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 3k39_1_G DATA FIRST_RESID 78 DATA SEQUENCE PEWTYPRLSc PGSTFQKALL ISPHRFGETK GNSAPLIIRE PFIAcGPKEc DATA SEQUENCE KHFALTHYAA QPGGYYNGTR GDRNKLRHLI SVKLGKIPTV ENSIFHMAAW DATA SEQUENCE SGSAcHDGKE WTYIGVDGPE NNALLKIKYG EAYTDTYHSY ANNILRTQES DATA SEQUENCE AcNcIGGNcY LMITDGSASG ISECRFLKIR EGRIIKEIFP TGRVKHTEEc DATA SEQUENCE TcGFASNKTI EcAcRDNSYT AKRPFVKLNV ETDTAEIRLM cTETYLDTPR DATA SEQUENCE PDDGSITGPc ESNGDKGSGG IKGGFVHQRM ASKIGRWYSR TMSKTKRMGM DATA SEQUENCE GLYVKYDGDP WTDSDALALS GVMVSMEEPG WYSFGFEIKD KKcDVPcIGI DATA SEQUENCE EMVHDGGKET WHSAATAIYc LMGSGQLLWD TVTGVDMAL 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 78 P HA 0.000 nan 4.420 nan 0.000 0.216 78 P C 0.000 177.199 177.300 -0.168 0.000 1.155 78 P CA 0.000 63.046 63.100 -0.091 0.000 0.800 78 P CB 0.000 31.659 31.700 -0.069 0.000 0.726 79 E N -0.617 119.492 120.200 -0.151 0.000 2.410 79 E HA 0.391 4.741 4.350 -0.000 0.000 0.269 79 E C -0.961 175.556 176.600 -0.138 0.000 0.937 79 E CA -0.447 55.823 56.400 -0.216 0.000 0.793 79 E CB 1.182 30.841 29.700 -0.069 0.000 1.314 79 E HN 0.444 nan 8.360 nan 0.000 0.447 80 W N 1.123 122.432 121.300 0.014 0.000 2.193 80 W HA 0.106 4.766 4.660 -0.000 0.000 0.338 80 W C 1.053 177.528 176.519 -0.074 0.000 1.310 80 W CA -0.292 57.007 57.345 -0.077 0.000 1.243 80 W CB 0.367 29.733 29.460 -0.157 0.000 1.165 80 W HN 0.240 nan 8.180 nan 0.000 0.566 81 T N -0.016 114.604 114.554 0.111 0.000 2.934 81 T HA 0.606 4.956 4.350 -0.000 0.000 0.283 81 T C -1.101 173.448 174.700 -0.251 0.000 1.005 81 T CA -0.648 61.475 62.100 0.039 0.000 1.041 81 T CB 1.218 70.118 68.868 0.053 0.000 1.042 81 T HN 0.338 nan 8.240 nan 0.000 0.505 82 Y N 0.019 120.283 120.300 -0.059 0.000 2.581 82 Y HA 0.541 5.091 4.550 -0.000 0.000 0.345 82 Y C -2.268 173.492 175.900 -0.232 0.000 1.036 82 Y CA -2.529 55.458 58.100 -0.188 0.000 1.042 82 Y CB 1.835 40.216 38.460 -0.132 0.000 1.289 82 Y HN 0.557 nan 8.280 nan 0.000 0.471 83 P HA 0.294 nan 4.420 nan 0.000 0.271 83 P C -1.058 176.211 177.300 -0.051 0.000 1.216 83 P CA -0.221 62.776 63.100 -0.173 0.000 0.776 83 P CB 1.306 32.827 31.700 -0.298 0.000 0.881 84 R N 1.192 121.687 120.500 -0.008 0.000 2.944 84 R HA 0.565 4.905 4.340 -0.000 0.000 0.233 84 R C -0.241 176.067 176.300 0.014 0.000 1.346 84 R CA -1.200 54.901 56.100 0.001 0.000 1.082 84 R CB -0.286 30.020 30.300 0.009 0.000 1.434 84 R HN 0.205 nan 8.270 nan 0.000 0.510 85 L N 1.138 122.370 121.223 0.015 0.000 2.490 85 L HA 0.083 4.423 4.340 -0.000 0.000 0.274 85 L C 0.096 176.987 176.870 0.035 0.000 1.201 85 L CA 0.615 55.472 54.840 0.030 0.000 0.869 85 L CB 0.303 42.377 42.059 0.025 0.000 1.123 85 L HN 0.595 nan 8.230 nan 0.000 0.484 86 S N 1.248 116.981 115.700 0.054 0.000 2.576 86 S HA 0.090 4.560 4.470 -0.000 0.000 0.272 86 S C 0.202 174.821 174.600 0.033 0.000 1.352 86 S CA -0.805 57.424 58.200 0.048 0.000 1.021 86 S CB 0.295 63.545 63.200 0.083 0.000 0.887 86 S HN 0.700 nan 8.310 nan 0.000 0.542 87 c N 3.207 121.811 118.600 0.007 0.000 2.656 87 c HA 0.306 4.875 4.570 -0.000 0.000 0.391 87 c C -1.768 172.330 174.090 0.013 0.000 1.300 87 c CA -1.110 55.218 56.329 -0.001 0.000 2.302 87 c CB -0.868 41.625 42.510 -0.028 0.000 2.655 87 c HN 0.608 nan 8.230 nan 0.000 0.656 88 P HA 0.436 nan 4.420 nan 0.000 0.267 88 P C -0.022 177.295 177.300 0.027 0.000 1.200 88 P CA 1.008 64.125 63.100 0.029 0.000 0.772 88 P CB 0.263 31.974 31.700 0.018 0.000 0.855 89 G N -0.032 108.806 108.800 0.064 0.000 2.358 89 G HA2 0.347 4.307 3.960 -0.000 0.000 0.303 89 G HA3 0.347 4.307 3.960 -0.000 0.000 0.303 89 G C -0.303 174.701 174.900 0.173 0.000 1.537 89 G CA -0.068 45.079 45.100 0.078 0.000 0.928 89 G HN 0.451 nan 8.290 nan 0.000 0.656 90 S N -1.703 114.119 115.700 0.203 0.000 2.817 90 S HA 0.587 5.057 4.470 -0.000 0.000 0.262 90 S C 0.393 175.258 174.600 0.441 0.000 1.051 90 S CA 0.785 59.184 58.200 0.332 0.000 1.185 90 S CB 1.051 64.376 63.200 0.208 0.000 1.152 90 S HN 1.452 nan 8.310 nan 0.000 0.653 91 T N 1.054 115.796 114.554 0.313 0.000 2.900 91 T HA 0.673 5.023 4.350 -0.000 0.000 0.303 91 T C -1.676 173.145 174.700 0.202 0.000 1.142 91 T CA -0.470 61.828 62.100 0.330 0.000 1.007 91 T CB 0.753 69.771 68.868 0.249 0.000 1.156 91 T HN 0.067 nan 8.240 nan 0.000 0.490 92 F N 2.771 122.599 119.950 -0.205 0.000 2.382 92 F HA 0.602 5.129 4.527 -0.000 0.000 0.331 92 F C 0.962 176.772 175.800 0.017 0.000 1.121 92 F CA -0.381 57.506 58.000 -0.188 0.000 1.183 92 F CB 1.010 39.852 39.000 -0.263 0.000 1.207 92 F HN 0.374 nan 8.300 nan 0.000 0.555 93 Q N 0.588 120.480 119.800 0.153 0.000 2.495 93 Q HA 0.219 4.559 4.340 -0.000 0.000 0.287 93 Q C -0.951 175.053 176.000 0.007 0.000 1.078 93 Q CA -1.180 54.716 55.803 0.155 0.000 0.793 93 Q CB 2.502 31.263 28.738 0.039 0.000 1.459 93 Q HN 0.531 nan 8.270 nan 0.000 0.422 94 K N 0.516 120.818 120.400 -0.163 0.000 2.436 94 K HA 0.248 4.568 4.320 -0.000 0.000 0.282 94 K C 0.112 176.483 176.600 -0.383 0.000 1.044 94 K CA 0.534 56.375 56.287 -0.743 0.000 1.028 94 K CB 0.404 32.718 32.500 -0.309 0.000 0.919 94 K HN 0.695 nan 8.250 nan 0.000 0.474 95 A N 4.824 127.396 122.820 -0.413 0.000 1.970 95 A HA 0.219 4.539 4.320 -0.000 0.000 0.204 95 A C -0.160 177.351 177.584 -0.121 0.000 1.325 95 A CA 0.213 52.134 52.037 -0.193 0.000 0.767 95 A CB 0.234 19.147 19.000 -0.145 0.000 0.949 95 A HN 0.615 nan 8.150 nan 0.000 0.481 96 L N -1.272 119.878 121.223 -0.123 0.000 2.591 96 L HA 0.669 5.009 4.340 -0.000 0.000 0.257 96 L C -2.096 174.753 176.870 -0.035 0.000 0.935 96 L CA -0.518 54.291 54.840 -0.052 0.000 0.873 96 L CB 1.970 44.016 42.059 -0.022 0.000 1.397 96 L HN 0.225 nan 8.230 nan 0.000 0.414 97 L N 5.233 126.452 121.223 -0.007 0.000 2.333 97 L HA 0.706 5.046 4.340 -0.000 0.000 0.280 97 L C -1.339 175.550 176.870 0.032 0.000 1.004 97 L CA -0.270 54.580 54.840 0.017 0.000 0.820 97 L CB 1.556 43.627 42.059 0.019 0.000 1.247 97 L HN 0.504 nan 8.230 nan 0.000 0.416 98 I N 4.353 124.949 120.570 0.044 0.000 2.347 98 I HA 0.270 4.440 4.170 -0.000 0.000 0.283 98 I C 0.161 176.344 176.117 0.110 0.000 1.058 98 I CA 0.038 61.385 61.300 0.078 0.000 1.202 98 I CB 0.561 38.607 38.000 0.076 0.000 1.386 98 I HN 0.662 nan 8.210 nan 0.000 0.475 99 S N 8.284 124.033 115.700 0.082 0.000 2.328 99 S HA 0.424 4.894 4.470 -0.000 0.000 0.204 99 S C -1.529 173.061 174.600 -0.018 0.000 1.475 99 S CA -1.237 57.005 58.200 0.069 0.000 1.148 99 S CB 0.604 63.826 63.200 0.037 0.000 1.077 99 S HN 0.274 nan 8.310 nan 0.000 0.479 100 P HA -0.067 nan 4.420 nan 0.000 0.222 100 P C 0.867 178.010 177.300 -0.262 0.000 1.147 100 P CA 0.917 63.969 63.100 -0.080 0.000 0.790 100 P CB -0.001 31.563 31.700 -0.226 0.000 0.780 101 H N -1.056 117.950 119.070 -0.108 0.000 2.551 101 H HA 0.172 4.727 4.556 -0.000 0.000 0.266 101 H C 1.727 176.873 175.328 -0.304 0.000 0.977 101 H CA 0.440 56.333 56.048 -0.257 0.000 1.163 101 H CB 0.021 29.548 29.762 -0.392 0.000 1.381 101 H HN 0.038 nan 8.280 nan 0.000 0.581 102 R N 0.443 120.726 120.500 -0.361 0.000 2.303 102 R HA -0.092 4.248 4.340 -0.000 0.000 0.225 102 R C 0.392 176.284 176.300 -0.681 0.000 1.114 102 R CA 0.670 56.413 56.100 -0.595 0.000 1.007 102 R CB -0.271 29.508 30.300 -0.868 0.000 0.861 102 R HN 0.292 nan 8.270 nan 0.000 0.471 103 F N -2.194 117.716 119.950 -0.066 0.000 2.729 103 F HA 0.322 4.849 4.527 -0.000 0.000 0.315 103 F C 1.711 177.456 175.800 -0.092 0.000 1.102 103 F CA -0.436 57.520 58.000 -0.072 0.000 1.204 103 F CB 0.234 39.186 39.000 -0.080 0.000 1.052 103 F HN -0.128 nan 8.300 nan 0.000 0.551 104 G N 0.046 108.837 108.800 -0.015 0.000 3.383 104 G HA2 0.116 4.076 3.960 -0.000 0.000 0.251 104 G HA3 0.116 4.076 3.960 -0.000 0.000 0.251 104 G C 0.137 174.994 174.900 -0.072 0.000 1.203 104 G CA -0.210 44.844 45.100 -0.077 0.000 0.852 104 G HN 0.180 nan 8.290 nan 0.000 0.531 105 E N -0.370 119.820 120.200 -0.015 0.000 2.404 105 E HA 0.243 4.592 4.350 -0.000 0.000 0.261 105 E C 1.386 177.995 176.600 0.014 0.000 1.074 105 E CA 0.027 56.431 56.400 0.006 0.000 0.917 105 E CB 0.637 30.349 29.700 0.021 0.000 0.965 105 E HN -0.037 nan 8.360 nan 0.000 0.433 106 T N 2.118 116.688 114.554 0.027 0.000 2.699 106 T HA -0.162 4.187 4.350 -0.000 0.000 0.268 106 T C 1.261 175.973 174.700 0.020 0.000 1.036 106 T CA 1.151 63.267 62.100 0.027 0.000 1.147 106 T CB -0.002 68.888 68.868 0.036 0.000 0.862 106 T HN 0.273 nan 8.240 nan 0.000 0.446 107 K N 0.862 121.275 120.400 0.022 0.000 2.366 107 K HA 0.149 4.469 4.320 -0.000 0.000 0.198 107 K C 1.305 177.917 176.600 0.021 0.000 1.044 107 K CA 0.097 56.396 56.287 0.020 0.000 0.973 107 K CB -0.308 32.205 32.500 0.022 0.000 0.767 107 K HN 0.398 nan 8.250 nan 0.000 0.475 108 G N 0.784 109.599 108.800 0.026 0.000 2.535 108 G HA2 0.143 4.103 3.960 -0.000 0.000 0.303 108 G HA3 0.143 4.103 3.960 -0.000 0.000 0.303 108 G C 0.062 174.973 174.900 0.018 0.000 1.237 108 G CA -0.504 44.616 45.100 0.033 0.000 0.986 108 G HN 0.087 nan 8.290 nan 0.000 0.494 109 N N -0.227 118.480 118.700 0.011 0.000 2.416 109 N HA 0.219 4.959 4.740 -0.000 0.000 0.267 109 N C -0.376 175.123 175.510 -0.018 0.000 1.294 109 N CA -0.114 52.932 53.050 -0.007 0.000 0.891 109 N CB 1.151 39.629 38.487 -0.015 0.000 1.238 109 N HN 0.243 nan 8.380 nan 0.000 0.508 110 S N -0.056 115.639 115.700 -0.007 0.000 2.726 110 S HA 0.756 5.226 4.470 -0.000 0.000 0.308 110 S C 0.041 174.630 174.600 -0.018 0.000 1.115 110 S CA -0.671 57.514 58.200 -0.024 0.000 0.965 110 S CB 2.282 65.472 63.200 -0.017 0.000 1.145 110 S HN 0.225 nan 8.310 nan 0.000 0.532 111 A N 2.354 125.155 122.820 -0.031 0.000 3.297 111 A HA 0.484 4.804 4.320 -0.000 0.000 0.304 111 A C -2.849 174.708 177.584 -0.044 0.000 0.963 111 A CA -1.377 50.646 52.037 -0.024 0.000 0.935 111 A CB -0.080 18.914 19.000 -0.011 0.000 1.093 111 A HN 0.464 nan 8.150 nan 0.000 0.480 112 P HA 0.140 nan 4.420 nan 0.000 0.268 112 P C -0.136 177.099 177.300 -0.108 0.000 1.204 112 P CA 0.344 63.345 63.100 -0.166 0.000 0.768 112 P CB 0.859 32.329 31.700 -0.384 0.000 0.842 113 L N 3.856 125.025 121.223 -0.091 0.000 2.416 113 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 113 L C 1.144 178.075 176.870 0.101 0.000 1.161 113 L CA -0.526 54.310 54.840 -0.006 0.000 0.845 113 L CB 0.048 42.064 42.059 -0.072 0.000 1.119 113 L HN 0.281 nan 8.230 nan 0.000 0.464 114 I N 4.844 125.530 120.570 0.193 0.000 2.436 114 I HA 0.102 4.272 4.170 -0.000 0.000 0.289 114 I C 0.051 176.323 176.117 0.258 0.000 1.083 114 I CA 0.175 61.643 61.300 0.279 0.000 1.372 114 I CB 0.312 38.489 38.000 0.295 0.000 1.408 114 I HN 0.447 nan 8.210 nan 0.000 0.516 115 I N 5.016 125.738 120.570 0.254 0.000 3.174 115 I HA 0.736 4.905 4.170 -0.000 0.000 0.313 115 I C -0.525 175.700 176.117 0.180 0.000 1.155 115 I CA -0.740 60.669 61.300 0.182 0.000 0.977 115 I CB 2.014 40.054 38.000 0.066 0.000 1.248 115 I HN 0.411 nan 8.210 nan 0.000 0.453 116 R N -0.010 120.575 120.500 0.142 0.000 2.909 116 R HA 0.424 4.764 4.340 -0.000 0.000 0.262 116 R C -1.150 175.220 176.300 0.117 0.000 1.095 116 R CA -1.010 55.151 56.100 0.101 0.000 0.965 116 R CB 1.304 31.673 30.300 0.116 0.000 1.300 116 R HN 0.768 nan 8.270 nan 0.000 0.442 117 E N 0.554 120.826 120.200 0.120 0.000 2.222 117 E HA -0.156 4.194 4.350 -0.000 0.000 0.189 117 E C -2.493 174.270 176.600 0.273 0.000 1.415 117 E CA 0.479 57.025 56.400 0.242 0.000 0.689 117 E CB -1.135 28.724 29.700 0.266 0.000 1.107 117 E HN 0.214 nan 8.360 nan 0.000 0.350 118 P HA 0.525 nan 4.420 nan 0.000 0.278 118 P C -0.331 177.008 177.300 0.065 0.000 1.258 118 P CA -0.451 62.753 63.100 0.173 0.000 0.811 118 P CB 0.693 32.569 31.700 0.294 0.000 1.063 119 F N -1.674 118.092 119.950 -0.307 0.000 2.807 119 F HA 0.677 5.204 4.527 -0.000 0.000 0.316 119 F C -1.975 173.607 175.800 -0.362 0.000 1.162 119 F CA -1.222 56.173 58.000 -1.009 0.000 0.910 119 F CB 0.606 39.141 39.000 -0.775 0.000 1.314 119 F HN 0.052 nan 8.300 nan 0.000 0.454 120 I N 1.822 122.248 120.570 -0.241 0.000 2.608 120 I HA 0.846 5.016 4.170 -0.000 0.000 0.295 120 I C -0.752 175.449 176.117 0.140 0.000 1.049 120 I CA -1.095 60.107 61.300 -0.164 0.000 1.063 120 I CB 2.089 39.635 38.000 -0.755 0.000 1.248 120 I HN 1.015 nan 8.210 nan 0.000 0.424 121 A N 4.350 127.365 122.820 0.324 0.000 2.520 121 A HA 0.807 5.127 4.320 -0.000 0.000 0.298 121 A C -1.451 176.472 177.584 0.565 0.000 1.051 121 A CA -0.434 51.908 52.037 0.509 0.000 0.690 121 A CB 1.459 20.864 19.000 0.676 0.000 1.281 121 A HN 0.735 nan 8.150 nan 0.000 0.402 122 c N 1.019 119.889 118.600 0.451 0.000 2.563 122 c HA 0.910 5.480 4.570 -0.000 0.000 0.314 122 c C 1.073 175.221 174.090 0.096 0.000 1.199 122 c CA -0.117 56.418 56.329 0.344 0.000 1.564 122 c CB 1.274 43.951 42.510 0.278 0.000 2.173 122 c HN 1.222 nan 8.230 nan 0.000 0.485 123 G N 1.514 110.254 108.800 -0.100 0.000 2.795 123 G HA2 0.588 4.548 3.960 -0.000 0.000 0.267 123 G HA3 0.588 4.548 3.960 -0.000 0.000 0.267 123 G C -2.019 172.726 174.900 -0.259 0.000 1.362 123 G CA -0.694 44.084 45.100 -0.537 0.000 1.048 123 G HN 0.438 nan 8.290 nan 0.000 0.547 124 P HA 0.051 nan 4.420 nan 0.000 0.223 124 P C 1.052 178.313 177.300 -0.065 0.000 1.151 124 P CA 1.279 64.312 63.100 -0.111 0.000 0.787 124 P CB 0.189 31.838 31.700 -0.084 0.000 0.788 125 K N -2.548 117.808 120.400 -0.074 0.000 2.474 125 K HA 0.279 4.599 4.320 -0.000 0.000 0.204 125 K C 0.643 177.260 176.600 0.027 0.000 1.220 125 K CA -0.120 56.160 56.287 -0.012 0.000 0.966 125 K CB 0.822 33.321 32.500 -0.001 0.000 1.049 125 K HN -0.093 nan 8.250 nan 0.000 0.554 126 E N 0.601 120.835 120.200 0.057 0.000 2.314 126 E HA 0.353 4.703 4.350 -0.000 0.000 0.272 126 E C -1.500 175.215 176.600 0.192 0.000 0.884 126 E CA -0.978 55.495 56.400 0.121 0.000 0.753 126 E CB 