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 5nse_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 0.000 176.412 176.600 -0.314 0.000 0.988 69 K CA 0.000 56.113 56.287 -0.289 0.000 0.838 69 K CB 0.000 32.221 32.500 -0.465 0.000 1.064 70 F N 5.196 125.148 119.950 0.003 0.000 2.438 70 F HA 0.390 4.918 4.527 0.002 0.000 0.360 70 F C -2.086 173.770 175.800 0.094 0.000 1.118 70 F CA -2.113 55.904 58.000 0.029 0.000 1.164 70 F CB 0.404 39.419 39.000 0.024 0.000 1.131 70 F HN -0.104 nan 8.300 nan 0.000 0.527 71 P HA 0.077 nan 4.420 nan 0.000 0.267 71 P C -0.346 177.059 177.300 0.174 0.000 1.205 71 P CA -0.342 62.856 63.100 0.164 0.000 0.765 71 P CB 0.518 32.281 31.700 0.105 0.000 0.828 72 R N 3.352 123.921 120.500 0.115 0.000 2.210 72 R HA 0.322 4.663 4.340 0.002 0.000 0.338 72 R C -1.045 175.177 176.300 -0.129 0.000 1.062 72 R CA -0.440 55.599 56.100 -0.101 0.000 0.902 72 R CB 0.217 30.526 30.300 0.015 0.000 1.050 72 R HN 0.242 nan 8.270 nan 0.000 0.461 73 V N 5.100 124.891 119.914 -0.204 0.000 2.427 73 V HA 0.344 4.465 4.120 0.002 0.000 0.286 73 V C -0.011 175.984 176.094 -0.164 0.000 1.034 73 V CA -0.580 61.658 62.300 -0.103 0.000 0.893 73 V CB 1.487 33.289 31.823 -0.036 0.000 0.982 73 V HN 0.682 nan 8.190 nan 0.000 0.452 74 K N 3.626 123.951 120.400 -0.126 0.000 2.316 74 K HA 0.404 4.725 4.320 0.002 0.000 0.251 74 K C -0.776 175.696 176.600 -0.213 0.000 0.934 74 K CA -0.730 55.395 56.287 -0.270 0.000 0.802 74 K CB 1.572 33.759 32.500 -0.521 0.000 1.171 74 K HN 0.721 nan 8.250 nan 0.000 0.426 75 N N 3.893 122.462 118.700 -0.218 0.000 2.437 75 N HA 0.101 4.842 4.740 0.002 0.000 0.259 75 N C -0.216 175.223 175.510 -0.118 0.000 0.983 75 N CA -0.326 52.704 53.050 -0.032 0.000 0.937 75 N CB 0.507 39.009 38.487 0.025 0.000 1.122 75 N HN 0.661 nan 8.380 nan 0.000 0.499 76 W N 2.080 123.468 121.300 0.147 0.000 2.678 76 W HA 0.090 4.751 4.660 0.002 0.000 0.256 76 W C 2.079 178.658 176.519 0.100 0.000 1.280 76 W CA -0.034 57.392 57.345 0.136 0.000 1.345 76 W CB 0.276 29.847 29.460 0.186 0.000 1.118 76 W HN 0.665 nan 8.180 nan 0.000 0.629 77 E N 0.485 120.835 120.200 0.249 0.000 2.122 77 E HA -0.097 4.254 4.350 0.002 0.000 0.190 77 E C 1.703 178.334 176.600 0.051 0.000 0.977 77 E CA 0.966 57.416 56.400 0.084 0.000 0.820 77 E CB -0.172 29.541 29.700 0.021 0.000 0.770 77 E HN 0.271 nan 8.360 nan 0.000 0.462 78 L N -0.944 120.305 121.223 0.044 0.000 2.556 78 L HA 0.346 4.687 4.340 0.002 0.000 0.226 78 L C 1.580 178.433 176.870 -0.029 0.000 1.089 78 L CA 0.391 55.236 54.840 0.008 0.000 0.864 78 L CB 0.489 42.553 42.059 0.009 0.000 1.067 78 L HN 0.391 nan 8.230 nan 0.000 0.477 79 G N 0.752 109.510 108.800 -0.070 0.000 2.162 79 G HA2 -0.316 3.645 3.960 0.002 0.000 0.260 79 G HA3 -0.316 3.645 3.960 0.002 0.000 0.260 79 G C 0.417 175.220 174.900 -0.162 0.000 0.976 79 G CA 0.474 45.488 45.100 -0.143 0.000 0.655 79 G HN 0.471 nan 8.290 nan 0.000 0.533 80 S N -0.603 115.021 115.700 -0.128 0.000 2.603 80 S HA 0.759 5.230 4.470 0.002 0.000 0.268 80 S C 0.117 174.615 174.600 -0.170 0.000 1.317 80 S CA -0.404 57.725 58.200 -0.117 0.000 1.012 80 S CB 2.149 65.306 63.200 -0.072 0.000 0.926 80 S HN 0.601 nan 8.310 nan 0.000 0.539 81 I N 1.269 121.740 120.570 -0.165 0.000 2.647 81 I HA 0.537 4.708 4.170 0.002 0.000 0.295 81 I C -0.219 175.746 176.117 -0.254 0.000 1.078 81 I CA -0.447 60.708 61.300 -0.243 0.000 1.048 81 I CB 2.667 40.509 38.000 -0.264 0.000 1.239 81 I HN 0.995 nan 8.210 nan 0.000 0.421 82 T N 0.969 115.314 114.554 -0.349 0.000 2.883 82 T HA 0.619 4.970 4.350 0.002 0.000 0.301 82 T C -1.352 173.068 174.700 -0.467 0.000 1.158 82 T CA -0.788 61.146 62.100 -0.277 0.000 1.007 82 T CB 1.539 70.340 68.868 -0.113 0.000 1.186 82 T HN 0.270 nan 8.240 nan 0.000 0.499 83 Y N 0.450 120.738 120.300 -0.019 0.000 2.341 83 Y HA 0.449 5.000 4.550 0.002 0.000 0.338 83 Y C 0.159 176.057 175.900 -0.003 0.000 0.965 83 Y CA -1.000 57.097 58.100 -0.005 0.000 1.108 83 Y CB 1.576 40.015 38.460 -0.035 0.000 1.180 83 Y HN 0.694 nan 8.280 nan 0.000 0.458 84 D N 2.439 122.934 120.400 0.160 0.000 2.393 84 D HA 0.045 4.686 4.640 0.002 0.000 0.232 84 D C 0.787 177.190 176.300 0.171 0.000 1.192 84 D CA 0.213 54.291 54.000 0.130 0.000 0.882 84 D CB 1.052 41.929 40.800 0.129 0.000 1.038 84 D HN 0.806 nan 8.370 nan 0.000 0.499 85 T N 0.954 115.547 114.554 0.066 0.000 3.044 85 T HA -0.047 4.304 4.350 0.002 0.000 0.250 85 T C 1.764 176.524 174.700 0.100 0.000 1.081 85 T CA -0.237 61.872 62.100 0.015 0.000 1.040 85 T CB 0.139 68.819 68.868 -0.315 0.000 0.962 85 T HN 0.247 nan 8.240 nan 0.000 0.506 86 L N 2.171 123.424 121.223 0.050 0.000 2.291 86 L HA 0.157 4.498 4.340 0.002 0.000 0.214 86 L C 2.523 179.333 176.870 -0.100 0.000 1.120 86 L CA 0.862 55.731 54.840 0.049 0.000 0.799 86 L CB -0.771 41.372 42.059 0.141 0.000 0.925 86 L HN 0.654 nan 8.230 nan 0.000 0.446 87 C N -1.692 117.362 119.300 -0.410 0.000 2.449 87 C HA 0.177 4.638 4.460 0.002 0.000 0.283 87 C C 2.661 177.447 174.990 -0.340 0.000 1.453 87 C CA 0.116 58.588 59.018 -0.910 0.000 1.779 87 C CB -2.075 25.059 27.740 -1.011 0.000 1.779 87 C HN 0.543 nan 8.230 nan 0.000 0.546 88 A N 0.317 123.079 122.820 -0.096 0.000 2.168 88 A HA -0.001 4.320 4.320 0.002 0.000 0.215 88 A C 2.184 179.767 177.584 -0.002 0.000 1.152 88 A CA 1.033 53.056 52.037 -0.025 0.000 0.716 88 A CB -0.331 18.767 19.000 0.163 0.000 0.794 88 A HN 0.720 nan 8.150 nan 0.000 0.465 89 Q N -0.068 119.736 119.800 0.007 0.000 2.360 89 Q HA 0.115 4.456 4.340 0.002 0.000 0.202 89 Q C 0.504 176.537 176.000 0.055 0.000 0.915 89 Q CA 0.226 56.056 55.803 0.045 0.000 0.943 89 Q CB -0.353 28.428 28.738 0.072 0.000 1.064 89 Q HN 0.443 nan 8.270 nan 0.000 0.511 90 S N 1.471 117.189 115.700 0.031 0.000 2.455 90 S HA 0.084 4.555 4.470 0.002 0.000 0.278 90 S C 0.821 175.445 174.600 0.040 0.000 1.216 90 S CA -0.202 58.043 58.200 0.075 0.000 1.055 90 S CB 0.480 63.738 63.200 0.097 0.000 0.939 90 S HN 0.074 nan 8.310 nan 0.000 0.494 91 Q N 2.567 122.396 119.800 0.049 0.000 2.378 91 Q HA 0.180 4.521 4.340 0.002 0.000 0.216 91 Q C 0.280 176.297 176.000 0.029 0.000 0.892 91 Q CA 0.276 56.099 55.803 0.032 0.000 0.931 91 Q CB 0.054 28.814 28.738 0.036 0.000 1.086 91 Q HN 0.763 nan 8.270 nan 0.000 0.528 92 Q N 1.640 121.462 119.800 0.037 0.000 2.243 92 Q HA 0.178 4.519 4.340 0.002 0.000 0.252 92 Q C -1.114 174.906 176.000 0.033 0.000 0.909 92 Q CA -0.157 55.663 55.803 0.028 0.000 0.922 92 Q CB 0.977 29.728 28.738 0.022 0.000 1.215 92 Q HN -0.118 nan 8.270 nan 0.000 0.427 93 D N 2.053 122.467 120.400 0.024 0.000 2.304 93 D HA 0.431 5.072 4.640 0.002 0.000 0.247 93 D C -0.028 176.289 176.300 0.028 0.000 1.089 93 D CA 0.104 54.119 54.000 0.025 0.000 0.910 93 D CB 1.251 42.061 40.800 0.016 0.000 1.199 93 D HN 0.683 nan 8.370 nan 0.000 0.426 94 G N 0.333 109.153 108.800 0.034 0.000 2.557 94 G HA2 0.386 4.347 3.960 0.002 0.000 0.302 94 G HA3 0.386 4.347 3.960 0.002 0.000 0.302 94 G C -1.577 173.340 174.900 0.030 0.000 1.311 94 G CA -0.801 44.321 45.100 0.036 0.000 1.030 94 G HN 0.308 nan 8.290 nan 0.000 0.509 95 P HA 0.095 nan 4.420 nan 0.000 0.231 95 P C 0.393 177.709 177.300 0.026 0.000 1.168 95 P CA 0.041 63.159 63.100 0.029 0.000 0.779 95 P CB 0.110 31.831 31.700 0.035 0.000 0.844 96 C N 1.214 120.531 119.300 0.029 0.000 2.605 96 C HA 0.502 4.963 4.460 0.002 0.000 0.404 96 C C 1.210 176.210 174.990 0.017 0.000 1.284 96 C CA 0.112 59.145 59.018 0.024 0.000 2.199 96 C CB 0.412 28.169 27.740 0.029 0.000 2.647 96 C HN 0.385 nan 8.230 nan 0.000 0.604 97 T N -0.653 113.908 114.554 0.011 0.000 2.838 97 T HA 0.454 4.805 4.350 0.002 0.000 0.292 97 T C -2.432 172.270 174.700 0.003 0.000 1.113 97 T CA -1.123 60.981 62.100 0.006 0.000 1.008 97 T CB 1.232 70.102 68.868 0.004 0.000 1.259 97 T HN 0.256 nan 8.240 nan 0.000 0.520 98 P HA 0.122 nan 4.420 nan 0.000 0.221 98 P C 1.389 178.688 177.300 -0.001 0.000 1.150 98 P CA 0.563 63.661 63.100 -0.002 0.000 0.800 98 P CB 0.130 31.827 31.700 -0.005 0.000 0.787 99 R N -0.530 119.969 120.500 -0.000 0.000 2.148 99 R HA 0.043 4.384 4.340 0.002 0.000 0.223 99 R C 0.938 177.239 176.300 0.000 0.000 1.088 99 R CA 0.776 56.876 56.100 -0.000 0.000 0.985 99 R CB -0.137 30.163 30.300 -0.000 0.000 0.880 99 R HN 0.248 nan 8.270 nan 0.000 0.451 100 R N -0.386 120.116 120.500 0.002 0.000 2.690 100 R HA 0.198 4.539 4.340 0.002 0.000 0.269 100 R C -1.788 174.516 176.300 0.007 0.000 1.037 100 R CA -0.784 55.318 56.100 0.003 0.000 0.877 100 R CB 0.579 30.881 30.300 0.004 0.000 1.255 100 R HN 0.017 nan 8.270 nan 0.000 0.467 101 C N 3.050 122.354 119.300 0.007 0.000 2.298 101 C HA 0.618 5.079 4.460 0.002 0.000 0.323 101 C C 0.510 175.512 174.990 0.020 0.000 1.284 101 C CA -0.718 58.308 59.018 0.013 0.000 1.577 101 C CB -0.552 27.191 27.740 0.006 0.000 2.249 101 C HN 0.742 nan 8.230 nan 0.000 0.497 102 L N 5.640 126.880 121.223 0.029 0.000 3.017 102 L HA 0.300 4.641 4.340 0.002 0.000 0.255 102 L C 2.004 178.907 176.870 0.056 0.000 1.247 102 L CA 0.263 55.127 54.840 0.039 0.000 1.038 102 L CB -0.007 42.073 42.059 0.035 0.000 1.380 102 L HN 1.008 nan 8.230 nan 0.000 0.548 103 G N 0.297 109.133 108.800 0.060 0.000 2.448 103 G HA2 -0.255 3.706 3.960 0.002 0.000 0.219 103 G HA3 -0.255 3.706 3.960 0.002 0.000 0.219 103 G C 1.604 176.579 174.900 0.125 0.000 1.127 103 G CA 1.091 46.241 45.100 0.084 0.000 0.766 103 G HN 0.503 nan 8.290 nan 0.000 0.552 104 S N -0.457 115.315 115.700 0.119 0.000 2.603 104 S HA 0.290 4.761 4.470 0.002 0.000 0.220 104 S C 0.607 175.308 174.600 0.169 0.000 0.967 104 S CA -0.382 57.912 58.200 0.158 0.000 0.920 104 S CB -0.124 63.142 63.200 0.111 0.000 0.773 104 S HN -0.017 nan 8.310 nan 0.000 0.529 105 L N 2.164 123.470 121.223 0.137 0.000 2.319 105 L HA 0.295 4.636 4.340 0.002 0.000 0.280 105 L C 1.334 178.308 176.870 0.173 0.000 1.099 105 L CA 0.061 54.976 54.840 0.125 0.000 0.828 105 L CB 0.963 43.070 42.059 0.081 0.000 1.150 105 L HN -0.024 nan 8.230 nan 0.000 0.442 106 V N 3.440 123.472 119.914 0.196 0.000 2.229 106 V HA -0.102 4.019 4.120 0.002 0.000 0.243 106 V C 0.931 177.102 176.094 0.128 0.000 1.042 106 V CA 1.123 63.573 62.300 0.251 0.000 1.000 106 V CB -0.335 31.653 31.823 0.274 0.000 0.637 106 V HN 0.482 nan 8.190 nan 0.000 0.446 107 L N 1.047 122.279 121.223 0.015 0.000 2.375 107 L HA 0.481 4.822 4.340 0.002 0.000 0.268 107 L C -2.124 174.767 176.870 0.036 0.000 1.058 107 L CA -1.390 53.421 54.840 -0.048 0.000 0.803 107 L CB 1.017 42.980 42.059 -0.161 0.000 1.212 107 L HN 0.221 nan 8.230 nan 0.000 0.451 108 P HA 0.631 nan 4.420 nan 0.000 0.332 108 P C -0.861 176.456 177.300 0.028 0.000 1.233 108 P CA -0.564 62.568 63.100 0.054 0.000 0.836 108 P CB 2.799 34.547 31.700 0.080 0.000 1.369 109 R N -2.304 118.210 120.500 0.023 0.000 2.729 109 R HA 0.222 4.563 4.340 0.002 0.000 0.215 109 R C 1.703 178.009 176.300 0.011 0.000 0.970 109 R CA 0.302 56.407 56.100 0.009 0.000 1.196 109 R CB -0.517 29.784 30.300 0.001 0.000 1.670 109 R HN 0.143 nan 8.270 nan 0.000 0.575 110 K N 0.218 120.628 120.400 0.017 0.000 2.137 110 K HA 0.208 4.529 4.320 0.002 0.000 0.202 110 K C 1.059 177.669 176.600 0.017 0.000 1.052 110 K CA 0.944 57.239 56.287 0.014 0.000 0.961 110 K CB 0.189 32.698 32.500 0.015 0.000 0.741 110 K HN -0.037 nan 8.250 nan 0.000 0.452 111 L N 0.558 121.797 121.223 0.026 0.000 2.509 111 L HA 0.177 4.518 4.340 0.002 0.000 0.222 111 L C 0.593 177.480 176.870 0.030 0.000 1.123 111 L CA 0.415 55.270 54.840 0.024 0.000 0.856 111 L CB -0.649 41.428 42.059 0.029 0.000 0.985 111 L HN 0.115 nan 8.230 nan 0.000 0.456 112 Q N 0.748 120.572 119.800 0.039 0.000 2.349 112 Q HA 0.024 4.365 4.340 0.002 0.000 0.287 112 Q C 0.043 176.054 176.000 0.018 0.000 1.044 112 Q CA 0.320 56.148 55.803 0.041 0.000 0.918 112 Q CB 0.562 29.315 28.738 0.026 0.000 1.242 112 Q HN 0.354 nan 8.270 nan 0.000 0.405 113 T N 2.891 117.455 114.554 0.017 0.000 3.162 113 T HA 0.331 4.682 4.350 0.002 0.000 0.316 113 T C 0.019 174.713 174.700 -0.011 0.000 1.182 113 T CA -0.875 61.225 62.100 -0.000 0.000 1.015 113 T CB 0.183 69.050 68.868 -0.001 0.000 1.089 113 T HN 0.382 nan 8.240 nan 0.000 0.646 114 R N 3.079 123.571 120.500 -0.014 0.000 2.623 114 R HA 0.207 4.548 4.340 0.002 0.000 0.271 114 R C -1.879 174.407 176.300 -0.024 0.000 1.043 114 R CA -1.396 54.692 56.100 -0.021 0.000 1.083 114 R CB -0.154 30.135 30.300 -0.018 0.000 0.974 114 R HN 0.450 nan 8.270 nan 0.000 0.436 115 P HA -0.032 nan 4.420 nan 0.000 0.273 115 P C -0.525 176.761 177.300 -0.022 0.000 1.252 115 P CA 0.194 63.279 63.100 -0.026 0.000 0.809 115 P CB 0.442 32.126 31.700 -0.027 0.000 1.017 116 S N 1.249 116.937 115.700 -0.020 0.000 2.543 116 S HA 0.234 4.705 4.470 0.002 0.000 0.299 116 S C -1.757 172.836 174.600 -0.011 0.000 1.125 116 S CA -0.621 57.568 58.200 -0.018 0.000 1.098 116 S CB 0.125 63.312 63.200 -0.021 0.000 1.063 116 S HN 0.350 nan 8.310 nan 0.000 0.493 117 P HA 0.186 nan 4.420 nan 0.000 0.237 117 P C 0.708 178.006 177.300 -0.003 0.000 1.178 117 P CA 0.400 63.497 63.100 -0.006 0.000 0.766 117 P CB 0.158 31.854 31.700 -0.006 0.000 0.876 118 G N -1.536 107.262 108.800 -0.004 0.000 2.317 118 G HA2 0.275 4.236 3.960 0.002 0.000 0.293 118 G HA3 0.275 4.236 3.960 0.002 0.000 0.293 118 G C -3.400 171.498 174.900 -0.004 0.000 1.287 118 G CA -0.831 44.269 45.100 -0.001 0.000 0.850 118 G HN -0.355 nan 8.290 nan 0.000 0.515 119 P HA 0.342 nan 4.420 nan 0.000 0.280 119 P C -2.134 175.166 177.300 -0.001 0.000 1.244 119 P CA -0.873 62.226 63.100 -0.002 0.000 0.784 119 P CB 0.645 32.349 31.700 0.006 0.000 0.913 120 P HA 0.242 nan 4.420 nan 0.000 0.275 120 P C -2.536 174.768 177.300 0.007 0.000 1.228 120 P CA -1.602 61.497 63.100 -0.001 0.000 0.786 120 P CB -0.562 31.135 31.700 -0.005 0.000 0.927 121 P HA -0.122 nan 4.420 nan 0.000 0.259 121 P C 0.975 178.283 177.300 0.014 0.000 1.155 121 P CA 0.615 63.721 63.100 0.009 0.000 0.759 121 P CB 0.035 31.739 31.700 0.007 0.000 0.753 122 A N 4.824 127.653 122.820 0.015 0.000 2.024 122 A HA -0.228 4.093 4.320 0.002 0.000 0.220 122 A C 1.932 179.524 177.584 0.012 0.000 1.164 122 A CA 1.434 53.481 52.037 0.018 0.000 0.643 122 A CB -0.518 18.491 19.000 0.015 0.000 0.806 122 A HN 0.506 nan 8.150 nan 0.000 0.451 123 E N -0.433 119.773 120.200 0.009 0.000 2.046 123 E HA -0.215 