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 3nse_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 0.000 176.427 176.600 -0.289 0.000 0.988 69 K CA 0.000 56.093 56.287 -0.324 0.000 0.838 69 K CB 0.000 32.135 32.500 -0.609 0.000 1.064 70 F N 5.831 125.783 119.950 0.004 0.000 2.444 70 F HA 0.305 4.833 4.527 0.002 0.000 0.360 70 F C -1.859 174.007 175.800 0.110 0.000 1.106 70 F CA -2.099 55.922 58.000 0.035 0.000 1.170 70 F CB 0.351 39.370 39.000 0.032 0.000 1.113 70 F HN 0.019 nan 8.300 nan 0.000 0.521 71 P HA 0.038 nan 4.420 nan 0.000 0.267 71 P C -0.429 176.980 177.300 0.182 0.000 1.205 71 P CA -0.412 62.794 63.100 0.177 0.000 0.765 71 P CB 0.831 32.598 31.700 0.112 0.000 0.828 72 R N 2.749 123.318 120.500 0.115 0.000 2.234 72 R HA 0.366 4.707 4.340 0.002 0.000 0.324 72 R C -0.908 175.314 176.300 -0.129 0.000 1.054 72 R CA -0.461 55.557 56.100 -0.135 0.000 0.912 72 R CB 0.380 30.657 30.300 -0.038 0.000 1.030 72 R HN 0.279 nan 8.270 nan 0.000 0.455 73 V N 4.822 124.608 119.914 -0.212 0.000 2.495 73 V HA 0.409 4.530 4.120 0.002 0.000 0.298 73 V C -0.277 175.728 176.094 -0.149 0.000 1.031 73 V CA -0.803 61.439 62.300 -0.097 0.000 0.871 73 V CB 1.483 33.286 31.823 -0.033 0.000 0.988 73 V HN 0.737 nan 8.190 nan 0.000 0.432 74 K N 3.447 123.782 120.400 -0.107 0.000 2.318 74 K HA 0.444 4.765 4.320 0.002 0.000 0.249 74 K C -0.829 175.672 176.600 -0.165 0.000 0.942 74 K CA -0.712 55.431 56.287 -0.241 0.000 0.808 74 K CB 1.798 33.999 32.500 -0.497 0.000 1.189 74 K HN 0.746 nan 8.250 nan 0.000 0.428 75 N N 3.968 122.560 118.700 -0.179 0.000 2.444 75 N HA 0.107 4.848 4.740 0.002 0.000 0.262 75 N C -0.281 175.176 175.510 -0.089 0.000 0.974 75 N CA -0.364 52.690 53.050 0.007 0.000 0.933 75 N CB 0.504 39.019 38.487 0.047 0.000 1.137 75 N HN 0.675 nan 8.380 nan 0.000 0.498 76 W N 2.127 123.507 121.300 0.133 0.000 2.595 76 W HA 0.089 4.750 4.660 0.002 0.000 0.257 76 W C 2.088 178.653 176.519 0.076 0.000 1.267 76 W CA -0.020 57.393 57.345 0.113 0.000 1.300 76 W CB 0.235 29.788 29.460 0.154 0.000 1.120 76 W HN 0.664 nan 8.180 nan 0.000 0.618 77 E N 0.490 120.832 120.200 0.237 0.000 2.086 77 E HA -0.106 4.245 4.350 0.002 0.000 0.190 77 E C 1.708 178.337 176.600 0.048 0.000 0.975 77 E CA 1.000 57.449 56.400 0.081 0.000 0.813 77 E CB -0.202 29.523 29.700 0.040 0.000 0.768 77 E HN 0.268 nan 8.360 nan 0.000 0.457 78 L N -0.868 120.381 121.223 0.043 0.000 2.513 78 L HA 0.321 4.662 4.340 0.002 0.000 0.222 78 L C 1.569 178.421 176.870 -0.031 0.000 1.096 78 L CA 0.402 55.247 54.840 0.008 0.000 0.857 78 L CB 0.483 42.550 42.059 0.013 0.000 1.026 78 L HN 0.404 nan 8.230 nan 0.000 0.469 79 G N 0.688 109.445 108.800 -0.071 0.000 2.168 79 G HA2 -0.319 3.642 3.960 0.002 0.000 0.263 79 G HA3 -0.319 3.642 3.960 0.002 0.000 0.263 79 G C 0.417 175.220 174.900 -0.161 0.000 0.977 79 G CA 0.486 45.497 45.100 -0.149 0.000 0.659 79 G HN 0.471 nan 8.290 nan 0.000 0.533 80 S N -0.588 115.039 115.700 -0.122 0.000 2.592 80 S HA 0.748 5.219 4.470 0.002 0.000 0.271 80 S C 0.120 174.625 174.600 -0.158 0.000 1.326 80 S CA -0.431 57.703 58.200 -0.110 0.000 1.024 80 S CB 2.103 65.263 63.200 -0.066 0.000 0.921 80 S HN 0.591 nan 8.310 nan 0.000 0.527 81 I N 1.501 121.978 120.570 -0.155 0.000 2.545 81 I HA 0.499 4.670 4.170 0.002 0.000 0.292 81 I C -0.183 175.799 176.117 -0.225 0.000 1.040 81 I CA -0.489 60.676 61.300 -0.224 0.000 1.068 81 I CB 2.612 40.460 38.000 -0.253 0.000 1.251 81 I HN 0.960 nan 8.210 nan 0.000 0.424 82 T N 1.027 115.407 114.554 -0.291 0.000 2.896 82 T HA 0.607 4.958 4.350 0.002 0.000 0.297 82 T C -1.240 173.232 174.700 -0.380 0.000 1.108 82 T CA -0.791 61.173 62.100 -0.227 0.000 1.004 82 T CB 1.553 70.360 68.868 -0.102 0.000 1.159 82 T HN 0.248 nan 8.240 nan 0.000 0.499 83 Y N 0.702 120.984 120.300 -0.030 0.000 2.328 83 Y HA 0.405 4.956 4.550 0.002 0.000 0.336 83 Y C 0.225 176.098 175.900 -0.044 0.000 0.960 83 Y CA -0.972 57.115 58.100 -0.022 0.000 1.134 83 Y CB 1.438 39.873 38.460 -0.042 0.000 1.166 83 Y HN 0.711 nan 8.280 nan 0.000 0.464 84 D N 2.479 122.949 120.400 0.117 0.000 2.352 84 D HA 0.037 4.678 4.640 0.002 0.000 0.245 84 D C 0.780 177.114 176.300 0.058 0.000 1.224 84 D CA 0.279 54.323 54.000 0.073 0.000 0.879 84 D CB 1.086 41.944 40.800 0.097 0.000 1.057 84 D HN 0.781 nan 8.370 nan 0.000 0.491 85 T N 1.065 115.563 114.554 -0.093 0.000 3.022 85 T HA -0.039 4.312 4.350 0.002 0.000 0.250 85 T C 1.780 176.450 174.700 -0.050 0.000 1.060 85 T CA -0.289 61.649 62.100 -0.269 0.000 1.013 85 T CB 0.159 68.654 68.868 -0.622 0.000 0.982 85 T HN 0.247 nan 8.240 nan 0.000 0.508 86 L N 2.431 123.633 121.223 -0.035 0.000 2.141 86 L HA 0.094 4.435 4.340 0.002 0.000 0.209 86 L C 2.600 179.388 176.870 -0.136 0.000 1.094 86 L CA 1.061 55.902 54.840 0.001 0.000 0.763 86 L CB -0.903 41.224 42.059 0.114 0.000 0.908 86 L HN 0.649 nan 8.230 nan 0.000 0.437 87 C N -1.484 117.522 119.300 -0.489 0.000 2.409 87 C HA 0.022 4.483 4.460 0.002 0.000 0.288 87 C C 2.714 177.501 174.990 -0.338 0.000 1.395 87 C CA 0.218 58.638 59.018 -0.997 0.000 1.792 87 C CB -2.295 24.849 27.740 -0.994 0.000 1.847 87 C HN 0.566 nan 8.230 nan 0.000 0.534 88 A N 0.219 122.992 122.820 -0.078 0.000 2.119 88 A HA -0.029 4.292 4.320 0.002 0.000 0.217 88 A C 2.255 179.852 177.584 0.021 0.000 1.153 88 A CA 1.148 53.196 52.037 0.017 0.000 0.692 88 A CB -0.351 18.761 19.000 0.187 0.000 0.799 88 A HN 0.686 nan 8.150 nan 0.000 0.458 89 Q N 0.090 119.905 119.800 0.025 0.000 2.432 89 Q HA 0.076 4.417 4.340 0.002 0.000 0.205 89 Q C 0.821 176.863 176.000 0.071 0.000 0.945 89 Q CA 0.351 56.189 55.803 0.058 0.000 0.924 89 Q CB -0.665 28.121 28.738 0.079 0.000 1.016 89 Q HN 0.467 nan 8.270 nan 0.000 0.503 90 S N 1.401 117.141 115.700 0.067 0.000 2.525 90 S HA -0.000 4.471 4.470 0.002 0.000 0.285 90 S C 0.853 175.491 174.600 0.063 0.000 1.283 90 S CA 0.027 58.289 58.200 0.103 0.000 1.072 90 S CB 0.396 63.676 63.200 0.134 0.000 0.867 90 S HN 0.126 nan 8.310 nan 0.000 0.492 91 Q N 2.284 122.123 119.800 0.065 0.000 2.280 91 Q HA 0.245 4.586 4.340 0.002 0.000 0.228 91 Q C -0.049 175.976 176.000 0.042 0.000 0.857 91 Q CA 0.214 56.045 55.803 0.047 0.000 0.939 91 Q CB 0.380 29.146 28.738 0.048 0.000 1.114 91 Q HN 0.629 nan 8.270 nan 0.000 0.514 92 Q N 1.408 121.237 119.800 0.049 0.000 2.271 92 Q HA 0.212 4.553 4.340 0.002 0.000 0.258 92 Q C -0.954 175.073 176.000 0.045 0.000 0.936 92 Q CA -0.211 55.616 55.803 0.039 0.000 0.909 92 Q CB 1.485 30.242 28.738 0.032 0.000 1.253 92 Q HN 0.076 nan 8.270 nan 0.000 0.440 93 D N 1.111 121.532 120.400 0.035 0.000 2.341 93 D HA 0.351 4.992 4.640 0.002 0.000 0.245 93 D C 0.219 176.542 176.300 0.038 0.000 1.106 93 D CA 0.207 54.228 54.000 0.035 0.000 0.905 93 D CB 1.117 41.932 40.800 0.026 0.000 1.202 93 D HN 0.624 nan 8.370 nan 0.000 0.426 94 G N 0.652 109.478 108.800 0.044 0.000 2.557 94 G HA2 0.374 4.335 3.960 0.002 0.000 0.302 94 G HA3 0.374 4.335 3.960 0.002 0.000 0.302 94 G C -1.679 173.243 174.900 0.037 0.000 1.311 94 G CA -0.819 44.308 45.100 0.044 0.000 1.030 94 G HN 0.309 nan 8.290 nan 0.000 0.509 95 P HA 0.116 nan 4.420 nan 0.000 0.245 95 P C 0.371 177.689 177.300 0.029 0.000 1.206 95 P CA -0.011 63.108 63.100 0.032 0.000 0.781 95 P CB 0.108 31.830 31.700 0.036 0.000 0.994 96 C N 0.728 120.048 119.300 0.033 0.000 2.520 96 C HA 0.611 5.072 4.460 0.002 0.000 0.376 96 C C 1.065 176.068 174.990 0.022 0.000 1.268 96 C CA 0.212 59.247 59.018 0.028 0.000 2.414 96 C CB 0.857 28.617 27.740 0.034 0.000 2.521 96 C HN 0.368 nan 8.230 nan 0.000 0.618 97 T N -1.672 112.892 114.554 0.016 0.000 2.792 97 T HA 0.400 4.751 4.350 0.002 0.000 0.303 97 T C -2.567 172.138 174.700 0.008 0.000 1.310 97 T CA -0.924 61.182 62.100 0.011 0.000 1.007 97 T CB 1.113 69.986 68.868 0.008 0.000 1.335 97 T HN 0.244 nan 8.240 nan 0.000 0.504 98 P HA 0.056 nan 4.420 nan 0.000 0.220 98 P C 1.548 178.849 177.300 0.002 0.000 1.148 98 P CA 0.560 63.661 63.100 0.003 0.000 0.803 98 P CB 0.127 31.827 31.700 -0.000 0.000 0.782 99 R N -0.021 120.480 120.500 0.003 0.000 2.092 99 R HA -0.069 4.272 4.340 0.002 0.000 0.231 99 R C 0.543 176.844 176.300 0.002 0.000 1.119 99 R CA 1.013 57.114 56.100 0.002 0.000 0.970 99 R CB 0.141 30.442 30.300 0.002 0.000 0.864 99 R HN 0.087 nan 8.270 nan 0.000 0.440 100 R N -0.393 120.110 120.500 0.005 0.000 2.634 100 R HA 0.140 4.481 4.340 0.002 0.000 0.263 100 R C -1.828 174.478 176.300 0.009 0.000 1.060 100 R CA -0.739 55.364 56.100 0.005 0.000 0.898 100 R CB 0.084 30.387 30.300 0.005 0.000 1.253 100 R HN 0.083 nan 8.270 nan 0.000 0.461 101 C N 3.153 122.458 119.300 0.009 0.000 2.307 101 C HA 0.608 5.069 4.460 0.002 0.000 0.340 101 C C 0.097 175.099 174.990 0.020 0.000 1.275 101 C CA -0.559 58.468 59.018 0.014 0.000 1.811 101 C CB -0.515 27.230 27.740 0.008 0.000 2.372 101 C HN 0.651 nan 8.230 nan 0.000 0.531 102 L N 6.054 127.295 121.223 0.029 0.000 3.110 102 L HA 0.357 4.698 4.340 0.002 0.000 0.266 102 L C 1.940 178.841 176.870 0.053 0.000 1.257 102 L CA 0.642 55.504 54.840 0.037 0.000 1.038 102 L CB 0.003 42.081 42.059 0.032 0.000 1.395 102 L HN 1.042 nan 8.230 nan 0.000 0.566 103 G N -0.735 108.100 108.800 0.057 0.000 2.509 103 G HA2 -0.221 3.740 3.960 0.002 0.000 0.218 103 G HA3 -0.221 3.740 3.960 0.002 0.000 0.218 103 G C 1.483 176.453 174.900 0.116 0.000 1.124 103 G CA 1.083 46.231 45.100 0.079 0.000 0.776 103 G HN 0.506 nan 8.290 nan 0.000 0.547 104 S N -0.261 115.504 115.700 0.107 0.000 2.558 104 S HA 0.298 4.769 4.470 0.002 0.000 0.217 104 S C 0.921 175.612 174.600 0.151 0.000 0.975 104 S CA -0.512 57.773 58.200 0.141 0.000 0.912 104 S CB -0.134 63.125 63.200 0.099 0.000 0.776 104 S HN 0.118 nan 8.310 nan 0.000 0.526 105 L N 2.342 123.635 121.223 0.117 0.000 2.367 105 L HA 0.237 4.577 4.340 0.002 0.000 0.275 105 L C 1.458 178.415 176.870 0.145 0.000 1.129 105 L CA -0.433 54.470 54.840 0.105 0.000 0.839 105 L CB 0.978 43.075 42.059 0.064 0.000 1.133 105 L HN 0.056 nan 8.230 nan 0.000 0.453 106 V N 4.476 124.487 119.914 0.162 0.000 2.323 106 V HA -0.148 3.973 4.120 0.002 0.000 0.244 106 V C 0.999 177.133 176.094 0.066 0.000 1.041 106 V CA 1.300 63.725 62.300 0.209 0.000 1.025 106 V CB -0.193 31.768 31.823 0.229 0.000 0.656 106 V HN 0.548 nan 8.190 nan 0.000 0.451 107 L N 1.639 122.850 121.223 -0.020 0.000 2.387 107 L HA 0.441 4.782 4.340 0.002 0.000 0.259 107 L C -2.624 174.236 176.870 -0.017 0.000 1.050 107 L CA -1.212 53.570 54.840 -0.096 0.000 0.922 107 L CB 0.947 42.873 42.059 -0.221 0.000 1.280 107 L HN 0.208 nan 8.230 nan 0.000 0.449 108 P HA 0.395 nan 4.420 nan 0.000 0.282 108 P C 0.279 177.599 177.300 0.032 0.000 1.259 108 P CA -0.729 62.389 63.100 0.031 0.000 0.826 108 P CB 1.143 32.869 31.700 0.043 0.000 1.064 109 R N 0.768 121.279 120.500 0.018 0.000 2.237 109 R HA -0.070 4.270 4.340 0.002 0.000 0.219 109 R C 1.587 177.902 176.300 0.025 0.000 1.080 109 R CA 0.947 57.056 56.100 0.015 0.000 0.995 109 R CB -0.200 30.102 30.300 0.004 0.000 0.875 109 R HN 0.352 nan 8.270 nan 0.000 0.462 110 K N 0.482 120.901 120.400 0.031 0.000 2.025 110 K HA -0.088 4.233 4.320 0.002 0.000 0.207 110 K C 1.803 178.426 176.600 0.039 0.000 1.049 110 K CA 0.851 57.156 56.287 0.031 0.000 0.933 110 K CB -0.430 32.089 32.500 0.031 0.000 0.714 110 K HN 0.138 nan 8.250 nan 0.000 0.438 111 L N 1.818 123.078 121.223 0.061 0.000 2.465 111 L HA 0.002 4.343 4.340 0.002 0.000 0.224 111 L C 0.931 177.863 176.870 0.102 0.000 1.145 111 L CA 0.944 55.827 54.840 0.072 0.000 0.834 111 L CB -0.542 41.585 42.059 0.114 0.000 0.944 111 L HN 0.149 nan 8.230 nan 0.000 0.451 112 Q N -0.446 119.414 119.800 0.099 0.000 2.260 112 Q HA 0.333 4.674 4.340 0.002 0.000 0.242 112 Q C -0.590 175.437 176.000 0.045 0.000 0.932 112 Q CA 0.050 55.908 55.803 0.092 0.000 0.891 112 Q CB 0.979 29.752 28.738 0.059 0.000 1.222 112 Q HN 0.345 nan 8.270 nan 0.000 0.453 113 T N 0.961 115.537 114.554 0.037 0.000 3.317 113 T HA 0.432 4.783 4.350 0.002 0.000 0.361 113 T C -0.040 174.660 174.700 -0.001 0.000 1.499 113 T CA -0.944 61.164 62.100 0.013 0.000 1.529 113 T CB 0.471 69.346 68.868 0.011 0.000 0.997 113 T HN 0.445 nan 8.240 nan 0.000 0.624 114 R N 2.099 122.593 120.500 -0.010 0.000 3.271 114 R HA 0.274 4.615 4.340 0.002 0.000 0.245 114 R C -0.912 175.371 176.300 -0.030 0.000 1.112 114 R CA -1.022 55.062 56.100 -0.027 0.000 1.102 114 R CB -0.487 29.797 30.300 -0.027 0.000 0.928 114 R HN 0.404 nan 8.270 nan 0.000 0.497 115 P HA -0.001 nan 4.420 nan 0.000 0.200 115 P C -0.512 176.775 177.300 -0.023 0.000 1.048 115 P CA 0.455 63.537 63.100 -0.030 0.000 0.734 115 P CB 0.007 31.686 31.700 -0.034 0.000 0.648 116 S N -2.335 113.353 115.700 -0.019 0.000 2.769 116 S HA 0.048 4.519 4.470 0.002 0.000 0.269 116 S C -2.585 172.008 174.600 -0.012 0.000 0.604 116 S CA -0.354 57.837 58.200 -0.015 0.000 1.254 116 S CB -2.009 61.182 63.200 -0.015 0.000 1.487 116 S HN 0.450 nan 8.310 nan 0.000 0.535 117 P HA 0.427 nan 4.420 nan 0.000 0.289 117 P C 0.476 177.773 177.300 -0.004 0.000 1.303 117 P CA 0.793 63.889 63.100 -0.006 0.000 0.946 117 P CB 0.670 32.367 31.700 -0.005 0.000 1.454 118 G N 1.858 110.655 108.800 -0.005 0.000 2.701 118 G HA2 0.539 4.500 3.960 0.002 0.000 0.300 118 G HA3 0.539 4.500 3.960 0.002 0.000 0.300 118 G C -3.069 171.829 174.900 -0.004 0.000 1.410 118 G CA -1.014 44.084 45.100 -0.003 0.000 1.014 118 G HN -0.146 nan 8.290 nan 0.000 0.509 119 P HA 0.155 nan 4.420 nan 0.000 0.266 119 P C -2.345 174.953 177.300 -0.003 0.000 1.193 119 P CA -0.616 62.480 63.100 -0.006 0.000 0.770 119 P CB 0.265 31.963 31.700 -0.002 0.000 0.836 120 P HA 0.100 nan 4.420 nan 0.000 0.262 120 P C -2.148 175.156 177.300 0.007 0.000 1.199 120 P CA -0.997 62.103 63.100 -0.000 0.000 0.763 120 P CB -0.622 31.077 31.700 -0.002 0.000 0.790 121 P HA -0.022 nan 4.420 nan 0.000 0.263 121 P C 1.014 178.323 177.300 0.014 0.000 1.195 121 P CA 0.038 63.144 63.100 0.010 0.000 0.762 121 P CB 0.685 32.390 31.700 0.008 0.000 0.799 122 A N 4.655 127.484 122.820 0.016 0.000 1.985 122 A HA -0.279 4.042 4.320 0.002 0.000 0.223 122 A C 2.107 179.699 177.584 0.013 0.000 1.189 122 A CA 1.727 53.775 52.037 0.018 0.000 0.658 122 A CB -0.852 18.157 19.000 0.015 0.000 0.820 122 A HN 0.585 nan 8.150 nan 0.000 0.464 123 E N -0.790 119.416 120.200 0.010 0.000 2.049 123 E HA -0.276 4.075 4.350 0.002 0.000 0.198 123 E C 2.207 178.814 176.600 0.012 0.000 1.007 123 E CA 1.720 58.125 56.400 0.008 0.000 0.809 123 E CB -0.453 29.251 29.700 0.007 0.000 0.749 123 E HN 0.896 nan 8.360 nan 0.000 0.450 124 Q N 0.211 120.021 119.800 0.016 0.000 2.046 124 Q HA -0.149 4.192 4.340 0.002 0.000 0.200 124 Q C 2.394 178.412 176.000 0.030 0.000 0.975 124 Q CA 0.994 56.810 55.803 0.021 0.000 0.836 124 Q CB -0.122 28.627 28.738 0.018 0.000 0.896 124 Q HN 0.162 nan 8.270 nan 0.000 0.428 125 L N 0.749 121.992 121.223 0.035 0.000 2.042 125 L HA -0.178 4.163 4.340 0.002 0.000 0.210 125 L C 2.158 179.055 176.870 0.046 0.000 1.076 125 L CA 1.519 56.395 54.840 0.059 0.000 0.749 125 L CB -0.788 41.314 42.059 0.072 0.000 0.893 125 L HN 0.365 nan 8.230 nan 0.000 0.432 126 L N -0.563 120.667 121.223 0.012 0.000 2.083 126 L HA -0.171 4.170 4.340 0.002 0.000 0.209 126 L C 2.712 179.577 176.870 -0.010 0.000 1.083 126 L CA 2.065 56.889 54.840 -0.027 0.000 0.752 126 L CB -0.771 41.273 42.059 -0.026 0.000 0.899 126 L HN 0.622 nan 8.230 nan 0.000 0.433 127 S N -2.008 113.702 115.700 0.016 0.000 2.406 127 S HA -0.178 4.293 4.470 0.002 0.000 0.228 127 S C 1.835 176.470 174.600 0.058 0.000 1.020 127 S CA 0.823 59.040 58.200 0.030 0.000 0.965 127 S CB -0.489 62.728 63.200 0.028 0.000 0.798 127 S HN 0.627 nan 8.310 nan 0.000 0.488 128 Q N 0.989 120.831 119.800 0.071 0.000 2.187 128 Q HA 0.190 4.531 4.340 0.002 0.000 0.199 128 Q C 2.546 178.645 176.000 0.166 0.000 0.957 128 Q CA 1.127 56.995 55.803 0.108 0.000 0.857 128 Q CB -0.415 28.379 28.738 0.094 0.000 0.929 128 Q HN 0.750 nan 8.270 nan 0.000 0.453 129 A N 1.413 124.306 122.820 0.121 0.000 1.872 129 A HA -0.157 4.164 4.320 0.002 0.000 0.214 129 A C 2.003 179.655 177.584 0.113 0.000 1.187 129 A CA 1.077 53.173 52.037 0.098 0.000 0.614 129 A CB -0.310 18.506 19.000 -0.307 0.000 0.826 129 A HN 0.176 nan 8.150 nan 0.000 0.442 130 R N -0.508 120.021 120.500 0.048 0.000 2.096 130 R HA -0.146 4.195 4.340 0.002 0.000 0.235 130 R C 1.951 178.327 176.300 0.127 0.000 1.127 130 R CA 1.542 57.682 56.100 0.066 0.000 0.968 130 R CB -0.438 29.877 30.300 0.025 0.000 0.861 130 R HN 0.697 nan 8.270 nan 0.000 0.440 131 D N 0.269 120.754 120.400 0.141 0.000 2.097 131 D HA -0.204 4.437 4.640 0.002 0.000 0.195 131 D C 1.627 178.054 176.300 0.211 0.000 0.989 131 D CA 0.968 55.062 54.000 0.157 0.000 0.827 131 D CB -0.068 40.821 40.800 0.147 0.000 0.966 131 D HN 0.117 nan 8.370 nan 0.000 0.456 132 F N 0.906 120.945 119.950 0.148 0.000 2.134 132 F HA -0.105 4.423 4.527 0.002 0.000 0.299 132 F C 1.932 177.872 175.800 0.232 0.000 1.097 132 F CA 1.081 59.202 58.000 0.201 0.000 1.264 132 F CB -0.253 38.871 39.000 0.206 0.000 1.001 132 F HN 0.006 nan 8.300 nan 0.000 0.479 133 I N 0.813 121.393 120.570 0.016 0.000 2.286 133 I HA -0.292 3.879 4.170 0.002 0.000 0.248 133 I C 1.967 178.117 176.117 0.054 0.000 1.115 133 I CA 1.132 62.443 61.300 0.018 0.000 1.392 133 I CB -1.624 36.514 38.000 0.230 0.000 1.065 133 I HN 0.241 nan 8.210 nan 0.000 0.418 134 N N 0.913 119.680 118.700 0.111 0.000 2.188 134 N HA -0.171 4.570 4.740 0.002 0.000 0.184 134 N C 1.845 177.313 175.510 -0.070 0.000 1.018 134 N CA 1.041 54.151 53.050 0.100 0.000 0.858 134 N CB -0.251 38.328 38.487 0.154 0.000 0.989 134 N HN 0.509 nan 8.380 nan 0.000 0.426 135 Q N -0.633 119.129 119.800 -0.063 0.000 2.084 135 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 135 Q C 1.753 177.523 176.000 -0.384 0.000 0.978 135 Q CA 1.191 56.964 55.803 -0.051 0.000 0.844 135 Q CB -0.227 28.625 28.738 0.192 0.000 0.898 135 Q HN 0.465 nan 8.270 nan 0.000 0.426 136 Y N 0.016 119.847 120.300 -0.782 0.000 2.133 136 Y HA -0.272 4.279 4.550 0.002 0.000 0.287 136 Y C 1.725 177.067 175.900 -0.930 0.000 1.134 136 Y CA 1.524 58.867 58.100 -1.262 0.000 1.133 136 Y CB -0.491 37.304 38.460 -1.108 0.000 0.987 136 Y HN 0.043 nan 8.280 nan 0.000 0.502 137 Y N -0.662 119.177 120.300 -0.769 0.000 2.403 137 Y HA -0.169 4.382 4.550 0.002 0.000 0.291 137 Y C 2.986 178.521 175.900 -0.609 0.000 1.143 137 Y CA 1.650 59.288 58.100 -0.769 0.000 1.257 137 Y CB -0.611 37.340 38.460 -0.848 0.000 0.984 137 Y HN 0.202 nan 8.280 nan 0.000 0.550 138 S N -0.901 114.558 115.700 -0.402 0.000 2.436 138 S HA -0.143 4.328 4.470 0.002 0.000 0.228 138 S C 2.316 176.749 174.600 -0.280 0.000 1.014 138 S CA 1.062 59.110 58.200 -0.253 0.000 0.950 138 S CB -0.457 62.653 63.200 -0.150 0.000 0.784 138 S HN 0.596 nan 8.310 nan 0.000 0.504 139 S N 2.213 117.634 115.700 -0.465 0.000 2.371 139 S HA -0.034 4.437 4.470 0.002 0.000 0.224 139 S C 1.707 176.093 174.600 -0.356 0.000 1.029 139 S CA 1.014 58.982 58.200 -0.386 0.000 0.978 139 S CB -0.912 61.913 63.200 -0.625 0.000 0.833 139 S HN 0.754 nan 8.310 nan 0.000 0.466 140 I N -2.547 117.703 120.570 -0.533 0.000 3.749 140 I HA 0.359 4.530 4.170 0.002 0.000 0.314 140 I C 0.392 176.368 176.117 -0.235 0.000 1.267 140 I CA -0.251 60.817 61.300 -0.387 0.000 1.169 140 I CB -0.175 37.512 38.000 -0.522 0.000 1.009 140 I HN -0.068 nan 8.210 nan 0.000 0.444 141 K N 0.709 120.985 120.400 -0.206 0.000 3.548 141 K HA -0.193 4.127 4.320 0.002 0.000 0.310 141 K C 0.731 177.280 176.600 -0.085 0.000 1.282 141 K CA 1.047 57.261 56.287 -0.122 0.000 1.008 141 K CB -1.585 30.865 32.500 -0.083 0.000 1.265 141 K HN 0.497 nan 8.250 nan 0.000 0.430 142 R N 1.063 121.515 120.500 -0.080 0.000 2.535 142 R HA 0.071 4.412 4.340 0.002 0.000 0.233 142 R C 0.313 176.612 176.300 -0.002 0.000 1.202 142 R CA 0.052 56.148 56.100 -0.006 0.000 1.205 142 R CB -0.238 30.107 30.300 0.074 0.000 1.153 142 R HN 0.131 nan 8.270 nan 0.000 0.512 143 S N 0.268 115.943 115.700 -0.042 0.000 2.560 143 S HA 0.248 4.719 4.470 0.002 0.000 0.323 143 S C 1.197 175.863 174.600 0.111 0.000 1.191 143 S CA 0.896 59.088 58.200 -0.013 0.000 1.231 143 S CB -0.275 62.904 63.200 -0.035 0.000 1.224 143 S HN 0.717 nan 8.310 nan 0.000 0.545 144 G N 2.967 111.922 108.800 0.259 0.000 2.480 144 G HA2 -0.218 3.743 3.960 0.002 0.000 0.193 144 G HA3 -0.218 3.743 3.960 0.002 0.000 0.193 144 G C 0.320 175.229 174.900 0.015 0.000 1.004 144 G CA 0.014 45.177 45.100 0.105 0.000 0.696 144 G HN 1.273 nan 8.290 nan 0.000 0.478 145 S N 0.298 116.003 115.700 0.009 0.000 2.611 145 S HA 0.297 4.768 4.470 0.002 0.000 0.252 145 S C 1.322 175.882 174.600 -0.067 0.000 1.369 145 S CA 0.906 59.089 58.200 -0.028 0.000 0.975 145 S CB 0.844 64.034 63.200 -0.016 0.000 0.937 145 S HN 0.172 nan 8.310 nan 0.000 0.584 146 Q N 0.381 120.146 119.800 -0.057 0.000 2.119 146 Q HA 0.002 4.343 4.340 0.002 0.000 0.201 146 Q C 2.600 178.544 176.000 -0.094 0.000 0.972 146 Q CA 1.712 57.475 55.803 -0.067 0.000 0.847 146 Q CB -1.236 27.480 28.738 -0.037 0.000 0.903 146 Q HN 0.898 nan 8.270 nan 0.000 0.433 147 A N -0.211 122.556 122.820 -0.089 0.000 1.978 147 A HA -0.233 4.088 4.320 0.002 0.000 0.220 147 A C 1.941 179.288 177.584 -0.395 0.000 1.170 147 A CA 1.796 53.775 52.037 -0.097 0.000 0.636 147 A CB -0.818 18.224 19.000 0.069 0.000 0.810 147 A HN 0.570 nan 8.150 nan 0.000 0.448 148 H N -1.177 117.414 119.070 -0.798 0.000 2.299 148 H HA -0.079 4.478 4.556 0.002 0.000 0.302 148 H C 1.935 176.987 175.328 -0.460 0.000 1.078 148 H CA 1.080 56.477 56.048 -1.084 0.000 1.323 148 H CB 0.109 29.426 29.762 -0.741 0.000 1.381 148 H HN 0.347 nan 8.280 nan 0.000 0.498 149 E N 0.630 120.656 120.200 -0.290 0.000 2.204 149 E HA -0.143 4.208 4.350 0.002 0.000 0.195 149 E C 1.950 178.464 176.600 -0.144 0.000 0.990 149 E CA 0.931 57.179 56.400 -0.253 0.000 0.821 149 E CB 0.026 29.610 29.700 -0.194 0.000 0.750 149 E HN 0.679 nan 8.360 nan 0.000 0.477 150 E N -0.112 120.023 120.200 -0.108 0.000 2.170 150 E HA -0.096 4.255 4.350 0.002 0.000 0.191 150 E C 2.078 178.673 176.600 -0.009 0.000 0.981 150 E CA 0.319 56.692 56.400 -0.046 0.000 0.830 150 E CB 0.067 29.753 29.700 -0.023 0.000 0.775 150 E HN -0.093 nan 8.360 nan 0.000 0.470 151 R N 1.199 121.700 120.500 0.002 0.000 2.115 151 R HA -0.041 4.300 4.340 0.002 0.000 0.230 151 R C 1.928 178.272 176.300 0.074 0.000 1.111 151 R CA 1.014 57.175 56.100 0.102 0.000 0.976 151 R CB -0.381 30.079 30.300 0.266 0.000 0.870 151 R HN 0.146 nan 8.270 nan 0.000 0.445 152 L N -0.225 121.007 121.223 0.015 0.000 2.109 152 L HA -0.095 4.246 4.340 0.002 0.000 0.207 152 L C 2.480 179.327 176.870 -0.037 0.000 1.086 152 L CA 1.400 56.228 54.840 -0.020 0.000 0.760 152 L CB -0.401 41.605 42.059 -0.089 0.000 0.910 152 L HN 0.256 nan 8.230 nan 0.000 0.437 153 Q N 0.398 120.176 119.800 -0.036 0.000 2.050 153 Q HA -0.233 4.108 4.340 0.002 0.000 0.202 153 Q C 2.050 178.047 176.000 -0.005 0.000 0.980 153 Q CA 1.737 57.524 55.803 -0.027 0.000 0.840 153 Q CB 0.064 28.788 28.738 -0.025 0.000 0.898 153 Q HN 0.422 nan 8.270 nan 0.000 0.424 154 E N -0.987 119.222 120.200 0.016 0.000 2.051 154 E HA -0.172 4.179 4.350 0.002 0.000 0.192 154 E C 2.016 178.639 176.600 0.039 0.000 0.991 154 E CA 1.468 57.894 56.400 0.043 0.000 0.799 154 E CB -0.007 29.739 29.700 0.076 0.000 0.748 154 E HN 0.202 nan 8.360 nan 0.000 0.449 155 V N 1.758 121.671 119.914 -0.002 0.000 2.295 155 V HA -0.265 3.856 4.120 0.002 0.000 0.246 155 V C 2.062 178.092 176.094 -0.106 0.000 1.049 155 V CA 1.943 64.174 62.300 -0.115 0.000 1.024 155 V CB -0.505 31.145 31.823 -0.289 0.000 0.648 155 V HN 0.252 nan 8.190 nan 0.000 0.447 156 E N 0.365 120.522 120.200 -0.073 0.000 2.077 156 E HA -0.185 4.166 4.350 0.002 0.000 0.193 156 E C 2.324 178.916 176.600 -0.013 0.000 0.989 156 E CA 1.297 57.668 56.400 -0.049 0.000 0.800 156 E CB -0.332 29.343 29.700 -0.042 0.000 0.746 156 E HN 0.608 nan 8.360 nan 0.000 0.452 157 A N 1.388 124.210 122.820 0.003 0.000 1.898 157 A HA -0.231 4.090 4.320 0.002 0.000 0.216 157 A C 2.044 179.652 177.584 0.040 0.000 1.181 157 A CA 1.502 53.551 52.037 0.020 0.000 0.620 157 A CB -0.350 18.665 19.000 0.025 0.000 0.819 157 A HN 0.206 nan 8.150 nan 0.000 0.442 158 E N -0.389 119.848 120.200 0.061 0.000 2.072 158 E HA -0.093 4.258 4.350 0.002 0.000 0.190 158 E C 1.865 178.522 176.600 0.095 0.000 0.982 158 E CA 1.156 57.617 56.400 0.101 0.000 0.803 158 E CB -0.031 29.770 29.700 0.168 0.000 0.755 158 E HN 0.327 nan 8.360 nan 0.000 0.453 159 V N 1.069 121.025 119.914 0.071 0.000 2.358 159 V HA -0.225 3.896 4.120 0.002 0.000 0.246 159 V C 2.376 178.495 176.094 0.042 0.000 1.047 159 V CA 1.690 64.028 62.300 0.063 0.000 1.035 159 V CB -0.622 31.215 31.823 0.024 0.000 0.658 159 V HN 0.391 nan 8.190 nan 0.000 0.452 160 A N -0.402 122.434 122.820 0.027 0.000 1.972 160 A HA -0.182 4.139 4.320 0.002 0.000 0.219 160 A C 2.441 180.041 177.584 0.028 0.000 1.169 160 A CA 2.350 54.400 52.037 0.021 0.000 0.635 160 A CB -0.432 18.576 19.000 0.013 0.000 0.810 160 A HN 0.537 nan 8.150 nan 0.000 0.446 161 S N -1.159 114.563 115.700 0.037 0.000 2.412 161 S HA -0.049 4.422 4.470 0.002 0.000 0.223 161 S C 2.031 176.658 174.600 0.044 0.000 1.048 161 S CA 1.457 59.681 58.200 0.039 0.000 0.954 161 S CB -0.236 62.990 63.200 0.042 0.000 0.840 161 S HN 0.854 nan 8.310 nan 0.000 0.503 162 T N -1.631 112.958 114.554 0.058 0.000 3.040 162 T HA 0.412 4.763 4.350 0.002 0.000 0.250 162 T C 1.459 176.189 174.700 0.051 0.000 1.058 162 T CA 0.845 62.981 62.100 0.061 0.000 0.988 162 T CB 0.244 69.165 68.868 0.088 0.000 0.993 162 T HN 0.553 nan 8.240 nan 0.000 0.519 163 G N 0.284 109.114 108.800 0.049 0.000 2.155 163 G HA2 -0.207 3.754 3.960 0.002 0.000 0.257 163 G HA3 -0.207 3.754 3.960 0.002 0.000 0.257 163 G C 0.183 175.112 174.900 0.048 0.000 0.983 163 G CA 0.659 45.784 45.100 0.041 0.000 0.676 163 G HN 1.054 nan 8.290 nan 0.000 0.528 164 T N -1.694 112.901 114.554 0.069 0.000 2.711 164 T HA 0.687 5.038 4.350 0.002 0.000 0.302 164 T C -1.155 173.632 174.700 0.145 0.000 1.373 164 T CA 0.409 62.547 62.100 0.064 0.000 1.000 164 T CB 1.461 70.291 68.868 -0.064 0.000 1.483 164 T HN 1.603 nan 8.240 nan 0.000 0.499 165 Y N -0.688 119.509 120.300 -0.172 0.000 2.840 165 Y HA 0.809 5.360 4.550 0.002 0.000 0.324 165 Y C -1.357 174.308 175.900 -0.393 0.000 1.378 165 Y CA -1.135 56.891 58.100 -0.124 0.000 1.077 165 Y CB 0.880 39.340 38.460 -0.001 0.000 1.361 165 Y HN 0.731 nan 8.280 nan 0.000 0.459 166 H N 0.841 119.880 119.070 -0.052 0.000 2.895 166 H HA 0.577 5.134 4.556 0.002 0.000 0.373 166 H C -1.196 174.138 175.328 0.010 0.000 1.174 166 H CA -0.803 55.171 56.048 -0.124 0.000 1.144 166 H CB 2.645 32.403 29.762 -0.007 0.000 1.793 166 H HN 0.615 nan 8.280 nan 0.000 0.551 167 L N 1.887 123.166 121.223 0.094 0.000 2.399 167 L HA 0.394 4.735 4.340 0.002 0.000 0.265 167 L C 0.616 177.558 176.870 0.119 0.000 1.089 167 L CA -0.968 53.961 54.840 0.148 0.000 0.802 167 L CB 0.601 42.726 42.059 0.109 0.000 1.180 167 L HN 0.302 nan 8.230 nan 0.000 0.454 168 R N 0.736 121.283 120.500 0.079 0.000 2.532 168 R HA 0.127 4.468 4.340 0.002 0.000 0.272 168 R C 0.746 177.039 176.300 -0.012 0.000 1.032 168 R CA -0.480 55.637 56.100 0.028 0.000 1.089 168 R CB 0.652 30.951 30.300 -0.001 0.000 1.098 168 R HN 0.629 nan 8.270 nan 0.000 0.526 169 E N 0.818 121.010 120.200 -0.013 0.000 2.118 169 E HA -0.206 4.145 4.350 0.002 0.000 0.195 169 E C 1.348 177.929 176.600 -0.032 0.000 0.992 169 E CA 1.959 58.344 56.400 -0.026 0.000 0.804 169 E CB 0.223 29.914 29.700 -0.015 0.000 0.741 169 E HN 0.657 nan 8.360 nan 0.000 0.458 170 S N 0.063 115.738 115.700 -0.041 0.000 2.383 170 S HA -0.177 4.294 4.470 0.002 0.000 0.227 170 S C 1.795 176.333 174.600 -0.104 0.000 1.026 170 S CA 1.216 59.401 58.200 -0.025 0.000 0.981 170 S CB -0.267 62.938 63.200 0.007 0.000 0.818 170 S HN 0.306 nan 8.310 nan 0.000 0.472 171 E N 0.875 120.892 120.200 -0.305 0.000 2.072 171 E HA -0.031 4.320 4.350 0.002 0.000 0.191 171 E C 2.041 178.734 176.600 0.155 0.000 0.985 171 E CA 1.101 57.313 56.400 -0.314 0.000 0.801 171 E CB -0.313 29.241 29.700 -0.244 0.000 0.750 171 E HN 0.441 nan 8.360 nan 0.000 0.452 172 L N 0.599 121.843 121.223 0.035 0.000 2.131 172 L HA -0.144 4.197 4.340 0.002 0.000 0.210 172 L C 2.097 178.948 176.870 -0.032 0.000 1.092 172 L CA 1.191 56.000 54.840 -0.051 0.000 0.759 172 L CB -0.033 41.940 42.059 -0.143 0.000 0.903 172 L HN -0.047 nan 8.230 nan 0.000 0.435 173 V N -0.783 119.147 119.914 0.027 0.000 2.379 173 V HA -0.261 3.860 4.120 0.002 0.000 0.245 173 V C 2.239 178.421 176.094 