2.319 32.122 29.700 0.173 0.000 1.213 126 E HN 0.184 nan 8.360 nan 0.000 0.432 127 c N 3.356 122.042 118.600 0.142 0.000 2.303 127 c HA 0.473 5.043 4.570 -0.000 0.000 0.326 127 c C -0.163 173.943 174.090 0.027 0.000 1.285 127 c CA -0.701 55.720 56.329 0.154 0.000 1.675 127 c CB 0.251 42.837 42.510 0.126 0.000 2.289 127 c HN 0.538 nan 8.230 nan 0.000 0.512 128 K N 1.645 122.026 120.400 -0.033 0.000 2.164 128 K HA 0.351 4.671 4.320 -0.000 0.000 0.258 128 K C -0.497 175.829 176.600 -0.456 0.000 0.951 128 K CA -0.383 55.662 56.287 -0.403 0.000 0.844 128 K CB 1.347 33.315 32.500 -0.887 0.000 1.099 128 K HN 0.819 nan 8.250 nan 0.000 0.435 129 H N 3.976 122.662 119.070 -0.639 0.000 2.623 129 H HA 0.246 4.802 4.556 -0.000 0.000 0.299 129 H C -1.103 173.813 175.328 -0.686 0.000 1.052 129 H CA -0.735 55.014 56.048 -0.499 0.000 1.231 129 H CB 0.306 29.896 29.762 -0.286 0.000 1.389 129 H HN 0.354 nan 8.280 nan 0.000 0.469 130 F N 2.962 122.557 119.950 -0.591 0.000 2.403 130 F HA 0.628 5.155 4.527 -0.000 0.000 0.326 130 F C 0.391 175.780 175.800 -0.685 0.000 1.081 130 F CA -0.232 57.293 58.000 -0.791 0.000 1.041 130 F CB 1.745 39.943 39.000 -1.336 0.000 1.234 130 F HN 0.599 nan 8.300 nan 0.000 0.503 131 A N 1.303 123.971 122.820 -0.253 0.000 2.610 131 A HA 0.717 5.037 4.320 -0.000 0.000 0.291 131 A C -1.864 175.701 177.584 -0.033 0.000 1.086 131 A CA -0.804 51.157 52.037 -0.128 0.000 0.677 131 A CB 1.161 20.053 19.000 -0.179 0.000 1.278 131 A HN 0.685 nan 8.150 nan 0.000 0.414 132 L N 1.908 123.155 121.223 0.039 0.000 2.270 132 L HA 0.403 4.743 4.340 -0.000 0.000 0.286 132 L C 0.700 177.574 176.870 0.006 0.000 1.059 132 L CA -0.311 54.554 54.840 0.042 0.000 0.839 132 L CB 1.175 43.291 42.059 0.096 0.000 1.221 132 L HN 0.822 nan 8.230 nan 0.000 0.431 133 T N 0.746 115.284 114.554 -0.027 0.000 2.868 133 T HA 0.126 4.476 4.350 -0.000 0.000 0.292 133 T C 0.876 175.606 174.700 0.050 0.000 1.028 133 T CA -0.195 61.910 62.100 0.009 0.000 1.059 133 T CB 0.449 69.258 68.868 -0.098 0.000 0.991 133 T HN 0.502 nan 8.240 nan 0.000 0.531 134 H N 3.055 122.242 119.070 0.195 0.000 2.537 134 H HA 0.079 4.635 4.556 -0.000 0.000 0.295 134 H C -0.250 175.272 175.328 0.323 0.000 1.054 134 H CA -0.042 56.159 56.048 0.254 0.000 1.156 134 H CB -0.192 29.709 29.762 0.231 0.000 1.468 134 H HN 0.806 nan 8.280 nan 0.000 0.551 135 Y N 0.149 120.591 120.300 0.238 0.000 3.589 135 Y HA -0.265 4.285 4.550 -0.000 0.000 0.218 135 Y C -0.212 175.785 175.900 0.161 0.000 1.234 135 Y CA 0.300 58.526 58.100 0.210 0.000 1.576 135 Y CB -1.435 37.111 38.460 0.144 0.000 1.487 135 Y HN 0.435 nan 8.280 nan 0.000 0.616 136 A N -0.403 122.624 122.820 0.344 0.000 2.594 136 A HA 1.020 5.339 4.320 -0.000 0.000 0.291 136 A C -0.908 176.837 177.584 0.268 0.000 1.105 136 A CA -0.218 52.016 52.037 0.329 0.000 0.694 136 A CB 1.318 20.553 19.000 0.392 0.000 1.291 136 A HN 1.225 nan 8.150 nan 0.000 0.410 137 A N 0.003 122.974 122.820 0.251 0.000 2.479 137 A HA 0.811 5.131 4.320 -0.000 0.000 0.296 137 A C -0.893 176.798 177.584 0.178 0.000 1.121 137 A CA -0.518 51.620 52.037 0.169 0.000 0.743 137 A CB 1.622 20.690 19.000 0.112 0.000 1.323 137 A HN 0.850 nan 8.150 nan 0.000 0.415 138 Q N 1.194 121.031 119.800 0.062 0.000 2.333 138 Q HA 0.482 4.822 4.340 -0.000 0.000 0.268 138 Q C -2.681 173.284 176.000 -0.058 0.000 1.007 138 Q CA -2.098 53.677 55.803 -0.048 0.000 0.810 138 Q CB 2.249 30.697 28.738 -0.483 0.000 1.264 138 Q HN 0.531 nan 8.270 nan 0.000 0.452 139 P HA 0.419 nan 4.420 nan 0.000 0.274 139 P C -0.476 176.849 177.300 0.041 0.000 1.237 139 P CA 0.090 63.226 63.100 0.059 0.000 0.793 139 P CB 1.255 32.972 31.700 0.028 0.000 0.977 140 G N -1.059 107.700 108.800 -0.068 0.000 2.489 140 G HA2 0.483 4.443 3.960 -0.000 0.000 0.305 140 G HA3 0.483 4.443 3.960 -0.000 0.000 0.305 140 G C -0.478 174.081 174.900 -0.568 0.000 1.311 140 G CA -0.148 44.832 45.100 -0.199 0.000 0.813 140 G HN 0.514 nan 8.290 nan 0.000 0.480 141 G N -1.420 107.055 108.800 -0.543 0.000 3.735 141 G HA2 0.392 4.352 3.960 -0.000 0.000 0.283 141 G HA3 0.392 4.352 3.960 -0.000 0.000 0.283 141 G C -0.291 174.181 174.900 -0.715 0.000 1.007 141 G CA 0.104 44.795 45.100 -0.681 0.000 0.821 141 G HN 0.327 nan 8.290 nan 0.000 0.505 142 Y N 0.282 120.491 120.300 -0.152 0.000 2.751 142 Y HA 0.340 4.890 4.550 -0.000 0.000 0.289 142 Y C 1.264 177.274 175.900 0.182 0.000 1.110 142 Y CA -1.485 56.632 58.100 0.029 0.000 1.251 142 Y CB -0.013 38.498 38.460 0.085 0.000 1.178 142 Y HN 0.140 nan 8.280 nan 0.000 0.540 143 Y N -0.571 119.821 120.300 0.153 0.000 2.200 143 Y HA -0.169 4.381 4.550 -0.000 0.000 0.290 143 Y C 1.338 177.293 175.900 0.092 0.000 1.137 143 Y CA 0.119 58.307 58.100 0.146 0.000 1.163 143 Y CB -0.789 37.764 38.460 0.155 0.000 0.988 143 Y HN 0.159 nan 8.280 nan 0.000 0.518 144 N N 0.516 119.357 118.700 0.235 0.000 2.365 144 N HA 0.145 4.885 4.740 -0.000 0.000 0.265 144 N C 1.028 176.603 175.510 0.108 0.000 1.288 144 N CA 1.545 54.675 53.050 0.134 0.000 0.869 144 N CB 0.170 38.717 38.487 0.100 0.000 1.071 144 N HN 0.573 nan 8.380 nan 0.000 0.480 145 G N 1.614 110.438 108.800 0.040 0.000 2.201 145 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.212 145 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.212 145 G C 0.851 175.652 174.900 -0.164 0.000 0.994 145 G CA 0.531 45.630 45.100 -0.002 0.000 0.644 145 G HN 0.728 nan 8.290 nan 0.000 0.508 146 T N -1.640 112.782 114.554 -0.221 0.000 3.088 146 T HA 0.231 4.581 4.350 -0.000 0.000 0.259 146 T C 1.937 176.380 174.700 -0.429 0.000 1.122 146 T CA 1.062 62.817 62.100 -0.575 0.000 1.095 146 T CB -0.014 68.752 68.868 -0.170 0.000 0.930 146 T HN 0.385 nan 8.240 nan 0.000 0.508 147 R N 1.070 121.394 120.500 -0.294 0.000 2.200 147 R HA 0.199 4.539 4.340 -0.000 0.000 0.208 147 R C 1.559 177.756 176.300 -0.171 0.000 1.033 147 R CA 0.299 56.149 56.100 -0.417 0.000 1.000 147 R CB -0.307 29.726 30.300 -0.445 0.000 0.906 147 R HN 0.504 nan 8.270 nan 0.000 0.462 148 G N 0.381 109.140 108.800 -0.069 0.000 2.664 148 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.242 148 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.242 148 G C -0.070 174.926 174.900 0.159 0.000 1.225 148 G CA -0.374 44.749 45.100 0.039 0.000 0.849 148 G HN 0.031 nan 8.290 nan 0.000 0.581 149 D N -0.270 120.174 120.400 0.073 0.000 2.262 149 D HA 0.070 4.710 4.640 -0.000 0.000 0.212 149 D C 1.001 177.293 176.300 -0.013 0.000 0.964 149 D CA 0.793 54.825 54.000 0.054 0.000 0.875 149 D CB 0.421 41.208 40.800 -0.022 0.000 0.996 149 D HN 0.322 nan 8.370 nan 0.000 0.497 150 R N 0.487 120.902 120.500 -0.142 0.000 2.628 150 R HA 0.487 4.826 4.340 -0.000 0.000 0.288 150 R C -0.838 175.419 176.300 -0.071 0.000 0.980 150 R CA -0.703 55.190 56.100 -0.345 0.000 0.891 150 R CB 1.851 31.496 30.300 -1.091 0.000 1.188 150 R HN 0.048 nan 8.270 nan 0.000 0.450 151 N N -0.590 118.186 118.700 0.128 0.000 3.106 151 N HA 0.155 4.895 4.740 -0.000 0.000 0.253 151 N C -0.606 175.068 175.510 0.273 0.000 1.506 151 N CA -1.071 52.085 53.050 0.177 0.000 0.876 151 N CB 0.865 39.459 38.487 0.179 0.000 1.452 151 N HN 0.260 nan 8.380 nan 0.000 0.542 152 K N -0.439 120.077 120.400 0.194 0.000 2.504 152 K HA 0.248 4.567 4.320 -0.000 0.000 0.195 152 K C 0.612 177.312 176.600 0.166 0.000 1.036 152 K CA 0.713 57.099 56.287 0.166 0.000 0.984 152 K CB -0.342 32.221 32.500 0.104 0.000 0.788 152 K HN 0.428 nan 8.250 nan 0.000 0.488 153 L N -0.421 120.923 121.223 0.201 0.000 2.556 153 L HA 0.134 4.474 4.340 -0.000 0.000 0.226 153 L C 0.761 177.927 176.870 0.494 0.000 1.089 153 L CA -0.357 54.636 54.840 0.256 0.000 0.864 153 L CB 0.160 42.310 42.059 0.152 0.000 1.067 153 L HN -0.047 nan 8.230 nan 0.000 0.477 154 R N 0.409 121.110 120.500 0.336 0.000 2.537 154 R HA 0.024 4.364 4.340 -0.000 0.000 0.281 154 R C -0.946 175.514 176.300 0.266 0.000 0.988 154 R CA 0.663 56.916 56.100 0.254 0.000 1.077 154 R CB -0.014 30.392 30.300 0.175 0.000 0.932 154 R HN 0.076 nan 8.270 nan 0.000 0.409 155 H N 1.844 120.992 119.070 0.131 0.000 2.851 155 H HA 0.328 4.884 4.556 -0.000 0.000 0.372 155 H C -1.267 174.063 175.328 0.003 0.000 1.158 155 H CA -0.821 55.292 56.048 0.109 0.000 1.159 155 H CB 1.415 31.304 29.762 0.211 0.000 1.757 155 H HN 0.362 nan 8.280 nan 0.000 0.546 156 L N 4.021 125.306 121.223 0.104 0.000 2.313 156 L HA 0.403 4.743 4.340 -0.000 0.000 0.282 156 L C -0.880 176.036 176.870 0.077 0.000 1.092 156 L CA -0.200 54.693 54.840 0.088 0.000 0.831 156 L CB -0.503 41.620 42.059 0.106 0.000 1.159 156 L HN 0.590 nan 8.230 nan 0.000 0.442 157 I N 2.211 122.756 120.570 -0.041 0.000 3.002 157 I HA 0.973 5.143 4.170 -0.000 0.000 0.310 157 I C -0.394 175.652 176.117 -0.119 0.000 1.087 157 I CA -0.390 60.791 61.300 -0.198 0.000 1.017 157 I CB 2.177 39.794 38.000 -0.639 0.000 1.226 157 I HN 0.628 nan 8.210 nan 0.000 0.443 158 S N 1.876 117.437 115.700 -0.231 0.000 2.596 158 S HA 0.934 5.404 4.470 -0.000 0.000 0.270 158 S C -0.823 173.534 174.600 -0.405 0.000 1.155 158 S CA -0.213 57.699 58.200 -0.479 0.000 0.827 158 S CB 1.408 64.106 63.200 -0.837 0.000 1.130 158 S HN 1.870 nan 8.310 nan 0.000 0.467 159 V N -1.414 118.241 119.914 -0.431 0.000 3.078 159 V HA 0.689 4.809 4.120 -0.000 0.000 0.311 159 V C -0.351 175.579 176.094 -0.273 0.000 1.138 159 V CA -1.310 60.817 62.300 -0.288 0.000 1.007 159 V CB 1.530 33.233 31.823 -0.200 0.000 1.045 159 V HN 1.235 nan 8.190 nan 0.000 0.432 160 K N 1.952 122.239 120.400 -0.188 0.000 2.472 160 K HA 0.178 4.497 4.320 -0.000 0.000 0.280 160 K C -0.241 176.308 176.600 -0.085 0.000 1.028 160 K CA -0.436 55.773 56.287 -0.130 0.000 1.045 160 K CB 0.472 32.923 32.500 -0.081 0.000 0.902 160 K HN 0.763 nan 8.250 nan 0.000 0.478 161 L N 5.061 126.243 121.223 -0.070 0.000 2.601 161 L HA 0.049 4.389 4.340 -0.000 0.000 0.277 161 L C 1.118 177.974 176.870 -0.023 0.000 1.219 161 L CA 2.259 57.074 54.840 -0.042 0.000 0.915 161 L CB 0.253 42.284 42.059 -0.046 0.000 1.160 161 L HN 1.001 nan 8.230 nan 0.000 0.494 162 G N 2.741 111.532 108.800 -0.014 0.000 2.253 162 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.209 162 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.209 162 G C 0.227 175.126 174.900 -0.003 0.000 0.997 162 G CA -0.126 44.971 45.100 -0.005 0.000 0.640 162 G HN 0.548 nan 8.290 nan 0.000 0.496 163 K N 1.063 121.456 120.400 -0.011 0.000 2.110 163 K HA 0.583 4.903 4.320 -0.000 0.000 0.263 163 K C 0.479 177.075 176.600 -0.007 0.000 0.975 163 K CA -0.844 55.427 56.287 -0.026 0.000 0.895 163 K CB 1.561 34.027 32.500 -0.056 0.000 1.060 163 K HN 0.166 nan 8.250 nan 0.000 0.448 164 I N 4.375 124.934 120.570 -0.019 0.000 2.471 164 I HA 0.073 4.243 4.170 -0.000 0.000 0.286 164 I C -1.893 174.188 176.117 -0.059 0.000 1.079 164 I CA -2.590 58.707 61.300 -0.004 0.000 1.398 164 I CB 0.155 38.149 38.000 -0.011 0.000 1.403 164 I HN 0.153 nan 8.210 nan 0.000 0.530 165 P HA 0.135 nan 4.420 nan 0.000 0.266 165 P C -0.068 177.153 177.300 -0.132 0.000 1.586 165 P CA -0.132 62.883 63.100 -0.143 0.000 1.088 165 P CB -0.115 31.456 31.700 -0.214 0.000 1.584 166 T N -1.441 113.048 114.554 -0.109 0.000 2.893 166 T HA 0.273 4.623 4.350 -0.000 0.000 0.279 166 T C 1.443 176.108 174.700 -0.058 0.000 0.991 166 T CA -0.663 61.386 62.100 -0.085 0.000 0.950 166 T CB 0.235 69.055 68.868 -0.080 0.000 1.223 166 T HN -0.075 nan 8.240 nan 0.000 0.585 167 V N 1.077 120.979 119.914 -0.020 0.000 2.287 167 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 167 V C 2.757 178.864 176.094 0.021 0.000 1.053 167 V CA 2.121 64.438 62.300 0.029 0.000 1.027 167 V CB -0.980 30.860 31.823 0.027 0.000 0.646 167 V HN 0.897 nan 8.190 nan 0.000 0.447 168 E N -0.220 119.969 120.200 -0.019 0.000 2.112 168 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 168 E C 2.083 178.657 176.600 -0.044 0.000 0.979 168 E CA 0.858 57.240 56.400 -0.031 0.000 0.814 168 E CB -0.199 29.477 29.700 -0.042 0.000 0.762 168 E HN 0.502 nan 8.360 nan 0.000 0.460 169 N N 0.750 119.413 118.700 -0.063 0.000 2.223 169 N HA -0.044 4.696 4.740 -0.000 0.000 0.185 169 N C 0.471 175.920 175.510 -0.102 0.000 1.016 169 N CA 0.532 53.532 53.050 -0.083 0.000 0.863 169 N CB -0.016 38.415 38.487 -0.093 0.000 0.983 169 N HN -0.072 nan 8.380 nan 0.000 0.429 170 S N 0.193 115.828 115.700 -0.108 0.000 2.614 170 S HA 0.331 4.801 4.470 -0.000 0.000 0.265 170 S C 0.279 174.805 174.600 -0.124 0.000 1.303 170 S CA -0.505 57.591 58.200 -0.174 0.000 1.000 170 S CB 1.474 64.511 63.200 -0.271 0.000 0.935 170 S HN 0.168 nan 8.310 nan 0.000 0.551 171 I N 1.057 121.493 120.570 -0.224 0.000 2.509 171 I HA 0.469 4.639 4.170 -0.000 0.000 0.293 171 I C -1.564 174.354 176.117 -0.332 0.000 1.020 171 I CA -0.979 60.192 61.300 -0.217 0.000 1.088 171 I CB 0.881 38.672 38.000 -0.348 0.000 1.267 171 I HN 0.493 nan 8.210 nan 0.000 0.430 172 F N 6.632 126.370 119.950 -0.354 0.000 2.404 172 F HA 0.335 4.862 4.527 -0.000 0.000 0.358 172 F C 1.318 176.974 175.800 -0.241 0.000 1.120 172 F CA -0.359 57.498 58.000 -0.239 0.000 1.144 172 F CB 0.631 39.514 39.000 -0.194 0.000 1.133 172 F HN 0.555 nan 8.300 nan 0.000 0.495 173 H N 3.742 122.831 119.070 0.032 0.000 2.329 173 H HA 0.173 4.729 4.556 -0.000 0.000 0.306 173 H C 0.483 175.861 175.328 0.083 0.000 1.062 173 H CA 1.239 57.227 56.048 -0.100 0.000 1.364 173 H CB 0.467 30.037 29.762 -0.320 0.000 1.409 173 H HN 0.546 nan 8.280 nan 0.000 0.519 174 M N -1.287 118.486 119.600 0.288 0.000 2.643 174 M HA 0.606 5.086 4.480 -0.000 0.000 0.276 174 M C -1.492 174.770 176.300 -0.064 0.000 1.200 174 M CA -1.009 54.433 55.300 0.238 0.000 0.863 174 M CB 2.431 35.190 32.600 0.266 0.000 1.711 174 M HN -0.066 nan 8.290 nan 0.000 0.492 175 A N 1.636 124.211 122.820 -0.409 0.000 2.511 175 A HA 0.713 5.033 4.320 -0.000 0.000 0.242 175 A C 0.079 177.428 177.584 -0.391 0.000 1.069 175 A CA 0.527 52.057 52.037 -0.844 0.000 0.763 175 A CB -0.506 18.195 19.000 -0.499 0.000 1.001 175 A HN 1.908 nan 8.150 nan 0.000 0.498 176 A N 2.163 124.785 122.820 -0.328 0.000 2.590 176 A HA 0.553 4.873 4.320 -0.000 0.000 0.296 176 A C -0.336 177.176 177.584 -0.120 0.000 1.050 176 A CA -0.133 51.727 52.037 -0.294 0.000 0.697 176 A CB 0.267 19.168 19.000 -0.165 0.000 1.277 176 A HN 1.634 nan 8.150 nan 0.000 0.411 177 W N 1.131 122.429 121.300 -0.003 0.000 2.653 177 W HA 0.589 5.249 4.660 -0.000 0.000 0.391 177 W C -0.071 176.469 176.519 0.035 0.000 0.962 177 W CA 0.216 57.566 57.345 0.007 0.000 1.900 177 W CB 0.280 29.746 29.460 0.009 0.000 1.176 177 W HN 0.924 nan 8.180 nan 0.000 0.582 178 S N 0.473 116.295 115.700 0.203 0.000 2.543 178 S HA 0.723 5.193 4.470 -0.000 0.000 0.273 178 S C -0.609 174.022 174.600 0.052 0.000 1.152 178 S CA -0.005 58.316 58.200 0.203 0.000 0.910 178 S CB 1.417 64.789 63.200 0.286 0.000 1.105 178 S HN 0.325 nan 8.310 nan 0.000 0.465 179 G N 1.084 109.931 108.800 0.078 0.000 2.725 179 G HA2 0.816 4.776 3.960 -0.000 0.000 0.288 179 G HA3 0.816 4.776 3.960 -0.000 0.000 0.288 179 G C -1.163 173.698 174.900 -0.066 0.000 1.399 179 G CA -0.414 44.718 45.100 0.053 0.000 0.859 179 G HN 1.039 nan 8.290 nan 0.000 0.479 180 S N -2.135 113.520 115.700 -0.075 0.000 2.611 180 S HA 0.850 5.320 4.470 -0.000 0.000 0.270 180 S C -1.281 173.251 174.600 -0.114 0.000 1.131 180 S CA 0.421 58.455 58.200 -0.278 0.000 0.826 180 S CB 1.265 64.309 63.200 -0.260 0.000 1.095 180 S HN 2.352 nan 8.310 nan 0.000 0.461 181 A N 0.589 123.321 122.820 -0.145 0.000 2.608 181 A HA 0.856 5.176 4.320 -0.000 0.000 0.292 181 A C -1.002 176.603 177.584 0.035 0.000 1.066 181 A CA -0.134 51.802 52.037 -0.169 0.000 0.676 181 A CB 0.498 19.043 19.000 -0.758 0.000 1.277 181 A HN 2.282 nan 8.150 nan 0.000 0.413 182 c N -0.627 118.045 118.600 0.119 0.000 3.289 182 c HA 0.761 5.331 4.570 -0.000 0.000 0.354 182 c C -0.889 173.194 174.090 -0.011 0.000 1.201 182 c CA -0.764 55.652 56.329 0.146 0.000 1.199 182 c CB 0.281 42.835 42.510 0.074 0.000 1.511 182 c HN 1.354 nan 8.230 nan 0.000 0.506 183 H N 0.836 119.694 119.070 -0.354 0.000 2.458 183 H HA 0.564 5.120 4.556 -0.000 0.000 0.330 183 H C 0.604 175.780 175.328 -0.254 0.000 1.111 183 H CA 0.370 56.041 56.048 -0.628 0.000 1.245 183 H CB 1.478 30.572 29.762 -1.115 0.000 1.456 183 H HN 0.837 nan 8.280 nan 0.000 0.488 184 D N 2.100 122.335 120.400 -0.274 0.000 2.369 184 D HA 0.162 4.802 4.640 -0.000 0.000 0.211 184 D C 1.498 177.888 176.300 0.150 0.000 1.077 184 D CA 0.589 54.580 54.000 -0.015 0.000 0.842 184 D CB 0.598 41.428 40.800 0.049 0.000 0.947 184 D HN 0.806 nan 8.370 nan 0.000 0.509 185 G N 0.523 109.409 108.800 0.143 0.000 2.307 185 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.210 185 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.210 185 G C 1.170 176.128 174.900 0.096 0.000 1.005 185 G CA 0.185 45.412 45.100 0.212 0.000 0.634 185 G HN 0.379 nan 8.290 nan 0.000 0.496 186 K N -0.144 120.214 120.400 -0.070 0.000 2.350 186 K HA 0.438 4.758 4.320 -0.000 0.000 0.196 186 K C 0.499 176.935 176.600 -0.273 0.000 1.084 186 K CA 0.879 57.084 56.287 -0.137 0.000 0.967 186 K CB 0.859 33.249 32.500 -0.183 0.000 0.950 186 K HN 0.283 nan 8.250 nan 0.000 0.512 187 E N -0.564 119.243 120.200 -0.655 0.000 2.388 187 E HA 0.169 4.519 4.350 -0.000 0.000 0.280 187 E C -1.984 174.055 176.600 -0.935 0.000 1.019 187 E CA -0.653 55.316 56.400 -0.717 0.000 0.806 187 E CB 0.552 29.818 29.700 -0.723 0.000 1.246 187 E HN 0.010 nan 8.360 nan 0.000 0.443 188 W N 1.956 122.950 121.300 -0.511 0.000 2.266 188 W HA 0.399 5.059 4.660 -0.000 0.000 0.317 188 W C 0.143 176.335 176.519 -0.545 0.000 1.310 188 W CA -0.003 57.068 57.345 -0.456 0.000 1.207 188 W CB 1.345 30.542 29.460 -0.439 0.000 1.199 188 W HN 0.197 nan 8.180 nan 0.000 0.544 189 T N 3.727 118.179 114.554 -0.171 0.000 2.794 189 T HA 0.391 4.741 4.350 -0.000 0.000 0.280 189 T C -1.184 173.324 174.700 -0.319 0.000 0.987 189 T CA -0.427 61.627 62.100 -0.076 0.000 0.993 189 T CB 0.441 69.350 68.868 0.067 0.000 0.939 189 T HN 0.062 nan 8.240 nan 0.000 0.449 190 Y N 1.833 122.173 120.300 0.067 0.000 2.409 190 Y HA 0.666 5.216 4.550 -0.000 0.000 0.343 190 Y C -0.109 175.772 175.900 -0.031 0.000 0.973 190 Y CA -1.207 56.868 58.100 -0.042 0.000 1.064 190 Y CB 1.163 39.570 38.460 -0.088 0.000 1.207 190 Y HN 0.461 nan 8.280 nan 0.000 0.452 191 I N 2.269 122.885 120.570 0.077 0.000 2.466 191 I HA 0.738 4.908 4.170 -0.000 0.000 0.289 191 I C -0.050 176.071 176.117 0.006 0.000 1.026 191 I CA -0.373 60.941 61.300 0.024 0.000 1.078 191 I CB 2.211 40.191 38.000 -0.034 0.000 1.249 191 I HN 0.784 nan 8.210 nan 0.000 0.429 192 G N 5.213 114.004 108.800 -0.015 0.000 2.741 192 G HA2 0.610 4.570 3.960 -0.000 0.000 0.293 192 G HA3 0.610 4.570 3.960 -0.000 0.000 0.293 192 G C -1.497 173.295 174.900 -0.179 0.000 1.457 192 G CA -0.440 44.613 45.100 -0.078 0.000 1.098 192 G HN 0.296 nan 8.290 nan 0.000 0.536 193 V N 3.279 123.005 119.914 -0.313 0.000 2.394 193 V HA 0.608 4.728 4.120 -0.000 0.000 0.282 193 V C -0.366 175.087 176.094 -1.068 0.000 1.031 193 V CA -0.531 61.444 62.300 -0.541 0.000 0.881 193 V CB 1.192 32.711 31.823 -0.506 0.000 0.982 193 V HN 0.963 nan 8.190 nan 0.000 0.451 194 D N 2.728 122.595 120.400 -0.888 0.000 2.837 194 D HA 0.789 5.428 4.640 -0.000 0.000 0.294 194 D C 0.082 176.184 176.300 -0.329 0.000 1.158 194 D CA 0.019 53.404 54.000 -1.025 0.000 1.073 194 D CB 1.609 42.060 40.800 -0.582 0.000 1.419 194 D HN 1.158 nan 8.370 nan 0.000 0.584 195 G N -0.745 108.083 108.800 0.047 0.000 2.592 195 G HA2 0.127 4.087 3.960 -0.000 0.000 0.684 195 G HA3 0.127 4.087 3.960 -0.000 0.000 0.684 195 G C -2.961 172.142 174.900 0.338 0.000 1.291 195 G CA -0.470 44.731 45.100 0.167 0.000 0.891 195 G HN 0.670 nan 8.290 nan 0.000 0.544 196 P HA 0.404 nan 4.420 nan 0.000 0.276 196 P C 0.667 178.066 177.300 0.166 0.000 1.252 196 P CA -0.218 62.984 63.100 0.170 0.000 0.802 196 P CB 1.030 32.790 31.700 0.100 0.000 1.035 197 E N 1.193 121.441 120.200 0.081 0.000 2.086 197 E HA -0.239 4.111 4.350 -0.000 0.000 0.205 197 E C 1.427 178.055 176.600 0.047 0.000 1.027 197 E CA 2.291 58.707 56.400 0.027 0.000 0.830 197 E CB -0.980 28.708 29.700 -0.020 0.000 0.751 197 E HN 0.715 nan 8.360 nan 0.000 0.456 198 N N -1.210 117.516 118.700 0.043 0.000 2.322 198 N HA -0.013 4.727 4.740 -0.000 0.000 0.194 198 N C 0.316 175.852 175.510 0.044 0.000 1.126 198 N CA 0.150 53.219 53.050 0.031 0.000 0.845 198 N CB 0.336 38.835 38.487 0.020 0.000 0.976 198 N HN -0.094 nan 8.380 nan 0.000 0.475 199 N N 0.338 119.083 118.700 0.074 0.000 2.542 199 N HA 0.160 4.900 4.740 -0.000 0.000 0.253 199 N C -0.938 174.640 175.510 0.113 0.000 1.461 199 N CA -0.173 52.927 53.050 0.083 0.000 1.115 199 N CB 0.488 39.017 38.487 0.071 0.000 1.439 199 N HN 0.358 nan 8.380 nan 0.000 0.533 200 A N 0.410 123.321 122.820 0.151 0.000 2.504 200 A HA 0.419 4.739 4.320 -0.000 0.000 0.242 200 A C -0.152 177.466 177.584 0.057 0.000 1.100 200 A CA 0.279 52.416 52.037 0.167 0.000 0.786 200 A CB 0.255 19.452 19.000 0.329 0.000 1.050 200 A HN 0.440 nan 8.150 nan 0.000 0.512 201 L N 0.111 121.308 121.223 -0.044 0.000 2.470 201 L HA 0.586 4.926 4.340 -0.000 0.000 0.268 201 L C -0.932 175.849 176.870 -0.148 0.000 0.964 201 L CA -0.305 54.473 54.840 -0.104 0.000 0.839 201 L CB 1.761 43.750 42.059 -0.117 0.000 1.276 201 L HN 0.742 nan 8.230 nan 0.000 0.403 202 L N 5.007 126.176 121.223 -0.091 0.000 2.292 202 L HA 0.552 4.892 4.340 -0.000 0.000 0.284 202 L C -0.841 175.996 176.870 -0.056 0.000 1.065 202 L CA -0.129 54.668 54.840 -0.071 0.000 0.806 202 L CB 0.514 42.578 42.059 0.009 0.000 1.175 202 L HN 0.638 nan 8.230 nan 0.000 0.431 203 K N 6.458 126.830 120.400 -0.046 0.000 2.316 203 K HA 0.608 4.928 4.320 -0.000 0.000 0.251 203 K C -1.312 175.324 176.600 0.060 0.000 0.934 203 K CA -0.659 55.637 56.287 0.014 0.000 0.802 203 K CB 2.543 35.057 32.500 0.024 0.000 1.171 203 K HN 0.513 nan 8.250 nan 0.000 0.426 204 I N 1.975 122.604 120.570 0.098 0.000 2.509 204 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 204 I C -0.704 175.499 176.117 0.142 0.000 1.020 204 I CA -0.863 60.497 61.300 0.100 0.000 1.088 204 I CB 2.087 40.119 38.000 0.055 0.000 1.267 204 I HN 0.472 nan 8.210 nan 0.000 0.430 205 K N 5.371 125.859 120.400 0.145 0.000 2.471 205 K HA 0.381 4.701 4.320 -0.000 0.000 0.252 205 K C -2.004 174.744 176.600 0.247 0.000 0.938 205 K CA -0.595 55.741 56.287 0.082 0.000 0.796 205 K CB 1.873 34.320 32.500 -0.089 0.000 1.161 205 K HN 0.496 nan 8.250 nan 0.000 0.425 206 Y N 4.595 124.927 120.300 0.053 0.000 2.388 206 Y HA 0.363 4.913 4.550 -0.000 0.000 0.328 206 Y C 0.638 176.603 175.900 0.110 0.000 0.963 206 Y CA 0.748 58.890 58.100 0.071 0.000 1.240 206 Y CB 1.067 39.545 38.460 0.030 0.000 1.118 206 Y HN 1.007 nan 8.280 nan 0.000 0.484 207 G N 4.701 113.463 108.800 -0.063 0.000 2.620 207 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.315 207 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.315 207 G C 0.860 175.839 174.900 0.131 0.000 1.179 207 G CA 0.824 45.960 45.100 0.059 0.000 0.971 207 G HN 0.501 nan 8.290 nan 0.000 0.544 208 E N 1.548 121.771 120.200 0.039 0.000 2.460 208 E HA 0.490 4.839 4.350 -0.000 0.000 0.200 208 E C 1.272 177.817 176.600 -0.092 0.000 1.011 208 E CA 0.771 57.160 56.400 -0.019 0.000 0.912 208 E CB 0.582 30.289 29.700 0.013 0.000 0.953 208 E HN 0.910 nan 8.360 nan 0.000 0.494 209 A N 0.919 123.715 122.820 -0.039 0.000 2.290 209 A HA 0.442 4.762 4.320 -0.000 0.000 0.310 209 A C -0.880 176.649 177.584 -0.092 0.000 1.202 209 A CA -0.446 51.587 52.037 -0.006 0.000 0.837 209 A CB -0.005 19.053 19.000 0.095 0.000 1.139 209 A HN -0.014 nan 8.150 nan 0.000 0.509 210 Y N 1.678 122.042 120.300 0.107 0.000 2.465 210 Y HA 0.244 4.794 4.550 -0.000 0.000 0.331 210 Y C 1.750 177.701 175.900 0.085 0.000 1.102 210 Y CA 1.008 59.164 58.100 0.094 0.000 1.358 210 Y CB 0.908 39.406 38.460 0.063 0.000 1.213 210 Y HN 0.790 nan 8.280 nan 0.000 0.525 211 T N -2.677 111.987 114.554 0.183 0.000 2.954 211 T HA 0.253 4.603 4.350 -0.000 0.000 0.252 211 T C -0.116 174.634 174.700 0.082 0.000 0.983 211 T CA 0.065 62.235 62.100 0.117 0.000 0.941 211 T CB 0.548 69.466 68.868 0.083 0.000 1.141 211 T HN 0.490 nan 8.240 nan 0.000 0.500 212 D N 0.489 120.940 120.400 0.086 0.000 2.710 212 D HA 0.472 5.112 4.640 -0.000 0.000 0.276 212 D C -1.445 174.885 176.300 0.050 0.000 1.267 212 D CA -0.037 53.998 54.000 0.058 0.000 0.772 212 D CB 2.027 42.848 40.800 0.035 0.000 1.299 212 D HN 0.336 nan 8.370 nan 0.000 0.421 213 T N -1.773 112.797 114.554 0.026 0.000 2.883 213 T HA 0.684 5.034 4.350 -0.000 0.000 0.301 213 T C -1.502 173.205 174.700 0.013 0.000 1.158 213 T CA -0.646 61.437 62.100 -0.028 0.000 1.007 213 T CB 1.609 70.383 68.868 -0.157 0.000 1.186 213 T HN 0.316 nan 8.240 nan 0.000 0.499 214 Y N 0.813 121.013 120.300 -0.166 0.000 2.442 214 Y HA 0.514 5.064 4.550 -0.000 0.000 0.344 214 Y C -0.233 175.565 175.900 -0.171 0.000 0.976 214 Y CA -0.847 57.194 58.100 -0.098 0.000 1.040 214 Y CB 1.641 40.095 38.460 -0.010 0.000 1.228 214 Y HN 0.798 nan 8.280 nan 0.000 0.451 215 H N 2.295 121.201 119.070 -0.273 0.000 2.472 215 H HA 0.186 4.742 4.556 -0.000 0.000 0.335 215 H C -0.155 175.160 175.328 -0.022 0.000 1.136 215 H CA -0.378 55.595 56.048 -0.125 0.000 1.264 215 H CB 2.042 31.714 29.762 -0.150 0.000 1.486 215 H HN 0.618 nan 8.280 nan 0.000 0.517 216 S N 1.835 117.619 115.700 0.139 0.000 2.563 216 S HA -0.100 4.370 4.470 -0.000 0.000 0.294 216 S C 0.589 175.244 174.600 0.091 0.000 1.279 216 S CA 0.063 58.305 58.200 0.069 0.000 1.069 216 S CB -0.150 63.075 63.200 0.041 0.000 0.828 216 S HN 0.654 nan 8.310 nan 0.000 0.497 217 Y N 2.361 122.720 120.300 0.099 0.000 2.500 217 Y HA 0.691 5.241 4.550 -0.000 0.000 0.246 217 Y C 1.024 176.963 175.900 0.065 0.000 1.146 217 Y CA -0.016 58.131 58.100 0.079 0.000 1.230 217 Y CB -0.180 38.358 38.460 0.130 0.000 1.214 217 Y HN 0.591 nan 8.280 nan 0.000 0.526 218 A N 0.316 122.996 122.820 -0.234 0.000 2.585 218 A HA 0.271 4.591 4.320 -0.000 0.000 0.266 218 A C 0.387 177.922 177.584 -0.081 0.000 1.178 218 A CA -0.048 51.927 52.037 -0.104 0.000 0.966 218 A CB -0.629 18.282 19.000 -0.149 0.000 1.170 218 A HN 0.435 nan 8.150 nan 0.000 0.558 219 N N 0.287 118.940 118.700 -0.077 0.000 2.735 219 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 219 N C -0.547 174.946 175.510 -0.028 0.000 1.083 219 N CA 1.046 54.079 53.050 -0.028 0.000 0.703 219 N CB -0.971 37.513 38.487 -0.005 0.000 1.005 219 N HN 0.438 nan 8.380 nan 0.000 0.550 220 N N 0.745 119.414 118.700 -0.051 0.000 2.732 220 N HA 0.272 5.012 4.740 -0.000 0.000 0.247 220 N C -0.855 174.637 175.510 -0.031 0.000 1.305 220 N CA -0.456 52.573 53.050 -0.036 0.000 0.762 220 N CB 0.206 38.668 38.487 -0.041 0.000 1.361 220 N HN 0.272 nan 8.380 nan 0.000 0.545 221 I N 0.971 121.548 120.570 0.011 0.000 7.316 221 I HA -0.331 3.839 4.170 -0.000 0.000 0.126 221 I C 0.069 176.251 176.117 0.108 0.000 1.806 221 I CA -0.004 61.334 61.300 0.064 0.000 2.125 221 I CB -0.832 37.143 38.000 -0.041 0.000 3.572 221 I HN 0.389 nan 8.210 nan 0.000 0.196 222 L N 4.395 125.689 121.223 0.117 0.000 2.615 222 L HA 0.213 4.553 4.340 -0.000 0.000 0.284 222 L C 0.635 177.635 176.870 0.218 0.000 1.237 222 L CA 1.334 56.230 54.840 0.093 0.000 0.905 222 L CB 0.212 42.317 42.059 0.077 0.000 1.149 222 L HN 0.450 nan 8.230 nan 0.000 0.499 223 R N 2.152 122.737 120.500 0.142 0.000 2.707 223 R HA 0.619 4.959 4.340 -0.000 0.000 0.272 223 R C -0.888 175.457 176.300 0.075 0.000 1.011 223 R CA -0.329 55.875 56.100 0.173 0.000 0.893 