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 2cas_1_A DATA FIRST_RESID 37 DATA SEQUENCE GVGISTGTFN NQTEFKFLEN GWVEITANSS RLVHLNMPES ENYRRVVVNN DATA SEQUENCE MDKTAVNGNM ALDDIHAQIV TPWSLVDANA WGVWFNPGDW QLIVNTMSEL DATA SEQUENCE HLVSFEQEIF NVVLKTVSES ATQPPTKVYN NDLTASLMVA LDSNNTMPFT DATA SEQUENCE PAAMRSETLG FYPWKPTIPT PWRYYFQWDR TLIPSHTGTS GTPTNIYHGT DATA SEQUENCE DPDDVQFYTI ENSVPVHLLR TGDEFATGTF FFDCKPCRLT HTWQTNRALG DATA SEQUENCE LPPFLNSLPQ SEGATNFGDI GVQQDKRRGV TQMGNTNYIT EATIMRPAEV DATA SEQUENCE GYSAPYYSFE ASTQGPFKTP IAAGRGGAQT DENQAADGNP RYAFGRQHGQ DATA SEQUENCE KTTTTGETPE RFTYIAHQDT GRYPEGDWIQ NINFNLPVTN DNVLLPTDPI DATA SEQUENCE GGKTGINYTN IFNTYGPLTA LNNVPPVYPN GQIWDKEFDT DLKPRLHVNA DATA SEQUENCE PFVcQNNcPG QLFVKVAPNL TNEYDPDASA NMSRIVTYSD FWWKGKLVFK DATA SEQUENCE AKLRASHTWN PIQQMSINVD NQFNYVPSNI GGMKIVYEKS QLAPRKLY 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 37 G HA2 0.000 nan 3.960 nan 0.000 0.244 37 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 37 G C 0.000 174.926 174.900 0.043 0.000 0.946 37 G CA 0.000 45.122 45.100 0.037 0.000 0.502 38 V N 0.863 120.799 119.914 0.036 0.000 2.270 38 V HA 0.124 4.244 4.120 -0.001 0.000 0.245 38 V C 2.638 178.758 176.094 0.043 0.000 1.043 38 V CA 2.651 64.975 62.300 0.039 0.000 1.014 38 V CB -0.481 31.361 31.823 0.033 0.000 0.645 38 V HN 1.048 nan 8.190 nan 0.000 0.447 39 G N -0.256 108.566 108.800 0.037 0.000 3.383 39 G HA2 0.251 4.210 3.960 -0.001 0.000 0.251 39 G HA3 0.251 4.210 3.960 -0.001 0.000 0.251 39 G C 0.220 175.142 174.900 0.037 0.000 1.203 39 G CA -0.061 45.062 45.100 0.037 0.000 0.852 39 G HN 0.300 nan 8.290 nan 0.000 0.531 40 I N 1.059 121.654 120.570 0.041 0.000 2.406 40 I HA 0.318 4.487 4.170 -0.001 0.000 0.290 40 I C 0.090 176.239 176.117 0.052 0.000 0.999 40 I CA -1.139 60.183 61.300 0.037 0.000 1.124 40 I CB 1.196 39.213 38.000 0.028 0.000 1.289 40 I HN -0.193 nan 8.210 nan 0.000 0.441 41 S N 3.582 119.310 115.700 0.046 0.000 2.564 41 S HA 0.221 4.690 4.470 -0.001 0.000 0.278 41 S C 1.099 175.726 174.600 0.045 0.000 1.333 41 S CA -0.280 57.960 58.200 0.067 0.000 1.048 41 S CB 0.649 63.874 63.200 0.041 0.000 0.900 41 S HN 0.756 nan 8.310 nan 0.000 0.505 42 T N -0.905 113.707 114.554 0.097 0.000 3.174 42 T HA 0.550 4.900 4.350 -0.001 0.000 0.269 42 T C 0.445 175.104 174.700 -0.068 0.000 1.017 42 T CA -0.077 62.056 62.100 0.055 0.000 0.899 42 T CB 0.023 68.969 68.868 0.130 0.000 1.077 42 T HN 0.733 nan 8.240 nan 0.000 0.552 43 G N -0.384 108.263 108.800 -0.255 0.000 2.550 43 G HA2 0.538 4.497 3.960 -0.001 0.000 0.293 43 G HA3 0.538 4.497 3.960 -0.001 0.000 0.293 43 G C -1.694 172.651 174.900 -0.925 0.000 1.402 43 G CA -0.618 43.859 45.100 -1.038 0.000 0.784 43 G HN 0.112 nan 8.290 nan 0.000 0.482 44 