4.136 4.350 0.002 0.000 0.190 123 E C 2.206 178.813 176.600 0.011 0.000 0.982 123 E CA 1.281 57.685 56.400 0.007 0.000 0.800 123 E CB -0.543 29.160 29.700 0.005 0.000 0.756 123 E HN 0.887 nan 8.360 nan 0.000 0.449 124 Q N 0.775 120.583 119.800 0.014 0.000 2.030 124 Q HA -0.193 4.148 4.340 0.002 0.000 0.204 124 Q C 2.348 178.365 176.000 0.028 0.000 0.986 124 Q CA 1.407 57.221 55.803 0.018 0.000 0.843 124 Q CB -0.197 28.550 28.738 0.015 0.000 0.904 124 Q HN 0.209 nan 8.270 nan 0.000 0.420 125 L N 0.705 121.948 121.223 0.033 0.000 2.046 125 L HA -0.147 4.194 4.340 0.002 0.000 0.208 125 L C 2.256 179.156 176.870 0.049 0.000 1.077 125 L CA 1.446 56.322 54.840 0.059 0.000 0.747 125 L CB -0.736 41.367 42.059 0.073 0.000 0.896 125 L HN 0.365 nan 8.230 nan 0.000 0.432 126 L N -1.172 120.059 121.223 0.013 0.000 2.131 126 L HA -0.175 4.166 4.340 0.002 0.000 0.210 126 L C 2.503 179.368 176.870 -0.009 0.000 1.092 126 L CA 1.909 56.732 54.840 -0.028 0.000 0.759 126 L CB -0.629 41.414 42.059 -0.027 0.000 0.903 126 L HN 0.502 nan 8.230 nan 0.000 0.435 127 S N -0.746 114.964 115.700 0.016 0.000 2.371 127 S HA -0.186 4.285 4.470 0.002 0.000 0.224 127 S C 1.789 176.424 174.600 0.058 0.000 1.029 127 S CA 1.074 59.292 58.200 0.030 0.000 0.978 127 S CB 0.103 63.319 63.200 0.027 0.000 0.833 127 S HN 0.550 nan 8.310 nan 0.000 0.466 128 Q N 0.295 120.138 119.800 0.071 0.000 2.123 128 Q HA 0.085 4.426 4.340 0.002 0.000 0.199 128 Q C 2.465 178.566 176.000 0.168 0.000 0.966 128 Q CA 1.188 57.056 55.803 0.108 0.000 0.845 128 Q CB -0.300 28.494 28.738 0.092 0.000 0.907 128 Q HN 0.645 nan 8.270 nan 0.000 0.439 129 A N 1.591 124.489 122.820 0.129 0.000 1.855 129 A HA -0.188 4.133 4.320 0.002 0.000 0.215 129 A C 2.034 179.690 177.584 0.120 0.000 1.191 129 A CA 1.250 53.351 52.037 0.107 0.000 0.613 129 A CB -0.387 18.444 19.000 -0.281 0.000 0.829 129 A HN 0.190 nan 8.150 nan 0.000 0.442 130 R N -0.539 119.992 120.500 0.051 0.000 2.091 130 R HA -0.172 4.169 4.340 0.002 0.000 0.238 130 R C 2.022 178.402 176.300 0.133 0.000 1.136 130 R CA 1.649 57.790 56.100 0.069 0.000 0.959 130 R CB -0.526 29.790 30.300 0.028 0.000 0.856 130 R HN 0.709 nan 8.270 nan 0.000 0.437 131 D N 0.227 120.713 120.400 0.144 0.000 2.097 131 D HA -0.211 4.430 4.640 0.002 0.000 0.195 131 D C 1.644 178.074 176.300 0.216 0.000 0.989 131 D CA 1.014 55.110 54.000 0.161 0.000 0.827 131 D CB -0.079 40.809 40.800 0.148 0.000 0.966 131 D HN 0.138 nan 8.370 nan 0.000 0.456 132 F N 0.760 120.805 119.950 0.158 0.000 2.134 132 F HA -0.085 4.443 4.527 0.002 0.000 0.299 132 F C 1.915 177.870 175.800 0.259 0.000 1.097 132 F CA 0.993 59.123 58.000 0.215 0.000 1.264 132 F CB -0.222 38.906 39.000 0.213 0.000 1.001 132 F HN -0.002 nan 8.300 nan 0.000 0.479 133 I N 0.824 121.430 120.570 0.061 0.000 2.286 133 I HA -0.285 3.886 4.170 0.002 0.000 0.248 133 I C 1.986 178.171 176.117 0.113 0.000 1.115 133 I CA 1.121 62.461 61.300 0.068 0.000 1.392 133 I CB -1.652 36.487 38.000 0.233 0.000 1.065 133 I HN 0.224 nan 8.210 nan 0.000 0.418 134 N N 0.812 119.606 118.700 0.156 0.000 2.142 134 N HA -0.171 4.570 4.740 0.002 0.000 0.186 134 N C 1.854 177.350 175.510 -0.023 0.000 1.023 134 N CA 1.016 54.156 53.050 0.149 0.000 0.852 134 N CB -0.260 38.334 38.487 0.177 0.000 0.998 134 N HN 0.490 nan 8.380 nan 0.000 0.424 135 Q N -0.600 119.188 119.800 -0.021 0.000 2.050 135 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 135 Q C 1.778 177.602 176.000 -0.295 0.000 0.980 135 Q CA 1.242 57.041 55.803 -0.006 0.000 0.840 135 Q CB -0.243 28.622 28.738 0.213 0.000 0.898 135 Q HN 0.447 nan 8.270 nan 0.000 0.424 136 Y N -0.017 119.872 120.300 -0.686 0.000 2.145 136 Y HA -0.293 4.258 4.550 0.002 0.000 0.286 136 Y C 1.662 177.003 175.900 -0.931 0.000 1.145 136 Y CA 1.624 59.014 58.100 -1.183 0.000 1.148 136 Y CB -0.431 37.409 38.460 -1.033 0.000 0.981 136 Y HN 0.099 nan 8.280 nan 0.000 0.507 137 Y N -0.631 119.244 120.300 -0.708 0.000 2.421 137 Y HA -0.163 4.388 4.550 0.002 0.000 0.292 137 Y C 2.768 178.333 175.900 -0.558 0.000 1.136 137 Y CA 1.539 59.197 58.100 -0.735 0.000 1.255 137 Y CB -0.439 37.448 38.460 -0.955 0.000 0.991 137 Y HN 0.096 nan 8.280 nan 0.000 0.552 138 S N -0.864 114.628 115.700 -0.347 0.000 2.387 138 S HA -0.186 4.285 4.470 0.002 0.000 0.226 138 S C 2.323 176.760 174.600 -0.272 0.000 1.026 138 S CA 1.149 59.219 58.200 -0.216 0.000 0.972 138 S CB -0.511 62.620 63.200 -0.116 0.000 0.814 138 S HN 0.632 nan 8.310 nan 0.000 0.477 139 S N 2.739 118.173 115.700 -0.443 0.000 2.370 139 S HA -0.128 4.343 4.470 0.002 0.000 0.226 139 S C 1.763 176.124 174.600 -0.397 0.000 1.033 139 S CA 1.477 59.428 58.200 -0.416 0.000 1.011 139 S CB -0.805 61.933 63.200 -0.771 0.000 0.852 139 S HN 0.702 nan 8.310 nan 0.000 0.457 140 I N -2.307 117.916 120.570 -0.578 0.000 3.793 140 I HA 0.379 4.550 4.170 0.002 0.000 0.315 140 I C 0.522 176.484 176.117 -0.258 0.000 1.275 140 I CA -0.145 60.895 61.300 -0.432 0.000 1.214 140 I CB -0.504 37.141 38.000 -0.592 0.000 1.018 140 I HN 0.136 nan 8.210 nan 0.000 0.439 141 K N 0.800 121.066 120.400 -0.223 0.000 3.341 141 K HA -0.142 4.179 4.320 0.002 0.000 0.305 141 K C 0.015 176.569 176.600 -0.077 0.000 1.270 141 K CA 0.686 56.899 56.287 -0.124 0.000 0.897 141 K CB -1.206 31.241 32.500 -0.089 0.000 1.264 141 K HN 0.402 nan 8.250 nan 0.000 0.468 142 R N 0.645 121.105 120.500 -0.068 0.000 2.702 142 R HA 0.137 4.478 4.340 0.002 0.000 0.314 142 R C 0.275 176.612 176.300 0.062 0.000 1.152 142 R CA -0.122 55.997 56.100 0.032 0.000 1.097 142 R CB 0.596 30.968 30.300 0.120 0.000 1.343 142 R HN 0.132 nan 8.270 nan 0.000 0.575 143 S N -0.308 115.400 115.700 0.014 0.000 2.572 143 S HA 0.322 4.793 4.470 0.002 0.000 0.279 143 S C 1.462 176.145 174.600 0.138 0.000 1.341 143 S CA 1.124 59.368 58.200 0.074 0.000 1.043 143 S CB 0.507 63.730 63.200 0.038 0.000 0.887 143 S HN 0.742 nan 8.310 nan 0.000 0.516 144 G N 2.724 111.690 108.800 0.277 0.000 2.328 144 G HA2 -0.336 3.625 3.960 0.002 0.000 0.256 144 G HA3 -0.336 3.625 3.960 0.002 0.000 0.256 144 G C 0.456 175.353 174.900 -0.004 0.000 1.014 144 G CA 0.801 45.935 45.100 0.056 0.000 0.620 144 G HN 1.745 nan 8.290 nan 0.000 0.530 145 S N -0.185 115.525 115.700 0.017 0.000 2.592 145 S HA 0.250 4.721 4.470 0.002 0.000 0.256 145 S C 1.345 175.910 174.600 -0.059 0.000 1.369 145 S CA 0.987 59.177 58.200 -0.016 0.000 0.984 145 S CB 0.956 64.160 63.200 0.007 0.000 0.919 145 S HN 0.657 nan 8.310 nan 0.000 0.576 146 Q N 0.681 120.454 119.800 -0.045 0.000 2.079 146 Q HA -0.111 4.230 4.340 0.002 0.000 0.200 146 Q C 2.324 178.283 176.000 -0.070 0.000 0.974 146 Q CA 1.422 57.193 55.803 -0.053 0.000 0.840 146 Q CB -0.762 27.960 28.738 -0.026 0.000 0.898 146 Q HN 0.938 nan 8.270 nan 0.000 0.430 147 A N 0.152 122.943 122.820 -0.049 0.000 1.940 147 A HA -0.255 4.066 4.320 0.002 0.000 0.219 147 A C 1.859 179.285 177.584 -0.264 0.000 1.176 147 A CA 1.768 53.785 52.037 -0.033 0.000 0.631 147 A CB -1.008 18.064 19.000 0.120 0.000 0.814 147 A HN 0.697 nan 8.150 nan 0.000 0.446 148 H N -1.300 117.343 119.070 -0.713 0.000 2.299 148 H HA -0.152 4.405 4.556 0.002 0.000 0.302 148 H C 2.215 177.242 175.328 -0.502 0.000 1.078 148 H CA 1.528 56.881 56.048 -1.159 0.000 1.323 148 H CB 0.132 29.367 29.762 -0.878 0.000 1.381 148 H HN 0.485 nan 8.280 nan 0.000 0.498 149 E N 0.879 120.898 120.200 -0.301 0.000 2.106 149 E HA -0.141 4.210 4.350 0.002 0.000 0.192 149 E C 2.016 178.532 176.600 -0.140 0.000 0.984 149 E CA 1.429 57.675 56.400 -0.256 0.000 0.806 149 E CB -0.012 29.567 29.700 -0.201 0.000 0.750 149 E HN 0.612 nan 8.360 nan 0.000 0.458 150 E N -0.477 119.665 120.200 -0.097 0.000 2.106 150 E HA -0.179 4.172 4.350 0.002 0.000 0.192 150 E C 2.100 178.695 176.600 -0.007 0.000 0.984 150 E CA 0.930 57.306 56.400 -0.039 0.000 0.806 150 E CB -0.069 29.623 29.700 -0.013 0.000 0.750 150 E HN -0.009 nan 8.360 nan 0.000 0.458 151 R N 1.196 121.699 120.500 0.005 0.000 2.092 151 R HA -0.053 4.288 4.340 0.002 0.000 0.231 151 R C 2.030 178.366 176.300 0.060 0.000 1.119 151 R CA 1.017 57.170 56.100 0.088 0.000 0.970 151 R CB -0.440 29.993 30.300 0.223 0.000 0.864 151 R HN 0.144 nan 8.270 nan 0.000 0.440 152 L N 0.062 121.290 121.223 0.007 0.000 2.093 152 L HA -0.162 4.179 4.340 0.002 0.000 0.208 152 L C 2.470 179.316 176.870 -0.041 0.000 1.085 152 L CA 1.536 56.362 54.840 -0.024 0.000 0.755 152 L CB -0.370 41.633 42.059 -0.094 0.000 0.904 152 L HN 0.314 nan 8.230 nan 0.000 0.435 153 Q N -0.374 119.403 119.800 -0.039 0.000 2.119 153 Q HA -0.199 4.142 4.340 0.002 0.000 0.201 153 Q C 2.096 178.091 176.000 -0.009 0.000 0.972 153 Q CA 1.278 57.063 55.803 -0.029 0.000 0.847 153 Q CB -0.009 28.713 28.738 -0.028 0.000 0.903 153 Q HN 0.524 nan 8.270 nan 0.000 0.433 154 E N -0.013 120.194 120.200 0.012 0.000 2.058 154 E HA -0.182 4.169 4.350 0.002 0.000 0.194 154 E C 2.115 178.735 176.600 0.032 0.000 0.997 154 E CA 1.459 57.882 56.400 0.038 0.000 0.801 154 E CB -0.022 29.720 29.700 0.069 0.000 0.746 154 E HN 0.129 nan 8.360 nan 0.000 0.450 155 V N 1.647 121.557 119.914 -0.007 0.000 2.343 155 V HA -0.265 3.856 4.120 0.002 0.000 0.247 155 V C 2.053 178.076 176.094 -0.119 0.000 1.051 155 V CA 1.963 64.191 62.300 -0.119 0.000 1.036 155 V CB -0.486 31.161 31.823 -0.293 0.000 0.654 155 V HN 0.252 nan 8.190 nan 0.000 0.451 156 E N 0.252 120.403 120.200 -0.081 0.000 2.072 156 E HA -0.168 4.183 4.350 0.002 0.000 0.191 156 E C 2.330 178.919 176.600 -0.018 0.000 0.985 156 E CA 1.241 57.607 56.400 -0.056 0.000 0.801 156 E CB -0.344 29.329 29.700 -0.046 0.000 0.750 156 E HN 0.602 nan 8.360 nan 0.000 0.452 157 A N 1.411 124.230 122.820 -0.002 0.000 1.902 157 A HA -0.254 4.067 4.320 0.002 0.000 0.217 157 A C 2.050 179.656 177.584 0.037 0.000 1.181 157 A CA 1.606 53.653 52.037 0.017 0.000 0.623 157 A CB -0.405 18.608 19.000 0.022 0.000 0.818 157 A HN 0.214 nan 8.150 nan 0.000 0.443 158 E N -0.446 119.787 120.200 0.056 0.000 2.106 158 E HA -0.103 4.248 4.350 0.002 0.000 0.192 158 E C 1.879 178.538 176.600 0.099 0.000 0.984 158 E CA 1.213 57.674 56.400 0.101 0.000 0.806 158 E CB -0.048 29.754 29.700 0.169 0.000 0.750 158 E HN 0.342 nan 8.360 nan 0.000 0.458 159 V N 0.963 120.919 119.914 0.070 0.000 2.358 159 V HA -0.213 3.908 4.120 0.002 0.000 0.246 159 V C 2.365 178.485 176.094 0.044 0.000 1.047 159 V CA 1.650 63.989 62.300 0.065 0.000 1.035 159 V CB -0.600 31.238 31.823 0.025 0.000 0.658 159 V HN 0.390 nan 8.190 nan 0.000 0.452 160 A N -0.510 122.326 122.820 0.027 0.000 1.978 160 A HA -0.195 4.126 4.320 0.002 0.000 0.220 160 A C 2.437 180.038 177.584 0.028 0.000 1.170 160 A CA 2.400 54.450 52.037 0.021 0.000 0.636 160 A CB -0.431 18.577 19.000 0.013 0.000 0.810 160 A HN 0.528 nan 8.150 nan 0.000 0.448 161 S N -1.440 114.283 115.700 0.038 0.000 2.427 161 S HA -0.033 4.438 4.470 0.002 0.000 0.224 161 S C 1.978 176.606 174.600 0.047 0.000 1.047 161 S CA 1.396 59.620 58.200 0.040 0.000 0.953 161 S CB -0.059 63.167 63.200 0.043 0.000 0.824 161 S HN 0.868 nan 8.310 nan 0.000 0.502 162 T N -2.166 112.425 114.554 0.062 0.000 3.023 162 T HA 0.446 4.797 4.350 0.002 0.000 0.253 162 T C 1.463 176.198 174.700 0.058 0.000 1.038 162 T CA 0.863 63.003 62.100 0.067 0.000 0.962 162 T CB 0.465 69.390 68.868 0.096 0.000 1.018 162 T HN 0.522 nan 8.240 nan 0.000 0.521 163 G N 0.270 109.104 108.800 0.055 0.000 2.179 163 G HA2 -0.202 3.759 3.960 0.002 0.000 0.260 163 G HA3 -0.202 3.759 3.960 0.002 0.000 0.260 163 G C 0.186 175.117 174.900 0.052 0.000 0.977 163 G CA 0.561 45.688 45.100 0.045 0.000 0.641 163 G HN 1.022 nan 8.290 nan 0.000 0.533 164 T N -1.490 113.108 114.554 0.073 0.000 2.711 164 T HA 0.697 5.048 4.350 0.002 0.000 0.302 164 T C -1.243 173.547 174.700 0.151 0.000 1.373 164 T CA 0.402 62.539 62.100 0.063 0.000 1.000 164 T CB 1.526 70.358 68.868 -0.061 0.000 1.483 164 T HN 1.574 nan 8.240 nan 0.000 0.499 165 Y N -0.627 119.583 120.300 -0.150 0.000 2.744 165 Y HA 0.850 5.401 4.550 0.002 0.000 0.330 165 Y C -1.600 174.101 175.900 -0.331 0.000 1.263 165 Y CA -1.146 56.904 58.100 -0.084 0.000 1.065 165 Y CB 0.751 39.219 38.460 0.013 0.000 1.306 165 Y HN 0.793 nan 8.280 nan 0.000 0.459 166 H N 0.282 119.351 119.070 -0.001 0.000 2.821 166 H HA 0.698 5.255 4.556 0.002 0.000 0.373 166 H C -1.110 174.244 175.328 0.044 0.000 1.165 166 H CA -0.814 55.180 56.048 -0.090 0.000 1.154 166 H CB 2.030 31.795 29.762 0.004 0.000 1.765 166 H HN 0.727 nan 8.280 nan 0.000 0.549 167 L N 1.904 123.191 121.223 0.106 0.000 2.360 167 L HA 0.528 4.869 4.340 0.002 0.000 0.271 167 L C 0.484 177.424 176.870 0.117 0.000 1.057 167 L CA -0.801 54.130 54.840 0.151 0.000 0.803 167 L CB 1.018 43.140 42.059 0.106 0.000 1.207 167 L HN 0.421 nan 8.230 nan 0.000 0.445 168 R N 0.583 121.130 120.500 0.078 0.000 2.528 168 R HA 0.090 4.431 4.340 0.002 0.000 0.271 168 R C 0.877 177.170 176.300 -0.011 0.000 1.056 168 R CA -0.508 55.608 56.100 0.027 0.000 1.117 168 R CB 1.059 31.357 30.300 -0.003 0.000 1.085 168 R HN 0.641 nan 8.270 nan 0.000 0.530 169 E N 0.935 121.127 120.200 -0.014 0.000 2.085 169 E HA -0.230 4.121 4.350 0.002 0.000 0.194 169 E C 1.525 178.107 176.600 -0.030 0.000 0.994 169 E CA 2.079 58.462 56.400 -0.029 0.000 0.801 169 E CB 0.111 29.799 29.700 -0.022 0.000 0.743 169 E HN 0.668 nan 8.360 nan 0.000 0.453 170 S N -0.076 115.603 115.700 -0.034 0.000 2.423 170 S HA -0.161 4.310 4.470 0.002 0.000 0.231 170 S C 1.691 176.259 174.600 -0.054 0.000 1.014 170 S CA 1.197 59.395 58.200 -0.004 0.000 0.965 170 S CB -0.216 63.007 63.200 0.037 0.000 0.785 170 S HN 0.337 nan 8.310 nan 0.000 0.495 171 E N 0.721 120.780 120.200 -0.235 0.000 2.112 171 E HA 0.043 4.394 4.350 0.002 0.000 0.190 171 E C 1.994 178.725 176.600 0.219 0.000 0.979 171 E CA 0.864 57.144 56.400 -0.199 0.000 0.814 171 E CB -0.266 29.325 29.700 -0.183 0.000 0.762 171 E HN 0.461 nan 8.360 nan 0.000 0.460 172 L N 0.750 122.005 121.223 0.053 0.000 2.093 172 L HA -0.127 4.214 4.340 0.002 0.000 0.208 172 L C 2.154 179.008 176.870 -0.026 0.000 1.085 172 L CA 1.172 55.981 54.840 -0.051 0.000 0.755 172 L CB -0.097 41.870 42.059 -0.154 0.000 0.904 172 L HN -0.077 nan 8.230 nan 0.000 0.435 173 V N -0.475 119.458 119.914 0.033 0.000 2.295 173 V HA -0.291 3.830 4.120 0.002 0.000 0.246 173 V C 2.299 178.491 176.094 0.163 0.000 1.049 