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 1pjm_1_B DATA FIRST_RESID 71 DATA SEQUENCE QGTVNWSVED IVKGINSNNL ESQLQATQAA RKLLSREKQP PIDNIIRAGL DATA SEQUENCE IPKFVSFLGK TDCSPIQFES AWALTNIASG TSEQTKAVVD GGAIPAFISL DATA SEQUENCE LASPHAHISE QAVWALGNIA GDGSAFRDLV IKHGAIDPLL ALLAVPDLST DATA SEQUENCE LACGYLRNLT WTLSNLCRNK NPAPPLDAVE QILPTLVRLL HHNDPEVLAD DATA SEQUENCE SCWAISYLTD GPNERIEMVV KKGVVPQLVK LLGATELPIV TPALRAIGNI DATA SEQUENCE VTGTDEQTQK VIDAGALAVF PSLLTNPKTN IQKEATWTMS NITAGRQDQI DATA SEQUENCE QQVVNHGLVP FLVGVLSKAD FKTQKEAAWA ITNYTSGGTV EQIVYLVHCG DATA SEQUENCE IIEPLMNLLS AKDTKIIQVI LDAISNIFQA AEKLGETEKL SIMIEECGGL DATA SEQUENCE DKIEALQRHE NESVYKASLN LIEKYFS 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 71 Q HA 0.000 nan 4.340 nan 0.000 0.214 71 Q C 0.000 176.066 176.000 0.110 0.000 1.003 71 Q CA 0.000 55.838 55.803 0.059 0.000 1.022 71 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 72 G N 0.956 109.837 108.800 0.136 0.000 3.314 72 G HA2 0.076 4.037 3.960 0.000 0.000 0.238 72 G HA3 0.076 4.037 3.960 0.000 0.000 0.238 72 G C 0.741 175.923 174.900 0.470 0.000 1.184 72 G CA 1.099 46.359 45.100 0.266 0.000 0.806 72 G HN 0.324 nan 8.290 nan 0.000 0.536 73 T N -3.214 111.459 114.554 0.198 0.000 3.262 73 T HA 0.364 4.714 4.350 0.000 0.000 0.300 73 T C -0.075 174.553 174.700 -0.121 0.000 0.959 73 T CA -0.233 61.765 62.100 -0.170 0.000 0.936 73 T CB 0.769 69.468 68.868 -0.282 0.000 1.169 73 T HN -0.127 nan 8.240 nan 0.000 0.532 74 V N 3.022 123.006 119.914 0.118 0.000 2.394 74 V HA 0.484 4.605 4.120 0.000 0.000 0.282 74 V C 0.625 176.834 176.094 0.192 0.000 1.031 74 V CA -0.476 61.879 62.300 0.091 0.000 0.881 74 V CB 0.671 32.531 31.823 0.061 0.000 0.982 74 V HN 0.741 nan 8.190 nan 0.000 0.451 75 N N 3.590 122.367 118.700 0.127 0.000 2.738 75 N HA -0.193 4.547 4.740 0.000 0.000 0.249 75 N C -0.755 174.899 175.510 0.240 0.000 1.047 75 N CA 0.414 53.545 53.050 0.135 0.000 0.707 75 N CB -0.624 37.913 38.487 0.083 0.000 0.937 75 N HN 0.612 nan 8.380 nan 0.000 0.545 76 W N 0.669 121.952 121.300 -0.029 0.000 2.161 76 W HA 0.382 5.043 4.660 0.000 0.000 0.344 76 W C 1.067 177.576 176.519 -0.016 0.000 1.262 76 W CA -0.230 57.102 57.345 -0.021 0.000 1.270 76 W CB 0.333 29.781 29.460 -0.020 0.000 1.126 76 W HN 0.272 nan 8.180 nan 0.000 0.598 77 S N -0.096 115.721 115.700 0.195 0.000 2.616 77 S HA 0.301 4.771 4.470 0.000 0.000 0.277 77 S C 0.524 175.211 174.600 0.146 0.000 1.234 77 S CA -0.841 57.425 58.200 0.110 0.000 1.028 77 S CB 1.435 64.654 63.200 0.032 0.000 0.988 77 S HN 0.293 nan 8.310 nan 0.000 0.522 78 V N 2.336 122.312 119.914 0.102 0.000 2.380 78 V HA -0.260 3.861 4.120 0.000 0.000 0.251 78 V C 2.777 178.927 176.094 0.094 0.000 1.063 78 V CA 2.479 64.837 62.300 0.098 0.000 1.055 78 V CB -1.445 30.413 31.823 0.058 0.000 0.657 78 V HN 1.054 nan 8.190 nan 0.000 0.455 79 E N -0.155 120.082 120.200 0.062 0.000 2.106 79 E HA -0.248 4.103 4.350 0.000 0.000 0.192 79 E C 1.620 178.254 176.600 0.056 0.000 0.984 79 E CA 1.541 57.966 56.400 0.041 0.000 0.806 79 E CB -0.406 29.301 29.700 0.011 0.000 0.750 79 E HN 0.531 nan 8.360 nan 0.000 0.458 80 D N 1.259 121.695 120.400 0.060 0.000 2.117 80 D HA -0.088 4.552 4.640 0.000 0.000 0.198 80 D C 2.139 178.610 176.300 0.286 0.000 0.982 80 D CA 0.934 54.949 54.000 0.026 0.000 0.828 80 D CB -0.145 40.520 40.800 -0.225 0.000 0.967 80 D HN 0.295 nan 8.370 nan 0.000 0.464 81 I N 0.612 121.435 120.570 0.420 0.000 2.226 81 I HA -0.234 3.936 4.170 0.000 0.000 0.245 81 I C 2.407 178.659 176.117 0.225 0.000 1.100 81 I CA 0.639 62.174 61.300 0.391 0.000 1.374 81 I CB -0.149 38.000 38.000 0.248 0.000 1.057 81 I HN -0.111 nan 8.210 nan 0.000 0.413 82 V N 0.489 120.485 119.914 0.138 0.000 2.407 82 V HA -0.247 3.873 4.120 0.000 0.000 0.248 82 V C 2.561 178.702 176.094 0.079 0.000 1.055 82 V CA 1.542 63.883 62.300 0.069 0.000 1.049 82 V CB -0.705 31.136 31.823 0.029 0.000 0.662 82 V HN 0.331 nan 8.190 nan 0.000 0.455 83 K N 0.796 121.250 120.400 0.089 0.000 2.009 83 K HA -0.134 4.187 4.320 0.000 0.000 0.210 83 K C 2.242 178.905 176.600 0.105 0.000 1.049 83 K CA 1.822 58.150 56.287 0.069 0.000 0.929 83 K CB -1.084 31.436 32.500 0.032 0.000 0.714 83 K HN 0.514 nan 8.250 nan 0.000 0.440 84 G N 0.854 109.767 108.800 0.188 0.000 2.408 84 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 84 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 84 G C 1.726 176.725 174.900 0.165 0.000 1.150 84 G CA 0.527 45.755 45.100 0.213 0.000 0.776 84 G HN 0.268 nan 8.290 nan 0.000 0.542 85 I N 0.522 121.197 120.570 0.174 0.000 2.394 85 I HA -0.107 4.063 4.170 0.000 0.000 0.251 85 I C 2.183 178.395 176.117 0.158 0.000 1.136 85 I CA 0.808 62.229 61.300 0.202 0.000 1.425 85 I CB -0.137 37.972 38.000 0.181 0.000 1.079 85 I HN 0.210 nan 8.210 nan 0.000 0.425 86 N N 0.120 118.876 118.700 0.094 0.000 2.412 86 N HA -0.023 4.718 4.740 0.000 0.000 0.184 86 N C 0.772 176.319 175.510 0.062 0.000 1.101 86 N CA -0.055 53.031 53.050 0.060 0.000 0.881 86 N CB 0.284 38.788 38.487 0.028 0.000 0.969 86 N HN 0.272 nan 8.380 nan 0.000 0.459 87 S N 0.439 116.183 115.700 0.074 0.000 2.596 87 S HA 0.105 4.575 4.470 0.000 0.000 0.260 87 S C 0.579 175.214 174.600 0.058 0.000 1.336 87 S CA -0.319 57.916 58.200 0.058 0.000 0.993 87 S CB 0.669 63.905 63.200 0.061 0.000 0.923 87 S HN 0.073 nan 8.310 nan 0.000 0.567 88 N N 1.163 119.888 118.700 0.043 0.000 2.295 88 N HA 0.205 4.945 4.740 0.000 0.000 0.221 88 N C -0.737 174.793 175.510 0.034 0.000 1.129 88 N CA -0.016 53.058 53.050 0.039 0.000 0.836 88 N CB -0.258 38.246 38.487 0.028 0.000 1.040 88 N HN 0.552 nan 8.380 nan 0.000 0.494 89 N N 1.169 119.889 118.700 0.033 0.000 2.476 89 N HA 0.083 4.823 4.740 0.000 0.000 0.257 89 N C 0.685 176.195 175.510 0.002 0.000 0.970 89 N CA -0.343 52.718 53.050 0.019 0.000 0.938 89 N CB 1.197 39.697 38.487 0.022 0.000 1.144 89 N HN -0.024 nan 8.380 nan 0.000 0.500 90 L N 3.944 125.157 121.223 -0.016 0.000 2.043 90 L HA -0.092 4.249 4.340 0.000 0.000 0.212 90 L C 1.840 178.656 176.870 -0.090 0.000 1.075 90 L CA 1.907 56.709 54.840 -0.065 0.000 0.752 90 L CB -0.149 41.878 42.059 -0.054 0.000 0.891 90 L HN 0.560 nan 8.230 nan 0.000 0.432 91 E N -0.691 119.480 120.200 -0.048 0.000 2.106 91 E HA -0.133 4.217 4.350 0.000 0.000 0.192 91 E C 2.285 178.868 176.600 -0.028 0.000 0.984 91 E CA 1.298 57.673 56.400 -0.042 0.000 0.806 91 E CB -0.244 29.446 29.700 -0.016 0.000 0.750 91 E HN 0.517 nan 8.360 nan 0.000 0.458 92 S N 1.213 116.913 115.700 0.001 0.000 2.383 92 S HA -0.144 4.327 4.470 0.000 0.000 0.227 92 S C 1.930 176.548 174.600 0.031 0.000 1.026 92 S CA 0.917 59.145 58.200 0.046 0.000 0.981 92 S CB -0.078 63.160 63.200 0.064 0.000 0.818 92 S HN 0.321 nan 8.310 nan 0.000 0.472 93 Q N 0.266 120.048 119.800 -0.030 0.000 2.119 93 Q HA -0.032 4.309 4.340 0.000 0.000 0.201 93 Q C 2.210 178.094 176.000 -0.194 0.000 0.972 93 Q CA 0.890 56.645 55.803 -0.080 0.000 0.847 93 Q CB -0.312 28.315 28.738 -0.185 0.000 0.903 93 Q HN 0.358 nan 8.270 nan 0.000 0.433 94 L N 0.939 122.030 121.223 -0.221 0.000 2.017 94 L HA -0.210 4.130 4.340 0.000 0.000 0.208 94 L C 2.127 178.891 176.870 -0.178 0.000 1.073 94 L CA 1.834 56.544 54.840 -0.217 0.000 0.745 94 L CB -0.497 41.465 42.059 -0.162 0.000 0.894 94 L HN 0.116 nan 8.230 nan 0.000 0.432 95 Q N -0.027 119.693 119.800 -0.134 0.000 2.050 95 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 95 Q C 2.348 178.096 176.000 -0.420 0.000 0.980 95 Q CA 1.853 57.546 55.803 -0.184 0.000 0.840 95 Q CB -0.893 27.837 28.738 -0.013 0.000 0.898 95 Q HN 0.666 nan 8.270 nan 0.000 0.424 96 A N 0.436 123.090 122.820 -0.277 0.000 1.933 96 A HA -0.151 4.170 4.320 0.000 0.000 0.218 96 A C 2.346 179.773 177.584 -0.263 0.000 1.175 96 A CA 1.996 53.829 52.037 -0.341 0.000 0.628 96 A CB -0.789 18.267 19.000 0.095 0.000 0.814 96 A HN 0.401 nan 8.150 nan 0.000 0.444 97 T N -0.575 113.905 114.554 -0.123 0.000 2.821 97 T HA -0.163 4.187 4.350 0.000 0.000 0.267 97 T C 2.059 176.593 174.700 -0.276 0.000 1.046 97 T CA 1.553 63.617 62.100 -0.060 0.000 1.139 97 T CB -0.207 68.661 68.868 0.001 0.000 0.871 97 T HN 0.679 nan 8.240 nan 0.000 0.454 98 Q N 0.622 120.222 119.800 -0.333 0.000 2.124 98 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 98 Q C 2.440 178.149 176.000 -0.486 0.000 0.977 98 Q CA 1.359 56.929 55.803 -0.388 0.000 0.850 98 Q CB -0.270 28.283 28.738 -0.308 0.000 0.901 98 Q HN 0.536 nan 8.270 nan 0.000 0.429 99 A N 0.775 123.216 122.820 -0.631 0.000 1.902 99 A HA -0.108 4.212 4.320 0.000 0.000 0.217 99 A C 2.301 179.625 177.584 -0.434 0.000 1.181 99 A CA 1.610 53.197 52.037 -0.750 0.000 0.623 99 A CB -1.021 17.040 19.000 -1.565 0.000 0.818 99 A HN 0.560 nan 8.150 nan 0.000 0.443 100 A N -0.149 122.480 122.820 -0.318 0.000 1.908 100 A HA -0.210 4.111 4.320 0.000 0.000 0.218 100 A C 2.297 179.707 177.584 -0.291 0.000 1.181 100 A CA 1.829 53.772 52.037 -0.157 0.000 0.627 100 A CB -0.566 18.465 19.000 0.052 0.000 0.818 100 A HN 0.551 nan 8.150 nan 0.000 0.445 101 R N 0.075 120.301 120.500 -0.456 0.000 2.081 101 R HA -0.146 4.194 4.340 0.000 0.000 0.235 101 R C 1.944 177.842 176.300 -0.671 0.000 1.131 101 R CA 1.901 57.603 56.100 -0.663 0.000 0.960 101 R CB -0.312 29.473 30.300 -0.858 0.000 0.856 101 R HN 0.539 nan 8.270 nan 0.000 0.436 102 K N 0.523 120.598 120.400 -0.542 0.000 2.148 102 K HA -0.091 4.229 4.320 0.000 0.000 0.204 102 K C 2.199 178.638 176.600 -0.268 0.000 1.050 102 K CA 0.971 57.008 56.287 -0.418 0.000 0.942 102 K CB -0.130 32.176 32.500 -0.324 0.000 0.724 102 K HN 0.230 nan 8.250 nan 0.000 0.446 103 L N 1.010 122.100 121.223 -0.221 0.000 2.017 103 L HA -0.161 4.180 4.340 0.000 0.000 0.208 103 L C 1.925 178.725 176.870 -0.117 0.000 1.073 103 L CA 1.256 56.024 54.840 -0.120 0.000 0.745 103 L CB -0.100 41.917 42.059 -0.071 0.000 0.894 103 L HN 0.212 nan 8.230 nan 0.000 0.432 104 L N -1.381 119.741 121.223 -0.168 0.000 2.622 104 L HA -0.060 4.281 4.340 0.000 0.000 0.233 104 L C 1.633 178.429 176.870 -0.123 0.000 1.156 104 L CA 0.172 54.932 54.840 -0.133 0.000 0.866 104 L CB -0.118 41.846 42.059 -0.157 0.000 0.980 104 L HN 0.112 nan 8.230 nan 0.000 0.448 105 S N -0.833 114.767 115.700 -0.165 0.000 2.578 105 S HA 0.117 4.588 4.470 0.000 0.000 0.231 105 S C 0.589 175.169 174.600 -0.033 0.000 0.994 105 S CA -0.555 57.596 58.200 -0.082 0.000 0.956 105 S CB 0.054 63.153 63.200 -0.169 0.000 0.870 105 S HN 0.411 nan 8.310 nan 0.000 0.494 106 R N 1.480 121.953 120.500 -0.045 0.000 2.389 106 R HA 0.315 4.656 4.340 0.000 0.000 0.295 106 R C 0.849 177.150 176.300 0.003 0.000 1.075 106 R CA -0.189 55.900 56.100 -0.019 0.000 1.005 106 R CB 0.436 30.722 30.300 -0.022 0.000 0.987 106 R HN -0.134 nan 8.270 nan 0.000 0.452 107 E N 1.862 122.069 120.200 0.012 0.000 2.430 107 E HA -0.291 4.059 4.350 0.000 0.000 0.243 107 E C -0.394 176.217 176.600 0.018 0.000 1.111 107 E CA 2.592 59.003 56.400 0.019 0.000 1.097 107 E CB 0.136 29.846 29.700 0.017 0.000 0.941 107 E HN 0.763 nan 8.360 nan 0.000 0.473 108 K N -1.506 118.903 120.400 0.014 0.000 2.551 108 K HA 0.323 4.643 4.320 0.000 0.000 0.269 108 K C -0.841 175.766 176.600 0.012 0.000 0.949 108 K CA -0.460 55.835 56.287 0.014 0.000 0.849 108 K CB 1.126 33.635 32.500 0.015 0.000 1.411 108 K HN 0.077 nan 8.250 nan 0.000 0.432 109 Q N 0.070 119.878 119.800 0.014 0.000 2.464 109 Q HA -0.115 4.225 4.340 0.000 0.000 0.304 109 Q C -2.178 173.829 176.000 0.010 0.000 1.401 109 Q CA 0.447 56.258 55.803 0.013 0.000 0.806 109 Q CB -1.522 27.224 28.738 0.012 0.000 1.134 109 Q HN 0.558 nan 8.270 nan 0.000 0.411 110 P HA 0.029 nan 4.420 nan 0.000 0.268 110 P C -2.251 175.054 177.300 0.008 0.000 1.204 110 P CA -0.929 62.171 63.100 0.001 0.000 0.768 110 P CB 0.408 32.104 31.700 -0.007 0.000 0.842 111 P HA 0.095 nan 4.420 nan 0.000 0.237 111 P C 1.211 178.525 177.300 0.024 0.000 1.701 111 P CA 0.016 63.127 63.100 0.018 0.000 0.955 111 P CB -0.508 31.204 31.700 0.021 0.000 1.937 112 I N 0.009 120.594 120.570 0.025 0.000 2.208 112 I HA -0.234 3.937 4.170 0.000 0.000 0.245 112 I C 1.881 178.020 176.117 0.036 0.000 1.097 112 I CA 1.464 62.784 61.300 0.034 0.000 1.363 112 I CB -0.471 37.549 38.000 0.033 0.000 1.051 112 I HN 0.087 nan 8.210 nan 0.000 0.413 113 D N 0.793 121.210 120.400 0.028 0.000 2.144 113 D HA -0.137 4.503 4.640 0.000 0.000 0.200 113 D C 1.930 178.242 176.300 0.020 0.000 0.978 113 D CA 0.991 55.006 54.000 0.024 0.000 0.833 113 D CB -0.432 40.380 40.800 0.020 0.000 0.961 113 D HN 0.348 nan 8.370 nan 0.000 0.470 114 N N 0.930 119.643 118.700 0.021 0.000 2.104 114 N HA -0.118 4.622 4.740 0.000 0.000 0.190 114 N C 1.931 177.453 175.510 0.020 0.000 1.024 114 N CA 0.577 53.638 53.050 0.019 0.000 0.853 114 N CB -0.082 38.419 38.487 0.023 0.000 1.008 114 N HN 0.193 nan 8.380 nan 0.000 0.424 115 I N 1.675 122.266 120.570 0.034 0.000 2.226 115 I HA -0.183 3.988 4.170 0.000 0.000 0.245 115 I C 2.310 178.434 176.117 0.011 0.000 1.100 115 I CA 0.831 62.158 61.300 0.045 0.000 1.374 115 I CB -0.945 37.117 38.000 0.103 0.000 1.057 115 I HN 0.079 nan 8.210 nan 0.000 0.413 116 I N 0.414 120.995 120.570 0.019 0.000 2.202 116 I HA -0.264 3.906 4.170 0.000 0.000 0.242 116 I C 2.721 178.827 176.117 -0.018 0.000 1.091 116 I CA 1.122 62.423 61.300 0.001 0.000 1.368 116 I CB -0.405 37.605 38.000 0.017 0.000 1.058 116 I HN 0.176 nan 8.210 nan 0.000 0.410 117 R N 0.955 121.449 120.500 -0.009 0.000 2.120 117 R HA -0.102 4.238 4.340 0.000 0.000 0.234 117 R C 2.256 178.540 176.300 -0.028 0.000 1.123 117 R CA 1.345 57.436 56.100 -0.014 0.000 0.975 117 R CB -0.467 29.829 30.300 -0.005 0.000 0.866 117 R HN 0.341 nan 8.270 nan 0.000 0.446 118 A N 0.596 123.397 122.820 -0.032 0.000 2.216 118 A HA 0.061 4.382 4.320 0.000 0.000 0.214 118 A C 1.456 178.991 177.584 -0.081 0.000 1.160 118 A CA 0.971 52.981 52.037 -0.046 0.000 0.725 118 A CB -0.487 18.490 19.000 -0.037 0.000 0.784 118 A HN 0.494 nan 8.150 nan 0.000 0.472 119 G N -1.246 107.498 108.800 -0.092 0.000 2.221 119 G HA2 -0.264 3.696 3.960 0.000 0.000 0.265 119 G HA3 -0.264 3.696 3.960 0.000 0.000 0.265 119 G C 0.600 175.372 174.900 -0.214 0.000 1.041 119 G CA 0.505 45.532 45.100 -0.123 0.000 0.807 119 G HN 0.484 nan 8.290 nan 0.000 0.502 120 L N -0.527 120.521 121.223 -0.293 0.000 2.341 120 L HA 0.192 4.532 4.340 0.000 0.000 0.214 120 L C 2.936 179.334 176.870 -0.786 0.000 1.115 120 L CA 0.485 54.962 54.840 -0.605 0.000 0.820 120 L CB -0.303 41.309 42.059 -0.744 0.000 0.944 120 L HN 0.404 nan 8.230 nan 0.000 0.452 121 I N 0.644 120.987 120.570 -0.379 0.000 2.151 121 I HA -0.249 3.922 4.170 0.000 0.000 0.243 121 I C -0.286 175.715 176.117 -0.192 0.000 1.080 121 I CA 1.737 62.938 61.300 -0.165 0.000 1.339 121 I CB -1.396 36.582 38.000 -0.037 0.000 1.039 121 I HN 0.226 nan 8.210 nan 0.000 0.409 122 P HA -0.158 nan 4.420 nan 0.000 0.217 122 P C 1.352 178.467 177.300 -0.309 0.000 1.150 122 P CA 1.273 64.249 63.100 -0.206 0.000 0.832 122 P CB -0.038 31.558 31.700 -0.172 0.000 0.787 123 K N -1.191 118.939 120.400 -0.451 0.000 2.025 123 K HA -0.070 4.250 4.320 0.000 0.000 0.207 123 K C 1.991 178.076 176.600 -0.857 0.000 1.049 123 K CA 1.319 57.188 56.287 -0.697 0.000 0.933 123 K CB -1.249 30.847 32.500 -0.675 0.000 0.714 123 K HN 0.166 nan 8.250 nan 0.000 0.438 124 F N 1.524 121.194 119.950 -0.467 0.000 2.095 124 F HA -0.151 4.376 4.527 0.000 0.000 0.298 124 F C 2.566 178.215 175.800 -0.253 0.000 1.104 124 F CA 0.381 58.221 58.000 -0.266 0.000 1.232 124 F CB -1.422 37.518 39.000 -0.100 0.000 0.987 124 F HN -0.273 nan 8.300 nan 0.000 0.475 125 V N 0.267 120.144 119.914 -0.063 0.000 2.392 125 V HA -0.298 3.823 4.120 0.000 0.000 0.249 125 V C 2.490 178.493 176.094 -0.152 0.000 1.059 125 V CA 2.106 64.318 62.300 -0.146 0.000 1.051 125 V CB -1.186 30.551 31.823 -0.144 0.000 0.658 125 V HN 0.519 nan 8.190 nan 0.000 0.455 126 S N -0.394 115.181 115.700 -0.209 0.000 2.406 126 S HA -0.112 4.358 4.470 0.000 0.000 0.228 126 S C 1.844 176.445 174.600 0.001 0.000 1.020 126 S CA 1.053 59.163 58.200 -0.150 0.000 0.965 126 S CB -0.571 62.502 63.200 -0.212 0.000 0.798 126 S HN 0.428 nan 8.310 nan 0.000 0.488 127 F N 2.062 122.017 119.950 0.008 0.000 2.365 127 F HA 0.277 4.804 4.527 0.000 0.000 0.300 127 F C 1.994 177.785 175.800 -0.015 0.000 1.090 127 F CA -0.523 57.486 58.000 0.014 0.000 1.408 127 F CB -0.966 38.067 39.000 0.054 0.000 1.060 127 F HN 0.198 nan 8.300 nan 0.000 0.534 128 L N -0.701 120.586 121.223 0.107 0.000 2.131 128 L HA -0.132 4.208 4.340 0.000 0.000 0.210 128 L C 2.349 179.228 176.870 0.015 0.000 1.092 128 L CA 1.387 56.223 54.840 -0.007 0.000 0.759 128 L CB -1.074 40.859 42.059 -0.210 0.000 0.903 128 L HN 0.216 nan 8.230 nan 0.000 0.435 129 G N -0.469 108.347 108.800 0.027 0.000 3.181 129 G HA2 -0.015 3.945 3.960 0.000 0.000 0.219 129 G HA3 -0.015 3.945 3.960 0.000 0.000 0.219 129 G C 0.588 175.523 174.900 0.058 0.000 1.182 129 G CA -0.273 44.845 45.100 0.031 0.000 0.791 129 G HN 0.189 nan 8.290 nan 0.000 0.537 130 K N 1.362 121.812 120.400 0.083 0.000 2.265 130 K HA 0.179 4.500 4.320 0.000 0.000 0.242 130 K C 1.080 177.713 176.600 0.055 0.000 1.137 130 K CA -0.225 56.107 56.287 0.075 0.000 1.082 130 K CB 0.562 33.117 32.500 0.090 0.000 1.731 130 K HN 0.029 nan 8.250 nan 0.000 0.392 131 T N 0.849 115.435 114.554 0.053 0.000 2.737 131 T HA -0.201 4.150 4.350 0.000 0.000 0.269 131 T C 1.474 176.206 174.700 0.054 0.000 1.040 131 T CA 1.818 63.953 62.100 0.059 0.000 1.142 131 T CB -0.168 68.734 68.868 0.056 0.000 0.861 131 T HN 0.620 nan 8.240 nan 0.000 0.456 132 D N 0.217 120.641 120.400 0.041 0.000 2.221 132 D HA -0.092 4.548 4.640 0.000 0.000 0.204 132 D C 1.091 177.402 176.300 0.018 0.000 0.982 132 D CA 0.590 54.609 54.000 0.032 0.000 0.857 132 D CB -0.509 40.307 40.800 0.025 0.000 0.934 132 D HN 0.434 nan 8.370 nan 0.000 0.475 133 C N 2.269 121.573 119.300 0.008 0.000 3.169 133 C HA 0.370 4.830 4.460 0.000 0.000 0.232 133 C C 2.008 176.984 174.990 -0.024 0.000 1.316 133 C CA -0.097 58.909 59.018 -0.019 0.000 1.545 133 C CB -1.167 26.546 27.740 -0.046 0.000 1.785 133 C HN 0.347 nan 8.230 nan 0.000 0.454 134 S N 2.734 118.410 115.700 -0.040 0.000 2.402 134 S HA -0.102 4.368 4.470 0.000 0.000 0.233 134 S C -0.874 173.696 174.600 -0.050 0.000 1.030 134 S CA 1.671 59.819 58.200 -0.087 0.000 1.003 134 S CB -1.124 61.888 63.200 -0.314 0.000 0.813 134 S HN 0.626 nan 8.310 nan 0.000 0.477 135 P HA 0.062 nan 4.420 nan 0.000 0.217 135 P C 1.571 178.913 177.300 0.069 0.000 1.150 135 P CA 0.734 63.867 63.100 0.055 0.000 0.832 135 P CB -0.084 31.623 31.700 0.013 0.000 0.787 136 I N -0.969 119.587 120.570 -0.023 0.000 2.546 136 I HA -0.216 3.955 4.170 0.000 0.000 0.255 136 I C 2.057 178.187 176.117 0.021 0.000 1.163 136 I CA 1.174 62.425 61.300 -0.081 0.000 1.457 136 I CB -0.077 37.766 38.000 -0.262 0.000 1.092 136 I HN -0.042 nan 8.210 nan 0.000 0.434 137 Q N -0.201 119.637 119.800 0.063 0.000 2.079 137 Q HA -0.242 4.098 4.340 0.000 0.000 0.200 137 Q C 2.113 178.200 176.000 0.145 0.000 0.974 137 Q CA 1.849 57.712 55.803 0.099 0.000 0.840 137 Q CB -0.230 28.556 28.738 0.080 0.000 0.898 137 Q HN 0.494 nan 8.270 nan 0.000 0.430 138 F N 2.035 121.983 119.950 -0.003 0.000 2.113 138 F HA -0.170 4.357 4.527 0.000 0.000 0.297 138 F C 2.051 177.908 175.800 0.095 0.000 1.103 138 F CA 1.328 59.349 58.000 0.035 0.000 1.248 138 F CB -0.060 38.972 39.000 0.052 0.000 0.999 138 F HN -0.036 nan 8.300 nan 0.000 0.475 139 E N 0.437 120.572 120.200 -0.108 0.000 2.031 139 E HA -0.191 4.159 4.350 0.000 0.000 0.193 139 E C 2.468 178.886 176.600 -0.304 0.000 0.994 139 E CA 1.754 57.983 56.400 -0.286 0.000 0.800 139 E CB -0.996 28.579 29.700 -0.208 0.000 0.752 139 E HN 0.533 nan 8.360 nan 0.000 0.447 140 S N 1.084 116.677 115.700 -0.179 0.000 2.399 140 S HA -0.043 4.427 4.470 0.000 0.000 0.231 140 S C 2.218 176.723 174.600 -0.157 0.000 1.022 140 S CA 1.093 59.146 58.200 -0.245 0.000 0.983 140 S CB -0.223 63.032 63.200 0.092 0.000 0.803 140 S HN 0.281 nan 8.310 nan 0.000 0.480 141 A N 1.315 124.131 122.820 -0.006 0.000 1.898 141 A HA -0.030 4.291 4.320 0.000 0.000 0.216 141 A C 1.906 179.542 177.584 0.085 0.000 1.181 141 A CA 1.271 53.435 52.037 0.211 0.000 0.620 141 A CB -1.186 17.989 19.000 0.292 0.000 0.819 141 A HN 0.751 nan 8.150 nan 0.000 0.442 142 W N 0.867 121.942 121.300 -0.375 0.000 2.381 142 W HA -0.034 4.626 4.660 0.000 0.000 0.301 142 W C 2.410 178.678 176.519 -0.420 0.000 1.205 142 W CA 1.410 58.458 57.345 -0.496 0.000 1.285 142 W CB -0.731 28.311 29.460 -0.696 0.000 1.133 142 W HN 0.391 nan 8.180 nan 0.000 0.521 143 A N 0.664 123.338 122.820 -0.243 0.000 1.877 143 A HA -0.190 4.130 4.320 0.000 0.000 0.216 143 A C 2.297 179.763 177.584 -0.198 0.000 1.186 143 A CA 1.930 53.735 52.037 -0.387 0.000 0.620 143 A CB -1.157 17.333 19.000 -0.850 0.000 0.822 143 A HN 0.294 nan 8.150 nan 0.000 0.443 144 L N -0.715 120.440 121.223 -0.114 0.000 2.131 144 L HA -0.156 4.184 4.340 0.000 0.000 0.210 144 L C 2.777 179.689 176.870 0.070 0.000 1.092 144 L CA 1.641 56.532 54.840 0.087 0.000 0.759 144 L CB -0.757 41.467 42.059 0.274 0.000 0.903 144 L HN 0.370 nan 8.230 nan 0.000 0.435 145 T N -0.471 114.072 114.554 -0.017 0.000 2.708 145 T HA -0.156 4.195 4.350 0.000 0.000 0.266 145 T C 1.648 176.273 174.700 -0.126 0.000 1.037 145 T CA 1.610 63.608 62.100 -0.171 0.000 1.146 145 T CB -0.229 68.374 68.868 -0.441 0.000 0.865 145 T HN 0.288 nan 8.240 nan 0.000 0.435 146 N N 0.821 119.464 118.700 -0.094 0.000 2.244 146 N HA 0.100 4.840 4.740 0.000 0.000 0.183 146 N C 1.756 177.264 175.510 -0.003 0.000 1.016 146 N CA 0.623 53.645 53.050 -0.046 0.000 0.866 146 N CB -0.362 38.108 38.487 -0.029 0.000 0.980 146 N HN 0.395 nan 8.380 nan 0.000 0.430 147 I N 0.439 121.015 120.570 0.009 0.000 2.252 147 I HA -0.171 4.000 4.170 0.000 0.000 0.245 147 I C 2.038 178.182 176.117 0.046 0.000 1.102 147 I CA 0.853 62.177 61.300 0.039 0.000 1.385 147 I CB -0.251 37.791 38.000 0.070 0.000 1.064 147 I HN 0.062 nan 8.210 nan 0.000 0.414 148 A N 0.468 123.313 122.820 0.042 0.000 2.125 148 A HA -0.165 4.155 4.320 0.000 0.000 0.219 148 A C 2.332 179.959 177.584 0.071 0.000 1.156 148 A CA 1.726 53.789 52.037 0.044 0.000 0.671 148 A CB -0.652 18.362 19.000 0.024 0.000 0.794 148 A HN 0.535 nan 8.150 nan 0.000 0.459 149 S N -0.876 114.867 115.700 0.072 0.000 2.562 149 S HA 0.297 4.767 4.470 0.000 0.000 0.221 149 S C 1.269 175.922 174.600 0.088 0.000 0.975 149 S CA 0.421 58.685 58.200 0.106 0.000 0.918 149 S CB -0.444 62.819 63.200 0.105 0.000 0.772 149 S HN 0.592 nan 8.310 nan 0.000 0.531 150 G N 1.935 110.778 108.800 0.070 0.000 2.735 150 G HA2 0.397 4.358 3.960 0.000 0.000 0.192 150 G HA3 0.397 4.358 3.960 0.000 0.000 0.192 150 G C 0.347 175.288 174.900 0.068 0.000 1.547 150 G CA 0.154 45.291 45.100 0.062 0.000 1.080 150 G HN 0.555 nan 8.290 nan 0.000 0.569 151 T N -2.564 112.026 114.554 0.060 0.000 2.726 151 T HA 0.263 4.614 4.350 0.000 0.000 0.294 151 T C 1.542 176.292 174.700 0.084 0.000 1.013 151 T CA 0.482 62.619 62.100 0.061 0.000 0.996 151 T CB 1.046 69.943 68.868 0.048 0.000 1.016 151 T HN 0.189 nan 8.240 nan 0.000 0.529 152 S N 0.035 115.785 115.700 0.084 0.000 2.383 152 S HA -0.112 4.358 4.470 0.000 0.000 0.229 152 S C 1.961 176.649 174.600 0.148 0.000 1.030 152 S CA 1.428 59.703 58.200 0.125 0.000 1.002 152 S CB -0.582 62.659 63.200 0.068 0.000 0.829 152 S HN 0.869 nan 8.310 nan 0.000 0.467 153 E N 1.603 121.860 120.200 0.095 0.000 2.051 153 E HA -0.140 4.210 4.350 0.000 0.000 0.192 153 E C 2.153 178.807 176.600 0.090 0.000 0.991 153 E CA 1.401 57.854 56.400 0.088 0.000 0.799 153 E CB -0.254 29.480 29.700 0.056 0.000 0.748 153 E HN 0.558 nan 8.360 nan 0.000 0.449 154 Q N -0.854 118.991 119.800 0.076 0.000 2.124 154 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 154 Q C 2.152 178.192 176.000 0.068 0.000 0.977 154 Q CA 1.859 57.701 55.803 0.065 0.000 0.850 154 Q CB -0.125 28.648 28.738 0.058 0.000 0.901 154 Q HN 0.259 nan 8.270 nan 0.000 0.429 155 T N 1.081 115.689 114.554 0.091 0.000 2.821 155 T HA -0.142 4.208 4.350 0.000 0.000 0.267 155 T C 1.674 176.377 174.700 0.005 0.000 1.046 155 T CA 1.247 63.383 62.100 0.060 0.000 1.139 155 T CB -0.092 68.851 68.868 0.126 0.000 0.871 155 T HN 0.249 nan 8.240 nan 0.000 0.454 156 K N 1.289 121.787 120.400 0.163 0.000 2.057 156 K HA -0.057 4.264 4.320 0.000 0.000 0.207 156 K C 2.494 179.126 176.600 0.054 0.000 1.049 156 K CA 1.246 57.657 56.287 0.206 0.000 0.931 156 K CB -0.346 32.334 32.500 0.301 0.000 0.714 156 K HN 0.265 nan 8.250 nan 0.000 0.440 157 A N 0.701 123.551 122.820 0.050 0.000 1.908 157 A HA -0.140 4.180 4.320 0.000 0.000 0.218 157 A C 2.238 179.822 177.584 -0.001 0.000 1.181 157 A CA 1.868 53.920 52.037 0.025 0.000 0.627 157 A CB -0.697 18.322 19.000 0.031 0.000 0.818 157 A HN 0.192 nan 8.150 nan 0.000 0.445 158 V N -0.510 119.398 119.914 -0.010 0.000 2.307 158 V HA -0.219 3.901 4.120 0.000 0.000 0.245 158 V C 2.579 178.633 176.094 -0.066 0.000 1.045 158 V CA 1.936 64.232 62.300 -0.007 0.000 1.024 158 V CB -0.820 31.020 31.823 0.029 0.000 0.651 158 V HN 0.374 nan 8.190 nan 0.000 0.449 159 V N 0.379 120.185 119.914 -0.179 0.000 2.332 159 V HA -0.271 3.850 4.120 0.000 0.000 0.248 159 V C 2.198 178.226 176.094 -0.110 0.000 1.055 159 V CA 2.208 64.359 62.300 -0.249 0.000 1.038 159 V CB -0.778 30.681 31.823 -0.606 0.000 0.651 159 V HN 0.556 nan 8.190 nan 0.000 0.450 160 D N 0.722 121.092 120.400 -0.050 0.000 2.309 160 D HA -0.079 4.561 4.640 0.000 0.000 0.212 160 D C 2.046 178.333 176.300 -0.022 0.000 0.968 160 D CA 1.348 55.345 54.000 -0.005 0.000 0.882 160 D CB -0.367 40.446 40.800 0.022 0.000 0.918 160 D HN 0.521 nan 8.370 nan 0.000 0.503 161 G N -0.603 108.173 108.800 -0.039 0.000 2.920 161 G HA2 0.230 4.191 3.960 0.000 0.000 0.208 161 G HA3 0.230 4.191 3.960 0.000 0.000 0.208 161 G C 1.201 176.064 174.900 -0.062 0.000 1.159 161 G CA 0.378 45.448 45.100 -0.051 0.000 0.784 161 G HN 0.406 nan 8.290 nan 0.000 0.535 162 G N -0.932 107.833 108.800 -0.058 0.000 2.137 162 G HA2 -0.007 3.954 3.960 0.000 0.000 0.237 162 G HA3 -0.007 3.954 3.960 0.000 0.000 0.237 162 G C 1.187 176.029 174.900 -0.096 0.000 1.002 162 G CA 0.820 45.885 45.100 -0.059 0.000 0.702 162 G HN 1.089 nan 8.290 nan 0.000 0.515 163 A N -0.230 122.527 122.820 -0.106 0.000 1.969 163 A HA 0.265 4.585 4.320 0.000 0.000 0.218 163 A C 2.377 179.924 177.584 -0.060 0.000 1.169 163 A CA 1.648 53.600 52.037 -0.141 0.000 0.635 163 A CB -0.260 18.721 19.000 -0.032 0.000 0.810 163 A HN 0.744 nan 8.150 nan 0.000 0.445 164 I N 0.652 121.168 120.570 -0.090 0.000 2.091 164 I HA -0.204 3.966 4.170 0.000 0.000 0.239 164 I C -0.188 175.882 176.117 -0.079 0.000 1.061 164 I CA 1.945 63.167 61.300 -0.129 0.000 1.317 164 I CB -1.455 36.255 38.000 -0.483 0.000 1.031 164 I HN 0.264 nan 8.210 nan 0.000 0.401 165 P HA -0.175 nan 4.420 nan 0.000 0.217 165 P C 1.396 178.715 177.300 0.032 0.000 1.150 165 P CA 2.100 65.236 63.100 0.060 0.000 0.832 165 P CB -0.023 31.765 31.700 0.146 0.000 0.787 166 A N -0.716 122.077 122.820 -0.046 0.000 1.933 166 A HA -0.145 4.176 4.320 0.000 0.000 0.218 166 A C 2.037 179.566 177.584 -0.090 0.000 1.175 166 A CA 1.235 53.207 52.037 -0.109 0.000 0.628 166 A CB -1.650 17.210 19.000 -0.234 0.000 0.814 166 A HN 0.033 nan 8.150 nan 0.000 0.444 167 F N -0.155 119.798 119.950 0.006 0.000 2.259 167 F HA 0.026 4.553 4.527 0.000 0.000 0.298 167 F C 2.061 177.882 175.800 0.035 0.000 1.088 167 F CA 0.493 58.506 58.000 0.021 0.000 1.358 167 F CB -0.337 38.667 39.000 0.008 0.000 1.040 167 F HN 0.118 nan 8.300 nan 0.000 0.505 168 I N -1.289 119.407 120.570 0.210 0.000 2.394 168 I HA -0.265 3.905 4.170 0.000 0.000 0.251 168 I C 2.281 178.471 176.117 0.121 0.000 1.136 168 I CA 1.013 62.401 61.300 0.148 0.000 1.425 168 I CB -0.473 37.602 38.000 0.124 0.000 1.079 168 I HN -0.030 nan 8.210 nan 0.000 0.425 169 S N 0.716 116.478 115.700 0.102 0.000 2.402 169 S HA -0.037 4.433 4.470 0.000 0.000 0.229 169 S C 1.906 176.562 174.600 0.093 0.000 1.021 169 S CA 0.977 59.225 58.200 0.080 0.000 0.974 169 S CB -0.179 63.054 63.200 0.055 0.000 0.800 169 S HN 0.369 nan 8.310 nan 0.000 0.484 170 L N 1.159 122.455 121.223 0.123 0.000 2.465 170 L HA 0.047 4.388 4.340 0.000 0.000 0.224 170 L C 1.724 178.682 176.870 0.147 0.000 1.145 170 L CA 0.459 55.384 54.840 0.141 0.000 0.834 170 L CB -0.439 41.737 42.059 0.195 0.000 0.944 170 L HN 0.313 nan 8.230 nan 0.000 0.451 171 L N -0.342 120.968 121.223 0.144 0.000 2.275 171 L HA -0.142 4.198 4.340 0.000 0.000 0.215 171 L C 2.500 179.438 176.870 0.113 0.000 1.119 171 L CA 0.836 55.757 54.840 0.134 0.000 0.790 171 L CB -0.502 41.625 42.059 0.113 0.000 0.919 171 L HN 0.247 nan 8.230 nan 0.000 0.443 172 A N -1.119 121.757 122.820 0.093 0.000 2.218 172 A HA 0.023 4.343 4.320 0.000 0.000 0.209 172 A C 1.337 178.957 177.584 0.060 0.000 1.168 172 A CA 0.052 52.132 52.037 0.071 0.000 0.804 172 A CB -0.136 18.899 19.000 0.058 0.000 0.834 172 A HN 0.266 nan 8.150 nan 0.000 0.482 173 S N 0.396 116.141 115.700 0.074 0.000 2.558 173 S HA 0.146 4.616 4.470 0.000 0.000 0.287 173 S C -1.244 173.364 174.600 0.013 0.000 1.321 173 S CA -0.497 57.742 58.200 0.066 0.000 1.048 173 S CB 0.610 63.870 63.200 0.100 0.000 0.844 173 S HN 0.236 nan 8.310 nan 0.000 0.512 174 P HA 0.068 nan 4.420 nan 0.000 0.231 174 P C -0.411 176.715 177.300 -0.290 0.000 1.168 174 P CA 0.733 63.718 63.100 -0.191 0.000 0.779 174 P CB 0.049 31.582 31.700 -0.279 0.000 0.844 175 H N -0.216 118.835 119.070 -0.031 0.000 2.761 175 H HA 0.324 4.881 4.556 0.000 0.000 0.284 175 H C 1.322 176.590 175.328 -0.101 0.000 1.105 175 H CA -0.216 55.806 56.048 -0.043 0.000 1.352 175 H CB 1.055 30.765 29.762 -0.087 0.000 1.423 175 H HN -0.003 nan 8.280 nan 0.000 0.464 176 A N 4.282 127.083 122.820 -0.031 0.000 1.917 176 A HA -0.258 4.062 4.320 0.000 0.000 0.219 176 A C 2.136 179.633 177.584 -0.145 0.000 1.182 176 A CA 1.855 53.769 52.037 -0.205 0.000 0.633 176 