T N 0.317 114.210 114.554 -1.102 0.000 2.861 44 T HA 0.532 4.882 4.350 -0.001 0.000 0.287 44 T C -1.216 173.411 174.700 -0.121 0.000 1.003 44 T CA -0.247 61.596 62.100 -0.429 0.000 0.977 44 T CB 1.316 70.037 68.868 -0.244 0.000 0.996 44 T HN 0.500 nan 8.240 nan 0.000 0.448 45 F N 4.321 124.241 119.950 -0.050 0.000 2.443 45 F HA 0.605 5.132 4.527 -0.001 0.000 0.353 45 F C 0.226 176.077 175.800 0.085 0.000 1.101 45 F CA -0.404 57.659 58.000 0.105 0.000 1.226 45 F CB 0.509 39.517 39.000 0.014 0.000 1.140 45 F HN 0.410 nan 8.300 nan 0.000 0.557 46 N N 4.519 122.972 118.700 -0.411 0.000 2.542 46 N HA 0.179 4.918 4.740 -0.001 0.000 0.288 46 N C -1.743 173.598 175.510 -0.283 0.000 1.115 46 N CA -0.519 52.426 53.050 -0.176 0.000 0.924 46 N CB 1.145 39.599 38.487 -0.055 0.000 1.526 46 N HN 0.751 nan 8.380 nan 0.000 0.515 47 N N 1.527 120.171 118.700 -0.094 0.000 2.517 47 N HA 0.214 4.954 4.740 -0.001 0.000 0.285 47 N C -1.263 174.356 175.510 0.183 0.000 1.528 47 N CA -0.085 52.988 53.050 0.038 0.000 0.892 47 N CB 0.584 39.153 38.487 0.136 0.000 1.356 47 N HN 0.447 nan 8.380 nan 0.000 0.495 48 Q N 0.425 120.323 119.800 0.163 0.000 2.257 48 Q HA 0.284 4.624 4.340 -0.001 0.000 0.255 48 Q C -0.359 175.760 176.000 0.199 0.000 0.920 48 Q CA -0.434 55.484 55.803 0.193 0.000 0.927 48 Q CB 1.658 30.493 28.738 0.163 0.000 1.229 48 Q HN 0.223 nan 8.270 nan 0.000 0.433 49 T N 0.376 115.084 114.554 0.257 0.000 2.771 49 T HA 0.420 4.770 4.350 -0.001 0.000 0.281 49 T C -0.478 174.374 174.700 0.254 0.000 0.982 49 T CA -0.796 61.459 62.100 0.258 0.000 0.978 49 T CB 0.873 69.960 68.868 0.365 0.000 0.930 49 T HN 0.465 nan 8.240 nan 0.000 0.447 50 E N 2.658 122.939 120.200 0.136 0.000 2.204 50 E HA 0.505 4.854 4.350 -0.001 0.000 0.276 50 E C -1.197 175.408 176.600 0.008 0.000 0.974 50 E CA -0.676 55.812 56.400 0.146 0.000 0.815 50 E CB 1.219 30.974 29.700 0.091 0.000 1.119 50 E HN 0.572 nan 8.360 nan 0.000 0.393 51 F N 2.306 122.235 119.950 -0.036 0.000 2.375 51 F HA 0.281 4.807 4.527 -0.001 0.000 0.361 51 F C 0.190 175.756 175.800 -0.389 0.000 1.117 51 F CA -0.793 57.066 58.000 -0.233 0.000 1.037 51 F CB 1.265 40.079 39.000 -0.310 0.000 1.192 51 F HN 0.192 nan 8.300 nan 0.000 0.452 52 K N 5.486 125.743 120.400 -0.239 0.000 2.521 52 K HA 0.402 4.721 4.320 -0.001 0.000 0.248 52 K C -1.294 175.198 176.600 -0.180 0.000 0.978 52 K CA -0.481 55.709 56.287 -0.161 0.000 0.947 52 K CB 0.376 32.862 32.500 -0.023 0.000 1.165 52 K HN 0.327 nan 8.250 nan 0.000 0.445 53 F N 4.329 124.356 119.950 0.128 0.000 2.578 53 F HA 0.011 4.537 4.527 -0.001 0.000 0.381 53 F C 0.677 176.535 175.800 0.097 0.000 1.069 53 F CA -0.331 57.734 58.000 0.109 0.000 1.231 53 F CB 0.069 39.115 39.000 0.078 0.000 1.086 53 F HN 0.351 nan 8.300 nan 