173 V CA 2.112 64.445 62.300 0.055 0.000 1.024 173 V CB -0.834 31.022 31.823 0.055 0.000 0.648 173 V HN 0.589 nan 8.190 nan 0.000 0.447 174 F N 2.014 122.048 119.950 0.140 0.000 2.146 174 F HA 0.005 4.533 4.527 0.002 0.000 0.298 174 F C 2.138 178.092 175.800 0.255 0.000 1.096 174 F CA 1.621 59.759 58.000 0.230 0.000 1.275 174 F CB -0.889 38.316 39.000 0.340 0.000 1.008 174 F HN 0.119 nan 8.300 nan 0.000 0.480 175 G N -0.051 108.833 108.800 0.140 0.000 2.418 175 G HA2 -0.223 3.738 3.960 0.002 0.000 0.217 175 G HA3 -0.223 3.738 3.960 0.002 0.000 0.217 175 G C 1.832 176.603 174.900 -0.216 0.000 1.158 175 G CA 0.839 45.903 45.100 -0.061 0.000 0.771 175 G HN 0.625 nan 8.290 nan 0.000 0.545 176 A N 0.700 123.429 122.820 -0.153 0.000 1.933 176 A HA 0.009 4.330 4.320 0.002 0.000 0.218 176 A C 2.307 179.902 177.584 0.018 0.000 1.175 176 A CA 1.964 53.922 52.037 -0.132 0.000 0.628 176 A CB -0.319 18.634 19.000 -0.078 0.000 0.814 176 A HN 0.387 nan 8.150 nan 0.000 0.444 177 K N -0.804 119.640 120.400 0.075 0.000 2.057 177 K HA -0.106 4.215 4.320 0.002 0.000 0.206 177 K C 2.289 178.974 176.600 0.142 0.000 1.050 177 K CA 1.252 57.698 56.287 0.265 0.000 0.935 177 K CB -0.118 32.580 32.500 0.331 0.000 0.715 177 K HN 0.375 nan 8.250 nan 0.000 0.439 178 Q N 0.147 119.842 119.800 -0.176 0.000 2.119 178 Q HA -0.074 4.267 4.340 0.002 0.000 0.201 178 Q C 2.157 178.019 176.000 -0.230 0.000 0.972 178 Q CA 1.381 56.981 55.803 -0.337 0.000 0.847 178 Q CB -0.186 28.250 28.738 -0.504 0.000 0.903 178 Q HN 0.313 nan 8.270 nan 0.000 0.433 179 A N 0.325 123.020 122.820 -0.208 0.000 1.877 179 A HA -0.190 4.131 4.320 0.002 0.000 0.216 179 A C 1.820 179.443 177.584 0.064 0.000 1.186 179 A CA 1.418 53.294 52.037 -0.270 0.000 0.620 179 A CB -1.008 17.527 19.000 -0.775 0.000 0.822 179 A HN 0.532 nan 8.150 nan 0.000 0.443 180 W N 0.976 122.297 121.300 0.036 0.000 2.355 180 W HA -0.136 4.525 4.660 0.002 0.000 0.309 180 W C 2.368 178.847 176.519 -0.066 0.000 1.206 180 W CA 1.624 59.017 57.345 0.079 0.000 1.284 180 W CB -0.705 28.801 29.460 0.077 0.000 1.145 180 W HN 0.373 nan 8.180 nan 0.000 0.502 181 R N 0.329 120.755 120.500 -0.124 0.000 2.127 181 R HA -0.183 4.158 4.340 0.002 0.000 0.238 181 R C 1.542 177.661 176.300 -0.301 0.000 1.134 181 R CA 1.804 57.590 56.100 -0.524 0.000 0.975 181 R CB -0.566 29.070 30.300 -1.106 0.000 0.865 181 R HN 0.104 nan 8.270 nan 0.000 0.447 182 N N 0.373 118.958 118.700 -0.192 0.000 2.467 182 N HA 0.019 4.760 4.740 0.002 0.000 0.184 182 N C -0.307 175.147 175.510 -0.094 0.000 1.106 182 N CA 0.625 53.585 53.050 -0.150 0.000 0.892 182 N CB 0.380 38.783 38.487 -0.141 0.000 0.969 182 N HN 0.169 nan 8.380 nan 0.000 0.454 183 A N 2.104 124.920 122.820 -0.007 0.000 2.473 183 A HA 0.203 4.524 4.320 0.002 0.000 0.282 183 A C -1.234 176.323 177.584 -0.045 0.000 1.163 183 A CA -0.863 51.172 52.037 -0.003 0.000 0.827 183 A CB 0.274 19.318 19.000 0.073 0.000 1.098 183 A HN 0.020 nan 8.150 nan 0.000 0.515 184 P HA -0.118 nan 4.420 nan 0.000 0.220 184 P C 1.064 178.311 177.300 -0.087 0.000 1.148 184 P CA 1.151 64.188 63.100 -0.106 0.000 0.803 184 P CB 0.159 31.764 31.700 -0.158 0.000 0.782 185 R N -2.134 118.279 120.500 -0.146 0.000 2.317 185 R HA 0.153 4.494 4.340 0.002 0.000 0.208 185 R C 0.257 176.564 176.300 0.013 0.000 0.914 185 R CA -0.133 55.905 56.100 -0.102 0.000 1.060 185 R CB -0.477 29.566 30.300 -0.429 0.000 1.015 185 R HN 0.178 nan 8.270 nan 0.000 0.498 186 C N 0.681 119.974 119.300 -0.012 0.000 2.325 186 C HA 0.221 4.682 4.460 0.002 0.000 0.347 186 C C 1.840 176.788 174.990 -0.070 0.000 1.263 186 C CA -0.621 58.414 59.018 0.029 0.000 1.806 186 C CB 0.647 28.474 27.740 0.145 0.000 2.405 186 C HN 0.284 nan 8.230 nan 0.000 0.537 187 V N 5.943 125.784 119.914 -0.122 0.000 3.541 187 V HA 0.234 4.355 4.120 0.002 0.000 0.267 187 V C 1.694 177.801 176.094 0.021 0.000 1.213 187 V CA 1.880 64.012 62.300 -0.280 0.000 1.149 187 V CB -0.051 31.620 31.823 -0.253 0.000 0.822 187 V HN 1.068 nan 8.190 nan 0.000 0.462 188 G N -0.554 108.299 108.800 0.089 0.000 3.523 188 G HA2 0.084 4.045 3.960 0.002 0.000 0.270 188 G HA3 0.084 4.045 3.960 0.002 0.000 0.270 188 G C 1.123 176.072 174.900 0.081 0.000 1.134 188 G CA -0.389 44.784 45.100 0.122 0.000 0.825 188 G HN 0.419 nan 8.290 nan 0.000 0.534 189 R N -0.182 120.282 120.500 -0.061 0.000 2.357 189 R HA 0.141 4.482 4.340 0.002 0.000 0.202 189 R C 1.873 177.768 176.300 -0.674 0.000 1.047 189 R CA 0.097 55.876 56.100 -0.535 0.000 1.034 189 R CB -0.098 29.860 30.300 -0.570 0.000 0.875 189 R HN 0.456 nan 8.270 nan 0.000 0.473 190 I N 0.653 121.018 120.570 -0.340 0.000 2.676 190 I HA -0.198 3.973 4.170 0.002 0.000 0.259 190 I C 1.257 177.294 176.117 -0.133 0.000 1.194 190 I CA 1.093 62.328 61.300 -0.108 0.000 1.473 190 I CB 0.227 38.263 38.000 0.060 0.000 1.096 190 I HN 0.150 nan 8.210 nan 0.000 0.443 191 Q N 0.568 120.232 119.800 -0.228 0.000 2.320 191 Q HA -0.086 4.255 4.340 0.002 0.000 0.201 191 Q C 1.548 177.139 176.000 -0.682 0.000 0.910 191 Q CA 0.237 55.899 55.803 -0.235 0.000 0.946 191 Q CB -0.187 28.577 28.738 0.044 0.000 1.062 191 Q HN 0.776 nan 8.270 nan 0.000 0.503 192 W N -0.072 120.523 121.300 -1.176 0.000 2.331 192 W HA -0.131 4.530 4.660 0.002 0.000 0.291 192 W C 1.119 177.353 176.519 -0.474 0.000 1.214 192 W CA 1.217 57.739 57.345 -1.371 0.000 1.228 192 W CB -1.122 27.725 29.460 -1.021 0.000 1.135 192 W HN 0.078 nan 8.180 nan 0.000 0.537 193 G N 1.166 109.345 108.800 -1.036 0.000 2.464 193 G HA2 -0.184 3.777 3.960 0.002 0.000 0.217 193 G HA3 -0.184 3.777 3.960 0.002 0.000 0.217 193 G C 0.806 175.524 174.900 -0.303 0.000 1.138 193 G CA 0.073 44.652 45.100 -0.869 0.000 0.793 193 G HN 0.224 nan 8.290 nan 0.000 0.539 194 K N 0.280 120.588 120.400 -0.153 0.000 2.257 194 K HA 0.506 4.827 4.320 0.002 0.000 0.270 194 K C -1.656 175.067 176.600 0.205 0.000 1.098 194 K CA -0.594 55.712 56.287 0.031 0.000 0.943 194 K CB 0.295 32.836 32.500 0.067 0.000 1.316 194 K HN 0.082 nan 8.250 nan 0.000 0.447 195 L N 3.440 124.757 121.223 0.157 0.000 2.516 195 L HA 0.264 4.605 4.340 0.002 0.000 0.267 195 L C -1.475 175.396 176.870 0.002 0.000 0.957 195 L CA -0.399 54.541 54.840 0.166 0.000 0.860 195 L CB 1.993 44.225 42.059 0.289 0.000 1.265 195 L HN 0.497 nan 8.230 nan 0.000 0.403 196 Q N 3.448 123.196 119.800 -0.087 0.000 2.337 196 Q HA 0.514 4.855 4.340 0.002 0.000 0.255 196 Q C -1.563 174.096 176.000 -0.567 0.000 0.997 196 Q CA -0.115 55.460 55.803 -0.380 0.000 0.925 196 Q CB 1.092 29.491 28.738 -0.564 0.000 1.212 196 Q HN 0.517 nan 8.270 nan 0.000 0.436 197 V N 6.366 125.988 119.914 -0.485 0.000 2.333 197 V HA 0.351 4.472 4.120 0.002 0.000 0.274 197 V C -0.588 175.221 176.094 -0.475 0.000 1.028 197 V CA -0.527 61.539 62.300 -0.390 0.000 0.851 197 V CB 0.013 31.720 31.823 -0.195 0.000 1.000 197 V HN 0.622 nan 8.190 nan 0.000 0.456 198 F N 2.732 122.565 119.950 -0.195 0.000 2.404 198 F HA 0.338 4.866 4.527 0.002 0.000 0.358 198 F C 0.657 176.299 175.800 -0.264 0.000 1.120 198 F CA -0.979 56.898 58.000 -0.205 0.000 1.144 198 F CB 0.768 39.657 39.000 -0.186 0.000 1.133 198 F HN 0.413 nan 8.300 nan 0.000 0.495 199 D N 3.220 123.593 120.400 -0.046 0.000 2.352 199 D HA 0.340 4.981 4.640 0.002 0.000 0.245 199 D C 0.265 176.390 176.300 -0.292 0.000 1.224 199 D CA 0.144 54.045 54.000 -0.166 0.000 0.879 199 D CB 1.117 41.862 40.800 -0.092 0.000 1.057 199 D HN 0.626 nan 8.370 nan 0.000 0.491 200 A N 4.541 127.005 122.820 -0.593 0.000 2.535 200 A HA 0.132 4.453 4.320 0.002 0.000 0.273 200 A C 1.668 178.912 177.584 -0.566 0.000 1.267 200 A CA -0.337 51.039 52.037 -1.102 0.000 0.940 200 A CB 0.062 17.923 19.000 -1.898 0.000 1.101 200 A HN 0.534 nan 8.150 nan 0.000 0.521 201 R N 0.177 120.500 120.500 -0.295 0.000 2.285 201 R HA -0.086 4.255 4.340 0.002 0.000 0.213 201 R C 0.052 176.304 176.300 -0.081 0.000 1.068 201 R CA 1.012 57.028 56.100 -0.141 0.000 1.004 201 R CB -0.042 30.235 30.300 -0.040 0.000 0.873 201 R HN 0.445 nan 8.270 nan 0.000 0.467 202 D N 0.385 120.760 120.400 -0.042 0.000 2.943 202 D HA 0.055 4.696 4.640 0.002 0.000 0.249 202 D C -1.427 174.960 176.300 0.146 0.000 1.231 202 D CA -0.295 53.742 54.000 0.061 0.000 0.979 202 D CB -0.055 40.807 40.800 0.103 0.000 1.053 202 D HN 0.015 nan 8.370 nan 0.000 0.504 203 C N 1.415 120.766 119.300 0.085 0.000 2.481 203 C HA 0.623 5.084 4.460 0.002 0.000 0.324 203 C C 0.946 176.057 174.990 0.201 0.000 1.170 203 C CA -0.210 58.919 59.018 0.185 0.000 1.361 203 C CB 0.818 28.667 27.740 0.182 0.000 1.977 203 C HN 0.522 nan 8.230 nan 0.000 0.459 204 S N 2.213 118.082 115.700 0.280 0.000 2.733 204 S HA 0.343 4.814 4.470 0.002 0.000 0.247 204 S C 0.115 174.892 174.600 0.295 0.000 1.043 204 S CA 0.336 58.731 58.200 0.325 0.000 1.066 204 S CB -0.102 63.220 63.200 0.202 0.000 1.045 204 S HN 1.326 nan 8.310 nan 0.000 0.586 205 S N -0.318 115.547 115.700 0.275 0.000 2.651 205 S HA 0.842 5.313 4.470 0.002 0.000 0.279 205 S C 0.867 175.562 174.600 0.159 0.000 1.148 205 S CA -0.332 57.975 58.200 0.179 0.000 0.837 205 S CB 1.046 64.326 63.200 0.132 0.000 1.138 205 S HN 0.448 nan 8.310 nan 0.000 0.478 206 A N 0.525 123.409 122.820 0.107 0.000 1.930 206 A HA -0.054 4.267 4.320 0.002 0.000 0.217 206 A C 2.111 179.654 177.584 -0.070 0.000 1.175 206 A CA 2.044 54.121 52.037 0.067 0.000 0.627 206 A CB -1.175 17.939 19.000 0.190 0.000 0.815 206 A HN 0.850 nan 8.150 nan 0.000 0.443 207 Q N 0.287 120.127 119.800 0.067 0.000 2.084 207 Q HA -0.173 4.168 4.340 0.002 0.000 0.202 207 Q C 1.778 177.773 176.000 -0.009 0.000 0.978 207 Q CA 2.249 58.054 55.803 0.003 0.000 0.844 207 Q CB -0.353 28.483 28.738 0.163 0.000 0.898 207 Q HN 0.759 nan 8.270 nan 0.000 0.426 208 E N -0.751 119.493 120.200 0.074 0.000 2.150 208 E HA -0.145 4.206 4.350 0.002 0.000 0.193 208 E C 1.987 178.733 176.600 0.244 0.000 0.985 208 E CA 1.135 57.615 56.400 0.134 0.000 0.814 208 E CB -0.108 29.718 29.700 0.210 0.000 0.752 208 E HN 0.447 nan 8.360 nan 0.000 0.466 209 M N -0.097 119.601 119.600 0.165 0.000 2.117 209 M HA -0.158 4.323 4.480 0.002 0.000 0.262 209 M C 2.132 178.503 176.300 0.119 0.000 1.065 209 M CA 1.232 56.599 55.300 0.111 0.000 1.114 209 M CB -0.233 32.192 32.600 -0.293 0.000 1.361 209 M HN 0.118 nan 8.290 nan 0.000 0.408 210 F N 1.043 120.804 119.950 -0.314 0.000 2.134 210 F HA -0.184 4.344 4.527 0.002 0.000 0.299 210 F C 2.267 177.974 175.800 -0.155 0.000 1.097 210 F CA 1.751 59.518 58.000 -0.389 0.000 1.264 210 F CB -0.668 37.802 39.000 -0.884 0.000 1.001 210 F HN 0.035 nan 8.300 nan 0.000 0.479 211 T N -0.620 113.831 114.554 -0.172 0.000 2.737 211 T HA -0.208 4.143 4.350 0.002 0.000 0.265 211 T C 1.706 176.270 174.700 -0.228 0.000 1.038 211 T CA 1.759 63.695 62.100 -0.275 0.000 1.144 211 T CB -0.701 68.040 68.868 -0.213 0.000 0.866 211 T HN 0.262 nan 8.240 nan 0.000 0.434 212 Y N 1.032 121.285 120.300 -0.080 0.000 2.181 212 Y HA -0.015 4.536 4.550 0.002 0.000 0.288 212 Y C 2.217 178.059 175.900 -0.096 0.000 1.146 212 Y CA 0.536 58.582 58.100 -0.091 0.000 1.164 212 Y CB -0.546 37.921 38.460 0.011 0.000 0.982 212 Y HN 0.188 nan 8.280 nan 0.000 0.515 213 I N -1.623 119.038 120.570 0.153 0.000 2.179 213 I HA -0.363 3.808 4.170 0.002 0.000 0.242 213 I C 2.325 178.389 176.117 -0.089 0.000 1.088 213 I CA 1.076 62.406 61.300 0.051 0.000 1.357 213 I CB -0.494 37.536 38.000 0.050 0.000 1.051 213 I HN 0.261 nan 8.210 nan 0.000 0.409 214 C N 0.785 119.913 119.300 -0.285 0.000 2.413 214 C HA -0.139 4.322 4.460 0.002 0.000 0.277 214 C C 2.564 177.450 174.990 -0.173 0.000 1.265 214 C CA 0.887 59.717 59.018 -0.313 0.000 1.752 214 C CB -1.406 26.016 27.740 -0.530 0.000 1.998 214 C HN 0.549 nan 8.230 nan 0.000 0.489 215 N N -0.378 118.208 118.700 -0.189 0.000 2.331 215 N HA -0.100 4.641 4.740 0.002 0.000 0.180 215 N C 1.418 176.817 175.510 -0.185 0.000 1.019 215 N CA 1.083 54.009 53.050 -0.207 0.000 0.881 215 N CB -0.673 37.623 38.487 -0.317 0.000 0.972 215 N HN 0.754 nan 8.380 nan 0.000 0.435 216 H N 0.685 119.613 119.070 -0.235 0.000 2.326 216 H HA 0.115 4.672 4.556 0.002 0.000 0.301 216 H C 2.091 177.468 175.328 0.082 0.000 1.081 216 H CA 1.376 57.379 56.048 -0.074 0.000 1.334 216 H CB 0.007 29.772 29.762 0.005 0.000 1.385 216 H HN 0.050 nan 8.280 nan 0.000 0.504 217 I N 0.566 121.287 120.570 0.253 0.000 2.226 217 I HA -0.254 3.917 4.170 0.002 0.000 0.245 217 I C 2.463 178.649 176.117 0.116 0.000 1.100 217 I CA 1.321 62.726 61.300 0.175 0.000 1.374 217 I CB -0.259 37.773 38.000 0.053 0.000 1.057 217 I HN 0.299 nan 8.210 nan 0.000 0.413 218 K N -0.032 120.407 120.400 0.065 0.000 2.026 218 K HA -0.242 4.079 4.320 0.002 0.000 0.208 218 K C 2.245 178.894 176.600 0.083 0.000 1.048 218 K CA 1.812 58.127 56.287 0.046 0.000 0.929 218 K CB -0.327 32.179 32.500 0.010 0.000 0.713 218 K HN 0.239 nan 8.250 nan 0.000 0.439 219 Y N 1.135 121.447 120.300 0.020 0.000 2.114 219 Y HA -0.242 4.309 4.550 0.002 0.000 0.284 219 Y C 2.157 178.110 175.900 0.088 0.000 1.143 219 Y CA 1.609 59.754 58.100 0.076 0.000 1.135 219 Y CB -0.487 38.081 38.460 0.181 0.000 0.980 219 Y HN 0.055 nan 8.280 nan 0.000 0.499 220 A N -0.440 122.475 122.820 0.159 0.000 1.883 220 A HA -0.217 4.104 4.320 0.002 0.000 0.217 220 A C 2.214 179.824 177.584 0.044 0.000 1.186 220 A CA 2.540 54.637 52.037 0.099 0.000 0.624 220 A CB -1.436 17.697 19.000 0.220 0.000 0.822 220 A HN 0.553 nan 8.150 nan 0.000 0.444 221 T N -0.500 114.093 114.554 0.064 0.000 2.674 221 T HA -0.142 4.209 4.350 0.002 0.000 0.265 221 T C 1.041 175.740 174.700 -0.001 0.000 1.039 221 T CA 1.161 63.295 62.100 0.056 0.000 1.150 221 T CB -0.546 68.358 68.868 0.059 0.000 0.864 221 T HN 0.750 nan 8.240 nan 0.000 0.427 222 N N 0.774 119.446 118.700 -0.046 0.000 2.725 222 N HA -0.285 4.456 4.740 0.002 0.000 0.251 222 N C -0.347 175.136 175.510 -0.045 0.000 1.031 222 N CA 0.255 53.258 53.050 -0.079 0.000 0.720 222 N CB -0.515 37.882 38.487 -0.150 0.000 0.930 222 N HN 0.430 nan 8.380 nan 0.000 0.543 223 R N -2.561 117.924 120.500 -0.024 0.000 3.946 223 R HA -0.265 4.076 4.340 0.002 0.000 0.329 223 R C 1.208 177.493 176.300 -0.024 0.000 1.209 223 R CA 1.298 57.385 56.100 -0.022 0.000 0.909 223 R CB -2.061 28.223 30.300 -0.027 0.000 1.355 223 R HN 0.875 nan 8.270 nan 0.000 0.539 224 G N 0.032 108.824 108.800 -0.014 