A CB -0.724 18.054 19.000 -0.371 0.000 0.819 176 A HN 0.882 nan 8.150 nan 0.000 0.448 177 H N -0.871 118.104 119.070 -0.159 0.000 2.491 177 H HA 0.032 4.588 4.556 0.000 0.000 0.290 177 H C 1.828 177.144 175.328 -0.019 0.000 1.050 177 H CA 1.458 57.417 56.048 -0.150 0.000 1.309 177 H CB -0.566 28.987 29.762 -0.348 0.000 1.392 177 H HN 0.519 nan 8.280 nan 0.000 0.554 178 I N 1.409 121.653 120.570 -0.543 0.000 2.339 178 I HA -0.195 3.976 4.170 0.000 0.000 0.245 178 I C 2.786 178.951 176.117 0.081 0.000 1.096 178 I CA 1.113 62.298 61.300 -0.192 0.000 1.408 178 I CB -0.212 37.665 38.000 -0.205 0.000 1.092 178 I HN 0.327 nan 8.210 nan 0.000 0.423 179 S N 0.387 116.140 115.700 0.089 0.000 2.402 179 S HA -0.257 4.213 4.470 0.000 0.000 0.229 179 S C 1.893 176.653 174.600 0.266 0.000 1.021 179 S CA 1.499 59.809 58.200 0.183 0.000 0.974 179 S CB -0.422 62.891 63.200 0.188 0.000 0.800 179 S HN 0.547 nan 8.310 nan 0.000 0.484 180 E N 0.284 120.679 120.200 0.325 0.000 2.106 180 E HA -0.182 4.168 4.350 0.000 0.000 0.192 180 E C 2.232 179.015 176.600 0.304 0.000 0.984 180 E CA 1.003 57.652 56.400 0.415 0.000 0.806 180 E CB -0.182 29.798 29.700 0.465 0.000 0.750 180 E HN 0.409 nan 8.360 nan 0.000 0.458 181 Q N 0.062 120.017 119.800 0.260 0.000 2.167 181 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 181 Q C 2.009 178.066 176.000 0.096 0.000 0.970 181 Q CA 1.377 57.292 55.803 0.188 0.000 0.855 181 Q CB -0.233 28.632 28.738 0.212 0.000 0.911 181 Q HN 0.415 nan 8.270 nan 0.000 0.438 182 A N -0.198 122.716 122.820 0.156 0.000 1.898 182 A HA -0.104 4.216 4.320 0.000 0.000 0.216 182 A C 2.392 179.956 177.584 -0.033 0.000 1.181 182 A CA 1.368 53.456 52.037 0.085 0.000 0.620 182 A CB -0.612 18.566 19.000 0.296 0.000 0.819 182 A HN 0.205 nan 8.150 nan 0.000 0.442 183 V N -1.402 118.569 119.914 0.095 0.000 2.287 183 V HA -0.265 3.856 4.120 0.000 0.000 0.248 183 V C 2.287 178.471 176.094 0.149 0.000 1.053 183 V CA 1.952 64.305 62.300 0.089 0.000 1.027 183 V CB -0.878 30.995 31.823 0.084 0.000 0.646 183 V HN 0.855 nan 8.190 nan 0.000 0.447 184 W N 0.977 122.266 121.300 -0.019 0.000 2.355 184 W HA -0.202 4.458 4.660 0.001 0.000 0.309 184 W C 2.577 179.069 176.519 -0.045 0.000 1.206 184 W CA 2.283 59.646 57.345 0.031 0.000 1.284 184 W CB -0.824 28.596 29.460 -0.067 0.000 1.145 184 W HN 0.281 nan 8.180 nan 0.000 0.502 185 A N 0.542 123.334 122.820 -0.046 0.000 1.883 185 A HA -0.204 4.116 4.320 0.000 0.000 0.217 185 A C 2.302 179.727 177.584 -0.265 0.000 1.186 185 A CA 1.939 53.734 52.037 -0.403 0.000 0.624 185 A CB -1.196 16.926 19.000 -1.463 0.000 0.822 185 A HN 0.315 nan 8.150 nan 0.000 0.444 186 L N -0.697 120.374 121.223 -0.253 0.000 2.131 186 L HA -0.151 4.190 4.340 0.000 0.000 0.210 186 L C 2.785 179.623 176.870 -0.053 0.000 1.092 186 L CA 0.958 55.727 54.840 -0.117 0.000 0.759 186 L CB -0.769 41.253 42.059 -0.062 0.000 0.903 186 L HN 0.523 nan 8.230 nan 0.000 0.435 187 G N -0.128 108.689 108.800 0.028 0.000 2.421 187 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 187 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 187 G C 1.386 176.284 174.900 -0.004 0.000 1.171 187 G CA 0.626 45.673 45.100 -0.089 0.000 0.775 187 G HN 0.306 nan 8.290 nan 0.000 0.543 188 N N 0.674 119.533 118.700 0.266 0.000 2.166 188 N HA -0.043 4.698 4.740 0.000 0.000 0.186 188 N C 2.239 177.803 175.510 0.091 0.000 1.019 188 N CA 0.769 53.966 53.050 0.244 0.000 0.856 188 N CB -0.219 38.415 38.487 0.245 0.000 0.993 188 N HN 0.369 nan 8.380 nan 0.000 0.426 189 I N 0.829 121.407 120.570 0.014 0.000 2.202 189 I HA -0.203 3.967 4.170 0.000 0.000 0.242 189 I C 2.273 178.414 176.117 0.039 0.000 1.091 189 I CA 0.987 62.266 61.300 -0.035 0.000 1.368 189 I CB -0.275 37.650 38.000 -0.126 0.000 1.058 189 I HN 0.054 nan 8.210 nan 0.000 0.410 190 A N 0.849 123.665 122.820 -0.007 0.000 1.930 190 A HA -0.074 4.246 4.320 0.000 0.000 0.217 190 A C 2.394 179.956 177.584 -0.036 0.000 1.175 190 A CA 1.629 53.659 52.037 -0.011 0.000 0.627 190 A CB -1.344 17.607 19.000 -0.081 0.000 0.815 190 A HN 0.457 nan 8.150 nan 0.000 0.443 191 G N -0.312 108.438 108.800 -0.084 0.000 2.498 191 G HA2 -0.245 3.715 3.960 0.000 0.000 0.219 191 G HA3 -0.245 3.715 3.960 0.000 0.000 0.219 191 G C 1.127 176.017 174.900 -0.015 0.000 1.119 191 G CA 1.308 46.350 45.100 -0.097 0.000 0.766 191 G HN 0.609 nan 8.290 nan 0.000 0.552 192 D N -0.308 120.133 120.400 0.069 0.000 2.144 192 D HA 0.243 4.883 4.640 0.000 0.000 0.199 192 D C 1.280 177.595 176.300 0.026 0.000 0.984 192 D CA 1.590 55.653 54.000 0.104 0.000 0.834 192 D CB -0.029 40.942 40.800 0.284 0.000 0.955 192 D HN 0.443 nan 8.370 nan 0.000 0.465 193 G N -2.775 106.028 108.800 0.005 0.000 2.320 193 G HA2 0.149 4.109 3.960 0.000 0.000 0.297 193 G HA3 0.149 4.109 3.960 0.000 0.000 0.297 193 G C 0.444 175.310 174.900 -0.057 0.000 1.344 193 G CA 0.077 45.141 45.100 -0.060 0.000 0.851 193 G HN -0.090 nan 8.290 nan 0.000 0.567 194 S N -0.157 115.496 115.700 -0.078 0.000 2.368 194 S HA -0.161 4.310 4.470 0.000 0.000 0.226 194 S C 2.855 177.429 174.600 -0.043 0.000 1.044 194 S CA 2.824 60.989 58.200 -0.060 0.000 1.062 194 S CB -0.642 62.521 63.200 -0.062 0.000 0.931 194 S HN 1.435 nan 8.310 nan 0.000 0.440 195 A N 1.349 124.112 122.820 -0.095 0.000 1.851 195 A HA -0.076 4.244 4.320 0.000 0.000 0.216 195 A C 1.893 179.493 177.584 0.026 0.000 1.195 195 A CA 1.635 53.614 52.037 -0.098 0.000 0.622 195 A CB -0.976 17.878 19.000 -0.243 0.000 0.831 195 A HN 0.443 nan 8.150 nan 0.000 0.444 196 F N -0.130 119.818 119.950 -0.004 0.000 2.234 196 F HA -0.045 4.483 4.527 0.000 0.000 0.299 196 F C 2.364 178.160 175.800 -0.007 0.000 1.087 196 F CA 0.950 58.949 58.000 -0.001 0.000 1.340 196 F CB -0.705 38.291 39.000 -0.006 0.000 1.031 196 F HN 0.268 nan 8.300 nan 0.000 0.500 197 R N 0.657 121.251 120.500 0.157 0.000 2.080 197 R HA -0.169 4.171 4.340 0.000 0.000 0.236 197 R C 1.676 178.016 176.300 0.067 0.000 1.137 197 R CA 2.132 58.271 56.100 0.066 0.000 0.943 197 R CB -0.424 29.879 30.300 0.005 0.000 0.846 197 R HN 0.109 nan 8.270 nan 0.000 0.431 198 D N 0.608 121.047 120.400 0.065 0.000 2.219 198 D HA -0.136 4.504 4.640 0.000 0.000 0.205 198 D C 1.782 178.145 176.300 0.105 0.000 0.970 198 D CA 0.558 54.596 54.000 0.063 0.000 0.851 198 D CB -0.083 40.740 40.800 0.039 0.000 0.943 198 D HN 0.182 nan 8.370 nan 0.000 0.488 199 L N 0.466 121.783 121.223 0.157 0.000 2.072 199 L HA -0.085 4.255 4.340 0.000 0.000 0.205 199 L C 2.211 179.234 176.870 0.255 0.000 1.079 199 L CA 1.147 56.125 54.840 0.229 0.000 0.752 199 L CB -0.502 41.727 42.059 0.283 0.000 0.906 199 L HN -0.155 nan 8.230 nan 0.000 0.436 200 V N -0.017 119.986 119.914 0.148 0.000 2.332 200 V HA -0.336 3.785 4.120 0.000 0.000 0.248 200 V C 2.519 178.687 176.094 0.123 0.000 1.055 200 V CA 2.263 64.620 62.300 0.095 0.000 1.038 200 V CB -0.483 31.363 31.823 0.039 0.000 0.651 200 V HN 0.413 nan 8.190 nan 0.000 0.450 201 I N -0.656 119.972 120.570 0.096 0.000 2.226 201 I HA -0.245 3.926 4.170 0.000 0.000 0.245 201 I C 2.532 178.700 176.117 0.084 0.000 1.100 201 I CA 1.573 62.917 61.300 0.072 0.000 1.374 201 I CB -0.446 37.582 38.000 0.046 0.000 1.057 201 I HN 0.253 nan 8.210 nan 0.000 0.413 202 K N -0.099 120.361 120.400 0.099 0.000 2.209 202 K HA -0.182 4.139 4.320 0.000 0.000 0.204 202 K C 1.642 178.255 176.600 0.021 0.000 1.048 202 K CA 1.241 57.558 56.287 0.051 0.000 0.940 202 K CB -0.212 32.308 32.500 0.034 0.000 0.729 202 K HN 0.385 nan 8.250 nan 0.000 0.451 203 H N -0.743 118.348 119.070 0.035 0.000 2.553 203 H HA 0.075 4.631 4.556 0.000 0.000 0.269 203 H C 0.778 176.126 175.328 0.033 0.000 1.011 203 H CA 0.759 56.828 56.048 0.035 0.000 1.150 203 H CB 0.254 30.041 29.762 0.042 0.000 1.339 203 H HN 0.417 nan 8.280 nan 0.000 0.604 204 G N 0.035 108.901 108.800 0.111 0.000 2.182 204 G HA2 -0.297 3.663 3.960 0.000 0.000 0.248 204 G HA3 -0.297 3.663 3.960 0.000 0.000 0.248 204 G C 1.217 176.162 174.900 0.075 0.000 1.042 204 G CA 0.441 45.585 45.100 0.074 0.000 0.775 204 G HN 0.593 nan 8.290 nan 0.000 0.501 205 A N -0.400 122.468 122.820 0.080 0.000 1.968 205 A HA 0.290 4.610 4.320 0.000 0.000 0.217 205 A C 2.394 180.002 177.584 0.039 0.000 1.169 205 A CA 1.612 53.686 52.037 0.063 0.000 0.638 205 A CB -0.234 18.800 19.000 0.056 0.000 0.812 205 A HN 0.768 nan 8.150 nan 0.000 0.446 206 I N 0.235 120.823 120.570 0.031 0.000 2.118 206 I HA -0.310 3.861 4.170 0.000 0.000 0.241 206 I C 1.962 178.089 176.117 0.016 0.000 1.070 206 I CA 1.729 63.039 61.300 0.017 0.000 1.327 206 I CB -0.662 37.346 38.000 0.014 0.000 1.034 206 I HN 0.306 nan 8.210 nan 0.000 0.405 207 D N 0.832 121.245 120.400 0.022 0.000 2.092 207 D HA -0.148 4.492 4.640 0.000 0.000 0.193 207 D C -0.253 176.061 176.300 0.023 0.000 0.994 207 D CA 1.678 55.690 54.000 0.021 0.000 0.828 207 D CB -1.727 39.086 40.800 0.023 0.000 0.963 207 D HN 0.287 nan 8.370 nan 0.000 0.450 208 P HA -0.082 nan 4.420 nan 0.000 0.215 208 P C 1.916 179.235 177.300 0.031 0.000 1.153 208 P CA 0.757 63.881 63.100 0.040 0.000 0.853 208 P CB -0.038 31.695 31.700 0.054 0.000 0.788 209 L N -1.421 119.814 121.223 0.020 0.000 1.994 209 L HA -0.184 4.156 4.340 0.000 0.000 0.208 209 L C 2.491 179.351 176.870 -0.017 0.000 1.071 209 L CA 1.505 56.343 54.840 -0.004 0.000 0.745 209 L CB -1.114 40.937 42.059 -0.013 0.000 0.892 209 L HN -0.055 nan 8.230 nan 0.000 0.431 210 L N -0.492 120.726 121.223 -0.009 0.000 2.083 210 L HA -0.198 4.143 4.340 0.000 0.000 0.209 210 L C 2.857 179.724 176.870 -0.005 0.000 1.083 210 L CA 1.037 55.870 54.840 -0.012 0.000 0.752 210 L CB -0.827 41.229 42.059 -0.005 0.000 0.899 210 L HN 0.271 nan 8.230 nan 0.000 0.433 211 A N 0.293 123.118 122.820 0.008 0.000 1.972 211 A HA -0.158 4.162 4.320 0.000 0.000 0.219 211 A C 2.226 179.824 177.584 0.023 0.000 1.169 211 A CA 1.305 53.352 52.037 0.017 0.000 0.635 211 A CB -0.653 18.362 19.000 0.026 0.000 0.810 211 A HN 0.395 nan 8.150 nan 0.000 0.446 212 L N -1.078 120.158 121.223 0.021 0.000 2.265 212 L HA -0.077 4.263 4.340 0.000 0.000 0.215 212 L C 1.715 178.589 176.870 0.006 0.000 1.117 212 L CA 0.679 55.541 54.840 0.037 0.000 0.782 212 L CB -0.266 41.797 42.059 0.006 0.000 0.914 212 L HN 0.363 nan 8.230 nan 0.000 0.441 213 L N -0.687 120.522 121.223 -0.023 0.000 2.693 213 L HA 0.242 4.582 4.340 0.000 0.000 0.235 213 L C 1.302 178.164 176.870 -0.014 0.000 1.127 213 L CA -0.391 54.427 54.840 -0.036 0.000 0.914 213 L CB 0.076 42.097 42.059 -0.063 0.000 1.193 213 L HN 0.031 nan 8.230 nan 0.000 0.502 214 A N 1.643 124.463 122.820 0.001 0.000 3.048 214 A HA 0.419 4.739 4.320 0.000 0.000 0.264 214 A C 0.145 177.735 177.584 0.010 0.000 1.796 214 A CA -0.081 51.959 52.037 0.004 0.000 1.445 214 A CB -0.929 18.076 19.000 0.008 0.000 1.074 214 A HN 0.124 nan 8.150 nan 0.000 0.621 215 V N -1.415 118.503 119.914 0.008 0.000 3.001 215 V HA 0.613 4.734 4.120 0.000 0.000 0.314 215 V C -1.887 174.213 176.094 0.010 0.000 1.099 215 V CA -1.742 60.566 62.300 0.013 0.000 0.989 215 V CB 1.114 32.949 31.823 0.021 0.000 1.040 215 V HN 0.319 nan 8.190 nan 0.000 0.434 216 P HA 0.017 nan 4.420 nan 0.000 0.215 216 P C -0.227 177.082 177.300 0.016 0.000 1.153 216 P CA 1.528 64.635 63.100 0.011 0.000 0.853 216 P CB 0.149 31.856 31.700 0.012 0.000 0.788 217 D N -1.613 118.800 120.400 0.022 0.000 2.575 217 D HA 0.128 4.768 4.640 0.000 0.000 0.250 217 D C 0.896 177.218 176.300 0.037 0.000 1.279 217 D CA -0.367 53.655 54.000 0.035 0.000 0.925 217 D CB 0.804 41.628 40.800 0.040 0.000 1.261 217 D HN -0.202 nan 8.370 nan 0.000 0.567 218 L N 1.849 123.086 121.223 0.023 0.000 2.189 218 L HA -0.168 4.173 4.340 0.000 0.000 0.214 218 L C 2.009 178.891 176.870 0.019 0.000 1.097 218 L CA 0.879 55.692 54.840 -0.045 0.000 0.764 218 L CB -0.286 41.650 42.059 -0.207 0.000 0.900 218 L HN 0.306 nan 8.230 nan 0.000 0.436 219 S N -0.879 114.902 115.700 0.136 0.000 2.469 219 S HA -0.133 4.338 4.470 0.000 0.000 0.238 219 S C 1.964 176.624 174.600 0.101 0.000 0.998 219 S CA 1.569 59.876 58.200 0.179 0.000 0.957 219 S CB -0.341 62.947 63.200 0.148 0.000 0.764 219 S HN 0.668 nan 8.310 nan 0.000 0.514 220 T N -0.156 114.439 114.554 0.069 0.000 3.088 220 T HA 0.252 4.602 4.350 0.000 0.000 0.259 220 T C 0.540 175.276 174.700 0.061 0.000 1.122 220 T CA 0.044 62.177 62.100 0.054 0.000 1.095 220 T CB -0.376 68.516 68.868 0.040 0.000 0.930 220 T HN 0.166 nan 8.240 nan 0.000 0.508 221 L N 1.638 122.907 121.223 0.076 0.000 2.418 221 L HA 0.597 4.937 4.340 0.000 0.000 0.265 221 L C 0.914 177.855 176.870 0.118 0.000 1.143 221 L CA -1.169 53.742 54.840 0.120 0.000 0.809 221 L CB 0.386 42.529 42.059 0.141 0.000 1.124 221 L HN 0.161 nan 8.230 nan 0.000 0.456 222 A N 1.028 123.930 122.820 0.136 0.000 2.511 222 A HA 0.001 4.321 4.320 0.000 0.000 0.242 222 A C 1.150 178.813 177.584 0.131 0.000 1.069 222 A CA -0.205 51.895 52.037 0.105 0.000 0.763 222 A CB 0.303 19.345 19.000 0.070 0.000 1.001 222 A HN 1.073 nan 8.150 nan 0.000 0.498 223 C N 2.647 122.004 119.300 0.094 0.000 2.367 223 C HA -0.136 4.324 4.460 0.000 0.000 0.276 223 C C 2.748 177.783 174.990 0.074 0.000 1.195 223 C CA 2.110 61.180 59.018 0.087 0.000 1.756 223 C CB -1.584 26.194 27.740 0.064 0.000 2.046 223 C HN 0.980 nan 8.230 nan 0.000 0.453 224 G N -2.136 106.706 108.800 0.070 0.000 2.422 224 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 224 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 224 G C 1.454 176.409 174.900 0.093 0.000 1.146 224 G CA 1.061 46.190 45.100 0.048 0.000 0.769 224 G HN 0.670 nan 8.290 nan 0.000 0.547 225 Y N 0.648 120.945 120.300 -0.004 0.000 2.145 225 Y HA -0.066 4.484 4.550 0.000 0.000 0.286 225 Y C 2.489 178.384 175.900 -0.008 0.000 1.145 225 Y CA 1.233 59.336 58.100 0.006 0.000 1.148 225 Y CB -0.454 38.015 38.460 0.015 0.000 0.981 225 Y HN 0.141 nan 8.280 nan 0.000 0.507 226 L N 0.559 121.779 121.223 -0.005 0.000 2.056 226 L HA -0.144 4.197 4.340 0.000 0.000 0.207 226 L C 2.372 179.186 176.870 -0.094 0.000 1.078 226 L CA 1.695 56.465 54.840 -0.116 0.000 0.749 226 L CB -0.717 41.288 42.059 -0.090 0.000 0.901 226 L HN 0.099 nan 8.230 nan 0.000 0.433 227 R N -0.757 119.717 120.500 -0.043 0.000 2.096 227 R HA -0.122 4.218 4.340 0.000 0.000 0.235 227 R C 2.060 178.329 176.300 -0.053 0.000 1.127 227 R CA 1.312 57.389 56.100 -0.038 0.000 0.968 227 R CB -0.377 29.889 30.300 -0.057 0.000 0.861 227 R HN 0.467 nan 8.270 nan 0.000 0.440 228 N N 0.598 119.238 118.700 -0.100 0.000 2.171 228 N HA -0.086 4.654 4.740 0.000 0.000 0.184 228 N C 1.860 177.364 175.510 -0.010 0.000 1.021 228 N CA 1.033 54.027 53.050 -0.094 0.000 0.854 228 N CB -0.021 38.403 38.487 -0.105 0.000 0.994 228 N HN 0.154 nan 8.380 nan 0.000 0.426 229 L N 0.770 121.919 121.223 -0.124 0.000 2.017 229 L HA -0.150 4.190 4.340 0.000 0.000 0.208 229 L C 2.317 179.150 176.870 -0.062 0.000 1.073 229 L CA 1.157 55.917 54.840 -0.134 0.000 0.745 229 L CB -0.833 41.072 42.059 -0.256 0.000 0.894 229 L HN 0.129 nan 8.230 nan 0.000 0.432 230 