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 2vs4_1_B DATA FIRST_RESID 81 DATA SEQUENCE SKLKLSDWFN PFKRPEVVTM TKWKAPVVWE GTYNRAVLDN YYAKQKITVG DATA SEQUENCE LTVFAVGRYI EHYLEEFLTS ANKHFMVGHP VIFYIMVDDV SRMPLIELGP DATA SEQUENCE LRSFKVFKIK PEKRWQDISM MRMKTIGEHI VAHIQHEVDF LFCMDVDQVF DATA SEQUENCE QDKFGVETLG ESVAQLQAWW YKADPNDFTY ERRKESAAYI PFGEGDFYYH DATA SEQUENCE AAIFGGTPTQ VLNITQECFK GILKDKKNDI EAQWHEESHL NKYFLLNKPT DATA SEQUENCE KILSPEYCWD YHIGLPADIK LVKMSWQTKE YNVVRNNV 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 81 S HA 0.000 nan 4.470 nan 0.000 0.327 81 S C 0.000 174.667 174.600 0.111 0.000 1.055 81 S CA 0.000 58.247 58.200 0.078 0.000 1.107 81 S CB 0.000 63.236 63.200 0.060 0.000 0.593 82 K N 0.500 120.960 120.400 0.101 0.000 2.187 82 K HA 0.353 5.421 4.320 1.246 0.000 0.247 82 K C -0.352 176.268 176.600 0.034 0.000 1.019 82 K CA -0.415 55.943 56.287 0.117 0.000 0.893 82 K CB 0.120 32.678 32.500 0.097 0.000 1.025 82 K HN 0.370 nan 8.250 nan 0.000 0.500 83 L N 1.469 122.644 121.223 -0.079 0.000 2.380 83 L HA 0.106 5.194 4.340 1.246 0.000 0.273 83 L C -0.746 176.100 176.870 -0.040 0.000 1.138 83 L CA 0.661 55.331 54.840 -0.284 0.000 0.832 83 L CB 0.285 41.933 42.059 -0.686 0.000 1.124 83 L HN 0.405 nan 8.230 nan 0.000 0.454 84 K N 4.195 124.608 120.400 0.022 0.000 2.259 84 K HA 0.251 5.319 4.320 1.246 0.000 0.252 84 K C 0.505 177.190 176.600 0.141 0.000 0.936 84 K CA -0.828 55.506 56.287 0.079 0.000 0.810 84 K CB 1.912 34.441 32.500 0.049 0.000 1.143 84 K HN 0.522 nan 8.250 nan 0.000 0.427 85 L N 2.391 123.683 121.223 0.115 0.000 2.043 85 L HA -0.247 4.841 4.340 1.246 0.000 0.212 85 L C 1.917 178.646 176.870 -0.234 0.000 1.075 85 L CA 2.279 57.119 54.840 0.000 0.000 0.752 85 L CB -0.544 41.511 42.059 -0.007 0.000 0.891 85 L HN 0.838 nan 8.230 nan 0.000 0.432 86 S N -2.262 113.389 115.700 -0.082 0.000 2.481 86 S HA -0.113 5.105 4.470 1.246 0.000 0.231 86 S C 1.610 176.173 174.600 -0.062 0.000 0.996 86 S CA 0.714 58.865 58.200 -0.082 0.000 0.942 86 S CB -0.660 62.532 63.200 -0.012 0.000 0.768 86 S HN 0.484 nan 8.310 nan 0.000 0.520 87 D N 1.477 121.881 120.400 0.006 0.000 2.144 87 D HA -0.074 5.314 4.640 1.246 0.000 0.199 87 D C 1.612 178.012 176.300 0.166 0.000 0.984 87 D CA 1.434 55.488 54.000 0.091 0.000 0.834 87 D CB -0.165 40.714 40.800 0.131 0.000 0.955 87 D HN 0.876 nan 8.370 nan 0.000 0.465 88 W N -1.579 119.768 121.300 0.078 0.000 2.592 88 W HA 0.297 5.695 4.660 1.230 0.000 0.306 88 W C -0.437 176.218 176.519 0.227 0.000 0.991 88 W CA -0.536 56.886 57.345 0.130 0.000 1.430 88 W CB -0.271 29.262 29.460 0.121 0.000 1.017 88 W HN -0.249 nan 8.180 nan 0.000 0.557 89 F N 4.291 123.641 119.950 -1.001 0.000 2.426 89 F HA 0.495 5.764 4.527 1.237 0.000 0.348 89 F C -0.687 174.861 175.800 -0.419 0.000 1.124 89 F CA -1.312 56.141 58.000 -0.911 0.000 1.008 89 F CB 0.999 39.098 39.000 -1.502 0.000 1.139 89 F HN -0.250 nan 8.300 nan 0.000 0.452 90 N N 8.301 126.498 118.700 -0.838 0.000 2.623 90 N HA 0.329 5.817 4.740 1.246 0.000 0.256 90 N C -2.136 172.850 175.510 -0.872 0.000 1.045 90 N CA -2.404 50.285 53.050 -0.602 0.000 0.863 90 N CB 1.849 40.187 38.487 -0.249 0.000 1.182 90 N HN 0.272 nan 8.380 nan 0.000 0.523 91 P HA -0.093 nan 4.420 nan 0.000 0.218 91 P C 1.020 177.907 177.300 -0.689 0.000 1.149 91 P CA 1.010 63.542 63.100 -0.946 0.000 0.817 91 P CB -0.016 31.184 31.700 -0.834 0.000 0.785 92 F N 0.552 120.348 119.950 -0.258 0.000 2.494 92 F HA -0.034 5.244 4.527 1.252 0.000 0.298 92 F C 2.163 177.858 175.800 -0.175 0.000 1.106 92 F CA 0.692 58.585 58.000 -0.180 0.000 1.452 92 F CB -0.796 38.118 39.000 -0.144 0.000 1.085 92 F HN -0.163 nan 8.300 nan 0.000 0.569 93 K N 0.238 120.575 120.400 -0.106 0.000 2.365 93 K HA 0.050 5.118 4.320 1.246 0.000 0.199 93 K C 0.444 176.965 176.600 -0.132 0.000 1.045 93 K CA 0.606 56.829 56.287 -0.107 0.000 0.962 93 K CB 0.051 32.467 32.500 -0.141 0.000 0.759 93 K HN 0.115 nan 8.250 nan 0.000 0.469 94 R N 0.739 121.128 120.500 -0.185 0.000 2.644 94 R HA 0.157 5.245 4.340 1.246 0.000 0.271 94 R C -2.135 174.014 176.300 -0.252 0.000 1.687 94 R CA -1.472 54.488 56.100 -0.232 0.000 1.655 94 R CB 0.787 30.912 30.300 -0.291 0.000 1.285 94 R HN -0.036 nan 8.270 nan 0.000 0.643 95 P HA -0.118 nan 4.420 nan 0.000 0.229 95 P C 0.763 177.977 177.300 -0.142 0.000 1.160 95 P CA 0.891 63.916 63.100 -0.126 0.000 0.777 95 P CB 0.504 32.175 31.700 -0.048 0.000 0.814 96 E N 0.970 121.059 120.200 -0.186 0.000 2.489 96 E HA 0.032 5.130 4.350 1.246 0.000 0.193 96 E C 0.707 177.169 176.600 -0.230 0.000 1.057 96 E CA 0.230 56.525 56.400 -0.175 0.000 0.866 96 E CB -0.465 29.140 29.700 -0.159 0.000 0.916 96 E HN 0.171 nan 8.360 nan 0.000 0.500 97 V N -2.515 117.179 119.914 -0.366 0.000 3.158 97 V HA 0.534 5.401 4.120 1.246 0.000 0.311 97 V C 0.099 176.061 176.094 -0.220 0.000 1.181 97 V CA -1.297 60.745 62.300 -0.429 0.000 1.054 97 V CB 1.703 32.747 31.823 -1.299 0.000 1.085 97 V HN -0.165 nan 8.190 nan 0.000 0.446 98 V N 2.031 121.975 119.914 0.050 0.000 2.439 98 V HA 0.302 5.170 4.120 1.246 0.000 0.271 98 V C 1.460 177.712 176.094 0.264 0.000 1.040 98 V CA 0.899 63.314 62.300 0.192 0.000 1.002 98 V CB 0.400 32.437 31.823 0.357 0.000 1.000 98 V HN 1.204 nan 8.190 nan 0.000 0.477 99 T N 1.379 116.017 114.554 0.140 0.000 3.010 99 T HA 0.397 5.495 4.350 1.246 0.000 0.257 99 T C 0.319 175.139 174.700 0.201 0.000 1.020 99 T CA -0.139 62.108 62.100 0.245 0.000 0.938 99 T CB 0.370 69.299 68.868 0.103 0.000 1.049 99 T HN 0.315 nan 8.240 nan 0.000 0.522 100 M N 2.599 122.243 119.600 0.073 0.000 2.433 100 M HA 0.435 5.663 4.480 1.246 0.000 0.290 100 M C -0.534 175.712 176.300 -0.089 0.000 1.173 100 M CA -0.499 54.784 55.300 -0.028 0.000 0.905 100 M CB 2.139 34.725 32.600 -0.024 0.000 1.692 100 M HN 0.304 nan 8.290 nan 0.000 0.462 101 T N -1.671 112.706 114.554 -0.296 0.000 2.912 101 T HA 0.471 5.569 4.350 1.246 0.000 0.280 101 T C 0.986 175.460 174.700 -0.377 0.000 0.989 101 T CA -0.762 61.040 62.100 -0.497 0.000 0.995 101 T CB 1.341 69.316 68.868 -1.489 0.000 1.077 101 T HN 0.821 nan 8.240 nan 0.000 0.531 102 K N -0.398 119.880 120.400 -0.204 0.000 2.442 102 K HA -0.046 5.021 4.320 1.246 0.000 0.198 102 K C 0.889 177.586 176.600 0.160 0.000 1.042 102 K CA 0.754 57.068 56.287 0.045 0.000 0.958 102 K CB -0.398 32.203 32.500 0.168 0.000 0.766 102 K HN 0.880 nan 8.250 nan 0.000 0.474 103 W N 1.416 122.781 121.300 0.108 0.000 3.194 103 W HA 0.422 5.826 4.660 1.240 0.000 0.408 103 W C -0.718 175.847 176.519 0.076 0.000 1.072 103 W CA -1.000 56.397 57.345 0.087 0.000 1.953 103 W CB 0.185 29.699 29.460 0.091 0.000 1.091 103 W HN -0.061 nan 8.180 nan 0.000 0.699 104 K N -0.680 119.682 120.400 -0.062 0.000 3.341 104 K HA -0.217 4.851 4.320 1.246 0.000 0.305 104 K C 0.497 177.029 176.600 -0.114 0.000 1.270 104 K CA 0.848 57.099 56.287 -0.060 0.000 0.897 104 K CB -2.053 30.475 32.500 0.047 0.000 1.264 104 K HN 0.412 nan 8.250 nan 0.000 0.468 105 A N 1.678 124.315 122.820 -0.305 0.000 2.316 105 A HA 0.532 5.600 4.320 1.246 0.000 0.284 105 A C -2.062 175.357 177.584 -0.274 0.000 1.115 105 A CA -1.275 50.642 52.037 -0.199 0.000 0.812 105 A CB 0.413 19.365 19.000 -0.079 0.000 1.064 105 A HN -0.006 nan 8.150 nan 0.000 0.489 106 P HA 0.351 nan 4.420 nan 0.000 0.282 106 P C -0.918 176.178 177.300 -0.339 0.000 1.249 106 P CA -0.260 62.521 63.100 -0.531 0.000 0.806 106 P CB 1.431 32.395 31.700 -1.226 0.000 0.984 107 V N 3.535 123.354 119.914 -0.159 0.000 2.313 107 V HA 0.114 4.982 4.120 1.246 0.000 0.278 107 V C 0.444 176.635 176.094 0.162 0.000 1.017 107 V CA -0.776 61.504 62.300 -0.033 0.000 0.823 107 V CB 1.517 33.398 31.823 0.096 0.000 1.010 107 V HN 0.263 nan 8.190 nan 0.000 0.443 108 V N 5.070 124.995 119.914 0.018 0.000 2.415 108 V HA 0.230 5.098 4.120 1.246 0.000 0.267 108 V C -0.408 175.830 176.094 0.241 0.000 1.042 108 V CA -0.175 62.270 62.300 0.243 0.000 1.000 108 V CB -0.114 31.756 31.823 0.078 0.000 1.015 108 V HN 0.833 nan 8.190 nan 0.000 0.478 109 W N 2.097 123.603 121.300 0.343 0.000 2.689 109 W HA 0.553 6.037 4.660 1.374 0.000 0.340 109 W C 0.250 176.925 176.519 0.260 0.000 1.060 109 W CA -1.007 56.480 57.345 0.236 0.000 1.218 109 W CB 1.082 30.600 29.460 0.097 0.000 1.410 109 W HN 0.491 nan 8.180 nan 0.000 0.528 110 E N 1.001 121.458 120.200 0.429 0.000 2.652 110 E HA 0.286 5.384 4.350 1.246 0.000 0.255 110 E C 1.104 177.743 176.600 0.066 0.000 0.952 110 E CA 2.177 58.721 56.400 0.240 0.000 0.947 110 E CB 0.194 29.957 29.700 0.104 0.000 0.912 110 E HN 0.682 nan 8.360 nan 0.000 0.489 111 G N 2.859 111.556 108.800 -0.171 0.000 2.254 111 G HA2 -0.334 4.374 3.960 1.246 0.000 0.225 111 G HA3 -0.334 4.374 3.960 1.246 0.000 0.225 111 G C 1.035 175.819 174.900 -0.193 0.000 1.003 111 G CA 0.786 45.773 45.100 -0.189 0.000 0.622 111 G HN 0.876 nan 8.290 nan 0.000 0.507 112 T N -1.279 113.222 114.554 -0.089 0.000 3.067 112 T HA 0.425 5.523 4.350 1.246 0.000 0.257 112 T C 0.972 175.666 174.700 -0.008 0.000 1.105 112 T CA 1.156 63.169 62.100 -0.146 0.000 1.104 112 T CB -0.151 68.634 68.868 -0.139 0.000 0.925 112 T HN 1.320 nan 8.240 nan 0.000 0.498 113 Y N 0.265 120.695 120.300 0.216 0.000 2.420 113 Y HA 0.720 6.022 4.550 1.253 0.000 0.334 113 Y C -0.298 175.768 175.900 0.276 0.000 1.094 113 Y CA -2.380 55.950 58.100 0.384 0.000 1.126 113 Y CB 0.791 39.579 38.460 0.547 0.000 1.217 113 Y HN -0.152 nan 8.280 nan 0.000 0.462 114 N N 3.552 122.556 118.700 0.506 0.000 2.817 114 N HA 0.149 5.637 4.740 1.246 0.000 0.234 114 N C 0.645 176.408 175.510 0.421 0.000 1.066 114 N CA -0.262 52.990 53.050 0.336 0.000 0.926 114 N CB 0.498 39.142 38.487 0.261 0.000 1.176 114 N HN 0.994 nan 8.380 nan 0.000 0.506 115 R N 2.376 123.156 120.500 0.466 0.000 2.148 115 R HA -0.053 5.035 4.340 1.246 0.000 0.227 115 R C 1.574 178.022 176.300 0.247 0.000 1.103 115 R CA 1.516 57.832 56.100 0.360 0.000 0.983 115 R CB 0.127 30.651 30.300 0.372 0.000 0.874 115 R HN 0.519 nan 8.270 nan 0.000 0.451 116 A N 0.233 123.180 122.820 0.211 0.000 1.877 116 A HA -0.112 4.956 4.320 1.246 0.000 0.216 116 A C 2.205 179.890 