0.000 2.316 224 G HA2 -0.278 3.683 3.960 0.002 0.000 0.203 224 G HA3 -0.278 3.683 3.960 0.002 0.000 0.203 224 G C -0.106 174.784 174.900 -0.017 0.000 0.999 224 G CA 0.040 45.133 45.100 -0.011 0.000 0.649 224 G HN 0.404 nan 8.290 nan 0.000 0.489 225 N N 1.448 120.124 118.700 -0.039 0.000 3.229 225 N HA 0.411 5.152 4.740 0.002 0.000 0.275 225 N C 0.159 175.637 175.510 -0.053 0.000 1.225 225 N CA -0.653 52.356 53.050 -0.068 0.000 1.119 225 N CB -0.092 38.350 38.487 -0.075 0.000 1.392 225 N HN 0.115 nan 8.380 nan 0.000 0.520 226 L N 2.306 123.528 121.223 -0.002 0.000 2.573 226 L HA -0.007 4.334 4.340 0.002 0.000 0.290 226 L C 0.675 177.649 176.870 0.173 0.000 1.247 226 L CA 1.149 56.057 54.840 0.114 0.000 0.876 226 L CB 0.091 42.316 42.059 0.277 0.000 1.123 226 L HN 0.385 nan 8.230 nan 0.000 0.505 227 R N 1.427 122.023 120.500 0.161 0.000 2.561 227 R HA 0.453 4.794 4.340 0.002 0.000 0.297 227 R C -0.632 175.808 176.300 0.233 0.000 0.969 227 R CA -0.699 55.511 56.100 0.184 0.000 0.879 227 R CB 1.691 31.934 30.300 -0.095 0.000 1.178 227 R HN 0.559 nan 8.270 nan 0.000 0.445 228 S N 1.496 117.347 115.700 0.252 0.000 2.533 228 S HA 0.473 4.944 4.470 0.002 0.000 0.282 228 S C -0.299 174.352 174.600 0.085 0.000 1.304 228 S CA -0.278 57.974 58.200 0.087 0.000 1.063 228 S CB 1.190 64.385 63.200 -0.008 0.000 0.881 228 S HN 0.684 nan 8.310 nan 0.000 0.493 229 A N 2.991 125.823 122.820 0.020 0.000 2.587 229 A HA 0.845 5.166 4.320 0.002 0.000 0.293 229 A C -1.206 176.406 177.584 0.047 0.000 1.087 229 A CA -0.674 51.317 52.037 -0.076 0.000 0.692 229 A CB 1.262 20.158 19.000 -0.173 0.000 1.291 229 A HN 0.807 nan 8.150 nan 0.000 0.407 230 I N 0.562 121.161 120.570 0.050 0.000 2.656 230 I HA 0.579 4.750 4.170 0.002 0.000 0.292 230 I C -1.184 175.058 176.117 0.209 0.000 1.144 230 I CA -0.119 61.337 61.300 0.260 0.000 1.038 230 I CB 2.365 40.465 38.000 0.166 0.000 1.244 230 I HN 0.597 nan 8.210 nan 0.000 0.420 231 T N 6.479 121.194 114.554 0.269 0.000 2.770 231 T HA 0.421 4.772 4.350 0.002 0.000 0.283 231 T C -0.621 173.918 174.700 -0.269 0.000 0.988 231 T CA -0.345 61.753 62.100 -0.003 0.000 0.957 231 T CB 1.444 70.277 68.868 -0.059 0.000 0.930 231 T HN 0.267 nan 8.240 nan 0.000 0.443 232 V N 5.363 125.044 119.914 -0.388 0.000 2.318 232 V HA 0.429 4.550 4.120 0.002 0.000 0.271 232 V C -0.241 175.576 176.094 -0.461 0.000 1.030 232 V CA -0.776 61.299 62.300 -0.375 0.000 0.844 232 V CB -0.326 31.212 31.823 -0.475 0.000 1.015 232 V HN 0.715 nan 8.190 nan 0.000 0.460 233 F N 5.292 125.162 119.950 -0.133 0.000 2.368 233 F HA 0.450 4.978 4.527 0.002 0.000 0.308 233 F C -1.736 173.969 175.800 -0.157 0.000 1.198 233 F CA -2.311 55.552 58.000 -0.227 0.000 1.130 233 F CB 0.079 38.967 39.000 -0.187 0.000 1.300 233 F HN 0.291 nan 8.300 nan 0.000 0.537 234 P HA -0.020 nan 4.420 nan 0.000 0.262 234 P C -0.985 176.327 177.300 0.020 0.000 1.182 234 P CA -0.070 62.910 63.100 -0.200 0.000 0.761 234 P CB 0.180 31.482 31.700 -0.662 0.000 0.795 235 Q N 3.857 123.653 119.800 -0.007 0.000 2.524 235 Q HA 0.112 4.453 4.340 0.002 0.000 0.246 235 Q C -0.241 175.674 176.000 -0.141 0.000 1.063 235 Q CA -0.226 55.357 55.803 -0.366 0.000 0.945 235 Q CB 0.520 28.780 28.738 -0.796 0.000 1.292 235 Q HN 0.357 nan 8.270 nan 0.000 0.518 236 R N 0.047 120.428 120.500 -0.199 0.000 2.490 236 R HA 0.497 4.838 4.340 0.002 0.000 0.280 236 R C -0.738 175.512 176.300 -0.084 0.000 1.077 236 R CA 0.007 56.065 56.100 -0.070 0.000 1.065 236 R CB 0.879 31.130 30.300 -0.083 0.000 1.003 236 R HN 0.709 nan 8.270 nan 0.000 0.470 237 A N 4.215 127.027 122.820 -0.013 0.000 2.355 237 A HA 0.509 4.830 4.320 0.002 0.000 0.317 237 A C -2.337 175.244 177.584 -0.005 0.000 1.094 237 A CA -1.942 50.089 52.037 -0.010 0.000 0.764 237 A CB 1.167 20.190 19.000 0.040 0.000 1.230 237 A HN 0.470 nan 8.150 nan 0.000 0.448 238 P HA 0.233 nan 4.420 nan 0.000 0.268 238 P C 0.725 178.029 177.300 0.006 0.000 1.204 238 P CA 1.500 64.596 63.100 -0.006 0.000 0.768 238 P CB 0.729 32.425 31.700 -0.006 0.000 0.842 239 G N 1.898 110.701 108.800 0.005 0.000 2.298 239 G HA2 -0.238 3.723 3.960 0.002 0.000 0.287 239 G HA3 -0.238 3.723 3.960 0.002 0.000 0.287 239 G C 0.007 174.914 174.900 0.012 0.000 1.075 239 G CA 0.115 45.220 45.100 0.009 0.000 0.960 239 G HN 0.898 nan 8.290 nan 0.000 0.502 240 R N -0.839 119.667 120.500 0.010 0.000 2.725 240 R HA 0.488 4.829 4.340 0.002 0.000 0.254 240 R C 0.607 176.909 176.300 0.004 0.000 1.076 240 R CA -0.146 55.960 56.100 0.010 0.000 0.940 240 R CB 0.367 30.681 30.300 0.024 0.000 1.260 240 R HN 0.869 nan 8.270 nan 0.000 0.466 241 G N 1.636 110.429 108.800 -0.012 0.000 2.664 241 G HA2 0.121 4.082 3.960 0.002 0.000 0.242 241 G HA3 0.121 4.082 3.960 0.002 0.000 0.242 241 G C -0.481 174.405 174.900 -0.024 0.000 1.225 241 G CA -0.236 44.853 45.100 -0.018 0.000 0.849 241 G HN 0.565 nan 8.290 nan 0.000 0.581 242 D N -0.669 119.732 120.400 0.003 0.000 2.294 242 D HA 0.357 4.998 4.640 0.002 0.000 0.250 242 D C -0.332 175.979 176.300 0.019 0.000 1.058 242 D CA -0.040 53.996 54.000 0.060 0.000 0.950 242 D CB 1.123 41.971 40.800 0.080 0.000 1.158 242 D HN 0.102 nan 8.370 nan 0.000 0.453 243 F N 1.257 121.238 119.950 0.052 0.000 2.410 243 F HA 0.328 4.856 4.527 0.002 0.000 0.348 243 F C 0.980 176.809 175.800 0.049 0.000 1.106 243 F CA -0.004 58.015 58.000 0.031 0.000 1.163 243 F CB 0.674 39.688 39.000 0.024 0.000 1.129 243 F HN -0.201 nan 8.300 nan 0.000 0.516 244 R N 3.969 124.584 120.500 0.192 0.000 2.651 244 R HA 0.496 4.837 4.340 0.002 0.000 0.278 244 R C -1.303 175.141 176.300 0.240 0.000 1.010 244 R CA -0.819 55.414 56.100 0.221 0.000 0.896 244 R CB 2.265 32.730 30.300 0.276 0.000 1.211 244 R HN 0.623 nan 8.270 nan 0.000 0.456 245 I N 2.194 122.889 120.570 0.209 0.000 2.328 245 I HA 0.151 4.322 4.170 0.002 0.000 0.287 245 I C 0.528 176.846 176.117 0.335 0.000 1.012 245 I CA -0.438 60.978 61.300 0.193 0.000 1.195 245 I CB 1.041 39.096 38.000 0.091 0.000 1.350 245 I HN 0.525 nan 8.210 nan 0.000 0.464 246 W N 3.590 124.930 121.300 0.066 0.000 2.374 246 W HA -0.110 4.551 4.660 0.002 0.000 0.288 246 W C 0.956 177.581 176.519 0.177 0.000 1.218 246 W CA 0.127 57.579 57.345 0.178 0.000 1.245 246 W CB -0.928 28.605 29.460 0.122 0.000 1.126 246 W HN 0.412 nan 8.180 nan 0.000 0.545 247 N N -0.012 118.844 118.700 0.261 0.000 2.479 247 N HA 0.015 4.756 4.740 0.002 0.000 0.257 247 N C 1.311 176.882 175.510 0.102 0.000 1.232 247 N CA 0.841 53.968 53.050 0.128 0.000 0.920 247 N CB 0.761 39.263 38.487 0.025 0.000 1.105 247 N HN -0.106 nan 8.380 nan 0.000 0.444 248 S N 0.673 116.424 115.700 0.085 0.000 2.436 248 S HA -0.025 4.446 4.470 0.002 0.000 0.228 248 S C 0.332 174.929 174.600 -0.006 0.000 1.014 248 S CA 0.652 58.890 58.200 0.063 0.000 0.950 248 S CB 0.059 63.315 63.200 0.093 0.000 0.784 248 S HN 0.647 nan 8.310 nan 0.000 0.504 249 Q N -0.848 118.929 119.800 -0.038 0.000 2.456 249 Q HA 0.497 4.838 4.340 0.002 0.000 0.284 249 Q C 0.108 176.020 176.000 -0.147 0.000 1.061 249 Q CA -0.580 55.158 55.803 -0.109 0.000 0.799 249 Q CB 1.858 30.549 28.738 -0.077 0.000 1.445 249 Q HN 0.097 nan 8.270 nan 0.000 0.411 250 L N 0.037 121.148 121.223 -0.187 0.000 2.141 250 L HA 0.042 4.383 4.340 0.002 0.000 0.209 250 L C 0.335 177.055 176.870 -0.250 0.000 1.094 250 L CA 0.803 55.536 54.840 -0.179 0.000 0.763 250 L CB 0.169 42.122 42.059 -0.177 0.000 0.908 250 L HN 0.249 nan 8.230 nan 0.000 0.437 251 V N 0.663 120.333 119.914 -0.407 0.000 2.483 251 V HA 0.505 4.626 4.120 0.002 0.000 0.297 251 V C -0.253 175.265 176.094 -0.959 0.000 1.027 251 V CA -0.706 61.175 62.300 -0.699 0.000 0.855 251 V CB 1.782 33.064 31.823 -0.902 0.000 0.995 251 V HN 0.169 nan 8.190 nan 0.000 0.424 252 R N 2.520 122.603 120.500 -0.696 0.000 2.739 252 R HA 0.544 4.885 4.340 0.002 0.000 0.271 252 R C -1.888 174.179 176.300 -0.390 0.000 1.010 252 R CA -0.833 54.993 56.100 -0.457 0.000 0.897 252 R CB 2.566 32.768 30.300 -0.163 0.000 1.236 252 R HN 0.577 nan 8.270 nan 0.000 0.466 253 Y N 0.071 120.369 120.300 -0.003 0.000 2.352 253 Y HA 0.502 5.053 4.550 0.002 0.000 0.326 253 Y C 0.831 176.698 175.900 -0.055 0.000 1.166 253 Y CA -0.621 57.485 58.100 0.010 0.000 1.182 253 Y CB 1.344 39.872 38.460 0.113 0.000 1.216 253 Y HN 0.694 nan 8.280 nan 0.000 0.474 254 A N 1.178 124.032 122.820 0.057 0.000 2.425 254 A HA 0.572 4.893 4.320 0.002 0.000 0.242 254 A C 0.524 177.876 177.584 -0.386 0.000 1.077 254 A CA 0.237 52.147 52.037 -0.211 0.000 0.781 254 A CB -0.263 18.540 19.000 -0.329 0.000 1.020 254 A HN 0.960 nan 8.150 nan 0.000 0.494 255 G N 0.701 109.261 108.800 -0.401 0.000 2.814 255 G HA2 0.525 4.486 3.960 0.002 0.000 0.300 255 G HA3 0.525 4.486 3.960 0.002 0.000 0.300 255 G C -1.160 173.588 174.900 -0.254 0.000 1.406 255 G CA -0.241 44.676 45.100 -0.305 0.000 1.041 255 G HN 0.478 nan 8.290 nan 0.000 0.532 256 Y N 1.105 121.418 120.300 0.021 0.000 2.383 256 Y HA 0.385 4.936 4.550 0.002 0.000 0.344 256 Y C 1.047 176.946 175.900 -0.001 0.000 0.986 256 Y CA -1.261 56.850 58.100 0.019 0.000 1.175 256 Y CB 1.159 39.624 38.460 0.009 0.000 1.152 256 Y HN 0.475 nan 8.280 nan 0.000 0.511 257 R N 3.256 123.841 120.500 0.141 0.000 2.357 257 R HA 0.082 4.423 4.340 0.002 0.000 0.330 257 R C -0.481 175.861 176.300 0.071 0.000 1.102 257 R CA 0.059 56.206 56.100 0.077 0.000 0.974 257 R CB 0.002 30.335 30.300 0.056 0.000 1.002 257 R HN 0.676 nan 8.270 nan 0.000 0.463 258 Q N 4.000 123.835 119.800 0.058 0.000 2.323 258 Q HA -0.048 4.293 4.340 0.002 0.000 0.257 258 Q C 0.720 176.732 176.000 0.019 0.000 1.022 258 Q CA -0.234 55.590 55.803 0.036 0.000 0.919 258 Q CB 1.376 30.134 28.738 0.032 0.000 1.220 258 Q HN 0.744 nan 8.270 nan 0.000 0.427 259 Q N 2.412 122.219 119.800 0.011 0.000 2.629 259 Q HA -0.415 3.926 4.340 0.002 0.000 0.236 259 Q C 0.190 176.195 176.000 0.007 0.000 1.166 259 Q CA 2.640 58.446 55.803 0.005 0.000 1.024 259 Q CB -1.185 27.552 28.738 -0.002 0.000 0.949 259 Q HN 0.745 nan 8.270 nan 0.000 0.570 260 D N 0.842 121.246 120.400 0.007 0.000 2.411 260 D HA 0.023 4.664 4.640 0.002 0.000 0.226 260 D C 1.543 177.849 176.300 0.010 0.000 0.988 260 D CA 1.437 55.441 54.000 0.007 0.000 0.938 260 D CB -0.115 40.689 40.800 0.005 0.000 0.883 260 D HN 0.780 nan 8.370 nan 0.000 0.525 261 G N 0.746 109.554 108.800 0.013 0.000 2.258 261 G HA2 -0.330 3.631 3.960 0.002 0.000 0.233 261 G HA3 -0.330 3.631 3.960 0.002 0.000 0.233 261 G C 0.695 175.604 174.900 0.016 0.000 1.006 261 G CA 0.490 45.599 45.100 0.015 0.000 0.620 261 G HN 0.630 nan 8.290 nan 0.000 0.511 262 S N -0.734 114.974 115.700 0.013 0.000 2.634 262 S HA 0.639 5.110 4.470 0.002 0.000 0.254 262 S C 0.152 174.758 174.600 0.010 0.000 1.299 262 S CA 0.397 58.603 58.200 0.010 0.000 0.974 262 S CB 1.813 65.018 63.200 0.008 0.000 1.001 262 S HN 1.289 nan 8.310 nan 0.000 0.584 263 V N 0.678 120.589 119.914 -0.004 0.000 2.733 263 V HA 0.521 4.642 4.120 0.002 0.000 0.306 263 V C -0.290 175.785 176.094 -0.033 0.000 1.084 263 V CA -0.783 61.508 62.300 -0.014 0.000 0.905 263 V CB 1.834 33.629 31.823 -0.046 0.000 1.010 263 V HN 0.933 nan 8.190 nan 0.000 0.424 264 R N 2.615 123.120 120.500 0.009 0.000 2.229 264 R HA 0.677 5.018 4.340 0.002 0.000 0.332 264 R C 0.466 176.721 176.300 -0.074 0.000 0.989 264 R CA 0.924 57.033 56.100 0.014 0.000 0.842 264 R CB 0.937 31.315 30.300 0.130 0.000 1.119 264 R HN 1.268 nan 8.270 nan 0.000 0.456 265 G N 2.857 111.527 108.800 -0.216 0.000 2.416 265 G HA2 -0.231 3.730 3.960 0.002 0.000 0.203 265 G HA3 -0.231 3.730 3.960 0.002 0.000 0.203 265 G C -1.413 173.098 174.900 -0.649 0.000 1.227 265 G CA -0.323 44.565 45.100 -0.353 0.000 1.041 265 G HN 0.600 nan 8.290 nan 0.000 0.546 266 D N 1.407 121.534 120.400 -0.456 0.000 2.339 266 D HA 0.539 5.180 4.640 0.002 0.000 0.241 266 D C -1.005 175.176 176.300 -0.198 0.000 1.183 266 D CA -1.962 51.801 54.000 -0.394 0.000 0.859 266 D CB 1.433 42.295 40.800 0.103 0.000 1.067 266 D HN -0.012 nan 8.370 nan 0.000 0.484 267 P HA -0.085 nan 4.420 nan 0.000 0.221 267 P C 0.791 178.091 177.300 -0.001 0.000 1.145 267 P CA 0.881 63.934 63.100 -0.079 0.000 0.795 267 P CB 0.284 31.948 31.700 -0.060 0.000 0.775 268 A N -0.711 122.125 122.820 0.027 0.000 2.168 268 A HA -0.085 4.236 4.320 0.002 0.000 0.215 268 A C 1.581 179.213 177.584 0.080 0.000 1.152 268 A CA 1.202 53.290 52.037 0.084 0.000 0.716 268 A CB -0.737 18.334 19.000 0.120 0.000 0.794 268 A HN 0.148 nan 8.150 nan 0.000 0.465 269 N N -0.589 118.138 118.700 0.045 0.000 2.204 269 N HA 0.118 4.859 4.740 0.002 0.000 0.219 269 N C 1.114 176.620 175.510 -0.006 0.000 1.151 269 N CA 0.184 53.251 53.050 0.028 0.000 0.867 269 N CB 0.654 39.153 38.487 0.021 0.000 1.043 269 N HN 0.171 nan 8.380 nan 0.000 0.516 270 V N 1.183 121.096 119.914 -0.001 0.000 2.332 270 V HA -0.251 3.870 4.120 0.002 0.000 0.248 270 V C 2.424 178.523 176.094 0.008 0.000 1.055 270 V CA 1.846 64.145 62.300 -0.000 0.000 1.038 270 V CB -0.248 31.584 31.823 0.015 0.000 0.651 270 V HN 0.377 nan 8.190 nan 0.000 0.450 271 E N -0.468 119.742 120.200 0.016 0.000 2.028 271 E HA -0.240 4.111 4.350 0.002 0.000 0.191 271 E C 2.133 178.652 176.600 -0.135 0.000 0.988 271 E CA 1.563 57.951 56.400 -0.021 0.000 0.799 271 E CB -0.148 29.595 29.700 0.071 0.000 0.755 271 E HN 0.490 nan 8.360 nan 0.000 0.447 272 I N 0.726 121.228 120.570 -0.113 0.000 2.493 272 I HA -0.193 3.978 4.170 0.002 0.000 0.254 272 I C 1.998 178.058 176.117 -0.095 0.000 1.160 272 I CA 1.388 62.588 61.300 -0.167 0.000 1.445 272 I CB -0.235 37.724 38.000 -0.067 0.000 1.086 272 I HN 0.083 nan 8.210 nan 0.000 0.433 273 T N 0.432 114.965 114.554 -0.034 0.000 2.737 273 T HA -0.118 4.233 4.350 0.002 0.000 0.265 273 T C 1.787 176.566 174.700 0.132 0.000 1.038 273 T CA 1.348 63.483 62.100 0.059 0.000 1.144 273 T CB -0.183 68.714 68.868 0.048 0.000 0.866 273 T HN 0.312 nan 8.240 nan 0.000 0.434 274 E N 1.187 121.426 120.200 0.065 0.000 2.077 274 E HA -0.021 4.330 4.350 0.002 0.000 0.193 274 E C 2.296 178.929 176.600 0.055 0.000 0.989 274 E CA 0.746 57.187 56.400 0.068 0.000 0.800 274 E CB -0.488 29.227 29.700 0.025 0.000 0.746 274 E HN 0.463 nan 8.360 nan 0.000 0.452 275 L N -0.026 121.187 121.223 -0.017 0.000 2.093 275 L HA -0.191 4.150 4.340 0.002 0.000 0.208 275 L C 2.670 179.620 176.870 0.133 0.000 1.085 275 