0.000 0.564 54 L N 1.895 123.272 121.223 0.257 0.000 2.935 54 L HA 0.429 4.768 4.340 -0.001 0.000 0.214 54 L C 0.410 177.396 176.870 0.192 0.000 1.574 54 L CA -0.795 54.160 54.840 0.191 0.000 1.628 54 L CB 0.073 42.239 42.059 0.179 0.000 2.455 54 L HN 0.376 nan 8.230 nan 0.000 0.578 55 E N 0.646 120.949 120.200 0.172 0.000 2.214 55 E HA 0.266 4.616 4.350 -0.001 0.000 0.274 55 E C -0.686 176.045 176.600 0.218 0.000 0.977 55 E CA -0.407 56.086 56.400 0.153 0.000 0.827 55 E CB 0.866 30.627 29.700 0.103 0.000 1.130 55 E HN 0.436 nan 8.360 nan 0.000 0.394 56 N N 0.761 119.558 118.700 0.162 0.000 2.780 56 N HA -0.165 4.574 4.740 -0.001 0.000 0.248 56 N C 0.368 175.960 175.510 0.137 0.000 1.102 56 N CA 1.103 54.255 53.050 0.171 0.000 0.697 56 N CB -1.645 36.986 38.487 0.240 0.000 1.028 56 N HN 0.885 nan 8.380 nan 0.000 0.554 57 G N -1.330 107.514 108.800 0.073 0.000 2.350 57 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.298 57 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.298 57 G C -0.355 174.414 174.900 -0.218 0.000 1.037 57 G CA 0.345 45.414 45.100 -0.051 0.000 1.074 57 G HN 0.453 nan 8.290 nan 0.000 0.511 58 W N -0.660 120.693 121.300 0.088 0.000 2.683 58 W HA 0.608 5.267 4.660 -0.001 0.000 0.329 58 W C 0.322 176.888 176.519 0.078 0.000 1.037 58 W CA -1.010 56.369 57.345 0.056 0.000 1.232 58 W CB 2.021 31.487 29.460 0.009 0.000 1.390 58 W HN 0.547 nan 8.180 nan 0.000 0.465 59 V N -0.193 119.889 119.914 0.279 0.000 2.769 59 V HA 0.590 4.710 4.120 -0.001 0.000 0.312 59 V C -0.584 175.568 176.094 0.097 0.000 1.058 59 V CA -1.215 61.144 62.300 0.097 0.000 0.952 59 V CB 1.934 33.738 31.823 -0.030 0.000 1.019 59 V HN 0.611 nan 8.190 nan 0.000 0.445 60 E N 2.585 122.776 120.200 -0.014 0.000 2.207 60 E HA 0.474 4.824 4.350 -0.001 0.000 0.250 60 E C -1.350 175.203 176.600 -0.077 0.000 0.890 60 E CA -0.662 55.740 56.400 0.003 0.000 0.749 60 E CB 1.325 31.032 29.700 0.012 0.000 1.193 60 E HN 0.775 nan 8.360 nan 0.000 0.423 61 I N 3.307 123.833 120.570 -0.073 0.000 2.371 61 I HA 0.138 4.307 4.170 -0.001 0.000 0.290 61 I C 0.469 176.594 176.117 0.014 0.000 1.028 61 I CA -0.007 61.165 61.300 -0.214 0.000 1.345 61 I CB 1.569 39.377 38.000 -0.320 0.000 1.407 61 I HN 0.326 nan 8.210 nan 0.000 0.501 62 T N 5.324 119.851 114.554 -0.044 0.000 2.930 62 T HA 0.695 5.044 4.350 -0.001 0.000 0.313 62 T C -0.504 174.245 174.700 0.080 0.000 1.019 62 T CA -0.673 61.450 62.100 0.038 0.000 1.004 62 T CB 0.686 69.557 68.868 0.004 0.000 0.987 62 T HN 0.662 nan 8.240 nan 0.000 0.456 63 A N 5.275 128.178 122.820 0.138 0.000 2.302 63 A HA 0.567 4.886 4.320 -0.001 0.000 0.295 63 A C 0.257 178.025 177.584 0.306 0.000 1.235 63 A CA -0.691 51.460 52.037 0.191 0.000 0.876 63 A CB 0.109 19.137 19.000 0.046 0.000 