T N -1.356 113.173 114.554 -0.043 0.000 2.652 230 T HA -0.285 4.066 4.350 0.000 0.000 0.267 230 T C 1.332 176.057 174.700 0.043 0.000 1.039 230 T CA 1.817 63.915 62.100 -0.003 0.000 1.153 230 T CB -0.514 68.364 68.868 0.016 0.000 0.863 230 T HN 0.505 nan 8.240 nan 0.000 0.428 231 W N 1.791 123.031 121.300 -0.100 0.000 2.335 231 W HA -0.181 4.479 4.660 0.000 0.000 0.311 231 W C 2.367 178.839 176.519 -0.077 0.000 1.213 231 W CA 1.627 58.915 57.345 -0.095 0.000 1.274 231 W CB -0.876 28.474 29.460 -0.183 0.000 1.148 231 W HN 0.108 nan 8.180 nan 0.000 0.498 232 T N 1.395 115.863 114.554 -0.142 0.000 2.788 232 T HA -0.194 4.156 4.350 0.000 0.000 0.268 232 T C 1.935 176.471 174.700 -0.274 0.000 1.044 232 T CA 1.723 63.621 62.100 -0.337 0.000 1.139 232 T CB -0.496 68.324 68.868 -0.080 0.000 0.867 232 T HN 0.136 nan 8.240 nan 0.000 0.454 233 L N 1.413 122.545 121.223 -0.152 0.000 2.083 233 L HA -0.108 4.232 4.340 0.000 0.000 0.209 233 L C 2.876 179.687 176.870 -0.097 0.000 1.083 233 L CA 1.484 56.263 54.840 -0.101 0.000 0.752 233 L CB -0.643 41.382 42.059 -0.058 0.000 0.899 233 L HN 0.391 nan 8.230 nan 0.000 0.433 234 S N -0.721 114.910 115.700 -0.115 0.000 2.447 234 S HA -0.142 4.329 4.470 0.000 0.000 0.233 234 S C 1.683 176.267 174.600 -0.027 0.000 1.006 234 S CA 1.167 59.360 58.200 -0.012 0.000 0.957 234 S CB -0.344 62.875 63.200 0.031 0.000 0.773 234 S HN 0.395 nan 8.310 nan 0.000 0.507 235 N N 1.416 119.940 118.700 -0.294 0.000 2.354 235 N HA 0.235 4.975 4.740 0.000 0.000 0.179 235 N C 1.427 176.819 175.510 -0.196 0.000 1.021 235 N CA 0.648 53.499 53.050 -0.333 0.000 0.887 235 N CB -0.455 37.697 38.487 -0.559 0.000 0.974 235 N HN 0.438 nan 8.380 nan 0.000 0.437 236 L N -0.650 120.488 121.223 -0.141 0.000 2.478 236 L HA -0.018 4.322 4.340 0.000 0.000 0.223 236 L C 1.262 178.112 176.870 -0.033 0.000 1.140 236 L CA 0.378 55.172 54.840 -0.077 0.000 0.842 236 L CB 0.022 42.046 42.059 -0.058 0.000 0.953 236 L HN 0.193 nan 8.230 nan 0.000 0.452 237 C N -1.347 117.955 119.300 0.004 0.000 2.780 237 C HA 0.122 4.582 4.460 0.000 0.000 0.267 237 C C 1.679 176.712 174.990 0.071 0.000 1.266 237 C CA -0.560 58.507 59.018 0.080 0.000 1.709 237 C CB -0.531 27.307 27.740 0.164 0.000 1.975 237 C HN 0.313 nan 8.230 nan 0.000 0.582 238 R N 1.981 122.419 120.500 -0.103 0.000 2.637 238 R HA 0.236 4.576 4.340 0.000 0.000 0.269 238 R C -0.495 175.635 176.300 -0.283 0.000 1.089 238 R CA 0.301 56.126 56.100 -0.459 0.000 1.177 238 R CB 0.291 30.186 30.300 -0.675 0.000 1.091 238 R HN 0.453 nan 8.270 nan 0.000 0.540 239 N N 0.833 119.341 118.700 -0.320 0.000 4.497 239 N HA -0.139 4.601 4.740 0.000 0.000 0.341 239 N C -0.843 174.607 175.510 -0.100 0.000 1.998 239 N CA 0.466 53.409 53.050 -0.179 0.000 2.907 239 N CB -0.154 38.248 38.487 -0.141 0.000 0.374 239 N HN 0.712 nan 8.380 nan 0.000 0.762 240 K N 0.228 120.585 120.400 -0.071 0.000 2.425 240 K HA 0.195 4.516 4.320 0.000 0.000 0.201 240 K C -0.246 176.337 176.600 -0.028 0.000 1.128 240 K CA 0.104 56.370 56.287 -0.035 0.000 1.000 240 K CB 0.449 32.938 32.500 -0.018 0.000 0.961 240 K HN 0.328 nan 8.250 nan 0.000 0.555 241 N N 2.776 121.453 118.700 -0.038 0.000 2.936 241 N HA 0.202 4.943 4.740 0.000 0.000 0.243 241 N C -2.510 172.979 175.510 -0.036 0.000 1.149 241 N CA -0.787 52.244 53.050 -0.031 0.000 0.914 241 N CB 1.435 39.904 38.487 -0.031 0.000 1.179 241 N HN 0.163 nan 8.380 nan 0.000 0.502 242 P HA 0.404 nan 4.420 nan 0.000 0.284 242 P C -0.561 176.727 177.300 -0.021 0.000 1.292 242 P CA -0.486 62.602 63.100 -0.020 0.000 0.800 242 P CB 1.088 32.780 31.700 -0.014 0.000 1.188 243 A N 0.516 123.330 122.820 -0.011 0.000 2.287 243 A HA 0.541 4.861 4.320 0.000 0.000 0.273 243 A C -2.163 175.418 177.584 -0.005 0.000 1.091 243 A CA -1.402 50.631 52.037 -0.006 0.000 0.817 243 A CB -1.424 17.580 19.000 0.007 0.000 1.069 243 A HN 0.407 nan 8.150 nan 0.000 0.492 244 P HA 0.158 nan 4.420 nan 0.000 0.267 244 P C -2.467 174.837 177.300 0.006 0.000 1.201 244 P CA -0.447 62.654 63.100 0.001 0.000 0.775 244 P CB -0.431 31.272 31.700 0.006 0.000 0.854 245 P HA 0.055 nan 4.420 nan 0.000 0.265 245 P C 0.963 178.268 177.300 0.009 0.000 1.193 245 P CA 0.234 63.339 63.100 0.008 0.000 0.765 245 P CB 0.253 31.959 31.700 0.010 0.000 0.823 246 L N 2.365 123.594 121.223 0.009 0.000 2.043 246 L HA -0.252 4.089 4.340 0.000 0.000 0.212 246 L C 2.014 178.889 176.870 0.009 0.000 1.075 246 L CA 1.915 56.761 54.840 0.009 0.000 0.752 246 L CB -0.759 41.305 42.059 0.007 0.000 0.891 246 L HN 0.527 nan 8.230 nan 0.000 0.432 247 D N 0.110 120.515 120.400 0.008 0.000 2.178 247 D HA -0.178 4.462 4.640 0.000 0.000 0.202 247 D C 2.028 178.333 176.300 0.009 0.000 0.974 247 D CA 1.321 55.326 54.000 0.008 0.000 0.841 247 D CB -0.075 40.729 40.800 0.007 0.000 0.953 247 D HN 0.340 nan 8.370 nan 0.000 0.478 248 A N 1.188 124.014 122.820 0.010 0.000 1.898 248 A HA -0.030 4.290 4.320 0.000 0.000 0.216 248 A C 2.647 180.237 177.584 0.010 0.000 1.181 248 A CA 1.205 53.248 52.037 0.010 0.000 0.620 248 A CB -0.767 18.240 19.000 0.011 0.000 0.819 248 A HN 0.174 nan 8.150 nan 0.000 0.442 249 V N 0.313 120.234 119.914 0.012 0.000 2.261 249 V HA -0.225 3.895 4.120 0.000 0.000 0.246 249 V C 2.587 178.688 176.094 0.012 0.000 1.047 249 V CA 2.147 64.456 62.300 0.015 0.000 1.015 249 V CB -0.751 31.083 31.823 0.018 0.000 0.642 249 V HN 0.497 nan 8.190 nan 0.000 0.446 250 E N -0.177 120.029 120.200 0.010 0.000 2.085 250 E HA -0.284 4.066 4.350 0.000 0.000 0.194 250 E C 2.192 178.796 176.600 0.007 0.000 0.994 250 E CA 1.529 57.934 56.400 0.008 0.000 0.801 250 E CB -0.304 29.400 29.700 0.007 0.000 0.743 250 E HN 0.681 nan 8.360 nan 0.000 0.453 251 Q N -0.004 119.800 119.800 0.007 0.000 2.020 251 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 251 Q C 2.353 178.355 176.000 0.004 0.000 0.982 251 Q CA 1.251 57.057 55.803 0.005 0.000 0.838 251 Q CB -0.055 28.686 28.738 0.007 0.000 0.899 251 Q HN 0.279 nan 8.270 nan 0.000 0.423 252 I N 0.365 120.938 120.570 0.004 0.000 2.353 252 I HA -0.270 3.900 4.170 0.000 0.000 0.248 252 I C 2.220 178.339 176.117 0.004 0.000 1.119 252 I CA 0.509 61.810 61.300 0.002 0.000 1.417 252 I CB -0.233 37.767 38.000 0.001 0.000 1.078 252 I HN 0.256 nan 8.210 nan 0.000 0.421 253 L N 0.857 122.085 121.223 0.007 0.000 2.010 253 L HA -0.240 4.101 4.340 0.000 0.000 0.219 253 L C -0.149 176.727 176.870 0.010 0.000 1.077 253 L CA 2.239 57.085 54.840 0.010 0.000 0.773 253 L CB -1.921 40.145 42.059 0.010 0.000 0.892 253 L HN 0.193 nan 8.230 nan 0.000 0.436 254 P HA -0.166 nan 4.420 nan 0.000 0.215 254 P C 1.599 178.903 177.300 0.008 0.000 1.157 254 P CA 1.754 64.857 63.100 0.006 0.000 0.874 254 P CB -0.086 31.615 31.700 0.002 0.000 0.790 255 T N -0.278 114.277 114.554 0.002 0.000 2.746 255 T HA -0.141 4.209 4.350 0.000 0.000 0.267 255 T C 1.671 176.373 174.700 0.004 0.000 1.039 255 T CA 0.930 63.029 62.100 -0.002 0.000 1.142 255 T CB -0.931 67.930 68.868 -0.012 0.000 0.866 255 T HN -0.038 nan 8.240 nan 0.000 0.444 256 L N 1.373 122.600 121.223 0.006 0.000 2.042 256 L HA -0.038 4.302 4.340 0.000 0.000 0.210 256 L C 2.469 179.357 176.870 0.030 0.000 1.076 256 L CA 1.409 56.255 54.840 0.010 0.000 0.749 256 L CB -0.883 41.180 42.059 0.007 0.000 0.893 256 L HN 0.102 nan 8.230 nan 0.000 0.432 257 V N -0.522 119.418 119.914 0.042 0.000 2.407 257 V HA -0.286 3.834 4.120 0.000 0.000 0.248 257 V C 2.742 178.926 176.094 0.150 0.000 1.055 257 V CA 1.966 64.317 62.300 0.086 0.000 1.049 257 V CB -0.695 31.166 31.823 0.063 0.000 0.662 257 V HN 0.474 nan 8.190 nan 0.000 0.455 258 R N -0.238 120.313 120.500 0.085 0.000 2.073 258 R HA -0.040 4.300 4.340 0.000 0.000 0.229 258 R C 2.225 178.595 176.300 0.117 0.000 1.120 258 R CA 1.242 57.395 56.100 0.088 0.000 0.967 258 R CB -0.222 30.095 30.300 0.028 0.000 0.862 258 R HN 0.441 nan 8.270 nan 0.000 0.436 259 L N 0.515 121.777 121.223 0.065 0.000 2.191 259 L HA -0.151 4.190 4.340 0.000 0.000 0.212 259 L C 2.054 178.974 176.870 0.083 0.000 1.103 259 L CA 0.361 55.233 54.840 0.053 0.000 0.769 259 L CB -0.291 41.773 42.059 0.007 0.000 0.908 259 L HN 0.231 nan 8.230 nan 0.000 0.438 260 L N -1.050 120.211 121.223 0.062 0.000 2.465 260 L HA -0.129 4.211 4.340 0.000 0.000 0.224 260 L C 1.962 178.739 176.870 -0.155 0.000 1.145 260 L CA 1.565 56.382 54.840 -0.040 0.000 0.834 260 L CB -0.628 41.391 42.059 -0.068 0.000 0.944 260 L HN 0.294 nan 8.230 nan 0.000 0.451 261 H N -2.993 116.100 119.070 0.038 0.000 2.672 261 H HA 0.154 4.711 4.556 0.000 0.000 0.277 261 H C -0.144 175.226 175.328 0.069 0.000 1.074 261 H CA -0.251 55.818 56.048 0.035 0.000 1.173 261 H CB 0.236 30.012 29.762 0.025 0.000 1.558 261 H HN 0.283 nan 8.280 nan 0.000 0.539 262 H N 1.766 120.868 119.070 0.054 0.000 2.551 262 H HA -0.006 4.550 4.556 0.000 0.000 0.358 262 H C 1.287 176.619 175.328 0.008 0.000 1.151 262 H CA -0.091 55.977 56.048 0.033 0.000 1.374 262 H CB 0.922 30.697 29.762 0.022 0.000 1.473 262 H HN 0.259 nan 8.280 nan 0.000 0.574 263 N N 1.226 119.559 118.700 -0.611 0.000 2.457 263 N HA -0.096 4.644 4.740 0.000 0.000 0.180 263 N C -0.343 174.984 175.510 -0.305 0.000 1.050 263 N CA 0.314 53.137 53.050 -0.379 0.000 0.906 263 N CB 0.088 38.395 38.487 -0.300 0.000 0.968 263 N HN 0.535 nan 8.380 nan 0.000 0.445 264 D N 1.167 121.347 120.400 -0.366 0.000 2.371 264 D HA 0.098 4.738 4.640 0.000 0.000 0.256 264 D C -1.281 175.016 176.300 -0.005 0.000 1.193 264 D CA -2.161 51.794 54.000 -0.074 0.000 0.881 264 D CB 1.116 41.974 40.800 0.097 0.000 1.143 264 D HN 0.043 nan 8.370 nan 0.000 0.473 265 P HA -0.198 nan 4.420 nan 0.000 0.218 265 P C 1.033 178.343 177.300 0.017 0.000 1.148 265 P CA 1.045 64.139 63.100 -0.010 0.000 0.822 265 P CB 0.322 32.012 31.700 -0.017 0.000 0.784 266 E N -0.143 120.076 120.200 0.032 0.000 2.107 266 E HA -0.086 4.265 4.350 0.000 0.000 0.191 266 E C 2.003 178.646 176.600 0.071 0.000 0.982 266 E CA 0.667 57.095 56.400 0.047 0.000 0.809 266 E CB -0.163 29.552 29.700 0.024 0.000 0.756 266 E HN -0.047 nan 8.360 nan 0.000 0.459 267 V N 1.386 121.351 119.914 0.084 0.000 2.343 267 V HA -0.265 3.855 4.120 0.000 0.000 0.247 267 V C 2.391 178.528 176.094 0.073 0.000 1.051 267 V CA 1.369 63.728 62.300 0.097 0.000 1.036 267 V CB -0.399 31.532 31.823 0.180 0.000 0.654 267 V HN 0.333 nan 8.190 nan 0.000 0.451 268 L N -0.059 121.194 121.223 0.050 0.000 2.017 268 L HA -0.147 4.193 4.340 0.000 0.000 0.208 268 L C 2.774 179.628 176.870 -0.027 0.000 1.073 268 L CA 1.560 56.397 54.840 -0.005 0.000 0.745 268 L CB -0.879 41.158 42.059 -0.037 0.000 0.894 268 L HN 0.359 nan 8.230 nan 0.000 0.432 269 A N 0.135 122.958 122.820 0.004 0.000 1.865 269 A HA -0.257 4.063 4.320 0.000 0.000 0.217 269 A C 1.954 179.611 177.584 0.122 0.000 1.191 269 A CA 2.189 54.234 52.037 0.012 0.000 0.623 269 A CB -0.653 18.414 19.000 0.113 0.000 0.826 269 A HN 0.361 nan 8.150 nan 0.000 0.444 270 D N -0.305 120.227 120.400 0.220 0.000 2.178 270 D HA -0.058 4.582 4.640 0.000 0.000 0.201 270 D C 2.277 178.658 176.300 0.136 0.000 0.980 270 D CA 1.408 55.577 54.000 0.281 0.000 0.842 270 D CB -0.283 40.658 40.800 0.236 0.000 0.948 270 D HN 0.383 nan 8.370 nan 0.000 0.472 271 S N -0.299 115.430 115.700 0.049 0.000 2.368 271 S HA -0.129 4.341 4.470 0.000 0.000 0.224 271 S C 2.247 176.808 174.600 -0.066 0.000 1.029 271 S CA 0.576 58.773 58.200 -0.005 0.000 0.988 271 S CB -0.282 62.911 63.200 -0.011 0.000 0.838 271 S HN 0.377 nan 8.310 nan 0.000 0.462 272 C N 0.119 119.341 119.300 -0.129 0.000 2.425 272 C HA -0.063 4.398 4.460 0.000 0.000 0.277 272 C C 2.213 177.007 174.990 -0.327 0.000 1.280 272 C CA 0.126 58.995 59.018 -0.249 0.000 1.744 272 C CB -1.523 26.006 27.740 -0.352 0.000 1.989 272 C HN 0.738 nan 8.230 nan 0.000 0.491 273 W N 0.828 121.967 121.300 -0.268 0.000 2.358 273 W HA -0.098 4.562 4.660 0.001 0.000 0.303 273 W C 2.649 178.605 176.519 -0.938 0.000 1.208 273 W CA 1.054 58.071 57.345 -0.547 0.000 1.274 273 W CB -0.455 28.775 29.460 -0.384 0.000 1.138 273 W HN 0.268 nan 8.180 nan 0.000 0.515 274 A N 0.270 122.940 122.820 -0.251 0.000 1.883 274 A HA -0.215 4.105 4.320 0.000 0.000 0.217 274 A C 1.832 179.346 177.584 -0.118 0.000 1.186 274 A CA 1.762 53.714 52.037 -0.141 0.000 0.624 274 A CB -0.880 18.114 19.000 -0.009 0.000 0.822 274 A HN 0.165 nan 8.150 nan 0.000 0.444 275 I N 1.117 121.618 120.570 -0.116 0.000 2.286 275 I HA -0.192 3.978 4.170 0.000 0.000 0.248 275 I C 2.819 178.894 176.117 -0.070 0.000 1.115 275 I CA 1.996 63.253 61.300 -0.072 0.000 1.392 275 I CB -1.494 36.458 38.000 -0.079 0.000 1.065 275 I HN 0.555 nan 8.210 nan 0.000 0.418 276 S N 0.635 116.242 115.700 -0.157 0.000 2.402 276 S HA -0.192 4.279 4.470 0.000 0.000 0.229 276 S C 2.097 176.747 174.600 0.083 0.000 1.021 276 S CA 0.861 59.017 58.200 -0.074 0.000 0.974 276 S CB -0.623 62.500 63.200 -0.129 0.000 0.800 276 S HN 0.345 nan 8.310 nan 0.000 0.484 277 Y N 1.951 122.319 120.300 0.113 0.000 2.184 277 Y HA 0.258 4.808 4.550 0.000 0.000 0.290 277 Y C 2.343 178.273 175.900 0.050 0.000 1.129 277 Y CA -0.077 58.073 58.100 0.082 0.000 1.144 277 Y CB -1.040 37.457 38.460 0.061 0.000 0.995 277 Y HN 0.213 nan 8.280 nan 0.000 0.513 278 L N -0.271 121.067 121.223 0.191 0.000 2.191 278 L HA -0.167 4.174 4.340 0.000 0.000 0.212 278 L C 2.102 179.020 176.870 0.081 0.000 1.103 278 L CA 1.898 56.803 54.840 0.109 0.000 0.769 278 L CB -0.941 41.160 42.059 0.070 0.000 0.908 278 L HN 0.331 nan 8.230 nan 0.000 0.438 279 T N -5.183 109.418 114.554 0.078 0.000 3.107 279 T HA -0.030 4.320 4.350 0.000 0.000 0.249 279 T C 0.735 175.487 174.700 0.086 0.000 1.096 279 T CA -0.169 61.969 62.100 0.062 0.000 1.012 279 T CB -0.189 68.704 68.868 0.042 0.000 0.977 279 T HN 0.020 nan 8.240 nan 0.000 0.527 280 D N 1.466 121.936 120.400 0.116 0.000 2.563 280 D HA 0.529 5.169 4.640 0.000 0.000 0.222 280 D C 0.526 176.879 176.300 0.088 0.000 1.145 280 D CA 0.077 54.151 54.000 0.124 0.000 1.001 280 D CB -0.267 40.629 40.800 0.159 0.000 1.049 280 D HN 0.568 nan 8.370 nan 0.000 0.515 281 G N 1.849 110.691 108.800 0.069 0.000 2.393 281 G HA2 0.298 4.258 3.960 0.000 0.000 0.264 281 G HA3 0.298 4.258 3.960 0.000 0.000 0.264 281 G C -2.770 172.151 174.900 0.035 0.000 1.221 281 G CA -0.842 44.286 45.100 0.047 0.000 0.912 281 G HN 0.201 nan 8.290 nan 0.000 0.483 282 P HA 0.221 nan 4.420 nan 0.000 0.270 282 P C 0.617 177.924 177.300 0.013 0.000 1.223 282 P CA -0.176 62.933 63.100 0.015 0.000 0.785 282 P CB 0.483 32.190 31.700 0.012 0.000 0.923 283 N N 0.411 119.115 118.700 0.006 0.000 2.272 283 N HA -0.201 4.540 4.740 0.000 0.000 0.185 283 N C 1.014 176.525 175.510 0.002 0.000 1.014 283 N CA 0.831 53.882 53.050 0.001 0.000 0.870 283 N CB -0.131 38.353 38.487 -0.006 0.000 0.975 283 N HN 0.532 nan 8.380 nan 0.000 0.433 284 E N 0.712 120.915 120.200 0.004 0.000 2.150 284 E HA -0.056 4.295 4.350 0.000 0.000 0.193 284 E C 1.824 178.429 176.600 0.008 0.000 0.985 284 E CA 0.673 57.076 56.400 0.004 0.000 0.814 284 E CB 0.092 29.795 29.700 