L CA 0.847 55.705 54.840 0.030 0.000 0.755 275 L CB -0.394 41.588 42.059 -0.130 0.000 0.904 275 L HN 0.175 nan 8.230 nan 0.000 0.435 276 C N -0.037 119.304 119.300 0.069 0.000 2.429 276 C HA -0.145 4.316 4.460 0.002 0.000 0.277 276 C C 2.713 177.865 174.990 0.269 0.000 1.262 276 C CA 0.515 59.586 59.018 0.088 0.000 1.733 276 C CB -0.622 27.096 27.740 -0.036 0.000 2.010 276 C HN 0.427 nan 8.230 nan 0.000 0.483 277 I N 0.332 121.089 120.570 0.311 0.000 2.315 277 I HA -0.229 3.942 4.170 0.002 0.000 0.248 277 I C 2.734 178.925 176.117 0.123 0.000 1.117 277 I CA 1.400 62.847 61.300 0.245 0.000 1.404 277 I CB -0.719 37.390 38.000 0.181 0.000 1.071 277 I HN 0.452 nan 8.210 nan 0.000 0.419 278 Q N 0.575 120.436 119.800 0.101 0.000 2.291 278 Q HA -0.221 4.120 4.340 0.002 0.000 0.206 278 Q C 0.950 176.890 176.000 -0.101 0.000 0.976 278 Q CA 1.519 57.324 55.803 0.004 0.000 0.875 278 Q CB 0.041 28.787 28.738 0.013 0.000 0.927 278 Q HN 0.585 nan 8.270 nan 0.000 0.450 279 H N -1.834 117.223 119.070 -0.022 0.000 2.524 279 H HA 0.286 4.843 4.556 0.002 0.000 0.299 279 H C 0.586 175.886 175.328 -0.047 0.000 1.074 279 H CA 0.588 56.596 56.048 -0.067 0.000 1.115 279 H CB 0.883 30.561 29.762 -0.141 0.000 1.522 279 H HN 0.447 nan 8.280 nan 0.000 0.543 280 G N -0.225 108.612 108.800 0.061 0.000 2.194 280 G HA2 -0.277 3.684 3.960 0.002 0.000 0.236 280 G HA3 -0.277 3.684 3.960 0.002 0.000 0.236 280 G C 0.111 175.078 174.900 0.110 0.000 0.987 280 G CA -0.118 45.009 45.100 0.045 0.000 0.635 280 G HN 0.395 nan 8.290 nan 0.000 0.520 281 W N 3.722 125.000 121.300 -0.037 0.000 2.251 281 W HA 0.528 5.189 4.660 0.002 0.000 0.327 281 W C 1.036 177.545 176.519 -0.016 0.000 1.361 281 W CA 0.310 57.637 57.345 -0.030 0.000 1.234 281 W CB 0.522 29.974 29.460 -0.013 0.000 1.212 281 W HN 0.518 nan 8.180 nan 0.000 0.557 282 T N 7.129 121.421 114.554 -0.436 0.000 2.723 282 T HA 0.390 4.741 4.350 0.002 0.000 0.297 282 T C -2.028 171.971 174.700 -1.169 0.000 0.925 282 T CA -1.671 60.101 62.100 -0.547 0.000 1.030 282 T CB 0.874 69.560 68.868 -0.304 0.000 0.905 282 T HN 0.357 nan 8.240 nan 0.000 0.502 283 P HA 0.381 nan 4.420 nan 0.000 0.274 283 P C 0.513 177.376 177.300 -0.727 0.000 1.246 283 P CA -0.216 62.115 63.100 -1.282 0.000 0.795 283 P CB 0.963 32.229 31.700 -0.722 0.000 1.006 284 G N 0.715 109.225 108.800 -0.484 0.000 2.736 284 G HA2 0.325 4.286 3.960 0.002 0.000 0.229 284 G HA3 0.325 4.286 3.960 0.002 0.000 0.229 284 G C 0.192 174.824 174.900 -0.446 0.000 1.380 284 G CA -0.499 44.457 45.100 -0.240 0.000 1.040 284 G HN 0.712 nan 8.290 nan 0.000 0.568 285 N N -0.783 117.811 118.700 -0.177 0.000 2.361 285 N HA 0.189 4.930 4.740 0.002 0.000 0.253 285 N C 0.283 175.843 175.510 0.083 0.000 1.413 285 N CA 0.119 53.057 53.050 -0.186 0.000 0.821 285 N CB 0.364 38.734 38.487 -0.195 0.000 1.380 285 N HN 0.680 nan 8.380 nan 0.000 0.493 286 G N 0.350 109.284 108.800 0.224 0.000 2.531 286 G HA2 0.396 4.357 3.960 0.002 0.000 0.313 286 G HA3 0.396 4.357 3.960 0.002 0.000 0.313 286 G C 0.478 175.475 174.900 0.162 0.000 1.238 286 G CA -0.677 44.534 45.100 0.184 0.000 0.994 286 G HN 0.143 nan 8.290 nan 0.000 0.493 287 R N -1.253 119.254 120.500 0.012 0.000 2.254 287 R HA 0.145 4.486 4.340 0.002 0.000 0.195 287 R C -0.215 175.718 176.300 -0.612 0.000 0.957 287 R CA 0.541 56.476 56.100 -0.276 0.000 1.024 287 R CB 0.217 30.267 30.300 -0.417 0.000 0.952 287 R HN 0.377 nan 8.270 nan 0.000 0.484 288 F N 0.885 120.796 119.950 -0.065 0.000 2.623 288 F HA 0.263 4.791 4.527 0.002 0.000 0.361 288 F C -0.710 175.078 175.800 -0.019 0.000 1.469 288 F CA -1.138 56.593 58.000 -0.447 0.000 1.126 288 F CB 0.639 39.218 39.000 -0.702 0.000 1.221 288 F HN -0.286 nan 8.300 nan 0.000 0.536 289 D N 1.572 122.156 120.400 0.307 0.000 2.313 289 D HA 0.213 4.854 4.640 0.002 0.000 0.239 289 D C 0.192 176.744 176.300 0.421 0.000 1.142 289 D CA 0.054 54.291 54.000 0.395 0.000 0.847 289 D CB 2.126 43.203 40.800 0.463 0.000 1.082 289 D HN -0.063 nan 8.370 nan 0.000 0.480 290 V N 3.677 123.802 119.914 0.352 0.000 2.599 290 V HA -0.030 4.091 4.120 0.002 0.000 0.300 290 V C 1.009 177.098 176.094 -0.009 0.000 1.034 290 V CA -0.099 62.274 62.300 0.122 0.000 1.115 290 V CB 0.206 32.059 31.823 0.050 0.000 0.934 290 V HN 0.349 nan 8.190 nan 0.000 0.485 291 L N 8.067 129.183 121.223 -0.178 0.000 2.418 291 L HA 0.396 4.737 4.340 0.002 0.000 0.265 291 L C -1.691 174.916 176.870 -0.438 0.000 1.143 291 L CA -1.441 53.144 54.840 -0.424 0.000 0.809 291 L CB 1.242 43.092 42.059 -0.348 0.000 1.124 291 L HN 0.500 nan 8.230 nan 0.000 0.456 292 P HA 0.271 nan 4.420 nan 0.000 0.278 292 P C -1.163 175.956 177.300 -0.302 0.000 1.266 292 P CA -0.537 62.286 63.100 -0.461 0.000 0.807 292 P CB 1.085 32.373 31.700 -0.686 0.000 1.094 293 L N 0.746 121.883 121.223 -0.143 0.000 2.343 293 L HA 0.430 4.771 4.340 0.002 0.000 0.275 293 L C 0.419 177.248 176.870 -0.068 0.000 1.056 293 L CA -0.802 54.004 54.840 -0.056 0.000 0.804 293 L CB 0.652 42.751 42.059 0.067 0.000 1.203 293 L HN 0.196 nan 8.230 nan 0.000 0.440 294 L N 4.612 125.781 121.223 -0.089 0.000 2.313 294 L HA 0.453 4.794 4.340 0.002 0.000 0.273 294 L C -0.709 176.054 176.870 -0.179 0.000 1.028 294 L CA -0.203 54.493 54.840 -0.240 0.000 0.871 294 L CB 0.958 42.782 42.059 -0.390 0.000 1.242 294 L HN 0.434 nan 8.230 nan 0.000 0.434 295 L N 3.704 124.883 121.223 -0.072 0.000 2.295 295 L HA 0.488 4.829 4.340 0.002 0.000 0.285 295 L C -0.168 176.636 176.870 -0.111 0.000 1.035 295 L CA -0.297 54.519 54.840 -0.041 0.000 0.806 295 L CB 1.676 43.733 42.059 -0.004 0.000 1.214 295 L HN 0.567 nan 8.230 nan 0.000 0.426 296 Q N 2.683 122.433 119.800 -0.084 0.000 2.325 296 Q HA 0.660 5.001 4.340 0.002 0.000 0.270 296 Q C -1.110 174.817 176.000 -0.122 0.000 1.020 296 Q CA -0.588 55.160 55.803 -0.091 0.000 0.785 296 Q CB 2.169 30.922 28.738 0.024 0.000 1.259 296 Q HN 0.784 nan 8.270 nan 0.000 0.452 297 A N 4.930 127.631 122.820 -0.200 0.000 2.279 297 A HA 0.637 4.958 4.320 0.002 0.000 0.303 297 A C -2.414 174.901 177.584 -0.448 0.000 1.108 297 A CA -1.661 50.096 52.037 -0.467 0.000 0.830 297 A CB 0.165 19.013 19.000 -0.254 0.000 1.106 297 A HN 0.634 nan 8.150 nan 0.000 0.493 298 P HA -0.013 nan 4.420 nan 0.000 0.259 298 P C -0.632 176.571 177.300 -0.161 0.000 1.163 298 P CA 0.946 63.839 63.100 -0.345 0.000 0.760 298 P CB 0.070 31.574 31.700 -0.326 0.000 0.762 299 D N 0.246 120.598 120.400 -0.081 0.000 2.811 299 D HA -0.183 4.458 4.640 0.002 0.000 0.231 299 D C 0.034 176.319 176.300 -0.024 0.000 1.157 299 D CA 1.289 55.271 54.000 -0.029 0.000 0.716 299 D CB -0.473 40.314 40.800 -0.022 0.000 1.077 299 D HN 0.457 nan 8.370 nan 0.000 0.428 300 E N -0.731 119.446 120.200 -0.038 0.000 2.336 300 E HA 0.680 5.031 4.350 0.002 0.000 0.267 300 E C -0.045 176.539 176.600 -0.026 0.000 0.906 300 E CA -0.776 55.603 56.400 -0.035 0.000 0.781 300 E CB 1.771 31.435 29.700 -0.061 0.000 1.261 300 E HN 0.127 nan 8.360 nan 0.000 0.436 301 A N 2.823 125.626 122.820 -0.028 0.000 2.407 301 A HA 0.405 4.726 4.320 0.002 0.000 0.248 301 A C -2.021 175.455 177.584 -0.180 0.000 1.082 301 A CA -0.946 51.064 52.037 -0.045 0.000 0.785 301 A CB -0.423 18.579 19.000 0.004 0.000 1.020 301 A HN 0.282 nan 8.150 nan 0.000 0.489 302 P HA 0.172 nan 4.420 nan 0.000 0.269 302 P C -0.649 176.380 177.300 -0.451 0.000 1.215 302 P CA 0.170 62.881 63.100 -0.649 0.000 0.780 302 P CB 0.720 31.514 31.700 -1.509 0.000 0.898 303 E N 0.685 120.695 120.200 -0.317 0.000 2.207 303 E HA 0.442 4.793 4.350 0.002 0.000 0.270 303 E C -0.799 175.492 176.600 -0.515 0.000 0.927 303 E CA -1.071 55.118 56.400 -0.352 0.000 0.799 303 E CB 1.464 31.013 29.700 -0.252 0.000 1.172 303 E HN 0.275 nan 8.360 nan 0.000 0.404 304 L N 3.014 123.830 121.223 -0.679 0.000 2.276 304 L HA 0.414 4.755 4.340 0.002 0.000 0.286 304 L C -1.591 174.693 176.870 -0.977 0.000 1.061 304 L CA 0.118 54.597 54.840 -0.601 0.000 0.807 304 L CB 0.134 41.987 42.059 -0.343 0.000 1.177 304 L HN 0.408 nan 8.230 nan 0.000 0.429 305 F N 4.396 124.110 119.950 -0.392 0.000 2.539 305 F HA 0.411 4.939 4.527 0.002 0.000 0.328 305 F C -0.260 175.282 175.800 -0.431 0.000 1.148 305 F CA -0.921 56.697 58.000 -0.636 0.000 0.940 305 F CB 1.650 39.910 39.000 -1.234 0.000 1.194 305 F HN -0.007 nan 8.300 nan 0.000 0.438 306 V N 5.029 124.854 119.914 -0.148 0.000 2.455 306 V HA 0.186 4.307 4.120 0.002 0.000 0.273 306 V C 0.373 176.567 176.094 0.166 0.000 1.045 306 V CA -0.548 61.748 62.300 -0.007 0.000 0.976 306 V CB 0.973 32.823 31.823 0.046 0.000 0.993 306 V HN 0.562 nan 8.190 nan 0.000 0.475 307 L N 7.818 129.155 121.223 0.190 0.000 2.453 307 L HA 0.238 4.579 4.340 0.002 0.000 0.272 307 L C -2.017 174.955 176.870 0.170 0.000 1.182 307 L CA -1.365 53.627 54.840 0.254 0.000 0.858 307 L CB 0.569 42.701 42.059 0.122 0.000 1.120 307 L HN 0.451 nan 8.230 nan 0.000 0.474 308 P HA 0.082 nan 4.420 nan 0.000 0.267 308 P C -2.054 175.288 177.300 0.070 0.000 1.209 308 P CA -0.976 62.188 63.100 0.106 0.000 0.763 308 P CB 0.460 32.207 31.700 0.078 0.000 0.816 309 P HA -0.226 nan 4.420 nan 0.000 0.217 309 P C 1.345 178.672 177.300 0.045 0.000 1.148 309 P CA 1.293 64.430 63.100 0.062 0.000 0.828 309 P CB -0.135 31.606 31.700 0.068 0.000 0.783 310 E N -0.449 119.774 120.200 0.038 0.000 2.268 310 E HA -0.134 4.217 4.350 0.002 0.000 0.195 310 E C 1.538 178.149 176.600 0.019 0.000 0.995 310 E CA 1.081 57.496 56.400 0.026 0.000 0.836 310 E CB -1.004 28.708 29.700 0.021 0.000 0.763 310 E HN 0.238 nan 8.360 nan 0.000 0.491 311 L N 1.013 122.247 121.223 0.018 0.000 2.270 311 L HA 0.026 4.367 4.340 0.002 0.000 0.210 311 L C 0.890 177.769 176.870 0.016 0.000 1.104 311 L CA 0.585 55.431 54.840 0.009 0.000 0.804 311 L CB 0.283 42.337 42.059 -0.009 0.000 0.937 311 L HN -0.102 nan 8.230 nan 0.000 0.450 312 V N 1.737 121.663 119.914 0.021 0.000 2.322 312 V HA 0.157 4.278 4.120 0.002 0.000 0.258 312 V C -0.044 176.075 176.094 0.042 0.000 1.074 312 V CA -0.671 61.642 62.300 0.021 0.000 0.909 312 V CB 0.743 32.571 31.823 0.009 0.000 1.090 312 V HN -0.005 nan 8.190 nan 0.000 0.486 313 L N 5.698 126.952 121.223 0.051 0.000 2.319 313 L HA 0.456 4.797 4.340 0.002 0.000 0.280 313 L C 0.146 177.055 176.870 0.064 0.000 1.099 313 L CA 0.701 55.566 54.840 0.042 0.000 0.828 313 L CB 0.494 42.572 42.059 0.032 0.000 1.150 313 L HN 0.649 nan 8.230 nan 0.000 0.442 314 E N 3.322 123.540 120.200 0.030 0.000 2.277 314 E HA 0.569 4.920 4.350 0.002 0.000 0.266 314 E C -1.435 175.116 176.600 -0.082 0.000 0.901 314 E CA -0.995 55.424 56.400 0.032 0.000 0.782 314 E CB 2.491 32.240 29.700 0.082 0.000 1.228 314 E HN 0.371 nan 8.360 nan 0.000 0.424 315 V N 3.628 123.456 119.914 -0.144 0.000 2.378 315 V HA 0.318 4.439 4.120 0.002 0.000 0.288 315 V C -2.221 173.801 176.094 -0.121 0.000 1.016 315 V CA -1.834 60.310 62.300 -0.259 0.000 0.840 315 V CB 1.277 32.678 31.823 -0.703 0.000 0.994 315 V HN 0.551 nan 8.190 nan 0.000 0.431 316 P HA 0.282 nan 4.420 nan 0.000 0.280 316 P C -0.819 176.477 177.300 -0.007 0.000 1.244 316 P CA -0.199 62.866 63.100 -0.059 0.000 0.784 316 P CB 1.187 32.860 31.700 -0.044 0.000 0.913 317 L N 3.705 124.956 121.223 0.046 0.000 2.276 317 L HA 0.397 4.738 4.340 0.002 0.000 0.286 317 L C 1.099 178.109 176.870 0.233 0.000 1.061 317 L CA -0.154 54.773 54.840 0.146 0.000 0.807 317 L CB 0.444 42.647 42.059 0.240 0.000 1.177 317 L HN 0.512 nan 8.230 nan 0.000 0.429 318 E N 2.034 122.329 120.200 0.158 0.000 2.393 318 E HA 0.401 4.752 4.350 0.002 0.000 0.273 318 E C -1.296 175.277 176.600 -0.045 0.000 0.918 318 E CA -0.948 55.549 56.400 0.161 0.000 0.773 318 E CB 2.149 31.932 29.700 0.138 0.000 1.275 318 E HN 0.457 nan 8.360 nan 0.000 0.451 319 H N 1.826 120.719 119.070 -0.296 0.000 2.463 319 H HA 0.226 4.783 4.556 0.002 0.000 0.332 319 H C -1.690 173.297 175.328 -0.567 0.000 1.127 319 H CA -2.253 53.470 56.048 -0.542 0.000 1.238 319 H CB 1.948 31.329 29.762 -0.635 0.000 1.478 319 H HN 0.457 nan 8.280 nan 0.000 0.499 320 P HA -0.114 nan 4.420 nan 0.000 0.220 320 P C 0.923 178.036 177.300 -0.312 0.000 1.148 320 P CA 1.640 64.187 63.100 -0.923 0.000 0.803 320 P CB 0.435 31.612 31.700 -0.872 0.000 0.782 321 T N -4.631 109.923 114.554 -0.000 0.000 2.966 321 T HA 0.219 4.570 4.350 0.002 0.000 0.254 321 T C 0.770 175.447 174.700 -0.037 0.000 0.961 321 T CA -0.211 61.902 62.100 0.022 0.000 0.915 321 T CB -0.538 68.353 68.868 0.039 0.000 1.186 321 T HN -0.067 nan 8.240 nan 0.000 0.505 322 L N 3.511 124.654 121.223 -0.134 0.000 2.282 322 L HA 0.416 4.757 4.340 0.002 0.000 0.287 322 L C 1.599 178.139 176.870 -0.550 0.000 1.075 322 L CA -0.698 53.797 54.840 -0.574 0.000 0.839 322 L CB 1.019 42.347 42.059 -1.218 0.000 1.219 322 L HN 0.295 nan 8.230 nan 0.000 0.434 323 E N 3.789 123.807 120.200 -0.303 0.000 2.097 323 E HA -0.259 4.092 4.350 0.002 0.000 0.196 323 E C 1.681 178.229 176.600 -0.086 0.000 1.000 323 E CA 1.739 58.066 56.400 -0.122 0.000 0.804 323 E CB -0.269 29.438 29.700 0.012 0.000 0.740 323 E HN 0.759 nan 8.360 nan 0.000 0.454 324 W N -0.116 121.228 121.300 0.073 0.000 2.699 324 W HA 0.056 4.717 4.660 0.002 0.000 0.249 324 W C 1.281 177.844 176.519 0.074 0.000 1.280 324 W CA -0.061 57.317 57.345 0.055 0.000 1.345 324 W CB -0.901 28.569 29.460 0.017 0.000 1.128 324 W HN -0.011 nan 8.180 nan 0.000 0.642 325 F N 3.034 122.701 119.950 -0.472 0.000 2.095 325 F HA -0.147 4.381 4.527 0.002 0.000 0.298 325 F C 2.725 178.530 175.800 0.008 0.000 1.104 325 F CA 3.018 60.859 58.000 -0.265 0.000 1.232 325 F CB -0.722 38.017 39.000 -0.435 0.000 0.987 325 F HN -0.074 nan 8.300 nan 0.000 0.475 326 A N 0.104 123.054 122.820 0.216 0.000 1.978 326 A HA -0.140 4.181 4.320 0.002 0.000 0.220 326 A C 2.348 179.994 177.584 0.105 0.000 1.170 326 A CA 1.707 53.844 52.037 0.166 0.000 0.636 326 A CB -1.520 17.550 19.000 0.117 0.000 0.810 326 A HN 0.475 nan 8.150 nan 0.000 0.448 327 A N -0.340 122.549 122.820 0.114 0.000 2.070 327 A HA -0.005 4.316 4.320 0.002 0.000 0.220 327 A C 1.974 179.601 177.584 0.071 0.000 1.159 327 A CA 1.295 53.393 52.037 0.102 0.000 0.656 327 A CB -0.568 18.516 19.000 0.141 0.000 0.800 327 A HN 0.508 nan 8.150 nan 0.000 0.453 328 L N -1.089 120.153 121.223 0.032 0.000 2.362 328 L HA -0.009 4.332 4.340 0.002 0.000 0.219 328 L C 1.870 178.764 176.870 0.041 0.000 