1.133 63 A HN 0.870 nan 8.150 nan 0.000 0.533 64 N N 1.503 120.366 118.700 0.270 0.000 2.421 64 N HA 0.411 5.151 4.740 -0.001 0.000 0.285 64 N C -0.908 174.714 175.510 0.187 0.000 1.027 64 N CA -0.031 53.152 53.050 0.222 0.000 0.918 64 N CB 1.870 40.412 38.487 0.091 0.000 1.152 64 N HN 0.545 nan 8.380 nan 0.000 0.485 65 S N 0.832 116.589 115.700 0.095 0.000 2.538 65 S HA 0.614 5.083 4.470 -0.001 0.000 0.288 65 S C -1.179 173.327 174.600 -0.157 0.000 1.108 65 S CA -0.481 57.664 58.200 -0.091 0.000 0.971 65 S CB 0.816 63.763 63.200 -0.422 0.000 1.041 65 S HN 0.391 nan 8.310 nan 0.000 0.483 66 S N 3.736 119.344 115.700 -0.153 0.000 2.547 66 S HA 0.759 5.229 4.470 -0.001 0.000 0.281 66 S C -1.088 173.654 174.600 0.236 0.000 1.118 66 S CA -0.950 57.161 58.200 -0.148 0.000 0.947 66 S CB 1.332 63.987 63.200 -0.907 0.000 1.053 66 S HN 0.689 nan 8.310 nan 0.000 0.482 67 R N 1.047 121.811 120.500 0.440 0.000 2.799 67 R HA 0.518 4.858 4.340 -0.001 0.000 0.270 67 R C -1.592 174.756 176.300 0.079 0.000 1.010 67 R CA -0.955 55.334 56.100 0.315 0.000 0.916 67 R CB 1.391 31.797 30.300 0.176 0.000 1.228 67 R HN 0.556 nan 8.270 nan 0.000 0.469 68 L N 1.162 122.199 121.223 -0.310 0.000 2.265 68 L HA 0.478 4.818 4.340 -0.001 0.000 0.289 68 L C -1.041 175.486 176.870 -0.572 0.000 1.033 68 L CA -0.417 53.883 54.840 -0.900 0.000 0.814 68 L CB 1.539 42.818 42.059 -1.301 0.000 1.203 68 L HN 0.286 nan 8.230 nan 0.000 0.423 69 V N 5.086 124.569 119.914 -0.718 0.000 2.472 69 V HA 0.405 4.524 4.120 -0.001 0.000 0.290 69 V C -0.276 175.440 176.094 -0.631 0.000 1.037 69 V CA -0.630 61.246 62.300 -0.707 0.000 0.908 69 V CB 1.201 32.431 31.823 -0.989 0.000 0.985 69 V HN 0.815 nan 8.190 nan 0.000 0.454 70 H N 5.000 123.822 119.070 -0.414 0.000 2.469 70 H HA 0.713 5.269 4.556 -0.001 0.000 0.342 70 H C -1.691 173.566 175.328 -0.119 0.000 1.115 70 H CA -0.726 55.188 56.048 -0.224 0.000 1.204 70 H CB 1.979 31.642 29.762 -0.164 0.000 1.492 70 H HN 0.547 nan 8.280 nan 0.000 0.499 71 L N 5.430 126.436 121.223 -0.362 0.000 2.464 71 L HA 0.366 4.705 4.340 -0.001 0.000 0.266 71 L C -1.367 175.412 176.870 -0.151 0.000 0.965 71 L CA -0.579 54.184 54.840 -0.128 0.000 0.833 71 L CB 1.830 43.948 42.059 0.098 0.000 1.296 71 L HN 0.595 nan 8.230 nan 0.000 0.405 72 N N 4.181 122.843 118.700 -0.062 0.000 2.472 72 N HA 0.530 5.270 4.740 -0.001 0.000 0.289 72 N C -0.392 175.114 175.510 -0.007 0.000 1.156 72 N CA -0.541 52.501 53.050 -0.015 0.000 0.940 72 N CB 1.717 40.206 38.487 0.003 0.000 1.200 72 N HN 0.803 nan 8.380 nan 0.000 0.511 73 M N 0.182 119.782 119.600 0.000 0.000 2.207 73 M HA 0.403 4.883 4.480 -0.001 0.000 0.311 73 M C -2.199 174.075 176.300 -0.044 0.000 1.127 73 M CA -0.926 54.353 55.300 -0.035 0.000 1.181 73 M CB -0.430 