0.145 0.000 1.044 173 V CA 1.879 64.208 62.300 0.048 0.000 1.036 173 V CB -0.799 31.052 31.823 0.047 0.000 0.664 173 V HN 0.563 nan 8.190 nan 0.000 0.453 174 F N 2.162 122.190 119.950 0.129 0.000 2.186 174 F HA 0.018 4.546 4.527 0.002 0.000 0.299 174 F C 2.118 178.066 175.800 0.246 0.000 1.090 174 F CA 1.601 59.736 58.000 0.224 0.000 1.307 174 F CB -0.762 38.447 39.000 0.347 0.000 1.019 174 F HN 0.122 nan 8.300 nan 0.000 0.489 175 G N -0.233 108.653 108.800 0.143 0.000 2.408 175 G HA2 -0.148 3.813 3.960 0.002 0.000 0.217 175 G HA3 -0.148 3.813 3.960 0.002 0.000 0.217 175 G C 1.791 176.564 174.900 -0.212 0.000 1.150 175 G CA 0.678 45.755 45.100 -0.040 0.000 0.776 175 G HN 0.604 nan 8.290 nan 0.000 0.542 176 A N 0.924 123.651 122.820 -0.155 0.000 1.898 176 A HA 0.066 4.387 4.320 0.002 0.000 0.216 176 A C 2.288 179.873 177.584 0.002 0.000 1.181 176 A CA 1.806 53.759 52.037 -0.139 0.000 0.620 176 A CB -0.301 18.648 19.000 -0.084 0.000 0.819 176 A HN 0.350 nan 8.150 nan 0.000 0.442 177 K N -0.970 119.470 120.400 0.067 0.000 2.097 177 K HA -0.170 4.151 4.320 0.002 0.000 0.206 177 K C 2.277 178.959 176.600 0.138 0.000 1.049 177 K CA 1.551 57.989 56.287 0.251 0.000 0.933 177 K CB -0.091 32.592 32.500 0.305 0.000 0.717 177 K HN 0.432 nan 8.250 nan 0.000 0.442 178 Q N 0.470 120.173 119.800 -0.161 0.000 2.230 178 Q HA -0.004 4.337 4.340 0.002 0.000 0.202 178 Q C 1.757 177.615 176.000 -0.238 0.000 0.963 178 Q CA 1.288 56.892 55.803 -0.332 0.000 0.866 178 Q CB -0.018 28.389 28.738 -0.551 0.000 0.931 178 Q HN 0.329 nan 8.270 nan 0.000 0.452 179 A N -0.727 121.967 122.820 -0.210 0.000 1.898 179 A HA -0.158 4.163 4.320 0.002 0.000 0.216 179 A C 1.772 179.381 177.584 0.042 0.000 1.181 179 A CA 1.271 53.140 52.037 -0.280 0.000 0.620 179 A CB -1.077 17.442 19.000 -0.801 0.000 0.819 179 A HN 0.677 nan 8.150 nan 0.000 0.442 180 W N 1.087 122.389 121.300 0.003 0.000 2.379 180 W HA -0.117 4.543 4.660 0.001 0.000 0.307 180 W C 2.348 178.822 176.519 -0.075 0.000 1.200 180 W CA 1.506 58.883 57.345 0.053 0.000 1.297 180 W CB -0.679 28.818 29.460 0.061 0.000 1.140 180 W HN 0.367 nan 8.180 nan 0.000 0.507 181 R N 0.326 120.726 120.500 -0.167 0.000 2.105 181 R HA -0.193 4.148 4.340 0.002 0.000 0.239 181 R C 1.611 177.721 176.300 -0.316 0.000 1.135 181 R CA 1.889 57.661 56.100 -0.547 0.000 0.967 181 R CB -0.609 29.063 30.300 -1.047 0.000 0.861 181 R HN 0.095 nan 8.270 nan 0.000 0.442 182 N N 0.335 118.910 118.700 -0.209 0.000 2.467 182 N HA 0.010 4.751 4.740 0.002 0.000 0.184 182 N C -0.344 175.105 175.510 -0.101 0.000 1.106 182 N CA 0.653 53.607 53.050 -0.160 0.000 0.892 182 N CB 0.384 38.782 38.487 -0.149 0.000 0.969 182 N HN 0.179 nan 8.380 nan 0.000 0.454 183 A N 2.138 124.949 122.820 -0.015 0.000 2.489 183 A HA 0.222 4.543 4.320 0.002 0.000 0.289 183 A C -1.228 176.338 177.584 -0.030 0.000 1.216 183 A CA -0.943 51.096 52.037 0.003 0.000 0.883 183 A CB 0.271 19.329 19.000 0.098 0.000 1.110 183 A HN 0.009 nan 8.150 nan 0.000 0.523 184 P HA -0.147 nan 4.420 nan 0.000 0.218 184 P C 1.063 178.325 177.300 -0.064 0.000 1.148 184 P CA 1.210 64.259 63.100 -0.085 0.000 0.822 184 P CB 0.138 31.755 31.700 -0.139 0.000 0.784 185 R N -2.076 118.345 120.500 -0.133 0.000 2.320 185 R HA 0.145 4.486 4.340 0.002 0.000 0.211 185 R C 0.162 176.482 176.300 0.032 0.000 0.931 185 R CA -0.132 55.907 56.100 -0.102 0.000 1.071 185 R CB -0.546 29.462 30.300 -0.486 0.000 1.025 185 R HN 0.187 nan 8.270 nan 0.000 0.495 186 C N 0.506 119.816 119.300 0.016 0.000 2.255 186 C HA 0.234 4.695 4.460 0.002 0.000 0.326 186 C C 1.818 176.783 174.990 -0.041 0.000 1.258 186 C CA -0.685 58.370 59.018 0.061 0.000 1.676 186 C CB 0.649 28.503 27.740 0.190 0.000 2.314 186 C HN 0.292 nan 8.230 nan 0.000 0.509 187 V N 5.938 125.775 119.914 -0.129 0.000 3.406 187 V HA 0.201 4.322 4.120 0.002 0.000 0.263 187 V C 1.807 177.921 176.094 0.033 0.000 1.172 187 V CA 2.133 64.239 62.300 -0.323 0.000 1.140 187 V CB -0.065 31.580 31.823 -0.297 0.000 0.784 187 V HN 1.066 nan 8.190 nan 0.000 0.467 188 G N -0.667 108.190 108.800 0.096 0.000 3.233 188 G HA2 0.012 3.973 3.960 0.002 0.000 0.227 188 G HA3 0.012 3.973 3.960 0.002 0.000 0.227 188 G C 1.274 176.208 174.900 0.058 0.000 1.175 188 G CA -0.302 44.870 45.100 0.119 0.000 0.781 188 G HN 0.435 nan 8.290 nan 0.000 0.542 189 R N -0.233 120.232 120.500 -0.057 0.000 2.355 189 R HA 0.056 4.397 4.340 0.002 0.000 0.219 189 R C 1.947 177.781 176.300 -0.778 0.000 1.107 189 R CA 0.289 56.060 56.100 -0.549 0.000 1.021 189 R CB -0.187 29.835 30.300 -0.464 0.000 0.852 189 R HN 0.446 nan 8.270 nan 0.000 0.475 190 I N 0.728 121.028 120.570 -0.451 0.000 2.614 190 I HA -0.216 3.955 4.170 0.002 0.000 0.258 190 I C 1.348 177.353 176.117 -0.187 0.000 1.189 190 I CA 1.143 62.302 61.300 -0.234 0.000 1.462 190 I CB 0.175 38.176 38.000 0.001 0.000 1.092 190 I HN 0.175 nan 8.210 nan 0.000 0.442 191 Q N 0.603 120.252 119.800 -0.252 0.000 2.365 191 Q HA -0.100 4.241 4.340 0.002 0.000 0.203 191 Q C 1.573 177.237 176.000 -0.560 0.000 0.929 191 Q CA 0.257 55.933 55.803 -0.211 0.000 0.948 191 Q CB -0.170 28.606 28.738 0.063 0.000 1.043 191 Q HN 0.766 nan 8.270 nan 0.000 0.505 192 W N 0.023 120.666 121.300 -1.094 0.000 2.313 192 W HA -0.156 4.505 4.660 0.002 0.000 0.293 192 W C 1.133 177.424 176.519 -0.380 0.000 1.216 192 W CA 1.273 57.886 57.345 -1.220 0.000 1.223 192 W CB -1.210 27.673 29.460 -0.962 0.000 1.138 192 W HN 0.088 nan 8.180 nan 0.000 0.535 193 G N 1.076 109.338 108.800 -0.896 0.000 2.650 193 G HA2 -0.162 3.799 3.960 0.002 0.000 0.214 193 G HA3 -0.162 3.799 3.960 0.002 0.000 0.214 193 G C 0.858 175.608 174.900 -0.249 0.000 1.136 193 G CA -0.061 44.587 45.100 -0.753 0.000 0.789 193 G HN 0.236 nan 8.290 nan 0.000 0.536 194 K N 0.309 120.648 120.400 -0.101 0.000 2.291 194 K HA 0.500 4.821 4.320 0.002 0.000 0.242 194 K C -1.551 175.177 176.600 0.213 0.000 1.098 194 K CA -0.565 55.756 56.287 0.057 0.000 1.036 194 K CB 0.154 32.704 32.500 0.083 0.000 1.655 194 K HN 0.087 nan 8.250 nan 0.000 0.432 195 L N 2.975 124.295 121.223 0.161 0.000 2.476 195 L HA 0.291 4.632 4.340 0.002 0.000 0.269 195 L C -1.300 175.569 176.870 -0.003 0.000 0.965 195 L CA -0.448 54.483 54.840 0.152 0.000 0.845 195 L CB 1.937 44.155 42.059 0.265 0.000 1.259 195 L HN 0.385 nan 8.230 nan 0.000 0.403 196 Q N 3.502 123.245 119.800 -0.095 0.000 2.323 196 Q HA 0.464 4.805 4.340 0.002 0.000 0.257 196 Q C -1.492 174.185 176.000 -0.538 0.000 1.022 196 Q CA -0.102 55.479 55.803 -0.371 0.000 0.919 196 Q CB 0.997 29.408 28.738 -0.546 0.000 1.220 196 Q HN 0.512 nan 8.270 nan 0.000 0.427 197 V N 6.393 126.047 119.914 -0.434 0.000 2.334 197 V HA 0.319 4.440 4.120 0.002 0.000 0.267 197 V C -0.528 175.341 176.094 -0.375 0.000 1.040 197 V CA -0.547 61.556 62.300 -0.330 0.000 0.866 197 V CB -0.241 31.484 31.823 -0.162 0.000 1.019 197 V HN 0.616 nan 8.190 nan 0.000 0.468 198 F N 2.709 122.574 119.950 -0.143 0.000 2.421 198 F HA 0.328 4.856 4.527 0.002 0.000 0.358 198 F C 0.689 176.373 175.800 -0.193 0.000 1.115 198 F CA -0.893 57.017 58.000 -0.149 0.000 1.160 198 F CB 0.653 39.580 39.000 -0.122 0.000 1.123 198 F HN 0.418 nan 8.300 nan 0.000 0.508 199 D N 3.157 123.574 120.400 0.029 0.000 2.365 199 D HA 0.385 5.026 4.640 0.002 0.000 0.237 199 D C 0.162 176.362 176.300 -0.166 0.000 1.190 199 D CA 0.076 54.020 54.000 -0.092 0.000 0.867 199 D CB 1.134 41.904 40.800 -0.050 0.000 1.050 199 D HN 0.617 nan 8.370 nan 0.000 0.491 200 A N 4.503 127.049 122.820 -0.458 0.000 2.594 200 A HA 0.147 4.468 4.320 0.002 0.000 0.287 200 A C 1.573 178.850 177.584 -0.511 0.000 1.227 200 A CA -0.363 51.137 52.037 -0.894 0.000 0.952 200 A CB 0.074 17.985 19.000 -1.816 0.000 1.161 200 A HN 0.544 nan 8.150 nan 0.000 0.524 201 R N 1.195 121.543 120.500 -0.252 0.000 2.328 201 R HA -0.055 4.286 4.340 0.002 0.000 0.207 201 R C -0.147 176.104 176.300 -0.081 0.000 1.056 201 R CA 1.167 57.194 56.100 -0.122 0.000 1.016 201 R CB -0.017 30.273 30.300 -0.017 0.000 0.872 201 R HN 0.654 nan 8.270 nan 0.000 0.471 202 D N -0.155 120.214 120.400 -0.053 0.000 3.163 202 D HA 0.029 4.670 4.640 0.002 0.000 0.284 202 D C -0.726 175.631 176.300 0.094 0.000 1.368 202 D CA -0.302 53.717 54.000 0.031 0.000 0.895 202 D CB -0.015 40.825 40.800 0.066 0.000 1.061 202 D HN -0.026 nan 8.370 nan 0.000 0.496 203 C N 1.240 120.557 119.300 0.027 0.000 2.379 203 C HA 0.552 5.013 4.460 0.002 0.000 0.323 203 C C 1.197 176.273 174.990 0.142 0.000 1.262 203 C CA -0.218 58.872 59.018 0.121 0.000 1.581 203 C CB 0.974 28.757 27.740 0.071 0.000 2.221 203 C HN 0.492 nan 8.230 nan 0.000 0.497 204 S N 2.375 118.222 115.700 0.244 0.000 2.666 204 S HA 0.342 4.813 4.470 0.002 0.000 0.239 204 S C 0.041 174.820 174.600 0.298 0.000 1.031 204 S CA 0.237 58.621 58.200 0.308 0.000 1.015 204 S CB -0.206 63.110 63.200 0.194 0.000 0.981 204 S HN 1.313 nan 8.310 nan 0.000 0.547 205 S N -0.474 115.400 115.700 0.291 0.000 2.596 205 S HA 0.816 5.287 4.470 0.002 0.000 0.270 205 S C 0.823 175.538 174.600 0.192 0.000 1.155 205 S CA -0.344 57.979 58.200 0.205 0.000 0.827 205 S CB 0.992 64.280 63.200 0.147 0.000 1.130 205 S HN 0.464 nan 8.310 nan 0.000 0.467 206 A N 0.860 123.765 122.820 0.141 0.000 1.933 206 A HA -0.081 4.240 4.320 0.002 0.000 0.218 206 A C 2.090 179.655 177.584 -0.032 0.000 1.175 206 A CA 1.615 53.715 52.037 0.105 0.000 0.628 206 A CB -0.967 18.166 19.000 0.222 0.000 0.814 206 A HN 0.753 nan 8.150 nan 0.000 0.444 207 Q N -0.066 119.783 119.800 0.081 0.000 2.124 207 Q HA -0.181 4.160 4.340 0.002 0.000 0.202 207 Q C 1.867 177.866 176.000 -0.001 0.000 0.977 207 Q CA 1.864 57.667 55.803 0.001 0.000 0.850 207 Q CB -0.275 28.561 28.738 0.164 0.000 0.901 207 Q HN 0.812 nan 8.270 nan 0.000 0.429 208 E N -0.578 119.674 120.200 0.087 0.000 2.106 208 E HA -0.116 4.235 4.350 0.002 0.000 0.192 208 E C 2.129 178.890 176.600 0.269 0.000 0.984 208 E CA 0.760 57.256 56.400 0.160 0.000 0.806 208 E CB -0.063 29.782 29.700 0.241 0.000 0.750 208 E HN 0.365 nan 8.360 nan 0.000 0.458 209 M N 0.025 119.730 119.600 0.175 0.000 2.108 209 M HA -0.184 4.297 4.480 0.002 0.000 0.261 209 M C 2.198 178.580 176.300 0.137 0.000 1.066 209 M CA 1.298 56.665 55.300 0.112 0.000 1.107 209 M CB -0.321 32.099 32.600 -0.298 0.000 1.356 209 M HN 0.111 nan 8.290 nan 0.000 0.406 210 F N 1.255 121.038 119.950 -0.278 0.000 2.102 210 F HA -0.198 4.330 4.527 0.002 0.000 0.298 210 F C 2.342 178.054 175.800 -0.147 0.000 1.105 210 F CA 1.893 59.674 58.000 -0.366 0.000 1.239 210 F CB -0.895 37.588 39.000 -0.863 0.000 0.991 210 F HN 0.053 nan 8.300 nan 0.000 0.474 211 T N -0.478 113.927 114.554 -0.248 0.000 2.684 211 T HA -0.245 4.106 4.350 0.002 0.000 0.267 211 T C 1.766 176.313 174.700 -0.254 0.000 1.036 211 T CA 1.920 63.822 62.100 -0.331 0.000 1.148 211 T CB -0.771 67.954 68.868 -0.238 0.000 0.863 211 T HN 0.290 nan 8.240 nan 0.000 0.436 212 Y N 0.946 121.183 120.300 -0.104 0.000 2.181 212 Y HA -0.004 4.547 4.550 0.002 0.000 0.288 212 Y C 2.253 178.101 175.900 -0.086 0.000 1.146 212 Y CA 0.638 58.688 58.100 -0.084 0.000 1.164 212 Y CB -0.468 38.030 38.460 0.064 0.000 0.982 212 Y HN 0.190 nan 8.280 nan 0.000 0.515 213 I N -1.659 119.003 120.570 0.153 0.000 2.226 213 I HA -0.356 3.815 4.170 0.002 0.000 0.245 213 I C 2.204 178.287 176.117 -0.057 0.000 1.100 213 I CA 0.987 62.328 61.300 0.069 0.000 1.374 213 I CB -0.461 37.591 38.000 0.087 0.000 1.057 213 I HN 0.286 nan 8.210 nan 0.000 0.413 214 C N 0.809 119.963 119.300 -0.244 0.000 2.435 214 C HA -0.101 4.360 4.460 0.002 0.000 0.279 214 C C 2.556 177.449 174.990 -0.161 0.000 1.321 214 C CA 0.689 59.545 59.018 -0.270 0.000 1.752 214 C CB -1.371 26.075 27.740 -0.489 0.000 1.959 214 C HN 0.551 nan 8.230 nan 0.000 0.500 215 N N -0.029 118.559 118.700 -0.187 0.000 2.216 215 N HA -0.116 4.625 4.740 0.002 0.000 0.183 215 N C 1.446 176.843 175.510 -0.188 0.000 1.017 215 N CA 1.244 54.162 53.050 -0.220 0.000 0.861 215 N CB -0.708 37.566 38.487 -0.354 0.000 0.986 215 N HN 0.737 nan 8.380 nan 0.000 0.428 216 H N 0.991 119.915 119.070 -0.244 0.000 2.321 216 H HA 0.084 4.641 4.556 0.002 0.000 0.300 216 H C 2.142 177.524 175.328 0.091 0.000 1.087 216 H CA 1.495 57.502 56.048 -0.068 0.000 1.319 216 H CB -0.024 29.750 29.762 0.021 0.000 1.379 216 H HN 0.057 nan 8.280 nan 0.000 0.501 217 I N 1.180 121.903 120.570 0.255 0.000 2.179 217 I HA -0.278 3.893 4.170 0.002 0.000 0.242 217 I C 2.639 178.822 176.117 0.111 0.000 1.088 217 I CA 1.543 62.951 61.300 0.180 0.000 1.357 217 I CB -0.397 37.646 38.000 0.071 0.000 1.051 217 I HN 0.371 nan 8.210 nan 0.000 0.409 218 K N 1.172 121.608 120.400 0.061 0.000 2.148 218 K HA -0.256 4.065 4.320 0.002 0.000 0.204 218 K C 2.181 178.824 176.600 0.072 0.000 1.050 218 K CA 1.673 57.984 56.287 0.041 0.000 0.942 218 K CB -0.718 31.785 32.500 0.004 0.000 0.724 218 K HN 0.375 nan 8.250 nan 0.000 0.446 219 Y N 1.370 121.675 120.300 0.008 0.000 2.184 219 Y HA -0.000 4.551 4.550 0.002 0.000 0.290 219 Y C 2.406 178.348 175.900 0.069 0.000 1.129 219 Y CA 1.946 60.080 58.100 0.057 0.000 1.144 219 Y CB -0.480 38.069 38.460 0.147 0.000 0.995 219 Y HN 0.143 nan 8.280 nan 0.000 0.513 220 A N -0.419 122.446 122.820 0.075 0.000 1.902 220 A HA -0.158 4.163 4.320 0.002 0.000 0.217 220 A C 2.183 179.765 177.584 -0.004 0.000 1.181 220 A CA 2.290 54.339 52.037 0.020 0.000 0.623 220 A CB -1.343 17.747 19.000 0.151 0.000 0.818 220 A HN 0.530 nan 8.150 nan 0.000 0.443 221 T N -0.474 114.099 114.554 0.030 0.000 2.643 221 T HA -0.132 4.219 4.350 0.002 0.000 0.264 221 T C 1.019 175.705 174.700 -0.025 0.000 1.045 221 T CA 1.152 63.271 62.100 0.032 0.000 1.155 221 T CB -0.521 68.373 68.868 0.043 0.000 0.863 221 T HN 0.741 nan 8.240 nan 0.000 0.420 222 N N 0.693 119.355 118.700 -0.064 0.000 2.725 222 N HA -0.268 4.473 4.740 0.002 0.000 0.251 222 N C -0.444 175.033 175.510 -0.056 0.000 1.031 222 N CA 0.243 53.238 53.050 -0.091 0.000 0.720 222 N CB -0.536 37.853 38.487 -0.163 0.000 0.930 222 N HN 0.427 nan 8.380 nan 0.000 0.543 223 R N -2.352 118.127 120.500 -0.035 0.000 3.946 223 R HA -0.265 4.075 4.340 0.002 0.000 0.329 223 R C 1.223 177.501 176.300 -0.036 0.000 1.209 223 R CA 1.286 57.367 56.100 -0.031 0.000 0.909 223 R CB -2.034 28.246 30.300 -0.033 0.000 1.355 223 R HN 0.844 nan 8.270 nan 0.000 0.539 224 G N -0.226 