0.004 0.000 0.752 284 E HN 0.220 nan 8.360 nan 0.000 0.466 285 R N 0.340 120.848 120.500 0.012 0.000 2.062 285 R HA 0.022 4.363 4.340 0.000 0.000 0.229 285 R C 2.401 178.712 176.300 0.018 0.000 1.128 285 R CA 0.929 57.040 56.100 0.018 0.000 0.960 285 R CB -0.649 29.666 30.300 0.026 0.000 0.855 285 R HN 0.290 nan 8.270 nan 0.000 0.432 286 I N 0.850 121.429 120.570 0.015 0.000 2.226 286 I HA -0.262 3.909 4.170 0.000 0.000 0.245 286 I C 2.461 178.580 176.117 0.003 0.000 1.100 286 I CA 1.297 62.603 61.300 0.010 0.000 1.374 286 I CB -0.288 37.714 38.000 0.004 0.000 1.057 286 I HN 0.100 nan 8.210 nan 0.000 0.413 287 E N 1.679 121.880 120.200 0.001 0.000 2.058 287 E HA -0.252 4.098 4.350 0.000 0.000 0.194 287 E C 2.245 178.845 176.600 0.001 0.000 0.997 287 E CA 1.868 58.267 56.400 -0.001 0.000 0.801 287 E CB -0.317 29.382 29.700 -0.002 0.000 0.746 287 E HN 0.515 nan 8.360 nan 0.000 0.450 288 M N -1.425 118.178 119.600 0.005 0.000 2.446 288 M HA -0.054 4.427 4.480 0.000 0.000 0.263 288 M C 1.732 178.036 176.300 0.007 0.000 1.066 288 M CA 1.070 56.373 55.300 0.006 0.000 1.087 288 M CB -0.139 32.466 32.600 0.008 0.000 1.406 288 M HN -0.036 nan 8.290 nan 0.000 0.459 289 V N 0.458 120.376 119.914 0.007 0.000 2.374 289 V HA -0.107 4.013 4.120 0.000 0.000 0.241 289 V C 2.590 178.686 176.094 0.002 0.000 1.034 289 V CA 1.032 63.336 62.300 0.006 0.000 1.037 289 V CB -0.031 31.796 31.823 0.007 0.000 0.682 289 V HN 0.313 nan 8.190 nan 0.000 0.463 290 V N 0.131 120.044 119.914 -0.002 0.000 2.324 290 V HA -0.307 3.813 4.120 0.000 0.000 0.250 290 V C 2.486 178.579 176.094 -0.002 0.000 1.060 290 V CA 2.209 64.506 62.300 -0.005 0.000 1.042 290 V CB -0.705 31.112 31.823 -0.010 0.000 0.650 290 V HN 0.448 nan 8.190 nan 0.000 0.450 291 K N 0.258 120.658 120.400 -0.001 0.000 2.281 291 K HA -0.152 4.168 4.320 0.000 0.000 0.203 291 K C 1.841 178.443 176.600 0.002 0.000 1.046 291 K CA 1.116 57.403 56.287 -0.000 0.000 0.938 291 K CB -0.155 32.345 32.500 -0.000 0.000 0.737 291 K HN 0.240 nan 8.250 nan 0.000 0.458 292 K N -0.895 119.508 120.400 0.005 0.000 2.487 292 K HA 0.117 4.437 4.320 0.000 0.000 0.192 292 K C 0.771 177.380 176.600 0.015 0.000 1.027 292 K CA 0.818 57.111 56.287 0.009 0.000 1.054 292 K CB -0.005 32.503 32.500 0.013 0.000 0.824 292 K HN 0.338 nan 8.250 nan 0.000 0.510 293 G N 1.542 110.350 108.800 0.013 0.000 2.176 293 G HA2 -0.272 3.688 3.960 0.000 0.000 0.252 293 G HA3 -0.272 3.688 3.960 0.000 0.000 0.252 293 G C 0.737 175.658 174.900 0.035 0.000 1.024 293 G CA 0.516 45.627 45.100 0.018 0.000 0.755 293 G HN 0.251 nan 8.290 nan 0.000 0.507 294 V N -2.881 117.050 119.914 0.028 0.000 3.406 294 V HA 0.169 4.289 4.120 0.000 0.000 0.263 294 V C 2.377 178.470 176.094 -0.002 0.000 1.172 294 V CA 1.399 63.716 62.300 0.028 0.000 1.140 294 V CB -0.023 31.808 31.823 0.012 0.000 0.784 294 V HN 0.305 nan 8.190 nan 0.000 0.467 295 V N 1.135 121.045 119.914 -0.007 0.000 2.282 295 V HA -0.163 3.958 4.120 0.000 0.000 0.249 295 V C 0.547 176.628 176.094 -0.021 0.000 1.057 295 V CA 3.088 65.376 62.300 -0.020 0.000 1.032 295 V CB -1.829 29.983 31.823 -0.019 0.000 0.645 295 V HN 0.517 nan 8.190 nan 0.000 0.447 296 P HA -0.184 nan 4.420 nan 0.000 0.215 296 P C 1.754 179.040 177.300 -0.024 0.000 1.153 296 P CA 1.370 64.466 63.100 -0.006 0.000 0.853 296 P CB -0.035 31.673 31.700 0.014 0.000 0.788 297 Q N -0.319 119.464 119.800 -0.029 0.000 2.170 297 Q HA -0.136 4.205 4.340 0.000 0.000 0.203 297 Q C 1.932 177.858 176.000 -0.123 0.000 0.976 297 Q CA 1.556 57.293 55.803 -0.112 0.000 0.858 297 Q CB -1.203 27.402 28.738 -0.222 0.000 0.907 297 Q HN 0.185 nan 8.270 nan 0.000 0.433 298 L N -1.195 119.972 121.223 -0.092 0.000 2.056 298 L HA -0.133 4.207 4.340 0.000 0.000 0.207 298 L C 2.224 179.043 176.870 -0.085 0.000 1.078 298 L CA 0.822 55.603 54.840 -0.097 0.000 0.749 298 L CB -0.482 41.529 42.059 -0.079 0.000 0.901 298 L HN 0.093 nan 8.230 nan 0.000 0.433 299 V N 0.190 120.068 119.914 -0.060 0.000 2.407 299 V HA -0.315 3.806 4.120 0.000 0.000 0.248 299 V C 2.570 178.627 176.094 -0.062 0.000 1.055 299 V CA 1.855 64.125 62.300 -0.049 0.000 1.049 299 V CB -0.583 31.224 31.823 -0.027 0.000 0.662 299 V HN 0.454 nan 8.190 nan 0.000 0.455 300 K N 0.226 120.587 120.400 -0.066 0.000 2.002 300 K HA -0.155 4.165 4.320 0.000 0.000 0.209 300 K C 2.110 178.658 176.600 -0.087 0.000 1.048 300 K CA 1.662 57.908 56.287 -0.068 0.000 0.930 300 K CB -0.259 32.200 32.500 -0.069 0.000 0.714 300 K HN 0.405 nan 8.250 nan 0.000 0.438 301 L N 1.206 122.365 121.223 -0.108 0.000 2.265 301 L HA -0.165 4.175 4.340 0.000 0.000 0.215 301 L C 2.405 179.202 176.870 -0.122 0.000 1.117 301 L CA 0.153 54.922 54.840 -0.119 0.000 0.782 301 L CB -0.368 41.607 42.059 -0.141 0.000 0.914 301 L HN 0.244 nan 8.230 nan 0.000 0.441 302 L N 0.256 121.408 121.223 -0.120 0.000 2.191 302 L HA -0.069 4.271 4.340 0.000 0.000 0.212 302 L C 2.136 178.923 176.870 -0.139 0.000 1.103 302 L CA 1.699 56.457 54.840 -0.137 0.000 0.769 302 L CB -0.710 41.273 42.059 -0.127 0.000 0.908 302 L HN 0.132 nan 8.230 nan 0.000 0.438 303 G N -1.468 107.267 108.800 -0.110 0.000 3.042 303 G HA2 0.273 4.234 3.960 0.000 0.000 0.212 303 G HA3 0.273 4.234 3.960 0.000 0.000 0.212 303 G C 0.745 175.593 174.900 -0.086 0.000 1.166 303 G CA 0.290 45.331 45.100 -0.098 0.000 0.767 303 G HN 0.564 nan 8.290 nan 0.000 0.546 304 A N 0.357 123.123 122.820 -0.090 0.000 2.536 304 A HA 0.384 4.704 4.320 0.000 0.000 0.234 304 A C 1.821 179.362 177.584 -0.071 0.000 1.076 304 A CA 1.033 53.023 52.037 -0.078 0.000 0.769 304 A CB 0.238 19.187 19.000 -0.086 0.000 1.020 304 A HN 0.496 nan 8.150 nan 0.000 0.508 305 T N -1.230 113.290 114.554 -0.056 0.000 3.057 305 T HA 0.148 4.498 4.350 0.000 0.000 0.254 305 T C 0.160 174.835 174.700 -0.043 0.000 1.094 305 T CA 0.778 62.850 62.100 -0.047 0.000 1.088 305 T CB -0.205 68.641 68.868 -0.037 0.000 0.934 305 T HN 0.630 nan 8.240 nan 0.000 0.497 306 E N 1.461 121.634 120.200 -0.044 0.000 2.152 306 E HA 0.404 4.754 4.350 0.000 0.000 0.285 306 E C 0.755 177.331 176.600 -0.040 0.000 1.043 306 E CA -0.388 55.991 56.400 -0.035 0.000 0.839 306 E CB 1.411 31.093 29.700 -0.030 0.000 1.069 306 E HN 0.036 nan 8.360 nan 0.000 0.399 307 L N 6.364 127.570 121.223 -0.028 0.000 2.081 307 L HA -0.111 4.229 4.340 0.000 0.000 0.212 307 L C -1.030 175.829 176.870 -0.019 0.000 1.080 307 L CA 2.018 56.842 54.840 -0.027 0.000 0.754 307 L CB -0.626 41.428 42.059 -0.007 0.000 0.893 307 L HN 0.513 nan 8.230 nan 0.000 0.433 308 P HA -0.083 nan 4.420 nan 0.000 0.228 308 P C 1.629 178.917 177.300 -0.021 0.000 1.151 308 P CA 1.383 64.511 63.100 0.048 0.000 0.770 308 P CB 0.090 31.831 31.700 0.069 0.000 0.786 309 I N -2.173 118.353 120.570 -0.074 0.000 2.729 309 I HA -0.088 4.082 4.170 0.000 0.000 0.256 309 I C 2.035 178.035 176.117 -0.195 0.000 1.115 309 I CA 0.526 61.744 61.300 -0.136 0.000 1.446 309 I CB -0.508 37.430 38.000 -0.103 0.000 1.176 309 I HN -0.272 nan 8.210 nan 0.000 0.446 310 V N 0.989 120.812 119.914 -0.151 0.000 2.332 310 V HA -0.299 3.821 4.120 0.000 0.000 0.248 310 V C 2.511 178.487 176.094 -0.196 0.000 1.055 310 V CA 2.512 64.714 62.300 -0.162 0.000 1.038 310 V CB -1.116 30.630 31.823 -0.129 0.000 0.651 310 V HN 0.463 nan 8.190 nan 0.000 0.450 311 T N 0.959 115.401 114.554 -0.187 0.000 2.622 311 T HA -0.114 4.236 4.350 0.000 0.000 0.266 311 T C 0.135 174.578 174.700 -0.429 0.000 1.047 311 T CA 2.195 64.173 62.100 -0.203 0.000 1.159 311 T CB -1.367 67.456 68.868 -0.075 0.000 0.863 311 T HN 0.518 nan 8.240 nan 0.000 0.422 312 P HA 0.056 nan 4.420 nan 0.000 0.219 312 P C 1.357 178.286 177.300 -0.618 0.000 1.150 312 P CA 1.216 63.564 63.100 -1.254 0.000 0.814 312 P CB -0.130 30.302 31.700 -2.113 0.000 0.787 313 A N 0.347 122.910 122.820 -0.427 0.000 1.902 313 A HA -0.153 4.167 4.320 0.000 0.000 0.217 313 A C 2.210 179.684 177.584 -0.184 0.000 1.181 313 A CA 1.485 53.363 52.037 -0.266 0.000 0.623 313 A CB -1.622 17.249 19.000 -0.214 0.000 0.818 313 A HN 0.186 nan 8.150 nan 0.000 0.443 314 L N -0.366 120.754 121.223 -0.173 0.000 2.093 314 L HA -0.062 4.278 4.340 0.000 0.000 0.208 314 L C 2.300 179.175 176.870 0.009 0.000 1.085 314 L CA 2.305 57.096 54.840 -0.081 0.000 0.755 314 L CB -0.663 41.342 42.059 -0.090 0.000 0.904 314 L HN 0.372 nan 8.230 nan 0.000 0.435 315 R N 0.368 120.841 120.500 -0.046 0.000 2.075 315 R HA -0.000 4.340 4.340 0.000 0.000 0.232 315 R C 2.106 178.454 176.300 0.081 0.000 1.126 315 R CA 1.701 57.842 56.100 0.068 0.000 0.963 315 R CB -1.020 29.262 30.300 -0.031 0.000 0.858 315 R HN 0.448 nan 8.270 nan 0.000 0.435 316 A N 0.822 123.616 122.820 -0.043 0.000 1.902 316 A HA -0.071 4.249 4.320 0.000 0.000 0.217 316 A C 2.099 179.681 177.584 -0.004 0.000 1.181 316 A CA 1.477 53.495 52.037 -0.031 0.000 0.623 316 A CB -0.474 18.468 19.000 -0.096 0.000 0.818 316 A HN 0.292 nan 8.150 nan 0.000 0.443 317 I N -0.012 120.550 120.570 -0.013 0.000 2.315 317 I HA -0.164 4.007 4.170 0.000 0.000 0.248 317 I C 2.620 178.720 176.117 -0.027 0.000 1.117 317 I CA 1.474 62.767 61.300 -0.012 0.000 1.404 317 I CB -1.853 36.154 38.000 0.011 0.000 1.071 317 I HN 0.364 nan 8.210 nan 0.000 0.419 318 G N 0.969 109.782 108.800 0.021 0.000 2.408 318 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 318 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 318 G C 1.507 176.283 174.900 -0.207 0.000 1.150 318 G CA 0.389 45.391 45.100 -0.164 0.000 0.776 318 G HN 0.314 nan 8.290 nan 0.000 0.542 319 N N 0.792 119.557 118.700 0.108 0.000 2.106 319 N HA -0.029 4.712 4.740 0.000 0.000 0.188 319 N C 2.247 177.761 175.510 0.007 0.000 1.029 319 N CA 0.708 53.837 53.050 0.132 0.000 0.848 319 N CB -0.307 38.274 38.487 0.156 0.000 1.007 319 N HN 0.327 nan 8.380 nan 0.000 0.423 320 I N 1.001 121.560 120.570 -0.019 0.000 2.264 320 I HA -0.188 3.983 4.170 0.000 0.000 0.248 320 I C 1.704 177.774 176.117 -0.079 0.000 1.111 320 I CA 0.915 62.192 61.300 -0.039 0.000 1.382 320 I CB -0.254 37.724 38.000 -0.038 0.000 1.060 320 I HN 0.009 nan 8.210 nan 0.000 0.418 321 V N -1.975 117.857 119.914 -0.136 0.000 3.636 321 V HA 0.028 4.148 4.120 0.000 0.000 0.279 321 V C 1.782 177.761 176.094 -0.192 0.000 1.263 321 V CA 1.132 63.328 62.300 -0.173 0.000 1.182 321 V CB -1.372 30.315 31.823 -0.226 0.000 0.955 321 V HN 0.512 nan 8.190 nan 0.000 0.443 322 T N -3.276 111.186 114.554 -0.152 0.000 3.060 322 T HA 0.381 4.732 4.350 0.000 0.000 0.249 322 T C 1.214 175.875 174.700 -0.065 0.000 1.079 322 T CA 0.558 62.588 62.100 -0.115 0.000 1.013 322 T CB 0.238 69.082 68.868 -0.039 0.000 0.975 322 T HN 0.623 nan 8.240 nan 0.000 0.518 323 G N 2.104 110.867 108.800 -0.060 0.000 2.735 323 G HA2 0.433 4.394 3.960 0.000 0.000 0.192 323 G HA3 0.433 4.394 3.960 0.000 0.000 0.192 323 G C 0.285 175.158 174.900 -0.045 0.000 1.547 323 G CA 0.116 45.192 45.100 -0.040 0.000 1.080 323 G HN 0.596 nan 8.290 nan 0.000 0.569 324 T N -1.862 112.669 114.554 -0.038 0.000 2.849 324 T HA 0.251 4.601 4.350 0.000 0.000 0.284 324 T C 0.693 175.365 174.700 -0.046 0.000 1.004 324 T CA 0.039 62.117 62.100 -0.037 0.000 1.021 324 T CB 1.302 70.153 68.868 -0.028 0.000 1.013 324 T HN 0.267 nan 8.240 nan 0.000 0.527 325 D N 0.893 121.266 120.400 -0.045 0.000 2.149 325 D HA -0.105 4.535 4.640 0.000 0.000 0.198 325 D C 1.862 178.133 176.300 -0.047 0.000 0.990 325 D CA 1.385 55.355 54.000 -0.050 0.000 0.839 325 D CB -0.122 40.651 40.800 -0.044 0.000 0.948 325 D HN 0.707 nan 8.370 nan 0.000 0.460 326 E N 0.736 120.913 120.200 -0.038 0.000 2.072 326 E HA -0.133 4.218 4.350 0.000 0.000 0.191 326 E C 2.199 178.777 176.600 -0.036 0.000 0.985 326 E CA 0.813 57.193 56.400 -0.033 0.000 0.801 326 E CB -0.196 29.488 29.700 -0.026 0.000 0.750 326 E HN 0.405 nan 8.360 nan 0.000 0.452 327 Q N -0.349 119.428 119.800 -0.037 0.000 2.123 327 Q HA -0.061 4.280 4.340 0.000 0.000 0.199 327 Q C 2.016 177.985 176.000 -0.051 0.000 0.966 327 Q CA 1.574 57.354 55.803 -0.038 0.000 0.845 327 Q CB -0.043 28.674 28.738 -0.035 0.000 0.907 327 Q HN 0.235 nan 8.270 nan 0.000 0.439 328 T N 0.806 115.322 114.554 -0.063 0.000 2.788 328 T HA -0.183 4.167 4.350 0.000 0.000 0.268 328 T C 1.717 176.371 174.700 -0.077 0.000 1.044 328 T CA 1.342 63.392 62.100 -0.083 0.000 1.139 328 T CB -0.131 68.679 68.868 -0.097 0.000 0.867 328 T HN 0.147 nan 8.240 nan 0.000 0.454 329 Q N 1.095 120.858 119.800 -0.061 0.000 2.226 329 Q HA -0.050 4.290 4.340 0.000 0.000 0.204 329 Q C 2.085 178.057 176.000 -0.046 0.000 0.975 329 Q CA 1.284 57.055 55.803 -0.053 0.000 0.866 329 Q CB -0.117 28.596 28.738 -0.042 0.000 0.915 329 Q HN 0.178 nan 8.270 nan 0.000 0.440 330 K N -0.324 120.050 120.400 -0.043 0.000 2.097 330 K HA -0.080 4.240 4.320 0.000 0.000 0.206 330 K C 2.016 178.594 176.600 -0.038 0.000 1.049 330 K CA 1.403 57.669 56.287 -0.034 0.000 0.933 330 K CB -0.839 31.643 32.500 -0.029 0.000 0.717 330 K HN 0.384 nan 8.250 nan 0.000 0.442 331 V N -1.007 118.876 119.914 -0.051 0.000 2.548 331 V HA -0.095 4.026 4.120 0.000 0.000 0.249 331 V C 2.056 178.112 176.094 -0.063 0.000 1.055 331 V CA 1.021 63.290 62.300 -0.052 0.000 1.065 331 V CB -0.420 31.367 31.823 -0.060 0.000 0.681 331 V HN 0.106 nan 8.190 nan 0.000 0.462 332 I N 0.807 121.330 120.570 -0.078 0.000 2.202 332 I HA -0.142 4.028 4.170 0.000 0.000 0.242 332 I C 2.457 178.543 176.117 -0.051 0.000 1.091 332 I CA 1.974 63.220 61.300 -0.090 0.000 1.368 332 I CB -0.580 37.369 38.000 -0.085 0.000 1.058 332 I HN 0.289 nan 8.210 nan 0.000 0.410 333 D N 1.251 121.631 120.400 -0.033 0.000 2.221 333 D HA -0.141 4.500 4.640 0.000 0.000 0.204 333 D C 2.007 178.302 176.300 -0.010 0.000 0.982 333 D CA 1.390 55.382 54.000 -0.014 0.000 0.857 333 D CB -0.052 40.740 40.800 -0.014 0.000 0.934 333 D HN 0.356 nan 8.370 nan 0.000 0.475 334 A N -0.084 122.725 122.820 -0.018 0.000 2.235 334 A HA 0.354 4.674 4.320 0.000 0.000 0.208 334 A C 1.729 179.306 177.584 -0.011 0.000 1.172 334 A CA 1.033 53.063 52.037 -0.012 0.000 0.786 334 A CB -0.233 18.757 19.000 -0.016 0.000 0.804 334 A HN 0.250 nan 8.150 nan 0.000 0.479 335 G N -2.024 106.765 108.800 -0.019 0.000 2.137 335 G HA2 -0.062 3.898 3.960 0.000 0.000 0.237 335 G HA3 -0.062 3.898 3.960 0.000 0.000 0.237 335 G C 1.065 175.940 174.900 -0.040 0.000 1.002 335 G CA 0.850 45.939 45.100 -0.018 0.000 0.702 335 G HN 1.342 nan 8.290 nan 0.000 0.515 336 A N -0.168 122.626 122.820 -0.042 0.000 1.933 336 A HA 0.178 4.498 4.320 0.000 0.000 0.218 336 A C 2.457 180.092 177.584 0.084 0.000 1.175 336 A CA 1.816 53.873 52.037 0.034 0.000 0.628 336 A CB -0.308 18.727 19.000 0.058 0.000 0.814 336 A HN 0.899 nan 8.150 nan 0.000 0.444 337 L N -0.805 120.313 121.223 -0.175 0.000 2.127 337 L HA -0.227 4.113 4.340 0.000 0.000 0.211 337 L C 2.929 179.720 176.870 -0.132 0.000 1.089 337 L CA 0.944 55.600 54.840 -0.308 0.000 0.757 337 L CB -0.570 41.025 42.059 -0.774 0.000 0.899 337 L HN 0.454 nan 8.230 nan 0.000 0.434 338 A N -0.492 122.258 122.820 -0.116 0.000 2.125 338 A HA -0.065 4.255 4.320 0.000 