177.584 0.168 0.000 1.186 116 A CA 1.566 53.702 52.037 0.164 0.000 0.620 116 A CB -0.558 18.517 19.000 0.126 0.000 0.822 116 A HN 0.212 nan 8.150 nan 0.000 0.443 117 V N 0.072 120.094 119.914 0.180 0.000 2.343 117 V HA -0.244 4.624 4.120 1.246 0.000 0.247 117 V C 2.548 178.750 176.094 0.180 0.000 1.051 117 V CA 1.941 64.343 62.300 0.170 0.000 1.036 117 V CB -0.686 31.246 31.823 0.181 0.000 0.654 117 V HN 0.559 nan 8.190 nan 0.000 0.451 118 L N -0.594 120.748 121.223 0.199 0.000 2.109 118 L HA -0.122 4.965 4.340 1.246 0.000 0.207 118 L C 2.345 179.415 176.870 0.334 0.000 1.086 118 L CA 1.300 56.264 54.840 0.206 0.000 0.760 118 L CB -0.686 41.461 42.059 0.146 0.000 0.910 118 L HN 0.303 nan 8.230 nan 0.000 0.437 119 D N -0.028 120.551 120.400 0.299 0.000 2.182 119 D HA -0.195 5.193 4.640 1.246 0.000 0.201 119 D C 1.852 178.347 176.300 0.325 0.000 0.986 119 D CA 1.194 55.423 54.000 0.382 0.000 0.847 119 D CB -0.112 40.854 40.800 0.277 0.000 0.942 119 D HN 0.287 nan 8.370 nan 0.000 0.467 120 N N -0.459 118.377 118.700 0.228 0.000 2.062 120 N HA -0.208 5.280 4.740 1.246 0.000 0.191 120 N C 1.861 177.473 175.510 0.170 0.000 1.042 120 N CA 0.974 54.126 53.050 0.171 0.000 0.845 120 N CB -0.414 38.157 38.487 0.139 0.000 1.024 120 N HN 0.121 nan 8.380 nan 0.000 0.424 121 Y N 0.121 120.429 120.300 0.014 0.000 2.081 121 Y HA -0.306 4.991 4.550 1.245 0.000 0.280 121 Y C 1.757 177.592 175.900 -0.108 0.000 1.163 121 Y CA 2.048 60.084 58.100 -0.106 0.000 1.135 121 Y CB -0.851 37.450 38.460 -0.266 0.000 0.970 121 Y HN 0.247 nan 8.280 nan 0.000 0.498 122 Y N -0.403 119.945 120.300 0.080 0.000 2.293 122 Y HA -0.162 5.138 4.550 1.250 0.000 0.291 122 Y C 2.633 178.562 175.900 0.048 0.000 1.137 122 Y CA 0.815 58.890 58.100 -0.040 0.000 1.202 122 Y CB -0.635 37.772 38.460 -0.089 0.000 0.990 122 Y HN 0.284 nan 8.280 nan 0.000 0.537 123 A N 0.575 123.578 122.820 0.305 0.000 1.902 123 A HA -0.211 4.857 4.320 1.246 0.000 0.217 123 A C 2.091 179.722 177.584 0.079 0.000 1.181 123 A CA 1.720 53.880 52.037 0.206 0.000 0.623 123 A CB -0.445 18.631 19.000 0.127 0.000 0.818 123 A HN 0.390 nan 8.150 nan 0.000 0.443 124 K N -0.492 119.917 120.400 0.015 0.000 2.211 124 K HA -0.111 4.957 4.320 1.246 0.000 0.203 124 K C 1.841 178.400 176.600 -0.068 0.000 1.050 124 K CA 1.283 57.550 56.287 -0.034 0.000 0.945 124 K CB -0.107 32.359 32.500 -0.056 0.000 0.732 124 K HN 0.590 nan 8.250 nan 0.000 0.451 125 Q N 0.734 120.469 119.800 -0.109 0.000 2.403 125 Q HA 0.032 5.120 4.340 1.246 0.000 0.203 125 Q C -0.654 175.351 176.000 0.009 0.000 0.932 125 Q CA 0.039 55.786 55.803 -0.094 0.000 0.945 125 Q CB 0.309 28.947 28.738 -0.167 0.000 1.045 125 Q HN 0.142 nan 8.270 nan 0.000 0.511 126 K N 1.300 121.729 120.400 0.047 0.000 3.451 126 K HA -0.200 4.868 4.320 1.246 0.000 0.273 126 K C 0.031 176.686 176.600 0.091 0.000 0.944 126 K CA 0.483 56.814 56.287 0.073 0.000 0.734 126 K CB -2.369 30.155 32.500 0.039 0.000 1.437 126 K HN 0.453 nan 8.250 nan 0.000 0.454 127 I N -2.536 118.118 120.570 0.139 0.000 2.886 127 I HA 0.373 5.290 4.170 1.246 0.000 0.299 127 I C 0.104 176.285 176.117 0.107 0.000 1.044 127 I CA -0.283 61.096 61.300 0.130 0.000 1.310 127 I CB 1.459 39.566 38.000 0.178 0.000 1.441 127 I HN 0.027 nan 8.210 nan 0.000 0.578 128 T N 3.694 118.304 114.554 0.093 0.000 2.886 128 T HA 0.547 5.645 4.350 1.246 0.000 0.292 128 T C -0.625 174.139 174.700 0.106 0.000 1.012 128 T CA -0.430 61.718 62.100 0.079 0.000 0.982 128 T CB 1.935 70.842 68.868 0.066 0.000 1.018 128 T HN 0.457 nan 8.240 nan 0.000 0.451 129 V N 2.234 122.208 119.914 0.099 0.000 2.495 129 V HA 0.800 5.667 4.120 1.246 0.000 0.298 129 V C 0.706 176.952 176.094 0.254 0.000 1.031 129 V CA -0.695 61.715 62.300 0.183 0.000 0.871 129 V CB 1.811 33.695 31.823 0.102 0.000 0.988 129 V HN 1.030 nan 8.190 nan 0.000 0.432 130 G N 2.943 111.947 108.800 0.339 0.000 2.461 130 G HA2 0.693 5.401 3.960 1.246 0.000 0.329 130 G HA3 0.693 5.401 3.960 1.246 0.000 0.329 130 G C -1.520 173.647 174.900 0.446 0.000 1.170 130 G CA -0.501 44.842 45.100 0.405 0.000 0.935 130 G HN 0.616 nan 8.290 nan 0.000 0.492 131 L N 0.953 122.410 121.223 0.389 0.000 2.528 131 L HA 0.580 5.667 4.340 1.246 0.000 0.267 131 L C 0.208 177.284 176.870 0.344 0.000 0.961 131 L CA -0.471 54.534 54.840 0.274 0.000 0.866 131 L CB 1.806 43.863 42.059 -0.003 0.000 1.248 131 L HN 0.775 nan 8.230 nan 0.000 0.404 132 T N 1.772 116.470 114.554 0.241 0.000 2.902 132 T HA 0.824 5.922 4.350 1.246 0.000 0.283 132 T C -0.640 174.104 174.700 0.073 0.000 1.009 132 T CA -0.748 61.454 62.100 0.171 0.000 1.051 132 T CB 1.808 70.730 68.868 0.089 0.000 0.999 132 T HN 0.773 nan 8.240 nan 0.000 0.474 133 V N 2.789 122.691 119.914 -0.020 0.000 2.924 133 V HA 0.654 5.522 4.120 1.246 0.000 0.300 133 V C -2.044 173.970 176.094 -0.133 0.000 1.227 133 V CA -1.049 61.194 62.300 -0.095 0.000 0.954 133 V CB 1.711 33.345 31.823 -0.315 0.000 1.055 133 V HN 0.915 nan 8.190 nan 0.000 0.429 134 F N 4.283 124.146 119.950 -0.146 0.000 2.492 134 F HA 0.915 6.188 4.527 1.242 0.000 0.327 134 F C 0.485 176.234 175.800 -0.085 0.000 1.079 134 F CA -0.184 57.762 58.000 -0.090 0.000 0.967 134 F CB 2.321 41.264 39.000 -0.094 0.000 1.169 134 F HN 0.722 nan 8.300 nan 0.000 0.472 135 A N 2.417 125.314 122.820 0.129 0.000 2.547 135 A HA 0.709 5.777 4.320 1.246 0.000 0.279 135 A C -1.893 175.761 177.584 0.117 0.000 1.088 135 A CA -0.533 51.580 52.037 0.127 0.000 0.796 135 A CB 0.656 19.732 19.000 0.126 0.000 1.308 135 A HN 0.491 nan 8.150 nan 0.000 0.415 136 V N 2.186 122.151 119.914 0.085 0.000 2.540 136 V HA 0.863 5.730 4.120 1.246 0.000 0.302 136 V C 0.976 177.144 176.094 0.123 0.000 1.035 136 V CA 0.614 62.963 62.300 0.081 0.000 0.873 136 V CB 0.948 32.796 31.823 0.042 0.000 0.992 136 V HN 2.380 nan 8.190 nan 0.000 0.428 137 G N 4.805 113.681 108.800 0.127 0.000 2.525 137 G HA2 -0.238 4.470 3.960 1.246 0.000 0.248 137 G HA3 -0.238 4.470 3.960 1.246 0.000 0.248 137 G C 0.559 175.563 174.900 0.173 0.000 1.238 137 G CA 0.412 45.600 45.100 0.146 0.000 0.926 137 G HN 0.694 nan 8.290 nan 0.000 0.574 138 R N -0.475 120.121 120.500 0.161 0.000 2.328 138 R HA 0.034 5.122 4.340 1.246 0.000 0.207 138 R C 2.127 178.469 176.300 0.069 0.000 1.056 138 R CA 1.293 57.441 56.100 0.081 0.000 1.016 138 R CB -0.242 30.037 30.300 -0.035 0.000 0.872 138 R HN 0.595 nan 8.270 nan 0.000 0.471 139 Y N 0.533 120.851 120.300 0.031 0.000 2.421 139 Y HA -0.148 5.147 4.550 1.243 0.000 0.292 139 Y C 2.138 178.107 175.900 0.115 0.000 1.136 139 Y CA 0.650 58.826 58.100 0.127 0.000 1.255 139 Y CB -0.080 38.506 38.460 0.209 0.000 0.991 139 Y HN 0.025 nan 8.280 nan 0.000 0.552 140 I N -0.154 120.550 120.570 0.223 0.000 2.113 140 I HA -0.279 4.639 4.170 1.246 0.000 0.238 140 I C 1.983 178.151 176.117 0.085 0.000 1.070 140 I CA 1.494 62.877 61.300 0.139 0.000 1.332 140 I CB -0.323 37.737 38.000 0.100 0.000 1.044 140 I HN 0.132 nan 8.210 nan 0.000 0.402 141 E N -0.080 120.155 120.200 0.059 0.000 2.106 141 E HA -0.181 4.917 4.350 1.246 0.000 0.192 141 E C 2.170 178.732 176.600 -0.064 0.000 0.984 141 E CA 1.036 57.441 56.400 0.008 0.000 0.806 141 E CB -0.322 29.387 29.700 0.015 0.000 0.750 141 E HN 0.476 nan 8.360 nan 0.000 0.458 142 H N -1.788 117.115 119.070 -0.278 0.000 2.357 142 H HA -0.060 5.243 4.556 1.245 0.000 0.301 142 H C 0.904 175.865 175.328 -0.612 0.000 1.082 142 H CA 1.584 57.267 56.048 -0.607 0.000 1.342 142 H CB 0.300 29.379 29.762 -1.138 0.000 1.389 142 H HN 0.322 nan 8.280 nan 0.000 0.511 143 Y N -2.092 118.303 120.300 0.158 0.000 2.435 143 Y HA 0.001 5.303 4.550 1.254 0.000 0.270 143 Y C 1.966 177.956 175.900 0.150 0.000 1.093 143 Y CA -0.369 57.818 58.100 0.144 0.000 1.226 143 Y CB 0.190 38.739 38.460 0.150 0.000 1.289 143 Y HN -0.052 nan 8.280 nan 0.000 0.529 144 L N 1.410 122.784 121.223 0.251 0.000 2.012 144 L HA -0.189 4.899 4.340 1.246 0.000 0.210 144 L C 2.427 179.391 176.870 0.156 0.000 1.073 144 L CA 2.044 56.995 54.840 0.185 0.000 0.748 144 L CB -0.518 41.606 42.059 0.108 0.000 0.891 144 L HN 0.268 nan 8.230 nan 0.000 0.431 145 E N -0.254 120.002 120.200 0.093 0.000 2.047 145 E HA -0.257 4.840 4.350 1.246 0.000 0.191 145 E C 2.052 178.688 176.600 0.061 0.000 0.987 145 E CA 1.588 58.012 56.400 0.039 0.000 0.799 145 E CB -0.141 29.563 29.700 0.008 0.000 0.752 145 E HN 0.650 nan 8.360 nan 0.000 0.449 146 E N -0.529 119.738 120.200 0.113 0.000 2.085 146 E HA -0.184 4.914 4.350 1.246 0.000 0.194 146 E C 2.018 178.704 176.600 0.143 0.000 0.994 146 E CA 1.088 57.562 56.400 0.124 0.000 0.801 146 E CB -0.277 29.526 29.700 0.173 0.000 0.743 146 E HN 0.234 nan 8.360 nan 0.000 0.453 147 F N 1.256 121.252 119.950 0.077 0.000 2.075 147 F HA -0.199 5.068 4.527 1.234 0.000 0.297 147 F C 2.002 177.784 175.800 -0.029 0.000 1.113 147 F CA 1.393 59.436 58.000 0.071 0.000 1.218 147 F CB -0.239 38.792 39.000 0.052 0.000 0.984 147 F HN -0.077 nan 8.300 nan 0.000 0.472 148 L N -0.582 120.605 121.223 -0.061 0.000 2.046 148 L HA -0.217 4.871 4.340 1.246 0.000 0.208 148 L C 2.347 178.994 176.870 -0.373 0.000 1.077 148 L CA 1.728 56.351 54.840 -0.361 0.000 0.747 148 L CB -1.205 40.706 42.059 -0.247 0.000 0.896 148 L HN 0.166 nan 8.230 nan 0.000 0.432 149 T N -0.593 113.846 114.554 -0.192 0.000 2.746 149 T HA -0.177 4.920 4.350 1.246 0.000 0.267 149 T C 2.124 176.726 174.700 -0.164 0.000 1.039 149 T CA 1.755 63.768 62.100 -0.146 0.000 1.142 149 T CB -0.212 68.616 68.868 -0.067 0.000 0.866 149 T HN 0.555 nan 8.240 nan 0.000 0.444 150 S N 1.718 117.338 115.700 -0.133 0.000 2.387 150 S HA 0.116 5.334 4.470 1.246 0.000 0.226 150 S C 2.423 176.854 174.600 -0.282 0.000 1.026 150 S CA 0.779 58.952 58.200 -0.045 0.000 0.972 150 S CB -0.527 62.774 63.200 0.169 0.000 0.814 150 S HN 0.481 nan 8.310 nan 0.000 0.477 151 A N 2.766 125.206 122.820 -0.635 0.000 1.898 151 A HA -0.105 4.963 4.320 1.246 0.000 0.216 151 A C 2.104 179.399 177.584 -0.480 0.000 1.181 151 A CA 1.795 53.153 52.037 -1.131 0.000 0.620 151 A CB -1.323 16.885 19.000 -1.320 0.000 0.819 151 A HN 0.634 nan 8.150 nan 0.000 0.442 152 N N -0.035 118.480 118.700 -0.308 