223 R CB 2.016 32.398 30.300 0.137 0.000 1.233 223 R HN 0.785 nan 8.270 nan 0.000 0.464 224 T N -0.858 113.732 114.554 0.060 0.000 2.604 224 T HA 0.197 4.547 4.350 -0.000 0.000 0.267 224 T C 0.284 174.966 174.700 -0.031 0.000 0.923 224 T CA -0.343 61.745 62.100 -0.020 0.000 1.077 224 T CB 1.587 70.420 68.868 -0.058 0.000 1.392 224 T HN 0.578 nan 8.240 nan 0.000 0.531 225 Q N -0.025 119.715 119.800 -0.099 0.000 2.172 225 Q HA 0.012 4.351 4.340 -0.000 0.000 0.200 225 Q C -0.134 175.795 176.000 -0.119 0.000 0.964 225 Q CA 0.927 56.658 55.803 -0.119 0.000 0.855 225 Q CB 0.122 28.757 28.738 -0.172 0.000 0.918 225 Q HN 0.586 nan 8.270 nan 0.000 0.444 226 E N -0.024 120.085 120.200 -0.152 0.000 2.586 226 E HA -0.181 4.169 4.350 -0.000 0.000 0.259 226 E C -0.576 175.753 176.600 -0.452 0.000 1.107 226 E CA 1.222 57.544 56.400 -0.131 0.000 0.754 226 E CB -2.208 27.598 29.700 0.176 0.000 1.335 226 E HN 0.453 nan 8.360 nan 0.000 0.411 227 S N -2.780 112.409 115.700 -0.851 0.000 2.636 227 S HA 0.730 5.200 4.470 -0.000 0.000 0.268 227 S C -0.298 173.770 174.600 -0.887 0.000 1.159 227 S CA -0.625 56.957 58.200 -1.031 0.000 0.815 227 S CB 1.698 64.756 63.200 -0.237 0.000 1.130 227 S HN 0.699 nan 8.310 nan 0.000 0.471 228 A N 0.823 123.399 122.820 -0.406 0.000 2.566 228 A HA 0.431 4.751 4.320 -0.000 0.000 0.245 228 A C 1.059 178.606 177.584 -0.063 0.000 1.056 228 A CA 0.043 52.037 52.037 -0.072 0.000 0.757 228 A CB -1.668 17.457 19.000 0.208 0.000 0.979 228 A HN 1.667 nan 8.150 nan 0.000 0.508 229 c N 2.120 120.689 118.600 -0.051 0.000 2.711 229 c HA 0.558 5.127 4.570 -0.000 0.000 0.306 229 c C 0.330 174.456 174.090 0.060 0.000 1.479 229 c CA -1.284 55.041 56.329 -0.006 0.000 2.271 229 c CB -0.060 42.437 42.510 -0.022 0.000 2.155 229 c HN 0.799 nan 8.230 nan 0.000 0.674 230 N N -0.369 118.377 118.700 0.076 0.000 2.480 230 N HA 0.384 5.124 4.740 -0.000 0.000 0.289 230 N C -1.610 174.071 175.510 0.285 0.000 1.073 230 N CA -0.135 53.004 53.050 0.148 0.000 0.885 230 N CB 1.730 40.124 38.487 -0.155 0.000 1.421 230 N HN 0.750 nan 8.380 nan 0.000 0.503 231 c N 2.553 121.344 118.600 0.318 0.000 2.355 231 c HA 0.669 5.239 4.570 -0.000 0.000 0.332 231 c C 0.558 174.722 174.090 0.123 0.000 1.255 231 c CA -0.793 55.643 56.329 0.178 0.000 1.792 231 c CB 0.140 42.652 42.510 0.003 0.000 2.300 231 c HN 0.668 nan 8.230 nan 0.000 0.515 232 I N 1.738 122.313 120.570 0.008 0.000 2.607 232 I HA 0.565 4.735 4.170 -0.000 0.000 0.290 232 I C 0.789 176.627 176.117 -0.464 0.000 1.129 232 I CA 0.345 61.465 61.300 -0.301 0.000 1.042 232 I CB 1.544 39.442 38.000 -0.169 0.000 1.242 232 I HN 0.941 nan 8.210 nan 0.000 0.421 233 G N 4.715 112.967 108.800 -0.913 0.000 2.321 233 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.287 233 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.287 233 G C 1.039 175.301 174.900 -1.064 0.000 1.018 233 G CA 0.637 45.274 45.100 -0.771 0.000 0.855 233 G HN 2.044 nan 8.290 nan 0.000 0.507 234 G N -1.594 106.518 108.800 -1.147 0.000 2.176 234 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.253 234 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.253 234 G C 0.150 174.525 174.900 -0.875 0.000 0.979 234 G CA 0.397 44.515 45.100 -1.637 0.000 0.641 234 G HN 1.010 nan 8.290 nan 0.000 0.530 235 N N 0.475 118.827 118.700 -0.579 0.000 2.422 235 N HA 0.470 5.210 4.740 -0.000 0.000 0.266 235 N C -0.192 175.094 175.510 -0.374 0.000 1.007 235 N CA 0.137 52.910 53.050 -0.461 0.000 0.941 235 N CB 1.278 39.543 38.487 -0.371 0.000 1.115 235 N HN 0.242 nan 8.380 nan 0.000 0.492 236 c N 2.848 121.202 118.600 -0.409 0.000 2.319 236 c HA 0.455 5.025 4.570 -0.000 0.000 0.335 236 c C -0.149 173.712 174.090 -0.382 0.000 1.274 236 c CA -0.809 55.373 56.329 -0.246 0.000 1.806 236 c CB -1.053 41.366 42.510 -0.152 0.000 2.329 236 c HN 0.558 nan 8.230 nan 0.000 0.524 237 Y N 2.514 122.789 120.300 -0.043 0.000 2.341 237 Y HA 0.665 5.215 4.550 -0.000 0.000 0.337 237 Y C -0.037 175.877 175.900 0.023 0.000 1.014 237 Y CA -0.693 57.396 58.100 -0.018 0.000 1.111 237 Y CB 1.112 39.539 38.460 -0.054 0.000 1.194 237 Y HN 0.540 nan 8.280 nan 0.000 0.462 238 L N 4.993 126.315 121.223 0.166 0.000 2.410 238 L HA 0.524 4.864 4.340 -0.000 0.000 0.270 238 L C -0.913 175.902 176.870 -0.091 0.000 0.983 238 L CA -0.851 54.010 54.840 0.035 0.000 0.822 238 L CB 1.642 43.655 42.059 -0.076 0.000 1.285 238 L HN 0.695 nan 8.230 nan 0.000 0.409 239 M N 6.428 125.844 119.600 -0.306 0.000 2.211 239 M HA 0.458 4.938 4.480 -0.000 0.000 0.356 239 M C -0.876 175.186 176.300 -0.397 0.000 1.216 239 M CA -0.244 54.594 55.300 -0.770 0.000 1.134 239 M CB 0.632 32.791 32.600 -0.736 0.000 1.564 239 M HN 0.732 nan 8.290 nan 0.000 0.463 240 I N 0.618 120.970 120.570 -0.363 0.000 3.042 240 I HA 0.771 4.941 4.170 -0.000 0.000 0.310 240 I C -0.885 175.209 176.117 -0.037 0.000 1.117 240 I CA -0.616 60.603 61.300 -0.135 0.000 1.003 240 I CB 2.581 40.549 38.000 -0.054 0.000 1.228 240 I HN 0.590 nan 8.210 nan 0.000 0.443 241 T N 0.849 115.429 114.554 0.044 0.000 2.843 241 T HA 0.487 4.837 4.350 -0.000 0.000 0.302 241 T C -2.087 172.608 174.700 -0.010 0.000 1.232 241 T CA -0.232 61.918 62.100 0.083 0.000 1.009 241 T CB 1.884 70.770 68.868 0.029 0.000 1.254 241 T HN 0.898 nan 8.240 nan 0.000 0.504 242 D N -0.519 119.812 120.400 -0.114 0.000 2.803 242 D HA 0.660 5.300 4.640 -0.000 0.000 0.218 242 D C -0.253 175.931 176.300 -0.193 0.000 1.245 242 D CA 0.944 54.774 54.000 -0.282 0.000 0.821 242 D CB 1.800 42.103 40.800 -0.829 0.000 1.626 242 D HN 1.074 nan 8.370 nan 0.000 0.487 243 G N 0.583 109.297 108.800 -0.142 0.000 2.334 243 G HA2 0.302 4.262 3.960 -0.000 0.000 0.315 243 G HA3 0.302 4.262 3.960 -0.000 0.000 0.315 243 G C -1.171 173.681 174.900 -0.080 0.000 1.284 243 G CA -0.181 44.858 45.100 -0.103 0.000 0.985 243 G HN 0.595 nan 8.290 nan 0.000 0.504 244 S N -0.152 115.510 115.700 -0.063 0.000 2.499 244 S HA 0.559 5.029 4.470 -0.000 0.000 0.275 244 S C 1.661 176.264 174.600 0.006 0.000 1.257 244 S CA 0.853 59.037 58.200 -0.027 0.000 1.050 244 S CB 1.009 64.204 63.200 -0.009 0.000 0.937 244 S HN 2.094 nan 8.310 nan 0.000 0.490 245 A N 4.294 127.133 122.820 0.032 0.000 2.125 245 A HA 0.015 4.334 4.320 -0.000 0.000 0.219 245 A C 2.099 179.742 177.584 0.099 0.000 1.156 245 A CA 1.677 53.771 52.037 0.094 0.000 0.671 245 A CB -0.475 18.549 19.000 0.041 0.000 0.794 245 A HN 0.743 nan 8.150 nan 0.000 0.459 246 S N -2.001 113.717 115.700 0.031 0.000 2.524 246 S HA 0.381 4.851 4.470 -0.000 0.000 0.215 246 S C 1.091 175.645 174.600 -0.075 0.000 0.986 246 S CA 0.345 58.519 58.200 -0.043 0.000 0.911 246 S CB 0.440 63.615 63.200 -0.042 0.000 0.805 246 S HN 0.783 nan 8.310 nan 0.000 0.501 247 G N 1.025 109.832 108.800 0.011 0.000 3.377 247 G HA2 0.472 4.432 3.960 -0.000 0.000 0.182 247 G HA3 0.472 4.432 3.960 -0.000 0.000 0.182 247 G C -0.781 174.206 174.900 0.146 0.000 1.166 247 G CA -0.495 44.637 45.100 0.054 0.000 0.771 247 G HN 0.146 nan 8.290 nan 0.000 0.701 248 I N 1.783 122.423 120.570 0.117 0.000 2.416 248 I HA 0.415 4.585 4.170 -0.000 0.000 0.288 248 I C -0.312 175.726 176.117 -0.131 0.000 1.051 248 I CA 0.005 61.348 61.300 0.073 0.000 1.375 248 I CB 0.694 38.743 38.000 0.082 0.000 1.407 248 I HN 0.051 nan 8.210 nan 0.000 0.516 249 S N 5.462 120.962 115.700 -0.333 0.000 2.524 249 S HA 0.196 4.666 4.470 -0.000 0.000 0.227 249 S C -0.175 174.347 174.600 -0.131 0.000 1.304 249 S CA -0.700 57.305 58.200 -0.325 0.000 1.185 249 S CB 0.836 63.681 63.200 -0.593 0.000 1.104 249 S HN 0.598 nan 8.310 nan 0.000 0.475 250 E N 2.459 122.679 120.200 0.034 0.000 2.089 250 E HA 0.309 4.659 4.350 -0.000 0.000 0.284 250 E C 0.426 177.140 176.600 0.190 0.000 1.023 250 E CA -0.641 55.827 56.400 0.114 0.000 0.819 250 E CB 0.383 30.164 29.700 0.135 0.000 1.076 250 E HN 0.775 nan 8.360 nan 0.000 0.396 251 C N 3.840 123.221 119.300 0.134 0.000 2.580 251 C HA 0.625 5.085 4.460 -0.000 0.000 0.371 251 C C 0.088 175.133 174.990 0.092 0.000 1.308 251 C CA -0.655 58.426 59.018 0.106 0.000 2.428 251 C CB 0.179 27.918 27.740 -0.000 0.000 2.529 251 C HN 0.845 nan 8.230 nan 0.000 0.657 252 R N 0.447 120.941 120.500 -0.011 0.000 2.888 252 R HA 0.713 5.053 4.340 -0.000 0.000 0.264 252 R C -1.710 174.447 176.300 -0.239 0.000 1.045 252 R CA -0.483 55.588 56.100 -0.049 0.000 0.962 252 R CB 1.340 31.558 30.300 -0.137 0.000 1.210 252 R HN 0.693 nan 8.270 nan 0.000 0.479 253 F N 0.936 120.801 119.950 -0.142 0.000 2.520 253 F HA 0.464 4.991 4.527 -0.000 0.000 0.322 253 F C -0.260 175.411 175.800 -0.213 0.000 1.103 253 F CA -0.799 57.123 58.000 -0.129 0.000 0.926 253 F CB 1.613 40.581 39.000 -0.053 0.000 1.154 253 F HN 0.020 nan 8.300 nan 0.000 0.453 254 L N 3.307 124.486 121.223 -0.074 0.000 2.309 254 L HA 0.488 4.828 4.340 -0.000 0.000 0.282 254 L C -0.312 176.479 176.870 -0.131 0.000 1.036 254 L CA -0.881 53.850 54.840 -0.180 0.000 0.806 254 L CB 1.742 43.627 42.059 -0.291 0.000 1.220 254 L HN 0.527 nan 8.230 nan 0.000 0.429 255 K N 4.270 124.540 120.400 -0.216 0.000 2.293 255 K HA 0.616 4.936 4.320 -0.000 0.000 0.267 255 K C -1.237 175.155 176.600 -0.348 0.000 1.010 255 K CA -0.398 55.634 56.287 -0.425 0.000 0.875 255 K CB 0.949 33.206 32.500 -0.406 0.000 1.106 255 K HN 0.524 nan 8.250 nan 0.000 0.450 256 I N 3.978 124.320 120.570 -0.381 0.000 2.465 256 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 256 I C -0.447 175.475 176.117 -0.324 0.000 1.014 256 I CA -0.921 60.210 61.300 -0.282 0.000 1.093 256 I CB 2.057 39.928 38.000 -0.215 0.000 1.267 256 I HN 0.532 nan 8.210 nan 0.000 0.431 257 R N 5.056 125.374 120.500 -0.303 0.000 2.476 257 R HA 0.327 4.667 4.340 -0.000 0.000 0.305 257 R C -0.486 175.577 176.300 -0.395 0.000 0.965 257 R CA -0.368 55.522 56.100 -0.350 0.000 0.867 257 R CB 1.087 31.204 30.300 -0.304 0.000 1.176 257 R HN 0.698 nan 8.270 nan 0.000 0.447 258 E N 2.572 122.428 120.200 -0.572 0.000 2.328 258 E HA -0.278 4.072 4.350 -0.000 0.000 0.233 258 E C 0.485 176.465 176.600 -1.034 0.000 1.219 258 E CA 0.929 56.676 56.400 -1.088 0.000 0.717 258 E CB -1.027 28.377 29.700 -0.493 0.000 1.210 258 E HN 1.149 nan 8.360 nan 0.000 0.381 259 G N -0.389 107.986 108.800 -0.708 0.000 2.176 259 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.253 259 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.253 259 G C 0.179 174.990 174.900 -0.148 0.000 0.979 259 G CA 0.401 45.336 45.100 -0.276 0.000 0.641 259 G HN 0.281 nan 8.290 nan 0.000 0.530 260 R N -0.541 119.848 120.500 -0.184 0.000 2.670 260 R HA 0.661 5.001 4.340 -0.000 0.000 0.289 260 R C -0.040 176.190 176.300 -0.116 0.000 0.965 260 R CA -0.991 55.044 56.100 -0.108 0.000 0.899 260 R CB 1.528 31.775 30.300 -0.088 0.000 1.173 260 R HN 0.199 nan 8.270 nan 0.000 0.456 261 I N 4.343 124.871 120.570 -0.069 0.000 2.396 261 I HA 0.084 4.254 4.170 -0.000 0.000 0.289 261 I C 1.423 177.498 176.117 -0.071 0.000 1.056 261 I CA 0.239 61.493 61.300 -0.077 0.000 1.365 261 I CB 0.785 38.775 38.000 -0.016 0.000 1.407 261 I HN 0.682 nan 8.210 nan 0.000 0.509 262 I N 2.483 122.986 120.570 -0.111 0.000 4.139 262 I HA 0.417 4.587 4.170 -0.000 0.000 0.335 262 I C 0.337 176.406 176.117 -0.081 0.000 1.327 262 I CA -0.098 61.147 61.300 -0.092 0.000 1.112 262 I CB 0.214 38.146 38.000 -0.114 0.000 1.058 262 I HN 0.435 nan 8.210 nan 0.000 0.396 263 K N 1.663 122.003 120.400 -0.101 0.000 2.572 263 K HA 0.394 4.714 4.320 -0.000 0.000 0.263 263 K C -1.433 175.079 176.600 -0.148 0.000 0.932 263 K CA -0.433 55.795 56.287 -0.098 0.000 0.838 263 K CB 2.335 34.783 32.500 -0.086 0.000 1.366 263 K HN 0.100 nan 8.250 nan 0.000 0.425 264 E N 3.288 123.368 120.200 -0.200 0.000 2.216 264 E HA 0.404 4.754 4.350 -0.000 0.000 0.279 264 E C -0.683 175.561 176.600 -0.593 0.000 0.997 264 E CA -0.558 55.600 56.400 -0.403 0.000 0.817 264 E CB 1.667 31.086 29.700 -0.468 0.000 1.096 264 E HN 0.331 nan 8.360 nan 0.000 0.393 265 I N 3.476 123.728 120.570 -0.530 0.000 2.418 265 I HA 0.289 4.459 4.170 -0.000 0.000 0.287 265 I C -1.082 174.812 176.117 -0.372 0.000 1.008 265 I CA -0.765 60.314 61.300 -0.369 0.000 1.104 265 I CB 0.845 38.799 38.000 -0.076 0.000 1.264 265 I HN 0.390 nan 8.210 nan 0.000 0.438 266 F N 6.430 126.413 119.950 0.054 0.000 2.361 266 F HA 0.495 5.022 4.527 -0.000 0.000 0.364 266 F C -2.095 173.742 175.800 0.062 0.000 1.117 266 F CA -2.567 55.459 58.000 0.043 0.000 1.071 266 F CB 0.359 39.364 39.000 0.009 0.000 1.188 266 F HN 0.203 nan 8.300 nan 0.000 0.464 267 P HA 0.251 nan 4.420 nan 0.000 0.272 267 P C -0.156 177.230 177.300 0.144 0.000 1.230 267 P CA -0.355 62.853 63.100 0.182 0.000 0.788 267 P CB 0.750 32.583 31.700 0.220 0.000 0.949 268 T N -2.007 112.608 114.554 0.102 0.000 2.950 268 T HA 0.735 5.085 4.350 -0.000 0.000 0.288 268 T C 0.425 175.139 174.700 0.024 0.000 1.035 268 T CA 0.026 62.162 62.100 0.060 0.000 1.028 268 T CB 1.535 70.432 68.868 0.048 0.000 1.109 268 T HN 0.769 nan 8.240 nan 0.000 0.514 269 G N 1.137 109.929 108.800 -0.014 0.000 2.516 269 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.220 269 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.220 269 G C -0.399 174.464 174.900 -0.061 0.000 1.165 269 G CA -0.447 44.611 45.100 -0.070 0.000 1.013 269 G HN 0.869 nan 8.290 nan 0.000 0.590 270 R N 1.615 122.061 120.500 -0.091 0.000 2.429 270 R HA 0.358 4.698 4.340 -0.000 0.000 0.302 270 R C 1.398 177.703 176.300 0.008 0.000 1.268 270 R CA 0.806 56.870 56.100 -0.059 0.000 1.090 270 R CB -0.167 30.076 30.300 -0.094 0.000 1.102 270 R HN 1.274 nan 8.270 nan 0.000 0.522 271 V N 1.122 121.051 119.914 0.026 0.000 3.556 271 V HA 0.142 4.262 4.120 -0.000 0.000 0.287 271 V C 2.012 178.156 176.094 0.084 0.000 1.422 271 V CA -0.061 62.281 62.300 0.069 0.000 1.038 271 V CB 0.004 31.870 31.823 