0.000 0.219 338 A C 2.120 179.731 177.584 0.046 0.000 1.156 338 A CA 1.269 53.347 52.037 0.069 0.000 0.671 338 A CB -0.421 18.640 19.000 0.102 0.000 0.794 338 A HN 0.277 nan 8.150 nan 0.000 0.459 339 V N -2.056 117.884 119.914 0.043 0.000 3.354 339 V HA -0.019 4.102 4.120 0.000 0.000 0.258 339 V C 1.853 177.835 176.094 -0.186 0.000 1.159 339 V CA 0.637 62.892 62.300 -0.076 0.000 1.125 339 V CB -0.952 30.786 31.823 -0.141 0.000 0.774 339 V HN 0.499 nan 8.190 nan 0.000 0.464 340 F N 0.703 120.547 119.950 -0.178 0.000 2.293 340 F HA 0.010 4.537 4.527 0.000 0.000 0.300 340 F C -0.075 175.475 175.800 -0.416 0.000 1.086 340 F CA 0.936 58.802 58.000 -0.224 0.000 1.375 340 F CB -1.862 37.034 39.000 -0.173 0.000 1.045 340 F HN 0.306 nan 8.300 nan 0.000 0.516 341 P HA -0.171 nan 4.420 nan 0.000 0.218 341 P C 1.919 178.810 177.300 -0.681 0.000 1.148 341 P CA 1.818 64.207 63.100 -1.185 0.000 0.822 341 P CB 0.015 31.308 31.700 -0.679 0.000 0.784 342 S N -1.231 114.263 115.700 -0.343 0.000 2.362 342 S HA -0.034 4.437 4.470 0.000 0.000 0.221 342 S C 1.786 176.261 174.600 -0.208 0.000 1.032 342 S CA 0.752 58.828 58.200 -0.208 0.000 0.973 342 S CB -1.002 62.106 63.200 -0.154 0.000 0.849 342 S HN -0.046 nan 8.310 nan 0.000 0.465 343 L N 1.202 122.248 121.223 -0.294 0.000 2.083 343 L HA -0.042 4.298 4.340 0.000 0.000 0.209 343 L C 2.221 178.985 176.870 -0.176 0.000 1.083 343 L CA 1.028 55.687 54.840 -0.302 0.000 0.752 343 L CB -0.544 41.157 42.059 -0.598 0.000 0.899 343 L HN 0.327 nan 8.230 nan 0.000 0.433 344 L N -0.449 120.686 121.223 -0.148 0.000 2.465 344 L HA -0.084 4.256 4.340 0.000 0.000 0.224 344 L C 1.772 178.665 176.870 0.038 0.000 1.145 344 L CA 1.180 56.014 54.840 -0.009 0.000 0.834 344 L CB -0.578 41.506 42.059 0.043 0.000 0.944 344 L HN 0.440 nan 8.230 nan 0.000 0.451 345 T N -5.914 108.638 114.554 -0.003 0.000 3.145 345 T HA 0.108 4.458 4.350 0.000 0.000 0.281 345 T C 0.470 175.179 174.700 0.015 0.000 1.003 345 T CA -0.521 61.612 62.100 0.054 0.000 0.901 345 T CB -0.392 68.543 68.868 0.113 0.000 1.112 345 T HN 0.051 nan 8.240 nan 0.000 0.535 346 N N 2.898 121.584 118.700 -0.022 0.000 2.356 346 N HA 0.122 4.862 4.740 0.000 0.000 0.252 346 N C -1.625 173.883 175.510 -0.005 0.000 1.241 346 N CA -1.097 51.936 53.050 -0.029 0.000 0.861 346 N CB 0.909 39.362 38.487 -0.056 0.000 1.075 346 N HN -0.056 nan 8.380 nan 0.000 0.461 347 P HA -0.133 nan 4.420 nan 0.000 0.218 347 P C -0.513 176.793 177.300 0.009 0.000 1.149 347 P CA 1.218 64.321 63.100 0.006 0.000 0.817 347 P CB 0.219 31.921 31.700 0.003 0.000 0.785 348 K N -0.006 120.396 120.400 0.002 0.000 2.292 348 K HA 0.090 4.410 4.320 0.000 0.000 0.290 348 K C 1.320 177.928 176.600 0.013 0.000 1.083 348 K CA 0.191 56.483 56.287 0.008 0.000 0.918 348 K CB -0.625 31.877 32.500 0.003 0.000 1.089 348 K HN -0.174 nan 8.250 nan 0.000 0.473 349 T N 2.887 117.454 114.554 0.022 0.000 2.680 349 T HA -0.283 4.068 4.350 0.000 0.000 0.268 349 T C 1.561 176.278 174.700 0.028 0.000 1.033 349 T CA 2.471 64.588 62.100 0.029 0.000 1.152 349 T CB -0.287 68.602 68.868 0.035 0.000 0.859 349 T HN 0.788 nan 8.240 nan 0.000 0.452 350 N N 0.042 118.757 118.700 0.026 0.000 2.120 350 N HA -0.054 4.686 4.740 0.000 0.000 0.188 350 N C 1.876 177.400 175.510 0.023 0.000 1.024 350 N CA 1.479 54.544 53.050 0.025 0.000 0.852 350 N CB -0.341 38.164 38.487 0.031 0.000 1.003 350 N HN 0.351 nan 8.380 nan 0.000 0.424 351 I N 0.885 121.460 120.570 0.008 0.000 2.226 351 I HA -0.207 3.963 4.170 0.000 0.000 0.245 351 I C 2.294 178.411 176.117 -0.000 0.000 1.100 351 I CA 1.193 62.485 61.300 -0.012 0.000 1.374 351 I CB -1.349 36.624 38.000 -0.046 0.000 1.057 351 I HN 0.467 nan 8.210 nan 0.000 0.413 352 Q N 0.688 120.495 119.800 0.011 0.000 2.084 352 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 352 Q C 2.356 178.399 176.000 0.072 0.000 0.978 352 Q CA 1.573 57.396 55.803 0.032 0.000 0.844 352 Q CB 0.062 28.821 28.738 0.035 0.000 0.898 352 Q HN 0.295 nan 8.270 nan 0.000 0.426 353 K N 0.171 120.612 120.400 0.068 0.000 2.025 353 K HA -0.161 4.159 4.320 0.000 0.000 0.207 353 K C 1.757 178.450 176.600 0.156 0.000 1.049 353 K CA 1.243 57.582 56.287 0.087 0.000 0.933 353 K CB 0.099 32.625 32.500 0.044 0.000 0.714 353 K HN 0.227 nan 8.250 nan 0.000 0.438 354 E N 0.240 120.527 120.200 0.144 0.000 2.106 354 E HA -0.149 4.201 4.350 0.000 0.000 0.192 354 E C 1.915 178.741 176.600 0.376 0.000 0.984 354 E CA 1.001 57.566 56.400 0.274 0.000 0.806 354 E CB -0.078 29.726 29.700 0.172 0.000 0.750 354 E HN 0.372 nan 8.360 nan 0.000 0.458 355 A N 0.920 123.872 122.820 0.221 0.000 1.898 355 A HA -0.117 4.203 4.320 0.000 0.000 0.216 355 A C 2.406 180.204 177.584 0.358 0.000 1.181 355 A CA 1.796 53.992 52.037 0.265 0.000 0.620 355 A CB -0.683 18.336 19.000 0.032 0.000 0.819 355 A HN 0.184 nan 8.150 nan 0.000 0.442 356 T N -1.663 113.046 114.554 0.259 0.000 2.904 356 T HA -0.141 4.209 4.350 0.000 0.000 0.267 356 T C 1.456 176.292 174.700 0.226 0.000 1.059 356 T CA 1.297 63.526 62.100 0.216 0.000 1.137 356 T CB -0.286 68.684 68.868 0.171 0.000 0.879 356 T HN 0.782 nan 8.240 nan 0.000 0.467 357 W N 2.233 123.576 121.300 0.072 0.000 2.379 357 W HA -0.128 4.533 4.660 0.000 0.000 0.307 357 W C 2.076 178.612 176.519 0.029 0.000 1.200 357 W CA 1.368 58.734 57.345 0.035 0.000 1.297 357 W CB -0.926 28.542 29.460 0.014 0.000 1.140 357 W HN 0.048 nan 8.180 nan 0.000 0.507 358 T N 1.723 116.208 114.554 -0.115 0.000 2.720 358 T HA -0.254 4.097 4.350 0.000 0.000 0.268 358 T C 1.870 176.392 174.700 -0.297 0.000 1.037 358 T CA 2.108 63.983 62.100 -0.375 0.000 1.144 358 T CB -0.413 68.463 68.868 0.013 0.000 0.864 358 T HN 0.054 nan 8.240 nan 0.000 0.444 359 M N 1.814 121.332 119.600 -0.137 0.000 2.117 359 M HA -0.076 4.404 4.480 0.000 0.000 0.262 359 M C 2.807 179.036 176.300 -0.117 0.000 1.065 359 M CA 1.684 56.878 55.300 -0.176 0.000 1.114 359 M CB -1.618 30.949 32.600 -0.054 0.000 1.361 359 M HN 0.448 nan 8.290 nan 0.000 0.408 360 S N 0.639 116.299 115.700 -0.065 0.000 2.383 360 S HA -0.152 4.318 4.470 0.000 0.000 0.229 360 S C 1.672 176.213 174.600 -0.099 0.000 1.030 360 S CA 1.475 59.667 58.200 -0.013 0.000 1.002 360 S CB -0.585 62.658 63.200 0.071 0.000 0.829 360 S HN 0.458 nan 8.310 nan 0.000 0.467 361 N N 1.374 119.922 118.700 -0.254 0.000 2.409 361 N HA 0.195 4.935 4.740 0.000 0.000 0.179 361 N C 1.644 177.035 175.510 -0.198 0.000 1.032 361 N CA 1.025 53.918 53.050 -0.262 0.000 0.898 361 N CB -0.314 37.923 38.487 -0.417 0.000 0.971 361 N HN 0.525 nan 8.380 nan 0.000 0.441 362 I N 0.764 121.212 120.570 -0.203 0.000 2.500 362 I HA -0.142 4.029 4.170 0.000 0.000 0.252 362 I C 1.788 177.843 176.117 -0.104 0.000 1.142 362 I CA 0.992 62.188 61.300 -0.173 0.000 1.451 362 I CB -0.309 37.553 38.000 -0.230 0.000 1.093 362 I HN 0.132 nan 8.210 nan 0.000 0.430 363 T N -1.318 113.203 114.554 -0.054 0.000 3.160 363 T HA 0.147 4.497 4.350 0.000 0.000 0.257 363 T C 1.416 176.112 174.700 -0.007 0.000 1.147 363 T CA 0.612 62.719 62.100 0.012 0.000 1.064 363 T CB -0.024 68.934 68.868 0.149 0.000 0.949 363 T HN 0.293 nan 8.240 nan 0.000 0.526 364 A N 0.598 123.398 122.820 -0.033 0.000 2.379 364 A HA 0.702 5.023 4.320 0.000 0.000 0.236 364 A C 1.307 178.861 177.584 -0.051 0.000 1.272 364 A CA -0.075 51.946 52.037 -0.027 0.000 0.886 364 A CB -0.460 18.519 19.000 -0.035 0.000 0.962 364 A HN 0.586 nan 8.150 nan 0.000 0.504 365 G N -0.461 108.298 108.800 -0.068 0.000 2.641 365 G HA2 0.456 4.416 3.960 0.000 0.000 0.239 365 G HA3 0.456 4.416 3.960 0.000 0.000 0.239 365 G C 0.050 174.908 174.900 -0.071 0.000 1.402 365 G CA -0.978 44.079 45.100 -0.072 0.000 1.046 365 G HN 0.443 nan 8.290 nan 0.000 0.565 366 R N -0.334 120.124 120.500 -0.069 0.000 2.774 366 R HA 0.084 4.425 4.340 0.000 0.000 0.269 366 R C 1.655 177.903 176.300 -0.086 0.000 1.068 366 R CA -0.022 56.038 56.100 -0.067 0.000 1.180 366 R CB 0.529 30.795 30.300 -0.057 0.000 1.077 366 R HN 0.581 nan 8.270 nan 0.000 0.513 367 Q N 1.066 120.814 119.800 -0.087 0.000 2.170 367 Q HA -0.185 4.155 4.340 0.000 0.000 0.203 367 Q C 1.400 177.341 176.000 -0.097 0.000 0.976 367 Q CA 1.713 57.450 55.803 -0.110 0.000 0.858 367 Q CB -0.019 28.663 28.738 -0.094 0.000 0.907 367 Q HN 0.688 nan 8.270 nan 0.000 0.433 368 D N 0.162 120.518 120.400 -0.072 0.000 2.312 368 D HA -0.188 4.452 4.640 0.000 0.000 0.211 368 D C 1.405 177.672 176.300 -0.055 0.000 0.964 368 D CA 0.874 54.839 54.000 -0.058 0.000 0.877 368 D CB 0.000 40.773 40.800 -0.045 0.000 0.924 368 D HN 0.366 nan 8.370 nan 0.000 0.515 369 Q N -0.015 119.745 119.800 -0.067 0.000 2.204 369 Q HA 0.154 4.494 4.340 0.000 0.000 0.198 369 Q C 2.555 178.513 176.000 -0.070 0.000 0.946 369 Q CA 0.260 56.024 55.803 -0.066 0.000 0.859 369 Q CB 0.366 29.058 28.738 -0.077 0.000 0.946 369 Q HN 0.311 nan 8.270 nan 0.000 0.474 370 I N 0.846 121.355 120.570 -0.101 0.000 2.493 370 I HA -0.246 3.924 4.170 0.000 0.000 0.254 370 I C 2.337 178.409 176.117 -0.075 0.000 1.160 370 I CA 0.848 62.069 61.300 -0.132 0.000 1.445 370 I CB 0.038 37.850 38.000 -0.313 0.000 1.086 370 I HN 0.201 nan 8.210 nan 0.000 0.433 371 Q N 0.589 120.345 119.800 -0.074 0.000 2.230 371 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 371 Q C 2.143 178.141 176.000 -0.003 0.000 0.963 371 Q CA 1.431 57.204 55.803 -0.050 0.000 0.866 371 Q CB 0.005 28.706 28.738 -0.063 0.000 0.931 371 Q HN 0.408 nan 8.270 nan 0.000 0.452 372 Q N -0.791 119.021 119.800 0.019 0.000 2.079 372 Q HA -0.067 4.274 4.340 0.000 0.000 0.200 372 Q C 2.123 178.223 176.000 0.166 0.000 0.974 372 Q CA 1.415 57.277 55.803 0.099 0.000 0.840 372 Q CB -0.211 28.566 28.738 0.064 0.000 0.898 372 Q HN 0.307 nan 8.270 nan 0.000 0.430 373 V N 0.652 120.619 119.914 0.088 0.000 2.332 373 V HA -0.217 3.903 4.120 0.000 0.000 0.248 373 V C 2.482 178.689 176.094 0.189 0.000 1.055 373 V CA 1.367 63.734 62.300 0.113 0.000 1.038 373 V CB -0.598 31.290 31.823 0.109 0.000 0.651 373 V HN 0.096 nan 8.190 nan 0.000 0.450 374 V N 0.557 120.569 119.914 0.163 0.000 2.307 374 V HA -0.280 3.841 4.120 0.000 0.000 0.245 374 V C 2.094 178.217 176.094 0.049 0.000 1.045 374 V CA 2.531 64.910 62.300 0.132 0.000 1.024 374 V CB -0.960 30.851 31.823 -0.020 0.000 0.651 374 V HN 0.644 nan 8.190 nan 0.000 0.449 375 N N -0.514 118.189 118.700 0.006 0.000 2.104 375 N HA -0.199 4.541 4.740 0.000 0.000 0.190 375 N C 1.578 177.039 175.510 -0.081 0.000 1.024 375 N CA 1.327 54.336 53.050 -0.068 0.000 0.853 375 N CB -0.238 38.180 38.487 -0.115 0.000 1.008 375 N HN 0.575 nan 8.380 nan 0.000 0.424 376 H N -0.306 118.792 119.070 0.048 0.000 2.562 376 H HA 0.134 4.690 4.556 0.001 0.000 0.272 376 H C 1.092 176.503 175.328 0.138 0.000 1.019 376 H CA 0.518 56.610 56.048 0.074 0.000 1.160 376 H CB -0.304 29.490 29.762 0.054 0.000 1.334 376 H HN 0.311 nan 8.280 nan 0.000 0.611 377 G N 0.661 109.590 108.800 0.215 0.000 2.249 377 G HA2 -0.301 3.659 3.960 0.000 0.000 0.273 377 G HA3 -0.301 3.659 3.960 0.000 0.000 0.273 377 G C 0.806 175.923 174.900 0.362 0.000 1.036 377 G CA 0.544 45.798 45.100 0.257 0.000 0.824 377 G HN 0.487 nan 8.290 nan 0.000 0.504 378 L N -0.662 120.769 121.223 0.346 0.000 2.558 378 L HA 0.070 4.410 4.340 0.000 0.000 0.225 378 L C 2.651 179.693 176.870 0.288 0.000 1.128 378 L CA 0.242 55.310 54.840 0.380 0.000 0.868 378 L CB -0.048 42.146 42.059 0.225 0.000 1.006 378 L HN 0.261 nan 8.230 nan 0.000 0.454 379 V N 0.569 120.616 119.914 0.223 0.000 2.358 379 V HA -0.126 3.994 4.120 0.000 0.000 0.246 379 V C -0.167 175.922 176.094 -0.008 0.000 1.047 379 V CA 1.728 64.074 62.300 0.076 0.000 1.035 379 V CB -1.375 30.480 31.823 0.053 0.000 0.658 379 V HN 0.324 nan 8.190 nan 0.000 0.452 380 P HA -0.129 nan 4.420 nan 0.000 0.218 380 P C 1.543 178.736 177.300 -0.178 0.000 1.148 380 P CA 1.493 64.495 63.100 -0.163 0.000 0.822 380 P CB -0.110 31.449 31.700 -0.235 0.000 0.784 381 F N -1.379 118.585 119.950 0.024 0.000 2.259 381 F HA -0.067 4.461 4.527 0.001 0.000 0.298 381 F C 2.192 178.007 175.800 0.024 0.000 1.088 381 F CA 1.081 59.103 58.000 0.036 0.000 1.358 381 F CB -1.074 37.969 39.000 0.072 0.000 1.040 381 F HN -0.176 nan 8.300 nan 0.000 0.505 382 L N -1.128 120.199 121.223 0.173 0.000 2.056 382 L HA -0.179 4.162 4.340 0.000 0.000 0.207 382 L C 2.390 179.271 176.870 0.018 0.000 1.078 382 L CA 0.634 55.525 54.840 0.085 0.000 0.749 382 L CB -0.770 41.306 42.059 0.028 0.000 0.901 382 L HN -0.074 nan 8.230 nan 0.000 0.433 383 V N 0.345 120.238 119.914 -0.035 0.000 2.332 383 V HA -0.257 3.864 4.120 0.000 0.000 0.248 383 V C 2.606 178.679 176.094 -0.036 0.000 1.055 383 V CA 2.133 64.393 62.300 -0.067 0.000 1.038 383 V CB -1.196 30.559 31.823 -0.113 0.000 0.651 383 V HN 0.592 nan 8.190 nan 0.000 0.450 384 G N -1.093 107.692 108.800 -0.025 0.000 2.418 384 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 384 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 384 G C 1.728 176.650 174.900 0.037 0.000 1.158 384 G CA 1.091 46.189 45.100 -0.003 0.000 0.771 384 G HN 0.379 nan 8.290 nan 0.000 0.545 385 V N 0.092 120.046 119.914 0.068 0.000 2.667 385 V HA 0.044 4.165 4.120 0.000 0.000 0.252 385 V C 2.611 178.728 176.094 0.038 0.000 1.065 385 V CA 1.312 63.654 62.300 0.070 0.000 1.083 385 V CB 0.123 32.005 31.823 0.099 0.000 0.692 385 V HN 0.326 nan 8.190 nan 0.000 0.468 386 L N -0.546 120.688 121.223 0.019 0.000 2.179 386 L HA -0.024 4.316 4.340 0.000 0.000 0.208 386 L C 2.469 179.343 176.870 0.006 0.000 1.096 386 L CA 2.018 56.858 54.840 0.001 0.000 0.779 386 L CB -0.272 41.774 42.059 -0.021 0.000 0.922 386 L HN 0.303 nan 8.230 nan 0.000 0.443 387 S N -1.039 114.664 115.700 0.005 0.000 2.377 387 S HA -0.043 4.428 4.470 0.000 0.000 0.223 387 S C 0.848 175.462 174.600 0.023 0.000 1.030 387 S CA 0.772 58.976 58.200 0.006 0.000 0.970 387 S CB -0.035 63.161 63.200 -0.006 0.000 0.830 387 S HN 0.326 nan 8.310 nan 0.000 0.473 388 K N 0.228 120.646 120.400 0.030 0.000 2.581 388 K HA 0.606 4.926 4.320 0.000 0.000 0.249 388 K C -1.640 174.990 176.600 0.049 0.000 0.966 388 K CA -0.249 56.062 56.287 0.040 0.000 0.811 388 K CB 1.624 34.144 32.500 0.033 0.000 1.223 388 K HN 0.219 nan 8.250 nan 0.000 0.438 389 A N 2.906 125.760 122.820 0.057 0.000 2.437 389 A HA 0.189 4.510 4.320 0.000 0.000 0.296 389 A C -1.813 175.815 177.584 0.074 0.000 0.974 389 A CA -0.837 51.236 52.037 0.059 0.000 0.592 389 A CB 0.413 19.444 19.000 0.052 0.000 1.405 389 A HN 0.837 nan 8.150 nan 0.000 0.478 390 D N -0.529 119.913 120.400 0.071 0.000 2.472 390 D HA 0.236 4.876 4.640 0.000 0.000 0.237 390 D C 0.953 177.319 176.300 0.110 0.000 1.141 390 D CA 0.505 54.561 54.000 0.094 0.000 0.875 390 D CB 0.144 40.988 40.800 0.073 0.000 1.192 390 D HN 0.567 nan 8.370 nan 0.000 0.450 391 F N 3.205 123.178 119.950 0.037 0.000 2.154 391 F HA -0.168 4.359 4.527 0.000 0.000 0.301 391 F C 1.846 177.678 175.800 0.053 0.000 1.087 391 F CA 1.563 59.587 58.000 0.039 0.000 1.274 391 F CB 0.030 39.050 39.000 0.033 0.000 1.009 391 F HN 0.412 nan 8.300 nan 