108.556 108.800 -0.030 0.000 2.316 224 G HA2 -0.301 3.660 3.960 0.002 0.000 0.203 224 G HA3 -0.301 3.660 3.960 0.002 0.000 0.203 224 G C -0.088 174.791 174.900 -0.035 0.000 0.999 224 G CA 0.017 45.100 45.100 -0.030 0.000 0.649 224 G HN 0.423 nan 8.290 nan 0.000 0.489 225 N N 1.378 120.045 118.700 -0.055 0.000 3.188 225 N HA 0.417 5.158 4.740 0.002 0.000 0.279 225 N C 0.157 175.622 175.510 -0.076 0.000 1.213 225 N CA -0.635 52.366 53.050 -0.083 0.000 1.138 225 N CB -0.099 38.336 38.487 -0.087 0.000 1.417 225 N HN 0.141 nan 8.380 nan 0.000 0.526 226 L N 2.307 123.511 121.223 -0.031 0.000 2.559 226 L HA 0.008 4.349 4.340 0.002 0.000 0.282 226 L C 0.633 177.574 176.870 0.119 0.000 1.232 226 L CA 1.147 56.029 54.840 0.070 0.000 0.885 226 L CB 0.152 42.342 42.059 0.218 0.000 1.131 226 L HN 0.372 nan 8.230 nan 0.000 0.498 227 R N 1.487 122.059 120.500 0.119 0.000 2.575 227 R HA 0.422 4.763 4.340 0.002 0.000 0.293 227 R C -0.632 175.792 176.300 0.206 0.000 0.983 227 R CA -0.688 55.506 56.100 0.157 0.000 0.887 227 R CB 1.730 31.966 30.300 -0.105 0.000 1.184 227 R HN 0.567 nan 8.270 nan 0.000 0.445 228 S N 1.545 117.396 115.700 0.252 0.000 2.549 228 S HA 0.422 4.893 4.470 0.002 0.000 0.286 228 S C -0.223 174.423 174.600 0.076 0.000 1.314 228 S CA -0.093 58.157 58.200 0.083 0.000 1.062 228 S CB 1.073 64.272 63.200 -0.001 0.000 0.865 228 S HN 0.690 nan 8.310 nan 0.000 0.498 229 A N 2.819 125.649 122.820 0.018 0.000 2.602 229 A HA 0.857 5.178 4.320 0.002 0.000 0.290 229 A C -1.292 176.358 177.584 0.109 0.000 1.114 229 A CA -0.675 51.334 52.037 -0.046 0.000 0.683 229 A CB 1.241 20.162 19.000 -0.132 0.000 1.281 229 A HN 0.785 nan 8.150 nan 0.000 0.416 230 I N 0.210 120.849 120.570 0.115 0.000 2.692 230 I HA 0.576 4.747 4.170 0.002 0.000 0.293 230 I C -1.316 174.968 176.117 0.278 0.000 1.200 230 I CA -0.109 61.375 61.300 0.306 0.000 1.036 230 I CB 2.408 40.513 38.000 0.176 0.000 1.258 230 I HN 0.614 nan 8.210 nan 0.000 0.421 231 T N 6.280 121.012 114.554 0.298 0.000 2.786 231 T HA 0.428 4.779 4.350 0.002 0.000 0.283 231 T C -0.688 173.860 174.700 -0.253 0.000 0.992 231 T CA -0.351 61.774 62.100 0.042 0.000 0.954 231 T CB 1.545 70.403 68.868 -0.016 0.000 0.934 231 T HN 0.254 nan 8.240 nan 0.000 0.440 232 V N 5.279 124.974 119.914 -0.364 0.000 2.333 232 V HA 0.432 4.553 4.120 0.002 0.000 0.274 232 V C -0.286 175.521 176.094 -0.479 0.000 1.028 232 V CA -0.729 61.353 62.300 -0.362 0.000 0.851 232 V CB -0.311 31.266 31.823 -0.410 0.000 1.000 232 V HN 0.714 nan 8.190 nan 0.000 0.456 233 F N 5.351 125.231 119.950 -0.118 0.000 2.362 233 F HA 0.462 4.990 4.527 0.002 0.000 0.311 233 F C -1.759 173.964 175.800 -0.127 0.000 1.161 233 F CA -2.400 55.461 58.000 -0.232 0.000 1.085 233 F CB 0.138 38.995 39.000 -0.238 0.000 1.311 233 F HN 0.291 nan 8.300 nan 0.000 0.524 234 P HA -0.024 nan 4.420 nan 0.000 0.262 234 P C -0.884 176.456 177.300 0.068 0.000 1.182 234 P CA -0.031 63.007 63.100 -0.104 0.000 0.761 234 P CB 0.185 31.639 31.700 -0.411 0.000 0.795 235 Q N 4.025 123.813 119.800 -0.020 0.000 2.700 235 Q HA 0.086 4.427 4.340 0.002 0.000 0.232 235 Q C -0.282 175.631 176.000 -0.145 0.000 1.110 235 Q CA -0.094 55.465 55.803 -0.407 0.000 1.026 235 Q CB 0.475 28.695 28.738 -0.863 0.000 1.311 235 Q HN 0.367 nan 8.270 nan 0.000 0.583 236 R N -0.114 120.266 120.500 -0.201 0.000 2.441 236 R HA 0.546 4.887 4.340 0.002 0.000 0.284 236 R C -0.776 175.471 176.300 -0.087 0.000 1.070 236 R CA -0.118 55.939 56.100 -0.073 0.000 1.047 236 R CB 1.164 31.420 30.300 -0.074 0.000 1.016 236 R HN 0.698 nan 8.270 nan 0.000 0.477 237 A N 3.739 126.547 122.820 -0.021 0.000 2.350 237 A HA 0.440 4.761 4.320 0.002 0.000 0.324 237 A C -1.684 175.893 177.584 -0.012 0.000 1.118 237 A CA -1.631 50.395 52.037 -0.018 0.000 0.783 237 A CB 1.161 20.177 19.000 0.026 0.000 1.236 237 A HN 0.540 nan 8.150 nan 0.000 0.457 238 P HA -0.124 nan 4.420 nan 0.000 0.218 238 P C 1.159 178.459 177.300 0.000 0.000 1.148 238 P CA 1.858 64.952 63.100 -0.010 0.000 0.822 238 P CB 0.103 31.799 31.700 -0.008 0.000 0.784 239 G N -0.204 108.601 108.800 0.008 0.000 3.262 239 G HA2 0.168 4.129 3.960 0.002 0.000 0.228 239 G HA3 0.168 4.129 3.960 0.002 0.000 0.228 239 G C 0.528 175.434 174.900 0.010 0.000 1.197 239 G CA -0.228 44.879 45.100 0.012 0.000 0.819 239 G HN 0.448 nan 8.290 nan 0.000 0.531 240 R N -2.793 117.711 120.500 0.007 0.000 2.752 240 R HA 0.582 4.923 4.340 0.002 0.000 0.277 240 R C 0.178 176.474 176.300 -0.007 0.000 1.024 240 R CA -0.482 55.618 56.100 -0.000 0.000 0.866 240 R CB -0.070 30.231 30.300 0.001 0.000 1.278 240 R HN 0.036 nan 8.270 nan 0.000 0.473 241 G N -0.092 108.694 108.800 -0.022 0.000 2.651 241 G HA2 0.318 4.279 3.960 0.002 0.000 0.260 241 G HA3 0.318 4.279 3.960 0.002 0.000 0.260 241 G C -0.937 173.943 174.900 -0.033 0.000 1.216 241 G CA -0.426 44.660 45.100 -0.024 0.000 0.913 241 G HN 0.554 nan 8.290 nan 0.000 0.535 242 D N -0.904 119.491 120.400 -0.008 0.000 2.277 242 D HA 0.352 4.993 4.640 0.002 0.000 0.250 242 D C -0.531 175.771 176.300 0.004 0.000 1.032 242 D CA -0.078 53.945 54.000 0.039 0.000 0.947 242 D CB 1.307 42.150 40.800 0.072 0.000 1.159 242 D HN 0.096 nan 8.370 nan 0.000 0.460 243 F N 1.370 121.348 119.950 0.048 0.000 2.420 243 F HA 0.301 4.829 4.527 0.002 0.000 0.352 243 F C 1.013 176.838 175.800 0.042 0.000 1.108 243 F CA 0.031 58.045 58.000 0.023 0.000 1.162 243 F CB 0.633 39.640 39.000 0.012 0.000 1.118 243 F HN -0.192 nan 8.300 nan 0.000 0.510 244 R N 3.975 124.593 120.500 0.197 0.000 2.740 244 R HA 0.560 4.901 4.340 0.002 0.000 0.273 244 R C -1.296 175.142 176.300 0.230 0.000 0.998 244 R CA -0.921 55.311 56.100 0.220 0.000 0.900 244 R CB 2.300 32.769 30.300 0.281 0.000 1.223 244 R HN 0.604 nan 8.270 nan 0.000 0.466 245 I N 1.469 122.172 120.570 0.222 0.000 2.355 245 I HA 0.184 4.355 4.170 0.002 0.000 0.288 245 I C 0.425 176.755 176.117 0.354 0.000 0.999 245 I CA -0.504 60.919 61.300 0.206 0.000 1.163 245 I CB 1.396 39.454 38.000 0.097 0.000 1.316 245 I HN 0.514 nan 8.210 nan 0.000 0.454 246 W N 3.397 124.737 121.300 0.065 0.000 2.402 246 W HA -0.082 4.579 4.660 0.002 0.000 0.286 246 W C 0.932 177.541 176.519 0.151 0.000 1.221 246 W CA 0.140 57.587 57.345 0.171 0.000 1.257 246 W CB -0.824 28.673 29.460 0.060 0.000 1.120 246 W HN 0.414 nan 8.180 nan 0.000 0.551 247 N N 0.013 118.856 118.700 0.238 0.000 2.479 247 N HA 0.022 4.763 4.740 0.002 0.000 0.257 247 N C 1.268 176.835 175.510 0.095 0.000 1.232 247 N CA 0.820 53.936 53.050 0.109 0.000 0.920 247 N CB 0.731 39.224 38.487 0.010 0.000 1.105 247 N HN -0.103 nan 8.380 nan 0.000 0.444 248 S N 0.530 116.279 115.700 0.081 0.000 2.461 248 S HA -0.012 4.459 4.470 0.002 0.000 0.228 248 S C 0.314 174.911 174.600 -0.004 0.000 1.005 248 S CA 0.582 58.822 58.200 0.066 0.000 0.942 248 S CB 0.056 63.318 63.200 0.103 0.000 0.776 248 S HN 0.649 nan 8.310 nan 0.000 0.514 249 Q N -0.721 119.059 119.800 -0.034 0.000 2.416 249 Q HA 0.485 4.826 4.340 0.002 0.000 0.281 249 Q C 0.091 176.005 176.000 -0.144 0.000 1.067 249 Q CA -0.541 55.203 55.803 -0.098 0.000 0.809 249 Q CB 1.961 30.671 28.738 -0.047 0.000 1.418 249 Q HN 0.109 nan 8.270 nan 0.000 0.411 250 L N 0.203 121.318 121.223 -0.180 0.000 2.131 250 L HA -0.004 4.337 4.340 0.002 0.000 0.210 250 L C 0.404 177.123 176.870 -0.251 0.000 1.092 250 L CA 0.874 55.610 54.840 -0.173 0.000 0.759 250 L CB 0.056 42.020 42.059 -0.158 0.000 0.903 250 L HN 0.266 nan 8.230 nan 0.000 0.435 251 V N 0.765 120.427 119.914 -0.420 0.000 2.409 251 V HA 0.493 4.614 4.120 0.002 0.000 0.291 251 V C -0.228 175.336 176.094 -0.884 0.000 1.020 251 V CA -0.706 61.154 62.300 -0.732 0.000 0.848 251 V CB 1.660 32.821 31.823 -1.103 0.000 0.990 251 V HN 0.159 nan 8.190 nan 0.000 0.430 252 R N 2.756 122.881 120.500 -0.625 0.000 2.707 252 R HA 0.532 4.873 4.340 0.002 0.000 0.272 252 R C -1.872 174.227 176.300 -0.335 0.000 1.011 252 R CA -0.795 55.070 56.100 -0.391 0.000 0.893 252 R CB 2.498 32.700 30.300 -0.164 0.000 1.233 252 R HN 0.574 nan 8.270 nan 0.000 0.464 253 Y N 0.174 120.471 120.300 -0.005 0.000 2.361 253 Y HA 0.484 5.035 4.550 0.002 0.000 0.332 253 Y C 0.846 176.716 175.900 -0.051 0.000 1.101 253 Y CA -0.781 57.330 58.100 0.017 0.000 1.137 253 Y CB 1.421 39.961 38.460 0.134 0.000 1.207 253 Y HN 0.704 nan 8.280 nan 0.000 0.463 254 A N 1.500 124.361 122.820 0.067 0.000 2.483 254 A HA 0.527 4.848 4.320 0.002 0.000 0.238 254 A C 0.611 177.940 177.584 -0.425 0.000 1.070 254 A CA 0.345 52.247 52.037 -0.224 0.000 0.770 254 A CB -0.289 18.533 19.000 -0.297 0.000 1.008 254 A HN 0.971 nan 8.150 nan 0.000 0.497 255 G N 1.128 109.653 108.800 -0.457 0.000 2.990 255 G HA2 0.527 4.488 3.960 0.002 0.000 0.300 255 G HA3 0.527 4.488 3.960 0.002 0.000 0.300 255 G C -1.064 173.666 174.900 -0.284 0.000 1.498 255 G CA -0.274 44.621 45.100 -0.342 0.000 1.074 255 G HN 0.506 nan 8.290 nan 0.000 0.542 256 Y N 1.722 122.038 120.300 0.027 0.000 2.350 256 Y HA 0.385 4.936 4.550 0.002 0.000 0.340 256 Y C 1.160 177.062 175.900 0.003 0.000 1.006 256 Y CA -1.124 56.990 58.100 0.024 0.000 1.166 256 Y CB 0.939 39.409 38.460 0.016 0.000 1.168 256 Y HN 0.245 nan 8.280 nan 0.000 0.502 257 R N 3.899 124.488 120.500 0.148 0.000 2.343 257 R HA 0.075 4.416 4.340 0.002 0.000 0.326 257 R C -0.545 175.799 176.300 0.074 0.000 1.055 257 R CA -0.026 56.123 56.100 0.082 0.000 0.961 257 R CB 0.186 30.523 30.300 0.061 0.000 0.978 257 R HN 0.748 nan 8.270 nan 0.000 0.443 258 Q N 2.829 122.663 119.800 0.055 0.000 2.303 258 Q HA 0.025 4.366 4.340 0.002 0.000 0.257 258 Q C 1.074 177.086 176.000 0.020 0.000 0.941 258 Q CA -0.351 55.473 55.803 0.035 0.000 0.931 258 Q CB 1.764 30.520 28.738 0.031 0.000 1.215 258 Q HN 0.549 nan 8.270 nan 0.000 0.437 259 Q N 2.119 121.926 119.800 0.012 0.000 2.377 259 Q HA -0.366 3.975 4.340 0.002 0.000 0.225 259 Q C 0.250 176.254 176.000 0.008 0.000 1.097 259 Q CA 2.462 58.269 55.803 0.006 0.000 0.985 259 Q CB -1.031 27.706 28.738 -0.001 0.000 1.071 259 Q HN 0.799 nan 8.270 nan 0.000 0.505 260 D N 0.477 120.882 120.400 0.007 0.000 2.841 260 D HA 0.148 4.789 4.640 0.002 0.000 0.244 260 D C 1.059 177.365 176.300 0.010 0.000 1.228 260 D CA 0.580 54.584 54.000 0.007 0.000 0.872 260 D CB -0.189 40.614 40.800 0.005 0.000 1.082 260 D HN 0.723 nan 8.370 nan 0.000 0.457 261 G N 0.262 109.070 108.800 0.013 0.000 2.205 261 G HA2 -0.370 3.591 3.960 0.002 0.000 0.269 261 G HA3 -0.370 3.591 3.960 0.002 0.000 0.269 261 G C 0.517 175.426 174.900 0.015 0.000 0.977 261 G CA 0.755 45.864 45.100 0.015 0.000 0.652 261 G HN 0.650 nan 8.290 nan 0.000 0.539 262 S N -1.400 114.308 115.700 0.014 0.000 2.617 262 S HA 0.595 5.066 4.470 0.002 0.000 0.259 262 S C 0.176 174.785 174.600 0.014 0.000 1.301 262 S CA 0.357 58.564 58.200 0.012 0.000 0.984 262 S CB 1.249 64.456 63.200 0.011 0.000 0.954 262 S HN 0.984 nan 8.310 nan 0.000 0.572 263 V N 2.829 122.744 119.914 0.001 0.000 2.612 263 V HA 0.437 4.558 4.120 0.002 0.000 0.301 263 V C -0.508 175.569 176.094 -0.029 0.000 1.059 263 V CA -0.862 61.433 62.300 -0.008 0.000 0.886 263 V CB 1.698 33.500 31.823 -0.036 0.000 1.007 263 V HN 0.881 nan 8.190 nan 0.000 0.426 264 R N 3.652 124.164 120.500 0.021 0.000 2.221 264 R HA 0.749 5.090 4.340 0.002 0.000 0.327 264 R C 0.574 176.835 176.300 -0.065 0.000 1.033 264 R CA 1.212 57.332 56.100 0.033 0.000 0.887 264 R CB 0.707 31.115 30.300 0.180 0.000 1.057 264 R HN 1.385 nan 8.270 nan 0.000 0.455 265 G N 3.065 111.751 108.800 -0.190 0.000 2.475 265 G HA2 -0.238 3.723 3.960 0.002 0.000 0.223 265 G HA3 -0.238 3.723 3.960 0.002 0.000 0.223 265 G C -1.315 173.196 174.900 -0.649 0.000 1.201 265 G CA -0.050 44.852 45.100 -0.329 0.000 0.962 265 G HN 0.688 nan 8.290 nan 0.000 0.586 266 D N 1.696 121.837 120.400 -0.431 0.000 2.380 266 D HA 0.569 5.210 4.640 0.002 0.000 0.230 266 D C -1.020 175.165 176.300 -0.191 0.000 1.154 266 D CA -2.012 51.764 54.000 -0.374 0.000 0.859 266 D CB 1.407 42.279 40.800 0.121 0.000 1.045 266 D HN -0.010 nan 8.370 nan 0.000 0.495 267 P HA -0.092 nan 4.420 nan 0.000 0.221 267 P C 0.794 178.092 177.300 -0.003 0.000 1.145 267 P CA 0.896 63.949 63.100 -0.079 0.000 0.795 267 P CB 0.320 31.983 31.700 -0.062 0.000 0.775 268 A N -0.644 122.189 122.820 0.022 0.000 2.066 268 A HA -0.086 4.235 4.320 0.002 0.000 0.218 268 A C 1.622 179.250 177.584 0.073 0.000 1.157 268 A CA 1.219 53.303 52.037 0.078 0.000 0.670 268 A CB -0.763 18.304 19.000 0.112 0.000 0.804 268 A HN 0.134 nan 8.150 nan 0.000 0.453 269 N N -0.195 118.530 118.700 0.042 0.000 2.279 269 N HA 0.147 4.887 4.740 0.002 0.000 0.226 269 N C 1.070 176.569 175.510 -0.018 0.000 1.126 269 N CA 0.118 53.180 53.050 0.019 0.000 0.846 269 N CB 0.676 39.172 38.487 0.015 0.000 1.050 269 N HN 0.195 nan 8.380 nan 0.000 0.502 270 V N 0.931 120.840 119.914 -0.009 0.000 2.261 270 V HA -0.227 3.894 4.120 0.002 0.000 0.246 270 V C 2.438 178.535 176.094 0.004 0.000 1.047 270 V CA 1.773 64.067 62.300 -0.009 0.000 1.015 270 V CB -0.238 31.591 31.823 0.010 0.000 0.642 270 V HN 0.390 nan 8.190 nan 0.000 0.446 271 E N -0.341 119.869 120.200 0.016 0.000 2.051 271 E HA -0.268 4.083 4.350 0.002 0.000 0.192 271 E C 2.150 178.698 176.600 -0.087 0.000 0.991 271 E CA 1.775 58.173 56.400 -0.004 0.000 0.799 271 E CB -0.178 29.557 29.700 0.058 0.000 0.748 271 E HN 0.471 nan 8.360 nan 0.000 0.449 272 I N 0.890 121.408 120.570 -0.086 0.000 2.394 272 I HA -0.200 3.971 4.170 0.002 0.000 0.251 272 I C 2.030 178.090 176.117 -0.096 0.000 1.136 272 I CA 1.471 62.686 61.300 -0.141 0.000 1.425 272 I CB -0.337 37.614 38.000 -0.083 0.000 1.079 272 I HN 0.100 nan 8.210 nan 0.000 0.425 273 T N 0.193 114.720 114.554 -0.045 0.000 2.777 273 T HA -0.158 4.193 4.350 0.002 0.000 0.266 273 T C 1.730 176.504 174.700 0.124 0.000 1.040 273 T CA 1.677 63.796 62.100 0.032 0.000 1.141 273 T CB -0.244 68.637 68.868 0.021 0.000 0.868 273 T HN 0.464 nan 8.240 nan 0.000 0.444 274 E N 0.821 121.063 120.200 0.070 0.000 2.077 274 E HA -0.033 4.318 4.350 0.002 0.000 0.193 274 E C 2.214 178.855 176.600 0.067 0.000 0.989 274 E CA 0.786 57.234 56.400 0.080 0.000 0.800 274 E CB -0.300 29.426 29.700 0.043 0.000 0.746 274 E HN 0.391 nan 8.360 nan 0.000 0.452 275 L N 0.430 121.654 121.223 0.001 0.000 2.083 275 L HA -0.228 4.113 4.340 0.002 0.000 0.209 275 L C 2.555 