0.000 2.104 152 N HA -0.211 5.276 4.740 1.246 0.000 0.190 152 N C 1.693 177.155 175.510 -0.080 0.000 1.024 152 N CA 2.163 55.206 53.050 -0.011 0.000 0.853 152 N CB -0.266 38.198 38.487 -0.038 0.000 1.008 152 N HN 0.562 nan 8.380 nan 0.000 0.424 153 K N -1.602 118.664 120.400 -0.224 0.000 2.167 153 K HA -0.075 4.992 4.320 1.246 0.000 0.203 153 K C 0.902 177.244 176.600 -0.430 0.000 1.052 153 K CA 1.024 57.101 56.287 -0.350 0.000 0.956 153 K CB 0.029 32.234 32.500 -0.492 0.000 0.735 153 K HN 0.406 nan 8.250 nan 0.000 0.451 154 H N -1.872 117.135 119.070 -0.106 0.000 3.058 154 H HA 0.058 5.369 4.556 1.259 0.000 0.258 154 H C -0.559 174.756 175.328 -0.022 0.000 1.015 154 H CA -0.298 55.728 56.048 -0.037 0.000 1.210 154 H CB 0.233 30.034 29.762 0.065 0.000 1.481 154 H HN 0.033 nan 8.280 nan 0.000 0.492 155 F N 3.667 123.458 119.950 -0.265 0.000 2.438 155 F HA 0.190 5.449 4.527 1.221 0.000 0.360 155 F C 0.649 176.438 175.800 -0.018 0.000 1.118 155 F CA -0.587 57.288 58.000 -0.208 0.000 1.164 155 F CB 0.271 39.007 39.000 -0.439 0.000 1.131 155 F HN -0.007 nan 8.300 nan 0.000 0.527 156 M N 5.110 124.454 119.600 -0.427 0.000 2.249 156 M HA -0.188 5.040 4.480 1.246 0.000 0.198 156 M C -0.503 175.771 176.300 -0.044 0.000 0.394 156 M CA 0.275 55.377 55.300 -0.330 0.000 0.427 156 M CB -2.799 29.434 32.600 -0.612 0.000 1.307 156 M HN 0.167 nan 8.290 nan 0.000 0.924 157 V N 0.488 120.409 119.914 0.011 0.000 2.617 157 V HA 0.323 5.191 4.120 1.246 0.000 0.304 157 V C 1.724 177.822 176.094 0.006 0.000 1.040 157 V CA 1.804 64.115 62.300 0.019 0.000 1.149 157 V CB 0.875 32.718 31.823 0.032 0.000 0.914 157 V HN 1.024 nan 8.190 nan 0.000 0.487 158 G N 3.458 112.209 108.800 -0.082 0.000 2.176 158 G HA2 -0.169 4.539 3.960 1.246 0.000 0.232 158 G HA3 -0.169 4.539 3.960 1.246 0.000 0.232 158 G C 0.037 174.628 174.900 -0.514 0.000 0.986 158 G CA 0.052 44.999 45.100 -0.255 0.000 0.643 158 G HN 0.791 nan 8.290 nan 0.000 0.522 159 H N -0.113 118.928 119.070 -0.047 0.000 2.768 159 H HA 0.397 5.702 4.556 1.247 0.000 0.371 159 H C -2.754 172.536 175.328 -0.063 0.000 1.151 159 H CA -1.826 54.193 56.048 -0.048 0.000 1.165 159 H CB 2.069 31.790 29.762 -0.068 0.000 1.722 159 H HN 0.001 nan 8.280 nan 0.000 0.543 160 P HA 0.016 nan 4.420 nan 0.000 0.264 160 P C -0.583 176.702 177.300 -0.025 0.000 1.193 160 P CA 0.158 63.258 63.100 -0.001 0.000 0.763 160 P CB 0.618 32.325 31.700 0.012 0.000 0.810 161 V N 5.469 125.313 119.914 -0.115 0.000 2.789 161 V HA 0.465 5.333 4.120 1.246 0.000 0.311 161 V C -0.035 175.825 176.094 -0.390 0.000 1.073 161 V CA -0.551 61.630 62.300 -0.199 0.000 0.921 161 V CB 2.201 33.879 31.823 -0.241 0.000 1.009 161 V HN 0.350 nan 8.190 nan 0.000 0.426 162 I N 3.899 124.230 120.570 -0.398 0.000 2.447 162 I HA 0.472 5.390 4.170 1.246 0.000 0.287 162 I C -1.109 174.628 176.117 -0.633 0.000 1.023 162 I CA -0.240 60.738 61.300 -0.537 0.000 1.083 162 I CB 1.771 39.466 38.000 -0.508 0.000 1.245 162 I HN 0.433 nan 8.210 nan 0.000 0.434 163 F N 5.404 125.194 119.950 -0.266 0.000 2.405 163 F HA 0.391 5.662 4.527 1.240 0.000 0.355 163 F C -0.459 175.212 175.800 -0.215 0.000 1.121 163 F CA -0.686 57.215 58.000 -0.166 0.000 1.112 163 F CB 0.815 39.800 39.000 -0.025 0.000 1.126 163 F HN 0.307 nan 8.300 nan 0.000 0.481 164 Y N 4.362 124.821 120.300 0.265 0.000 2.417 164 Y HA 0.464 5.759 4.550 1.243 0.000 0.336 164 Y C -0.427 175.518 175.900 0.075 0.000 0.961 164 Y CA -0.922 57.290 58.100 0.186 0.000 1.215 164 Y CB 0.609 39.169 38.460 0.166 0.000 1.120 164 Y HN 0.347 nan 8.280 nan 0.000 0.499 165 I N 4.369 125.053 120.570 0.191 0.000 2.336 165 I HA 0.338 5.256 4.170 1.246 0.000 0.292 165 I C -0.449 175.654 176.117 -0.023 0.000 0.991 165 I CA -0.559 60.765 61.300 0.041 0.000 1.227 165 I CB 1.047 39.079 38.000 0.054 0.000 1.366 165 I HN 0.473 nan 8.210 nan 0.000 0.466 166 M N 7.696 127.150 119.600 -0.242 0.000 2.125 166 M HA 0.592 5.820 4.480 1.246 0.000 0.321 166 M C -0.660 175.568 176.300 -0.120 0.000 0.983 166 M CA -0.512 54.619 55.300 -0.282 0.000 0.934 166 M CB 1.628 33.696 32.600 -0.887 0.000 1.542 166 M HN 0.400 nan 8.290 nan 0.000 0.424 167 V N -0.036 119.881 119.914 0.005 0.000 3.130 167 V HA 0.720 5.588 4.120 1.246 0.000 0.310 167 V C 0.014 176.151 176.094 0.073 0.000 1.158 167 V CA -0.745 61.586 62.300 0.051 0.000 1.029 167 V CB 2.169 34.020 31.823 0.047 0.000 1.057 167 V HN 0.841 nan 8.190 nan 0.000 0.436 168 D N -0.363 120.084 120.400 0.077 0.000 2.346 168 D HA 0.057 5.445 4.640 1.246 0.000 0.206 168 D C 0.101 176.438 176.300 0.062 0.000 1.001 168 D CA 0.601 54.644 54.000 0.073 0.000 0.871 168 D CB 0.443 41.286 40.800 0.071 0.000 0.943 168 D HN 0.648 nan 8.370 nan 0.000 0.518 169 D N 0.556 120.991 120.400 0.058 0.000 2.389 169 D HA 0.126 5.514 4.640 1.246 0.000 0.256 169 D C 0.982 177.308 176.300 0.044 0.000 1.239 169 D CA -0.575 53.454 54.000 0.049 0.000 0.925 169 D CB 1.934 42.762 40.800 0.047 0.000 1.145 169 D HN -0.261 nan 8.370 nan 0.000 0.542 170 V N 2.645 122.585 119.914 0.042 0.000 2.913 170 V HA -0.178 4.690 4.120 1.246 0.000 0.260 170 V C 2.415 178.528 176.094 0.030 0.000 1.098 170 V CA 1.951 64.273 62.300 0.037 0.000 1.121 170 V CB -0.527 31.318 31.823 0.036 0.000 0.714 170 V HN 0.631 nan 8.190 nan 0.000 0.487 171 S N 0.627 116.344 115.700 0.028 0.000 2.474 171 S HA -0.136 5.082 4.470 1.246 0.000 0.235 171 S C 1.898 176.510 174.600 0.020 0.000 0.997 171 S CA 0.913 59.127 58.200 0.023 0.000 0.949 171 S CB -0.295 62.919 63.200 0.022 0.000 0.766 171 S HN 0.642 nan 8.310 nan 0.000 0.517 172 R N -0.209 120.305 120.500 0.024 0.000 2.312 172 R HA 0.368 5.456 4.340 1.246 0.000 0.205 172 R C 0.378 176.687 176.300 0.014 0.000 0.904 172 R CA -0.067 56.046 56.100 0.021 0.000 1.052 172 R CB -0.110 30.209 30.300 0.032 0.000 1.014 172 R HN 0.452 nan 8.270 nan 0.000 0.503 173 M N 3.566 123.174 119.600 0.012 0.000 2.303 173 M HA 0.084 5.312 4.480 1.246 0.000 0.350 173 M C -2.259 174.020 176.300 -0.036 0.000 1.518 173 M CA -2.018 53.279 55.300 -0.006 0.000 1.070 173 M CB 0.446 33.049 32.600 0.004 0.000 1.910 173 M HN -0.203 nan 8.290 nan 0.000 0.458 174 P HA 0.128 nan 4.420 nan 0.000 0.279 174 P C -1.069 176.138 177.300 -0.156 0.000 1.318 174 P CA 0.037 63.090 63.100 -0.078 0.000 0.819 174 P CB 0.115 31.781 31.700 -0.057 0.000 0.927 175 L N 5.271 126.406 121.223 -0.147 0.000 2.423 175 L HA 0.150 5.238 4.340 1.246 0.000 0.249 175 L C 1.054 177.820 176.870 -0.174 0.000 1.276 175 L CA -0.891 53.812 54.840 -0.229 0.000 1.199 175 L CB -0.787 41.211 42.059 -0.103 0.000 1.407 175 L HN 0.332 nan 8.230 nan 0.000 0.410 176 I N -2.221 118.232 120.570 -0.195 0.000 3.079 176 I HA 0.210 5.128 4.170 1.246 0.000 0.295 176 I C 0.532 176.582 176.117 -0.111 0.000 1.094 176 I CA -0.373 60.851 61.300 -0.127 0.000 1.295 176 I CB 0.267 38.197 38.000 -0.118 0.000 1.443 176 I HN 0.268 nan 8.210 nan 0.000 0.607 177 E N 2.617 122.780 120.200 -0.061 0.000 2.316 177 E HA 0.387 5.485 4.350 1.246 0.000 0.275 177 E C -1.174 175.415 176.600 -0.018 0.000 1.029 177 E CA -0.440 55.944 56.400 -0.028 0.000 0.871 177 E CB 0.617 30.307 29.700 -0.016 0.000 1.022 177 E HN 0.557 nan 8.360 nan 0.000 0.418 178 L N 3.129 124.365 121.223 0.021 0.000 2.360 178 L HA 0.521 5.608 4.340 1.246 0.000 0.271 178 L C 0.858 177.751 176.870 0.038 0.000 1.057 178 L CA -0.709 54.164 54.840 0.055 0.000 0.803 178 L CB 1.550 43.687 42.059 0.131 0.000 1.207 178 L HN 0.642 nan 8.230 nan 0.000 0.445 179 G N 0.912 109.732 108.800 0.033 0.000 2.568 179 G HA2 0.521 5.229 3.960 1.246 0.000 0.293 179 G HA3 0.521 5.229 3.960 1.246 0.000 0.293 179 G C -2.677 172.227 174.900 0.007 0.000 1.347 179 G CA -1.348 43.758 45.100 0.010 0.000 1.039 179 G HN 0.341 nan 8.290 nan 0.000 0.523 180 P HA 0.139 nan 4.420 nan 0.000 0.264 180 P C 0.529 177.814 177.300 -0.024 0.000 1.183 180 P CA 0.379 63.469 63.100 -0.016 0.000 0.763 180 P CB 0.339 32.026 31.700 -0.021 0.000 0.807 181 L N -1.151 120.053 121.223 -0.032 0.000 4.696 181 L HA -0.279 4.809 4.340 1.246 0.000 0.425 181 L C 0.239 177.064 176.870 -0.076 0.000 1.115 181 L CA 0.733 55.545 54.840 -0.047 0.000 0.996 181 L CB -1.140 40.890 42.059 -0.047 0.000 2.077 181 L HN 0.494 nan 8.230 nan 0.000 0.792 182 R N 0.277 120.738 120.500 -0.064 0.000 2.637 182 R HA 0.775 5.863 4.340 1.246 0.000 0.291 182 R C -0.084 176.178 176.300 -0.062 0.000 0.963 182 R CA 0.261 56.289 56.100 -0.120 0.000 0.901 182 R CB 2.065 32.376 30.300 0.017 0.000 1.160 182 R HN 0.237 nan 8.270 nan 0.000 0.457 183 S N 1.342 116.967 115.700 -0.125 0.000 2.607 183 S HA 0.795 6.013 4.470 1.246 0.000 0.273 183 S C -1.069 173.569 174.600 0.064 0.000 1.148 183 S CA -0.967 57.225 58.200 -0.012 0.000 0.833 183 S CB 1.271 64.409 63.200 -0.102 0.000 1.130 183 S HN 0.465 nan 8.310 nan 0.000 0.470 184 F N -0.736 119.169 119.950 -0.076 0.000 2.664 184 F HA 0.938 6.212 4.527 1.246 0.000 0.329 184 F C -0.887 174.840 175.800 -0.122 0.000 1.090 184 F CA -1.130 56.833 58.000 -0.062 0.000 0.978 184 F CB 1.497 40.526 39.000 0.048 0.000 1.378 184 F HN 0.872 nan 8.300 nan 0.000 0.495 185 K N 1.702 122.048 120.400 -0.090 0.000 2.616 185 K HA 0.610 5.678 4.320 1.246 0.000 0.255 185 K C -2.500 173.974 176.600 -0.211 0.000 0.995 185 K CA -0.461 55.653 56.287 -0.288 0.000 0.860 185 K CB 1.896 34.282 32.500 -0.189 0.000 1.264 185 K HN 0.720 nan 8.250 nan 0.000 0.451 186 V N 4.957 124.692 119.914 -0.299 0.000 2.547 186 V HA 0.606 5.474 4.120 1.246 0.000 0.299 186 V C -0.753 175.036 176.094 -0.507 0.000 1.040 186 V CA -0.503 61.671 62.300 -0.210 0.000 0.913 186 V CB 1.021 32.862 31.823 0.031 0.000 0.992 186 V HN 0.589 nan 8.190 nan 0.000 0.449 187 F N 2.489 122.446 119.950 0.011 0.000 2.540 187 F HA 0.507 5.781 4.527 1.244 0.000 0.317 187 F C 0.129 175.935 175.800 0.010 0.000 1.104 187 F CA -0.772 57.238 58.000 0.017 0.000 0.913 187 F CB 1.932 40.940 39.000 0.013 0.000 1.170 187 F HN 0.304 nan 8.300 nan 0.000 0.450 188 K N 5.321 125.855 120.400 0.223 0.000 2.227 188 K HA 0.635 5.703 4.320 1.246 0.000 0.280 188 K C -0.910 175.778 176.600 0.147 0.000 1.041 188 K CA -0.309 56.063 56.287 0.141 0.000 0.905 188 K