1.134 328 L CA 0.609 55.444 54.840 -0.010 0.000 0.807 328 L CB -0.638 41.314 42.059 -0.178 0.000 0.927 328 L HN 0.585 nan 8.230 nan 0.000 0.447 329 G N 0.623 109.449 108.800 0.044 0.000 2.203 329 G HA2 -0.298 3.663 3.960 0.002 0.000 0.263 329 G HA3 -0.298 3.663 3.960 0.002 0.000 0.263 329 G C 0.272 175.168 174.900 -0.006 0.000 1.012 329 G CA 0.098 45.227 45.100 0.048 0.000 0.749 329 G HN 0.278 nan 8.290 nan 0.000 0.512 330 L N -0.305 120.901 121.223 -0.028 0.000 2.464 330 L HA 0.720 5.061 4.340 0.002 0.000 0.264 330 L C 1.153 177.799 176.870 -0.374 0.000 1.199 330 L CA -0.280 54.457 54.840 -0.173 0.000 0.818 330 L CB 0.677 42.759 42.059 0.038 0.000 1.102 330 L HN 0.582 nan 8.230 nan 0.000 0.473 331 R N 1.118 121.176 120.500 -0.736 0.000 2.728 331 R HA 0.471 4.812 4.340 0.002 0.000 0.274 331 R C -2.227 173.996 176.300 -0.129 0.000 1.030 331 R CA -1.016 54.836 56.100 -0.414 0.000 0.876 331 R CB 1.596 31.605 30.300 -0.485 0.000 1.259 331 R HN 0.676 nan 8.270 nan 0.000 0.468 332 W N 1.807 123.056 121.300 -0.086 0.000 3.213 332 W HA 0.326 4.987 4.660 0.002 0.000 0.318 332 W C -1.135 175.484 176.519 0.166 0.000 1.248 332 W CA -0.949 56.459 57.345 0.105 0.000 1.187 332 W CB 1.888 31.329 29.460 -0.032 0.000 1.403 332 W HN 0.696 nan 8.180 nan 0.000 0.556 333 Y N 1.197 121.458 120.300 -0.065 0.000 2.357 333 Y HA 0.506 5.057 4.550 0.002 0.000 0.340 333 Y C 0.822 176.965 175.900 0.406 0.000 1.260 333 Y CA 0.326 58.461 58.100 0.058 0.000 1.425 333 Y CB 0.131 38.493 38.460 -0.163 0.000 1.326 333 Y HN 0.338 nan 8.280 nan 0.000 0.580 334 A N 1.821 124.920 122.820 0.466 0.000 1.975 334 A HA 0.101 4.422 4.320 0.002 0.000 0.215 334 A C 0.445 178.372 177.584 0.571 0.000 1.170 334 A CA 0.297 52.645 52.037 0.520 0.000 0.656 334 A CB -0.257 18.889 19.000 0.244 0.000 0.821 334 A HN 0.663 nan 8.150 nan 0.000 0.449 335 L N 1.912 123.423 121.223 0.479 0.000 2.262 335 L HA 0.418 4.759 4.340 0.002 0.000 0.288 335 L C -2.547 174.465 176.870 0.238 0.000 1.035 335 L CA -2.153 52.865 54.840 0.296 0.000 0.820 335 L CB 1.613 43.782 42.059 0.183 0.000 1.204 335 L HN -0.026 nan 8.230 nan 0.000 0.424 336 P HA 0.294 nan 4.420 nan 0.000 0.273 336 P C -1.333 175.866 177.300 -0.169 0.000 1.531 336 P CA -0.311 62.641 63.100 -0.247 0.000 1.027 336 P CB 1.153 32.323 31.700 -0.882 0.000 1.387 337 A N 4.654 127.388 122.820 -0.145 0.000 2.536 337 A HA 0.384 4.705 4.320 0.002 0.000 0.329 337 A C 0.024 177.382 177.584 -0.377 0.000 1.321 337 A CA -0.664 51.215 52.037 -0.263 0.000 0.804 337 A CB 0.496 19.370 19.000 -0.209 0.000 1.126 337 A HN 0.293 nan 8.150 nan 0.000 0.480 338 V N 2.804 122.332 119.914 -0.642 0.000 2.529 338 V HA 0.169 4.290 4.120 0.002 0.000 0.292 338 V C 1.236 176.955 176.094 -0.625 0.000 1.028 338 V CA 1.322 63.231 62.300 -0.650 0.000 1.074 338 V CB 0.960 32.234 31.823 -0.915 0.000 0.958 338 V HN 1.046 nan 8.190 nan 0.000 0.481 339 S N 1.817 117.349 115.700 -0.280 0.000 2.819 339 S HA 0.085 4.556 4.470 0.002 0.000 0.249 339 S C 0.715 175.310 174.600 -0.008 0.000 1.030 339 S CA 0.009 58.128 58.200 -0.135 0.000 1.052 339 S CB -0.433 62.714 63.200 -0.087 0.000 1.017 339 S HN 0.918 nan 8.310 nan 0.000 0.576 340 N N 0.375 119.079 118.700 0.005 0.000 2.184 340 N HA 0.289 5.030 4.740 0.002 0.000 0.206 340 N C 0.104 175.685 175.510 0.118 0.000 1.151 340 N CA -0.508 52.583 53.050 0.068 0.000 0.878 340 N CB 0.150 38.675 38.487 0.063 0.000 1.014 340 N HN 0.283 nan 8.380 nan 0.000 0.512 341 M N 1.477 121.171 119.600 0.157 0.000 2.409 341 M HA 0.326 4.807 4.480 0.002 0.000 0.329 341 M C -0.588 175.869 176.300 0.263 0.000 1.180 341 M CA -0.828 54.614 55.300 0.236 0.000 1.053 341 M CB 2.485 35.270 32.600 0.309 0.000 1.586 341 M HN 0.112 nan 8.290 nan 0.000 0.461 342 L N 2.999 124.353 121.223 0.217 0.000 2.307 342 L HA 0.524 4.865 4.340 0.002 0.000 0.282 342 L C -1.316 175.659 176.870 0.175 0.000 1.051 342 L CA -0.878 54.069 54.840 0.178 0.000 0.804 342 L CB 1.056 43.171 42.059 0.093 0.000 1.197 342 L HN 0.606 nan 8.230 nan 0.000 0.431 343 L N 5.272 126.588 121.223 0.155 0.000 2.276 343 L HA 0.437 4.778 4.340 0.002 0.000 0.286 343 L C -0.510 176.364 176.870 0.007 0.000 1.024 343 L CA 0.154 54.968 54.840 -0.044 0.000 0.826 343 L CB 1.078 43.094 42.059 -0.072 0.000 1.211 343 L HN 0.632 nan 8.230 nan 0.000 0.422 344 E N 6.595 126.722 120.200 -0.123 0.000 2.109 344 E HA 0.353 4.704 4.350 0.002 0.000 0.278 344 E C -1.454 175.048 176.600 -0.163 0.000 0.954 344 E CA -0.358 55.982 56.400 -0.101 0.000 0.779 344 E CB 0.895 30.535 29.700 -0.100 0.000 1.093 344 E HN 0.729 nan 8.360 nan 0.000 0.401 345 I N 2.648 123.130 120.570 -0.147 0.000 2.447 345 I HA 0.263 4.434 4.170 0.002 0.000 0.287 345 I C 0.951 176.840 176.117 -0.381 0.000 1.023 345 I CA -0.716 60.362 61.300 -0.369 0.000 1.083 345 I CB 1.962 39.689 38.000 -0.455 0.000 1.245 345 I HN 0.785 nan 8.210 nan 0.000 0.434 346 G N 4.252 112.841 108.800 -0.353 0.000 2.361 346 G HA2 -0.160 3.801 3.960 0.002 0.000 0.294 346 G HA3 -0.160 3.801 3.960 0.002 0.000 0.294 346 G C 1.024 175.991 174.900 0.113 0.000 1.004 346 G CA 0.863 45.965 45.100 0.004 0.000 0.870 346 G HN 1.524 nan 8.290 nan 0.000 0.510 347 G N -2.042 106.762 108.800 0.007 0.000 2.241 347 G HA2 -0.229 3.732 3.960 0.002 0.000 0.244 347 G HA3 -0.229 3.732 3.960 0.002 0.000 0.244 347 G C 0.475 175.320 174.900 -0.093 0.000 0.998 347 G CA 0.373 45.479 45.100 0.010 0.000 0.621 347 G HN 1.248 nan 8.290 nan 0.000 0.519 348 L N 1.107 122.212 121.223 -0.197 0.000 2.350 348 L HA 0.574 4.915 4.340 0.002 0.000 0.275 348 L C 0.241 176.853 176.870 -0.429 0.000 1.099 348 L CA -0.409 54.185 54.840 -0.409 0.000 0.808 348 L CB 1.116 42.819 42.059 -0.593 0.000 1.149 348 L HN 0.209 nan 8.230 nan 0.000 0.442 349 E N 2.939 122.827 120.200 -0.520 0.000 2.176 349 E HA 0.386 4.737 4.350 0.002 0.000 0.267 349 E C -1.491 174.789 176.600 -0.533 0.000 0.893 349 E CA -0.446 55.732 56.400 -0.370 0.000 0.761 349 E CB 1.765 31.351 29.700 -0.189 0.000 1.133 349 E HN 0.273 nan 8.360 nan 0.000 0.409 350 F N 1.892 121.808 119.950 -0.058 0.000 2.311 350 F HA 0.104 4.632 4.527 0.002 0.000 0.371 350 F C 1.507 177.340 175.800 0.055 0.000 1.083 350 F CA -0.562 57.433 58.000 -0.009 0.000 1.113 350 F CB 1.185 40.163 39.000 -0.037 0.000 1.349 350 F HN 0.443 nan 8.300 nan 0.000 0.470 351 S N 1.362 117.163 115.700 0.169 0.000 2.474 351 S HA 0.137 4.608 4.470 0.002 0.000 0.235 351 S C 0.816 175.544 174.600 0.214 0.000 0.997 351 S CA 0.423 58.721 58.200 0.163 0.000 0.949 351 S CB -0.021 63.254 63.200 0.125 0.000 0.766 351 S HN 0.511 nan 8.310 nan 0.000 0.517 352 A N 0.425 123.416 122.820 0.285 0.000 2.410 352 A HA 0.828 5.149 4.320 0.002 0.000 0.289 352 A C -0.203 177.630 177.584 0.415 0.000 1.200 352 A CA -0.183 52.046 52.037 0.320 0.000 0.751 352 A CB 1.008 20.171 19.000 0.272 0.000 1.161 352 A HN 1.030 nan 8.150 nan 0.000 0.459 353 A N 4.147 127.168 122.820 0.334 0.000 3.399 353 A HA 0.621 4.942 4.320 0.002 0.000 0.262 353 A C -3.057 174.688 177.584 0.269 0.000 1.145 353 A CA -0.889 51.315 52.037 0.277 0.000 0.916 353 A CB 0.399 19.558 19.000 0.265 0.000 1.360 353 A HN 0.508 nan 8.150 nan 0.000 0.628 354 P HA 0.392 nan 4.420 nan 0.000 0.267 354 P C -0.706 176.602 177.300 0.013 0.000 1.205 354 P CA 0.469 63.541 63.100 -0.047 0.000 0.765 354 P CB 0.213 31.831 31.700 -0.136 0.000 0.828 355 F N 0.275 120.171 119.950 -0.091 0.000 2.593 355 F HA 0.816 5.343 4.527 0.002 0.000 0.320 355 F C -0.521 175.201 175.800 -0.130 0.000 1.060 355 F CA -1.168 56.775 58.000 -0.094 0.000 0.940 355 F CB 1.735 40.554 39.000 -0.301 0.000 1.268 355 F HN 0.434 nan 8.300 nan 0.000 0.475 356 S N 0.026 115.815 115.700 0.148 0.000 2.565 356 S HA 0.893 5.364 4.470 0.002 0.000 0.269 356 S C -0.803 173.755 174.600 -0.069 0.000 1.153 356 S CA -0.199 58.016 58.200 0.024 0.000 0.835 356 S CB 1.344 64.616 63.200 0.120 0.000 1.122 356 S HN 1.520 nan 8.310 nan 0.000 0.462 357 G N -0.053 108.661 108.800 -0.144 0.000 3.341 357 G HA2 0.708 4.669 3.960 0.002 0.000 0.186 357 G HA3 0.708 4.669 3.960 0.002 0.000 0.186 357 G C -1.483 173.414 174.900 -0.005 0.000 1.430 357 G CA -0.067 44.878 45.100 -0.258 0.000 0.961 357 G HN 1.275 nan 8.290 nan 0.000 0.767 358 W N -1.318 119.992 121.300 0.017 0.000 3.118 358 W HA 0.811 5.472 4.660 0.002 0.000 0.328 358 W C -1.666 174.865 176.519 0.020 0.000 1.239 358 W CA -2.140 55.228 57.345 0.039 0.000 1.176 358 W CB 0.393 29.915 29.460 0.104 0.000 1.433 358 W HN 0.378 nan 8.180 nan 0.000 0.562 359 Y N 2.667 123.150 120.300 0.305 0.000 2.379 359 Y HA 0.280 4.831 4.550 0.002 0.000 0.337 359 Y C 0.826 176.790 175.900 0.107 0.000 1.238 359 Y CA -0.544 57.625 58.100 0.114 0.000 1.405 359 Y CB 1.033 39.471 38.460 -0.037 0.000 1.310 359 Y HN 0.479 nan 8.280 nan 0.000 0.569 360 M N 1.955 121.711 119.600 0.260 0.000 2.205 360 M HA 0.218 4.699 4.480 0.002 0.000 0.344 360 M C 0.967 177.268 176.300 0.001 0.000 1.085 360 M CA -0.356 55.023 55.300 0.131 0.000 1.001 360 M CB 1.229 33.887 32.600 0.097 0.000 1.626 360 M HN 0.818 nan 8.290 nan 0.000 0.442 361 S N 1.355 117.012 115.700 -0.071 0.000 2.400 361 S HA -0.224 4.247 4.470 0.002 0.000 0.234 361 S C 1.479 175.951 174.600 -0.214 0.000 1.049 361 S CA 2.328 60.412 58.200 -0.192 0.000 1.039 361 S CB -1.481 61.647 63.200 -0.121 0.000 0.856 361 S HN 0.931 nan 8.310 nan 0.000 0.465 362 T N 0.115 114.576 114.554 -0.154 0.000 2.915 362 T HA -0.012 4.339 4.350 0.002 0.000 0.269 362 T C 1.558 176.117 174.700 -0.236 0.000 1.071 362 T CA 1.155 63.120 62.100 -0.226 0.000 1.132 362 T CB -0.565 68.130 68.868 -0.289 0.000 0.878 362 T HN 0.610 nan 8.240 nan 0.000 0.479 363 E N 0.957 121.041 120.200 -0.194 0.000 2.085 363 E HA -0.054 4.297 4.350 0.002 0.000 0.194 363 E C 2.034 178.400 176.600 -0.390 0.000 0.994 363 E CA 1.409 57.704 56.400 -0.176 0.000 0.801 363 E CB -0.297 29.434 29.700 0.052 0.000 0.743 363 E HN 0.607 nan 8.360 nan 0.000 0.453 364 I N 0.098 120.299 120.570 -0.614 0.000 2.364 364 I HA -0.031 4.140 4.170 0.002 0.000 0.241 364 I C 2.617 178.381 176.117 -0.588 0.000 1.082 364 I CA 0.825 61.583 61.300 -0.905 0.000 1.401 364 I CB -0.576 36.764 38.000 -1.101 0.000 1.126 364 I HN 0.091 nan 8.210 nan 0.000 0.429 365 G N 0.418 108.977 108.800 -0.402 0.000 2.422 365 G HA2 -0.185 3.776 3.960 0.002 0.000 0.218 365 G HA3 -0.185 3.776 3.960 0.002 0.000 0.218 365 G C 1.615 176.403 174.900 -0.186 0.000 1.146 365 G CA 1.645 46.601 45.100 -0.240 0.000 0.769 365 G HN 0.304 nan 8.290 nan 0.000 0.547 366 T N -0.043 114.382 114.554 -0.215 0.000 2.990 366 T HA 0.098 4.449 4.350 0.002 0.000 0.237 366 T C 2.533 177.130 174.700 -0.171 0.000 1.009 366 T CA 0.318 62.312 62.100 -0.177 0.000 1.195 366 T CB 0.044 68.790 68.868 -0.202 0.000 0.885 366 T HN 0.016 nan 8.240 nan 0.000 0.424 367 R N 2.059 122.438 120.500 -0.201 0.000 2.056 367 R HA 0.115 4.456 4.340 0.002 0.000 0.227 367 R C 2.193 178.385 176.300 -0.181 0.000 1.149 367 R CA 1.162 57.155 56.100 -0.179 0.000 0.937 367 R CB -1.261 28.938 30.300 -0.169 0.000 0.835 367 R HN 0.333 nan 8.270 nan 0.000 0.430 368 N N 1.038 119.584 118.700 -0.256 0.000 2.104 368 N HA -0.106 4.635 4.740 0.002 0.000 0.190 368 N C 1.978 177.418 175.510 -0.117 0.000 1.024 368 N CA 1.138 54.041 53.050 -0.244 0.000 0.853 368 N CB -0.279 37.779 38.487 -0.716 0.000 1.008 368 N HN 0.196 nan 8.380 nan 0.000 0.424 369 L N -0.848 120.246 121.223 -0.215 0.000 2.354 369 L HA 0.091 4.432 4.340 0.002 0.000 0.212 369 L C 1.351 178.242 176.870 0.035 0.000 1.091 369 L CA 0.346 55.154 54.840 -0.053 0.000 0.828 369 L CB 0.215 42.208 42.059 -0.110 0.000 0.973 369 L HN 0.158 nan 8.230 nan 0.000 0.461 370 C N -1.626 117.660 119.300 -0.024 0.000 3.065 370 C HA 0.176 4.637 4.460 0.002 0.000 0.285 370 C C 0.704 175.686 174.990 -0.013 0.000 1.257 370 C CA -0.884 58.133 59.018 -0.002 0.000 1.691 370 C CB -0.274 27.452 27.740 -0.023 0.000 2.089 370 C HN 0.284 nan 8.230 nan 0.000 0.630 371 D N 2.941 123.305 120.400 -0.060 0.000 2.488 371 D HA 0.051 4.692 4.640 0.002 0.000 0.238 371 D C -1.049 175.241 176.300 -0.017 0.000 1.138 371 D CA -1.326 52.624 54.000 -0.084 0.000 0.873 371 D CB 0.735 41.338 40.800 -0.328 0.000 1.183 371 D HN 0.194 nan 8.370 nan 0.000 0.458 372 P HA -0.166 nan 4.420 nan 0.000 0.218 372 P C 0.772 178.163 177.300 0.150 0.000 1.149 372 P CA 1.345 64.523 63.100 0.130 0.000 0.817 372 P CB -0.017 31.770 31.700 0.145 0.000 0.785 373 H N -2.094 116.987 119.070 0.018 0.000 2.524 373 H HA 0.327 4.884 4.556 0.002 0.000 0.280 373 H C 0.977 176.313 175.328 0.012 0.000 1.018 373 H CA -0.164 55.892 56.048 0.013 0.000 1.165 373 H CB -0.128 29.642 29.762 0.013 0.000 1.411 373 H HN -0.007 nan 8.280 nan 0.000 0.569 374 R N -0.241 120.158 120.500 -0.167 0.000 3.066 374 R HA 0.177 4.518 4.340 0.002 0.000 0.143 374 R C 1.153 177.421 176.300 -0.054 0.000 1.187 374 R CA -0.746 55.283 56.100 -0.119 0.000 0.722 374 R CB -0.818 29.423 30.300 -0.098 0.000 1.366 374 R HN 0.092 nan 8.270 nan 0.000 0.421 375 Y N 1.525 121.834 120.300 0.015 0.000 2.403 375 Y HA -0.143 4.408 4.550 0.002 0.000 0.291 375 Y C 0.760 176.679 175.900 0.032 0.000 1.143 375 Y CA 1.259 59.382 58.100 0.039 0.000 1.257 375 Y CB -0.358 38.161 38.460 0.097 0.000 0.984 375 Y HN 0.517 nan 8.280 nan 0.000 0.550 376 N N 0.571 119.360 118.700 0.148 0.000 2.686 376 N HA -0.228 4.513 4.740 0.002 0.000 0.261 376 N C 0.310 175.898 175.510 0.130 0.000 1.001 376 N CA 0.810 53.926 53.050 0.109 0.000 0.764 376 N CB -1.274 37.263 38.487 0.082 0.000 0.898 376 N HN 0.655 nan 8.380 nan 0.000 0.544 377 I N -3.503 117.153 120.570 0.143 0.000 3.793 377 I HA 0.083 4.254 4.170 0.002 0.000 0.315 377 I C 1.499 177.701 176.117 0.142 0.000 1.275 377 I CA -0.427 60.953 61.300 0.135 0.000 1.214 377 I CB -0.074 38.004 38.000 0.130 0.000 1.018 377 I HN 0.083 nan 8.210 nan 0.000 0.439 378 L N 1.883 123.201 121.223 0.158 0.000 2.021 378 L HA -0.263 4.078 4.340 0.002 0.000 0.215 378 L C 2.607 179.677 176.870 0.332 0.000 1.074 378 L CA 2.127 57.095 54.840 0.213 0.000 0.760 378 L CB -1.079 41.079 42.059 0.166 0.000 0.889 378 L HN 0.513 nan 8.230 nan 0.000 0.433 379 E N -1.166 119.221 120.200 0.312 0.000 2.072 379 E HA -0.202 4.149 4.350 0.002 0.000 0.190 379 E C 1.706 178.336 176.600 0.049 0.000 0.982 379 E CA 1.067 57.584 56.400 0.196 0.000 0.803 379 E CB 0.096 29.851 29.700 0.090 0.000 