179.495 176.870 0.116 0.000 1.083 275 L CA 0.782 55.644 54.840 0.036 0.000 0.752 275 L CB -0.362 41.629 42.059 -0.115 0.000 0.899 275 L HN 0.323 nan 8.230 nan 0.000 0.433 276 C N -0.209 119.117 119.300 0.044 0.000 2.425 276 C HA -0.141 4.320 4.460 0.002 0.000 0.277 276 C C 2.688 177.826 174.990 0.246 0.000 1.280 276 C CA 0.465 59.514 59.018 0.053 0.000 1.744 276 C CB -0.655 27.019 27.740 -0.110 0.000 1.989 276 C HN 0.435 nan 8.230 nan 0.000 0.491 277 I N 0.400 121.146 120.570 0.293 0.000 2.353 277 I HA -0.212 3.959 4.170 0.002 0.000 0.248 277 I C 2.782 178.966 176.117 0.111 0.000 1.119 277 I CA 1.300 62.744 61.300 0.240 0.000 1.417 277 I CB -0.653 37.464 38.000 0.194 0.000 1.078 277 I HN 0.462 nan 8.210 nan 0.000 0.421 278 Q N 0.645 120.497 119.800 0.087 0.000 2.226 278 Q HA -0.225 4.116 4.340 0.002 0.000 0.204 278 Q C 1.074 176.986 176.000 -0.147 0.000 0.975 278 Q CA 1.562 57.352 55.803 -0.022 0.000 0.866 278 Q CB 0.030 28.761 28.738 -0.011 0.000 0.915 278 Q HN 0.576 nan 8.270 nan 0.000 0.440 279 H N -1.536 117.511 119.070 -0.039 0.000 2.537 279 H HA 0.278 4.835 4.556 0.002 0.000 0.295 279 H C 0.526 175.818 175.328 -0.061 0.000 1.054 279 H CA 0.646 56.642 56.048 -0.087 0.000 1.156 279 H CB 0.742 30.399 29.762 -0.174 0.000 1.468 279 H HN 0.473 nan 8.280 nan 0.000 0.551 280 G N -0.282 108.545 108.800 0.045 0.000 2.141 280 G HA2 -0.262 3.699 3.960 0.002 0.000 0.231 280 G HA3 -0.262 3.699 3.960 0.002 0.000 0.231 280 G C -0.102 174.864 174.900 0.110 0.000 0.984 280 G CA -0.088 45.034 45.100 0.037 0.000 0.660 280 G HN 0.399 nan 8.290 nan 0.000 0.525 281 W N 2.031 123.305 121.300 -0.044 0.000 2.272 281 W HA 0.653 5.314 4.660 0.001 0.000 0.318 281 W C 0.257 176.765 176.519 -0.019 0.000 1.255 281 W CA 0.005 57.329 57.345 -0.036 0.000 1.200 281 W CB 0.939 30.386 29.460 -0.022 0.000 1.170 281 W HN 0.054 nan 8.180 nan 0.000 0.549 282 T N 9.353 123.573 114.554 -0.556 0.000 2.794 282 T HA 0.205 4.556 4.350 0.002 0.000 0.304 282 T C -2.121 171.797 174.700 -1.304 0.000 0.973 282 T CA -0.896 60.821 62.100 -0.638 0.000 0.972 282 T CB 0.345 69.011 68.868 -0.337 0.000 0.952 282 T HN 0.225 nan 8.240 nan 0.000 0.509 283 P HA 0.369 nan 4.420 nan 0.000 0.276 283 P C 0.330 177.211 177.300 -0.697 0.000 1.244 283 P CA -0.274 62.026 63.100 -1.332 0.000 0.801 283 P CB 1.221 32.508 31.700 -0.688 0.000 1.006 284 G N 1.052 109.585 108.800 -0.445 0.000 2.849 284 G HA2 0.333 4.294 3.960 0.002 0.000 0.174 284 G HA3 0.333 4.294 3.960 0.002 0.000 0.174 284 G C 0.189 174.805 174.900 -0.475 0.000 1.370 284 G CA -0.463 44.484 45.100 -0.254 0.000 1.040 284 G HN 0.714 nan 8.290 nan 0.000 0.582 285 N N -0.753 117.809 118.700 -0.230 0.000 2.330 285 N HA 0.170 4.911 4.740 0.002 0.000 0.249 285 N C 0.250 175.790 175.510 0.050 0.000 1.413 285 N CA 0.175 53.069 53.050 -0.260 0.000 0.817 285 N CB 0.169 38.495 38.487 -0.268 0.000 1.362 285 N HN 0.699 nan 8.380 nan 0.000 0.499 286 G N 0.460 109.369 108.800 0.183 0.000 2.531 286 G HA2 0.395 4.356 3.960 0.002 0.000 0.313 286 G HA3 0.395 4.356 3.960 0.002 0.000 0.313 286 G C 0.524 175.511 174.900 0.145 0.000 1.238 286 G CA -0.639 44.552 45.100 0.152 0.000 0.994 286 G HN 0.146 nan 8.290 nan 0.000 0.493 287 R N -1.228 119.263 120.500 -0.014 0.000 2.210 287 R HA 0.118 4.459 4.340 0.002 0.000 0.203 287 R C -0.038 175.898 176.300 -0.607 0.000 1.010 287 R CA 0.662 56.584 56.100 -0.296 0.000 1.008 287 R CB 0.123 30.132 30.300 -0.485 0.000 0.923 287 R HN 0.387 nan 8.270 nan 0.000 0.469 288 F N 0.994 120.900 119.950 -0.074 0.000 2.627 288 F HA 0.259 4.787 4.527 0.002 0.000 0.329 288 F C -0.687 175.086 175.800 -0.045 0.000 1.378 288 F CA -1.120 56.607 58.000 -0.455 0.000 1.134 288 F CB 0.555 39.141 39.000 -0.689 0.000 1.229 288 F HN -0.296 nan 8.300 nan 0.000 0.537 289 D N 1.497 122.062 120.400 0.275 0.000 2.347 289 D HA 0.197 4.838 4.640 0.002 0.000 0.235 289 D C 0.135 176.678 176.300 0.405 0.000 1.149 289 D CA 0.048 54.270 54.000 0.370 0.000 0.850 289 D CB 1.950 43.018 40.800 0.445 0.000 1.061 289 D HN -0.059 nan 8.370 nan 0.000 0.487 290 V N 3.861 123.987 119.914 0.354 0.000 2.540 290 V HA -0.031 4.090 4.120 0.002 0.000 0.297 290 V C 1.050 177.149 176.094 0.009 0.000 1.024 290 V CA -0.099 62.293 62.300 0.153 0.000 1.105 290 V CB 0.119 31.988 31.823 0.077 0.000 0.938 290 V HN 0.352 nan 8.190 nan 0.000 0.482 291 L N 8.165 129.291 121.223 -0.161 0.000 2.453 291 L HA 0.378 4.719 4.340 0.002 0.000 0.261 291 L C -1.667 174.942 176.870 -0.435 0.000 1.179 291 L CA -1.396 53.184 54.840 -0.433 0.000 0.813 291 L CB 0.996 42.823 42.059 -0.387 0.000 1.110 291 L HN 0.491 nan 8.230 nan 0.000 0.466 292 P HA 0.265 nan 4.420 nan 0.000 0.278 292 P C -1.177 175.930 177.300 -0.321 0.000 1.258 292 P CA -0.558 62.270 63.100 -0.454 0.000 0.811 292 P CB 1.133 32.447 31.700 -0.643 0.000 1.063 293 L N 1.092 122.205 121.223 -0.184 0.000 2.312 293 L HA 0.380 4.721 4.340 0.002 0.000 0.281 293 L C 0.469 177.278 176.870 -0.101 0.000 1.070 293 L CA -0.709 54.074 54.840 -0.096 0.000 0.805 293 L CB 0.600 42.669 42.059 0.017 0.000 1.174 293 L HN 0.198 nan 8.230 nan 0.000 0.434 294 L N 5.315 126.466 121.223 -0.121 0.000 2.297 294 L HA 0.429 4.770 4.340 0.002 0.000 0.277 294 L C -0.616 176.147 176.870 -0.178 0.000 1.040 294 L CA -0.226 54.459 54.840 -0.258 0.000 0.867 294 L CB 0.703 42.515 42.059 -0.412 0.000 1.244 294 L HN 0.448 nan 8.230 nan 0.000 0.433 295 L N 3.541 124.734 121.223 -0.049 0.000 2.289 295 L HA 0.461 4.802 4.340 0.002 0.000 0.285 295 L C -0.081 176.747 176.870 -0.071 0.000 1.049 295 L CA -0.244 54.595 54.840 -0.001 0.000 0.804 295 L CB 1.606 43.700 42.059 0.059 0.000 1.195 295 L HN 0.560 nan 8.230 nan 0.000 0.428 296 Q N 2.621 122.391 119.800 -0.050 0.000 2.325 296 Q HA 0.657 4.998 4.340 0.002 0.000 0.270 296 Q C -1.046 174.908 176.000 -0.076 0.000 1.020 296 Q CA -0.604 55.161 55.803 -0.063 0.000 0.785 296 Q CB 2.180 30.941 28.738 0.039 0.000 1.259 296 Q HN 0.786 nan 8.270 nan 0.000 0.452 297 A N 4.914 127.644 122.820 -0.150 0.000 2.286 297 A HA 0.640 4.961 4.320 0.002 0.000 0.286 297 A C -2.417 174.919 177.584 -0.413 0.000 1.097 297 A CA -1.635 50.170 52.037 -0.387 0.000 0.821 297 A CB 0.133 19.009 19.000 -0.206 0.000 1.076 297 A HN 0.624 nan 8.150 nan 0.000 0.490 298 P HA 0.009 nan 4.420 nan 0.000 0.260 298 P C -0.594 176.605 177.300 -0.169 0.000 1.172 298 P CA 0.851 63.734 63.100 -0.361 0.000 0.760 298 P CB 0.106 31.584 31.700 -0.370 0.000 0.773 299 D N -0.088 120.261 120.400 -0.086 0.000 2.955 299 D HA -0.189 4.452 4.640 0.002 0.000 0.226 299 D C 0.017 176.302 176.300 -0.026 0.000 1.178 299 D CA 1.291 55.271 54.000 -0.033 0.000 0.808 299 D CB -0.497 40.287 40.800 -0.028 0.000 1.099 299 D HN 0.473 nan 8.370 nan 0.000 0.421 300 E N -0.564 119.611 120.200 -0.041 0.000 2.277 300 E HA 0.662 5.013 4.350 0.002 0.000 0.266 300 E C 0.037 176.622 176.600 -0.026 0.000 0.901 300 E CA -0.750 55.629 56.400 -0.035 0.000 0.782 300 E CB 1.753 31.419 29.700 -0.057 0.000 1.228 300 E HN 0.138 nan 8.360 nan 0.000 0.424 301 A N 3.153 125.957 122.820 -0.027 0.000 2.445 301 A HA 0.362 4.683 4.320 0.002 0.000 0.242 301 A C -1.988 175.489 177.584 -0.178 0.000 1.075 301 A CA -0.921 51.089 52.037 -0.045 0.000 0.777 301 A CB -0.472 18.530 19.000 0.003 0.000 1.013 301 A HN 0.290 nan 8.150 nan 0.000 0.493 302 P HA 0.162 nan 4.420 nan 0.000 0.269 302 P C -0.605 176.421 177.300 -0.456 0.000 1.209 302 P CA 0.185 62.908 63.100 -0.630 0.000 0.776 302 P CB 0.686 31.524 31.700 -1.437 0.000 0.876 303 E N 0.679 120.662 120.200 -0.362 0.000 2.207 303 E HA 0.436 4.787 4.350 0.002 0.000 0.270 303 E C -0.726 175.478 176.600 -0.660 0.000 0.927 303 E CA -1.093 55.040 56.400 -0.446 0.000 0.799 303 E CB 1.611 31.069 29.700 -0.404 0.000 1.172 303 E HN 0.290 nan 8.360 nan 0.000 0.404 304 L N 2.714 123.489 121.223 -0.748 0.000 2.312 304 L HA 0.432 4.773 4.340 0.002 0.000 0.281 304 L C -1.529 174.720 176.870 -1.034 0.000 1.070 304 L CA 0.094 54.541 54.840 -0.655 0.000 0.805 304 L CB 0.251 42.096 42.059 -0.357 0.000 1.174 304 L HN 0.407 nan 8.230 nan 0.000 0.434 305 F N 4.096 123.798 119.950 -0.414 0.000 2.617 305 F HA 0.392 4.920 4.527 0.002 0.000 0.325 305 F C -0.406 175.091 175.800 -0.505 0.000 1.179 305 F CA -0.847 56.754 58.000 -0.664 0.000 0.965 305 F CB 1.634 39.859 39.000 -1.292 0.000 1.232 305 F HN -0.010 nan 8.300 nan 0.000 0.461 306 V N 4.913 124.725 119.914 -0.170 0.000 2.432 306 V HA 0.226 4.347 4.120 0.002 0.000 0.271 306 V C 0.334 176.499 176.094 0.118 0.000 1.046 306 V CA -0.584 61.698 62.300 -0.030 0.000 0.945 306 V CB 1.083 32.935 31.823 0.048 0.000 0.992 306 V HN 0.552 nan 8.190 nan 0.000 0.471 307 L N 7.753 129.061 121.223 0.142 0.000 2.455 307 L HA 0.244 4.584 4.340 0.002 0.000 0.272 307 L C -2.035 174.931 176.870 0.160 0.000 1.174 307 L CA -1.414 53.562 54.840 0.226 0.000 0.869 307 L CB 0.508 42.643 42.059 0.128 0.000 1.130 307 L HN 0.443 nan 8.230 nan 0.000 0.474 308 P HA 0.070 nan 4.420 nan 0.000 0.266 308 P C -2.002 175.342 177.300 0.075 0.000 1.215 308 P CA -0.924 62.240 63.100 0.107 0.000 0.763 308 P CB 0.417 32.166 31.700 0.080 0.000 0.806 309 P HA -0.239 nan 4.420 nan 0.000 0.218 309 P C 1.273 178.601 177.300 0.047 0.000 1.146 309 P CA 1.322 64.460 63.100 0.064 0.000 0.820 309 P CB -0.108 31.633 31.700 0.068 0.000 0.778 310 E N -0.343 119.880 120.200 0.039 0.000 2.358 310 E HA -0.082 4.269 4.350 0.002 0.000 0.195 310 E C 1.750 178.362 176.600 0.020 0.000 1.010 310 E CA 0.801 57.217 56.400 0.026 0.000 0.856 310 E CB -0.971 28.741 29.700 0.020 0.000 0.795 310 E HN 0.312 nan 8.360 nan 0.000 0.504 311 L N 0.993 122.229 121.223 0.022 0.000 2.270 311 L HA 0.069 4.410 4.340 0.002 0.000 0.210 311 L C 0.806 177.688 176.870 0.021 0.000 1.104 311 L CA 0.194 55.043 54.840 0.015 0.000 0.804 311 L CB 0.397 42.459 42.059 0.005 0.000 0.937 311 L HN -0.091 nan 8.230 nan 0.000 0.450 312 V N 2.214 122.143 119.914 0.025 0.000 2.299 312 V HA 0.107 4.228 4.120 0.002 0.000 0.255 312 V C 0.100 176.220 176.094 0.043 0.000 1.100 312 V CA -0.483 61.832 62.300 0.025 0.000 0.938 312 V CB 0.828 32.658 31.823 0.012 0.000 1.139 312 V HN 0.053 nan 8.190 nan 0.000 0.490 313 L N 5.353 126.605 121.223 0.048 0.000 2.410 313 L HA 0.390 4.731 4.340 0.002 0.000 0.273 313 L C 0.214 177.119 176.870 0.059 0.000 1.144 313 L CA 0.776 55.638 54.840 0.036 0.000 0.863 313 L CB 0.344 42.417 42.059 0.024 0.000 1.140 313 L HN 0.636 nan 8.230 nan 0.000 0.463 314 E N 3.214 123.428 120.200 0.024 0.000 2.288 314 E HA 0.555 4.906 4.350 0.002 0.000 0.268 314 E C -1.460 175.090 176.600 -0.083 0.000 0.885 314 E CA -0.953 55.465 56.400 0.030 0.000 0.767 314 E CB 2.431 32.179 29.700 0.081 0.000 1.220 314 E HN 0.354 nan 8.360 nan 0.000 0.427 315 V N 3.480 123.310 119.914 -0.140 0.000 2.357 315 V HA 0.332 4.453 4.120 0.002 0.000 0.284 315 V C -2.232 173.804 176.094 -0.097 0.000 1.018 315 V CA -1.885 60.270 62.300 -0.242 0.000 0.841 315 V CB 1.205 32.625 31.823 -0.672 0.000 0.991 315 V HN 0.549 nan 8.190 nan 0.000 0.437 316 P HA 0.280 nan 4.420 nan 0.000 0.281 316 P C -0.736 176.569 177.300 0.008 0.000 1.252 316 P CA -0.189 62.883 63.100 -0.046 0.000 0.778 316 P CB 1.104 32.783 31.700 -0.035 0.000 0.895 317 L N 3.976 125.236 121.223 0.061 0.000 2.281 317 L HA 0.349 4.690 4.340 0.002 0.000 0.285 317 L C 1.194 178.202 176.870 0.230 0.000 1.074 317 L CA -0.046 54.885 54.840 0.151 0.000 0.817 317 L CB 0.203 42.408 42.059 0.242 0.000 1.168 317 L HN 0.500 nan 8.230 nan 0.000 0.434 318 E N 2.198 122.477 120.200 0.131 0.000 2.416 318 E HA 0.426 4.777 4.350 0.002 0.000 0.273 318 E C -1.283 175.279 176.600 -0.063 0.000 0.935 318 E CA -0.961 55.521 56.400 0.137 0.000 0.784 318 E CB 2.285 32.062 29.700 0.127 0.000 1.301 318 E HN 0.471 nan 8.360 nan 0.000 0.454 319 H N 1.210 120.111 119.070 -0.282 0.000 2.472 319 H HA 0.222 4.779 4.556 0.002 0.000 0.338 319 H C -1.719 173.329 175.328 -0.467 0.000 1.133 319 H CA -2.293 53.463 56.048 -0.486 0.000 1.216 319 H CB 2.062 31.459 29.762 -0.607 0.000 1.497 319 H HN 0.436 nan 8.280 nan 0.000 0.500 320 P HA -0.108 nan 4.420 nan 0.000 0.220 320 P C 0.936 178.007 177.300 -0.381 0.000 1.148 320 P CA 1.507 64.036 63.100 -0.952 0.000 0.803 320 P CB 0.437 31.530 31.700 -1.011 0.000 0.782 321 T N -4.648 109.824 114.554 -0.136 0.000 2.966 321 T HA 0.217 4.568 4.350 0.002 0.000 0.254 321 T C 0.763 175.460 174.700 -0.004 0.000 0.961 321 T CA -0.197 61.899 62.100 -0.007 0.000 0.915 321 T CB -0.502 68.380 68.868 0.022 0.000 1.186 321 T HN -0.065 nan 8.240 nan 0.000 0.505 322 L N 3.521 124.733 121.223 -0.018 0.000 2.288 322 L HA 0.418 4.759 4.340 0.002 0.000 0.283 322 L C 1.516 178.070 176.870 -0.526 0.000 1.072 322 L CA -0.688 53.852 54.840 -0.499 0.000 0.862 322 L CB 1.050 42.439 42.059 -1.116 0.000 1.245 322 L HN 0.270 nan 8.230 nan 0.000 0.432 323 E N 3.169 123.204 120.200 -0.275 0.000 2.160 323 E HA -0.251 4.100 4.350 0.002 0.000 0.195 323 E C 1.685 178.253 176.600 -0.052 0.000 0.991 323 E CA 1.499 57.837 56.400 -0.104 0.000 0.810 323 E CB -0.251 29.456 29.700 0.012 0.000 0.742 323 E HN 0.744 nan 8.360 nan 0.000 0.466 324 W N -0.332 121.024 121.300 0.094 0.000 2.699 324 W HA 0.078 4.739 4.660 0.002 0.000 0.249 324 W C 1.187 177.758 176.519 0.086 0.000 1.280 324 W CA -0.090 57.296 57.345 0.068 0.000 1.345 324 W CB -0.871 28.605 29.460 0.028 0.000 1.128 324 W HN -0.024 nan 8.180 nan 0.000 0.642 325 F N 3.006 122.719 119.950 -0.394 0.000 2.095 325 F HA -0.114 4.414 4.527 0.001 0.000 0.298 325 F C 2.723 178.538 175.800 0.026 0.000 1.104 325 F CA 2.890 60.759 58.000 -0.218 0.000 1.232 325 F CB -0.752 37.988 39.000 -0.433 0.000 0.987 325 F HN -0.080 nan 8.300 nan 0.000 0.475 326 A N 0.169 123.146 122.820 0.261 0.000 1.940 326 A HA -0.129 4.192 4.320 0.002 0.000 0.219 326 A C 2.339 180.002 177.584 0.132 0.000 1.176 326 A CA 1.707 53.864 52.037 0.200 0.000 0.631 326 A CB -1.550 17.531 19.000 0.135 0.000 0.814 326 A HN 0.461 nan 8.150 nan 0.000 0.446 327 A N -0.439 122.461 122.820 0.133 0.000 2.125 327 A HA 0.015 4.336 4.320 0.002 0.000 0.219 327 A C 1.949 179.585 177.584 0.087 0.000 1.156 327 A CA 1.238 53.343 52.037 0.113 0.000 0.671 327 A CB -0.594 18.490 19.000 0.141 0.000 0.794 327 A HN 0.510 nan 8.150 nan 0.000 0.459 328 L N -1.301 119.956 121.223 0.057 0.000 2.362 328 L HA 0.005 4.346 4.340 0.002 0.000 0.219 328 