CB 0.656 33.218 32.500 0.102 0.000 1.068 188 K HN 0.768 nan 8.250 nan 0.000 0.470 189 I N 0.001 120.643 120.570 0.119 0.000 2.957 189 I HA 0.459 5.376 4.170 1.246 0.000 0.310 189 I C -0.674 175.497 176.117 0.090 0.000 1.063 189 I CA -1.282 60.087 61.300 0.115 0.000 1.033 189 I CB 1.725 39.812 38.000 0.145 0.000 1.230 189 I HN 0.474 nan 8.210 nan 0.000 0.447 190 K N 3.981 124.426 120.400 0.075 0.000 2.298 190 K HA 0.380 5.448 4.320 1.246 0.000 0.280 190 K C -2.372 174.262 176.600 0.056 0.000 1.032 190 K CA -1.386 54.934 56.287 0.055 0.000 0.958 190 K CB 0.662 33.185 32.500 0.039 0.000 0.978 190 K HN 0.493 nan 8.250 nan 0.000 0.472 191 P HA 0.144 nan 4.420 nan 0.000 0.292 191 P C -0.995 176.321 177.300 0.028 0.000 1.326 191 P CA -0.416 62.711 63.100 0.045 0.000 0.787 191 P CB 1.078 32.807 31.700 0.049 0.000 0.903 192 E N 2.946 123.155 120.200 0.014 0.000 2.408 192 E HA 0.018 5.116 4.350 1.246 0.000 0.259 192 E C 1.151 177.750 176.600 -0.001 0.000 1.110 192 E CA -0.024 56.374 56.400 -0.003 0.000 0.929 192 E CB 1.011 30.696 29.700 -0.025 0.000 0.971 192 E HN 0.424 nan 8.360 nan 0.000 0.438 193 K N 1.193 121.587 120.400 -0.011 0.000 2.155 193 K HA -0.035 5.032 4.320 1.246 0.000 0.203 193 K C 0.560 177.151 176.600 -0.014 0.000 1.052 193 K CA 0.867 57.151 56.287 -0.005 0.000 0.948 193 K CB 0.119 32.613 32.500 -0.010 0.000 0.728 193 K HN 0.202 nan 8.250 nan 0.000 0.448 194 R N 1.206 121.666 120.500 -0.067 0.000 2.393 194 R HA 0.091 5.178 4.340 1.246 0.000 0.310 194 R C 1.032 177.230 176.300 -0.170 0.000 0.968 194 R CA -0.591 55.420 56.100 -0.148 0.000 0.867 194 R CB 0.718 30.863 30.300 -0.258 0.000 1.124 194 R HN 0.322 nan 8.270 nan 0.000 0.450 195 W N 3.278 124.517 121.300 -0.101 0.000 2.350 195 W HA -0.235 5.172 4.660 1.245 0.000 0.289 195 W C 0.371 176.762 176.519 -0.214 0.000 1.215 195 W CA 0.829 58.087 57.345 -0.146 0.000 1.236 195 W CB -0.355 29.027 29.460 -0.130 0.000 1.130 195 W HN 0.574 nan 8.180 nan 0.000 0.541 196 Q N 1.151 120.277 119.800 -1.122 0.000 2.084 196 Q HA -0.165 4.923 4.340 1.246 0.000 0.202 196 Q C 1.860 177.567 176.000 -0.488 0.000 0.978 196 Q CA 2.368 57.466 55.803 -1.175 0.000 0.844 196 Q CB -0.571 27.393 28.738 -1.290 0.000 0.898 196 Q HN 0.215 nan 8.270 nan 0.000 0.426 197 D N -0.203 119.998 120.400 -0.331 0.000 2.224 197 D HA -0.047 5.341 4.640 1.246 0.000 0.205 197 D C 1.762 177.991 176.300 -0.119 0.000 0.965 197 D CA 0.643 54.545 54.000 -0.163 0.000 0.852 197 D CB 0.087 40.818 40.800 -0.116 0.000 0.947 197 D HN 0.278 nan 8.370 nan 0.000 0.494 198 I N 0.508 121.007 120.570 -0.119 0.000 2.179 198 I HA -0.257 4.661 4.170 1.246 0.000 0.242 198 I C 2.568 178.588 176.117 -0.161 0.000 1.088 198 I CA 0.814 62.052 61.300 -0.103 0.000 1.357 198 I CB -0.210 37.749 38.000 -0.069 0.000 1.051 198 I HN -0.061 nan 8.210 nan 0.000 0.409 199 S N 0.632 116.254 115.700 -0.130 0.000 2.368 199 S HA -0.162 5.056 4.470 1.246 0.000 0.225 199 S C 2.106 176.633 174.600 -0.122 0.000 1.030 199 S CA 1.364 59.492 58.200 -0.120 0.000 0.999 199 S CB -0.088 63.104 63.200 -0.013 0.000 0.844 199 S HN 0.279 nan 8.310 nan 0.000 0.459 200 M N -0.200 119.351 119.600 -0.082 0.000 2.236 200 M HA 0.050 5.277 4.480 1.246 0.000 0.266 200 M C 2.226 178.525 176.300 -0.002 0.000 1.070 200 M CA 1.026 56.323 55.300 -0.004 0.000 1.137 200 M CB -0.361 32.263 32.600 0.040 0.000 1.378 200 M HN 0.353 nan 8.290 nan 0.000 0.426 201 M N 0.617 120.183 119.600 -0.057 0.000 2.446 201 M HA -0.116 5.112 4.480 1.246 0.000 0.263 201 M C 1.866 177.974 176.300 -0.321 0.000 1.066 201 M CA 1.655 56.873 55.300 -0.135 0.000 1.087 201 M CB -0.409 32.132 32.600 -0.099 0.000 1.406 201 M HN 0.059 nan 8.290 nan 0.000 0.459 202 R N -1.070 119.176 120.500 -0.424 0.000 2.105 202 R HA -0.171 4.917 4.340 1.246 0.000 0.239 202 R C 1.962 178.067 176.300 -0.326 0.000 1.135 202 R CA 1.636 57.321 56.100 -0.692 0.000 0.967 202 R CB -0.475 29.269 30.300 -0.927 0.000 0.861 202 R HN 0.389 nan 8.270 nan 0.000 0.442 203 M N 0.751 120.214 119.600 -0.227 0.000 2.149 203 M HA -0.182 5.046 4.480 1.246 0.000 0.261 203 M C 2.158 178.274 176.300 -0.306 0.000 1.064 203 M CA 1.610 56.818 55.300 -0.154 0.000 1.102 203 M CB -0.733 31.847 32.600 -0.034 0.000 1.369 203 M HN 0.097 nan 8.290 nan 0.000 0.408 204 K N -0.199 119.787 120.400 -0.689 0.000 2.007 204 K HA -0.107 4.961 4.320 1.246 0.000 0.206 204 K C 1.860 178.233 176.600 -0.377 0.000 1.047 204 K CA 1.809 57.592 56.287 -0.841 0.000 0.937 204 K CB -0.029 31.564 32.500 -1.512 0.000 0.718 204 K HN 0.208 nan 8.250 nan 0.000 0.438 205 T N 1.910 116.322 114.554 -0.237 0.000 2.720 205 T HA -0.136 4.961 4.350 1.246 0.000 0.268 205 T C 1.882 176.643 174.700 0.102 0.000 1.037 205 T CA 1.609 63.712 62.100 0.005 0.000 1.144 205 T CB -0.194 68.814 68.868 0.232 0.000 0.864 205 T HN 0.203 nan 8.240 nan 0.000 0.444 206 I N 1.165 121.789 120.570 0.091 0.000 2.179 206 I HA -0.128 4.789 4.170 1.246 0.000 0.242 206 I C 2.942 179.027 176.117 -0.053 0.000 1.088 206 I CA 1.366 62.702 61.300 0.059 0.000 1.357 206 I CB -0.808 37.236 38.000 0.073 0.000 1.051 206 I HN 0.324 nan 8.210 nan 0.000 0.409 207 G N 0.437 109.180 108.800 -0.095 0.000 2.440 207 G HA2 -0.244 4.464 3.960 1.246 0.000 0.218 207 G HA3 -0.244 4.464 3.960 1.246 0.000 0.218 207 G C 1.492 176.296 174.900 -0.161 0.000 1.154 207 G CA 0.748 45.772 45.100 -0.126 0.000 0.767 207 G HN 0.446 nan 8.290 nan 0.000 0.552 208 E N -0.265 119.825 120.200 -0.184 0.000 2.051 208 E HA -0.115 4.983 4.350 1.246 0.000 0.192 208 E C 2.276 178.670 176.600 -0.345 0.000 0.991 208 E CA 0.838 57.089 56.400 -0.250 0.000 0.799 208 E CB -0.250 29.279 29.700 -0.286 0.000 0.748 208 E HN 0.476 nan 8.360 nan 0.000 0.449 209 H N 0.318 119.192 119.070 -0.326 0.000 2.423 209 H HA -0.033 5.272 4.556 1.248 0.000 0.297 209 H C 2.233 177.145 175.328 -0.693 0.000 1.075 209 H CA 0.930 56.648 56.048 -0.549 0.000 1.342 209 H CB 0.070 29.488 29.762 -0.574 0.000 1.395 209 H HN 0.189 nan 8.280 nan 0.000 0.530 210 I N 0.035 120.395 120.570 -0.349 0.000 2.202 210 I HA -0.222 4.696 4.170 1.246 0.000 0.242 210 I C 2.456 178.390 176.117 -0.304 0.000 1.091 210 I CA 0.702 61.802 61.300 -0.333 0.000 1.368 210 I CB -0.133 37.735 38.000 -0.219 0.000 1.058 210 I HN 0.001 nan 8.210 nan 0.000 0.410 211 V N 1.020 120.789 119.914 -0.242 0.000 2.307 211 V HA -0.268 4.600 4.120 1.246 0.000 0.245 211 V C 2.691 178.697 176.094 -0.146 0.000 1.045 211 V CA 1.995 64.184 62.300 -0.185 0.000 1.024 211 V CB -1.025 30.714 31.823 -0.139 0.000 0.651 211 V HN 0.480 nan 8.190 nan 0.000 0.449 212 A N 0.249 122.972 122.820 -0.162 0.000 1.898 212 A HA -0.190 4.877 4.320 1.246 0.000 0.216 212 A C 1.936 179.598 177.584 0.131 0.000 1.181 212 A CA 2.559 54.574 52.037 -0.036 0.000 0.620 212 A CB -0.383 18.577 19.000 -0.067 0.000 0.819 212 A HN 0.963 nan 8.150 nan 0.000 0.442 213 H N -5.209 113.869 119.070 0.014 0.000 2.950 213 H HA 0.303 5.606 4.556 1.246 0.000 0.202 213 H C 1.416 176.771 175.328 0.045 0.000 0.893 213 H CA 0.156 56.272 56.048 0.114 0.000 0.931 213 H CB -0.454 29.399 29.762 0.152 0.000 1.158 213 H HN 0.166 nan 8.280 nan 0.000 0.545 214 I N 2.356 122.653 120.570 -0.455 0.000 2.248 214 I HA -0.300 4.618 4.170 1.246 0.000 0.248 214 I C 2.563 178.595 176.117 -0.141 0.000 1.107 214 I CA 2.231 63.375 61.300 -0.259 0.000 1.373 214 I CB -0.378 37.322 38.000 -0.500 0.000 1.055 214 I HN 0.532 nan 8.210 nan 0.000 0.418 215 Q N 0.246 119.889 119.800 -0.261 0.000 2.291 215 Q HA -0.219 4.869 4.340 1.246 0.000 0.206 215 Q C 1.654 177.495 176.000 -0.264 0.000 0.976 215 Q CA 1.506 57.129 55.803 -0.299 0.000 0.875 215 Q CB -0.340 28.143 28.738 -0.425 0.000 0.927 215 Q HN 0.586 nan 8.270 nan 0.000 0.450 216 H N 0.201 119.275 119.070 0.006 0.000 2.562 216 H HA 0.163 5.467 4.556 1.247 0.000 0.267 216 H C 0.808 176.171 175.328 0.058 0.000 0.959 216 H CA 0.955 57.021 56.048 0.030 0.000 1.204 216 H CB 0.566 30.355 29.762 0.045 0.000 1.430 216 H HN 0.570 nan 8.280 nan 0.000 0.545 217 E N 0.671 120.984 120.200 0.189 0.000 2.389 217 E HA 0.098 5.196 4.350 1.246 0.000 0.199 217 E C 0.558 177.248 176.600 0.149 0.000 0.978 217 E CA 0.121 56.637 56.400 0.193 0.000 0.912 217 E CB 1.232 31.117 29.700 0.308 0.000 0.907 217 E HN 0.127 nan 8.360 nan 0.000 0.494 218 V N -2.221 117.760 119.914 0.111 0.000 3.130 218 V HA 0.323 5.191 4.120 1.246 0.000 0.310 218 V C -0.423 175.664 176.094 -0.012 0.000 1.158 218 V CA -0.868 61.484 62.300 0.086 0.000 1.029 218 V CB 2.300 34.219 31.823 0.161 0.000 1.057 218 V HN -0.169 nan 8.190 nan 0.000 0.436 219 D N 0.525 120.901 120.400 -0.039 0.000 2.301 219 D HA 0.254 5.642 4.640 1.246 0.000 0.206 219 D C -0.362 175.567 176.300 -0.619 0.000 0.979 219 D CA 1.471 55.310 54.000 -0.267 0.000 0.874 219 D CB 0.609 41.308 40.800 -0.168 0.000 0.968 219 D HN 0.508 nan 8.370 nan 0.000 0.510 220 F N -0.018 119.923 119.950 -0.015 0.000 2.613 220 F HA 0.448 5.729 4.527 1.256 0.000 0.310 220 F C -0.747 175.054 175.800 0.002 0.000 1.085 220 F CA -1.157 56.814 58.000 -0.049 0.000 0.945 220 F CB 2.234 41.173 39.000 -0.101 0.000 1.298 220 F HN -0.339 nan 8.300 nan 0.000 0.455 221 L N 1.855 123.159 121.223 0.133 0.000 2.445 221 L HA 0.726 5.814 4.340 1.246 0.000 0.262 221 L C -2.100 174.744 176.870 -0.043 0.000 0.974 221 L CA -0.449 54.464 54.840 0.120 0.000 0.822 221 L CB 1.810 43.902 42.059 0.055 0.000 1.339 221 L HN 0.474 nan 8.230 nan 0.000 0.409 222 F N 2.626 122.672 119.950 0.161 0.000 2.532 222 F HA 0.652 5.947 4.527 1.281 0.000 0.321 222 F C -0.463 175.276 175.800 -0.102 0.000 1.089 222 F CA -0.338 57.694 58.000 0.053 0.000 0.926 222 F CB 1.978 41.078 39.000 0.167 0.000 1.168 222 F HN 0.427 nan 8.300 nan 0.000 0.459 223 C N 4.759 123.968 119.300 -0.152 0.000 2.340 223 C HA 0.792 5.999 4.460 1.246 0.000 0.323 223 C C -0.280 174.529 174.990 -0.301 0.000 1.260 223 C CA -1.015 57.800 59.018 -0.338 0.000 1.464 223 C CB 0.029 27.287 27.740 -0.804 0.000 2.156 223 C HN 0.712 nan 8.230 nan 0.000 0.476 224 M N 1.558 121.080 119.600 -0.131 0.000 2.619 224 M HA 0.409 5.636 4.480 1.246 0.000 0.297 224 M C -1.062 175.122 176.300 -0.194 0.000 1.229 224 M CA -0.499 