0.755 379 E HN 0.488 nan 8.360 nan 0.000 0.453 380 D N 0.084 120.514 120.400 0.049 0.000 2.117 380 D HA -0.147 4.494 4.640 0.002 0.000 0.197 380 D C 2.042 178.326 176.300 -0.026 0.000 0.987 380 D CA 0.998 54.993 54.000 -0.008 0.000 0.829 380 D CB -0.115 40.691 40.800 0.010 0.000 0.961 380 D HN 0.127 nan 8.370 nan 0.000 0.460 381 V N 1.407 121.356 119.914 0.059 0.000 2.427 381 V HA -0.175 3.946 4.120 0.002 0.000 0.248 381 V C 2.536 178.687 176.094 0.095 0.000 1.051 381 V CA 1.610 63.985 62.300 0.125 0.000 1.048 381 V CB -0.725 31.245 31.823 0.244 0.000 0.666 381 V HN 0.164 nan 8.190 nan 0.000 0.456 382 A N -0.157 122.739 122.820 0.126 0.000 1.930 382 A HA -0.127 4.194 4.320 0.002 0.000 0.217 382 A C 2.378 179.923 177.584 -0.065 0.000 1.175 382 A CA 1.886 53.993 52.037 0.117 0.000 0.627 382 A CB -0.572 18.590 19.000 0.269 0.000 0.815 382 A HN 0.335 nan 8.150 nan 0.000 0.443 383 V N -0.876 118.953 119.914 -0.141 0.000 2.358 383 V HA -0.293 3.828 4.120 0.002 0.000 0.246 383 V C 2.600 178.520 176.094 -0.289 0.000 1.047 383 V CA 1.990 64.167 62.300 -0.205 0.000 1.035 383 V CB -1.010 30.700 31.823 -0.189 0.000 0.658 383 V HN 0.708 nan 8.190 nan 0.000 0.452 384 C N -0.481 118.569 119.300 -0.418 0.000 2.435 384 C HA -0.114 4.347 4.460 0.002 0.000 0.279 384 C C 2.698 177.173 174.990 -0.858 0.000 1.321 384 C CA 0.881 59.394 59.018 -0.843 0.000 1.752 384 C CB -0.968 25.937 27.740 -1.390 0.000 1.959 384 C HN 0.516 nan 8.230 nan 0.000 0.500 385 M N 0.110 119.454 119.600 -0.426 0.000 2.619 385 M HA -0.014 4.467 4.480 0.002 0.000 0.251 385 M C 0.542 176.797 176.300 -0.075 0.000 1.106 385 M CA 1.016 56.264 55.300 -0.088 0.000 1.086 385 M CB -0.310 32.365 32.600 0.125 0.000 1.465 385 M HN 0.263 nan 8.290 nan 0.000 0.506 386 D N 1.397 121.709 120.400 -0.147 0.000 2.716 386 D HA -0.148 4.493 4.640 0.002 0.000 0.239 386 D C -0.941 175.325 176.300 -0.056 0.000 1.125 386 D CA 0.497 54.432 54.000 -0.109 0.000 0.681 386 D CB -1.061 39.686 40.800 -0.090 0.000 1.070 386 D HN 0.279 nan 8.370 nan 0.000 0.432 387 L N -0.256 120.937 121.223 -0.049 0.000 2.400 387 L HA 0.409 4.750 4.340 0.002 0.000 0.264 387 L C 0.956 177.782 176.870 -0.074 0.000 1.061 387 L CA -0.889 53.950 54.840 -0.002 0.000 0.799 387 L CB 0.687 42.808 42.059 0.103 0.000 1.240 387 L HN -0.069 nan 8.230 nan 0.000 0.461 388 D N 0.175 120.557 120.400 -0.030 0.000 2.483 388 D HA 0.033 4.674 4.640 0.002 0.000 0.220 388 D C 1.075 177.235 176.300 -0.234 0.000 1.173 388 D CA -0.158 53.793 54.000 -0.082 0.000 0.964 388 D CB 0.700 41.503 40.800 0.006 0.000 1.046 388 D HN 0.587 nan 8.370 nan 0.000 0.517 389 T N 0.425 114.666 114.554 -0.521 0.000 3.118 389 T HA -0.001 4.350 4.350 0.002 0.000 0.260 389 T C 1.620 175.998 174.700 -0.537 0.000 1.139 389 T CA 0.246 61.673 62.100 -1.122 0.000 1.085 389 T CB 0.010 68.187 68.868 -1.152 0.000 0.934 389 T HN 0.257 nan 8.240 nan 0.000 0.518 390 R N 0.704 121.060 120.500 -0.240 0.000 2.148 390 R HA 0.100 4.441 4.340 0.002 0.000 0.227 390 R C 1.133 177.444 176.300 0.018 0.000 1.103 390 R CA 1.045 57.091 56.100 -0.091 0.000 0.983 390 R CB -0.180 30.082 30.300 -0.064 0.000 0.874 390 R HN 0.390 nan 8.270 nan 0.000 0.451 391 T N -1.220 113.388 114.554 0.090 0.000 2.900 391 T HA 0.133 4.484 4.350 0.002 0.000 0.295 391 T C 1.080 175.965 174.700 0.308 0.000 1.044 391 T CA -0.589 61.609 62.100 0.163 0.000 0.995 391 T CB 1.909 70.838 68.868 0.100 0.000 1.072 391 T HN 0.212 nan 8.240 nan 0.000 0.473 392 T N 0.566 115.258 114.554 0.229 0.000 2.867 392 T HA -0.080 4.271 4.350 0.002 0.000 0.268 392 T C 2.095 176.845 174.700 0.083 0.000 1.057 392 T CA 1.550 63.742 62.100 0.153 0.000 1.136 392 T CB -0.649 68.257 68.868 0.063 0.000 0.874 392 T HN 0.670 nan 8.240 nan 0.000 0.466 393 S N 2.228 117.981 115.700 0.089 0.000 2.507 393 S HA -0.077 4.394 4.470 0.002 0.000 0.235 393 S C 2.118 176.763 174.600 0.075 0.000 0.988 393 S CA 0.866 59.102 58.200 0.060 0.000 0.944 393 S CB -0.864 62.366 63.200 0.050 0.000 0.762 393 S HN 0.758 nan 8.310 nan 0.000 0.526 394 S N 1.625 117.405 115.700 0.133 0.000 2.562 394 S HA 0.230 4.701 4.470 0.002 0.000 0.221 394 S C 0.949 175.628 174.600 0.132 0.000 0.975 394 S CA 0.137 58.424 58.200 0.145 0.000 0.918 394 S CB -1.003 62.316 63.200 0.199 0.000 0.772 394 S HN 0.609 nan 8.310 nan 0.000 0.531 395 L N 0.808 122.069 121.223 0.064 0.000 3.839 395 L HA -0.190 4.151 4.340 0.002 0.000 0.416 395 L C 1.718 178.578 176.870 -0.017 0.000 1.195 395 L CA 0.740 55.557 54.840 -0.039 0.000 0.946 395 L CB -2.483 39.567 42.059 -0.014 0.000 1.891 395 L HN 0.739 nan 8.230 nan 0.000 0.963 396 W N -0.009 121.302 121.300 0.018 0.000 2.342 396 W HA -0.177 4.484 4.660 0.001 0.000 0.297 396 W C 1.754 178.290 176.519 0.028 0.000 1.213 396 W CA 1.376 58.734 57.345 0.021 0.000 1.251 396 W CB -0.716 28.752 29.460 0.013 0.000 1.136 396 W HN 0.286 nan 8.180 nan 0.000 0.526 397 K N 1.050 121.021 120.400 -0.716 0.000 2.025 397 K HA -0.158 4.163 4.320 0.002 0.000 0.207 397 K C 1.561 178.018 176.600 -0.238 0.000 1.049 397 K CA 2.344 58.241 56.287 -0.651 0.000 0.933 397 K CB -0.365 31.576 32.500 -0.933 0.000 0.714 397 K HN 0.038 nan 8.250 nan 0.000 0.438 398 D N 0.604 120.884 120.400 -0.199 0.000 2.117 398 D HA -0.132 4.509 4.640 0.002 0.000 0.197 398 D C 1.657 177.947 176.300 -0.017 0.000 0.987 398 D CA 1.246 55.190 54.000 -0.094 0.000 0.829 398 D CB 0.050 40.803 40.800 -0.078 0.000 0.961 398 D HN 0.130 nan 8.370 nan 0.000 0.460 399 K N 0.486 120.900 120.400 0.024 0.000 2.025 399 K HA 0.018 4.339 4.320 0.002 0.000 0.207 399 K C 2.225 178.893 176.600 0.114 0.000 1.049 399 K CA 1.074 57.408 56.287 0.078 0.000 0.933 399 K CB -0.140 32.425 32.500 0.109 0.000 0.714 399 K HN 0.079 nan 8.250 nan 0.000 0.438 400 A N 1.594 124.500 122.820 0.142 0.000 1.902 400 A HA -0.125 4.196 4.320 0.002 0.000 0.217 400 A C 2.376 180.052 177.584 0.153 0.000 1.181 400 A CA 1.865 54.018 52.037 0.192 0.000 0.623 400 A CB -0.701 18.443 19.000 0.240 0.000 0.818 400 A HN 0.336 nan 8.150 nan 0.000 0.443 401 A N -0.646 122.220 122.820 0.076 0.000 1.933 401 A HA 0.013 4.334 4.320 0.002 0.000 0.218 401 A C 2.221 179.827 177.584 0.036 0.000 1.175 401 A CA 1.730 53.788 52.037 0.035 0.000 0.628 401 A CB -0.862 18.120 19.000 -0.030 0.000 0.814 401 A HN 0.373 nan 8.150 nan 0.000 0.444 402 V N 0.336 120.278 119.914 0.047 0.000 2.343 402 V HA -0.195 3.926 4.120 0.002 0.000 0.247 402 V C 2.530 178.668 176.094 0.074 0.000 1.051 402 V CA 2.100 64.432 62.300 0.053 0.000 1.036 402 V CB -0.652 31.207 31.823 0.061 0.000 0.654 402 V HN 0.514 nan 8.190 nan 0.000 0.451 403 E N -0.091 120.183 120.200 0.122 0.000 2.150 403 E HA -0.114 4.237 4.350 0.002 0.000 0.193 403 E C 2.113 178.774 176.600 0.102 0.000 0.985 403 E CA 1.127 57.632 56.400 0.174 0.000 0.814 403 E CB -0.251 29.576 29.700 0.212 0.000 0.752 403 E HN 0.584 nan 8.360 nan 0.000 0.466 404 I N 1.254 121.909 120.570 0.142 0.000 2.202 404 I HA -0.272 3.899 4.170 0.002 0.000 0.242 404 I C 1.701 177.808 176.117 -0.017 0.000 1.091 404 I CA 1.059 62.442 61.300 0.138 0.000 1.368 404 I CB -0.297 37.828 38.000 0.208 0.000 1.058 404 I HN 0.031 nan 8.210 nan 0.000 0.410 405 N N 0.661 119.346 118.700 -0.026 0.000 2.244 405 N HA -0.170 4.571 4.740 0.002 0.000 0.183 405 N C 1.672 177.138 175.510 -0.073 0.000 1.016 405 N CA 0.854 53.866 53.050 -0.063 0.000 0.866 405 N CB -0.192 38.269 38.487 -0.043 0.000 0.980 405 N HN 0.168 nan 8.380 nan 0.000 0.430 406 L N 0.482 121.658 121.223 -0.079 0.000 2.093 406 L HA 0.046 4.387 4.340 0.002 0.000 0.208 406 L C 1.967 178.693 176.870 -0.239 0.000 1.085 406 L CA 1.207 55.964 54.840 -0.138 0.000 0.755 406 L CB -0.640 41.324 42.059 -0.159 0.000 0.904 406 L HN 0.148 nan 8.230 nan 0.000 0.435 407 A N -1.398 121.219 122.820 -0.339 0.000 1.969 407 A HA -0.115 4.206 4.320 0.002 0.000 0.218 407 A C 2.245 179.728 177.584 -0.167 0.000 1.169 407 A CA 1.746 53.516 52.037 -0.445 0.000 0.635 407 A CB -0.912 17.494 19.000 -0.989 0.000 0.810 407 A HN 0.283 nan 8.150 nan 0.000 0.445 408 V N -0.055 119.791 119.914 -0.113 0.000 2.307 408 V HA -0.235 3.886 4.120 0.002 0.000 0.245 408 V C 2.561 178.661 176.094 0.011 0.000 1.045 408 V CA 1.939 64.219 62.300 -0.034 0.000 1.024 408 V CB -0.689 31.040 31.823 -0.157 0.000 0.651 408 V HN 0.573 nan 8.190 nan 0.000 0.449 409 L N -0.537 120.659 121.223 -0.046 0.000 2.017 409 L HA -0.212 4.128 4.340 0.002 0.000 0.208 409 L C 2.608 179.497 176.870 0.033 0.000 1.073 409 L CA 2.135 56.966 54.840 -0.016 0.000 0.745 409 L CB -0.791 41.251 42.059 -0.029 0.000 0.894 409 L HN 0.487 nan 8.230 nan 0.000 0.432 410 H N -0.362 118.652 119.070 -0.092 0.000 2.321 410 H HA -0.143 4.414 4.556 0.002 0.000 0.300 410 H C 2.334 177.635 175.328 -0.044 0.000 1.087 410 H CA 1.998 57.983 56.048 -0.105 0.000 1.319 410 H CB 0.008 29.642 29.762 -0.215 0.000 1.379 410 H HN 0.151 nan 8.280 nan 0.000 0.501 411 S N -0.301 115.344 115.700 -0.092 0.000 2.356 411 S HA -0.121 4.350 4.470 0.002 0.000 0.223 411 S C 1.934 176.500 174.600 -0.058 0.000 1.032 411 S CA 1.294 59.432 58.200 -0.103 0.000 1.005 411 S CB -0.502 62.726 63.200 0.046 0.000 0.867 411 S HN 0.330 nan 8.310 nan 0.000 0.449 412 F N 1.976 121.861 119.950 -0.109 0.000 2.186 412 F HA -0.082 4.446 4.527 0.002 0.000 0.299 412 F C 2.662 178.405 175.800 -0.096 0.000 1.090 412 F CA 1.052 59.012 58.000 -0.068 0.000 1.307 412 F CB -0.603 38.382 39.000 -0.025 0.000 1.019 412 F HN 0.211 nan 8.300 nan 0.000 0.489 413 Q N -0.610 119.223 119.800 0.055 0.000 2.079 413 Q HA -0.199 4.142 4.340 0.002 0.000 0.200 413 Q C 2.197 178.132 176.000 -0.107 0.000 0.974 413 Q CA 1.342 57.126 55.803 -0.031 0.000 0.840 413 Q CB -0.453 28.258 28.738 -0.046 0.000 0.898 413 Q HN 0.332 nan 8.270 nan 0.000 0.430 414 L N 0.233 121.331 121.223 -0.209 0.000 2.131 414 L HA -0.070 4.271 4.340 0.002 0.000 0.210 414 L C 1.855 178.632 176.870 -0.155 0.000 1.092 414 L CA 1.758 56.458 54.840 -0.234 0.000 0.759 414 L CB -0.385 41.435 42.059 -0.398 0.000 0.903 414 L HN 0.112 nan 8.230 nan 0.000 0.435 415 A N -1.644 121.083 122.820 -0.154 0.000 2.251 415 A HA 0.070 4.391 4.320 0.002 0.000 0.209 415 A C 0.747 178.264 177.584 -0.110 0.000 1.187 415 A CA -0.014 51.937 52.037 -0.144 0.000 0.823 415 A CB -0.246 18.628 19.000 -0.209 0.000 0.846 415 A HN 0.354 nan 8.150 nan 0.000 0.486 416 K N -0.957 119.392 120.400 -0.085 0.000 3.125 416 K HA -0.123 4.198 4.320 0.002 0.000 0.268 416 K C -0.637 175.934 176.600 -0.048 0.000 1.078 416 K CA 0.767 57.018 56.287 -0.061 0.000 0.775 416 K CB -2.643 29.822 32.500 -0.059 0.000 1.253 416 K HN 0.298 nan 8.250 nan 0.000 0.486 417 V N 1.214 121.113 119.914 -0.025 0.000 2.417 417 V HA 0.182 4.303 4.120 0.002 0.000 0.291 417 V C 0.823 177.014 176.094 0.162 0.000 1.024 417 V CA -0.691 61.630 62.300 0.036 0.000 0.861 417 V CB 1.979 33.753 31.823 -0.082 0.000 0.985 417 V HN 0.272 nan 8.190 nan 0.000 0.436 418 T N 6.209 120.809 114.554 0.077 0.000 2.933 418 T HA 0.397 4.748 4.350 0.002 0.000 0.306 418 T C -0.247 174.508 174.700 0.091 0.000 1.045 418 T CA 0.908 62.973 62.100 -0.060 0.000 1.143 418 T CB 0.130 68.812 68.868 -0.310 0.000 1.003 418 T HN 0.576 nan 8.240 nan 0.000 0.540 419 I N 2.314 122.865 120.570 -0.031 0.000 2.947 419 I HA 0.617 4.788 4.170 0.002 0.000 0.301 419 I C -1.752 174.383 176.117 0.030 0.000 1.453 419 I CA -0.815 60.512 61.300 0.045 0.000 0.984 419 I CB 1.943 39.902 38.000 -0.068 0.000 1.333 419 I HN 0.451 nan 8.210 nan 0.000 0.475 420 V N 4.920 124.912 119.914 0.130 0.000 2.686 420 V HA 0.542 4.663 4.120 0.002 0.000 0.306 420 V C -1.286 174.859 176.094 0.086 0.000 1.065 420 V CA -0.240 62.139 62.300 0.132 0.000 0.894 420 V CB 2.035 34.024 31.823 0.277 0.000 1.004 420 V HN 0.900 nan 8.190 nan 0.000 0.424 421 D N 4.225 124.649 120.400 0.041 0.000 2.358 421 D HA 0.172 4.813 4.640 0.002 0.000 0.244 421 D C 1.317 177.615 176.300 -0.004 0.000 1.163 421 D CA 0.251 54.257 54.000 0.011 0.000 0.945 421 D CB 0.432 41.200 40.800 -0.054 0.000 1.152 421 D HN 0.736 nan 8.370 nan 0.000 0.451 422 H N -0.327 118.679 119.070 -0.106 0.000 2.489 422 H HA -0.133 4.424 4.556 0.002 0.000 0.293 422 H C 0.953 176.185 175.328 -0.160 0.000 1.066 422 H CA 1.269 57.218 56.048 -0.165 0.000 1.305 422 H CB -0.512 29.091 29.762 -0.264 0.000 1.386 422 H HN 0.514 nan 8.280 nan 0.000 0.551 423 H N 1.076 119.962 119.070 -0.305 0.000 2.343 423 H HA 0.172 4.729 4.556 0.002 0.000 0.303 423 H C 2.524 177.832 175.328 -0.034 0.000 1.068 423 H CA 1.266 57.221 56.048 -0.154 0.000 1.359 423 H CB -0.238 29.395 29.762 -0.215 0.000 1.402 423 H HN 0.500 nan 8.280 nan 0.000 0.515 424 A N 1.439 124.311 122.820 0.087 0.000 1.902 424 A HA -0.088 4.233 4.320 0.002 0.000 0.217 424 A C 2.694 180.348 177.584 0.118 0.000 1.181 424 A CA 1.782 53.873 52.037 0.091 0.000 0.623 424 A CB -0.851 18.193 19.000 0.073 0.000 0.818 424 A HN 0.422 nan 8.150 nan 0.000 0.443 425 A N -0.165 122.725 122.820 0.116 0.000 1.883 425 A HA -0.143 4.178 4.320 0.002 0.000 0.217 425 A C 2.455 180.139 177.584 0.167 0.000 1.186 425 A CA 2.744 54.868 52.037 0.145 0.000 0.624 425 A CB -1.491 17.582 19.000 0.121 0.000 0.822 425 A HN 0.779 nan 8.150 nan 0.000 0.444 426 T N -2.838 111.800 114.554 0.140 0.000 2.904 426 T HA -0.045 4.306 4.350 0.002 0.000 0.267 426 T C 1.667 176.502 174.700 0.224 0.000 1.059 426 T CA 1.276 63.486 62.100 0.184 0.000 1.137 426 T CB -0.582 68.363 68.868 0.128 0.000 0.879 426 T HN 0.049 nan 8.240 nan 0.000 0.467 427 V N 2.740 122.758 119.914 0.174 0.000 2.358 427 V HA -0.151 3.970 4.120 0.002 0.000 0.246 427 V C 3.189 179.372 176.094 0.150 0.000 1.047 427 V CA 2.067 64.457 62.300 0.149 0.000 1.035 427 V CB -0.792 31.100 31.823 0.115 0.000 0.658 427 V HN 0.791 nan 8.190 nan 0.000 0.452 428 S N -0.444 115.355 115.700 0.165 0.000 2.428 428 S HA -0.180 4.291 4.470 0.002 0.000 0.230 428 S C 1.948 176.668 174.600 0.201 0.000 1.014 428 S CA 1.267 59.564 58.200 0.161 0.000 0.957 428 S CB -0.662 62.636 63.200 0.164 0.000 0.784 428 S HN 0.506 nan 8.310 nan 0.000 0.499 429 F N 2.200 122.217 119.950 0.111 0.000 2.186 429 F HA 0.111 4.639 4.527 0.002 0.000 0.299 429 F C 2.220 178.112 175.800 0.154 0.000 1.090 429 F CA 1.129 59.210 58.000 0.135 0.000 1.307 429 F CB -0.330 38.728 39.000 0.097 0.000 1.019 429 F HN 0.104 nan 8.300 nan 0.000 0.489 430 M N 0.173 119.829 119.600 0.092 