0.000 0.485 392 K N -0.806 119.556 120.400 -0.065 0.000 2.097 392 K HA -0.122 4.199 4.320 0.000 0.000 0.206 392 K C 1.960 178.491 176.600 -0.115 0.000 1.049 392 K CA 1.779 57.993 56.287 -0.121 0.000 0.933 392 K CB -0.524 31.985 32.500 0.014 0.000 0.717 392 K HN 0.262 nan 8.250 nan 0.000 0.442 393 T N 1.498 116.020 114.554 -0.053 0.000 2.857 393 T HA -0.119 4.231 4.350 0.000 0.000 0.266 393 T C 1.839 176.517 174.700 -0.036 0.000 1.048 393 T CA 1.045 63.143 62.100 -0.003 0.000 1.139 393 T CB -0.044 68.843 68.868 0.032 0.000 0.874 393 T HN 0.274 nan 8.240 nan 0.000 0.455 394 Q N 0.635 120.367 119.800 -0.113 0.000 2.084 394 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 394 Q C 2.371 178.258 176.000 -0.190 0.000 0.978 394 Q CA 1.229 56.955 55.803 -0.129 0.000 0.844 394 Q CB -0.136 28.528 28.738 -0.123 0.000 0.898 394 Q HN 0.422 nan 8.270 nan 0.000 0.426 395 K N 0.583 120.763 120.400 -0.367 0.000 2.057 395 K HA -0.182 4.138 4.320 0.000 0.000 0.207 395 K C 1.838 178.467 176.600 0.048 0.000 1.049 395 K CA 1.163 57.290 56.287 -0.267 0.000 0.931 395 K CB 0.204 32.488 32.500 -0.361 0.000 0.714 395 K HN 0.053 nan 8.250 nan 0.000 0.440 396 E N 0.271 120.536 120.200 0.108 0.000 2.153 396 E HA -0.167 4.183 4.350 0.000 0.000 0.194 396 E C 1.878 178.607 176.600 0.215 0.000 0.988 396 E CA 1.127 57.680 56.400 0.255 0.000 0.811 396 E CB -0.202 29.625 29.700 0.213 0.000 0.746 396 E HN 0.435 nan 8.360 nan 0.000 0.466 397 A N 1.551 124.432 122.820 0.102 0.000 1.873 397 A HA -0.064 4.257 4.320 0.000 0.000 0.215 397 A C 2.462 180.079 177.584 0.055 0.000 1.186 397 A CA 1.994 54.074 52.037 0.072 0.000 0.616 397 A CB -0.663 18.354 19.000 0.029 0.000 0.823 397 A HN 0.267 nan 8.150 nan 0.000 0.442 398 A N -1.168 121.651 122.820 -0.002 0.000 1.892 398 A HA -0.236 4.084 4.320 0.000 0.000 0.218 398 A C 2.025 179.583 177.584 -0.043 0.000 1.188 398 A CA 1.585 53.574 52.037 -0.079 0.000 0.631 398 A CB -1.084 17.802 19.000 -0.190 0.000 0.822 398 A HN 0.760 nan 8.150 nan 0.000 0.447 399 W N -0.521 120.784 121.300 0.009 0.000 2.335 399 W HA -0.118 4.543 4.660 0.001 0.000 0.311 399 W C 2.849 179.387 176.519 0.032 0.000 1.213 399 W CA 1.566 58.928 57.345 0.029 0.000 1.274 399 W CB -0.259 29.231 29.460 0.050 0.000 1.148 399 W HN 0.413 nan 8.180 nan 0.000 0.498 400 A N 0.044 123.032 122.820 0.280 0.000 1.948 400 A HA -0.225 4.095 4.320 0.000 0.000 0.220 400 A C 1.823 179.500 177.584 0.155 0.000 1.177 400 A CA 1.865 54.009 52.037 0.178 0.000 0.636 400 A CB -0.778 18.294 19.000 0.120 0.000 0.815 400 A HN 0.202 nan 8.150 nan 0.000 0.449 401 I N -0.872 119.751 120.570 0.088 0.000 2.233 401 I HA -0.139 4.031 4.170 0.000 0.000 0.243 401 I C 2.644 178.813 176.117 0.088 0.000 1.093 401 I CA 2.054 63.371 61.300 0.028 0.000 1.380 401 I CB -1.838 36.132 38.000 -0.049 0.000 1.067 401 I HN 0.357 nan 8.210 nan 0.000 0.413 402 T N 1.340 115.935 114.554 0.068 0.000 2.788 402 T HA -0.146 4.204 4.350 0.000 0.000 0.268 402 T C 1.721 176.507 174.700 0.144 0.000 1.044 402 T CA 1.652 63.791 62.100 0.066 0.000 1.139 402 T CB -0.114 68.738 68.868 -0.026 0.000 0.867 402 T HN 0.240 nan 8.240 nan 0.000 0.454 403 N N 0.008 118.830 118.700 0.203 0.000 2.106 403 N HA -0.052 4.688 4.740 0.000 0.000 0.188 403 N C 1.506 177.112 175.510 0.159 0.000 1.029 403 N CA 1.172 54.330 53.050 0.180 0.000 0.848 403 N CB -0.759 37.830 38.487 0.170 0.000 1.007 403 N HN 0.514 nan 8.380 nan 0.000 0.423 404 Y N 2.242 122.567 120.300 0.042 0.000 2.081 404 Y HA -0.265 4.285 4.550 0.000 0.000 0.280 404 Y C 2.598 178.508 175.900 0.017 0.000 1.163 404 Y CA 2.457 60.572 58.100 0.024 0.000 1.135 404 Y CB -0.913 37.562 38.460 0.025 0.000 0.970 404 Y HN 0.209 nan 8.280 nan 0.000 0.498 405 T N -3.259 111.497 114.554 0.337 0.000 2.867 405 T HA -0.180 4.170 4.350 0.000 0.000 0.268 405 T C 2.183 176.936 174.700 0.089 0.000 1.057 405 T CA 1.384 63.606 62.100 0.203 0.000 1.136 405 T CB -0.893 68.051 68.868 0.126 0.000 0.874 405 T HN 0.329 nan 8.240 nan 0.000 0.466 406 S N 0.939 116.688 115.700 0.081 0.000 2.368 406 S HA 0.141 4.611 4.470 0.000 0.000 0.224 406 S C 2.082 176.693 174.600 0.018 0.000 1.029 406 S CA 1.205 59.437 58.200 0.053 0.000 0.988 406 S CB -0.805 62.438 63.200 0.072 0.000 0.838 406 S HN 0.765 nan 8.310 nan 0.000 0.462 407 G N -0.352 108.441 108.800 -0.012 0.000 3.062 407 G HA2 0.445 4.405 3.960 0.000 0.000 0.228 407 G HA3 0.445 4.405 3.960 0.000 0.000 0.228 407 G C 0.493 175.333 174.900 -0.101 0.000 1.094 407 G CA 0.267 45.338 45.100 -0.047 0.000 0.782 407 G HN 0.610 nan 8.290 nan 0.000 0.541 408 G N 0.657 109.368 108.800 -0.149 0.000 2.569 408 G HA2 0.420 4.381 3.960 0.000 0.000 0.249 408 G HA3 0.420 4.381 3.960 0.000 0.000 0.249 408 G C 0.588 175.419 174.900 -0.115 0.000 1.216 408 G CA 0.484 45.444 45.100 -0.233 0.000 0.845 408 G HN 0.357 nan 8.290 nan 0.000 0.568 409 T N -1.784 112.705 114.554 -0.110 0.000 2.788 409 T HA 0.188 4.538 4.350 0.000 0.000 0.287 409 T C 1.610 176.293 174.700 -0.027 0.000 1.007 409 T CA -0.213 61.853 62.100 -0.056 0.000 1.005 409 T CB 1.188 70.024 68.868 -0.053 0.000 1.012 409 T HN 0.178 nan 8.240 nan 0.000 0.530 410 V N 0.755 120.660 119.914 -0.015 0.000 2.295 410 V HA -0.137 3.984 4.120 0.000 0.000 0.246 410 V C 2.880 178.973 176.094 -0.000 0.000 1.049 410 V CA 2.246 64.542 62.300 -0.006 0.000 1.024 410 V CB -1.076 30.742 31.823 -0.008 0.000 0.648 410 V HN 1.036 nan 8.190 nan 0.000 0.447 411 E N -0.255 119.944 120.200 -0.000 0.000 2.118 411 E HA -0.298 4.052 4.350 0.000 0.000 0.195 411 E C 2.314 178.949 176.600 0.057 0.000 0.992 411 E CA 1.661 58.069 56.400 0.013 0.000 0.804 411 E CB -0.044 29.656 29.700 0.001 0.000 0.741 411 E HN 0.688 nan 8.360 nan 0.000 0.458 412 Q N -0.190 119.643 119.800 0.056 0.000 2.172 412 Q HA -0.085 4.256 4.340 0.000 0.000 0.200 412 Q C 2.216 178.410 176.000 0.323 0.000 0.964 412 Q CA 1.021 56.916 55.803 0.153 0.000 0.855 412 Q CB 0.077 28.789 28.738 -0.043 0.000 0.918 412 Q HN 0.394 nan 8.270 nan 0.000 0.444 413 I N -0.313 120.370 120.570 0.188 0.000 2.546 413 I HA -0.183 3.987 4.170 0.000 0.000 0.255 413 I C 1.993 178.128 176.117 0.030 0.000 1.163 413 I CA 0.477 61.884 61.300 0.178 0.000 1.457 413 I CB -0.015 38.032 38.000 0.078 0.000 1.092 413 I HN 0.034 nan 8.210 nan 0.000 0.434 414 V N 0.372 120.272 119.914 -0.023 0.000 2.379 414 V HA -0.300 3.821 4.120 0.000 0.000 0.245 414 V C 2.323 178.254 176.094 -0.271 0.000 1.044 414 V CA 1.782 63.960 62.300 -0.204 0.000 1.036 414 V CB -0.654 31.047 31.823 -0.204 0.000 0.664 414 V HN 0.411 nan 8.190 nan 0.000 0.453 415 Y N 0.702 120.919 120.300 -0.139 0.000 2.165 415 Y HA -0.269 4.281 4.550 0.000 0.000 0.286 415 Y C 2.203 178.089 175.900 -0.024 0.000 1.155 415 Y CA 1.951 60.036 58.100 -0.026 0.000 1.164 415 Y CB -0.416 38.085 38.460 0.068 0.000 0.978 415 Y HN 0.231 nan 8.280 nan 0.000 0.513 416 L N -0.455 120.687 121.223 -0.136 0.000 2.042 416 L HA -0.175 4.165 4.340 0.000 0.000 0.210 416 L C 2.262 178.962 176.870 -0.284 0.000 1.076 416 L CA 1.871 56.518 54.840 -0.321 0.000 0.749 416 L CB -1.026 40.841 42.059 -0.320 0.000 0.893 416 L HN 0.149 nan 8.230 nan 0.000 0.432 417 V N -0.591 119.194 119.914 -0.215 0.000 2.343 417 V HA -0.336 3.785 4.120 0.000 0.000 0.247 417 V C 2.344 178.380 176.094 -0.097 0.000 1.051 417 V CA 2.200 64.396 62.300 -0.174 0.000 1.036 417 V CB -0.981 30.729 31.823 -0.188 0.000 0.654 417 V HN 0.620 nan 8.190 nan 0.000 0.451 418 H N -1.901 117.069 119.070 -0.167 0.000 2.518 418 H HA -0.150 4.406 4.556 0.000 0.000 0.289 418 H C 2.107 177.301 175.328 -0.224 0.000 1.051 418 H CA 1.155 57.110 56.048 -0.154 0.000 1.280 418 H CB 0.011 29.719 29.762 -0.090 0.000 1.380 418 H HN 0.413 nan 8.280 nan 0.000 0.566 419 C N -0.105 119.060 119.300 -0.226 0.000 2.618 419 C HA 0.205 4.665 4.460 0.000 0.000 0.264 419 C C 1.716 176.600 174.990 -0.177 0.000 1.334 419 C CA 0.748 59.602 59.018 -0.273 0.000 1.731 419 C CB -0.525 26.953 27.740 -0.437 0.000 1.852 419 C HN 0.855 nan 8.230 nan 0.000 0.566 420 G N 0.772 109.489 108.800 -0.138 0.000 2.164 420 G HA2 -0.225 3.735 3.960 0.000 0.000 0.212 420 G HA3 -0.225 3.735 3.960 0.000 0.000 0.212 420 G C 0.461 175.293 174.900 -0.112 0.000 1.031 420 G CA 0.259 45.295 45.100 -0.106 0.000 0.730 420 G HN 0.356 nan 8.290 nan 0.000 0.501 421 I N 0.497 120.983 120.570 -0.139 0.000 2.394 421 I HA -0.008 4.162 4.170 0.000 0.000 0.251 421 I C 2.473 178.528 176.117 -0.104 0.000 1.136 421 I CA 0.920 62.139 61.300 -0.135 0.000 1.425 421 I CB -0.147 37.748 38.000 -0.176 0.000 1.079 421 I HN 0.361 nan 8.210 nan 0.000 0.425 422 I N 0.494 121.004 120.570 -0.100 0.000 2.091 422 I HA -0.348 3.823 4.170 0.000 0.000 0.239 422 I C 2.467 178.551 176.117 -0.055 0.000 1.061 422 I CA 1.787 63.037 61.300 -0.082 0.000 1.317 422 I CB -1.521 36.428 38.000 -0.084 0.000 1.031 422 I HN 0.408 nan 8.210 nan 0.000 0.401 423 E N 1.169 121.341 120.200 -0.047 0.000 2.023 423 E HA -0.195 4.156 4.350 0.000 0.000 0.196 423 E C -0.571 176.013 176.600 -0.027 0.000 1.003 423 E CA 1.879 58.260 56.400 -0.031 0.000 0.809 423 E CB -0.744 28.939 29.700 -0.028 0.000 0.755 423 E HN 0.290 nan 8.360 nan 0.000 0.449 424 P HA -0.169 nan 4.420 nan 0.000 0.219 424 P C 1.635 178.922 177.300 -0.022 0.000 1.146 424 P CA 0.897 63.983 63.100 -0.023 0.000 0.808 424 P CB -0.003 31.679 31.700 -0.030 0.000 0.779 425 L N -1.048 120.153 121.223 -0.037 0.000 2.056 425 L HA -0.074 4.267 4.340 0.000 0.000 0.207 425 L C 2.575 179.432 176.870 -0.022 0.000 1.078 425 L CA 1.872 56.689 54.840 -0.038 0.000 0.749 425 L CB -1.182 40.843 42.059 -0.056 0.000 0.901 425 L HN -0.171 nan 8.230 nan 0.000 0.433 426 M N -0.674 118.915 119.600 -0.017 0.000 2.117 426 M HA -0.164 4.317 4.480 0.000 0.000 0.262 426 M C 2.011 178.311 176.300 -0.000 0.000 1.065 426 M CA 1.269 56.566 55.300 -0.005 0.000 1.114 426 M CB -1.624 30.975 32.600 -0.002 0.000 1.361 426 M HN 0.302 nan 8.290 nan 0.000 0.408 427 N N 0.796 119.497 118.700 0.001 0.000 2.137 427 N HA -0.117 4.623 4.740 0.000 0.000 0.190 427 N C 1.841 177.364 175.510 0.022 0.000 1.017 427 N CA 1.133 54.189 53.050 0.010 0.000 0.859 427 N CB -0.475 38.018 38.487 0.011 0.000 1.002 427 N HN 0.399 nan 8.380 nan 0.000 0.428 428 L N 0.567 121.806 121.223 0.027 0.000 2.291 428 L HA -0.000 4.340 4.340 0.000 0.000 0.214 428 L C 1.937 178.832 176.870 0.040 0.000 1.120 428 L CA 0.229 55.102 54.840 0.056 0.000 0.799 428 L CB -0.258 41.833 42.059 0.053 0.000 0.925 428 L HN 0.133 nan 8.230 nan 0.000 0.446 429 L N -0.794 120.435 121.223 0.011 0.000 2.349 429 L HA -0.174 4.166 4.340 0.000 0.000 0.220 429 L C 1.972 178.838 176.870 -0.007 0.000 1.130 429 L CA 0.678 55.514 54.840 -0.007 0.000 0.791 429 L CB -0.286 41.766 42.059 -0.012 0.000 0.918 429 L HN 0.193 nan 8.230 nan 0.000 0.444 430 S N -0.354 115.350 115.700 0.006 0.000 2.631 430 S HA 0.241 4.711 4.470 0.000 0.000 0.217 430 S C 0.822 175.420 174.600 -0.004 0.000 0.958 430 S CA -0.092 58.109 58.200 0.002 0.000 0.920 430 S CB -0.046 63.156 63.200 0.003 0.000 0.776 430 S HN 0.342 nan 8.310 nan 0.000 0.517 431 A N 2.094 124.919 122.820 0.008 0.000 2.354 431 A HA 0.404 4.724 4.320 0.000 0.000 0.269 431 A C 0.285 177.845 177.584 -0.040 0.000 1.109 431 A CA -0.466 51.558 52.037 -0.021 0.000 0.800 431 A CB 0.349 19.409 19.000 0.100 0.000 1.045 431 A HN 0.077 nan 8.150 nan 0.000 0.489 432 K N 2.953 123.288 120.400 -0.107 0.000 2.142 432 K HA 0.219 4.539 4.320 0.000 0.000 0.250 432 K C -0.919 175.650 176.600 -0.052 0.000 1.148 432 K CA 0.245 56.497 56.287 -0.058 0.000 1.040 432 K CB -0.114 32.339 32.500 -0.079 0.000 1.569 432 K HN 0.713 nan 8.250 nan 0.000 0.361 433 D N 1.288 121.706 120.400 0.029 0.000 2.251 433 D HA -0.071 4.569 4.640 0.000 0.000 0.210 433 D C 0.925 177.275 176.300 0.083 0.000 1.304 433 D CA 0.010 54.065 54.000 0.091 0.000 0.912 433 D CB 0.942 41.871 40.800 0.215 0.000 1.553 433 D HN 0.328 nan 8.370 nan 0.000 0.526 434 T N 1.499 116.107 114.554 0.090 0.000 2.759 434 T HA -0.236 4.114 4.350 0.000 0.000 0.269 434 T C 1.716 176.431 174.700 0.024 0.000 1.042 434 T CA 1.293 63.431 62.100 0.064 0.000 1.140 434 T CB 0.128 69.076 68.868 0.133 0.000 0.864 434 T HN 0.189 nan 8.240 nan 0.000 0.455 435 K N 1.179 121.615 120.400 0.059 0.000 2.026 435 K HA 0.123 4.443 4.320 0.000 0.000 0.208 435 K C 2.171 178.744 176.600 -0.046 0.000 1.048 435 K CA 1.451 57.764 56.287 0.043 0.000 0.929 435 K CB -0.957 31.614 32.500 0.119 0.000 0.713 435 K HN 0.571 nan 8.250 nan 0.000 0.439 436 I N 0.025 120.589 120.570 -0.010 0.000 2.252 436 I HA -0.225 3.945 4.170 0.000 0.000 0.245 436 I C 1.779 177.822 176.117 -0.124 0.000 1.102 436 I CA 1.212 62.455 61.300 -0.095 0.000 1.385 436 I CB -0.003 38.021 38.000 0.041 0.000 1.064 436 I HN 0.177 nan 8.210 nan 0.000 0.414 437 I N 0.679 121.205 120.570 -0.073 0.000 2.208 437 I HA -0.364 3.807 4.170 0.000 0.000 0.245 437 I C 2.536 178.578 176.117 -0.125 0.000 1.097 437 I CA 1.567 62.805 61.300 -0.103 0.000 1.363 437 I CB -0.545 37.364 38.000 -0.152 0.000 1.051 437 I HN 0.362 nan 8.210 nan 0.000 0.413 438 Q N 0.140 119.864 119.800 -0.127 0.000 2.061 438 Q HA -0.182 4.158 4.340 0.000 0.000 0.204 438 Q C 2.419 178.316 176.000 -0.171 0.000 0.984 438 Q CA 1.690 57.421 55.803 -0.121 0.000 0.846 438 Q CB -0.297 28.386 28.738 -0.091 0.000 0.902 438 Q HN 0.380 nan 8.270 nan 0.000 0.421 439 V N 1.168 120.907 119.914 -0.292 0.000 2.287 439 V HA -0.278 3.842 4.120 0.000 0.000 0.248 439 V C 2.159 178.099 176.094 -0.258 0.000 1.053 439 V CA 1.755 63.794 62.300 -0.435 0.000 1.027 439 V CB -0.531 30.798 31.823 -0.824 0.000 0.646 439 V HN 0.365 nan 8.190 nan 0.000 0.447 440 I N -0.530 119.921 120.570 -0.197 0.000 2.226 440 I HA -0.256 3.914 4.170 0.000 0.000 0.245 440 I C 2.367 178.445 176.117 -0.066 0.000 1.100 440 I CA 1.553 62.783 61.300 -0.117 0.000 1.374 440 I CB -0.401 37.547 38.000 -0.086 0.000 1.057 440 I HN 0.263 nan 8.210 nan 0.000 0.413 441 L N 0.223 121.411 121.223 -0.058 0.000 2.046 441 L HA -0.250 4.091 4.340 0.000 0.000 0.208 441 L C 2.298 179.173 176.870 0.009 0.000 1.077 441 L CA 1.327 56.163 54.840 -0.007 0.000 0.747 441 L CB -0.725 41.326 42.059 -0.013 0.000 0.896 441 L HN 0.298 nan 8.230 nan 0.000 0.432 442 D N 0.168 120.551 120.400 -0.028 0.000 2.104 442 D HA -0.207 4.434 4.640 0.000 0.000 0.194 442 D C 2.179 178.484 176.300 0.009 0.000 0.994 442 D CA 1.716 55.711 54.000 -0.008 0.000 0.830 442 D CB 0.101 40.878 40.800 -0.039 0.000 0.959 442 D HN 0.346 nan 8.370 nan 0.000 0.452 443 A N 1.467 124.275 122.820 -0.021 0.000 1.883 443 A HA -0.179 4.141 4.320 0.000 0.000 0.217 443 A C 2.216 179.797 177.584 -0.005 0.000 1.186 443 A CA 1.084 53.114 52.037 -0.013 0.000 0.624 443 A CB -0.564 18.411 19.000 -0.041 0.000 0.822 443 A HN 0.162 nan 8.150 nan 0.000 0.444 444 I N 0.144 120.720 120.570 0.010 0.000 2.151 444 I HA -0.224 3.946 4.170 0.000 0.000 0.243 444 I C 2.753 178.936 176.117 0.110 0.000 1.080 444 I CA 2.033 63.357 61.300 0.041 0.000 1.339 444 I CB -1.715 36.360 38.000 0.126 0.000 1.039 444 I HN 0.441 nan 8.210 nan 