0.072 0.000 0.850 271 V HN 0.474 nan 8.190 nan 0.000 0.437 272 K N 0.994 121.433 120.400 0.066 0.000 2.090 272 K HA -0.275 4.045 4.320 -0.000 0.000 0.218 272 K C 0.610 177.352 176.600 0.237 0.000 1.055 272 K CA 2.484 58.829 56.287 0.098 0.000 0.941 272 K CB -0.211 32.291 32.500 0.003 0.000 0.722 272 K HN 0.803 nan 8.250 nan 0.000 0.458 273 H N -1.241 117.928 119.070 0.165 0.000 3.240 273 H HA 0.210 4.766 4.556 -0.000 0.000 0.329 273 H C -1.813 173.581 175.328 0.109 0.000 1.024 273 H CA -0.657 55.491 56.048 0.165 0.000 1.487 273 H CB 1.648 31.549 29.762 0.232 0.000 1.909 273 H HN -0.029 nan 8.280 nan 0.000 0.465 274 T N 5.371 120.102 114.554 0.296 0.000 2.937 274 T HA 0.295 4.645 4.350 -0.000 0.000 0.297 274 T C -0.936 173.871 174.700 0.177 0.000 0.991 274 T CA -0.956 61.278 62.100 0.223 0.000 0.990 274 T CB 1.535 70.489 68.868 0.143 0.000 0.991 274 T HN 0.627 nan 8.240 nan 0.000 0.440 275 E N 1.314 121.608 120.200 0.157 0.000 2.433 275 E HA 0.477 4.827 4.350 -0.000 0.000 0.273 275 E C -0.907 175.710 176.600 0.028 0.000 0.950 275 E CA -1.296 55.155 56.400 0.086 0.000 0.796 275 E CB 1.536 31.309 29.700 0.121 0.000 1.330 275 E HN 0.620 nan 8.360 nan 0.000 0.455 276 E N -0.187 120.014 120.200 0.002 0.000 2.199 276 E HA -0.204 4.146 4.350 -0.000 0.000 0.208 276 E C -0.719 175.864 176.600 -0.029 0.000 1.310 276 E CA 0.129 56.510 56.400 -0.033 0.000 0.709 276 E CB -1.639 28.011 29.700 -0.083 0.000 1.127 276 E HN 0.389 nan 8.360 nan 0.000 0.354 277 c N 0.992 119.580 118.600 -0.020 0.000 2.634 277 c HA 0.087 4.657 4.570 -0.000 0.000 0.418 277 c C 1.259 175.373 174.090 0.040 0.000 1.373 277 c CA -0.033 56.309 56.329 0.021 0.000 1.756 277 c CB -0.056 42.481 42.510 0.045 0.000 2.589 277 c HN 0.310 nan 8.230 nan 0.000 0.602 278 T N 3.590 118.204 114.554 0.099 0.000 2.753 278 T HA 0.390 4.740 4.350 -0.000 0.000 0.297 278 T C -0.164 174.661 174.700 0.209 0.000 0.981 278 T CA -0.260 61.936 62.100 0.159 0.000 0.956 278 T CB 0.155 69.162 68.868 0.232 0.000 0.936 278 T HN 0.786 nan 8.240 nan 0.000 0.463 279 c N 2.751 121.429 118.600 0.130 0.000 2.614 279 c HA 1.026 5.596 4.570 -0.000 0.000 0.320 279 c C 0.934 175.031 174.090 0.011 0.000 1.200 279 c CA -0.550 55.833 56.329 0.090 0.000 1.700 279 c CB 1.284 43.826 42.510 0.054 0.000 2.275 279 c HN 1.114 nan 8.230 nan 0.000 0.492 280 G N 0.234 109.024 108.800 -0.016 0.000 2.649 280 G HA2 0.665 4.625 3.960 -0.000 0.000 0.290 280 G HA3 0.665 4.625 3.960 -0.000 0.000 0.290 280 G C -1.669 173.101 174.900 -0.217 0.000 1.426 280 G CA -0.498 44.579 45.100 -0.038 0.000 0.794 280 G HN 0.437 nan 8.290 nan 0.000 0.483 281 F N 0.993 120.896 119.950 -0.078 0.000 2.438 281 F HA 0.499 5.026 4.527 -0.000 0.000 0.356 281 F C 1.412 176.823 175.800 -0.648 0.000 1.099 281 F CA 0.251 58.102 58.000 -0.248 0.000 1.185 281 F CB 2.034 40.964 39.000 -0.116 0.000 1.115 281 F HN 0.554 nan 8.300 nan 0.000 0.526 282 A N 2.221 124.727 122.820 -0.524 0.000 2.081 282 A HA 0.325 4.645 4.320 -0.000 0.000 0.214 282 A C 0.606 178.114 177.584 -0.126 0.000 1.158 282 A CA 0.989 52.728 52.037 -0.497 0.000 0.724 282 A CB -0.214 18.622 19.000 -0.272 0.000 0.826 282 A HN 0.725 nan 8.150 nan 0.000 0.463 283 S N -2.921 112.769 115.700 -0.017 0.000 2.656 283 S HA 0.196 4.666 4.470 -0.000 0.000 0.265 283 S C -0.144 174.488 174.600 0.053 0.000 1.132 283 S CA -0.337 57.872 58.200 0.014 0.000 0.819 283 S CB -0.020 63.179 63.200 -0.002 0.000 1.119 283 S HN -0.003 nan 8.310 nan 0.000 0.476 284 N N 0.687 119.387 118.700 0.001 0.000 2.430 284 N HA -0.041 4.699 4.740 -0.000 0.000 0.186 284 N C 1.140 176.676 175.510 0.044 0.000 1.032 284 N CA 1.268 54.316 53.050 -0.002 0.000 0.893 284 N CB -0.300 38.181 38.487 -0.009 0.000 0.957 284 N HN 0.658 nan 8.380 nan 0.000 0.442 285 K N -0.722 119.698 120.400 0.034 0.000 2.335 285 K HA 0.097 4.417 4.320 -0.000 0.000 0.195 285 K C -0.377 176.214 176.600 -0.014 0.000 1.058 285 K CA 0.596 56.889 56.287 0.010 0.000 0.988 285 K CB 0.588 33.084 32.500 -0.005 0.000 0.880 285 K HN -0.098 nan 8.250 nan 0.000 0.513 286 T N 1.061 115.614 114.554 -0.001 0.000 2.879 286 T HA 0.434 4.784 4.350 -0.000 0.000 0.290 286 T C -0.574 174.050 174.700 -0.127 0.000 0.993 286 T CA -0.592 61.461 62.100 -0.077 0.000 0.975 286 T CB 1.790 70.612 68.868 -0.076 0.000 0.981 286 T HN 0.008 nan 8.240 nan 0.000 0.439 287 I N 2.812 123.221 120.570 -0.268 0.000 2.385 287 I HA 0.409 4.579 4.170 -0.000 0.000 0.294 287 I C 0.314 176.300 176.117 -0.218 0.000 0.988 287 I CA -0.586 60.487 61.300 -0.378 0.000 1.265 287 I CB 1.362 39.016 38.000 -0.576 0.000 1.388 287 I HN 0.553 nan 8.210 nan 0.000 0.480 288 E N 4.748 124.906 120.200 -0.070 0.000 2.288 288 E HA 0.577 4.927 4.350 -0.000 0.000 0.268 288 E C -1.628 175.011 176.600 0.065 0.000 0.885 288 E CA -0.719 55.685 56.400 0.007 0.000 0.767 288 E CB 2.439 32.311 29.700 0.287 0.000 1.220 288 E HN 0.484 nan 8.360 nan 0.000 0.427 289 c N 1.784 120.240 118.600 -0.241 0.000 2.535 289 c HA 0.714 5.283 4.570 -0.000 0.000 0.319 289 c C -0.116 173.729 174.090 -0.409 0.000 1.171 289 c CA -0.798 55.477 56.329 -0.091 0.000 1.394 289 c CB 0.849 43.393 42.510 0.057 0.000 1.990 289 c HN 0.806 nan 8.230 nan 0.000 0.466 290 A N 2.016 124.702 122.820 -0.224 0.000 2.260 290 A HA 0.747 5.067 4.320 -0.000 0.000 0.308 290 A C -0.008 177.579 177.584 0.005 0.000 1.254 290 A CA -0.146 51.781 52.037 -0.184 0.000 0.874 290 A CB 0.038 18.937 19.000 -0.169 0.000 1.153 290 A HN 1.005 nan 8.150 nan 0.000 0.527 291 c N 0.946 119.562 118.600 0.026 0.000 2.924 291 c HA 0.865 5.434 4.570 -0.000 0.000 0.399 291 c C 0.370 174.480 174.090 0.033 0.000 1.795 291 c CA -0.791 55.561 56.329 0.040 0.000 1.685 291 c CB 1.242 43.788 42.510 0.060 0.000 2.218 291 c HN 0.943 nan 8.230 nan 0.000 0.474 292 R N 1.026 121.542 120.500 0.026 0.000 2.561 292 R HA 0.438 4.778 4.340 -0.000 0.000 0.297 292 R C -1.970 174.328 176.300 -0.003 0.000 0.969 292 R CA -0.076 56.022 56.100 -0.004 0.000 0.879 292 R CB 1.246 31.525 30.300 -0.034 0.000 1.178 292 R HN 0.861 nan 8.270 nan 0.000 0.445 293 D N 2.921 123.279 120.400 -0.069 0.000 2.381 293 D HA 0.106 4.746 4.640 -0.000 0.000 0.235 293 D C -0.428 175.661 176.300 -0.353 0.000 1.068 293 D CA -0.324 53.556 54.000 -0.201 0.000 0.832 293 D CB 1.646 42.400 40.800 -0.078 0.000 1.101 293 D HN 0.663 nan 8.370 nan 0.000 0.515 294 N N 1.632 119.924 118.700 -0.680 0.000 2.280 294 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 294 N C 0.325 175.568 175.510 -0.446 0.000 1.109 294 N CA 0.233 53.029 53.050 -0.424 0.000 0.855 294 N CB 0.563 38.917 38.487 -0.223 0.000 0.974 294 N HN 0.155 nan 8.380 nan 0.000 0.482 295 S N -1.503 113.813 115.700 -0.641 0.000 2.931 295 S HA 0.183 4.653 4.470 -0.000 0.000 0.251 295 S C 0.623 174.942 174.600 -0.469 0.000 1.078 295 S CA -0.094 57.736 58.200 -0.616 0.000 0.835 295 S CB 0.007 62.569 63.200 -1.062 0.000 0.798 295 S HN 0.231 nan 8.310 nan 0.000 0.495 296 Y N 1.769 121.985 120.300 -0.140 0.000 2.522 296 Y HA 0.447 4.997 4.550 -0.000 0.000 0.277 296 Y C 1.226 177.066 175.900 -0.101 0.000 1.104 296 Y CA 0.285 58.333 58.100 -0.086 0.000 1.260 296 Y CB 0.190 38.622 38.460 -0.047 0.000 1.151 296 Y HN 0.215 nan 8.280 nan 0.000 0.539 297 T N -1.503 113.060 114.554 0.014 0.000 2.868 297 T HA 0.650 5.000 4.350 -0.000 0.000 0.306 297 T C 0.100 174.739 174.700 -0.102 0.000 1.224 297 T CA -0.122 61.946 62.100 -0.055 0.000 1.012 297 T CB 1.493 70.334 68.868 -0.046 0.000 1.221 297 T HN -0.004 nan 8.240 nan 0.000 0.499 298 A N 2.160 124.886 122.820 -0.157 0.000 2.308 298 A HA 0.368 4.688 4.320 -0.000 0.000 0.217 298 A C 0.737 178.241 177.584 -0.132 0.000 1.216 298 A CA 0.123 52.073 52.037 -0.144 0.000 0.864 298 A CB -0.171 18.735 19.000 -0.156 0.000 0.902 298 A HN 0.679 nan 8.150 nan 0.000 0.499 299 K N 1.165 121.467 120.400 -0.163 0.000 2.270 299 K HA 0.276 4.596 4.320 -0.000 0.000 0.276 299 K C -0.326 176.265 176.600 -0.016 0.000 1.023 299 K CA -0.303 55.943 56.287 -0.068 0.000 0.955 299 K CB 0.783 33.239 32.500 -0.073 0.000 0.975 299 K HN 0.278 nan 8.250 nan 0.000 0.471 300 R N 3.180 123.691 120.500 0.017 0.000 2.389 300 R HA 0.149 4.489 4.340 -0.000 0.000 0.295 300 R C -2.284 174.082 176.300 0.110 0.000 1.075 300 R CA -1.881 54.249 56.100 0.049 0.000 1.005 300 R CB 0.229 30.561 30.300 0.053 0.000 0.987 300 R HN 0.367 nan 8.270 nan 0.000 0.452 301 P HA -0.021 nan 4.420 nan 0.000 0.269 301 P C -0.999 176.459 177.300 0.263 0.000 1.209 301 P CA 0.265 63.466 63.100 0.167 0.000 0.776 301 P CB 0.378 32.159 31.700 0.135 0.000 0.876 302 F N 2.712 122.787 119.950 0.207 0.000 2.536 302 F HA 0.373 4.900 4.527 -0.000 0.000 0.322 302 F C -0.912 175.133 175.800 0.409 0.000 1.144 302 F CA -0.738 57.422 58.000 0.267 0.000 0.924 302 F CB 1.265 40.458 39.000 0.321 0.000 1.181 302 F HN -0.045 nan 8.300 nan 0.000 0.438 303 V N 5.587 125.511 119.914 0.017 0.000 2.472 303 V HA 0.442 4.562 4.120 -0.000 0.000 0.290 303 V C -0.640 175.472 176.094 0.029 0.000 1.037 303 V CA -0.881 61.506 62.300 0.146 0.000 0.908 303 V CB 1.754 33.651 31.823 0.122 0.000 0.985 303 V HN 0.596 nan 8.190 nan 0.000 0.454 304 K N 4.783 125.273 120.400 0.150 0.000 2.483 304 K HA 0.541 4.861 4.320 -0.000 0.000 0.256 304 K C -1.243 175.313 176.600 -0.074 0.000 0.961 304 K CA -0.436 55.849 56.287 -0.005 0.000 0.873 304 K CB 2.080 34.540 32.500 -0.066 0.000 1.107 304 K HN 0.515 nan 8.250 nan 0.000 0.432 305 L N 3.477 124.564 121.223 -0.227 0.000 2.287 305 L HA 0.323 4.663 4.340 -0.000 0.000 0.287 305 L C -0.626 176.080 176.870 -0.274 0.000 1.022 305 L CA -0.653 53.984 54.840 -0.339 0.000 0.814 305 L CB 0.946 42.638 42.059 -0.612 0.000 1.217 305 L HN 0.613 nan 8.230 nan 0.000 0.420 306 N N 4.100 122.684 118.700 -0.194 0.000 2.406 306 N HA 0.050 4.790 4.740 -0.000 0.000 0.251 306 N C 0.635 176.032 175.510 -0.188 0.000 1.069 306 N CA -0.270 52.691 53.050 -0.148 0.000 0.947 306 N CB 1.781 40.224 38.487 -0.072 0.000 1.111 306 N HN 0.563 nan 8.380 nan 0.000 0.497 307 V N 1.135 120.919 119.914 -0.217 0.000 3.573 307 V HA 0.111 4.231 4.120 -0.000 0.000 0.270 307 V C 1.286 177.354 176.094 -0.043 0.000 1.221 307 V CA 0.908 63.066 62.300 -0.238 0.000 1.163 307 V CB -0.475 31.151 31.823 -0.328 0.000 0.847 307 V HN 0.531 nan 8.190 nan 0.000 0.468 308 E N 1.816 121.999 120.200 -0.028 0.000 2.102 308 E HA -0.052 4.297 4.350 -0.000 0.000 0.190 308 E C 2.252 178.856 176.600 0.006 0.000 0.971 308 E CA 1.407 57.810 56.400 0.005 0.000 0.821 308 E CB -0.105 29.597 29.700 0.004 0.000 0.777 308 E HN 0.810 nan 8.360 nan 0.000 0.460 309 T N -1.694 112.855 114.554 -0.008 0.000 3.065 309 T HA 0.002 4.352 4.350 -0.000 0.000 0.252 309 T C 0.138 174.837 174.700 -0.002 0.000 1.099 309 T CA 0.071 62.170 62.100 -0.000 0.000 1.063 309 T CB 0.065 68.933 68.868 -0.000 0.000 0.948 309 T HN -0.115 nan 8.240 nan 0.000 0.506 310 D N 2.384 122.773 120.400 -0.018 0.000 2.746 310 D HA -0.113 4.527 4.640 -0.000 0.000 0.241 310 D C -0.161 176.119 176.300 -0.033 0.000 1.140 310 D CA 1.454 55.444 54.000 -0.015 0.000 0.707 310 D CB -1.683 39.142 40.800 0.042 0.000 1.034 310 D HN 0.816 nan 8.370 nan 0.000 0.423 311 T N -2.856 111.664 114.554 -0.057 0.000 2.893 311 T HA 0.828 5.178 4.350 -0.000 0.000 0.291 311 T C -0.356 174.306 174.700 -0.063 0.000 1.028 311 T CA -0.458 61.625 62.100 -0.029 0.000 0.995 311 T CB 2.809 71.680 68.868 0.006 0.000 1.051 311 T HN 0.347 nan 8.240 nan 0.000 0.470 312 A N 1.564 124.367 122.820 -0.029 0.000 2.435 312 A HA 0.843 5.163 4.320 -0.000 0.000 0.304 312 A C -0.759 176.869 177.584 0.072 0.000 1.064 312 A CA -0.824 51.190 52.037 -0.039 0.000 0.727 312 A CB 1.756 20.667 19.000 -0.149 0.000 1.284 312 A HN 0.980 nan 8.150 nan 0.000 0.415 313 E N 1.085 121.376 120.200 0.150 0.000 2.317 313 E HA 0.713 5.063 4.350 -0.000 0.000 0.270 313 E C -1.711 175.066 176.600 0.295 0.000 0.885 313 E CA -0.534 55.995 56.400 0.214 0.000 0.760 313 E CB 1.655 31.550 29.700 0.325 0.000 1.227 313 E HN 0.589 nan 8.360 nan 0.000 0.434 314 I N 3.346 123.983 120.570 0.112 0.000 2.499 314 I HA 0.522 4.692 4.170 -0.000 0.000 0.288 314 I C -0.365 175.629 176.117 -0.205 0.000 1.048 314 I CA -0.670 60.698 61.300 0.114 0.000 1.062 314 I CB 1.866 39.946 38.000 0.135 0.000 1.238 314 I HN 0.372 nan 8.210 nan 0.000 0.426 315 R N 4.971 125.271 120.500 -0.332 0.000 2.774 315 R HA 0.639 4.979 4.340 -0.000 0.000 0.272 315 R C -1.210 175.018 176.300 -0.120 0.000 1.000 315 R CA -1.130 54.651 56.100 -0.533 0.000 0.906 315 R CB 2.500 32.037 30.300 -1.272 0.000 1.227 315 R HN 0.442 nan 8.270 nan 0.000 0.468 316 L N 2.208 123.384 121.223 -0.078 0.000 2.461 316 L HA 0.197 4.537 4.340 -0.000 0.000 0.272 316 L C 0.618 177.551 176.870 0.106 0.000 1.197 316 L CA 0.217 55.081 54.840 0.039 0.000 0.836 316 L CB 0.277 42.330 42.059 -0.011 0.000 1.105 316 L HN 0.433 nan 8.230 nan 0.000 0.477 317 M N 1.914 121.589 119.600 0.125 0.000 2.269 317 M HA -0.063 4.417 4.480 -0.000 0.000 0.350 317 M C 0.975 177.284 176.300 0.016 0.000 1.429 317 M CA 0.084 55.408 55.300 0.040 0.000 1.063 317 M CB 0.684 33.267 32.600 -0.028 0.000 1.841 317 M HN 0.775 nan 8.290 nan 0.000 0.455 318 c N 2.549 121.145 118.600 -0.005 0.000 2.514 318 c HA -0.004 4.566 4.570 -0.000 0.000 0.271 318 c C 1.664 175.752 174.090 -0.004 0.000 1.399 318 c CA 0.443 56.776 56.329 0.006 0.000 1.765 318 c CB -0.489 42.024 42.510 0.005 0.000 1.893 318 c HN 0.895 nan 8.230 nan 0.000 0.531 319 T N 0.982 115.493 114.554 -0.072 0.000 2.937 319 T HA -0.032 4.318 4.350 -0.000 0.000 0.316 319 T C 1.191 175.802 174.700 -0.149 0.000 1.079 319 T CA 0.693 62.714 62.100 -0.133 0.000 1.131 319 T CB 0.483 69.212 68.868 -0.233 0.000 1.000 319 T HN 0.767 nan 8.240 nan 0.000 0.549 320 E N 1.582 121.625 120.200 -0.261 0.000 2.481 320 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 