L C 1.897 178.804 176.870 0.061 0.000 1.134 328 L CA 0.670 55.516 54.840 0.011 0.000 0.807 328 L CB -0.513 41.453 42.059 -0.154 0.000 0.927 328 L HN 0.586 nan 8.230 nan 0.000 0.447 329 G N -0.051 108.792 108.800 0.072 0.000 2.153 329 G HA2 -0.265 3.696 3.960 0.002 0.000 0.252 329 G HA3 -0.265 3.696 3.960 0.002 0.000 0.252 329 G C 0.047 174.981 174.900 0.057 0.000 0.994 329 G CA -0.189 44.963 45.100 0.087 0.000 0.698 329 G HN 0.098 nan 8.290 nan 0.000 0.521 330 L N 0.402 121.639 121.223 0.024 0.000 2.452 330 L HA 0.764 5.105 4.340 0.002 0.000 0.267 330 L C 1.081 177.764 176.870 -0.311 0.000 1.188 330 L CA 0.133 54.909 54.840 -0.107 0.000 0.821 330 L CB 0.735 42.840 42.059 0.077 0.000 1.102 330 L HN 0.697 nan 8.230 nan 0.000 0.470 331 R N 1.459 121.558 120.500 -0.667 0.000 2.728 331 R HA 0.472 4.813 4.340 0.002 0.000 0.274 331 R C -2.049 174.135 176.300 -0.193 0.000 1.032 331 R CA -0.954 54.907 56.100 -0.399 0.000 0.866 331 R CB 1.211 31.232 30.300 -0.466 0.000 1.263 331 R HN 0.600 nan 8.270 nan 0.000 0.475 332 W N 2.021 123.271 121.300 -0.082 0.000 3.213 332 W HA 0.345 5.006 4.660 0.002 0.000 0.318 332 W C -1.173 175.472 176.519 0.210 0.000 1.248 332 W CA -0.992 56.429 57.345 0.128 0.000 1.187 332 W CB 1.820 31.274 29.460 -0.010 0.000 1.403 332 W HN 0.698 nan 8.180 nan 0.000 0.556 333 Y N 1.307 121.578 120.300 -0.048 0.000 2.379 333 Y HA 0.502 5.053 4.550 0.002 0.000 0.337 333 Y C 0.837 177.000 175.900 0.438 0.000 1.238 333 Y CA 0.328 58.471 58.100 0.072 0.000 1.405 333 Y CB 0.165 38.525 38.460 -0.167 0.000 1.310 333 Y HN 0.348 nan 8.280 nan 0.000 0.569 334 A N 2.257 125.363 122.820 0.475 0.000 1.930 334 A HA 0.048 4.369 4.320 0.002 0.000 0.215 334 A C 0.606 178.521 177.584 0.553 0.000 1.176 334 A CA 0.379 52.725 52.037 0.515 0.000 0.632 334 A CB -0.336 18.795 19.000 0.218 0.000 0.819 334 A HN 0.675 nan 8.150 nan 0.000 0.445 335 L N 2.127 123.626 121.223 0.460 0.000 2.255 335 L HA 0.389 4.730 4.340 0.002 0.000 0.289 335 L C -2.510 174.497 176.870 0.227 0.000 1.046 335 L CA -2.163 52.846 54.840 0.283 0.000 0.816 335 L CB 1.369 43.531 42.059 0.171 0.000 1.197 335 L HN 0.011 nan 8.230 nan 0.000 0.427 336 P HA 0.354 nan 4.420 nan 0.000 0.291 336 P C -1.501 175.707 177.300 -0.152 0.000 1.378 336 P CA -0.373 62.578 63.100 -0.249 0.000 0.853 336 P CB 1.358 32.502 31.700 -0.926 0.000 1.002 337 A N 4.442 127.185 122.820 -0.129 0.000 2.410 337 A HA 0.416 4.737 4.320 0.002 0.000 0.289 337 A C -0.319 177.051 177.584 -0.356 0.000 1.200 337 A CA -0.656 51.236 52.037 -0.242 0.000 0.751 337 A CB 0.956 19.848 19.000 -0.180 0.000 1.161 337 A HN 0.288 nan 8.150 nan 0.000 0.459 338 V N 2.899 122.436 119.914 -0.628 0.000 2.521 338 V HA 0.264 4.385 4.120 0.002 0.000 0.286 338 V C 1.186 176.874 176.094 -0.677 0.000 1.034 338 V CA 1.179 63.089 62.300 -0.651 0.000 1.045 338 V CB 1.211 32.522 31.823 -0.853 0.000 0.974 338 V HN 1.105 nan 8.190 nan 0.000 0.480 339 S N 1.772 117.288 115.700 -0.307 0.000 2.780 339 S HA 0.070 4.541 4.470 0.002 0.000 0.248 339 S C 0.729 175.319 174.600 -0.017 0.000 1.036 339 S CA 0.026 58.130 58.200 -0.160 0.000 1.061 339 S CB -0.414 62.727 63.200 -0.098 0.000 1.037 339 S HN 0.920 nan 8.310 nan 0.000 0.584 340 N N 0.415 119.115 118.700 0.001 0.000 2.187 340 N HA 0.301 5.042 4.740 0.002 0.000 0.212 340 N C 0.036 175.619 175.510 0.122 0.000 1.152 340 N CA -0.498 52.598 53.050 0.076 0.000 0.872 340 N CB 0.153 38.691 38.487 0.085 0.000 1.025 340 N HN 0.270 nan 8.380 nan 0.000 0.514 341 M N 1.438 121.128 119.600 0.151 0.000 2.409 341 M HA 0.328 4.809 4.480 0.002 0.000 0.329 341 M C -0.651 175.812 176.300 0.272 0.000 1.180 341 M CA -0.882 54.552 55.300 0.222 0.000 1.053 341 M CB 2.615 35.372 32.600 0.261 0.000 1.586 341 M HN 0.112 nan 8.290 nan 0.000 0.461 342 L N 3.260 124.616 121.223 0.222 0.000 2.292 342 L HA 0.498 4.839 4.340 0.002 0.000 0.284 342 L C -1.239 175.744 176.870 0.188 0.000 1.065 342 L CA -0.857 54.099 54.840 0.193 0.000 0.806 342 L CB 0.955 43.079 42.059 0.107 0.000 1.175 342 L HN 0.610 nan 8.230 nan 0.000 0.431 343 L N 5.417 126.742 121.223 0.171 0.000 2.265 343 L HA 0.454 4.795 4.340 0.002 0.000 0.289 343 L C -0.512 176.366 176.870 0.014 0.000 1.033 343 L CA 0.231 55.031 54.840 -0.066 0.000 0.814 343 L CB 1.120 43.104 42.059 -0.125 0.000 1.203 343 L HN 0.645 nan 8.230 nan 0.000 0.423 344 E N 6.456 126.583 120.200 -0.121 0.000 2.151 344 E HA 0.416 4.767 4.350 0.002 0.000 0.275 344 E C -1.569 174.941 176.600 -0.150 0.000 0.936 344 E CA -0.465 55.890 56.400 -0.075 0.000 0.777 344 E CB 1.197 30.849 29.700 -0.081 0.000 1.108 344 E HN 0.754 nan 8.360 nan 0.000 0.401 345 I N 2.653 123.147 120.570 -0.126 0.000 2.500 345 I HA 0.259 4.430 4.170 0.002 0.000 0.286 345 I C 0.693 176.590 176.117 -0.367 0.000 1.063 345 I CA -0.668 60.416 61.300 -0.360 0.000 1.062 345 I CB 1.987 39.712 38.000 -0.459 0.000 1.223 345 I HN 0.792 nan 8.210 nan 0.000 0.435 346 G N 4.218 112.827 108.800 -0.318 0.000 2.356 346 G HA2 -0.100 3.861 3.960 0.002 0.000 0.296 346 G HA3 -0.100 3.861 3.960 0.002 0.000 0.296 346 G C 1.030 176.008 174.900 0.130 0.000 1.022 346 G CA 0.784 45.895 45.100 0.019 0.000 0.961 346 G HN 1.564 nan 8.290 nan 0.000 0.510 347 G N -1.955 106.866 108.800 0.035 0.000 2.253 347 G HA2 -0.250 3.711 3.960 0.002 0.000 0.251 347 G HA3 -0.250 3.711 3.960 0.002 0.000 0.251 347 G C 0.510 175.375 174.900 -0.058 0.000 0.998 347 G CA 0.487 45.608 45.100 0.035 0.000 0.621 347 G HN 1.315 nan 8.290 nan 0.000 0.524 348 L N 1.083 122.220 121.223 -0.143 0.000 2.326 348 L HA 0.545 4.886 4.340 0.002 0.000 0.278 348 L C 0.202 176.866 176.870 -0.344 0.000 1.092 348 L CA -0.414 54.221 54.840 -0.341 0.000 0.810 348 L CB 1.148 42.916 42.059 -0.485 0.000 1.153 348 L HN 0.212 nan 8.230 nan 0.000 0.439 349 E N 3.282 123.211 120.200 -0.452 0.000 2.145 349 E HA 0.380 4.731 4.350 0.002 0.000 0.270 349 E C -1.460 174.857 176.600 -0.471 0.000 0.906 349 E CA -0.427 55.791 56.400 -0.303 0.000 0.761 349 E CB 1.617 31.220 29.700 -0.161 0.000 1.116 349 E HN 0.273 nan 8.360 nan 0.000 0.408 350 F N 1.880 121.804 119.950 -0.043 0.000 2.311 350 F HA 0.102 4.630 4.527 0.002 0.000 0.371 350 F C 1.498 177.339 175.800 0.068 0.000 1.083 350 F CA -0.608 57.395 58.000 0.006 0.000 1.113 350 F CB 1.230 40.218 39.000 -0.021 0.000 1.349 350 F HN 0.438 nan 8.300 nan 0.000 0.470 351 S N 1.449 117.258 115.700 0.182 0.000 2.507 351 S HA 0.206 4.677 4.470 0.002 0.000 0.235 351 S C 0.741 175.476 174.600 0.225 0.000 0.988 351 S CA 0.399 58.704 58.200 0.175 0.000 0.944 351 S CB -0.051 63.227 63.200 0.129 0.000 0.762 351 S HN 0.535 nan 8.310 nan 0.000 0.526 352 A N 0.300 123.298 122.820 0.297 0.000 2.569 352 A HA 0.811 5.132 4.320 0.002 0.000 0.282 352 A C -0.227 177.623 177.584 0.443 0.000 1.165 352 A CA -0.138 52.097 52.037 0.331 0.000 0.747 352 A CB 0.871 20.027 19.000 0.261 0.000 1.215 352 A HN 1.020 nan 8.150 nan 0.000 0.431 353 A N 3.962 126.991 122.820 0.348 0.000 3.422 353 A HA 0.636 4.957 4.320 0.002 0.000 0.271 353 A C -2.911 174.843 177.584 0.284 0.000 1.104 353 A CA -0.971 51.233 52.037 0.278 0.000 0.899 353 A CB 0.329 19.480 19.000 0.251 0.000 1.309 353 A HN 0.511 nan 8.150 nan 0.000 0.580 354 P HA 0.323 nan 4.420 nan 0.000 0.265 354 P C -0.739 176.569 177.300 0.012 0.000 1.193 354 P CA 0.621 63.688 63.100 -0.056 0.000 0.765 354 P CB 0.138 31.753 31.700 -0.141 0.000 0.823 355 F N -0.040 119.845 119.950 -0.108 0.000 2.588 355 F HA 0.770 5.298 4.527 0.002 0.000 0.314 355 F C -0.618 175.103 175.800 -0.131 0.000 1.069 355 F CA -1.149 56.791 58.000 -0.099 0.000 0.931 355 F CB 1.736 40.561 39.000 -0.292 0.000 1.260 355 F HN 0.410 nan 8.300 nan 0.000 0.465 356 S N 0.425 116.208 115.700 0.139 0.000 2.556 356 S HA 0.941 5.412 4.470 0.002 0.000 0.271 356 S C -0.738 173.815 174.600 -0.077 0.000 1.135 356 S CA -0.189 58.024 58.200 0.021 0.000 0.858 356 S CB 1.483 64.773 63.200 0.149 0.000 1.114 356 S HN 1.439 nan 8.310 nan 0.000 0.468 357 G N 0.024 108.736 108.800 -0.148 0.000 3.382 357 G HA2 0.739 4.700 3.960 0.002 0.000 0.183 357 G HA3 0.739 4.700 3.960 0.002 0.000 0.183 357 G C -1.519 173.382 174.900 0.002 0.000 1.246 357 G CA -0.305 44.644 45.100 -0.253 0.000 0.828 357 G HN 1.153 nan 8.290 nan 0.000 0.728 358 W N -1.445 119.857 121.300 0.003 0.000 3.083 358 W HA 0.808 5.469 4.660 0.002 0.000 0.333 358 W C -1.668 174.865 176.519 0.023 0.000 1.217 358 W CA -2.071 55.290 57.345 0.027 0.000 1.170 358 W CB 0.438 29.956 29.460 0.095 0.000 1.437 358 W HN 0.392 nan 8.180 nan 0.000 0.557 359 Y N 2.553 123.040 120.300 0.312 0.000 2.357 359 Y HA 0.309 4.860 4.550 0.002 0.000 0.340 359 Y C 0.769 176.738 175.900 0.116 0.000 1.260 359 Y CA -0.736 57.435 58.100 0.119 0.000 1.425 359 Y CB 1.059 39.500 38.460 -0.031 0.000 1.326 359 Y HN 0.479 nan 8.280 nan 0.000 0.580 360 M N 1.559 121.314 119.600 0.257 0.000 2.205 360 M HA 0.221 4.702 4.480 0.002 0.000 0.344 360 M C 0.922 177.204 176.300 -0.029 0.000 1.085 360 M CA -0.356 55.017 55.300 0.120 0.000 1.001 360 M CB 1.238 33.890 32.600 0.086 0.000 1.626 360 M HN 0.801 nan 8.290 nan 0.000 0.442 361 S N 1.173 116.822 115.700 -0.084 0.000 2.413 361 S HA -0.218 4.252 4.470 0.002 0.000 0.237 361 S C 1.449 175.889 174.600 -0.267 0.000 1.044 361 S CA 2.268 60.339 58.200 -0.214 0.000 1.024 361 S CB -1.468 61.651 63.200 -0.134 0.000 0.829 361 S HN 0.930 nan 8.310 nan 0.000 0.475 362 T N 0.328 114.744 114.554 -0.229 0.000 2.915 362 T HA -0.024 4.327 4.350 0.002 0.000 0.269 362 T C 1.555 176.079 174.700 -0.293 0.000 1.071 362 T CA 1.191 63.113 62.100 -0.298 0.000 1.132 362 T CB -0.543 68.116 68.868 -0.349 0.000 0.878 362 T HN 0.603 nan 8.240 nan 0.000 0.479 363 E N 0.909 120.950 120.200 -0.266 0.000 2.110 363 E HA -0.020 4.331 4.350 0.002 0.000 0.193 363 E C 2.032 178.318 176.600 -0.523 0.000 0.988 363 E CA 1.242 57.476 56.400 -0.277 0.000 0.804 363 E CB -0.265 29.388 29.700 -0.078 0.000 0.745 363 E HN 0.595 nan 8.360 nan 0.000 0.458 364 I N -0.023 120.112 120.570 -0.726 0.000 2.512 364 I HA -0.019 4.152 4.170 0.002 0.000 0.247 364 I C 2.561 178.314 176.117 -0.607 0.000 1.094 364 I CA 0.805 61.528 61.300 -0.962 0.000 1.427 364 I CB -0.451 36.880 38.000 -1.115 0.000 1.149 364 I HN 0.092 nan 8.210 nan 0.000 0.438 365 G N 0.387 108.933 108.800 -0.424 0.000 2.408 365 G HA2 -0.156 3.805 3.960 0.002 0.000 0.217 365 G HA3 -0.156 3.805 3.960 0.002 0.000 0.217 365 G C 1.610 176.385 174.900 -0.208 0.000 1.150 365 G CA 1.434 46.379 45.100 -0.257 0.000 0.776 365 G HN 0.277 nan 8.290 nan 0.000 0.542 366 T N 0.243 114.649 114.554 -0.245 0.000 2.914 366 T HA 0.081 4.431 4.350 0.002 0.000 0.240 366 T C 2.537 177.122 174.700 -0.191 0.000 1.025 366 T CA 0.374 62.352 62.100 -0.202 0.000 1.198 366 T CB 0.003 68.733 68.868 -0.230 0.000 0.892 366 T HN 0.010 nan 8.240 nan 0.000 0.417 367 R N 2.018 122.384 120.500 -0.223 0.000 2.064 367 R HA 0.086 4.427 4.340 0.002 0.000 0.228 367 R C 2.207 178.388 176.300 -0.198 0.000 1.144 367 R CA 1.191 57.173 56.100 -0.197 0.000 0.932 367 R CB -1.308 28.878 30.300 -0.190 0.000 0.833 367 R HN 0.336 nan 8.270 nan 0.000 0.429 368 N N 0.976 119.504 118.700 -0.287 0.000 2.104 368 N HA -0.110 4.631 4.740 0.002 0.000 0.190 368 N C 1.946 177.379 175.510 -0.128 0.000 1.024 368 N CA 1.156 54.034 53.050 -0.286 0.000 0.853 368 N CB -0.209 37.795 38.487 -0.806 0.000 1.008 368 N HN 0.219 nan 8.380 nan 0.000 0.424 369 L N -1.027 120.077 121.223 -0.198 0.000 2.463 369 L HA 0.121 4.462 4.340 0.002 0.000 0.219 369 L C 1.350 178.242 176.870 0.037 0.000 1.088 369 L CA 0.235 55.056 54.840 -0.031 0.000 0.849 369 L CB 0.300 42.307 42.059 -0.086 0.000 1.012 369 L HN 0.134 nan 8.230 nan 0.000 0.468 370 C N -1.459 117.823 119.300 -0.029 0.000 3.065 370 C HA 0.173 4.634 4.460 0.002 0.000 0.285 370 C C 0.737 175.714 174.990 -0.021 0.000 1.257 370 C CA -0.825 58.186 59.018 -0.011 0.000 1.691 370 C CB -0.229 27.490 27.740 -0.036 0.000 2.089 370 C HN 0.289 nan 8.230 nan 0.000 0.630 371 D N 2.827 123.190 120.400 -0.061 0.000 2.472 371 D HA 0.048 4.689 4.640 0.002 0.000 0.237 371 D C -1.054 175.239 176.300 -0.011 0.000 1.141 371 D CA -1.302 52.654 54.000 -0.072 0.000 0.875 371 D CB 0.703 41.345 40.800 -0.263 0.000 1.192 371 D HN 0.193 nan 8.370 nan 0.000 0.450 372 P HA -0.163 nan 4.420 nan 0.000 0.218 372 P C 0.690 178.079 177.300 0.148 0.000 1.149 372 P CA 1.331 64.505 63.100 0.124 0.000 0.817 372 P CB -0.003 31.777 31.700 0.134 0.000 0.785 373 H N -2.170 116.907 119.070 0.012 0.000 2.519 373 H HA 0.356 4.913 4.556 0.002 0.000 0.289 373 H C 0.929 176.262 175.328 0.008 0.000 1.040 373 H CA -0.309 55.744 56.048 0.008 0.000 1.165 373 H CB -0.055 29.713 29.762 0.009 0.000 1.462 373 H HN -0.021 nan 8.280 nan 0.000 0.555 374 R N -0.263 120.133 120.500 -0.173 0.000 3.066 374 R HA 0.184 4.525 4.340 0.002 0.000 0.143 374 R C 1.097 177.354 176.300 -0.072 0.000 1.187 374 R CA -0.697 55.327 56.100 -0.127 0.000 0.722 374 R CB -0.805 29.430 30.300 -0.108 0.000 1.366 374 R HN 0.094 nan 8.270 nan 0.000 0.421 375 Y N 1.625 121.936 120.300 0.018 0.000 2.352 375 Y HA -0.031 4.520 4.550 0.002 0.000 0.292 375 Y C 0.765 176.685 175.900 0.033 0.000 1.136 375 Y CA 1.380 59.507 58.100 0.045 0.000 1.227 375 Y CB -0.160 38.364 38.460 0.108 0.000 0.991 375 Y HN 0.551 nan 8.280 nan 0.000 0.545 376 N N 1.023 119.812 118.700 0.148 0.000 2.688 376 N HA -0.220 4.521 4.740 0.002 0.000 0.258 376 N C 0.483 176.068 175.510 0.124 0.000 1.016 376 N CA 0.330 53.442 53.050 0.104 0.000 0.747 376 N CB -0.973 37.559 38.487 0.075 0.000 0.895 376 N HN 0.625 nan 8.380 nan 0.000 0.543 377 I N -2.886 117.766 120.570 0.137 0.000 3.793 377 I HA -0.004 4.167 4.170 0.002 0.000 0.315 377 I C 1.797 177.990 176.117 0.126 0.000 1.275 377 I CA -0.395 60.981 61.300 0.126 0.000 1.214 377 I CB -0.037 38.037 38.000 0.123 0.000 1.018 377 I HN 0.130 nan 8.210 nan 0.000 0.439 378 L N 1.893 123.197 121.223 0.136 0.000 1.978 378 L HA -0.271 4.070 4.340 0.002 0.000 0.218 378 L C 2.665 179.710 176.870 0.291 0.000 1.075 378 L CA 2.306 57.252 54.840 0.176 0.000 0.767 378 L CB -0.969 41.161 42.059 0.117 0.000 0.890 378 L HN 0.518 nan 8.230 nan 0.000 0.434 379 E N -1.050 119.336 120.200 0.310 0.000 2.051 379 E HA -0.227 4.124 4.350 0.002 0.000 0.192 379 E C 1.812 178.458 176.600 0.077 0.000 0.991 379 E CA 1.373 57.922 56.400 0.249 0.000 0.799 