32.153 32.600 -0.028 0.000 1.409 73 M HN 0.148 nan 8.290 nan 0.000 0.461 74 P HA 0.078 nan 4.420 nan 0.000 0.278 74 P C 0.227 177.496 177.300 -0.052 0.000 1.238 74 P CA -0.212 62.845 63.100 -0.071 0.000 0.794 74 P CB 0.565 32.196 31.700 -0.116 0.000 0.955 75 E N 1.459 121.632 120.200 -0.044 0.000 2.108 75 E HA -0.193 4.156 4.350 -0.001 0.000 0.203 75 E C 0.097 176.675 176.600 -0.037 0.000 1.022 75 E CA 1.719 58.097 56.400 -0.036 0.000 0.823 75 E CB -0.080 29.598 29.700 -0.037 0.000 0.744 75 E HN 0.393 nan 8.360 nan 0.000 0.456 76 S N -1.482 114.190 115.700 -0.048 0.000 2.697 76 S HA 0.374 4.844 4.470 -0.001 0.000 0.289 76 S C -0.544 174.018 174.600 -0.063 0.000 1.149 76 S CA -0.494 57.680 58.200 -0.044 0.000 0.850 76 S CB 1.786 64.962 63.200 -0.041 0.000 1.151 76 S HN 0.124 nan 8.310 nan 0.000 0.491 77 E N 0.852 121.025 120.200 -0.044 0.000 2.585 77 E HA 0.389 4.739 4.350 -0.001 0.000 0.206 77 E C -0.693 175.887 176.600 -0.034 0.000 1.007 77 E CA -0.126 56.237 56.400 -0.063 0.000 1.028 77 E CB 0.109 29.784 29.700 -0.041 0.000 1.087 77 E HN 0.437 nan 8.360 nan 0.000 0.455 78 N N -0.437 118.243 118.700 -0.033 0.000 2.402 78 N HA 0.242 4.982 4.740 -0.001 0.000 0.294 78 N C -1.124 174.388 175.510 0.003 0.000 1.203 78 N CA -0.497 52.571 53.050 0.031 0.000 0.838 78 N CB 0.718 39.228 38.487 0.038 0.000 1.306 78 N HN -0.018 nan 8.380 nan 0.000 0.510 79 Y N 0.489 120.856 120.300 0.111 0.000 2.308 79 Y HA 0.381 4.930 4.550 -0.001 0.000 0.329 79 Y C 0.641 176.518 175.900 -0.038 0.000 1.111 79 Y CA -0.158 58.012 58.100 0.116 0.000 1.179 79 Y CB 0.975 39.624 38.460 0.316 0.000 1.201 79 Y HN 0.110 nan 8.280 nan 0.000 0.483 80 R N 1.949 122.465 120.500 0.027 0.000 2.562 80 R HA 0.488 4.827 4.340 -0.001 0.000 0.298 80 R C -0.702 175.483 176.300 -0.191 0.000 0.961 80 R CA -1.044 54.999 56.100 -0.095 0.000 0.881 80 R CB 1.834 32.075 30.300 -0.098 0.000 1.159 80 R HN 0.558 nan 8.270 nan 0.000 0.450 81 R N 3.191 123.527 120.500 -0.274 0.000 2.272 81 R HA 0.331 4.671 4.340 -0.001 0.000 0.323 81 R C -1.308 174.814 176.300 -0.296 0.000 1.002 81 R CA -0.348 55.515 56.100 -0.394 0.000 0.900 81 R CB 0.745 30.694 30.300 -0.585 0.000 1.151 81 R HN 0.352 nan 8.270 nan 0.000 0.507 82 V N 4.482 124.240 119.914 -0.259 0.000 2.581 82 V HA 0.468 4.587 4.120 -0.001 0.000 0.303 82 V C -0.092 175.839 176.094 -0.271 0.000 1.041 82 V CA -0.882 61.276 62.300 -0.235 0.000 0.907 82 V CB 1.913 33.611 31.823 -0.209 0.000 0.994 82 V HN 0.365 nan 8.190 nan 0.000 0.442 83 V N 3.918 123.651 119.914 -0.301 0.000 2.581 83 V HA 0.537 4.657 4.120 -0.001 0.000 0.303 83 V C -0.302 175.525 176.094 -0.444 0.000 1.041 83 V CA -0.661 61.395 62.300 -0.407 0.000 0.907 83 V CB 2.067 33.621 31.823 -0.449 0.000 0.994 83 V HN 0.611 nan 8.190 