320 E C 0.315 176.356 176.600 -0.932 0.000 1.047 320 E CA 0.229 56.315 56.400 -0.523 0.000 0.867 320 E CB -0.055 29.461 29.700 -0.306 0.000 0.858 320 E HN 0.482 nan 8.360 nan 0.000 0.513 321 T N 2.469 116.675 114.554 -0.579 0.000 3.414 321 T HA 0.105 4.455 4.350 -0.000 0.000 0.304 321 T C -0.958 173.471 174.700 -0.452 0.000 1.241 321 T CA -0.437 61.347 62.100 -0.527 0.000 1.076 321 T CB -0.651 67.959 68.868 -0.429 0.000 1.134 321 T HN 0.083 nan 8.240 nan 0.000 0.759 322 Y N 1.594 121.773 120.300 -0.201 0.000 2.544 322 Y HA 0.154 4.703 4.550 -0.000 0.000 0.330 322 Y C 1.221 177.002 175.900 -0.199 0.000 1.136 322 Y CA -1.288 56.706 58.100 -0.176 0.000 1.417 322 Y CB 0.126 38.514 38.460 -0.119 0.000 1.229 322 Y HN 0.463 nan 8.280 nan 0.000 0.532 323 L N 1.358 122.560 121.223 -0.034 0.000 2.585 323 L HA 0.101 4.441 4.340 -0.000 0.000 0.226 323 L C 0.649 177.496 176.870 -0.039 0.000 1.113 323 L CA 0.188 54.967 54.840 -0.102 0.000 0.876 323 L CB 0.071 42.053 42.059 -0.128 0.000 1.072 323 L HN 0.598 nan 8.230 nan 0.000 0.468 324 D N -0.210 120.180 120.400 -0.016 0.000 2.411 324 D HA 0.282 4.922 4.640 -0.000 0.000 0.251 324 D C -0.417 175.869 176.300 -0.023 0.000 1.201 324 D CA 0.298 54.285 54.000 -0.022 0.000 0.996 324 D CB 1.484 42.262 40.800 -0.036 0.000 1.101 324 D HN -0.201 nan 8.370 nan 0.000 0.504 325 T N 1.746 116.280 114.554 -0.033 0.000 2.991 325 T HA 0.404 4.754 4.350 -0.000 0.000 0.303 325 T C -2.547 172.117 174.700 -0.060 0.000 1.015 325 T CA -0.994 61.080 62.100 -0.044 0.000 1.007 325 T CB 2.040 70.877 68.868 -0.052 0.000 1.034 325 T HN 0.147 nan 8.240 nan 0.000 0.446 326 P HA 0.360 nan 4.420 nan 0.000 0.270 326 P C -0.500 176.774 177.300 -0.042 0.000 1.227 326 P CA -0.418 62.651 63.100 -0.051 0.000 0.788 326 P CB 0.492 32.160 31.700 -0.055 0.000 0.926 327 R N 0.230 120.716 120.500 -0.023 0.000 2.663 327 R HA 0.627 4.967 4.340 -0.000 0.000 0.267 327 R C -3.104 173.208 176.300 0.020 0.000 1.038 327 R CA -1.926 54.172 56.100 -0.003 0.000 0.886 327 R CB 0.756 31.084 30.300 0.046 0.000 1.249 327 R HN 0.163 nan 8.270 nan 0.000 0.463 328 P HA 0.186 nan 4.420 nan 0.000 0.293 328 P C -0.883 176.493 177.300 0.127 0.000 1.304 328 P CA -0.360 62.774 63.100 0.057 0.000 0.767 328 P CB 0.360 32.076 31.700 0.026 0.000 1.247 329 D N -0.034 120.421 120.400 0.093 0.000 2.400 329 D HA 0.059 4.699 4.640 -0.000 0.000 0.238 329 D C -0.054 176.294 176.300 0.081 0.000 1.157 329 D CA 0.473 54.511 54.000 0.064 0.000 0.889 329 D CB -0.097 40.722 40.800 0.032 0.000 1.199 329 D HN 0.233 nan 8.370 nan 0.000 0.436 330 D N -0.127 120.237 120.400 -0.060 0.000 2.455 330 D HA 0.288 4.928 4.640 -0.000 0.000 0.241 330 D C 1.564 177.741 176.300 -0.205 0.000 1.138 330 D CA 0.758 54.579 54.000 -0.298 0.000 0.877 330 D CB 0.770 41.398 40.800 -0.287 0.000 1.187 330 D HN 0.585 nan 8.370 nan 0.000 0.451 331 G N 1.611 110.212 108.800 -0.331 0.000 2.184 331 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 331 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 331 G C 1.022 175.986 174.900 0.106 0.000 0.975 331 G CA 0.881 45.942 45.100 -0.065 0.000 0.642 331 G HN 0.633 nan 8.290 nan 0.000 0.536 332 S N -0.524 115.285 115.700 0.182 0.000 2.593 332 S HA 0.447 4.917 4.470 -0.000 0.000 0.217 332 S C 0.915 175.578 174.600 0.106 0.000 0.966 332 S CA 0.036 58.308 58.200 0.121 0.000 0.914 332 S CB -0.020 63.236 63.200 0.094 0.000 0.776 332 S HN 0.514 nan 8.310 nan 0.000 0.523 333 I N 3.963 124.629 120.570 0.158 0.000 2.322 333 I HA 0.168 4.338 4.170 -0.000 0.000 0.292 333 I C 0.873 177.013 176.117 0.038 0.000 1.060 333 I CA -0.388 60.925 61.300 0.021 0.000 1.309 333 I CB 0.816 38.722 38.000 -0.156 0.000 1.415 333 I HN 0.243 nan 8.210 nan 0.000 0.492 334 T N 2.684 117.243 114.554 0.009 0.000 2.816 334 T HA 0.745 5.095 4.350 -0.000 0.000 0.282 334 T C 0.496 175.193 174.700 -0.005 0.000 0.993 334 T CA 0.030 62.134 62.100 0.007 0.000 0.994 334 T CB 1.697 70.566 68.868 0.000 0.000 1.025 334 T HN 1.047 nan 8.240 nan 0.000 0.529 335 G N 1.416 110.214 108.800 -0.005 0.000 2.685 335 G HA2 0.124 4.083 3.960 -0.000 0.000 0.387 335 G HA3 0.124 4.083 3.960 -0.000 0.000 0.387 335 G C -2.791 172.104 174.900 -0.009 0.000 1.324 335 G CA -0.475 44.618 45.100 -0.012 0.000 0.878 335 G HN 0.903 nan 8.290 nan 0.000 0.527 336 P HA 0.467 nan 4.420 nan 0.000 0.317 336 P C 1.407 178.699 177.300 -0.013 0.000 1.307 336 P CA 0.150 63.243 63.100 -0.012 0.000 0.749 336 P CB 0.190 31.879 31.700 -0.017 0.000 1.377 337 c N -0.175 118.418 118.600 -0.011 0.000 2.398 337 c HA -0.120 4.449 4.570 -0.000 0.000 0.279 337 c C 2.301 176.372 174.090 -0.031 0.000 1.250 337 c CA 1.356 57.678 56.329 -0.011 0.000 1.786 337 c CB -1.453 41.054 42.510 -0.005 0.000 2.018 337 c HN 0.627 nan 8.230 nan 0.000 0.494 338 E N 0.923 121.095 120.200 -0.047 0.000 2.427 338 E HA 0.019 4.369 4.350 -0.000 0.000 0.196 338 E C 0.698 177.260 176.600 -0.064 0.000 1.028 338 E CA 0.264 56.625 56.400 -0.065 0.000 0.864 338 E CB -0.418 29.235 29.700 -0.079 0.000 0.813 338 E HN 0.472 nan 8.360 nan 0.000 0.514 339 S N 2.317 117.983 115.700 -0.056 0.000 2.562 339 S HA 0.076 4.546 4.470 -0.000 0.000 0.281 339 S C 1.016 175.567 174.600 -0.082 0.000 1.333 339 S CA -0.516 57.646 58.200 -0.063 0.000 1.052 339 S CB 0.768 63.936 63.200 -0.053 0.000 0.884 339 S HN 0.180 nan 8.310 nan 0.000 0.506 340 N N 2.334 120.986 118.700 -0.080 0.000 2.062 340 N HA -0.046 4.694 4.740 -0.000 0.000 0.191 340 N C 1.753 177.183 175.510 -0.133 0.000 1.042 340 N CA 1.544 54.544 53.050 -0.082 0.000 0.845 340 N CB -0.519 37.943 38.487 -0.043 0.000 1.024 340 N HN 0.703 nan 8.380 nan 0.000 0.424 341 G N -0.266 108.451 108.800 -0.138 0.000 2.850 341 G HA2 0.061 4.020 3.960 -0.000 0.000 0.207 341 G HA3 0.061 4.020 3.960 -0.000 0.000 0.207 341 G C 0.073 174.930 174.900 -0.072 0.000 1.174 341 G CA -0.005 45.044 45.100 -0.084 0.000 0.844 341 G HN 0.116 nan 8.290 nan 0.000 0.635 342 D N -0.225 120.118 120.400 -0.095 0.000 2.326 342 D HA 0.424 5.064 4.640 -0.000 0.000 0.248 342 D C -0.051 176.198 176.300 -0.085 0.000 1.001 342 D CA -0.501 53.456 54.000 -0.071 0.000 0.961 342 D CB 1.564 42.332 40.800 -0.053 0.000 1.183 342 D HN 0.095 nan 8.370 nan 0.000 0.502 343 K N -0.156 120.208 120.400 -0.061 0.000 3.016 343 K HA -0.189 4.131 4.320 -0.000 0.000 0.262 343 K C 1.081 177.635 176.600 -0.077 0.000 1.043 343 K CA 0.573 56.823 56.287 -0.061 0.000 0.761 343 K CB -1.214 31.254 32.500 -0.053 0.000 1.230 343 K HN 0.604 nan 8.250 nan 0.000 0.485 344 G N 0.444 109.198 108.800 -0.077 0.000 2.623 344 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.214 344 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.214 344 G C 0.338 175.169 174.900 -0.115 0.000 1.138 344 G CA 0.483 45.530 45.100 -0.088 0.000 0.794 344 G HN 0.430 nan 8.290 nan 0.000 0.535 345 S N -0.088 115.546 115.700 -0.110 0.000 2.545 345 S HA 0.582 5.052 4.470 -0.000 0.000 0.275 345 S C 0.494 175.025 174.600 -0.114 0.000 1.299 345 S CA 0.501 58.619 58.200 -0.137 0.000 1.048 345 S CB 1.073 64.202 63.200 -0.119 0.000 0.938 345 S HN 1.714 nan 8.310 nan 0.000 0.496 346 G N 1.721 110.446 108.800 -0.124 0.000 2.757 346 G HA2 0.436 4.396 3.960 -0.000 0.000 0.638 346 G HA3 0.436 4.396 3.960 -0.000 0.000 0.638 346 G C -0.013 174.829 174.900 -0.096 0.000 1.344 346 G CA -0.391 44.653 45.100 -0.094 0.000 0.855 346 G HN 2.327 nan 8.290 nan 0.000 0.537 347 G N -1.563 107.198 108.800 -0.065 0.000 2.315 347 G HA2 0.638 4.597 3.960 -0.000 0.000 0.294 347 G HA3 0.638 4.597 3.960 -0.000 0.000 0.294 347 G C -1.490 173.406 174.900 -0.007 0.000 1.300 347 G CA 0.171 45.239 45.100 -0.053 0.000 0.843 347 G HN 1.831 nan 8.290 nan 0.000 0.527 348 I N -0.258 120.307 120.570 -0.008 0.000 2.827 348 I HA 0.519 4.689 4.170 -0.000 0.000 0.298 348 I C -0.242 175.803 176.117 -0.119 0.000 1.235 348 I CA -1.009 60.308 61.300 0.028 0.000 1.021 348 I CB 2.219 40.252 38.000 0.054 0.000 1.259 348 I HN 0.663 nan 8.210 nan 0.000 0.427 349 K N 3.893 124.022 120.400 -0.452 0.000 2.382 349 K HA 0.479 4.798 4.320 -0.000 0.000 0.275 349 K C -0.387 176.142 176.600 -0.119 0.000 1.009 349 K CA 0.018 56.031 56.287 -0.458 0.000 0.970 349 K CB 0.878 32.787 32.500 -0.986 0.000 0.934 349 K HN 0.758 nan 8.250 nan 0.000 0.479 350 G N 1.731 110.531 108.800 0.000 0.000 2.495 350 G HA2 0.509 4.469 3.960 -0.000 0.000 0.318 350 G HA3 0.509 4.469 3.960 -0.000 0.000 0.318 350 G C -0.520 174.491 174.900 0.184 0.000 1.257 350 G CA -0.944 44.218 45.100 0.103 0.000 0.962 350 G HN 0.745 nan 8.290 nan 0.000 0.483 351 G N -0.747 108.175 108.800 0.203 0.000 2.483 351 G HA2 0.509 4.469 3.960 -0.000 0.000 0.248 351 G HA3 0.509 4.469 3.960 -0.000 0.000 0.248 351 G C -1.134 173.949 174.900 0.305 0.000 1.248 351 G CA -0.073 45.157 45.100 0.217 0.000 0.838 351 G HN 0.969 nan 8.290 nan 0.000 0.566 352 F N 1.888 121.866 119.950 0.046 0.000 2.688 352 F HA 0.492 5.019 4.527 -0.000 0.000 0.332 352 F C -1.535 174.199 175.800 -0.110 0.000 1.131 352 F CA -1.079 56.863 58.000 -0.097 0.000 1.113 352 F CB 0.961 39.916 39.000 -0.076 0.000 1.359 352 F HN 0.619 nan 8.300 nan 0.000 0.551 353 V N 5.598 125.090 119.914 -0.704 0.000 3.087 353 V HA 0.551 4.670 4.120 -0.000 0.000 0.306 353 V C -1.447 174.288 176.094 -0.598 0.000 1.187 353 V CA -0.542 61.397 62.300 -0.601 0.000 0.999 353 V CB 2.441 34.173 31.823 -0.150 0.000 1.049 353 V HN 0.851 nan 8.190 nan 0.000 0.431 354 H N 3.030 121.948 119.070 -0.253 0.000 2.467 354 H HA 0.546 5.101 4.556 -0.000 0.000 0.331 354 H C -0.295 175.099 175.328 0.110 0.000 1.120 354 H CA -0.160 55.857 56.048 -0.053 0.000 1.270 354 H CB 1.294 31.028 29.762 -0.046 0.000 1.466 354 H HN 0.603 nan 8.280 nan 0.000 0.504 355 Q N 2.956 122.964 119.800 0.346 0.000 2.394 355 Q HA 0.293 4.633 4.340 -0.000 0.000 0.259 355 Q C -0.822 175.338 176.000 0.266 0.000 1.021 355 Q CA -0.842 55.162 55.803 0.336 0.000 0.805 355 Q CB 0.458 29.530 28.738 0.556 0.000 1.226 355 Q HN 0.606 nan 8.270 nan 0.000 0.476 356 R N 3.825 124.439 120.500 0.191 0.000 2.198 356 R HA 0.394 4.734 4.340 -0.000 0.000 0.339 356 R C -0.399 175.973 176.300 0.121 0.000 1.020 356 R CA 0.059 56.244 56.100 0.141 0.000 0.864 356 R CB 0.954 31.310 30.300 0.093 0.000 1.105 356 R HN 0.497 nan 8.270 nan 0.000 0.463 357 M N 0.620 120.295 119.600 0.125 0.000 2.753 357 M HA 0.359 4.839 4.480 -0.000 0.000 0.299 357 M C 1.291 177.631 176.300 0.066 0.000 1.219 357 M CA -0.416 54.942 55.300 0.097 0.000 0.900 357 M CB 1.597 34.265 32.600 0.113 0.000 1.628 357 M HN 0.679 nan 8.290 nan 0.000 0.502 358 A N -0.014 122.835 122.820 0.047 0.000 1.859 358 A HA -0.117 4.202 4.320 -0.000 0.000 0.217 358 A C 1.630 179.232 177.584 0.030 0.000 1.198 358 A CA 2.238 54.293 52.037 0.031 0.000 0.629 358 A CB -0.536 18.476 19.000 0.021 0.000 0.830 358 A HN 0.691 nan 8.150 nan 0.000 0.446 359 S N -1.313 114.407 115.700 0.033 0.000 2.809 359 S HA 0.360 4.830 4.470 -0.000 0.000 0.248 359 S C -0.203 174.422 174.600 0.041 0.000 1.071 359 S CA -0.380 57.838 58.200 0.030 0.000 1.059 359 S CB 0.005 63.215 63.200 0.018 0.000 0.923 359 S HN 0.554 nan 8.310 nan 0.000 0.516 360 K N 1.165 121.603 120.400 0.065 0.000 2.568 360 K HA 0.547 4.867 4.320 -0.000 0.000 0.273 360 K C -2.150 174.535 176.600 0.142 0.000 0.951 360 K CA -0.629 55.716 56.287 0.097 0.000 0.854 360 K CB 1.832 34.383 32.500 0.086 0.000 1.424 360 K HN 0.224 nan 8.250 nan 0.000 0.427 361 I N 1.774 122.450 120.570 0.177 0.000 2.534 361 I HA 0.488 4.658 4.170 -0.000 0.000 0.288 361 I C -0.578 175.660 176.117 0.201 0.000 1.077 361 I CA -0.394 61.021 61.300 0.192 0.000 1.051 361 I CB 1.806 39.896 38.000 0.151 0.000 1.234 361 I HN 0.696 nan 8.210 nan 0.000 0.425 362 G N 6.598 115.502 108.800 0.173 0.000 2.348 362 G HA2 0.574 4.534 3.960 -0.000 0.000 0.312 362 G HA3 0.574 4.534 3.960 -0.000 0.000 0.312 362 G C -0.887 173.912 174.900 -0.170 0.000 1.126 362 G CA -0.654 44.292 45.100 -0.257 0.000 0.865 362 G HN 0.621 nan 8.290 nan 0.000 0.474 363 R N 0.938 121.234 120.500 -0.340 0.000 2.343 363 R HA 0.322 4.662 4.340 -0.000 0.000 0.320 363 R C -1.385 174.642 176.300 -0.455 0.000 0.956 363 R CA -0.509 55.459 56.100 -0.220 0.000 0.836 363 R CB 1.882 32.200 30.300 0.029 0.000 1.151 363 R HN 0.559 nan 8.270 nan 0.000 0.450 364 W N 2.963 124.008 121.300 -0.425 0.000 2.520 364 W HA 0.426 5.086 4.660 -0.000 0.000 0.323 364 W C -0.483 175.827 176.519 -0.349 0.000 1.062 364 W CA -0.222 56.909 57.345 -0.357 0.000 1.215 364 W CB 0.982 30.173 29.460 -0.450 0.000 1.340 364 W HN 0.457 nan 8.180 nan 0.000 0.516 365 Y N 0.940 121.375 120.300 0.224 0.000 2.609 365 Y HA 0.623 5.173 4.550 -0.000 0.000 0.342 365 Y C 0.231 176.242 175.900 0.185 0.000 1.058 365 Y CA -1.319 56.906 58.100 0.207 0.000 1.055 365 Y CB 2.258 40.784 38.460 0.110 0.000 1.292 365 Y HN 0.299 nan 8.280 nan 0.000 0.476 366 S N 1.413 117.308 115.700 0.326 0.000 2.570 366 S HA 0.949 5.419 4.470 -0.000 0.000 0.286 366 S C -1.123 173.583 174.600 0.176 0.000 1.099 366 S CA -0.963 57.386 58.200 0.249 0.000 0.913 366 S CB 2.729 66.017 63.200 0.146 0.000 1.085 366 S HN 0.894 nan 8.310 nan 0.000 0.480 367 R N -0.444 120.160 120.500 0.172 0.000 2.710 367 R HA 0.627 4.966 4.340 -0.000 0.000 0.270 367 R C -0.650 175.712 176.300 0.104 0.000 1.021 367 R CA -0.714 55.435 56.100 0.083 0.000 0.889 367 R CB 0.483 30.754 30.300 -0.048 0.000 1.243 367 R HN 0.762 nan 8.270 nan 0.000 0.464 368 T N -0.365 114.226 114.554 0.062 0.000 2.906 368 T HA 0.054 4.404 4.350 -0.000 0.000 0.320 368 T C 1.023 175.762 174.700 0.065 0.000 1.088 368 T CA -0.393 61.741 62.100 0.056 0.000 1.120 368 T CB 0.492 69.370 68.868 0.016 0.000 1.000 368 T HN 0.582 nan 8.240 nan 0.000 0.550 369 M N 1.499 121.136 119.600 0.061 0.000 2.156 369 M HA 0.159 4.638 4.480 -0.000 0.000 0.264 369 M C 1.448 177.772 176.300 