379 E CB -0.079 29.708 29.700 0.145 0.000 0.748 379 E HN 0.560 nan 8.360 nan 0.000 0.449 380 D N 0.113 120.547 120.400 0.056 0.000 2.133 380 D HA -0.162 4.479 4.640 0.002 0.000 0.195 380 D C 2.058 178.339 176.300 -0.033 0.000 0.997 380 D CA 1.395 55.391 54.000 -0.006 0.000 0.840 380 D CB 0.096 40.901 40.800 0.009 0.000 0.947 380 D HN 0.168 nan 8.370 nan 0.000 0.452 381 V N 1.548 121.488 119.914 0.044 0.000 2.453 381 V HA -0.171 3.950 4.120 0.002 0.000 0.247 381 V C 2.567 178.705 176.094 0.073 0.000 1.048 381 V CA 1.502 63.856 62.300 0.091 0.000 1.049 381 V CB -0.551 31.395 31.823 0.205 0.000 0.672 381 V HN 0.154 nan 8.190 nan 0.000 0.457 382 A N -0.052 122.836 122.820 0.114 0.000 1.902 382 A HA -0.153 4.168 4.320 0.002 0.000 0.217 382 A C 2.388 179.936 177.584 -0.059 0.000 1.181 382 A CA 2.022 54.129 52.037 0.116 0.000 0.623 382 A CB -0.651 18.508 19.000 0.265 0.000 0.818 382 A HN 0.329 nan 8.150 nan 0.000 0.443 383 V N -0.958 118.875 119.914 -0.135 0.000 2.407 383 V HA -0.303 3.818 4.120 0.002 0.000 0.248 383 V C 2.581 178.492 176.094 -0.305 0.000 1.055 383 V CA 1.992 64.169 62.300 -0.205 0.000 1.049 383 V CB -0.982 30.728 31.823 -0.189 0.000 0.662 383 V HN 0.708 nan 8.190 nan 0.000 0.455 384 C N -0.504 118.527 119.300 -0.448 0.000 2.432 384 C HA -0.084 4.377 4.460 0.002 0.000 0.280 384 C C 2.619 177.041 174.990 -0.946 0.000 1.353 384 C CA 0.924 59.381 59.018 -0.935 0.000 1.766 384 C CB -0.970 25.856 27.740 -1.523 0.000 1.924 384 C HN 0.534 nan 8.230 nan 0.000 0.509 385 M N -0.258 119.096 119.600 -0.410 0.000 2.556 385 M HA 0.046 4.527 4.480 0.002 0.000 0.245 385 M C 0.517 176.778 176.300 -0.065 0.000 1.128 385 M CA 0.780 56.043 55.300 -0.061 0.000 1.069 385 M CB -0.152 32.531 32.600 0.139 0.000 1.469 385 M HN 0.175 nan 8.290 nan 0.000 0.494 386 D N 1.673 121.989 120.400 -0.140 0.000 2.716 386 D HA -0.143 4.498 4.640 0.002 0.000 0.239 386 D C -0.929 175.336 176.300 -0.057 0.000 1.125 386 D CA 0.481 54.417 54.000 -0.107 0.000 0.681 386 D CB -1.062 39.686 40.800 -0.088 0.000 1.070 386 D HN 0.278 nan 8.370 nan 0.000 0.432 387 L N -0.116 121.079 121.223 -0.047 0.000 2.416 387 L HA 0.340 4.681 4.340 0.002 0.000 0.262 387 L C 1.092 177.914 176.870 -0.080 0.000 1.093 387 L CA -0.766 54.073 54.840 -0.001 0.000 0.801 387 L CB 0.608 42.730 42.059 0.105 0.000 1.191 387 L HN -0.025 nan 8.230 nan 0.000 0.459 388 D N 0.799 121.175 120.400 -0.041 0.000 2.416 388 D HA 0.002 4.643 4.640 0.002 0.000 0.240 388 D C 0.985 177.121 176.300 -0.272 0.000 1.250 388 D CA -0.054 53.888 54.000 -0.097 0.000 0.967 388 D CB 0.762 41.559 40.800 -0.005 0.000 1.059 388 D HN 0.606 nan 8.370 nan 0.000 0.512 389 T N 0.534 114.775 114.554 -0.521 0.000 3.169 389 T HA 0.076 4.427 4.350 0.002 0.000 0.250 389 T C 1.616 175.991 174.700 -0.543 0.000 1.111 389 T CA 0.020 61.484 62.100 -1.061 0.000 1.010 389 T CB 0.192 68.410 68.868 -1.084 0.000 0.984 389 T HN 0.236 nan 8.240 nan 0.000 0.537 390 R N 0.806 121.157 120.500 -0.248 0.000 2.062 390 R HA 0.083 4.424 4.340 0.002 0.000 0.231 390 R C 1.454 177.757 176.300 0.005 0.000 1.136 390 R CA 1.226 57.266 56.100 -0.100 0.000 0.948 390 R CB -0.429 29.834 30.300 -0.061 0.000 0.845 390 R HN 0.389 nan 8.270 nan 0.000 0.430 391 T N -1.236 113.359 114.554 0.068 0.000 2.942 391 T HA 0.155 4.506 4.350 0.002 0.000 0.289 391 T C 1.093 175.982 174.700 0.315 0.000 1.044 391 T CA -0.532 61.657 62.100 0.148 0.000 1.023 391 T CB 1.887 70.813 68.868 0.096 0.000 1.123 391 T HN 0.291 nan 8.240 nan 0.000 0.512 392 T N -0.510 114.191 114.554 0.246 0.000 3.054 392 T HA 0.012 4.363 4.350 0.002 0.000 0.259 392 T C 2.076 176.838 174.700 0.103 0.000 1.092 392 T CA 0.966 63.180 62.100 0.190 0.000 1.121 392 T CB -0.497 68.416 68.868 0.075 0.000 0.912 392 T HN 0.611 nan 8.240 nan 0.000 0.489 393 S N 2.363 118.124 115.700 0.102 0.000 2.507 393 S HA -0.085 4.386 4.470 0.002 0.000 0.235 393 S C 2.098 176.747 174.600 0.082 0.000 0.988 393 S CA 0.832 59.073 58.200 0.068 0.000 0.944 393 S CB -0.871 62.362 63.200 0.055 0.000 0.762 393 S HN 0.708 nan 8.310 nan 0.000 0.526 394 S N 1.558 117.342 115.700 0.140 0.000 2.527 394 S HA 0.241 4.712 4.470 0.002 0.000 0.222 394 S C 0.945 175.628 174.600 0.138 0.000 0.985 394 S CA 0.223 58.512 58.200 0.147 0.000 0.921 394 S CB -0.964 62.352 63.200 0.194 0.000 0.772 394 S HN 0.638 nan 8.310 nan 0.000 0.529 395 L N 0.820 122.096 121.223 0.089 0.000 3.717 395 L HA -0.173 4.168 4.340 0.002 0.000 0.414 395 L C 1.636 178.506 176.870 -0.001 0.000 1.228 395 L CA 0.638 55.468 54.840 -0.015 0.000 0.918 395 L CB -2.506 39.552 42.059 -0.002 0.000 1.865 395 L HN 0.726 nan 8.230 nan 0.000 0.922 396 W N 0.046 121.355 121.300 0.016 0.000 2.350 396 W HA -0.158 4.502 4.660 0.001 0.000 0.289 396 W C 1.707 178.240 176.519 0.023 0.000 1.215 396 W CA 1.403 58.759 57.345 0.018 0.000 1.236 396 W CB -0.728 28.739 29.460 0.011 0.000 1.130 396 W HN 0.303 nan 8.180 nan 0.000 0.541 397 K N 1.029 121.009 120.400 -0.700 0.000 2.057 397 K HA -0.158 4.163 4.320 0.002 0.000 0.207 397 K C 1.534 177.994 176.600 -0.233 0.000 1.049 397 K CA 2.328 58.240 56.287 -0.624 0.000 0.931 397 K CB -0.345 31.659 32.500 -0.827 0.000 0.714 397 K HN 0.068 nan 8.250 nan 0.000 0.440 398 D N 0.691 120.981 120.400 -0.183 0.000 2.097 398 D HA -0.120 4.521 4.640 0.002 0.000 0.197 398 D C 1.727 178.018 176.300 -0.015 0.000 0.984 398 D CA 1.220 55.169 54.000 -0.085 0.000 0.826 398 D CB 0.021 40.780 40.800 -0.068 0.000 0.973 398 D HN 0.115 nan 8.370 nan 0.000 0.460 399 K N 0.612 121.027 120.400 0.024 0.000 2.026 399 K HA -0.041 4.280 4.320 0.002 0.000 0.208 399 K C 2.249 178.908 176.600 0.099 0.000 1.048 399 K CA 1.178 57.508 56.287 0.072 0.000 0.929 399 K CB -0.217 32.346 32.500 0.104 0.000 0.713 399 K HN 0.083 nan 8.250 nan 0.000 0.439 400 A N 1.685 124.579 122.820 0.124 0.000 1.883 400 A HA -0.160 4.161 4.320 0.002 0.000 0.217 400 A C 2.416 180.076 177.584 0.126 0.000 1.186 400 A CA 1.986 54.122 52.037 0.164 0.000 0.624 400 A CB -0.825 18.299 19.000 0.207 0.000 0.822 400 A HN 0.352 nan 8.150 nan 0.000 0.444 401 A N -0.644 122.210 122.820 0.057 0.000 1.940 401 A HA -0.032 4.289 4.320 0.002 0.000 0.219 401 A C 2.242 179.840 177.584 0.022 0.000 1.176 401 A CA 1.889 53.937 52.037 0.018 0.000 0.631 401 A CB -0.940 18.035 19.000 -0.041 0.000 0.814 401 A HN 0.410 nan 8.150 nan 0.000 0.446 402 V N 0.288 120.223 119.914 0.036 0.000 2.295 402 V HA -0.201 3.920 4.120 0.002 0.000 0.246 402 V C 2.537 178.674 176.094 0.071 0.000 1.049 402 V CA 2.105 64.432 62.300 0.046 0.000 1.024 402 V CB -0.694 31.164 31.823 0.057 0.000 0.648 402 V HN 0.522 nan 8.190 nan 0.000 0.447 403 E N -0.030 120.237 120.200 0.110 0.000 2.150 403 E HA -0.130 4.221 4.350 0.002 0.000 0.193 403 E C 2.108 178.780 176.600 0.119 0.000 0.985 403 E CA 1.189 57.685 56.400 0.160 0.000 0.814 403 E CB -0.282 29.487 29.700 0.116 0.000 0.752 403 E HN 0.592 nan 8.360 nan 0.000 0.466 404 I N 1.144 121.797 120.570 0.138 0.000 2.252 404 I HA -0.255 3.916 4.170 0.002 0.000 0.245 404 I C 1.709 177.821 176.117 -0.009 0.000 1.102 404 I CA 0.965 62.347 61.300 0.138 0.000 1.385 404 I CB -0.284 37.837 38.000 0.203 0.000 1.064 404 I HN 0.026 nan 8.210 nan 0.000 0.414 405 N N 0.612 119.297 118.700 -0.026 0.000 2.244 405 N HA -0.159 4.582 4.740 0.002 0.000 0.183 405 N C 1.663 177.133 175.510 -0.067 0.000 1.016 405 N CA 0.822 53.827 53.050 -0.074 0.000 0.866 405 N CB -0.137 38.306 38.487 -0.074 0.000 0.980 405 N HN 0.152 nan 8.380 nan 0.000 0.430 406 L N 0.592 121.786 121.223 -0.049 0.000 2.056 406 L HA 0.047 4.388 4.340 0.002 0.000 0.207 406 L C 1.994 178.756 176.870 -0.180 0.000 1.078 406 L CA 1.307 56.091 54.840 -0.092 0.000 0.749 406 L CB -0.810 41.198 42.059 -0.085 0.000 0.901 406 L HN 0.143 nan 8.230 nan 0.000 0.433 407 A N -1.336 121.337 122.820 -0.244 0.000 1.933 407 A HA -0.151 4.170 4.320 0.002 0.000 0.218 407 A C 2.276 179.765 177.584 -0.158 0.000 1.175 407 A CA 1.919 53.735 52.037 -0.368 0.000 0.628 407 A CB -1.011 17.451 19.000 -0.897 0.000 0.814 407 A HN 0.296 nan 8.150 nan 0.000 0.444 408 V N -0.158 119.686 119.914 -0.117 0.000 2.358 408 V HA -0.227 3.894 4.120 0.002 0.000 0.246 408 V C 2.543 178.619 176.094 -0.030 0.000 1.047 408 V CA 1.928 64.187 62.300 -0.069 0.000 1.035 408 V CB -0.629 31.081 31.823 -0.187 0.000 0.658 408 V HN 0.576 nan 8.190 nan 0.000 0.452 409 L N -0.618 120.573 121.223 -0.053 0.000 2.093 409 L HA -0.177 4.164 4.340 0.002 0.000 0.208 409 L C 2.570 179.464 176.870 0.039 0.000 1.085 409 L CA 1.867 56.699 54.840 -0.014 0.000 0.755 409 L CB -0.721 41.328 42.059 -0.017 0.000 0.904 409 L HN 0.478 nan 8.230 nan 0.000 0.435 410 H N -0.475 118.546 119.070 -0.081 0.000 2.326 410 H HA -0.113 4.444 4.556 0.002 0.000 0.301 410 H C 2.343 177.649 175.328 -0.036 0.000 1.081 410 H CA 1.883 57.873 56.048 -0.095 0.000 1.334 410 H CB 0.061 29.701 29.762 -0.203 0.000 1.385 410 H HN 0.112 nan 8.280 nan 0.000 0.504 411 S N -0.298 115.344 115.700 -0.098 0.000 2.356 411 S HA -0.109 4.362 4.470 0.002 0.000 0.223 411 S C 1.867 176.451 174.600 -0.026 0.000 1.032 411 S CA 1.260 59.401 58.200 -0.097 0.000 1.005 411 S CB -0.450 62.784 63.200 0.056 0.000 0.867 411 S HN 0.335 nan 8.310 nan 0.000 0.449 412 F N 1.888 121.776 119.950 -0.104 0.000 2.234 412 F HA -0.049 4.479 4.527 0.002 0.000 0.299 412 F C 2.583 178.330 175.800 -0.089 0.000 1.087 412 F CA 0.867 58.830 58.000 -0.062 0.000 1.340 412 F CB -0.540 38.450 39.000 -0.017 0.000 1.031 412 F HN 0.220 nan 8.300 nan 0.000 0.500 413 Q N -0.793 119.037 119.800 0.049 0.000 2.123 413 Q HA -0.150 4.191 4.340 0.002 0.000 0.199 413 Q C 2.164 178.100 176.000 -0.107 0.000 0.966 413 Q CA 0.913 56.697 55.803 -0.030 0.000 0.845 413 Q CB -0.306 28.412 28.738 -0.033 0.000 0.907 413 Q HN 0.311 nan 8.270 nan 0.000 0.439 414 L N 0.055 121.155 121.223 -0.206 0.000 2.093 414 L HA -0.030 4.311 4.340 0.002 0.000 0.208 414 L C 1.814 178.592 176.870 -0.153 0.000 1.085 414 L CA 1.657 56.361 54.840 -0.227 0.000 0.755 414 L CB -0.379 41.454 42.059 -0.377 0.000 0.904 414 L HN 0.099 nan 8.230 nan 0.000 0.435 415 A N -1.548 121.178 122.820 -0.157 0.000 2.251 415 A HA 0.067 4.388 4.320 0.002 0.000 0.209 415 A C 0.614 178.126 177.584 -0.121 0.000 1.187 415 A CA -0.042 51.906 52.037 -0.148 0.000 0.823 415 A CB -0.290 18.584 19.000 -0.211 0.000 0.846 415 A HN 0.343 nan 8.150 nan 0.000 0.486 416 K N -0.995 119.349 120.400 -0.093 0.000 3.162 416 K HA -0.122 4.199 4.320 0.002 0.000 0.268 416 K C -0.665 175.898 176.600 -0.061 0.000 1.062 416 K CA 0.776 57.022 56.287 -0.069 0.000 0.769 416 K CB -2.726 29.735 32.500 -0.065 0.000 1.274 416 K HN 0.305 nan 8.250 nan 0.000 0.478 417 V N 0.956 120.845 119.914 -0.042 0.000 2.448 417 V HA 0.204 4.325 4.120 0.002 0.000 0.295 417 V C 0.757 176.934 176.094 0.138 0.000 1.025 417 V CA -0.778 61.529 62.300 0.011 0.000 0.859 417 V CB 2.079 33.831 31.823 -0.117 0.000 0.988 417 V HN 0.296 nan 8.190 nan 0.000 0.431 418 T N 6.052 120.645 114.554 0.064 0.000 2.866 418 T HA 0.345 4.696 4.350 0.002 0.000 0.293 418 T C -0.311 174.456 174.700 0.110 0.000 1.005 418 T CA 0.935 63.000 62.100 -0.057 0.000 1.162 418 T CB -0.096 68.591 68.868 -0.302 0.000 0.968 418 T HN 0.493 nan 8.240 nan 0.000 0.530 419 I N 3.325 123.907 120.570 0.020 0.000 2.842 419 I HA 0.604 4.775 4.170 0.002 0.000 0.297 419 I C -1.531 174.624 176.117 0.064 0.000 1.380 419 I CA -0.752 60.599 61.300 0.085 0.000 1.018 419 I CB 2.169 40.167 38.000 -0.003 0.000 1.311 419 I HN 0.426 nan 8.210 nan 0.000 0.439 420 V N 5.997 126.003 119.914 0.154 0.000 2.638 420 V HA 0.570 4.691 4.120 0.002 0.000 0.306 420 V C -1.224 174.934 176.094 0.106 0.000 1.052 420 V CA -0.333 62.059 62.300 0.153 0.000 0.885 420 V CB 2.017 34.017 31.823 0.294 0.000 0.999 420 V HN 0.910 nan 8.190 nan 0.000 0.424 421 D N 4.127 124.570 120.400 0.071 0.000 2.358 421 D HA 0.171 4.812 4.640 0.002 0.000 0.244 421 D C 1.278 177.603 176.300 0.043 0.000 1.163 421 D CA 0.146 54.185 54.000 0.066 0.000 0.945 421 D CB 0.489 41.302 40.800 0.023 0.000 1.152 421 D HN 0.726 nan 8.370 nan 0.000 0.451 422 H N -0.022 118.968 119.070 -0.134 0.000 2.489 422 H HA -0.143 4.414 4.556 0.002 0.000 0.293 422 H C 0.944 176.179 175.328 -0.155 0.000 1.066 422 H CA 1.378 57.321 56.048 -0.176 0.000 1.305 422 H CB -0.595 29.009 29.762 -0.263 0.000 1.386 422 H HN 0.519 nan 8.280 nan 0.000 0.551 423 H N 1.059 119.920 119.070 -0.348 0.000 2.343 423 H HA 0.190 4.747 4.556 0.002 0.000 0.303 423 H C 2.528 177.825 175.328 -0.051 0.000 1.068 423 H CA 1.312 57.241 56.048 -0.198 0.000 1.359 423 H CB -0.372 29.247 29.762 -0.239 0.000 1.402 423 H HN 0.498 nan 8.280 nan 0.000 0.515 424 A N 1.472 124.347 122.820 0.091 0.000 1.877 424 A HA -0.109 4.212 4.320 0.002 0.000 0.216 424 A C 2.698 180.352 177.584 0.117 0.000 1.186 424 A CA 1.904 53.998 52.037 0.095 0.000 0.620 424 A CB -0.893 18.157 19.000 0.084 0.000 0.822 424 A HN 0.430 nan 8.150 nan 0.000 0.443 425 A N -0.177 122.712 122.820 0.116 0.000 1.865 425 A HA -0.152 4.169 4.320 0.002 0.000 0.217 425 A C 2.472 180.150 177.584 0.157 0.000 1.191 425 A CA 2.829 54.951 52.037 0.141 0.000 0.623 425 A CB -1.553 17.519 19.000 0.119 0.000 0.826 425 A HN 0.827 nan 8.150 nan 0.000 0.444 426 T N -2.818 111.812 114.554 0.127 0.000 2.915 426 T HA -0.050 4.301 4.350 0.002 0.000 0.269 426 T C 1.632 176.458 174.700 0.209 0.000 1.071 426 T CA 1.346 63.544 62.100 0.163 0.000 1.132 426 T CB -0.553 68.378 68.868 0.105 0.000 0.878 426 T HN 0.054 nan 8.240 nan 0.000 0.479 427 V N 2.605 122.618 119.914 0.164 0.000 2.453 427 V HA -0.122 3.999 4.120 0.002 0.000 0.247 427 V C 3.159 179.342 176.094 0.147 0.000 1.048 427 V CA 1.920 64.306 62.300 0.143 0.000 1.049 427 V CB -0.681 31.207 31.823 0.109 0.000 0.672 427 V HN 0.792 nan 8.190 nan 0.000 0.457 428 S N -0.501 115.297 115.700 0.164 0.000 2.428 428 S HA -0.149 4.322 4.470 0.002 0.000 0.230 428 S C 1.928 176.650 174.600 0.203 0.000 1.014 428 S CA 1.066 59.362 58.200 0.161 0.000 0.957 428 S CB -0.608 62.688 63.200 0.160 0.000 0.784 428 S HN 0.496 nan 8.310 nan 0.000 0.499 429 F N 2.160 122.171 119.950 0.101 0.000 2.259 429 F HA 0.169 4.697 4.527 0.002 0.000 0.298 429 F C 2.220 178.105 175.800 0.142 0.000 1.088 429 F CA 1.049 59.124 58.000 0.124 0.000 1.358 429 F CB -0.281 38.773 39.000 0.090 0.000 1.040 429 F HN 0.107 nan 8.300 nan 