54.722 55.300 -0.131 0.000 0.860 224 M CB 1.644 34.215 32.600 -0.049 0.000 1.741 224 M HN 0.483 nan 8.290 nan 0.000 0.462 225 D N 0.699 120.974 120.400 -0.208 0.000 2.360 225 D HA 0.107 5.495 4.640 1.246 0.000 0.242 225 D C 0.363 176.428 176.300 -0.393 0.000 1.184 225 D CA -0.056 53.810 54.000 -0.225 0.000 0.930 225 D CB 1.622 42.298 40.800 -0.207 0.000 1.161 225 D HN 0.345 nan 8.370 nan 0.000 0.447 226 V N 0.937 120.653 119.914 -0.330 0.000 3.471 226 V HA -0.054 4.813 4.120 1.246 0.000 0.258 226 V C 0.358 176.350 176.094 -0.170 0.000 1.192 226 V CA 0.507 62.550 62.300 -0.429 0.000 1.116 226 V CB -0.150 31.576 31.823 -0.161 0.000 0.792 226 V HN 0.543 nan 8.190 nan 0.000 0.459 227 D N 1.985 122.226 120.400 -0.265 0.000 3.032 227 D HA 0.080 5.468 4.640 1.246 0.000 0.241 227 D C 0.179 176.319 176.300 -0.267 0.000 1.196 227 D CA -0.069 53.556 54.000 -0.624 0.000 0.927 227 D CB -0.255 40.096 40.800 -0.748 0.000 1.129 227 D HN 0.781 nan 8.370 nan 0.000 0.458 228 Q N -1.863 117.922 119.800 -0.026 0.000 2.630 228 Q HA 0.633 5.721 4.340 1.246 0.000 0.295 228 Q C -1.728 174.399 176.000 0.212 0.000 0.944 228 Q CA -1.215 54.645 55.803 0.094 0.000 0.766 228 Q CB 1.627 30.381 28.738 0.026 0.000 1.471 228 Q HN -0.046 nan 8.270 nan 0.000 0.416 229 V N 1.006 121.009 119.914 0.147 0.000 2.760 229 V HA 0.475 5.343 4.120 1.246 0.000 0.309 229 V C -1.080 175.066 176.094 0.086 0.000 1.077 229 V CA -0.738 61.653 62.300 0.152 0.000 0.910 229 V CB 1.649 33.590 31.823 0.196 0.000 1.008 229 V HN 0.685 nan 8.190 nan 0.000 0.424 230 F N 2.917 122.880 119.950 0.022 0.000 2.495 230 F HA 0.315 5.604 4.527 1.270 0.000 0.365 230 F C 1.440 177.267 175.800 0.044 0.000 1.090 230 F CA 0.247 58.277 58.000 0.050 0.000 1.235 230 F CB 0.930 39.974 39.000 0.073 0.000 1.119 230 F HN 0.479 nan 8.300 nan 0.000 0.562 231 Q N 0.757 120.602 119.800 0.076 0.000 2.353 231 Q HA 0.173 5.261 4.340 1.246 0.000 0.240 231 Q C -0.139 175.625 176.000 -0.394 0.000 0.868 231 Q CA 0.478 56.256 55.803 -0.041 0.000 0.944 231 Q CB 0.889 29.671 28.738 0.073 0.000 1.104 231 Q HN 0.658 nan 8.270 nan 0.000 0.531 232 D N -0.567 119.498 120.400 -0.559 0.000 2.768 232 D HA 0.139 5.527 4.640 1.246 0.000 0.327 232 D C -0.895 175.252 176.300 -0.256 0.000 1.302 232 D CA -0.508 53.148 54.000 -0.573 0.000 0.897 232 D CB 1.350 42.043 40.800 -0.179 0.000 1.420 232 D HN -0.332 nan 8.370 nan 0.000 0.494 233 K N 0.977 121.400 120.400 0.037 0.000 2.466 233 K HA 0.047 5.115 4.320 1.246 0.000 0.278 233 K C -0.250 176.474 176.600 0.206 0.000 1.048 233 K CA 0.401 56.806 56.287 0.197 0.000 1.088 233 K CB -0.351 32.254 32.500 0.174 0.000 0.884 233 K HN 0.323 nan 8.250 nan 0.000 0.478 234 F N 2.593 122.638 119.950 0.160 0.000 2.451 234 F HA 0.335 5.672 4.527 1.351 0.000 0.367 234 F C 0.539 176.339 175.800 0.000 0.000 1.100 234 F CA -0.516 57.607 58.000 0.205 0.000 1.171 234 F CB 0.645 39.936 39.000 0.486 0.000 1.405 234 F HN 0.565 nan 8.300 nan 0.000 0.482 235 G N 1.516 110.359 108.800 0.072 0.000 2.828 235 G HA2 0.309 5.017 3.960 1.246 0.000 0.244 235 G HA3 0.309 5.017 3.960 1.246 0.000 0.244 235 G C 0.904 175.676 174.900 -0.213 0.000 1.365 235 G CA -0.094 44.963 45.100 -0.072 0.000 1.041 235 G HN 0.536 nan 8.290 nan 0.000 0.560 236 V N -0.643 119.106 119.914 -0.275 0.000 2.660 236 V HA -0.153 4.715 4.120 1.246 0.000 0.257 236 V C 2.281 178.110 176.094 -0.442 0.000 1.088 236 V CA 2.535 64.566 62.300 -0.448 0.000 1.106 236 V CB -0.782 30.780 31.823 -0.436 0.000 0.686 236 V HN 0.745 nan 8.190 nan 0.000 0.481 237 E N 2.634 122.604 120.200 -0.382 0.000 2.401 237 E HA -0.205 4.893 4.350 1.246 0.000 0.199 237 E C 1.844 178.139 176.600 -0.509 0.000 1.023 237 E CA 1.693 57.803 56.400 -0.484 0.000 0.859 237 E CB -0.868 28.556 29.700 -0.460 0.000 0.780 237 E HN 0.845 nan 8.360 nan 0.000 0.523 238 T N -1.321 112.977 114.554 -0.427 0.000 3.081 238 T HA 0.237 5.335 4.350 1.246 0.000 0.250 238 T C 1.105 175.731 174.700 -0.124 0.000 1.100 238 T CA -0.375 61.538 62.100 -0.312 0.000 1.038 238 T CB -0.234 68.446 68.868 -0.313 0.000 0.962 238 T HN 0.014 nan 8.240 nan 0.000 0.516 239 L N 1.618 122.622 121.223 -0.366 0.000 2.439 239 L HA 0.639 5.727 4.340 1.246 0.000 0.269 239 L C 0.944 177.529 176.870 -0.476 0.000 1.179 239 L CA 0.008 54.483 54.840 -0.608 0.000 0.828 239 L CB 0.618 41.924 42.059 -1.254 0.000 1.106 239 L HN 0.487 nan 8.230 nan 0.000 0.467 240 G N 0.972 109.571 108.800 -0.335 0.000 2.451 240 G HA2 0.147 4.855 3.960 1.246 0.000 0.292 240 G HA3 0.147 4.855 3.960 1.246 0.000 0.292 240 G C -0.115 174.921 174.900 0.226 0.000 1.427 240 G CA -0.449 44.648 45.100 -0.004 0.000 0.792 240 G HN 0.418 nan 8.290 nan 0.000 0.498 241 E N -0.301 120.030 120.200 0.218 0.000 2.038 241 E HA -0.066 5.032 4.350 1.246 0.000 0.195 241 E C 1.398 178.085 176.600 0.144 0.000 1.000 241 E CA 1.968 58.481 56.400 0.188 0.000 0.803 241 E CB -0.191 29.596 29.700 0.146 0.000 0.750 241 E HN 0.703 nan 8.360 nan 0.000 0.448 242 S N -0.420 115.357 115.700 0.128 0.000 2.614 242 S HA 0.538 5.756 4.470 1.246 0.000 0.288 242 S C -0.585 174.058 174.600 0.072 0.000 1.137 242 S CA -0.971 57.318 58.200 0.148 0.000 0.992 242 S CB 2.079 65.426 63.200 0.245 0.000 1.026 242 S HN -0.104 nan 8.310 nan 0.000 0.486 243 V N 2.113 122.063 119.914 0.059 0.000 2.448 243 V HA 0.900 5.768 4.120 1.246 0.000 0.295 243 V C 0.300 176.404 176.094 0.017 0.000 1.025 243 V CA -0.482 61.821 62.300 0.005 0.000 0.859 243 V CB 1.209 33.050 31.823 0.030 0.000 0.988 243 V HN 1.238 nan 8.190 nan 0.000 0.431 244 A N 3.589 126.283 122.820 -0.210 0.000 2.354 244 A HA 0.897 5.965 4.320 1.246 0.000 0.321 244 A C -0.789 176.811 177.584 0.026 0.000 1.125 244 A CA -0.711 51.163 52.037 -0.272 0.000 0.799 244 A CB 1.899 20.180 19.000 -1.198 0.000 1.293 244 A HN 0.753 nan 8.150 nan 0.000 0.452 245 Q N 0.818 120.744 119.800 0.210 0.000 2.316 245 Q HA 0.606 5.694 4.340 1.246 0.000 0.264 245 Q C -1.640 174.554 176.000 0.323 0.000 0.987 245 Q CA -0.181 55.769 55.803 0.245 0.000 0.852 245 Q CB 1.130 30.047 28.738 0.298 0.000 1.287 245 Q HN 0.631 nan 8.270 nan 0.000 0.448 246 L N 3.794 125.136 121.223 0.198 0.000 2.313 246 L HA 0.260 5.348 4.340 1.246 0.000 0.282 246 L C 0.508 177.562 176.870 0.307 0.000 1.092 246 L CA -0.442 54.516 54.840 0.196 0.000 0.831 246 L CB 0.991 43.083 42.059 0.056 0.000 1.159 246 L HN 0.594 nan 8.230 nan 0.000 0.442 247 Q N 2.031 122.059 119.800 0.380 0.000 2.274 247 Q HA -0.004 5.084 4.340 1.246 0.000 0.280 247 Q C 0.907 177.175 176.000 0.446 0.000 1.047 247 Q CA 0.374 56.434 55.803 0.429 0.000 0.907 247 Q CB 1.543 30.577 28.738 0.493 0.000 1.171 247 Q HN 0.848 nan 8.270 nan 0.000 0.381 248 A N 4.376 127.426 122.820 0.382 0.000 1.917 248 A HA -0.206 4.862 4.320 1.246 0.000 0.219 248 A C 1.289 178.887 177.584 0.023 0.000 1.182 248 A CA 1.541 53.653 52.037 0.126 0.000 0.633 248 A CB -0.638 18.111 19.000 -0.419 0.000 0.819 248 A HN 0.907 nan 8.150 nan 0.000 0.448 249 W N -2.580 118.658 121.300 -0.103 0.000 2.800 249 W HA 0.115 5.525 4.660 1.249 0.000 0.249 249 W C 1.035 177.224 176.519 -0.549 0.000 1.294 249 W CA 0.127 57.226 57.345 -0.409 0.000 1.402 249 W CB -0.280 28.787 29.460 -0.656 0.000 1.126 249 W HN 0.536 nan 8.180 nan 0.000 0.652 250 W N -1.630 119.845 121.300 0.291 0.000 2.702 250 W HA 0.174 5.575 4.660 1.235 0.000 0.369 250 W C 1.668 178.376 176.519 0.315 0.000 0.987 250 W CA -0.794 56.695 57.345 0.239 0.000 1.702 250 W CB -1.202 28.326 29.460 0.113 0.000 1.138 250 W HN 0.008 nan 8.180 nan 0.000 0.552 251 Y N 0.416 120.954 120.300 0.397 0.000 2.403 251 Y HA -0.008 5.316 4.550 1.290 0.000 0.291 251 Y C 1.600 177.755 175.900 0.424 0.000 1.143 251 Y CA 1.417 59.760 58.100 0.404 0.000 1.257 251 Y CB -0.420 38.238 38.460 0.329 0.000 0.984 251 Y HN -0.135 nan 8.280 nan 0.000 0.550 252 K N 0.698 120.992 120.400 -0.177 0.000 2.358 252 K HA 0.404 5.472 4.320 1.246 0.000 0.197 252 K C 0.667 177.310 176.600 0.072 0.000 1.025 252 K CA 0.270 56.481 56.287 -0.126 0.000 1.104 252 K CB 0.418 32.691 32.500 -0.378 0.000 0.855 252 K HN 0.318 nan 8.250 nan 0.000 0.531 253 A N 1.793 124.754 122.820 0.235 0.000 2.332 253 A HA 0.062 5.130 4.320 1.246 0.000 0.258 253 A C -0.494 177.171 177.584 0.136 0.000 1.087 253 A CA -0.246 51.952 52.037 0.269 0.000 0.802 253 A CB 0.274 19.620 19.000 0.576 0.000 1.042 253 A HN 0.207 nan 8.150 nan 0.000 0.489 254 D N 0.647 121.024 120.400 -0.038 0.000 2.350 254 D HA 0.360 5.748 4.640 1.246 0.000 0.249 254 D C -1.713 174.164 176.300 -0.705 0.000 1.119 254 D CA -1.332 52.530 54.000 -0.230 0.000 0.886 254 D CB 1.003 41.725 40.800 -0.131 0.000 1.195 254 D HN 0.140 nan 8.370 nan 0.000 0.437 255 P HA -0.187 nan 4.420 nan 0.000 0.217 255 P C 0.485 177.259 177.300 -0.875 0.000 1.151 255 P CA 1.074 63.222 63.100 -1.588 0.000 0.849 255 P CB 0.111 31.483 31.700 -0.547 0.000 0.787 256 N N -0.913 117.576 118.700 -0.352 0.000 2.571 256 N HA -0.079 5.408 4.740 1.246 0.000 0.189 256 N C 0.560 176.086 175.510 0.027 0.000 1.154 256 N CA 0.908 53.955 53.050 -0.005 0.000 0.907 256 N CB -0.289 38.243 38.487 0.075 0.000 0.977 256 N HN 0.270 nan 8.380 nan 0.000 0.449 257 D N -0.474 119.841 120.400 -0.142 0.000 2.407 257 D HA 0.093 5.481 4.640 1.246 0.000 0.208 257 D C 0.405 176.623 176.300 -0.137 0.000 1.083 257 D CA -0.146 53.858 54.000 0.006 0.000 0.844 257 D CB 0.273 41.162 40.800 0.149 0.000 0.967 257 D HN 0.156 nan 8.370 nan 0.000 0.506 258 F N 1.863 121.548 119.950 -0.442 0.000 2.595 258 F HA -0.042 5.238 4.527 1.255 0.000 0.359 258 F C 1.768 177.026 175.800 -0.902 0.000 1.147 258 F CA -0.007 57.413 58.000 -0.966 0.000 1.341 258 F CB 0.631 38.947 39.000 -1.138 0.000 1.104 258 F HN -0.187 nan 8.300 nan 0.000 0.603 259 T N 0.824 114.768 114.554 -1.018 0.000 3.607 259 T HA 0.199 5.297 4.350 1.246 0.000 0.225 259 T C -0.211 174.488 174.700 -0.002 0.000 0.904 259 T CA -0.347 61.470 62.100 -0.470 0.000 0.962 259 T CB -1.187 67.387 68.868 -0.489 0.000 1.221 259 T HN 0.357 nan 8.240 nan 0.000 0.641 260 Y N 0.787 121.117 120.300 0.051 0.000 2.330 260 Y HA 0.266 5.562 4.550 1.243 0.000 0.341 260 Y C 1.131 177.055 175.900 0.039 0.000 1.278 260 Y