0.040 0.000 1.067 369 M CA 0.914 56.250 55.300 0.061 0.000 1.131 369 M CB -0.628 32.000 32.600 0.047 0.000 1.368 369 M HN 0.827 nan 8.290 nan 0.000 0.416 370 S N -0.098 115.616 115.700 0.024 0.000 2.562 370 S HA 0.154 4.624 4.470 -0.000 0.000 0.275 370 S C 0.983 175.583 174.600 -0.000 0.000 1.281 370 S CA -0.400 57.805 58.200 0.009 0.000 1.045 370 S CB 0.754 63.954 63.200 -0.001 0.000 0.962 370 S HN 0.330 nan 8.310 nan 0.000 0.503 371 K N 2.347 122.746 120.400 -0.001 0.000 2.296 371 K HA 0.010 4.330 4.320 -0.000 0.000 0.200 371 K C 1.095 177.684 176.600 -0.018 0.000 1.048 371 K CA 1.082 57.366 56.287 -0.004 0.000 0.966 371 K CB 0.035 32.537 32.500 0.004 0.000 0.754 371 K HN 0.594 nan 8.250 nan 0.000 0.466 372 T N -0.214 114.324 114.554 -0.026 0.000 2.987 372 T HA 0.134 4.484 4.350 -0.000 0.000 0.248 372 T C 0.255 174.918 174.700 -0.062 0.000 0.997 372 T CA 0.215 62.291 62.100 -0.039 0.000 1.013 372 T CB 0.676 69.527 68.868 -0.030 0.000 1.077 372 T HN -0.029 nan 8.240 nan 0.000 0.483 373 K N 1.139 121.502 120.400 -0.062 0.000 2.350 373 K HA 0.526 4.846 4.320 -0.000 0.000 0.241 373 K C -0.541 175.984 176.600 -0.125 0.000 0.994 373 K CA -0.834 55.398 56.287 -0.091 0.000 0.839 373 K CB 1.833 34.303 32.500 -0.049 0.000 1.244 373 K HN -0.121 nan 8.250 nan 0.000 0.443 374 R N 1.610 121.978 120.500 -0.220 0.000 4.390 374 R HA 0.255 4.594 4.340 -0.000 0.000 0.229 374 R C -0.486 175.770 176.300 -0.073 0.000 1.674 374 R CA -0.086 55.825 56.100 -0.316 0.000 1.526 374 R CB 0.055 29.765 30.300 -0.983 0.000 1.418 374 R HN 0.212 nan 8.270 nan 0.000 0.790 375 M N 0.602 120.201 119.600 -0.002 0.000 2.326 375 M HA 0.406 4.886 4.480 -0.000 0.000 0.306 375 M C 0.449 176.783 176.300 0.056 0.000 1.054 375 M CA -0.566 54.769 55.300 0.058 0.000 0.922 375 M CB 1.649 34.274 32.600 0.042 0.000 1.632 375 M HN 0.553 nan 8.290 nan 0.000 0.436 376 G N 2.799 111.642 108.800 0.072 0.000 2.829 376 G HA2 0.005 3.965 3.960 -0.000 0.000 0.628 376 G HA3 0.005 3.965 3.960 -0.000 0.000 0.628 376 G C -1.189 173.750 174.900 0.066 0.000 1.412 376 G CA -0.565 44.570 45.100 0.058 0.000 0.864 376 G HN 0.776 nan 8.290 nan 0.000 0.544 377 M N 0.556 120.184 119.600 0.047 0.000 2.298 377 M HA 0.607 5.087 4.480 -0.000 0.000 0.255 377 M C -0.004 176.305 176.300 0.014 0.000 1.021 377 M CA 0.567 55.897 55.300 0.050 0.000 0.968 377 M CB 1.361 33.989 32.600 0.046 0.000 2.037 377 M HN 1.856 nan 8.290 nan 0.000 0.478 378 G N 3.009 111.859 108.800 0.084 0.000 2.410 378 G HA2 0.657 4.617 3.960 -0.000 0.000 0.330 378 G HA3 0.657 4.617 3.960 -0.000 0.000 0.330 378 G C -1.910 173.013 174.900 0.038 0.000 1.142 378 G CA -0.621 44.488 45.100 0.015 0.000 0.902 378 G HN 0.745 nan 8.290 nan 0.000 0.491 379 L N 0.876 122.004 121.223 -0.158 0.000 2.317 379 L HA 0.742 5.082 4.340 -0.000 0.000 0.281 379 L C -1.303 175.466 176.870 -0.169 0.000 1.024 379 L CA -0.953 53.857 54.840 -0.050 0.000 0.810 379 L CB 1.019 43.014 42.059 -0.108 0.000 1.240 379 L HN 0.538 nan 8.230 nan 0.000 0.427 380 Y N 3.272 123.609 120.300 0.062 0.000 2.570 380 Y HA 0.772 5.321 4.550 -0.000 0.000 0.345 380 Y C -0.608 175.264 175.900 -0.046 0.000 1.014 380 Y CA -0.909 57.201 58.100 0.016 0.000 1.063 380 Y CB 2.320 40.782 38.460 0.003 0.000 1.272 380 Y HN 0.430 nan 8.280 nan 0.000 0.477 381 V N 1.990 121.845 119.914 -0.097 0.000 2.971 381 V HA 0.715 4.835 4.120 -0.000 0.000 0.309 381 V C -1.758 174.117 176.094 -0.365 0.000 1.130 381 V CA -0.747 61.237 62.300 -0.527 0.000 0.964 381 V CB 2.264 33.268 31.823 -1.365 0.000 1.029 381 V HN 0.799 nan 8.190 nan 0.000 0.427 382 K N 3.805 123.935 120.400 -0.451 0.000 2.525 382 K HA 0.587 4.907 4.320 -0.000 0.000 0.254 382 K C -2.265 174.085 176.600 -0.417 0.000 0.934 382 K CA -0.515 55.602 56.287 -0.284 0.000 0.802 382 K CB 1.851 34.295 32.500 -0.093 0.000 1.295 382 K HN 0.630 nan 8.250 nan 0.000 0.433 383 Y N 3.233 123.473 120.300 -0.100 0.000 2.330 383 Y HA 0.275 4.825 4.550 -0.000 0.000 0.336 383 Y C 0.360 176.245 175.900 -0.026 0.000 1.036 383 Y CA 0.154 58.217 58.100 -0.061 0.000 1.125 383 Y CB 1.088 39.514 38.460 -0.057 0.000 1.194 383 Y HN 0.804 nan 8.280 nan 0.000 0.469 384 D N 0.676 121.147 120.400 0.119 0.000 3.582 384 D HA -0.142 4.498 4.640 -0.000 0.000 0.258 384 D C 0.586 176.899 176.300 0.022 0.000 1.930 384 D CA 1.726 55.769 54.000 0.072 0.000 1.144 384 D CB -0.744 40.100 40.800 0.073 0.000 0.858 384 D HN 1.082 nan 8.370 nan 0.000 1.045 385 G N -0.031 108.773 108.800 0.006 0.000 2.741 385 G HA2 0.091 4.051 3.960 -0.000 0.000 0.222 385 G HA3 0.091 4.051 3.960 -0.000 0.000 0.222 385 G C -1.073 173.794 174.900 -0.055 0.000 1.364 385 G CA 0.555 45.642 45.100 -0.021 0.000 0.866 385 G HN 0.868 nan 8.290 nan 0.000 0.555 386 D N 0.051 120.404 120.400 -0.078 0.000 2.473 386 D HA 0.596 5.236 4.640 -0.000 0.000 0.253 386 D C -1.325 174.870 176.300 -0.175 0.000 1.233 386 D CA -2.043 51.875 54.000 -0.135 0.000 0.908 386 D CB 1.723 42.486 40.800 -0.062 0.000 1.170 386 D HN 0.017 nan 8.370 nan 0.000 0.558 387 P HA -0.030 nan 4.420 nan 0.000 0.225 387 P C 1.027 178.194 177.300 -0.221 0.000 1.148 387 P CA 0.518 63.361 63.100 -0.429 0.000 0.779 387 P CB 0.133 31.262 31.700 -0.952 0.000 0.780 388 W N 0.135 121.274 121.300 -0.269 0.000 2.467 388 W HA 0.042 4.702 4.660 -0.000 0.000 0.275 388 W C 1.849 178.311 176.519 -0.095 0.000 1.239 388 W CA 1.869 59.128 57.345 -0.144 0.000 1.266 388 W CB -1.556 27.862 29.460 -0.069 0.000 1.112 388 W HN 0.150 nan 8.180 nan 0.000 0.576 389 T N -4.856 109.774 114.554 0.128 0.000 2.975 389 T HA 0.114 4.463 4.350 -0.000 0.000 0.261 389 T C -0.199 174.509 174.700 0.013 0.000 0.984 389 T CA -0.201 61.937 62.100 0.064 0.000 0.911 389 T CB 0.054 68.963 68.868 0.069 0.000 1.127 389 T HN -0.339 nan 8.240 nan 0.000 0.514 390 D N 2.792 123.181 120.400 -0.018 0.000 2.336 390 D HA 0.342 4.982 4.640 -0.000 0.000 0.249 390 D C 1.202 177.472 176.300 -0.050 0.000 1.213 390 D CA 0.142 54.118 54.000 -0.040 0.000 0.870 390 D CB 1.458 42.220 40.800 -0.063 0.000 1.076 390 D HN 0.389 nan 8.370 nan 0.000 0.483 391 S N 1.470 117.147 115.700 -0.038 0.000 2.528 391 S HA -0.013 4.457 4.470 -0.000 0.000 0.219 391 S C 0.576 175.136 174.600 -0.067 0.000 0.985 391 S CA -0.432 57.742 58.200 -0.043 0.000 0.914 391 S CB 0.155 63.342 63.200 -0.023 0.000 0.776 391 S HN 0.287 nan 8.310 nan 0.000 0.526 392 D N 3.018 123.380 120.400 -0.063 0.000 2.478 392 D HA 0.340 4.980 4.640 -0.000 0.000 0.234 392 D C 0.449 176.692 176.300 -0.095 0.000 1.154 392 D CA 0.664 54.624 54.000 -0.066 0.000 0.874 392 D CB 0.683 41.453 40.800 -0.050 0.000 1.198 392 D HN 0.498 nan 8.370 nan 0.000 0.455 393 A N 2.196 124.961 122.820 -0.092 0.000 2.445 393 A HA 0.202 4.522 4.320 -0.000 0.000 0.242 393 A C -0.094 177.438 177.584 -0.086 0.000 1.075 393 A CA -0.428 51.543 52.037 -0.111 0.000 0.777 393 A CB 0.241 19.189 19.000 -0.086 0.000 1.013 393 A HN 0.398 nan 8.150 nan 0.000 0.493 394 L N 1.596 122.759 121.223 -0.100 0.000 2.380 394 L HA 0.400 4.740 4.340 -0.000 0.000 0.273 394 L C 1.016 177.931 176.870 0.075 0.000 1.138 394 L CA 0.339 55.155 54.840 -0.040 0.000 0.832 394 L CB 0.553 42.556 42.059 -0.094 0.000 1.124 394 L HN 0.771 nan 8.230 nan 0.000 0.454 395 A N 4.220 127.062 122.820 0.036 0.000 2.454 395 A HA 0.318 4.638 4.320 -0.000 0.000 0.260 395 A C -0.224 177.363 177.584 0.004 0.000 1.106 395 A CA -0.422 51.627 52.037 0.019 0.000 0.780 395 A CB -0.192 18.797 19.000 -0.018 0.000 1.044 395 A HN 0.626 nan 8.150 nan 0.000 0.498 396 L N 3.892 125.076 121.223 -0.065 0.000 2.456 396 L HA 0.257 4.597 4.340 -0.000 0.000 0.277 396 L C 1.280 178.000 176.870 -0.251 0.000 1.124 396 L CA 1.053 55.668 54.840 -0.374 0.000 0.880 396 L CB 0.584 42.456 42.059 -0.312 0.000 1.192 396 L HN 0.719 nan 8.230 nan 0.000 0.463 397 S N 3.288 118.833 115.700 -0.259 0.000 2.421 397 S HA 0.473 4.943 4.470 -0.000 0.000 0.224 397 S C 0.653 175.227 174.600 -0.042 0.000 1.035 397 S CA 0.479 58.646 58.200 -0.054 0.000 0.953 397 S CB -0.129 63.145 63.200 0.123 0.000 0.810 397 S HN 1.051 nan 8.310 nan 0.000 0.497 398 G N -0.385 108.338 108.800 -0.127 0.000 2.368 398 G HA2 0.429 4.389 3.960 -0.000 0.000 0.293 398 G HA3 0.429 4.389 3.960 -0.000 0.000 0.293 398 G C -1.913 172.913 174.900 -0.122 0.000 1.467 398 G CA -0.508 44.545 45.100 -0.080 0.000 0.804 398 G HN 0.201 nan 8.290 nan 0.000 0.535 399 V N 1.875 121.750 119.914 -0.065 0.000 2.348 399 V HA 0.264 4.384 4.120 -0.000 0.000 0.270 399 V C 1.183 177.229 176.094 -0.079 0.000 1.037 399 V CA -0.125 62.136 62.300 -0.064 0.000 0.872 399 V CB 0.977 32.789 31.823 -0.018 0.000 1.002 399 V HN 0.779 nan 8.190 nan 0.000 0.464 400 M N 3.958 123.443 119.600 -0.192 0.000 2.388 400 M HA 0.139 4.619 4.480 -0.000 0.000 0.265 400 M C -0.054 176.199 176.300 -0.078 0.000 1.088 400 M CA 1.109 56.199 55.300 -0.350 0.000 1.134 400 M CB 0.422 32.547 32.600 -0.792 0.000 1.384 400 M HN 0.434 nan 8.290 nan 0.000 0.447 401 V N 0.687 120.579 119.914 -0.036 0.000 2.567 401 V HA 0.197 4.317 4.120 -0.000 0.000 0.298 401 V C -0.105 175.999 176.094 0.015 0.000 1.047 401 V CA -1.160 61.150 62.300 0.017 0.000 0.880 401 V CB 1.716 33.566 31.823 0.045 0.000 1.009 401 V HN 0.358 nan 8.190 nan 0.000 0.429 402 S N 4.502 120.208 115.700 0.010 0.000 2.584 402 S HA 0.199 4.669 4.470 -0.000 0.000 0.270 402 S C 1.158 175.771 174.600 0.022 0.000 1.346 402 S CA -0.032 58.175 58.200 0.012 0.000 1.018 402 S CB 0.686 63.886 63.200 0.001 0.000 0.899 402 S HN 0.826 nan 8.310 nan 0.000 0.542 403 M N 0.707 120.321 119.600 0.023 0.000 2.530 403 M HA -0.052 4.428 4.480 -0.000 0.000 0.261 403 M C 1.134 177.451 176.300 0.028 0.000 1.067 403 M CA 1.611 56.927 55.300 0.027 0.000 1.071 403 M CB -0.682 31.932 32.600 0.023 0.000 1.405 403 M HN 0.823 nan 8.290 nan 0.000 0.478 404 E N -0.067 120.147 120.200 0.023 0.000 2.447 404 E HA 0.090 4.440 4.350 -0.000 0.000 0.195 404 E C 0.005 176.622 176.600 0.028 0.000 1.028 404 E CA 0.304 56.717 56.400 0.022 0.000 0.876 404 E CB 0.206 29.913 29.700 0.012 0.000 0.885 404 E HN 0.460 nan 8.360 nan 0.000 0.500 405 E N 0.877 121.097 120.200 0.033 0.000 2.222 405 E HA 0.287 4.637 4.350 -0.000 0.000 0.267 405 E C -2.414 174.233 176.600 0.078 0.000 0.963 405 E CA -2.417 54.008 56.400 0.041 0.000 0.837 405 E CB 1.156 30.873 29.700 0.028 0.000 1.183 405 E HN -0.068 nan 8.360 nan 0.000 0.403 406 P HA 0.223 nan 4.420 nan 0.000 0.279 406 P C -0.508 176.948 177.300 0.260 0.000 1.239 406 P CA -0.425 62.800 63.100 0.208 0.000 0.789 406 P CB 0.826 32.609 31.700 0.138 0.000 0.933 407 G N 2.275 111.303 108.800 0.379 0.000 3.003 407 G HA2 0.417 4.376 3.960 -0.000 0.000 0.293 407 G HA3 0.417 4.376 3.960 -0.000 0.000 0.293 407 G C -1.064 174.062 174.900 0.377 0.000 1.553 407 G CA -0.385 44.897 45.100 0.303 0.000 1.078 407 G HN 0.335 nan 8.290 nan 0.000 0.550 408 W N 0.800 122.163 121.300 0.104 0.000 1.931 408 W HA 0.544 5.204 4.660 -0.000 0.000 0.642 408 W C 0.313 177.018 176.519 0.310 0.000 1.377 408 W CA -0.924 56.518 57.345 0.161 0.000 1.021 408 W CB -0.518 28.984 29.460 0.069 0.000 3.491 408 W HN 0.317 nan 8.180 nan 0.000 0.756 409 Y N 1.660 122.210 120.300 0.416 0.000 2.757 409 Y HA 0.210 4.760 4.550 -0.000 0.000 0.344 409 Y C 0.752 176.852 175.900 0.335 0.000 1.263 409 Y CA -0.465 57.836 58.100 0.334 0.000 1.493 409 Y CB -0.441 38.235 38.460 0.361 0.000 1.342 409 Y HN 0.034 nan 8.280 nan 0.000 0.627 410 S N 2.793 118.741 115.700 0.413 0.000 2.564 410 S HA 0.889 5.359 4.470 -0.000 0.000 0.274 410 S C -1.215 173.591 174.600 0.343 0.000 1.124 410 S CA -0.959 57.413 58.200 0.286 0.000 0.869 410 S CB 2.263 65.558 63.200 0.158 0.000 1.105 410 S HN 0.508 nan 8.310 nan 0.000 0.472 411 F N -1.649 118.465 119.950 0.273 0.000 2.686 411 F HA 0.947 5.474 4.527 -0.000 0.000 0.311 411 F C -0.242 175.748 175.800 0.316 0.000 1.128 411 F CA -0.957 57.204 58.000 0.268 0.000 0.946 411 F CB 0.924 40.100 39.000 0.294 0.000 1.336 411 F HN 0.892 nan 8.300 nan 0.000 0.457 412 G N 0.429 109.529 108.800 0.501 0.000 2.453 412 G HA2 0.766 4.726 3.960 -0.000 0.000 0.323 412 G HA3 0.766 4.726 3.960 -0.000 0.000 0.323 412 G C -1.853 173.408 174.900 0.603 0.000 1.198 412 G CA -0.933 44.388 45.100 0.369 0.000 0.959 412 G HN 1.204 nan 8.290 nan 0.000 0.482 413 F N -1.509 118.587 119.950 0.243 0.000 2.817 413 F HA 0.780 5.307 4.527 -0.000 0.000 0.317 413 F C -1.149 174.744 175.800 0.156 0.000 1.168 413 F CA -1.333 56.812 58.000 0.241 0.000 0.911 413 F CB 1.452 40.659 39.000 0.345 0.000 1.337 413 F HN 0.434 nan 8.300 nan 0.000 0.464 414 E N 1.802 122.152 120.200 0.251 0.000 2.275 414 E HA 0.547 4.897 4.350 -0.000 0.000 0.270 414 E C -1.351 175.362 176.600 0.188 0.000 0.882 414 E CA -0.775 55.665 56.400 0.067 0.000 0.758 414 E CB 3.212 32.972 29.700 0.100 0.000 1.195 414 E HN 0.536 nan 8.360 nan 0.000 0.419 415 I N 2.021 122.641 120.570 0.082 0.000 2.428 415 I HA 0.271 4.441 4.170 -0.000 0.000 0.296 415 I C -0.076 176.076 176.117 0.059 0.000 0.985 415 I CA -0.942 60.431 61.300 0.123 0.000 1.260 415 I CB 0.916 38.969 38.000 0.088 0.000 1.389 415 I HN 0.120 nan 8.210 nan 0.000 0.484 416 K N 4.045 124.482 120.400 0.062 0.000 2.300 416 K HA 0.223 4.543 4.320 -0.000 0.000 0.264 416 K C -0.509 176.103 176.600 0.019 0.000 1.083 416 K CA -0.392 55.915 56.287 0.034 0.000 0.958 416 K CB 0.019 32.536 32.500 0.028 0.000 1.318 416 K HN 0.374 nan 8.250 nan 0.000 0.448 417 D N 1.303 121.708 120.400 0.008 0.000 2.384 417 D HA 0.064 4.703 4.640 -0.000 0.000 0.244 417 D C 0.896 177.198 176.300 0.002 0.000 1.251 417 D CA 0.068 54.068 54.000 0.001 0.000 0.961 417 D CB 0.962 41.756 40.800 -0.010 0.000 1.116 417 D HN 0.236 nan 8.370 nan 0.000 0.484 418 K N -0.226 120.174 120.400 -0.000 0.000 2.074 418 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 418 K C 0.975 177.576 176.600 0.002 