.000 1.073 423 H CA 1.294 57.238 56.048 -0.174 0.000 1.338 423 H CB -0.373 29.252 29.762 -0.228 0.000 1.389 423 H HN 0.480 nan 8.280 nan 0.000 0.503 424 A N 1.564 124.441 122.820 0.096 0.000 1.883 424 A HA -0.168 4.153 4.320 0.002 0.000 0.217 424 A C 2.707 180.362 177.584 0.118 0.000 1.186 424 A CA 2.144 54.239 52.037 0.096 0.000 0.624 424 A CB -0.962 18.088 19.000 0.083 0.000 0.822 424 A HN 0.448 nan 8.150 nan 0.000 0.444 425 A N -0.401 122.490 122.820 0.118 0.000 1.902 425 A HA -0.123 4.198 4.320 0.002 0.000 0.217 425 A C 2.439 180.119 177.584 0.160 0.000 1.181 425 A CA 2.668 54.792 52.037 0.145 0.000 0.623 425 A CB -1.438 17.638 19.000 0.128 0.000 0.818 425 A HN 0.815 nan 8.150 nan 0.000 0.443 426 T N -2.842 111.789 114.554 0.129 0.000 2.951 426 T HA -0.033 4.318 4.350 0.002 0.000 0.268 426 T C 1.658 176.486 174.700 0.213 0.000 1.073 426 T CA 1.232 63.431 62.100 0.166 0.000 1.134 426 T CB -0.555 68.374 68.868 0.101 0.000 0.884 426 T HN 0.054 nan 8.240 nan 0.000 0.479 427 V N 1.838 121.852 119.914 0.166 0.000 2.358 427 V HA -0.152 3.969 4.120 0.002 0.000 0.246 427 V C 3.036 179.220 176.094 0.150 0.000 1.047 427 V CA 2.066 64.453 62.300 0.146 0.000 1.035 427 V CB -0.908 30.983 31.823 0.113 0.000 0.658 427 V HN 0.513 nan 8.190 nan 0.000 0.452 428 S N -0.438 115.359 115.700 0.161 0.000 2.399 428 S HA -0.163 4.308 4.470 0.002 0.000 0.231 428 S C 1.760 176.472 174.600 0.187 0.000 1.022 428 S CA 1.549 59.842 58.200 0.156 0.000 0.983 428 S CB -0.428 62.869 63.200 0.161 0.000 0.803 428 S HN 0.588 nan 8.310 nan 0.000 0.480 429 F N 2.228 122.238 119.950 0.101 0.000 2.186 429 F HA -0.069 4.459 4.527 0.002 0.000 0.299 429 F C 2.078 177.967 175.800 0.147 0.000 1.090 429 F CA 1.124 59.197 58.000 0.122 0.000 1.307 429 F CB -0.284 38.768 39.000 0.088 0.000 1.019 429 F HN 0.085 nan 8.300 nan 0.000 0.489 430 M N 0.214 119.905 119.600 0.152 0.000 2.080 430 M HA -0.208 4.274 4.480 0.002 0.000 0.260 430 M C 2.233 178.522 176.300 -0.019 0.000 1.068 430 M CA 1.658 56.997 55.300 0.065 0.000 1.109 430 M CB -1.320 31.355 32.600 0.125 0.000 1.342 430 M HN 0.078 nan 8.290 nan 0.000 0.405 431 K N -0.333 120.080 120.400 0.022 0.000 2.057 431 K HA -0.212 4.109 4.320 0.002 0.000 0.207 431 K C 1.977 178.562 176.600 -0.026 0.000 1.049 431 K CA 1.795 58.088 56.287 0.010 0.000 0.931 431 K CB -0.634 31.893 32.500 0.044 0.000 0.714 431 K HN 0.402 nan 8.250 nan 0.000 0.440 432 H N -0.031 118.948 119.070 -0.150 0.000 2.387 432 H HA 0.007 4.564 4.556 0.002 0.000 0.299 432 H C 1.678 176.845 175.328 -0.268 0.000 1.090 432 H CA 2.019 57.949 56.048 -0.197 0.000 1.332 432 H CB -0.133 29.470 29.762 -0.265 0.000 1.386 432 H HN 0.183 nan 8.280 nan 0.000 