0.000 0.505 430 M N 0.026 119.703 119.600 0.129 0.000 2.175 430 M HA -0.157 4.324 4.480 0.002 0.000 0.264 430 M C 2.167 178.451 176.300 -0.027 0.000 1.063 430 M CA 1.398 56.721 55.300 0.038 0.000 1.119 430 M CB -1.120 31.546 32.600 0.110 0.000 1.377 430 M HN 0.071 nan 8.290 nan 0.000 0.415 431 K N -0.266 120.145 120.400 0.018 0.000 2.097 431 K HA -0.188 4.133 4.320 0.002 0.000 0.205 431 K C 1.933 178.522 176.600 -0.019 0.000 1.050 431 K CA 1.625 57.919 56.287 0.012 0.000 0.938 431 K CB -0.546 31.983 32.500 0.048 0.000 0.718 431 K HN 0.348 nan 8.250 nan 0.000 0.442 432 H N -0.023 118.959 119.070 -0.146 0.000 2.389 432 H HA 0.051 4.608 4.556 0.002 0.000 0.299 432 H C 1.623 176.784 175.328 -0.278 0.000 1.081 432 H CA 1.927 57.858 56.048 -0.196 0.000 1.345 432 H CB -0.087 29.527 29.762 -0.247 0.000 1.393 432 H HN 0.166 nan 8.280 nan 0.000 0.520 433 L N -0.228 120.708 121.223 -0.478 0.000 2.083 433 L HA -0.147 4.194 4.340 0.002 0.000 0.209 433 L C 2.206 178.918 176.870 -0.264 0.000 1.083 433 L CA 1.692 56.274 54.840 -0.431 0.000 0.752 433 L CB -0.381 41.491 42.059 -0.311 0.000 0.899 433 L HN 0.368 nan 8.230 nan 0.000 0.433 434 D N -0.038 120.254 120.400 -0.181 0.000 2.117 434 D HA -0.174 4.467 4.640 0.002 0.000 0.198 434 D C 1.917 178.149 176.300 -0.113 0.000 0.982 434 D CA 1.125 55.059 54.000 -0.110 0.000 0.828 434 D CB 0.081 40.843 40.800 -0.063 0.000 0.967 434 D HN 0.120 nan 8.370 nan 0.000 0.464 435 N N 0.491 119.113 118.700 -0.131 0.000 2.120 435 N HA -0.118 4.623 4.740 0.002 0.000 0.188 435 N C 1.559 176.995 175.510 -0.123 0.000 1.024 435 N CA 0.811 53.807 53.050 -0.090 0.000 0.852 435 N CB -0.231 38.234 38.487 -0.035 0.000 1.003 435 N HN 0.325 nan 8.380 nan 0.000 0.424 436 E N 0.504 120.550 120.200 -0.257 0.000 2.208 436 E HA -0.138 4.213 4.350 0.002 0.000 0.193 436 E C 1.804 178.318 176.600 -0.143 0.000 0.988 436 E CA 0.463 56.718 56.400 -0.242 0.000 0.828 436 E CB -0.022 29.428 29.700 -0.417 0.000 0.763 436 E HN 0.352 nan 8.360 nan 0.000 0.478 437 Q N 1.516 121.239 119.800 -0.128 0.000 2.079 437 Q HA -0.108 4.233 4.340 0.002 0.000 0.200 437 Q C 1.706 177.671 176.000 -0.059 0.000 0.974 437 Q CA 1.676 57.431 55.803 -0.079 0.000 0.840 437 Q CB 0.089 28.784 28.738 -0.071 0.000 0.898 437 Q HN 0.120 nan 8.270 nan 0.000 0.430 438 K N -0.660 119.707 120.400 -0.055 0.000 2.116 438 K HA 0.073 4.394 4.320 0.002 0.000 0.203 438 K C 2.040 178.622 176.600 -0.029 0.000 1.052 438 K CA 0.958 57.223 56.287 -0.037 0.000 0.952 438 K CB -0.160 32.322 32.500 -0.030 0.000 0.729 438 K HN 0.217 nan 8.250 nan 0.000 0.446 439 A N 1.529 124.332 122.820 -0.029 0.000 1.854 439 A HA -0.069 4.252 4.320 0.002 0.000 0.214 439 A C 1.867 179.442 177.584 -0.014 0.000 1.192 439 A CA 1.211 53.243 52.037 -0.007 0.000 0.611 439 A CB -0.076 18.936 19.000 0.018 0.000 0.832 439 A HN 0.148 nan 8.150 nan 0.000 0.442 440 R N -2.480 118.000 120.500 -0.035 0.000 2.509 440 R HA 0.271 4.612 4.340 0.002 0.000 0.297 440 R C 0.882 177.164 176.300 -0.030 0.000 0.951 440 R CA 0.553 56.636 56.100 -0.028 0.000 1.103 440 R CB 0.691 30.970 30.300 -0.034 0.000 1.283 440 R HN 0.720 nan 8.270 nan 0.000 0.534 441 G N 0.826 109.601 108.800 -0.042 0.000 2.136 441 G HA2 -0.192 3.769 3.960 0.002 0.000 0.242 441 G HA3 -0.192 3.769 3.960 0.002 0.000 0.242 441 G C 0.225 175.110 174.900 -0.024 0.000 0.989 441 G CA 0.024 45.095 45.100 -0.049 0.000 0.682 441 G HN 0.727 nan 8.290 nan 0.000 0.522 442 G N -2.351 106.443 108.800 -0.010 0.000 2.327 442 G HA2 0.565 4.526 3.960 0.002 0.000 0.291 442 G HA3 0.565 4.526 3.960 0.002 0.000 0.291 442 G C -0.869 174.049 174.900 0.029 0.000 1.290 442 G CA 0.542 45.666 45.100 0.040 0.000 0.857 442 G HN 2.013 nan 8.290 nan 0.000 0.520 443 C N 1.590 120.943 119.300 0.089 0.000 3.050 443 C HA 0.661 5.121 4.460 0.002 0.000 0.416 443 C C -2.685 172.296 174.990 -0.015 0.000 0.994 443 C CA -0.945 58.068 59.018 -0.008 0.000 1.222 443 C CB 1.376 29.037 27.740 -0.131 0.000 1.612 443 C HN 0.721 nan 8.230 nan 0.000 0.550 444 P HA 0.419 nan 4.420 nan 0.000 0.271 444 P C -0.637 176.587 177.300 -0.127 0.000 1.233 444 P CA 0.556 63.342 63.100 -0.524 0.000 0.764 444 P CB 1.063 32.204 31.700 -0.932 0.000 0.825 445 A N 2.989 125.814 122.820 0.008 0.000 2.455 445 A HA 0.395 4.716 4.320 0.002 0.000 0.300 445 A C -0.840 176.819 177.584 0.125 0.000 1.040 445 A CA -0.584 51.532 52.037 0.133 0.000 0.697 445 A CB 1.265 20.459 19.000 0.323 0.000 1.265 445 A HN 0.443 nan 8.150 nan 0.000 0.407 446 D N 2.200 122.660 120.400 0.100 0.000 2.456 446 D HA 0.099 4.740 4.640 0.002 0.000 0.219 446 D C 0.864 177.313 176.300 0.249 0.000 1.126 446 D CA -0.430 53.660 54.000 0.150 0.000 0.890 446 D CB 0.320 41.147 40.800 0.046 0.000 1.025 446 D HN 0.642 nan 8.370 nan 0.000 0.511 447 W N 4.163 125.514 121.300 0.085 0.000 2.290 447 W HA -0.366 4.295 4.660 0.002 0.000 0.318 447 W C 1.986 178.544 176.519 0.064 0.000 1.248 447 W CA 2.541 59.919 57.345 0.055 0.000 1.263 447 W CB 0.020 29.488 29.460 0.013 0.000 1.147 447 W HN 0.549 nan 8.180 nan 0.000 0.494 448 A N -1.403 121.728 122.820 0.517 0.000 2.019 448 A HA -0.198 4.123 4.320 0.002 0.000 0.219 448 A C 1.469 179.117 177.584 0.106 0.000 1.164 448 A CA 1.635 53.883 52.037 0.351 0.000 0.644 448 A CB -1.258 17.963 19.000 0.369 0.000 0.805 448 A HN 0.547 nan 8.150 nan 0.000 0.449 449 W N -0.801 120.486 121.300 -0.022 0.000 2.630 449 W HA 0.172 4.833 4.660 0.002 0.000 0.271 449 W C 1.863 178.279 176.519 -0.171 0.000 1.244 449 W CA -0.060 57.245 57.345 -0.067 0.000 1.353 449 W CB -0.113 29.332 29.460 -0.025 0.000 1.080 449 W HN 0.137 nan 8.180 nan 0.000 0.594 450 I N -0.122 120.418 120.570 -0.049 0.000 2.286 450 I HA -0.083 4.088 4.170 0.002 0.000 0.245 450 I C 0.695 176.611 176.117 -0.335 0.000 1.104 450 I CA 0.795 61.924 61.300 -0.285 0.000 1.397 450 I CB -1.578 36.184 38.000 -0.397 0.000 1.072 450 I HN -0.405 nan 8.210 nan 0.000 0.417 451 V N 4.864 124.499 119.914 -0.464 0.000 2.479 451 V HA 0.087 4.208 4.120 0.002 0.000 0.281 451 V C -1.698 174.223 176.094 -0.287 0.000 1.031 451 V CA -1.106 60.904 62.300 -0.484 0.000 1.038 451 V CB 0.139 31.406 31.823 -0.927 0.000 0.981 451 V HN 0.179 nan 8.190 nan 0.000 0.478 452 P HA 0.126 nan 4.420 nan 0.000 0.270 452 P C -1.992 175.195 177.300 -0.187 0.000 1.223 452 P CA -1.299 61.692 63.100 -0.182 0.000 0.785 452 P CB 0.164 31.778 31.700 -0.144 0.000 0.923 453 P HA 0.002 nan 4.420 nan 0.000 0.230 453 P C 0.448 177.649 177.300 -0.166 0.000 1.158 453 P CA 1.144 64.134 63.100 -0.183 0.000 0.769 453 P CB 0.021 31.601 31.700 -0.201 0.000 0.807 454 I N -6.679 113.766 120.570 -0.208 0.000 2.769 454 I HA 0.452 4.623 4.170 0.002 0.000 0.298 454 I C -0.358 175.689 176.117 -0.118 0.000 1.128 454 I CA -1.210 59.989 61.300 -0.168 0.000 1.031 454 I CB 2.121 39.995 38.000 -0.210 0.000 1.235 454 I HN -0.383 nan 8.210 nan 0.000 0.423 455 S N 2.413 118.087 115.700 -0.045 0.000 3.682 455 S HA -0.176 4.295 4.470 0.002 0.000 0.354 455 S C 1.308 175.910 174.600 0.002 0.000 1.034 455 S CA 0.730 58.939 58.200 0.015 0.000 1.084 455 S CB -1.667 61.611 63.200 0.131 0.000 0.903 455 S HN 1.278 nan 8.310 nan 0.000 0.470 456 G N 2.249 111.024 108.800 -0.041 0.000 2.491 456 G HA2 -0.272 3.689 3.960 0.002 0.000 0.218 456 G HA3 -0.272 3.689 3.960 0.002 0.000 0.218 456 G C 1.455 176.248 174.900 -0.178 0.000 1.180 456 G CA 1.368 46.458 45.100 -0.018 0.000 0.774 456 G HN 1.244 nan 8.290 nan 0.000 0.562 457 S N -0.053 115.289 115.700 -0.596 0.000 2.515 457 S HA 0.121 4.592 4.470 0.002 0.000 0.231 457 S C 1.941 176.472 174.600 -0.115 0.000 0.987 457 S CA 0.480 58.185 58.200 -0.825 0.000 0.936 457 S CB -0.032 62.576 63.200 -0.987 0.000 0.766 457 S HN 0.054 nan 8.310 nan 0.000 0.528 458 L N 2.531 123.742 121.223 -0.020 0.000 2.478 458 L HA 0.231 4.572 4.340 0.002 0.000 0.223 458 L C 1.362 178.341 176.870 0.182 0.000 1.140 458 L CA 0.729 55.632 54.840 0.105 0.000 0.842 458 L CB -1.161 40.993 42.059 0.158 0.000 0.953 458 L HN 0.620 nan 8.230 nan 0.000 0.452 459 T N -4.459 110.195 114.554 0.168 0.000 2.888 459 T HA 0.381 4.732 4.350 0.002 0.000 0.284 459 T C -1.690 173.152 174.700 0.236 0.000 1.017 459 T CA -1.932 60.287 62.100 0.199 0.000 1.022 459 T CB 2.119 71.070 68.868 0.137 0.000 1.013 459 T HN -0.157 nan 8.240 nan 0.000 0.465 460 P HA -0.104 nan 4.420 nan 0.000 0.218 460 P C 1.805 179.275 177.300 0.283 0.000 1.149 460 P CA 1.182 64.460 63.100 0.297 0.000 0.817 460 P CB -0.336 31.493 31.700 0.216 0.000 0.785 461 V N -3.625 116.407 119.914 0.196 0.000 2.490 461 V HA -0.199 3.922 4.120 0.002 0.000 0.250 461 V C 2.392 178.533 176.094 0.079 0.000 1.061 461 V CA 1.329 63.713 62.300 0.139 0.000 1.064 461 V CB -2.268 29.570 31.823 0.026 0.000 0.670 461 V HN -0.117 nan 8.190 nan 0.000 0.461 462 F N 1.994 121.864 119.950 -0.132 0.000 2.161 462 F HA -0.135 4.393 4.527 0.001 0.000 0.300 462 F C 2.352 178.192 175.800 0.067 0.000 1.089 462 F CA 2.061 59.971 58.000 -0.150 0.000 1.282 462 F CB -0.307 38.488 39.000 -0.342 0.000 1.010 462 F HN 0.307 nan 8.300 nan 0.000 0.485 463 H N -0.893 118.522 119.070 0.575 0.000 2.524 463 H HA 0.155 4.712 4.556 0.001 0.000 0.280 463 H C 0.135 175.725 175.328 0.436 0.000 1.018 463 H CA 0.105 56.457 56.048 0.506 0.000 1.165 463 H CB -0.202 29.823 29.762 0.439 0.000 1.411 463 H HN 0.248 nan 8.280 nan 0.000 0.569 464 Q N 1.837 121.910 119.800 0.455 0.000 2.325 464 Q HA 0.190 4.531 4.340 0.002 0.000 0.262 464 Q C -0.601 175.638 176.000 0.399 0.000 0.968 464 Q CA -0.472 55.554 55.803 0.371 0.000 0.877 464 Q CB 1.015 29.930 28.738 0.295 0.000 1.253 464 Q HN 0.224 nan 8.270 nan 0.000 0.448 465 E N 3.327 123.720 120.200 0.322 0.000 2.383 465 E HA 0.318 4.669 4.350 0.002 0.000 0.264 465 E C -0.523 176.222 176.600 0.242 0.000 1.050 465 E CA 0.164 56.718 56.400 0.257 0.000 0.896 465 E CB 0.883 30.712 29.700 0.216 0.000 0.982 465 E HN 0.598 nan 8.360 nan 0.000 0.424 466 M N 1.414 121.159 119.600 0.242 0.000 2.572 466 M HA 0.391 4.872 4.480 0.002 0.000 0.299 466 M C -1.154 175.266 176.300 0.200 0.000 1.205 466 M CA -1.025 54.420 55.300 0.243 0.000 0.876 466 M CB 2.340 35.134 32.600 0.324 0.000 1.728 466 M HN 0.151 nan 8.290 nan 0.000 0.458 467 V N 1.785 121.831 119.914 0.219 0.000 2.459 467 V HA 0.499 4.620 4.120 0.002 0.000 0.295 467 V C -0.703 175.565 176.094 0.291 0.000 1.029 467 V CA -0.690 61.769 62.300 0.265 0.000 0.874 467 V CB 1.717 33.728 31.823 0.313 0.000 0.985 467 V HN 0.814 nan 8.190 nan 0.000 0.438 468 N N 3.545 122.406 118.700 0.269 0.000 2.342 468 N HA 0.676 5.417 4.740 0.002 0.000 0.293 468 N C -1.297 174.368 175.510 0.258 0.000 1.026 468 N CA -0.436 52.697 53.050 0.138 0.000 0.857 468 N CB 1.516 40.058 38.487 0.091 0.000 1.256 468 N HN 0.645 nan 8.380 nan 0.000 0.484 469 Y N 0.371 120.692 120.300 0.035 0.000 2.689 469 Y HA 0.568 5.119 4.550 0.001 0.000 0.333 469 Y C -1.160 174.746 175.900 0.010 0.000 1.208 469 Y CA -1.260 56.855 58.100 0.024 0.000 1.055 469 Y CB 0.692 39.171 38.460 0.031 0.000 1.304 469 Y HN 0.219 nan 8.280 nan 0.000 0.455 470 I N 3.288 123.940 120.570 0.137 0.000 2.321 470 I HA 0.448 4.619 4.170 0.002 0.000 0.291 470 I C -0.679 175.491 176.117 0.088 0.000 0.998 470 I CA -0.495 60.830 61.300 0.042 0.000 1.227 470 I CB 1.080 39.099 38.000 0.032 0.000 1.368 470 I HN 0.423 nan 8.210 nan 0.000 0.466 471 L N 4.799 126.034 121.223 0.021 0.000 2.333 471 L HA 0.589 4.930 4.340 0.002 0.000 0.269 471 L C -0.112 176.753 176.870 -0.007 0.000 1.010 471 L CA -0.567 54.298 54.840 0.042 0.000 0.818 471 L CB 2.151 44.225 42.059 0.025 0.000 1.306 471 L HN 0.527 nan 8.230 nan 0.000 0.430 472 S N 1.400 117.108 115.700 0.013 0.000 2.526 472 S HA 0.630 5.101 4.470 0.002 0.000 0.293 472 S C -2.594 172.021 174.600 0.024 0.000 1.092 472 S CA -1.390 56.804 58.200 -0.009 0.000 0.980 472 S CB 1.921 65.129 63.200 0.014 0.000 1.048 472 S HN 0.240 nan 8.310 nan 0.000 0.483 473 P HA 0.327 nan 4.420 nan 0.000 0.267 473 P C -1.373 175.809 177.300 -0.197 0.000 1.195 473 P CA 0.115 63.122 63.100 -0.154 0.000 0.773 473 P CB 0.402 31.968 31.700 -0.223 0.000 0.837 474 A N 1.659 124.322 122.820 -0.261 0.000 2.589 474 A HA 0.629 4.950 4.320 0.002 0.000 0.296 474 A C -1.548 175.838 177.584 -0.329 0.000 1.062 474 A CA -0.461 51.431 52.037 -0.243 0.000 0.686 474 A CB 0.739 19.663 19.000 -0.127 0.000 1.282 474 A HN 0.281 nan 8.150 nan 0.000 0.404 475 F N 1.424 121.276 119.950 -0.163 0.000 2.411 475 F HA 0.655 5.183 4.527 0.002 0.000 0.350 475 F C 1.031 176.710 175.800 -0.201 0.000 1.114 475 F CA 0.385 58.281 58.000 -0.173 0.000 1.135 475 F CB 1.560 40.404 39.000 -0.260 0.000 1.120 475 F HN 0.579 nan 8.300 nan 0.000 0.495 476 R N 1.714 122.221 120.500 0.013 0.000 2.888 476 R HA 0.499 4.840 4.340 0.002 0.000 0.266 476 R C -1.536 174.726 176.300 -0.063 0.000 1.020 476 R CA -1.193 54.855 56.100 -0.085 0.000 0.963 476 R CB 1.550 31.836 30.300 -0.022 0.000 1.197 476 R HN 0.375 nan 8.270 nan 0.000 0.481 477 Y N 1.250 121.572 120.300 0.037 0.000 2.301 477 Y HA 0.187 4.738 4.550 0.002 0.000 0.328 477 Y C 0.518 176.421 175.900 0.005 0.000 1.242 477 Y CA -0.093 58.022 58.100 0.024 0.000 1.323 477 Y CB 1.051 39.511 38.460 0.001 0.000 1.266 477 Y HN 0.451 nan 8.280 nan 0.000 0.527 478 Q N 1.345 121.249 119.800 0.175 0.000 2.456 478 Q HA 0.645 4.986 4.340 0.002 0.000 0.284 478 Q C -3.104 172.872 176.000 -0.040 0.000 1.061 478 Q CA -2.498 53.335 55.803 0.050 0.000 0.799 478 Q CB 2.051 30.811 28.738 0.037 0.000 1.445 478 Q HN 0.264 nan 8.270 nan 0.000 0.411 479 P HA 0.054 nan 4.420 nan 0.000 0.269 479 P C -1.029 176.065 177.300 -0.343 0.000 1.217 479 P CA 0.024 63.001 63.100 -0.205 0.000 0.783 479 P CB 0.368 31.960 31.700 -0.179 0.000 0.898 480 D N 2.659 122.719 120.400 -0.566 0.000 2.351 480 D HA 0.045 4.686 4.640 0.002 0.000 0.251 480 D C -1.038 174.668 176.300 -0.990 0.000 1.137 480 D CA -1.337 52.034 54.000 -1.049 0.000 0.879 480 D CB 0.388 40.148 40.800 -1.733 0.000 1.181 480 D HN 0.273 nan 8.370 nan 0.000 0.448 481 P HA -0.108 nan 4.420 nan 0.000 0.221 481 P C 0.285 177.303 177.300 -0.469 0.000 1.145 481 P CA 0.867 63.630 63.100 -0.561 0.000 0.795 481 P CB 0.102 31.491 31.700 -0.518 0.000 0.775 482 W N 0.000 120.875 121.300 -0.709 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.106 57.345 -0.399 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