CA -1.340 56.829 58.100 0.114 0.000 1.453 260 Y CB 0.542 39.010 38.460 0.012 0.000 1.342 260 Y HN 0.263 nan 8.280 nan 0.000 0.590 261 E N 1.431 121.741 120.200 0.182 0.000 2.257 261 E HA 0.053 5.150 4.350 1.246 0.000 0.278 261 E C -0.059 176.588 176.600 0.078 0.000 1.049 261 E CA -0.092 56.354 56.400 0.076 0.000 0.876 261 E CB 0.546 30.236 29.700 -0.016 0.000 1.035 261 E HN 0.386 nan 8.360 nan 0.000 0.419 262 R N 3.761 124.314 120.500 0.089 0.000 2.362 262 R HA 0.190 5.277 4.340 1.246 0.000 0.227 262 R C -0.046 176.414 176.300 0.268 0.000 0.905 262 R CA -0.009 56.165 56.100 0.122 0.000 1.067 262 R CB 0.101 30.395 30.300 -0.010 0.000 1.078 262 R HN 0.394 nan 8.270 nan 0.000 0.516 263 R N 1.379 121.962 120.500 0.138 0.000 2.216 263 R HA 0.178 5.266 4.340 1.246 0.000 0.332 263 R C 0.945 177.112 176.300 -0.221 0.000 1.056 263 R CA -0.115 55.969 56.100 -0.028 0.000 0.901 263 R CB 0.886 31.164 30.300 -0.038 0.000 1.039 263 R HN -0.078 nan 8.270 nan 0.000 0.456 264 K N 1.966 121.986 120.400 -0.634 0.000 2.218 264 K HA -0.220 4.848 4.320 1.246 0.000 0.205 264 K C 0.879 177.243 176.600 -0.394 0.000 1.046 264 K CA 1.490 57.198 56.287 -0.965 0.000 0.933 264 K CB 0.174 32.198 32.500 -0.793 0.000 0.728 264 K HN 0.457 nan 8.250 nan 0.000 0.454 265 E N 0.650 120.712 120.200 -0.231 0.000 2.268 265 E HA -0.043 5.055 4.350 1.246 0.000 0.195 265 E C 0.637 177.187 176.600 -0.085 0.000 0.995 265 E CA 0.349 56.670 56.400 -0.132 0.000 0.836 265 E CB 0.159 29.800 29.700 -0.099 0.000 0.763 265 E HN 0.036 nan 8.360 nan 0.000 0.491 266 S N -0.669 114.989 115.700 -0.069 0.000 2.562 266 S HA 0.465 5.683 4.470 1.246 0.000 0.275 266 S C 1.056 175.664 174.600 0.013 0.000 1.281 266 S CA -0.096 58.090 58.200 -0.024 0.000 1.045 266 S CB 1.341 64.518 63.200 -0.039 0.000 0.962 266 S HN 0.177 nan 8.310 nan 0.000 0.503 267 A N 3.667 126.513 122.820 0.045 0.000 2.172 267 A HA 0.264 5.332 4.320 1.246 0.000 0.216 267 A C 1.842 179.453 177.584 0.045 0.000 1.154 267 A CA 1.256 53.334 52.037 0.069 0.000 0.701 267 A CB -0.699 18.365 19.000 0.108 0.000 0.789 267 A HN 1.131 nan 8.150 nan 0.000 0.465 268 A N -1.723 121.049 122.820 -0.081 0.000 2.275 268 A HA 0.328 5.396 4.320 1.246 0.000 0.212 268 A C 0.585 178.102 177.584 -0.112 0.000 1.201 268 A CA -0.477 51.431 52.037 -0.215 0.000 0.843 268 A CB -0.536 18.084 19.000 -0.634 0.000 0.873 268 A HN 0.498 nan 8.150 nan 0.000 0.492 269 Y N 0.884 121.093 120.300 -0.152 0.000 2.810 269 Y HA 0.255 5.554 4.550 1.248 0.000 0.332 269 Y C -0.282 175.521 175.900 -0.162 0.000 1.243 269 Y CA 0.189 58.207 58.100 -0.136 0.000 1.537 269 Y CB -0.002 38.398 38.460 -0.100 0.000 1.265 269 Y HN 0.221 nan 8.280 nan 0.000 0.572 270 I N 9.571 129.633 120.570 -0.847 0.000 2.497 270 I HA 0.259 5.176 4.170 1.246 0.000 0.284 270 I C -2.369 173.146 176.117 -1.005 0.000 1.060 270 I CA -2.167 58.626 61.300 -0.844 0.000 1.071 270 I CB 2.146 39.708 38.000 -0.730 0.000 1.216 270 I HN 0.510 nan 8.210 nan 0.000 0.442 271 P HA 0.150 nan 4.420 nan 0.000 0.274 271 P C -0.570 176.566 177.300 -0.273 0.000 1.237 271 P CA -0.121 62.640 63.100 -0.564 0.000 0.793 271 P CB 0.604 32.173 31.700 -0.219 0.000 0.977 272 F N 0.167 120.114 119.950 -0.006 0.000 2.563 272 F HA 0.309 5.584 4.527 1.246 0.000 0.363 272 F C 2.010 177.811 175.800 0.003 0.000 1.123 272 F CA 1.883 59.892 58.000 0.016 0.000 1.307 272 F CB -0.204 38.810 39.000 0.024 0.000 1.115 272 F HN 0.695 nan 8.300 nan 0.000 0.592 273 G N 1.144 110.053 108.800 0.181 0.000 2.176 273 G HA2 -0.196 4.511 3.960 1.246 0.000 0.232 273 G HA3 -0.196 4.511 3.960 1.246 0.000 0.232 273 G C -0.205 174.729 174.900 0.057 0.000 0.986 273 G CA -0.316 44.841 45.100 0.096 0.000 0.643 273 G HN 0.573 nan 8.290 nan 0.000 0.522 274 E N -0.483 119.748 120.200 0.052 0.000 2.336 274 E HA 0.616 5.714 4.350 1.246 0.000 0.267 274 E C 0.204 176.883 176.600 0.133 0.000 0.906 274 E CA -0.408 56.013 56.400 0.035 0.000 0.781 274 E CB 2.283 31.950 29.700 -0.055 0.000 1.261 274 E HN 1.564 nan 8.360 nan 0.000 0.436 275 G N 1.492 110.373 108.800 0.136 0.000 2.742 275 G HA2 -0.113 4.595 3.960 1.246 0.000 0.686 275 G HA3 -0.113 4.595 3.960 1.246 0.000 0.686 275 G C -0.493 174.564 174.900 0.262 0.000 1.220 275 G CA -0.564 44.720 45.100 0.307 0.000 0.783 275 G HN 0.553 nan 8.290 nan 0.000 0.646 276 D N 0.045 120.610 120.400 0.275 0.000 2.490 276 D HA 0.276 5.664 4.640 1.246 0.000 0.244 276 D C 0.677 176.784 176.300 -0.322 0.000 0.979 276 D CA 1.321 55.329 54.000 0.014 0.000 0.924 276 D CB 0.417 41.421 40.800 0.341 0.000 1.075 276 D HN 0.330 nan 8.370 nan 0.000 0.488 277 F N -1.198 118.932 119.950 0.300 0.000 2.715 277 F HA 0.328 5.618 4.527 1.272 0.000 0.318 277 F C -1.063 174.339 175.800 -0.662 0.000 1.141 277 F CA -1.332 56.638 58.000 -0.049 0.000 0.950 277 F CB 1.568 40.404 39.000 -0.273 0.000 1.374 277 F HN -0.303 nan 8.300 nan 0.000 0.477 278 Y N 1.708 121.433 120.300 -0.958 0.000 2.369 278 Y HA 0.507 5.802 4.550 1.242 0.000 0.337 278 Y C -1.244 174.437 175.900 -0.365 0.000 0.961 278 Y CA -0.984 56.587 58.100 -0.882 0.000 1.186 278 Y CB 0.355 38.039 38.460 -1.292 0.000 1.139 278 Y HN 0.405 nan 8.280 nan 0.000 0.494 279 Y N 4.296 124.410 120.300 -0.309 0.000 2.299 279 Y HA 0.199 5.487 4.550 1.230 0.000 0.326 279 Y C 0.335 176.206 175.900 -0.047 0.000 1.164 279 Y CA -0.441 57.632 58.100 -0.046 0.000 1.234 279 Y CB 0.601 39.142 38.460 0.136 0.000 1.219 279 Y HN 0.571 nan 8.280 nan 0.000 0.497 280 H N 1.620 120.830 119.070 0.233 0.000 2.562 280 H HA 0.374 5.667 4.556 1.228 0.000 0.314 280 H C 0.292 175.749 175.328 0.216 0.000 1.079 280 H CA -0.269 55.902 56.048 0.205 0.000 1.349 280 H CB 1.326 31.235 29.762 0.246 0.000 1.432 280 H HN 0.979 nan 8.280 nan 0.000 0.479 281 A N 4.133 127.141 122.820 0.314 0.000 2.206 281 A HA 0.013 5.081 4.320 1.246 0.000 0.211 281 A C 2.153 179.804 177.584 0.112 0.000 1.158 281 A CA 0.896 53.065 52.037 0.220 0.000 0.761 281 A CB -0.369 18.745 19.000 0.190 0.000 0.801 281 A HN 0.804 nan 8.150 nan 0.000 0.473 282 A N -0.463 122.164 122.820 -0.323 0.000 2.067 282 A HA 0.295 5.362 4.320 1.246 0.000 0.219 282 A C 0.774 178.247 177.584 -0.185 0.000 1.158 282 A CA 0.792 52.564 52.037 -0.441 0.000 0.661 282 A CB -0.246 18.137 19.000 -1.028 0.000 0.801 282 A HN 0.455 nan 8.150 nan 0.000 0.452 283 I N -0.623 119.947 120.570 0.000 0.000 2.610 283 I HA 0.490 5.408 4.170 1.246 0.000 0.289 283 I C -1.266 175.093 176.117 0.402 0.000 1.163 283 I CA -0.678 60.713 61.300 0.152 0.000 1.044 283 I CB 2.138 40.244 38.000 0.176 0.000 1.251 283 I HN 0.291 nan 8.210 nan 0.000 0.424 284 F N 3.673 123.808 119.950 0.309 0.000 2.678 284 F HA 0.956 6.226 4.527 1.238 0.000 0.308 284 F C -0.343 175.578 175.800 0.202 0.000 1.118 284 F CA -0.536 57.637 58.000 0.288 0.000 0.959 284 F CB 1.454 40.594 39.000 0.232 0.000 1.305 284 F HN 0.545 nan 8.300 nan 0.000 0.443 285 G N -0.331 108.549 108.800 0.133 0.000 2.650 285 G HA2 0.848 5.556 3.960 1.246 0.000 0.310 285 G HA3 0.848 5.556 3.960 1.246 0.000 0.310 285 G C -0.719 174.087 174.900 -0.157 0.000 1.270 285 G CA -0.289 44.614 45.100 -0.327 0.000 0.810 285 G HN 2.129 nan 8.290 nan 0.000 0.493 286 G N -1.787 106.881 108.800 -0.220 0.000 2.339 286 G HA2 0.556 5.264 3.960 1.246 0.000 0.275 286 G HA3 0.556 5.264 3.960 1.246 0.000 0.275 286 G C 0.031 174.978 174.900 0.078 0.000 1.323 286 G CA 0.837 45.948 45.100 0.019 0.000 0.927 286 G HN 1.938 nan 8.290 nan 0.000 0.486 287 T N -0.792 113.785 114.554 0.038 0.000 2.813 287 T HA 0.521 5.619 4.350 1.246 0.000 0.297 287 T C -1.301 173.338 174.700 -0.101 0.000 1.036 287 T CA -0.320 61.689 62.100 -0.151 0.000 1.044 287 T CB 1.634 70.377 68.868 -0.208 0.000 0.993 287 T HN 0.214 nan 8.240 nan 0.000 0.535 288 P HA -0.055 nan 4.420 nan 0.000 0.218 288 P C 1.613 178.852 177.300 -0.102 0.000 1.148 288 P CA 1.041 64.070 63.100 -0.118 0.000 0.822 288 P CB -0.196 31.416 31.700 -0.147 0.000 0.784 289 T N -0.620 113.877 114.554 -0.096 0.000 2.708 289 T HA -0.162 4.936 4.350 1.246 0.000 0.266 289 T C 1.810 176.487 174.700 -0.039 0.000 1.037 289 T CA 1.204 63.262 62.100 -0.069 0.000 1.146 289 T CB -0.617 68.217 68.868 -0.057 0.000 0.865 289 T HN 0.137 nan 8.240 nan 0.000 0.435 290 Q N 0.576 120.365 119.800 -0.018 0.000 2.046 290 Q HA 0.001 5.089 4.340 1.246 0.000 0.200 290 Q C 2.682 178.675 176.000 -0.012 0.000 0.975 290 Q CA 0.920 56.735 55.803 0.020 0.000 0.836 290 Q CB -0.980 27.796 28.738 0.063 0.000 0.896 290 Q HN 0.397 nan 8.270 nan 0.000 0.428 291 V N 1.455 121.361 119.914 -0.013 0.000 2.407 291 V HA -0.227 4.640 4.120 1.246 0.000 0.248 291 V C 2.341 178.403 176.094 -0.054 0.000 1.055 291 V CA 1.346 63.646 62.300 0.001 0.000 1.049 291 V CB -0.682 31.154 31.823 0.021 0.000 0.662 291 V HN 0.219 nan 8.190 nan 0.000 0.455 292 L N 0.930 122.111 121.223 -0.070 0.000 2.046 292 L HA -0.157 4.931 4.340 1.246 0.000 0.208 292 L C 2.070 178.882 176.870 -0.095 0.000 1.077 292 L CA 2.299 57.087 54.840 -0.086 0.000 0.747 292 L CB -0.983 41.023 42.059 -0.088 0.000 0.896 292 L HN 0.379 nan 8.230 nan 0.000 0.432 293 N N -0.488 118.162 118.700 -0.083 0.000 2.142 293 N HA -0.141 5.347 4.740 1.246 0.000 0.186 293 N C 1.818 177.189 175.510 -0.232 0.000 1.023 293 N CA 1.686 54.699 53.050 -0.062 0.000 0.852 293 N CB -0.209 38.306 38.487 0.045 0.000 0.998 293 N HN 0.461 nan 8.380 nan 0.000 0.424 294 I N -0.005 120.281 120.570 -0.473 0.000 2.127 294 I HA -0.315 4.603 4.170 1.246 0.000 0.241 294 I C 2.202 177.922 176.117 -0.661 0.000 1.075 294 I CA 1.741 62.397 61.300 -1.074 0.000 1.334 294 I CB -0.828 36.639 38.000 -0.889 0.000 1.040 294 I HN 0.379 nan 8.210 nan 0.000 0.405 295 T N -1.730 112.623 114.554 -0.335 0.000 2.821 295 T HA -0.200 4.898 4.350 1.246 0.000 0.267 295 T C 1.796 176.421 174.700 -0.125 0.000 1.046 295 T CA 1.060 63.044 62.100 -0.192 0.000 1.139 295 T CB -0.380 68.444 68.868 -0.073 0.000 0.871 295 T HN 0.393 nan 8.240 nan 0.000 0.454 296 Q N 0.249 119.982 119.800 -0.111 0.000 2.079 296 Q HA -0.069 5.019 4.340 1.246 0.000 0.200 296 Q C 2.614 178.604 176.000 -0.018 0.000 0.974 296 Q CA 1.163 56.944 55.803 -0.036 0.000 0.840 296 Q CB -0.016 28.700 