0.516 433 L N -0.288 120.667 121.223 -0.447 0.000 2.046 433 L HA -0.173 4.168 4.340 0.002 0.000 0.208 433 L C 2.250 178.971 176.870 -0.248 0.000 1.077 433 L CA 1.946 56.546 54.840 -0.401 0.000 0.747 433 L CB -0.419 41.478 42.059 -0.269 0.000 0.896 433 L HN 0.417 nan 8.230 nan 0.000 0.432 434 D N -0.316 119.986 120.400 -0.165 0.000 2.097 434 D HA -0.179 4.462 4.640 0.002 0.000 0.197 434 D C 1.920 178.154 176.300 -0.110 0.000 0.984 434 D CA 1.043 54.982 54.000 -0.102 0.000 0.826 434 D CB 0.163 40.930 40.800 -0.055 0.000 0.973 434 D HN 0.173 nan 8.370 nan 0.000 0.460 435 N N 0.523 119.148 118.700 -0.126 0.000 2.166 435 N HA -0.133 4.608 4.740 0.002 0.000 0.186 435 N C 1.506 176.940 175.510 -0.127 0.000 1.019 435 N CA 0.759 53.755 53.050 -0.091 0.000 0.856 435 N CB -0.199 38.265 38.487 -0.039 0.000 0.993 435 N HN 0.337 nan 8.380 nan 0.000 0.426 436 E N 0.627 120.671 120.200 -0.261 0.000 2.158 436 E HA -0.111 4.240 4.350 0.002 0.000 0.191 436 E C 1.860 178.373 176.600 -0.146 0.000 0.982 436 E CA 0.449 56.695 56.400 -0.257 0.000 0.823 436 E CB -0.048 29.384 29.700 -0.448 0.000 0.766 436 E HN 0.318 nan 8.360 nan 0.000 0.468 437 Q N 1.401 121.126 119.800 -0.125 0.000 2.119 437 Q HA -0.092 4.249 4.340 0.002 0.000 0.201 437 Q C 1.698 177.668 176.000 -0.050 0.000 0.972 437 Q CA 1.584 57.347 55.803 -0.068 0.000 0.847 437 Q CB 0.115 28.820 28.738 -0.054 0.000 0.903 437 Q HN 0.115 nan 8.270 nan 0.000 0.433 438 K N -0.915 119.454 120.400 -0.052 0.000 2.137 438 K HA 0.113 4.434 4.320 0.002 0.000 0.202 438 K C 2.018 178.599 176.600 -0.031 0.000 1.052 438 K CA 0.834 57.099 56.287 -0.036 0.000 0.961 438 K CB -0.070 32.412 32.500 -0.030 0.000 0.741 438 K HN 0.195 nan 8.250 nan 0.000 0.452 439 A N 1.468 124.268 122.820 -0.033 0.000 1.929 439 A HA -0.059 4.262 4.320 0.002 0.000 0.216 439 A C 1.774 179.345 177.584 -0.022 0.000 1.176 439 A CA 1.142 53.170 52.037 -0.015 0.000 0.628 439 A CB -0.010 18.994 19.000 0.007 0.000 0.816 439 A HN 0.164 nan 8.150 nan 0.000 0.444 440 R N -2.606 117.870 120.500 -0.040 0.000 2.541 440 R HA 0.254 4.595 4.340 0.002 0.000 0.332 440 R C 0.729 177.014 176.300 -0.024 0.000 0.951 440 R CA 0.448 56.529 56.100 -0.030 0.000 1.136 440 R CB 0.639 30.916 30.300 -0.038 0.000 1.449 440 R HN 0.661 nan 8.270 nan 0.000 0.531 441 G N 1.108 109.889 108.800 -0.032 0.000 2.225 441 G HA2 -0.171 3.790 3.960 0.002 0.000 0.264 441 G HA3 -0.171 3.790 3.960 0.002 0.000 0.264 441 G C 0.189 175.091 174.900 0.003 0.000 1.060 441 G CA 0.223 45.306 45.100 -0.027 0.000 0.833 441 G HN 0.712 nan 8.290 nan 0.000 0.498 442 G N -2.508 106.297 108.800 0.009 0.000 2.352 442 G HA2 0.545 4.506 3.960 0.002 0.000 0.302 442 G HA3 0.545 4.506 3.960 