0.000 2.117 430 M HA -0.180 4.301 4.480 0.002 0.000 0.262 430 M C 2.208 178.474 176.300 -0.057 0.000 1.065 430 M CA 1.518 56.822 55.300 0.007 0.000 1.114 430 M CB -1.238 31.420 32.600 0.096 0.000 1.361 430 M HN 0.072 nan 8.290 nan 0.000 0.408 431 K N -0.276 120.125 120.400 0.001 0.000 2.057 431 K HA -0.202 4.119 4.320 0.002 0.000 0.207 431 K C 1.978 178.555 176.600 -0.038 0.000 1.049 431 K CA 1.786 58.072 56.287 -0.001 0.000 0.931 431 K CB -0.691 31.834 32.500 0.042 0.000 0.714 431 K HN 0.405 nan 8.250 nan 0.000 0.440 432 H N -0.016 118.966 119.070 -0.147 0.000 2.353 432 H HA 0.006 4.563 4.556 0.002 0.000 0.300 432 H C 1.716 176.882 175.328 -0.270 0.000 1.090 432 H CA 2.120 58.057 56.048 -0.185 0.000 1.327 432 H CB -0.181 29.450 29.762 -0.219 0.000 1.383 432 H HN 0.181 nan 8.280 nan 0.000 0.508 433 L N -0.201 120.705 121.223 -0.529 0.000 2.083 433 L HA -0.156 4.185 4.340 0.002 0.000 0.209 433 L C 2.243 178.939 176.870 -0.291 0.000 1.083 433 L CA 1.713 56.267 54.840 -0.477 0.000 0.752 433 L CB -0.390 41.451 42.059 -0.363 0.000 0.899 433 L HN 0.390 nan 8.230 nan 0.000 0.433 434 D N -0.164 120.116 120.400 -0.201 0.000 2.117 434 D HA -0.172 4.469 4.640 0.002 0.000 0.198 434 D C 1.910 178.136 176.300 -0.123 0.000 0.982 434 D CA 1.083 55.009 54.000 -0.122 0.000 0.828 434 D CB 0.062 40.819 40.800 -0.072 0.000 0.967 434 D HN 0.119 nan 8.370 nan 0.000 0.464 435 N N 0.639 119.254 118.700 -0.141 0.000 2.069 435 N HA -0.140 4.601 4.740 0.002 0.000 0.191 435 N C 1.610 177.044 175.510 -0.126 0.000 1.031 435 N CA 0.948 53.939 53.050 -0.098 0.000 0.852 435 N CB -0.296 38.160 38.487 -0.051 0.000 1.018 435 N HN 0.347 nan 8.380 nan 0.000 0.423 436 E N 0.546 120.591 120.200 -0.259 0.000 2.150 436 E HA -0.155 4.196 4.350 0.002 0.000 0.193 436 E C 1.859 178.377 176.600 -0.137 0.000 0.985 436 E CA 0.533 56.791 56.400 -0.238 0.000 0.814 436 E CB -0.108 29.345 29.700 -0.412 0.000 0.752 436 E HN 0.355 nan 8.360 nan 0.000 0.466 437 Q N 1.413 121.138 119.800 -0.125 0.000 2.119 437 Q HA -0.104 4.237 4.340 0.002 0.000 0.201 437 Q C 1.706 177.676 176.000 -0.049 0.000 0.972 437 Q CA 1.555 57.316 55.803 -0.071 0.000 0.847 437 Q CB 0.103 28.802 28.738 -0.065 0.000 0.903 437 Q HN 0.121 nan 8.270 nan 0.000 0.433 438 K N -1.000 119.369 120.400 -0.051 0.000 2.137 438 K HA 0.105 4.426 4.320 0.002 0.000 0.202 438 K C 1.989 178.574 176.600 -0.024 0.000 1.052 438 K CA 0.837 57.104 56.287 -0.033 0.000 0.961 438 K CB -0.048 32.434 32.500 -0.029 0.000 0.741 438 K HN 0.210 nan 8.250 nan 0.000 0.452 439 A N 1.354 124.160 122.820 -0.024 0.000 1.898 439 A HA -0.046 4.275 4.320 0.002 0.000 0.214 439 A C 1.800 179.380 177.584 -0.006 0.000 1.183 439 A CA 1.092 53.128 52.037 -0.002 0.000 0.622 439 A CB -0.004 19.011 19.000 0.026 0.000 0.824 439 A HN 0.138 nan 8.150 nan 0.000 0.444 440 R N -2.397 118.089 120.500 -0.023 0.000 2.531 440 R HA 0.260 4.601 4.340 0.002 0.000 0.316 440 R C 0.831 177.128 176.300 -0.006 0.000 0.955 440 R CA 0.509 56.601 56.100 -0.013 0.000 1.120 440 R CB 0.669 30.957 30.300 -0.021 0.000 1.361 440 R HN 0.672 nan 8.270 nan 0.000 0.534 441 G N 0.968 109.758 108.800 -0.017 0.000 2.147 441 G HA2 -0.197 3.764 3.960 0.002 0.000 0.244 441 G HA3 -0.197 3.764 3.960 0.002 0.000 0.244 441 G C 0.208 175.119 174.900 0.018 0.000 1.005 441 G CA 0.124 45.217 45.100 -0.012 0.000 0.713 441 G HN 0.719 nan 8.290 nan 0.000 0.515 442 G N -2.472 106.341 108.800 0.023 0.000 2.337 442 G HA2 0.547 4.508 3.960 0.002 0.000 0.298 442 G HA3 0.547 4.508 3.960 0.002 0.000 0.298 442 G C -0.853 174.085 174.900 0.063 0.000 1.335 442 G CA 0.377 45.523 45.100 0.077 0.000 0.875 442 G HN 1.946 nan 8.290 nan 0.000 0.579 443 C N 1.975 121.342 119.300 0.112 0.000 2.833 443 C HA 0.691 5.152 4.460 0.002 0.000 0.383 443 C C -2.574 172.411 174.990 -0.008 0.000 1.058 443 C CA -1.150 57.878 59.018 0.016 0.000 1.259 443 C CB 1.251 28.939 27.740 -0.086 0.000 1.726 443 C HN 0.706 nan 8.230 nan 0.000 0.484 444 P HA 0.385 nan 4.420 nan 0.000 0.266 444 P C -0.612 176.595 177.300 -0.155 0.000 1.215 444 P CA 0.647 63.381 63.100 -0.611 0.000 0.763 444 P CB 0.974 32.055 31.700 -1.032 0.000 0.806 445 A N 2.823 125.630 122.820 -0.022 0.000 2.455 445 A HA 0.416 4.737 4.320 0.002 0.000 0.300 445 A C -1.008 176.642 177.584 0.109 0.000 1.040 445 A CA -0.553 51.550 52.037 0.111 0.000 0.697 445 A CB 1.306 20.484 19.000 0.296 0.000 1.265 445 A HN 0.421 nan 8.150 nan 0.000 0.407 446 D N 2.016 122.468 120.400 0.087 0.000 2.467 446 D HA 0.139 4.780 4.640 0.002 0.000 0.220 446 D C 0.874 177.317 176.300 0.239 0.000 1.103 446 D CA -0.500 53.587 54.000 0.144 0.000 0.886 446 D CB 0.291 41.119 40.800 0.048 0.000 1.025 446 D HN 0.608 nan 8.370 nan 0.000 0.514 447 W N 4.226 125.576 121.300 0.083 0.000 2.290 447 W HA -0.356 4.305 4.660 0.002 0.000 0.318 447 W C 1.906 178.465 176.519 0.067 0.000 1.248 447 W CA 2.490 59.870 57.345 0.058 0.000 1.263 447 W CB 0.048 29.520 29.460 0.019 0.000 1.147 447 W HN 0.545 nan 8.180 nan 0.000 0.494 448 A N -1.374 121.737 122.820 0.484 0.000 2.019 448 A HA -0.193 4.128 4.320 0.002 0.000 0.219 448 A C 1.470 179.115 177.584 0.102 0.000 1.164 448 A CA 1.638 53.876 52.037 0.335 0.000 0.644 448 A CB -1.233 17.991 19.000 0.374 0.000 0.805 448 A HN 0.541 nan 8.150 nan 0.000 0.449 449 W N -0.874 120.407 121.300 -0.033 0.000 2.630 449 W HA 0.184 4.845 4.660 0.002 0.000 0.271 449 W C 1.867 178.280 176.519 -0.177 0.000 1.244 449 W CA -0.085 57.215 57.345 -0.075 0.000 1.353 449 W CB -0.107 29.334 29.460 -0.032 0.000 1.080 449 W HN 0.127 nan 8.180 nan 0.000 0.594 450 I N -0.051 120.485 120.570 -0.057 0.000 2.286 450 I HA -0.086 4.085 4.170 0.002 0.000 0.245 450 I C 0.709 176.629 176.117 -0.328 0.000 1.104 450 I CA 0.810 61.940 61.300 -0.283 0.000 1.397 450 I CB -1.589 36.172 38.000 -0.399 0.000 1.072 450 I HN -0.404 nan 8.210 nan 0.000 0.417 451 V N 3.826 123.465 119.914 -0.458 0.000 2.521 451 V HA 0.090 4.211 4.120 0.002 0.000 0.286 451 V C -1.911 174.004 176.094 -0.297 0.000 1.034 451 V CA -1.098 60.916 62.300 -0.477 0.000 1.045 451 V CB 0.177 31.461 31.823 -0.899 0.000 0.974 451 V HN 0.127 nan 8.190 nan 0.000 0.480 452 P HA 0.105 nan 4.420 nan 0.000 0.268 452 P C -1.756 175.413 177.300 -0.218 0.000 1.208 452 P CA -1.042 61.929 63.100 -0.214 0.000 0.777 452 P CB 0.050 31.618 31.700 -0.220 0.000 0.875 453 P HA -0.020 nan 4.420 nan 0.000 0.230 453 P C 0.196 177.387 177.300 -0.182 0.000 1.158 453 P CA 1.204 64.187 63.100 -0.196 0.000 0.769 453 P CB 0.015 31.592 31.700 -0.204 0.000 0.807 454 I N -6.753 113.673 120.570 -0.241 0.000 2.828 454 I HA 0.464 4.635 4.170 0.002 0.000 0.302 454 I C -0.145 175.853 176.117 -0.198 0.000 1.101 454 I CA -1.219 59.955 61.300 -0.210 0.000 1.031 454 I CB 2.071 39.927 38.000 -0.240 0.000 1.231 454 I HN -0.394 nan 8.210 nan 0.000 0.427 455 S N 2.307 117.947 115.700 -0.101 0.000 3.581 455 S HA -0.194 4.277 4.470 0.002 0.000 0.354 455 S C 1.365 175.938 174.600 -0.046 0.000 1.059 455 S CA 0.805 58.985 58.200 -0.033 0.000 1.060 455 S CB -1.739 61.506 63.200 0.076 0.000 0.908 455 S HN 1.282 nan 8.310 nan 0.000 0.475 456 G N 2.377 111.131 108.800 -0.077 0.000 2.631 456 G HA2 -0.337 3.624 3.960 0.002 0.000 0.219 456 G HA3 -0.337 3.624 3.960 0.002 0.000 0.219 456 G C 1.459 176.253 174.900 -0.177 0.000 1.214 456 G CA 1.588 46.660 45.100 -0.047 0.000 0.785 456 G HN 1.305 nan 8.290 nan 0.000 0.596 457 S N -0.071 115.266 115.700 -0.604 0.000 2.555 457 S HA 0.118 4.589 4.470 0.002 0.000 0.230 457 S C 1.908 176.450 174.600 -0.097 0.000 0.978 457 S CA 0.656 58.345 58.200 -0.852 0.000 0.934 457 S CB -0.027 62.506 63.200 -1.111 0.000 0.766 457 S HN 0.067 nan 8.310 nan 0.000 0.533 458 L N 2.443 123.660 121.223 -0.010 0.000 2.554 458 L HA 0.246 4.587 4.340 0.002 0.000 0.226 458 L C 1.301 178.303 176.870 0.219 0.000 1.137 458 L CA 0.632 55.548 54.840 0.127 0.000 0.863 458 L CB -1.030 41.133 42.059 0.174 0.000 0.985 458 L HN 0.597 nan 8.230 nan 0.000 0.451 459 T N -4.640 110.032 114.554 0.197 0.000 2.918 459 T HA 0.391 4.742 4.350 0.002 0.000 0.286 459 T C -1.728 173.143 174.700 0.286 0.000 1.026 459 T CA -1.905 60.332 62.100 0.228 0.000 1.031 459 T CB 2.022 70.977 68.868 0.145 0.000 1.046 459 T HN -0.170 nan 8.240 nan 0.000 0.479 460 P HA -0.089 nan 4.420 nan 0.000 0.220 460 P C 1.807 179.301 177.300 0.322 0.000 1.148 460 P CA 1.067 64.356 63.100 0.315 0.000 0.803 460 P CB -0.340 31.494 31.700 0.223 0.000 0.782 461 V N -3.584 116.472 119.914 0.236 0.000 2.626 461 V HA -0.197 3.924 4.120 0.002 0.000 0.252 461 V C 2.396 178.567 176.094 0.129 0.000 1.067 461 V CA 1.277 63.684 62.300 0.179 0.000 1.081 461 V CB -2.251 29.614 31.823 0.070 0.000 0.686 461 V HN -0.112 nan 8.190 nan 0.000 0.468 462 F N 2.048 121.953 119.950 -0.074 0.000 2.161 462 F HA -0.161 4.367 4.527 0.001 0.000 0.300 462 F C 2.441 178.319 175.800 0.130 0.000 1.089 462 F CA 2.192 60.141 58.000 -0.085 0.000 1.282 462 F CB -0.380 38.460 39.000 -0.266 0.000 1.010 462 F HN 0.286 nan 8.300 nan 0.000 0.485 463 H N -0.894 118.541 119.070 0.608 0.000 2.539 463 H HA 0.099 4.655 4.556 0.002 0.000 0.267 463 H C 0.296 175.896 175.328 0.455 0.000 0.982 463 H CA 0.278 56.643 56.048 0.528 0.000 1.146 463 H CB -0.239 29.796 29.762 0.455 0.000 1.382 463 H HN 0.269 nan 8.280 nan 0.000 0.577 464 Q N 1.837 121.916 119.800 0.464 0.000 2.314 464 Q HA 0.172 4.513 4.340 0.002 0.000 0.259 464 Q C -0.637 175.605 176.000 0.404 0.000 0.951 464 Q CA -0.450 55.578 55.803 0.374 0.000 0.909 464 Q CB 0.958 29.877 28.738 0.301 0.000 1.236 464 Q HN 0.210 nan 8.270 nan 0.000 0.444 465 E N 3.481 123.867 120.200 0.310 0.000 2.354 465 E HA 0.289 4.640 4.350 0.002 0.000 0.269 465 E C -0.533 176.211 176.600 0.241 0.000 1.036 465 E CA 0.139 56.686 56.400 0.245 0.000 0.876 465 E CB 0.905 30.720 29.700 0.191 0.000 1.009 465 E HN 0.603 nan 8.360 nan 0.000 0.416 466 M N 1.592 121.343 119.600 0.252 0.000 2.591 466 M HA 0.408 4.889 4.480 0.002 0.000 0.306 466 M C -1.125 175.297 176.300 0.203 0.000 1.190 466 M CA -1.065 54.388 55.300 0.255 0.000 0.889 466 M CB 2.347 35.154 32.600 0.345 0.000 1.728 466 M HN 0.159 nan 8.290 nan 0.000 0.458 467 V N 1.758 121.805 119.914 0.222 0.000 2.448 467 V HA 0.457 4.578 4.120 0.002 0.000 0.295 467 V C -0.671 175.593 176.094 0.284 0.000 1.025 467 V CA -0.778 61.680 62.300 0.263 0.000 0.859 467 V CB 1.601 33.619 31.823 0.325 0.000 0.988 467 V HN 0.781 nan 8.190 nan 0.000 0.431 468 N N 3.822 122.670 118.700 0.247 0.000 2.400 468 N HA 0.661 5.402 4.740 0.002 0.000 0.288 468 N C -1.168 174.490 175.510 0.246 0.000 1.024 468 N CA -0.351 52.777 53.050 0.130 0.000 0.894 468 N CB 1.345 39.885 38.487 0.087 0.000 1.173 468 N HN 0.672 nan 8.380 nan 0.000 0.487 469 Y N 0.311 120.627 120.300 0.027 0.000 2.725 469 Y HA 0.592 5.143 4.550 0.002 0.000 0.333 469 Y C -1.224 174.675 175.900 -0.002 0.000 1.242 469 Y CA -1.251 56.857 58.100 0.013 0.000 1.059 469 Y CB 0.754 39.226 38.460 0.020 0.000 1.306 469 Y HN 0.204 nan 8.280 nan 0.000 0.454 470 I N 3.053 123.706 120.570 0.138 0.000 2.362 470 I HA 0.470 4.641 4.170 0.002 0.000 0.289 470 I C -0.813 175.355 176.117 0.085 0.000 0.994 470 I CA -0.506 60.815 61.300 0.035 0.000 1.158 470 I CB 1.284 39.295 38.000 0.018 0.000 1.315 470 I HN 0.427 nan 8.210 nan 0.000 0.451 471 L N 4.528 125.765 121.223 0.024 0.000 2.322 471 L HA 0.611 4.952 4.340 0.002 0.000 0.269 471 L C -0.034 176.831 176.870 -0.009 0.000 1.012 471 L CA -0.605 54.262 54.840 0.046 0.000 0.815 471 L CB 2.118 44.201 42.059 0.040 0.000 1.295 471 L HN 0.516 nan 8.230 nan 0.000 0.438 472 S N 0.954 116.659 115.700 0.009 0.000 2.513 472 S HA 0.623 5.094 4.470 0.002 0.000 0.299 472 S C -2.589 172.019 174.600 0.014 0.000 1.087 472 S CA -1.428 56.763 58.200 -0.015 0.000 1.012 472 S CB 1.885 65.091 63.200 0.010 0.000 1.044 472 S HN 0.225 nan 8.310 nan 0.000 0.485 473 P HA 0.368 nan 4.420 nan 0.000 0.267 473 P C -1.372 175.803 177.300 -0.208 0.000 1.201 473 P CA 0.035 63.036 63.100 -0.165 0.000 0.775 473 P CB 0.493 32.053 31.700 -0.235 0.000 0.854 474 A N 1.638 124.297 122.820 -0.270 0.000 2.594 474 A HA 0.665 4.986 4.320 0.002 0.000 0.295 474 A C -1.611 175.770 177.584 -0.339 0.000 1.071 474 A CA -0.451 51.433 52.037 -0.255 0.000 0.685 474 A CB 0.791 19.709 19.000 -0.137 0.000 1.285 474 A HN 0.291 nan 8.150 nan 0.000 0.405 475 F N 1.109 120.964 119.950 -0.159 0.000 2.410 475 F HA 0.683 5.211 4.527 0.002 0.000 0.349 475 F C 0.943 176.620 175.800 -0.205 0.000 1.117 475 F CA 0.278 58.183 58.000 -0.159 0.000 1.104 475 F CB 1.707 40.572 39.000 -0.225 0.000 1.122 475 F HN 0.581 nan 8.300 nan 0.000 0.483 476 R N 1.463 121.971 120.500 0.013 0.000 2.888 476 R HA 0.518 4.859 4.340 0.002 0.000 0.266 476 R C -1.456 174.804 176.300 -0.067 0.000 1.020 476 R CA -1.126 54.905 56.100 -0.115 0.000 0.963 476 R CB 1.627 31.896 30.300 -0.052 0.000 1.197 476 R HN 0.375 nan 8.270 nan 0.000 0.481 477 Y N 1.082 121.398 120.300 0.027 0.000 2.300 477 Y HA 0.226 4.777 4.550 0.002 0.000 0.328 477 Y C 0.432 176.330 175.900 -0.004 0.000 1.270 477 Y CA -0.291 57.817 58.100 0.013 0.000 1.352 477 Y CB 0.960 39.415 38.460 -0.009 0.000 1.286 477 Y HN 0.436 nan 8.280 nan 0.000 0.536 478 Q N 0.692 120.588 119.800 0.160 0.000 2.462 478 Q HA 0.616 4.957 4.340 0.002 0.000 0.285 478 Q C -3.152 172.819 176.000 -0.048 0.000 1.035 478 Q CA -2.442 53.386 55.803 0.041 0.000 0.799 478 Q CB 1.992 30.748 28.738 0.030 0.000 1.452 478 Q HN 0.267 nan 8.270 nan 0.000 0.404 479 P HA 0.045 nan 4.420 nan 0.000 0.268 479 P C -0.983 176.117 177.300 -0.334 0.000 1.208 479 P CA 0.079 63.057 63.100 -0.204 0.000 0.777 479 P CB 0.387 31.979 31.700 -0.179 0.000 0.875 480 D N 3.310 123.381 120.400 -0.548 0.000 2.390 480 D HA 0.019 4.660 4.640 0.002 0.000 0.249 480 D C -1.009 174.722 176.300 -0.949 0.000 1.144 480 D CA -1.104 52.311 54.000 -0.974 0.000 0.880 480 D CB 0.462 40.263 40.800 -1.665 0.000 1.182 480 D HN 0.290 nan 8.370 nan 0.000 0.451 481 P HA -0.110 nan 4.420 nan 0.000 0.221 481 P C 0.308 177.275 177.300 -0.555 0.000 1.145 481 P CA 0.923 63.646 63.100 -0.628 0.000 0.795 481 P CB 0.112 31.407 31.700 -0.674 0.000 0.775 482 W N 0.000 120.854 121.300 -0.744 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.082 57.345 -0.438 0.000 1.226 482 W CB 0.000 29.189 29.460 -0.452 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535