28.738 -0.036 0.000 0.898 296 Q HN 0.499 nan 8.270 nan 0.000 0.430 297 E N 0.020 120.193 120.200 -0.046 0.000 2.106 297 E HA -0.146 4.952 4.350 1.246 0.000 0.192 297 E C 2.079 178.658 176.600 -0.035 0.000 0.984 297 E CA 0.676 57.083 56.400 0.012 0.000 0.806 297 E CB -0.308 29.502 29.700 0.184 0.000 0.750 297 E HN 0.359 nan 8.360 nan 0.000 0.458 298 C N 0.391 119.624 119.300 -0.113 0.000 2.429 298 C HA -0.108 5.100 4.460 1.246 0.000 0.277 298 C C 2.473 177.363 174.990 -0.166 0.000 1.262 298 C CA 0.288 59.224 59.018 -0.136 0.000 1.733 298 C CB -1.182 26.440 27.740 -0.197 0.000 2.010 298 C HN 0.319 nan 8.230 nan 0.000 0.483 299 F N 1.726 121.541 119.950 -0.226 0.000 2.293 299 F HA -0.043 5.231 4.527 1.245 0.000 0.300 299 F C 2.221 177.901 175.800 -0.200 0.000 1.086 299 F CA 1.403 59.275 58.000 -0.214 0.000 1.375 299 F CB -0.398 38.509 39.000 -0.155 0.000 1.045 299 F HN 0.170 nan 8.300 nan 0.000 0.516 300 K N -0.545 119.756 120.400 -0.165 0.000 2.097 300 K HA -0.072 4.995 4.320 1.246 0.000 0.205 300 K C 2.374 178.822 176.600 -0.254 0.000 1.050 300 K CA 1.127 57.297 56.287 -0.194 0.000 0.938 300 K CB -0.783 31.668 32.500 -0.082 0.000 0.718 300 K HN 0.378 nan 8.250 nan 0.000 0.442 301 G N 1.188 109.831 108.800 -0.261 0.000 2.408 301 G HA2 -0.200 4.508 3.960 1.246 0.000 0.217 301 G HA3 -0.200 4.508 3.960 1.246 0.000 0.217 301 G C 1.478 176.109 174.900 -0.449 0.000 1.150 301 G CA 0.505 45.464 45.100 -0.236 0.000 0.776 301 G HN 0.125 nan 8.290 nan 0.000 0.542 302 I N 0.361 120.460 120.570 -0.784 0.000 2.226 302 I HA -0.135 4.783 4.170 1.246 0.000 0.245 302 I C 2.656 178.492 176.117 -0.468 0.000 1.100 302 I CA 0.777 61.680 61.300 -0.661 0.000 1.374 302 I CB -0.172 37.456 38.000 -0.620 0.000 1.057 302 I HN 0.120 nan 8.210 nan 0.000 0.413 303 L N 0.433 121.304 121.223 -0.586 0.000 2.109 303 L HA -0.190 4.898 4.340 1.246 0.000 0.207 303 L C 2.604 179.324 176.870 -0.251 0.000 1.086 303 L CA 1.196 55.770 54.840 -0.443 0.000 0.760 303 L CB -0.521 41.243 42.059 -0.491 0.000 0.910 303 L HN 0.226 nan 8.230 nan 0.000 0.437 304 K N 0.342 120.615 120.400 -0.211 0.000 2.057 304 K HA -0.208 4.859 4.320 1.246 0.000 0.207 304 K C 1.636 178.180 176.600 -0.093 0.000 1.049 304 K CA 1.796 58.008 56.287 -0.124 0.000 0.931 304 K CB 0.041 32.487 32.500 -0.090 0.000 0.714 304 K HN 0.154 nan 8.250 nan 0.000 0.440 305 D N 0.722 121.074 120.400 -0.080 0.000 2.123 305 D HA -0.135 5.253 4.640 1.246 0.000 0.196 305 D C 1.658 177.916 176.300 -0.069 0.000 0.992 305 D CA 1.228 55.201 54.000 -0.044 0.000 0.833 305 D CB 0.034 40.843 40.800 0.015 0.000 0.954 305 D HN 0.247 nan 8.370 nan 0.000 0.455 306 K N 0.268 120.606 120.400 -0.103 0.000 2.147 306 K HA -0.088 4.980 4.320 1.246 0.000 0.205 306 K C 1.820 178.371 176.600 -0.081 0.000 1.049 306 K CA 0.763 56.992 56.287 -0.097 0.000 0.936 306 K CB 0.147 32.573 32.500 -0.124 0.000 0.722 306 K HN 0.005 nan 8.250 nan 0.000 0.446 307 K N 0.543 120.893 120.400 -0.084 0.000 2.288 307 K HA -0.005 5.063 4.320 1.246 0.000 0.201 307 K C 0.957 177.522 176.600 -0.058 0.000 1.048 307 K CA 0.741 56.986 56.287 -0.069 0.000 0.956 307 K CB 0.025 32.483 32.500 -0.070 0.000 0.746 307 K HN 0.143 nan 8.250 nan 0.000 0.461 308 N N 1.559 120.224 118.700 -0.058 0.000 2.251 308 N HA -0.054 5.434 4.740 1.246 0.000 0.217 308 N C -0.627 174.853 175.510 -0.050 0.000 1.124 308 N CA 0.082 53.101 53.050 -0.051 0.000 0.843 308 N CB 0.308 38.766 38.487 -0.050 0.000 1.024 308 N HN 0.067 nan 8.380 nan 0.000 0.501 309 D N 1.040 121.409 120.400 -0.052 0.000 2.697 309 D HA -0.209 5.179 4.640 1.246 0.000 0.238 309 D C -0.665 175.605 176.300 -0.051 0.000 1.152 309 D CA 0.616 54.586 54.000 -0.050 0.000 0.666 309 D CB -1.172 39.601 40.800 -0.045 0.000 1.037 309 D HN 0.458 nan 8.370 nan 0.000 0.423 310 I N -0.154 120.385 120.570 -0.052 0.000 2.827 310 I HA 0.435 5.353 4.170 1.246 0.000 0.298 310 I C -1.266 174.822 176.117 -0.049 0.000 1.235 310 I CA -0.843 60.425 61.300 -0.052 0.000 1.021 310 I CB 1.957 39.926 38.000 -0.050 0.000 1.259 310 I HN 0.019 nan 8.210 nan 0.000 0.427 311 E N 5.578 125.742 120.200 -0.061 0.000 2.241 311 E HA 0.636 5.734 4.350 1.246 0.000 0.263 311 E C -0.806 175.728 176.600 -0.111 0.000 0.882 311 E CA -0.764 55.601 56.400 -0.059 0.000 0.769 311 E CB 1.857 31.518 29.700 -0.065 0.000 1.185 311 E HN 0.774 nan 8.360 nan 0.000 0.415 312 A N 3.776 126.540 122.820 -0.093 0.000 2.587 312 A HA -0.113 4.955 4.320 1.246 0.000 0.233 312 A C 1.159 178.544 177.584 -0.331 0.000 1.049 312 A CA 0.564 52.493 52.037 -0.180 0.000 0.754 312 A CB 0.475 19.340 19.000 -0.226 0.000 0.977 312 A HN 0.980 nan 8.150 nan 0.000 0.509 313 Q N 1.045 120.673 119.800 -0.287 0.000 2.096 313 Q HA -0.199 4.888 4.340 1.246 0.000 0.208 313 Q C 0.188 175.706 176.000 -0.804 0.000 0.993 313 Q CA 2.231 57.755 55.803 -0.466 0.000 0.862 313 Q CB -0.061 28.504 28.738 -0.288 0.000 0.915 313 Q HN 0.877 nan 8.270 nan 0.000 0.416 314 W N -0.187 120.974 121.300 -0.231 0.000 2.390 314 W HA 0.234 5.649 4.660 1.259 0.000 0.397 314 W C -0.134 176.362 176.519 -0.039 0.000 0.839 314 W CA -0.288 56.994 57.345 -0.104 0.000 2.576 314 W CB 0.133 29.670 29.460 0.128 0.000 1.346 314 W HN 0.370 nan 8.180 nan 0.000 0.708 315 H N -0.417 118.754 119.070 0.168 0.000 1.452 315 H HA -0.379 4.923 4.556 1.244 0.000 0.090 315 H C 2.031 177.501 175.328 0.237 0.000 1.472 315 H CA 1.813 57.950 56.048 0.148 0.000 1.901 315 H CB -0.807 29.014 29.762 0.097 0.000 2.257 315 H HN 0.218 nan 8.280 nan 0.000 0.961 316 E N 1.844 122.254 120.200 0.351 0.000 2.267 316 E HA -0.247 4.851 4.350 1.246 0.000 0.197 316 E C 1.791 178.504 176.600 0.188 0.000 0.998 316 E CA 1.909 58.457 56.400 0.247 0.000 0.830 316 E CB -0.331 29.439 29.700 0.117 0.000 0.751 316 E HN 0.767 nan 8.360 nan 0.000 0.491 317 E N 0.703 121.043 120.200 0.232 0.000 2.106 317 E HA -0.106 4.992 4.350 1.246 0.000 0.192 317 E C 1.856 178.530 176.600 0.122 0.000 0.984 317 E CA 1.240 57.749 56.400 0.181 0.000 0.806 317 E CB 0.105 29.975 29.700 0.283 0.000 0.750 317 E HN 0.241 nan 8.360 nan 0.000 0.458 318 S N -0.089 115.700 115.700 0.149 0.000 2.383 318 S HA -0.138 5.080 4.470 1.246 0.000 0.227 318 S C 1.687 176.225 174.600 -0.104 0.000 1.026 318 S CA 0.834 59.057 58.200 0.038 0.000 0.981 318 S CB -0.340 62.834 63.200 -0.044 0.000 0.818 318 S HN 0.435 nan 8.310 nan 0.000 0.472 319 H N 0.323 119.393 119.070 -0.000 0.000 2.395 319 H HA 0.076 5.379 4.556 1.245 0.000 0.299 319 H C 2.190 177.460 175.328 -0.098 0.000 1.070 319 H CA 1.022 57.040 56.048 -0.049 0.000 1.356 319 H CB -0.432 29.296 29.762 -0.057 0.000 1.401 319 H HN 0.233 nan 8.280 nan 0.000 0.524 320 L N 1.355 122.559 121.223 -0.032 0.000 2.046 320 L HA -0.122 4.966 4.340 1.246 0.000 0.208 320 L C 1.895 178.701 176.870 -0.106 0.000 1.077 320 L CA 1.405 56.109 54.840 -0.227 0.000 0.747 320 L CB -0.567 41.325 42.059 -0.278 0.000 0.896 320 L HN 0.117 nan 8.230 nan 0.000 0.432 321 N N -0.244 118.466 118.700 0.016 0.000 2.188 321 N HA -0.216 5.271 4.740 1.246 0.000 0.184 321 N C 1.829 177.344 175.510 0.008 0.000 1.018 321 N CA 1.200 54.324 53.050 0.123 0.000 0.858 321 N CB -0.029 38.470 38.487 0.020 0.000 0.989 321 N HN 0.247 nan 8.380 nan 0.000 0.426 322 K N 0.914 121.260 120.400 -0.090 0.000 2.057 322 K HA -0.154 4.913 4.320 1.246 0.000 0.207 322 K C 2.004 178.555 176.600 -0.082 0.000 1.049 322 K CA 1.051 57.260 56.287 -0.131 0.000 0.931 322 K CB -0.783 31.652 32.500 -0.109 0.000 0.714 322 K HN 0.180 nan 8.250 nan 0.000 0.440 323 Y N -0.102 120.091 120.300 -0.178 0.000 2.145 323 Y HA -0.145 5.152 4.550 1.244 0.000 0.286 323 Y C 1.635 177.427 175.900 -0.179 0.000 1.145 323 Y CA 2.014 59.970 58.100 -0.241 0.000 1.148 323 Y CB -0.406 37.801 38.460 -0.422 0.000 0.981 323 Y HN 0.108 nan 8.280 nan 0.000 0.507 324 F N -1.178 118.803 119.950 0.051 0.000 2.451 324 F HA -0.152 5.126 4.527 1.252 0.000 0.299 324 F C 1.996 177.744 175.800 -0.087 0.000 1.101 324 F CA 0.102 58.065 58.000 -0.062 0.000 1.436 324 F CB -0.016 38.849 39.000 -0.226 0.000 1.074 324 F HN 0.218 nan 8.300 nan 0.000 0.553 325 L N 0.121 121.395 121.223 0.084 0.000 2.095 325 L HA -0.095 4.992 4.340 1.246 0.000 0.204 325 L C 1.854 178.633 176.870 -0.152 0.000 1.080 325 L CA 1.704 56.531 54.840 -0.022 0.000 0.759 325 L CB -0.538 41.466 42.059 -0.092 0.000 0.914 325 L HN 0.059 nan 8.230 nan 0.000 0.439 326 L N -0.559 120.537 121.223 -0.213 0.000 2.131 326 L HA -0.010 5.078 4.340 1.246 0.000 0.206 326 L C 0.246 176.927 176.870 -0.316 0.000 1.087 326 L CA 0.531 55.214 54.840 -0.261 0.000 0.767 326 L CB -0.382 41.504 42.059 -0.289 0.000 0.917 326 L HN 0.298 nan 8.230 nan 0.000 0.441 327 N N 1.253 119.706 118.700 -0.411 0.000 2.776 327 N HA 0.136 5.623 4.740 1.246 0.000 0.245 327 N C -0.839 174.569 175.510 -0.169 0.000 1.121 327 N CA -0.316 52.527 53.050 -0.345 0.000 0.852 327 N CB 1.066 39.211 38.487 -0.571 0.000 1.142 327 N HN 0.010 nan 8.380 nan 0.000 0.514 328 K N 2.056 122.264 120.400 -0.320 0.000 2.491 328 K HA 0.064 5.132 4.320 1.246 0.000 0.279 328 K C -1.992 174.513 176.600 -0.158 0.000 1.026 328 K CA -0.833 55.140 56.287 -0.523 0.000 1.070 328 K CB 0.063 31.738 32.500 -1.376 0.000 0.887 328 K HN 0.345 nan 8.250 nan 0.000 0.481 329 P HA 0.009 nan 4.420 nan 0.000 0.271 329 P C 0.567 177.984 177.300 0.195 0.000 1.218 329 P CA -0.095 62.973 63.100 -0.054 0.000 0.780 329 P CB 0.480 31.832 31.700 -0.581 0.000 0.901 330 T N -1.220 113.421 114.554 0.144 0.000 3.113 330 T HA 0.068 5.165 4.350 1.246 0.000 0.256 330 T C 0.542 175.306 174.700 0.107 0.000 1.131 330 T CA 0.504 62.710 62.100 0.175 0.000 1.074 330 T CB 0.009 68.963 68.868 0.143 0.000 0.944 330 T HN 0.496 nan 8.240 nan 0.000 0.516 331 K N 0.220 120.644 120.400 0.040 0.000 2.557 331 K HA 0.588 5.656 4.320 1.246 0.000 0.257 331 K C -2.009 174.539 176.600 -0.087 0.000 0.933 331 K CA -0.894 55.374 56.287 -0.031 0.000 0.820 331 K CB 1.829 34.307 32.500 -0.037 0.000 1.330 331 K HN 0.169 nan 8.250 nan 0.000 0.432 332 I N 4.878 125.373 120.570 -0.124 0.000 2.569 332 I HA 0.377 5.295 4.170 1.246 0.000 0.296 332 I C -0.530 175.463 176.117 -0.205 0.000 1.028 332 I CA -1.157 