0.002 0.000 0.302 442 G C -0.778 174.154 174.900 0.054 0.000 1.370 442 G CA 0.345 45.485 45.100 0.066 0.000 0.918 442 G HN 2.007 nan 8.290 nan 0.000 0.610 443 C N 2.114 121.479 119.300 0.108 0.000 2.817 443 C HA 0.710 5.171 4.460 0.002 0.000 0.385 443 C C -2.574 172.409 174.990 -0.011 0.000 1.050 443 C CA -1.073 57.952 59.018 0.012 0.000 1.245 443 C CB 1.340 29.019 27.740 -0.102 0.000 1.706 443 C HN 0.739 nan 8.230 nan 0.000 0.488 444 P HA 0.439 nan 4.420 nan 0.000 0.271 444 P C -0.673 176.515 177.300 -0.188 0.000 1.220 444 P CA 0.502 63.188 63.100 -0.691 0.000 0.768 444 P CB 1.264 32.190 31.700 -1.290 0.000 0.848 445 A N 2.541 125.331 122.820 -0.050 0.000 2.549 445 A HA 0.478 4.799 4.320 0.002 0.000 0.297 445 A C -1.272 176.369 177.584 0.095 0.000 1.061 445 A CA -0.523 51.574 52.037 0.101 0.000 0.690 445 A CB 1.455 20.629 19.000 0.290 0.000 1.287 445 A HN 0.450 nan 8.150 nan 0.000 0.402 446 D N 1.455 121.907 120.400 0.086 0.000 2.472 446 D HA 0.170 4.811 4.640 0.002 0.000 0.234 446 D C 0.710 177.151 176.300 0.234 0.000 1.088 446 D CA -0.557 53.528 54.000 0.142 0.000 0.882 446 D CB 0.394 41.225 40.800 0.051 0.000 1.037 446 D HN 0.576 nan 8.370 nan 0.000 0.520 447 W N 4.130 125.466 121.300 0.060 0.000 2.308 447 W HA -0.288 4.373 4.660 0.002 0.000 0.301 447 W C 1.788 178.328 176.519 0.035 0.000 1.220 447 W CA 2.103 59.464 57.345 0.025 0.000 1.240 447 W CB 0.180 29.631 29.460 -0.015 0.000 1.142 447 W HN 0.566 nan 8.180 nan 0.000 0.521 448 A N -1.770 121.337 122.820 0.477 0.000 2.121 448 A HA -0.117 4.204 4.320 0.002 0.000 0.218 448 A C 1.230 178.866 177.584 0.086 0.000 1.154 448 A CA 1.297 53.530 52.037 0.326 0.000 0.679 448 A CB -0.977 18.240 19.000 0.362 0.000 0.795 448 A HN 0.520 nan 8.150 nan 0.000 0.458 449 W N -1.340 119.926 121.300 -0.057 0.000 2.915 449 W HA 0.268 4.929 4.660 0.002 0.000 0.276 449 W C 1.651 178.048 176.519 -0.202 0.000 1.215 449 W CA -0.276 57.011 57.345 -0.097 0.000 1.514 449 W CB 0.124 29.557 29.460 -0.046 0.000 1.017 449 W HN 0.101 nan 8.180 nan 0.000 0.598 450 I N -0.034 120.477 120.570 -0.098 0.000 2.406 450 I HA -0.045 4.126 4.170 0.002 0.000 0.249 450 I C 0.670 176.568 176.117 -0.364 0.000 1.122 450 I CA 0.804 61.905 61.300 -0.332 0.000 1.431 450 I CB -1.405 36.303 38.000 -0.487 0.000 1.087 450 I HN -0.414 nan 8.210 nan 0.000 0.424 451 V N 3.902 123.527 119.914 -0.483 0.000 2.508 451 V HA 0.109 4.230 4.120 0.002 0.000 0.281 451 V C -1.873 174.039 176.094 -0.305 0.000 1.041 451 V CA -1.128 60.884 62.300 -0.480 0.000 1.016 451 V CB 0.263 31.580 31.823 -0.844 0.000 0.984 451 V HN 0.119 nan 8.190 nan 0.000 0.478 452 P HA 0.102 nan 4.420 nan 0.000 0.269 452 P C -1.850 175.320 177.300 -0.217 0.000 1.217 452 P CA -1.003 61.974 63.100 -0.206 0.000 0.783 452 P CB 0.019 31.610 31.700 -0.181 0.000 0.898 453 P HA 0.037 nan 4.420 nan 0.000 0.242 453 P C 0.032 177.220 177.300 -0.187 0.000 1.197 453 P CA 0.963 63.939 63.100 -0.207 0.000 0.765 453 P CB -0.046 31.524 31.700 -0.217 0.000 0.936 454 I N -6.831 113.604 120.570 -0.225 0.000 2.894 454 I HA 0.443 4.614 4.170 0.002 0.000 0.302 454 I C -0.265 175.769 176.117 -0.139 0.000 1.188 454 I CA -1.223 59.966 61.300 -0.185 0.000 1.014 454 I CB 1.995 39.858 38.000 -0.229 0.000 1.242 454 I HN -0.405 nan 8.210 nan 0.000 0.430 455 S N 2.199 117.863 115.700 -0.060 0.000 3.581 455 S HA -0.188 4.283 4.470 0.002 0.000 0.354 455 S C 1.344 175.932 174.600 -0.020 0.000 1.059 455 S CA 0.815 59.016 58.200 0.001 0.000 1.060 455 S CB -1.692 61.581 63.200 0.121 0.000 0.908 455 S HN 1.295 nan 8.310 nan 0.000 0.475 456 G N 2.382 111.149 108.800 -0.055 0.000 2.586 456 G HA2 -0.321 3.640 3.960 0.002 0.000 0.218 456 G HA3 -0.321 3.640 3.960 0.002 0.000 0.218 456 G C 1.484 176.294 174.900 -0.149 0.000 1.216 456 G CA 1.568 46.654 45.100 -0.023 0.000 0.786 456 G HN 1.286 nan 8.290 nan 0.000 0.583 457 S N -0.076 115.264 115.700 -0.599 0.000 2.515 457 S HA 0.107 4.578 4.470 0.002 0.000 0.231 457 S C 2.005 176.497 174.600 -0.181 0.000 0.987 457 S CA 0.660 58.278 58.200 -0.971 0.000 0.936 457 S CB -0.062 62.445 63.200 -1.156 0.000 0.766 457 S HN 0.056 nan 8.310 nan 0.000 0.528 458 L N 2.560 123.753 121.223 -0.050 0.000 2.551 458 L HA 0.213 4.554 4.340 0.002 0.000 0.228 458 L C 1.340 178.324 176.870 0.191 0.000 1.153 458 L CA 0.789 55.690 54.840 0.101 0.000 0.851 458 L CB -1.171 40.977 42.059 0.149 0.000 0.959 458 L HN 0.638 nan 8.230 nan 0.000 0.451 459 T N -4.820 109.831 114.554 0.162 0.000 2.918 459 T HA 0.383 4.734 4.350 0.002 0.000 0.286 459 T C -1.708 173.148 174.700 0.260 0.000 1.026 459 T CA -1.908 60.310 62.100 0.197 0.000 1.031 459 T CB 2.008 70.942 68.868 0.110 0.000 1.046 459 T HN -0.167 nan 8.240 nan 0.000 0.479 460 P HA -0.097 nan 4.420 nan 0.000 0.218 460 P C 1.764 179.256 177.300 0.320 0.000 1.149 460 P CA 1.109 64.403 63.100 0.323 0.000 0.817 460 P CB -0.327 31.511 31.700 0.229 0.000 0.785 461 V N -3.904 116.142 119.914 0.221 0.000 2.759 461 V HA -0.165 3.956 4.120 0.002 0.000 0.256 461 V C 2.412 178.574 176.094 0.114 0.000 1.080 461 V CA 1.042 63.443 62.300 0.168 0.000 1.101 461 V CB -2.211 29.637 31.823 0.040 0.000 0.698 461 V HN -0.107 nan 8.190 nan 0.000 0.477 462 F N 1.761 121.660 119.950 -0.084 0.000 2.126 462 F HA -0.164 4.364 4.527 0.001 0.000 0.299 462 F C 2.463 178.373 175.800 0.183 0.000 1.096 462 F CA 2.158 60.105 58.000 -0.090 0.000 1.255 462 F CB -0.205 