0.000 0.409 445 S N 1.333 117.116 115.700 0.139 0.000 2.359 445 S HA -0.192 4.278 4.470 0.000 0.000 0.224 445 S C 1.848 176.517 174.600 0.114 0.000 1.035 445 S CA 1.668 59.970 58.200 0.170 0.000 1.018 445 S CB -0.274 63.010 63.200 0.140 0.000 0.876 445 S HN 0.445 nan 8.310 nan 0.000 0.448 446 N N 1.331 120.070 118.700 0.065 0.000 2.166 446 N HA -0.038 4.702 4.740 0.000 0.000 0.186 446 N C 1.849 177.366 175.510 0.011 0.000 1.019 446 N CA 1.639 54.717 53.050 0.046 0.000 0.856 446 N CB -0.496 38.017 38.487 0.044 0.000 0.993 446 N HN 0.515 nan 8.380 nan 0.000 0.426 447 I N 0.063 120.608 120.570 -0.042 0.000 2.202 447 I HA -0.225 3.946 4.170 0.000 0.000 0.242 447 I C 1.895 177.900 176.117 -0.187 0.000 1.091 447 I CA 0.897 62.118 61.300 -0.131 0.000 1.368 447 I CB -0.374 37.495 38.000 -0.219 0.000 1.058 447 I HN -0.097 nan 8.210 nan 0.000 0.410 448 F N 1.415 121.215 119.950 -0.251 0.000 2.120 448 F HA -0.277 4.250 4.527 0.000 0.000 0.300 448 F C 2.725 178.357 175.800 -0.280 0.000 1.095 448 F CA 1.671 59.386 58.000 -0.474 0.000 1.249 448 F CB -0.676 37.671 39.000 -1.088 0.000 0.995 448 F HN 0.109 nan 8.300 nan 0.000 0.480 449 Q N -0.925 118.916 119.800 0.068 0.000 2.226 449 Q HA -0.174 4.167 4.340 0.000 0.000 0.204 449 Q C 2.371 178.403 176.000 0.054 0.000 0.975 449 Q CA 1.268 57.133 55.803 0.102 0.000 0.866 449 Q CB -0.312 28.486 28.738 0.100 0.000 0.915 449 Q HN 0.451 nan 8.270 nan 0.000 0.440 450 A N 0.354 123.179 122.820 0.008 0.000 1.930 450 A HA 0.058 4.378 4.320 0.000 0.000 0.215 450 A C 2.150 179.725 177.584 -0.014 0.000 1.176 450 A CA 1.152 53.185 52.037 -0.007 0.000 0.632 450 A CB -0.382 18.603 19.000 -0.026 0.000 0.819 450 A HN 0.366 nan 8.150 nan 0.000 0.445 451 A N -0.350 122.448 122.820 -0.036 0.000 2.066 451 A HA -0.016 4.304 4.320 0.000 0.000 0.218 451 A C 1.844 179.449 177.584 0.036 0.000 1.157 451 A CA 1.656 53.676 52.037 -0.029 0.000 0.670 451 A CB -0.337 18.610 19.000 -0.089 0.000 0.804 451 A HN 0.572 nan 8.150 nan 0.000 0.453 452 E N 0.631 120.876 120.200 0.075 0.000 2.106 452 E HA -0.121 4.229 4.350 0.000 0.000 0.192 452 E C 1.496 178.137 176.600 0.068 0.000 0.984 452 E CA 1.283 57.753 56.400 0.116 0.000 0.806 452 E CB -0.114 29.688 29.700 0.169 0.000 0.750 452 E HN 0.569 nan 8.360 nan 0.000 0.458 453 K N -0.270 120.158 120.400 0.047 0.000 2.551 453 K HA 0.056 4.376 4.320 0.000 0.000 0.192 453 K C 0.670 177.283 176.600 0.021 0.000 1.027 453 K CA 0.309 56.615 56.287 0.031 0.000 1.059 453 K CB 0.341 32.855 32.500 0.022 0.000 0.831 453 K HN 0.240 nan 8.250 nan 0.000 0.508 454 L N -1.410 119.826 121.223 0.022 0.000 3.360 454 L HA 0.203 4.543 4.340 0.000 0.000 0.303 454 L C 0.904 177.786 176.870 0.021 0.000 1.218 454 L CA -0.114 54.736 54.840 0.015 0.000 1.059 454 L CB 0.986 43.047 42.059 0.004 0.000 1.468 454 L HN 0.280 nan 8.230 nan 0.000 0.614 455 G N 0.660 109.479 108.800 0.032 0.000 2.175 455 G HA2 -0.289 3.672 3.960 0.000 0.000 0.265 455 G HA3 -0.289 3.672 3.960 0.000 0.000 0.265 455 G C 0.724 175.645 174.900 0.036 0.000 0.979 455 G CA 0.636 45.758 45.100 0.036 0.000 0.663 455 G HN 0.437 nan 8.290 nan 0.000 0.533 456 E N 0.424 120.640 120.200 0.028 0.000 2.489 456 E HA -0.009 4.341 4.350 0.000 0.000 0.193 456 E C 2.450 179.065 176.600 0.024 0.000 1.057 456 E CA 0.952 57.362 56.400 0.016 0.000 0.866 456 E CB -0.286 29.410 29.700 -0.007 0.000 0.916 456 E HN 0.782 nan 8.360 nan 0.000 0.500 457 T N -0.344 114.251 114.554 0.069 0.000 2.685 457 T HA -0.297 4.053 4.350 0.000 0.000 0.268 457 T C 1.855 176.644 174.700 0.148 0.000 1.034 457 T CA 1.711 63.903 62.100 0.153 0.000 1.149 457 T CB -0.182 68.820 68.868 0.223 0.000 0.860 457 T HN 0.259 nan 8.240 nan 0.000 0.449 458 E N 1.468 121.720 120.200 0.086 0.000 2.017 458 E HA -0.193 4.158 4.350 0.000 0.000 0.193 458 E C 2.327 178.961 176.600 0.057 0.000 0.997 458 E CA 1.143 57.582 56.400 0.066 0.000 0.804 458 E CB -0.124 29.605 29.700 0.049 0.000 0.757 458 E HN 0.532 nan 8.360 nan 0.000 0.448 459 K N 0.197 120.617 120.400 0.033 0.000 2.127 459 K HA -0.220 4.101 4.320 0.000 0.000 0.208 459 K C 2.275 178.870 176.600 -0.008 0.000 1.047 459 K CA 1.224 57.521 56.287 0.017 0.000 0.927 459 K CB -0.284 32.220 32.500 0.007 0.000 0.716 459 K HN 0.177 nan 8.250 nan 0.000 0.450 460 L N 1.278 122.470 121.223 -0.052 0.000 2.027 460 L HA -0.142 4.198 4.340 0.000 0.000 0.206 460 L C 2.104 178.926 176.870 -0.080 0.000 1.074 460 L CA 1.708 56.440 54.840 -0.179 0.000 0.745 460 L CB -0.542 41.242 42.059 -0.459 0.000 0.898 460 L HN 0.002 nan 8.230 nan 0.000 0.433 461 S N -0.192 115.561 115.700 0.088 0.000 2.374 461 S HA -0.223 4.248 4.470 0.000 0.000 0.227 461 S C 1.883 176.643 174.600 0.268 0.000 1.037 461 S CA 1.863 60.205 58.200 0.236 0.000 1.024 461 S CB -0.532 62.703 63.200 0.059 0.000 0.861 461 S HN 0.359 nan 8.310 nan 0.000 0.456 462 I N 1.778 122.436 120.570 0.147 0.000 2.113 462 I HA -0.191 3.979 4.170 0.000 0.000 0.238 462 I C 2.447 178.618 176.117 0.090 0.000 1.070 462 I CA 1.431 62.801 61.300 0.118 0.000 1.332 462 I CB -0.620 37.423 38.000 0.071 0.000 1.044 462 I HN 0.258 nan 8.210 nan 0.000 0.402 463 M N -0.400 119.227 119.600 0.045 0.000 2.089 463 M HA -0.285 4.195 4.480 0.000 0.000 0.257 463 M C 2.368 178.688 176.300 0.033 0.000 1.071 463 M CA 2.086 57.395 55.300 0.015 0.000 1.096 463 M CB -0.671 31.910 32.600 -0.032 0.000 1.330 463 M HN 0.205 nan 8.290 nan 0.000 0.403 464 I N -0.742 119.867 120.570 0.065 0.000 2.493 464 I HA -0.240 3.930 4.170 0.000 0.000 0.254 464 I C 2.300 178.490 176.117 0.122 0.000 1.160 464 I CA 1.154 62.518 61.300 0.105 0.000 1.445 464 I CB -0.435 37.698 38.000 0.221 0.000 1.086 464 I HN 0.391 nan 8.210 nan 0.000 0.433 465 E N 0.943 121.238 120.200 0.158 0.000 2.051 465 E HA -0.173 4.177 4.350 0.000 0.000 0.189 465 E C 2.075 178.711 176.600 0.059 0.000 0.979 465 E CA 0.685 57.154 56.400 0.114 0.000 0.803 465 E CB 0.179 29.978 29.700 0.165 0.000 0.761 465 E HN 0.369 nan 8.360 nan 0.000 0.451 466 E N -0.162 120.071 120.200 0.055 0.000 2.097 466 E HA -0.199 4.151 4.350 0.000 0.000 0.196 466 E C 1.215 177.826 176.600 0.018 0.000 1.000 466 E CA 1.307 57.725 56.400 0.031 0.000 0.804 466 E CB -0.170 29.544 29.700 0.024 0.000 0.740 466 E HN 0.384 nan 8.360 nan 0.000 0.454 467 C N -0.151 119.159 119.300 0.016 0.000 2.683 467 C HA 0.715 5.175 4.460 0.000 0.000 0.371 467 C C 1.291 176.284 174.990 0.006 0.000 1.330 467 C CA -0.533 58.489 59.018 0.007 0.000 1.664 467 C CB -0.672 27.068 27.740 -0.000 0.000 2.051 467 C HN 0.422 nan 8.230 nan 0.000 0.544 468 G N 1.496 110.299 108.800 0.004 0.000 2.380 468 G HA2 -0.178 3.782 3.960 0.000 0.000 0.298 468 G HA3 -0.178 3.782 3.960 0.000 0.000 0.298 468 G C 1.066 175.962 174.900 -0.007 0.000 0.989 468 G CA 0.769 45.867 45.100 -0.005 0.000 0.836 468 G HN 1.151 nan 8.290 nan 0.000 0.511 469 G N -0.118 108.685 108.800 0.005 0.000 2.454 469 G HA2 0.062 4.022 3.960 0.000 0.000 0.214 469 G HA3 0.062 4.022 3.960 0.000 0.000 0.214 469 G C 1.662 176.548 174.900 -0.023 0.000 1.217 469 G CA 1.167 46.275 45.100 0.015 0.000 0.799 469 G HN 0.797 nan 8.290 nan 0.000 0.538 470 L N 1.126 122.301 121.223 -0.080 0.000 2.127 470 L HA -0.041 4.300 4.340 0.000 0.000 0.211 470 L C 2.112 178.866 176.870 -0.194 0.000 1.089 470 L CA 2.382 57.048 54.840 -0.290 0.000 0.757 470 L CB -0.619 41.119 42.059 -0.535 0.000 0.899 470 L HN 0.269 nan 8.230 nan 0.000 0.434 471 D N -0.928 119.406 120.400 -0.111 0.000 2.265 471 D HA -0.188 4.452 4.640 0.000 0.000 0.208 471 D C 1.930 178.198 176.300 -0.053 0.000 0.977 471 D CA 1.237 55.193 54.000 -0.073 0.000 0.871 471 D CB 0.156 40.930 40.800 -0.043 0.000 0.925 471 D HN 0.415 nan 8.370 nan 0.000 0.485 472 K N -0.874 119.498 120.400 -0.046 0.000 2.335 472 K HA 0.193 4.513 4.320 0.000 0.000 0.195 472 K C 1.987 178.573 176.600 -0.023 0.000 1.058 472 K CA 0.013 56.285 56.287 -0.025 0.000 0.988 472 K CB 0.585 33.077 32.500 -0.014 0.000 0.880 472 K HN 0.184 nan 8.250 nan 0.000 0.513 473 I N 1.674 122.221 120.570 -0.038 0.000 2.353 473 I HA -0.203 3.967 4.170 0.000 0.000 0.248 473 I C 1.884 177.990 176.117 -0.019 0.000 1.119 473 I CA 1.333 62.623 61.300 -0.017 0.000 1.417 473 I CB -0.156 37.841 38.000 -0.005 0.000 1.078 473 I HN 0.180 nan 8.210 nan 0.000 0.421 474 E N 1.258 121.423 120.200 -0.058 0.000 2.072 474 E HA -0.170 4.181 4.350 0.000 0.000 0.191 474 E C 2.395 178.993 176.600 -0.004 0.000 0.985 474 E CA 1.195 57.571 56.400 -0.040 0.000 0.801 474 E CB -0.166 29.490 29.700 -0.073 0.000 0.750 474 E HN 0.488 nan 8.360 nan 0.000 0.452 475 A N 1.304 124.121 122.820 -0.004 0.000 1.940 475 A HA -0.150 4.170 4.320 0.000 0.000 0.219 475 A C 2.119 179.737 177.584 0.056 0.000 1.176 475 A CA 1.097 53.145 52.037 0.019 0.000 0.631 475 A CB -0.505 18.503 19.000 0.013 0.000 0.814 475 A HN 0.148 nan 8.150 nan 0.000 0.446 476 L N -0.992 120.262 121.223 0.052 0.000 2.554 476 L HA -0.034 4.306 4.340 0.000 0.000 0.226 476 L C 2.483 179.438 176.870 0.142 0.000 1.137 476 L CA 0.710 55.603 54.840 0.089 0.000 0.863 476 L CB -0.267 41.788 42.059 -0.005 0.000 0.985 476 L HN 0.557 nan 8.230 nan 0.000 0.451 477 Q N 0.315 120.175 119.800 0.100 0.000 2.437 477 Q HA -0.113 4.227 4.340 0.000 0.000 0.210 477 Q C 1.679 177.754 176.000 0.124 0.000 0.972 477 Q CA 0.865 56.736 55.803 0.115 0.000 0.903 477 Q CB 0.314 29.087 28.738 0.059 0.000 0.967 477 Q HN 0.357 nan 8.270 nan 0.000 0.486 478 R N -1.119 119.451 120.500 0.115 0.000 2.365 478 R HA 0.088 4.428 4.340 0.000 0.000 0.223 478 R C 0.033 176.414 176.300 0.135 0.000 0.899 478 R CA -0.099 56.046 56.100 0.074 0.000 1.059 478 R CB -0.257 30.063 30.300 0.035 0.000 1.086 478 R HN 0.280 nan 8.270 nan 0.000 0.522 479 H N 2.375 121.514 119.070 0.115 0.000 3.107 479 H HA -0.137 4.419 4.556 0.000 0.000 0.342 479 H C 1.402 176.855 175.328 0.207 0.000 1.076 479 H CA 1.238 57.363 56.048 0.127 0.000 1.356 479 H CB 0.945 30.772 29.762 0.108 0.000 1.281 479 H HN 0.202 nan 8.280 nan 0.000 0.604 480 E N 2.211 122.181 120.200 -0.383 0.000 2.076 480 E HA -0.160 4.191 4.350 0.000 0.000 0.190 480 E C 0.435 177.080 176.600 0.076 0.000 0.979 480 E CA 0.704 57.034 56.400 -0.117 0.000 0.807 480 E CB -0.210 29.358 29.700 -0.219 0.000 0.761 480 E HN 0.535 nan 8.360 nan 0.000 0.454 481 N N 1.419 120.140 118.700 0.034 0.000 2.359 481 N HA -0.126 4.615 4.740 0.000 0.000 0.261 481 N C 0.747 176.168 175.510 -0.148 0.000 1.267 481 N CA 0.622 53.726 53.050 0.090 0.000 0.864 481 N CB 0.797 39.413 38.487 0.215 0.000 1.063 481 N HN 0.363 nan 8.380 nan 0.000 0.474 482 E N 3.268 123.348 120.200 -0.201 0.000 2.063 482 E HA -0.285 4.065 4.350 0.000 0.000 0.221 482 E C 1.480 177.663 176.600 -0.696 0.000 1.052 482 E CA 2.615 58.735 56.400 -0.466 0.000 0.891 482 E CB -0.786 28.830 29.700 -0.140 0.000 0.792 482 E HN 0.605 nan 8.360 nan 0.000 0.482 483 S N -1.359 114.156 115.700 -0.308 0.000 2.402 483 S HA -0.162 4.308 4.470 0.000 0.000 0.233 483 S C 1.838 176.303 174.600 -0.225 0.000 1.030 483 S CA 1.298 59.368 58.200 -0.216 0.000 1.003 483 S CB -0.444 62.698 63.200 -0.096 0.000 0.813 483 S HN 0.251 nan 8.310 nan 0.000 0.477 484 V N 1.942 121.728 119.914 -0.213 0.000 2.222 484 V HA -0.168 3.952 4.120 0.000 0.000 0.240 484 V C 2.203 178.259 176.094 -0.064 0.000 1.040 484 V CA 2.141 64.374 62.300 -0.112 0.000 0.988 484 V CB -1.510 30.299 31.823 -0.024 0.000 0.633 484 V HN 0.774 nan 8.190 nan 0.000 0.452 485 Y N 1.390 121.753 120.300 0.105 0.000 2.219 485 Y HA -0.276 4.274 4.550 0.000 0.000 0.283 485 Y C 2.182 178.114 175.900 0.052 0.000 1.191 485 Y CA 1.481 59.630 58.100 0.082 0.000 1.199 485 Y CB -1.347 37.161 38.460 0.082 0.000 0.972 485 Y HN 0.172 nan 8.280 nan 0.000 0.527 486 K N 0.864 121.340 120.400 0.127 0.000 1.973 486 K HA -0.101 4.219 4.320 0.000 0.000 0.212 486 K C 2.630 179.285 176.600 0.091 0.000 1.047 486 K CA 1.313 57.694 56.287 0.156 0.000 0.937 486 K CB -0.651 31.856 32.500 0.012 0.000 0.721 486 K HN 0.428 nan 8.250 nan 0.000 0.440 487 A N 1.526 124.365 122.820 0.031 0.000 1.917 487 A HA -0.218 4.102 4.320 0.000 0.000 0.219 487 A C 2.301 179.931 177.584 0.077 0.000 1.182 487 A CA 2.232 54.297 52.037 0.045 0.000 0.633 487 A CB -0.702 18.308 19.000 0.017 0.000 0.819 487 A HN 0.260 nan 8.150 nan 0.000 0.448 488 S N -0.391 115.358 115.700 0.081 0.000 2.354 488 S HA -0.196 4.274 4.470 0.000 0.000 0.219 488 S C 1.875 176.539 174.600 0.106 0.000 1.035 488 S CA 1.525 59.781 58.200 0.094 0.000 1.037 488 S CB -0.715 62.546 63.200 0.103 0.000 0.956 488 S HN 0.556 nan 8.310 nan 0.000 0.428 489 L N 3.139 124.432 121.223 0.116 0.000 1.951 489 L HA -0.229 4.111 4.340 0.000 0.000 0.222 489 L C 2.133 179.049 176.870 0.076 0.000 1.078 489 L CA 2.157 57.053 54.840 0.093 0.000 0.778 489 L CB -1.105 41.015 42.059 0.103 0.000 0.893 489 L HN 0.289 nan 8.230 nan 0.000 0.436 490 N N -0.067 118.672 118.700 0.065 0.000 2.089 490 N HA -0.280 4.461 4.740 0.000 0.000 0.198 490 N C 1.906 177.430 175.510 0.023 0.000 1.017 490 N CA 2.627 55.692 53.050 0.025 0.000 0.880 490 N CB -0.373 38.130 38.487 0.026 0.000 1.042 490 N HN 0.542 nan 8.380 nan 0.000 0.446 491 L N 0.399 121.689 121.223 0.112 0.000 2.046 491 L HA -0.155 4.185 4.340 0.000 0.000 0.208 491 L C 2.377 179.440 176.870 0.322 0.000 1.077 491 L CA 0.661 55.627 54.840 0.210 0.000 0.747 491 L CB -0.385 41.848 42.059 0.290 0.000 0.896 491 L HN 0.176 nan 8.230 nan 0.000 0.432 492 I N 0.380 121.113 120.570 0.272 0.000 2.286 492 I HA -0.252 3.918 4.170 0.000 0.000 0.248 492 I C 2.544 178.806 176.117 0.242 0.000 1.115 492 I CA 1.699 63.174 61.300 0.290 0.000 1.392 492 I CB -1.063 36.986 38.000 0.081 0.000 1.065 492 I HN 0.527 nan 8.210 nan 0.000 0.418 493 E N 1.161 121.415 120.200 0.089 0.000 2.079 493 E HA -0.166 4.185 4.350 0.000 0.000 0.191 493 E C 2.136 178.673 176.600 -0.106 0.000 0.961 493 E CA 0.211 56.615 56.400 0.008 0.000 0.823 493 E CB -0.542 29.148 29.700 -0.017 0.000 0.789 493 E HN 0.278 nan 8.360 nan 0.000 0.459 494 K N -0.433 119.828 120.400 -0.231 0.000 2.280 494 K HA -0.125 4.195 4.320 0.000 0.000 0.202 494 K C 0.477 176.574 176.600 -0.838 0.000 1.047 494 K CA 1.165 57.138 56.287 -0.524 0.000 0.942 494 K CB 0.083 32.179 32.500 -0.672 0.000 0.739 494 K HN 0.218 nan 8.250 nan 0.000 0.457 495 Y N -2.165 117.901 120.300 -0.389 0.000 2.563 495 Y HA 0.252 4.802 4.550 0.000 0.000 0.250 495 Y C 0.143 175.531 175.900 -0.853 0.000 1.126 495 Y CA -0.655 56.984 58.100 -0.769 0.000 1.231 495 Y CB 0.560 38.073 38.460 -1.579 0.000 1.288 495 Y HN -0.118 nan 8.280 nan 0.000 0.537 496 F N -1.117 118.813 119.950 -0.033 0.000 3.124 496 F HA 0.675 5.202 4.527 0.000 0.000 0.280 496 F C 1.564 177.362 175.800 -0.004 0.000 1.519 496 F CA -0.707 57.300 58.000 0.011 0.000 0.994 496 F CB -0.777 38.237 39.000 0.023 0.000 1.823 496 F HN -0.176 nan 8.300 nan 0.000 0.390 497 S N 0.000 115.854 115.700 0.257 0.000 2.498 497 S HA 0.000 4.470 4.470 0.000 0.000 0.327 497 S CA 0.000 58.273 58.200 0.122 0.000 1.107 497 S CB 0.000 63.253 63.200 0.088 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517