60.054 61.300 -0.148 0.000 1.082 332 I CB 1.794 39.691 38.000 -0.171 0.000 1.264 332 I HN 0.432 nan 8.210 nan 0.000 0.429 333 L N 4.093 125.190 121.223 -0.209 0.000 2.322 333 L HA 0.404 5.492 4.340 1.246 0.000 0.279 333 L C 0.607 177.298 176.870 -0.298 0.000 1.036 333 L CA -0.510 54.123 54.840 -0.345 0.000 0.807 333 L CB 1.783 43.588 42.059 -0.423 0.000 1.226 333 L HN 0.694 nan 8.230 nan 0.000 0.433 334 S N 2.176 117.627 115.700 -0.415 0.000 2.600 334 S HA 0.232 5.450 4.470 1.246 0.000 0.265 334 S C -1.907 172.430 174.600 -0.438 0.000 1.325 334 S CA -0.933 56.770 58.200 -0.828 0.000 1.002 334 S CB 1.000 63.289 63.200 -1.519 0.000 0.921 334 S HN 0.422 nan 8.310 nan 0.000 0.554 335 P HA -0.027 nan 4.420 nan 0.000 0.226 335 P C 0.685 177.954 177.300 -0.051 0.000 1.146 335 P CA 0.996 64.013 63.100 -0.139 0.000 0.773 335 P CB -0.075 31.526 31.700 -0.165 0.000 0.772 336 E N -2.091 117.940 120.200 -0.282 0.000 2.268 336 E HA -0.165 4.933 4.350 1.246 0.000 0.195 336 E C 0.850 177.282 176.600 -0.280 0.000 0.995 336 E CA 0.863 57.082 56.400 -0.303 0.000 0.836 336 E CB -0.410 29.084 29.700 -0.343 0.000 0.763 336 E HN 0.454 nan 8.360 nan 0.000 0.491 337 Y N -1.247 118.971 120.300 -0.136 0.000 2.490 337 Y HA 0.138 4.572 4.550 -0.194 0.000 0.281 337 Y C 0.569 176.522 175.900 0.089 0.000 1.174 337 Y CA -0.084 57.958 58.100 -0.096 0.000 1.295 337 Y CB 0.871 39.180 38.460 -0.251 0.000 1.062 337 Y HN -0.016 nan 8.280 nan 0.000 0.522 338 C N 1.300 120.763 119.300 0.271 0.000 3.096 338 C HA 0.141 5.348 4.460 1.246 0.000 0.329 338 C C -0.867 174.416 174.990 0.488 0.000 0.912 338 C CA -1.141 58.111 59.018 0.391 0.000 1.168 338 C CB -1.193 26.810 27.740 0.438 0.000 1.627 338 C HN 0.532 nan 8.230 nan 0.000 0.622 339 W N 3.450 124.768 121.300 0.029 0.000 2.438 339 W HA 0.485 5.861 4.660 1.193 0.000 0.324 339 W C -0.829 175.352 176.519 -0.562 0.000 1.119 339 W CA 0.123 57.294 57.345 -0.290 0.000 1.221 339 W CB 1.296 30.477 29.460 -0.464 0.000 1.253 339 W HN 0.598 nan 8.180 nan 0.000 0.555 340 D N 4.108 123.361 120.400 -1.911 0.000 2.427 340 D HA 0.113 5.501 4.640 1.246 0.000 0.226 340 D C 0.341 175.811 176.300 -1.383 0.000 1.076 340 D CA -0.367 52.626 54.000 -1.679 0.000 0.849 340 D CB 0.325 39.855 40.800 -2.117 0.000 1.052 340 D HN 0.346 nan 8.370 nan 0.000 0.515 341 Y N 1.598 121.545 120.300 -0.589 0.000 2.569 341 Y HA -0.163 5.151 4.550 1.274 0.000 0.293 341 Y C 1.575 177.257 175.900 -0.364 0.000 1.144 341 Y CA 0.733 58.647 58.100 -0.309 0.000 1.321 341 Y CB 0.004 38.385 38.460 -0.132 0.000 0.982 341 Y HN 0.624 nan 8.280 nan 0.000 0.558 342 H N -0.859 118.101 119.070 -0.184 0.000 2.518 342 H HA -0.119 5.182 4.556 1.243 0.000 0.289 342 H C 1.896 177.107 175.328 -0.195 0.000 1.051 342 H CA 1.494 57.491 56.048 -0.085 0.000 1.280 342 H CB -0.167 29.628 29.762 0.056 0.000 1.380 342 H HN 0.396 nan 8.280 nan 0.000 0.566 343 I N -0.665 119.618 120.570 -0.479 0.000 2.876 343 I HA 0.055 4.973 4.170 1.246 0.000 0.264 343 I C 1.408 177.422 176.117 -0.172 0.000 1.204 343 I CA 0.549 61.463 61.300 -0.643 0.000 1.485 343 I CB 0.006 37.290 38.000 -1.194 0.000 1.103 343 I HN 0.474 nan 8.210 nan 0.000 0.446 344 G N 1.354 110.148 108.800 -0.010 0.000 2.472 344 G HA2 -0.156 4.552 3.960 1.246 0.000 0.205 344 G HA3 -0.156 4.552 3.960 1.246 0.000 0.205 344 G C -1.165 173.953 174.900 0.362 0.000 1.270 344 G CA -0.523 44.659 45.100 0.137 0.000 0.974 344 G HN 0.051 nan 8.290 nan 0.000 0.542 345 L N 2.411 123.780 121.223 0.245 0.000 2.492 345 L HA 0.622 5.709 4.340 1.246 0.000 0.258 345 L C -1.546 175.343 176.870 0.033 0.000 1.028 345 L CA -1.213 53.730 54.840 0.173 0.000 0.900 345 L CB 1.093 43.244 42.059 0.153 0.000 1.191 345 L HN 0.742 nan 8.230 nan 0.000 0.459 346 P HA 0.324 nan 4.420 nan 0.000 0.277 346 P C 0.537 177.796 177.300 -0.068 0.000 1.271 346 P CA -0.293 62.803 63.100 -0.007 0.000 0.795 346 P CB 1.124 32.860 31.700 0.059 0.000 1.101 347 A N 0.493 123.291 122.820 -0.036 0.000 1.978 347 A HA -0.192 4.876 4.320 1.246 0.000 0.220 347 A C 1.725 179.271 177.584 -0.063 0.000 1.170 347 A CA 1.889 53.896 52.037 -0.049 0.000 0.636 347 A CB -1.044 17.934 19.000 -0.035 0.000 0.810 347 A HN 0.532 nan 8.150 nan 0.000 0.448 348 D N -0.253 120.126 120.400 -0.035 0.000 2.219 348 D HA -0.035 5.353 4.640 1.246 0.000 0.205 348 D C 0.421 176.722 176.300 0.002 0.000 0.970 348 D CA 0.592 54.586 54.000 -0.010 0.000 0.851 348 D CB -0.090 40.800 40.800 0.149 0.000 0.943 348 D HN 0.290 nan 8.370 nan 0.000 0.488 349 I N 2.094 122.547 120.570 -0.194 0.000 2.241 349 I HA 0.042 4.960 4.170 1.246 0.000 0.294 349 I C 1.316 177.287 176.117 -0.243 0.000 1.145 349 I CA -0.158 60.920 61.300 -0.369 0.000 1.261 349 I CB 0.647 38.069 38.000 -0.964 0.000 1.475 349 I HN -0.235 nan 8.210 nan 0.000 0.533 350 K N 3.522 123.852 120.400 -0.117 0.000 2.103 350 K HA 0.078 5.146 4.320 1.246 0.000 0.204 350 K C 0.376 176.921 176.600 -0.092 0.000 1.052 350 K CA 0.779 57.015 56.287 -0.085 0.000 0.945 350 K CB 0.292 32.771 32.500 -0.036 0.000 0.722 350 K HN 0.352 nan 8.250 nan 0.000 0.443 351 L N 0.592 121.745 121.223 -0.117 0.000 2.611 351 L HA 0.233 5.321 4.340 1.246 0.000 0.263 351 L C -1.370 175.392 176.870 -0.180 0.000 0.969 351 L CA -0.493 54.281 54.840 -0.111 0.000 0.894 351 L CB 1.835 43.854 42.059 -0.066 0.000 1.229 351 L HN -0.280 nan 8.230 nan 0.000 0.416 352 V N 6.004 125.825 119.914 -0.155 0.000 2.521 352 V HA 0.173 5.041 4.120 1.246 0.000 0.286 352 V C 0.912 176.921 176.094 -0.141 0.000 1.034 352 V CA -0.049 62.151 62.300 -0.166 0.000 1.045 352 V CB 0.905 32.681 31.823 -0.078 0.000 0.974 352 V HN 0.759 nan 8.190 nan 0.000 0.480 353 K N 3.715 123.985 120.400 -0.216 0.000 2.308 353 K HA 0.386 5.453 4.320 1.246 0.000 0.197 353 K C 0.153 176.771 176.600 0.029 0.000 1.049 353 K CA 0.855 57.058 56.287 -0.140 0.000 0.991 353 K CB 0.322 32.626 32.500 -0.328 0.000 0.836 353 K HN 0.571 nan 8.250 nan 0.000 0.500 354 M N -0.185 119.426 119.600 0.019 0.000 2.465 354 M HA 0.256 5.484 4.480 1.246 0.000 0.284 354 M C -1.438 174.922 176.300 0.100 0.000 1.212 354 M CA -0.660 54.655 55.300 0.024 0.000 0.910 354 M CB 2.746 35.308 32.600 -0.062 0.000 1.725 354 M HN -0.018 nan 8.290 nan 0.000 0.477 355 S N 0.224 116.010 115.700 0.143 0.000 2.548 355 S HA 0.734 5.952 4.470 1.246 0.000 0.286 355 S C -1.587 173.212 174.600 0.332 0.000 1.098 355 S CA -0.812 57.506 58.200 0.196 0.000 0.930 355 S CB 1.261 64.589 63.200 0.214 0.000 1.070 355 S HN 0.582 nan 8.310 nan 0.000 0.480 356 W N 1.814 123.141 121.300 0.044 0.000 2.170 356 W HA 0.367 5.747 4.660 1.200 0.000 0.336 356 W C 0.864 177.448 176.519 0.109 0.000 1.283 356 W CA -0.661 56.731 57.345 0.078 0.000 1.224 356 W CB 0.134 29.655 29.460 0.101 0.000 1.132 356 W HN 0.574 nan 8.180 nan 0.000 0.571 357 Q N 1.248 121.218 119.800 0.282 0.000 2.259 357 Q HA 0.215 5.303 4.340 1.246 0.000 0.246 357 Q C 0.079 176.237 176.000 0.264 0.000 0.920 357 Q CA -0.210 55.727 55.803 0.224 0.000 0.895 357 Q CB 1.111 29.882 28.738 0.054 0.000 1.220 357 Q HN 0.329 nan 8.270 nan 0.000 0.439 358 T N 3.239 117.974 114.554 0.301 0.000 2.940 358 T HA 0.046 5.144 4.350 1.246 0.000 0.309 358 T C 0.293 175.050 174.700 0.095 0.000 1.056 358 T CA -0.255 62.000 62.100 0.258 0.000 1.137 358 T CB 0.343 69.384 68.868 0.288 0.000 0.976 358 T HN 0.082 nan 8.240 nan 0.000 0.547 359 K N 3.440 123.793 120.400 -0.078 0.000 2.401 359 K HA 0.151 5.219 4.320 1.246 0.000 0.278 359 K C 0.517 176.961 176.600 -0.259 0.000 1.018 359 K CA 0.163 56.267 56.287 -0.305 0.000 0.981 359 K CB 0.469 32.549 32.500 -0.699 0.000 0.933 359 K HN 0.678 nan 8.250 nan 0.000 0.477 360 E N 2.593 122.677 120.200 -0.194 0.000 4.120 360 E HA 0.081 5.178 4.350 1.246 0.000 0.202 360 E C 0.219 176.801 176.600 -0.031 0.000 1.067 360 E CA -0.064 56.287 56.400 -0.082 0.000 1.424 360 E CB 0.165 29.881 29.700 0.026 0.000 1.164 360 E HN 0.534 nan 8.360 nan 0.000 0.439 361 Y N 0.327 120.569 120.300 -0.097 0.000 2.193 361 Y HA -0.298 4.999 4.550 1.244 0.000 0.285 361 Y C 2.471 178.301 175.900 -0.116 0.000 1.166 361 Y CA 0.900 58.911 58.100 -0.148 0.000 1.181 361 Y CB -0.113 38.249 38.460 -0.164 0.000 0.976 361 Y HN 0.288 nan 8.280 nan 0.000 0.520 362 N N 0.291 119.040 118.700 0.082 0.000 2.272 362 N HA -0.153 5.334 4.740 1.246 0.000 0.185 362 N C 1.286 176.804 175.510 0.013 0.000 1.014 362 N CA 1.423 54.498 53.050 0.043 0.000 0.870 362 N CB -0.167 38.339 38.487 0.032 0.000 0.975 362 N HN 0.104 nan 8.380 nan 0.000 0.433 363 V N -0.757 119.144 119.914 -0.021 0.000 2.908 363 V HA 0.010 4.878 4.120 1.246 0.000 0.240 363 V C 1.999 178.010 176.094 -0.137 0.000 1.117 363 V CA 0.977 63.242 62.300 -0.060 0.000 1.133 363 V CB 0.202 31.996 31.823 -0.050 0.000 0.857 363 V HN 0.350 nan 8.190 nan 0.000 0.478 364 V N -1.325 118.448 119.914 -0.236 0.000 3.306 364 V HA 0.199 5.067 4.120 1.246 0.000 0.264 364 V C 0.961 177.057 176.094 0.004 0.000 1.149 364 V CA 0.577 62.706 62.300 -0.286 0.000 1.143 364 V CB -0.678 30.749 31.823 -0.660 0.000 0.767 364 V HN 0.388 nan 8.190 nan 0.000 0.476 365 R N 0.621 121.122 120.500 0.001 0.000 2.637 365 R HA 0.487 5.575 4.340 1.246 0.000 0.291 365 R C -0.643 175.685 176.300 0.047 0.000 0.963 365 R CA -0.229 55.878 56.100 0.012 0.000 0.901 365 R CB 1.250 31.389 30.300 -0.269 0.000 1.160 365 R HN 0.195 nan 8.270 nan 0.000 0.457 366 N N 1.547 120.314 118.700 0.111 0.000 2.401 366 N HA 0.080 5.568 4.740 1.246 0.000 0.264 366 N C -1.564 174.024 175.510 0.130 0.000 1.238 366 N CA -0.322 52.789 53.050 0.101 0.000 0.889 366 N CB 0.299 38.836 38.487 0.083 0.000 1.196 366 N HN 0.616 nan 8.380 nan 0.000 0.511 367 N N -1.642 117.177 118.700 0.198 0.000 2.815 367 N HA 0.186 5.673 4.740 1.246 0.000 0.253 367 N C -0.675 175.023 175.510 0.312 0.000 1.202 367 N CA -0.475 52.698 53.050 0.205 0.000 0.925 367 N CB 1.110 39.693 38.487 0.161 0.000 1.622 367 N HN -0.196 nan 8.380 nan 0.000 0.497 368 V N 0.000 120.040 119.914 0.210 0.000 2.409 368 V HA 0.000 4.868 4.120 1.246 0.000 0.244 368 V CA 0.000 62.443 62.300 0.239 0.000 1.235 368 V CB 0.000 31.987 31.823 0.274 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556