38.608 39.000 -0.311 0.000 0.997 462 F HN 0.260 nan 8.300 nan 0.000 0.479 463 H N -0.758 118.680 119.070 0.614 0.000 2.533 463 H HA 0.103 4.660 4.556 0.002 0.000 0.271 463 H C 0.132 175.722 175.328 0.437 0.000 1.000 463 H CA 0.215 56.578 56.048 0.524 0.000 1.149 463 H CB -0.252 29.776 29.762 0.443 0.000 1.375 463 H HN 0.271 nan 8.280 nan 0.000 0.582 464 Q N 1.917 122.000 119.800 0.472 0.000 2.347 464 Q HA 0.174 4.515 4.340 0.002 0.000 0.262 464 Q C -0.581 175.654 176.000 0.391 0.000 0.980 464 Q CA -0.482 55.551 55.803 0.382 0.000 0.867 464 Q CB 0.906 29.835 28.738 0.320 0.000 1.242 464 Q HN 0.238 nan 8.270 nan 0.000 0.453 465 E N 3.392 123.774 120.200 0.303 0.000 2.404 465 E HA 0.303 4.654 4.350 0.002 0.000 0.261 465 E C -0.435 176.300 176.600 0.226 0.000 1.074 465 E CA 0.254 56.786 56.400 0.220 0.000 0.917 465 E CB 0.824 30.633 29.700 0.182 0.000 0.965 465 E HN 0.598 nan 8.360 nan 0.000 0.433 466 M N 1.014 120.738 119.600 0.207 0.000 2.531 466 M HA 0.377 4.858 4.480 0.002 0.000 0.286 466 M C -1.209 175.199 176.300 0.181 0.000 1.232 466 M CA -1.018 54.416 55.300 0.223 0.000 0.877 466 M CB 2.322 35.103 32.600 0.303 0.000 1.726 466 M HN 0.137 nan 8.290 nan 0.000 0.463 467 V N 1.796 121.835 119.914 0.208 0.000 2.435 467 V HA 0.489 4.610 4.120 0.002 0.000 0.290 467 V C -0.690 175.560 176.094 0.260 0.000 1.030 467 V CA -0.651 61.802 62.300 0.255 0.000 0.881 467 V CB 1.687 33.713 31.823 0.339 0.000 0.983 467 V HN 0.823 nan 8.190 nan 0.000 0.445 468 N N 3.774 122.614 118.700 0.234 0.000 2.372 468 N HA 0.654 5.395 4.740 0.002 0.000 0.285 468 N C -1.235 174.406 175.510 0.218 0.000 1.008 468 N CA -0.466 52.645 53.050 0.101 0.000 0.880 468 N CB 1.410 39.941 38.487 0.073 0.000 1.239 468 N HN 0.667 nan 8.380 nan 0.000 0.484 469 Y N 0.322 120.643 120.300 0.036 0.000 2.656 469 Y HA 0.580 5.131 4.550 0.002 0.000 0.334 469 Y C -1.088 174.819 175.900 0.012 0.000 1.179 469 Y CA -1.282 56.833 58.100 0.024 0.000 1.050 469 Y CB 0.881 39.358 38.460 0.028 0.000 1.308 469 Y HN 0.192 nan 8.280 nan 0.000 0.456 470 I N 3.433 124.101 120.570 0.163 0.000 2.321 470 I HA 0.403 4.574 4.170 0.002 0.000 0.291 470 I C -0.689 175.494 176.117 0.110 0.000 0.998 470 I CA -0.432 60.907 61.300 0.065 0.000 1.227 470 I CB 1.013 39.039 38.000 0.044 0.000 1.368 470 I HN 0.421 nan 8.210 nan 0.000 0.466 471 L N 4.805 126.059 121.223 0.053 0.000 2.330 471 L HA 0.583 4.924 4.340 0.002 0.000 0.271 471 L C -0.001 176.873 176.870 0.007 0.000 1.013 471 L CA -0.541 54.337 54.840 0.064 0.000 0.816 471 L CB 2.080 44.173 42.059 0.057 0.000 1.287 471 L HN 0.518 nan 8.230 nan 0.000 0.435 472 S N 1.212 116.925 115.700 0.021 0.000 2.513 472 S HA 0.609 5.080 4.470 0.002 