0.000 1.048 418 K CA 1.464 57.751 56.287 0.001 0.000 0.926 418 K CB 0.080 32.580 32.500 -0.001 0.000 0.713 418 K HN 0.331 nan 8.250 nan 0.000 0.444 419 K N -1.091 119.309 120.400 0.001 0.000 2.520 419 K HA 0.126 4.446 4.320 -0.000 0.000 0.206 419 K C -0.337 176.265 176.600 0.004 0.000 1.122 419 K CA -0.136 56.152 56.287 0.002 0.000 1.045 419 K CB 1.076 33.576 32.500 -0.000 0.000 0.932 419 K HN 0.229 nan 8.250 nan 0.000 0.571 420 c N -1.250 117.352 118.600 0.004 0.000 3.318 420 c HA 0.558 5.128 4.570 -0.000 0.000 0.322 420 c C -1.688 172.405 174.090 0.005 0.000 1.398 420 c CA -1.289 55.044 56.329 0.006 0.000 1.339 420 c CB 1.455 43.967 42.510 0.004 0.000 1.668 420 c HN 0.027 nan 8.230 nan 0.000 0.462 421 D N 0.823 121.228 120.400 0.009 0.000 2.168 421 D HA 0.569 5.209 4.640 -0.000 0.000 0.246 421 D C -0.603 175.684 176.300 -0.022 0.000 1.050 421 D CA -0.179 53.826 54.000 0.008 0.000 0.857 421 D CB 2.024 42.842 40.800 0.029 0.000 1.169 421 D HN 0.526 nan 8.370 nan 0.000 0.453 422 V N 4.378 124.260 119.914 -0.054 0.000 2.328 422 V HA 0.282 4.402 4.120 -0.000 0.000 0.278 422 V C -2.083 173.881 176.094 -0.216 0.000 1.021 422 V CA -1.569 60.650 62.300 -0.136 0.000 0.838 422 V CB 1.252 32.982 31.823 -0.154 0.000 0.999 422 V HN 0.394 nan 8.190 nan 0.000 0.447 423 P HA 0.268 nan 4.420 nan 0.000 0.271 423 P C -0.719 176.261 177.300 -0.533 0.000 1.216 423 P CA -0.071 62.867 63.100 -0.270 0.000 0.771 423 P CB 0.958 32.597 31.700 -0.102 0.000 0.864 424 c N 3.678 121.951 118.600 -0.545 0.000 2.994 424 c HA 0.587 5.157 4.570 -0.000 0.000 0.305 424 c C -0.290 173.619 174.090 -0.303 0.000 1.251 424 c CA -0.549 55.396 56.329 -0.640 0.000 1.478 424 c CB 1.737 43.483 42.510 -1.274 0.000 1.922 424 c HN 0.445 nan 8.230 nan 0.000 0.472 425 I N 2.244 122.827 120.570 0.022 0.000 2.436 425 I HA 0.543 4.713 4.170 -0.000 0.000 0.289 425 I C 0.542 176.673 176.117 0.022 0.000 1.010 425 I CA 0.308 61.637 61.300 0.048 0.000 1.098 425 I CB 1.219 39.273 38.000 0.089 0.000 1.266 425 I HN 0.901 nan 8.210 nan 0.000 0.434 426 G N 6.332 114.915 108.800 -0.361 0.000 2.410 426 G HA2 0.809 4.769 3.960 -0.000 0.000 0.330 426 G HA3 0.809 4.769 3.960 -0.000 0.000 0.330 426 G C -0.865 173.691 174.900 -0.574 0.000 1.142 426 G CA -0.446 44.297 45.100 -0.596 0.000 0.902 426 G HN 0.478 nan 8.290 nan 0.000 0.491 427 I N 0.436 120.964 120.570 -0.069 0.000 2.500 427 I HA 0.219 4.389 4.170 -0.000 0.000 0.286 427 I C -0.085 176.181 176.117 0.250 0.000 1.063 427 I CA -0.594 60.777 61.300 0.117 0.000 1.062 427 I CB 2.411 40.489 38.000 0.131 0.000 1.223 427 I HN 0.530 nan 8.210 nan 0.000 0.435 428 E N 7.533 127.947 120.200 0.356 0.000 2.324 428 E HA 0.290 4.640 4.350 -0.000 0.000 0.271 428 E C -0.993 175.714 176.600 0.178 0.000 1.028 428 E CA -0.126 56.454 56.400 0.300 0.000 0.890 428 E CB 0.719 30.635 29.700 0.359 0.000 1.004 428 E HN 0.534 nan 8.360 nan 0.000 0.431 429 M N 5.178 124.791 119.600 0.023 0.000 2.016 429 M HA 0.219 4.699 4.480 -0.000 0.000 0.315 429 M C -1.008 175.030 176.300 -0.437 0.000 0.930 429 M CA -0.754 54.487 55.300 -0.099 0.000 0.899 429 M CB 1.641 34.215 32.600 -0.044 0.000 1.401 429 M HN 0.198 nan 8.290 nan 0.000 0.386 430 V N 3.095 122.593 119.914 -0.694 0.000 2.555 430 V HA 0.057 4.176 4.120 -0.000 0.000 0.286 430 V C 0.489 176.021 176.094 -0.937 0.000 1.044 430 V CA -0.237 61.425 62.300 -1.063 0.000 1.026 430 V CB 0.276 30.914 31.823 -1.976 0.000 0.981 430 V HN 0.594 nan 8.190 nan 0.000 0.480 431 H N 3.248 121.981 119.070 -0.561 0.000 2.969 431 H HA 0.265 4.821 4.556 -0.000 0.000 0.269 431 H C -0.580 174.325 175.328 -0.706 0.000 1.223 431 H CA -0.492 55.238 56.048 -0.530 0.000 1.400 431 H CB 0.610 30.063 29.762 -0.515 0.000 1.500 431 H HN 0.601 nan 8.280 nan 0.000 0.486 432 D N 2.056 122.199 120.400 -0.428 0.000 2.349 432 D HA 0.270 4.910 4.640 -0.000 0.000 0.232 432 D C 0.741 176.949 176.300 -0.155 0.000 1.071 432 D CA -0.632 53.221 54.000 -0.246 0.000 0.832 432 D CB 1.074 41.877 40.800 0.005 0.000 1.086 432 D HN 0.711 nan 8.370 nan 0.000 0.504 433 G N 2.119 110.812 108.800 -0.179 0.000 4.238 433 G HA2 0.543 4.503 3.960 -0.000 0.000 0.292 433 G HA3 0.543 4.503 3.960 -0.000 0.000 0.292 433 G C 0.598 175.437 174.900 -0.103 0.000 1.036 433 G CA 0.095 45.094 45.100 -0.167 0.000 0.812 433 G HN 0.895 nan 8.290 nan 0.000 0.489 434 G N 1.098 109.875 108.800 -0.038 0.000 2.760 434 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.246 434 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.246 434 G C 0.753 175.614 174.900 -0.064 0.000 1.359 434 G CA 0.047 45.126 45.100 -0.036 0.000 0.861 434 G HN 0.896 nan 8.290 nan 0.000 0.541 435 K N -0.486 119.879 120.400 -0.059 0.000 2.525 435 K HA 0.201 4.520 4.320 -0.000 0.000 0.192 435 K C 1.155 177.742 176.600 -0.021 0.000 1.029 435 K CA 1.505 57.757 56.287 -0.059 0.000 1.029 435 K CB 0.288 32.757 32.500 -0.052 0.000 0.814 435 K HN 0.334 nan 8.250 nan 0.000 0.503 436 E N 0.937 121.126 120.200 -0.018 0.000 2.489 436 E HA 0.041 4.390 4.350 -0.000 0.000 0.193 436 E C 0.208 176.830 176.600 0.038 0.000 1.057 436 E CA 0.361 56.768 56.400 0.012 0.000 0.866 436 E CB 0.749 30.453 29.700 0.006 0.000 0.916 436 E HN 0.316 nan 8.360 nan 0.000 0.500 437 T N -0.751 113.793 114.554 -0.016 0.000 2.654 437 T HA 0.348 4.698 4.350 -0.000 0.000 0.289 437 T C -1.161 173.437 174.700 -0.170 0.000 1.062 437 T CA -0.974 61.095 62.100 -0.051 0.000 1.041 437 T CB 0.604 69.365 68.868 -0.178 0.000 1.417 437 T HN 0.159 nan 8.240 nan 0.000 0.510 438 W N 1.636 122.646 121.300 -0.483 0.000 2.126 438 W HA 0.442 5.102 4.660 -0.000 0.000 0.346 438 W C -0.485 175.890 176.519 -0.239 0.000 1.279 438 W CA -0.408 56.597 57.345 -0.566 0.000 1.259 438 W CB -0.315 28.503 29.460 -1.070 0.000 1.133 438 W HN 0.614 nan 8.180 nan 0.000 0.592 439 H N 1.442 120.477 119.070 -0.059 0.000 3.078 439 H HA 0.339 4.895 4.556 -0.000 0.000 0.319 439 H C -1.205 174.144 175.328 0.035 0.000 0.995 439 H CA 0.038 56.000 56.048 -0.143 0.000 1.417 439 H CB 1.922 31.593 29.762 -0.151 0.000 1.598 439 H HN 0.514 nan 8.280 nan 0.000 0.515 440 S N 2.556 118.180 115.700 -0.125 0.000 2.973 440 S HA 0.899 5.369 4.470 -0.000 0.000 0.317 440 S C -1.598 172.985 174.600 -0.030 0.000 1.196 440 S CA 0.065 58.303 58.200 0.062 0.000 0.894 440 S CB 1.756 65.087 63.200 0.217 0.000 1.292 440 S HN 0.805 nan 8.310 nan 0.000 0.614 441 A N 0.118 123.047 122.820 0.182 0.000 2.589 441 A HA 0.841 5.161 4.320 -0.000 0.000 0.296 441 A C -0.489 177.219 177.584 0.207 0.000 1.062 441 A CA -0.041 51.982 52.037 -0.024 0.000 0.686 441 A CB 0.866 19.802 19.000 -0.108 0.000 1.282 441 A HN 1.297 nan 8.150 nan 0.000 0.404 442 A N 0.428 123.297 122.820 0.082 0.000 2.246 442 A HA 0.854 5.174 4.320 -0.000 0.000 0.291 442 A C 0.180 177.856 177.584 0.154 0.000 1.103 442 A CA -0.115 52.029 52.037 0.179 0.000 0.844 442 A CB 0.392 19.483 19.000 0.152 0.000 1.136 442 A HN 1.134 nan 8.150 nan 0.000 0.500 443 T N 0.637 115.295 114.554 0.175 0.000 2.949 443 T HA 0.597 4.946 4.350 -0.000 0.000 0.300 443 T C -0.466 174.308 174.700 0.123 0.000 0.988 443 T CA 0.189 62.402 62.100 0.188 0.000 0.993 443 T CB 1.233 70.232 68.868 0.219 0.000 0.984 443 T HN 1.117 nan 8.240 nan 0.000 0.442 444 A N 3.513 126.420 122.820 0.146 0.000 2.305 444 A HA 0.875 5.194 4.320 -0.000 0.000 0.322 444 A C -0.617 177.070 177.584 0.172 0.000 1.187 444 A CA -0.599 51.524 52.037 0.143 0.000 0.825 444 A CB 0.261 19.383 19.000 0.203 0.000 1.164 444 A HN 0.769 nan 8.150 nan 0.000 0.498 445 I N 1.672 122.304 120.570 0.104 0.000 2.436 445 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 445 I C -1.178 174.935 176.117 -0.008 0.000 1.010 445 I CA 0.029 61.412 61.300 0.138 0.000 1.098 445 I CB 1.470 39.563 38.000 0.155 0.000 1.266 445 I HN 0.605 nan 8.210 nan 0.000 0.434 446 Y N 4.433 124.764 120.300 0.052 0.000 2.364 446 Y HA 0.648 5.198 4.550 -0.000 0.000 0.340 446 Y C -0.208 175.609 175.900 -0.139 0.000 0.975 446 Y CA -0.441 57.680 58.100 0.036 0.000 1.089 446 Y CB 1.824 40.378 38.460 0.157 0.000 1.192 446 Y HN 0.490 nan 8.280 nan 0.000 0.454 447 c N 3.190 121.629 118.600 -0.268 0.000 2.802 447 c HA 0.423 4.993 4.570 -0.000 0.000 0.307 447 c C -0.401 173.040 174.090 -1.082 0.000 1.222 447 c CA -1.274 54.603 56.329 -0.754 0.000 1.580 447 c CB 1.615 43.838 42.510 -0.479 0.000 2.119 447 c HN 0.774 nan 8.230 nan 0.000 0.479 448 L N 4.067 124.322 121.223 -1.613 0.000 2.562 448 L HA 0.378 4.718 4.340 -0.000 0.000 0.271 448 L C -0.020 176.575 176.870 -0.457 0.000 1.167 448 L CA 1.251 55.467 54.840 -1.041 0.000 0.917 448 L CB -0.188 41.400 42.059 -0.784 0.000 1.187 448 L HN 0.786 nan 8.230 nan 0.000 0.482 449 M N 4.817 124.260 119.600 -0.261 0.000 2.234 449 M HA 0.692 5.172 4.480 -0.000 0.000 0.267 449 M C 0.113 176.381 176.300 -0.053 0.000 1.022 449 M CA -0.103 55.115 55.300 -0.137 0.000 0.993 449 M CB 1.292 33.810 32.600 -0.136 0.000 1.836 449 M HN 0.764 nan 8.290 nan 0.000 0.479 450 G N 2.872 111.655 108.800 -0.028 0.000 2.645 450 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.239 450 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.239 450 G C -0.533 174.387 174.900 0.035 0.000 1.331 450 G CA -0.045 45.056 45.100 0.002 0.000 0.890 450 G HN 1.684 nan 8.290 nan 0.000 0.572 451 S N -0.917 114.808 115.700 0.041 0.000 2.726 451 S HA 1.049 5.519 4.470 -0.000 0.000 0.308 451 S C 0.801 175.441 174.600 0.067 0.000 1.115 451 S CA 0.690 58.928 58.200 0.064 0.000 0.965 451 S CB 1.775 65.004 63.200 0.048 0.000 1.145 451 S HN 3.028 nan 8.310 nan 0.000 0.532 452 G N 0.281 109.130 108.800 0.081 0.000 2.384 452 G HA2 0.148 4.108 3.960 -0.000 0.000 0.200 452 G HA3 0.148 4.108 3.960 -0.000 0.000 0.200 452 G C -1.656 173.304 174.900 0.100 0.000 1.205 452 G CA -0.206 44.937 45.100 0.073 0.000 1.116 452 G HN 1.185 nan 8.290 nan 0.000 0.547 453 Q N -0.128 119.726 119.800 0.089 0.000 2.345 453 Q HA 0.686 5.026 4.340 -0.000 0.000 0.268 453 Q C -0.019 176.051 176.000 0.117 0.000 1.054 453 Q CA -1.054 54.813 55.803 0.107 0.000 0.835 453 Q CB 2.522 31.308 28.738 0.081 0.000 1.339 453 Q HN 1.257 nan 8.270 nan 0.000 0.447 454 L N 2.287 123.596 121.223 0.144 0.000 2.601 454 L HA -0.141 4.199 4.340 -0.000 0.000 0.277 454 L C 0.042 177.007 176.870 0.159 0.000 1.219 454 L CA -0.021 54.921 54.840 0.170 0.000 0.915 454 L CB 0.299 42.463 42.059 0.174 0.000 1.160 454 L HN 0.620 nan 8.230 nan 0.000 0.494 455 L N 5.200 126.532 121.223 0.182 0.000 2.362 455 L HA 0.218 4.558 4.340 -0.000 0.000 0.204 455 L C -0.021 177.036 176.870 0.313 0.000 1.060 455 L CA 0.839 55.776 54.840 0.162 0.000 0.827 455 L CB -0.410 41.678 42.059 0.048 0.000 1.027 455 L HN 0.616 nan 8.230 nan 0.000 0.474 456 W N 1.177 122.554 121.300 0.130 0.000 2.950 456 W HA 0.316 4.976 4.660 -0.000 0.000 0.340 456 W C -0.213 176.428 176.519 0.203 0.000 1.139 456 W CA -1.678 55.742 57.345 0.125 0.000 1.188 456 W CB 1.121 30.630 29.460 0.081 0.000 1.426 456 W HN 0.061 nan 8.180 nan 0.000 0.531 457 D N 0.504 120.999 120.400 0.157 0.000 2.466 457 D HA 0.494 5.134 4.640 -0.000 0.000 0.262 457 D C -0.812 175.489 176.300 0.001 0.000 1.177 457 D CA -0.212 53.843 54.000 0.091 0.000 1.035 457 D CB 1.364 42.160 40.800 -0.006 0.000 1.105 457 D HN 0.100 nan 8.370 nan 0.000 0.551 458 T N -0.180 114.409 114.554 0.059 0.000 2.848 458 T HA 0.468 4.818 4.350 -0.000 0.000 0.285 458 T C -0.095 174.596 174.700 -0.016 0.000 0.995 458 T CA -0.789 61.327 62.100 0.026 0.000 0.970 458 T CB 1.460 70.420 68.868 0.154 0.000 0.976 458 T HN 0.476 nan 8.240 nan 0.000 0.441 459 V N 0.670 120.548 119.914 -0.060 0.000 2.769 459 V HA 0.719 4.839 4.120 -0.000 0.000 0.312 459 V C 1.241 177.333 176.094 -0.004 0.000 1.058 459 V CA -0.429 61.849 62.300 -0.037 0.000 0.952 459 V CB 1.342 33.124 31.823 -0.069 0.000 1.019 459 V HN 0.950 nan 8.190 nan 0.000 0.445 460 T N -1.286 113.284 114.554 0.027 0.000 3.014 460 T HA 0.255 4.605 4.350 -0.000 0.000 0.263 460 T C 1.664 176.394 174.700 0.050 0.000 1.078 460 T CA 1.456 63.600 62.100 0.073 0.000 1.135 460 T CB -0.248 68.726 68.868 0.177 0.000 0.895 460 T HN 2.507 nan 8.240 nan 0.000 0.480 461 G N 0.603 109.417 108.800 0.022 0.000 2.179 461 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 461 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 461 G C 0.106 175.006 174.900 0.000 0.000 0.977 461 G CA 0.105 45.200 45.100 -0.007 0.000 0.641 461 G HN 0.771 nan 8.290 nan 0.000 0.533 462 V N 1.599 121.541 119.914 0.047 0.000 2.461 462 V HA 0.499 4.619 4.120 -0.000 0.000 0.275 462 V C 0.047 176.164 176.094 0.039 0.000 1.047 462 V CA -0.354 61.966 62.300 0.032 0.000 0.955 462 V CB 1.760 33.589 31.823 0.010 0.000 0.988 462 V HN 0.359 nan 8.190 nan 0.000 0.471 463 D N 4.670 125.086 120.400 0.025 0.000 2.329 463 D HA 0.319 4.959 4.640 -0.000 0.000 0.232 463 D C 0.700 177.033 176.300 0.055 0.000 1.088 463 D CA -0.414 53.602 54.000 0.028 0.000 0.835 463 D CB 1.625 42.438 40.800 0.021 0.000 1.078 463 D HN 0.467 nan 8.370 nan 0.000 0.495 464 M N 2.593 122.203 119.600 0.017 0.000 2.619 464 M HA 0.011 4.491 4.480 -0.000 0.000 0.251 464 M C 1.649 177.994 176.300 0.074 0.000 1.106 464 M CA 0.331 55.635 55.300 0.007 0.000 1.086 464 M CB 0.213 32.651 32.600 -0.271 0.000 1.465 464 M HN 0.475 nan 8.290 nan 0.000 0.506 465 A N 0.414 123.267 122.820 0.054 0.000 2.119 465 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 465 A C 1.209 178.851 177.584 0.096 0.000 1.152 465 A CA 0.377 52.451 52.037 0.062 0.000 0.708 465 A CB -0.118 18.902 19.000 0.033 0.000 0.805 465 A HN 0.339 nan 8.150 nan 0.000 0.460 466 L N 0.000 121.286 121.223 0.105 0.000 2.949 466 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 466 L CA 0.000 54.889 54.840 0.082 0.000 0.813 466 L CB 0.000 42.091 42.059 0.053 0.000 0.961 466 L HN 0.000 nan 8.230 nan 0.000 0.502