0.000 0.299 472 S C -2.555 172.065 174.600 0.032 0.000 1.087 472 S CA -1.394 56.806 58.200 0.000 0.000 1.012 472 S CB 1.862 65.076 63.200 0.022 0.000 1.044 472 S HN 0.238 nan 8.310 nan 0.000 0.485 473 P HA 0.320 nan 4.420 nan 0.000 0.267 473 P C -1.310 175.881 177.300 -0.182 0.000 1.195 473 P CA 0.161 63.186 63.100 -0.126 0.000 0.773 473 P CB 0.417 32.011 31.700 -0.178 0.000 0.837 474 A N 1.631 124.299 122.820 -0.253 0.000 2.612 474 A HA 0.669 4.990 4.320 0.002 0.000 0.293 474 A C -1.651 175.730 177.584 -0.338 0.000 1.075 474 A CA -0.499 51.394 52.037 -0.240 0.000 0.680 474 A CB 0.823 19.753 19.000 -0.115 0.000 1.279 474 A HN 0.339 nan 8.150 nan 0.000 0.411 475 F N 1.329 121.203 119.950 -0.128 0.000 2.415 475 F HA 0.638 5.166 4.527 0.002 0.000 0.348 475 F C 1.015 176.704 175.800 -0.184 0.000 1.119 475 F CA 0.013 57.932 58.000 -0.135 0.000 1.069 475 F CB 1.705 40.596 39.000 -0.182 0.000 1.124 475 F HN 0.536 nan 8.300 nan 0.000 0.472 476 R N 1.953 122.470 120.500 0.028 0.000 2.888 476 R HA 0.462 4.803 4.340 0.002 0.000 0.266 476 R C -1.559 174.694 176.300 -0.078 0.000 1.020 476 R CA -1.278 54.773 56.100 -0.081 0.000 0.963 476 R CB 1.821 32.114 30.300 -0.013 0.000 1.197 476 R HN 0.430 nan 8.270 nan 0.000 0.481 477 Y N 1.178 121.494 120.300 0.026 0.000 2.307 477 Y HA 0.174 4.725 4.550 0.002 0.000 0.324 477 Y C 0.712 176.605 175.900 -0.010 0.000 1.238 477 Y CA -0.083 58.022 58.100 0.007 0.000 1.280 477 Y CB 1.024 39.475 38.460 -0.015 0.000 1.248 477 Y HN 0.434 nan 8.280 nan 0.000 0.508 478 Q N 1.491 121.379 119.800 0.146 0.000 2.544 478 Q HA 0.651 4.992 4.340 0.002 0.000 0.291 478 Q C -3.112 172.859 176.000 -0.048 0.000 1.068 478 Q CA -2.541 53.283 55.803 0.035 0.000 0.785 478 Q CB 2.031 30.780 28.738 0.019 0.000 1.481 478 Q HN 0.269 nan 8.270 nan 0.000 0.430 479 P HA 0.094 nan 4.420 nan 0.000 0.269 479 P C -1.044 176.056 177.300 -0.334 0.000 1.209 479 P CA -0.006 62.974 63.100 -0.201 0.000 0.776 479 P CB 0.356 31.950 31.700 -0.176 0.000 0.876 480 D N 3.649 123.728 120.400 -0.536 0.000 2.425 480 D HA 0.012 4.653 4.640 0.002 0.000 0.247 480 D C -1.050 174.676 176.300 -0.957 0.000 1.147 480 D CA -1.194 52.226 54.000 -0.967 0.000 0.879 480 D CB 0.288 40.135 40.800 -1.588 0.000 1.179 480 D HN 0.298 nan 8.370 nan 0.000 0.456 481 P HA -0.052 nan 4.420 nan 0.000 0.236 481 P C -0.284 176.689 177.300 -0.545 0.000 1.172 481 P CA 0.535 63.270 63.100 -0.608 0.000 0.759 481 P CB -0.143 31.227 31.700 -0.551 0.000 0.843 482 W N 0.000 120.945 121.300 -0.592 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.109 57.345 -0.393 0.000 1.226 482 W CB 0.000 29.141 29.460 -0.532 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535