nan 0.000 0.442 84 V N 3.543 123.114 119.914 -0.572 0.000 2.350 84 V HA 0.417 4.536 4.120 -0.001 0.000 0.285 84 V C -0.310 175.576 176.094 -0.346 0.000 1.014 84 V CA -0.474 61.554 62.300 -0.454 0.000 0.831 84 V CB 1.440 32.925 31.823 -0.563 0.000 1.000 84 V HN 0.941 nan 8.190 nan 0.000 0.433 85 N N 3.848 122.398 118.700 -0.251 0.000 2.696 85 N HA 0.230 4.969 4.740 -0.001 0.000 0.246 85 N C 0.458 175.907 175.510 -0.102 0.000 1.057 85 N CA -0.506 52.434 53.050 -0.184 0.000 0.867 85 N CB 0.713 39.060 38.487 -0.234 0.000 1.141 85 N HN 0.620 nan 8.380 nan 0.000 0.517 86 N N 3.943 122.607 118.700 -0.059 0.000 2.346 86 N HA -0.020 4.719 4.740 -0.001 0.000 0.225 86 N C 1.197 176.694 175.510 -0.021 0.000 1.144 86 N CA -0.224 52.805 53.050 -0.036 0.000 0.837 86 N CB -0.041 38.434 38.487 -0.020 0.000 1.069 86 N HN 0.552 nan 8.380 nan 0.000 0.487 87 M N 1.546 121.135 119.600 -0.020 0.000 2.164 87 M HA -0.351 4.128 4.480 -0.001 0.000 0.251 87 M C 1.116 177.412 176.300 -0.007 0.000 1.087 87 M CA 2.491 57.789 55.300 -0.003 0.000 1.071 87 M CB -0.426 32.172 32.600 -0.003 0.000 1.347 87 M HN 0.435 nan 8.290 nan 0.000 0.399 88 D N -0.953 119.438 120.400 -0.015 0.000 2.182 88 D HA -0.256 4.383 4.640 -0.001 0.000 0.201 88 D C 1.805 178.097 176.300 -0.013 0.000 0.986 88 D CA 1.754 55.745 54.000 -0.015 0.000 0.847 88 D CB -0.359 40.428 40.800 -0.020 0.000 0.942 88 D HN 0.509 nan 8.370 nan 0.000 0.467 89 K N 0.282 120.674 120.400 -0.013 0.000 2.186 89 K HA -0.027 4.292 4.320 -0.001 0.000 0.202 89 K C 1.856 178.448 176.600 -0.013 0.000 1.052 89 K CA 1.722 58.002 56.287 -0.012 0.000 0.965 89 K CB -0.512 31.981 32.500 -0.011 0.000 0.746 89 K HN 0.292 nan 8.250 nan 0.000 0.457 90 T N -2.185 112.363 114.554 -0.010 0.000 3.067 90 T HA 0.232 4.581 4.350 -0.001 0.000 0.257 90 T C 1.923 176.616 174.700 -0.012 0.000 1.105 90 T CA 0.389 62.481 62.100 -0.012 0.000 1.104 90 T CB -0.103 68.763 68.868 -0.004 0.000 0.925 90 T HN 0.183 nan 8.240 nan 0.000 0.498 91 A N 1.294 124.108 122.820 -0.009 0.000 2.131 91 A HA 0.189 4.508 4.320 -0.001 0.000 0.220 91 A C 1.240 178.816 177.584 -0.014 0.000 1.158 91 A CA 0.480 52.511 52.037 -0.009 0.000 0.665 91 A CB -0.769 18.227 19.000 -0.008 0.000 0.795 91 A HN 0.435 nan 8.150 nan 0.000 0.460 92 V N 2.322 122.227 119.914 -0.015 0.000 2.405 92 V HA 0.057 4.177 4.120 -0.001 0.000 0.264 92 V C -0.336 175.746 176.094 -0.020 0.000 1.048 92 V CA -0.781 61.510 62.300 -0.015 0.000 0.966 92 V CB 0.051 31.866 31.823 -0.012 0.000 1.015 92 V HN 0.473 nan 8.190 nan 0.000 0.477 93 N N 3.735 122.419 118.700 -0.026 0.000 2.353 93 N HA 0.279 5.019 4.740 -0.001 0.000 0.248 93 N C 1.270 176.768 175.510 -0.020 0.000 1.240 93 N CA 1.329 54.356 53.050 -0.039 0.000 0.862 93 N CB 0.373 38.819 38.487 -0.069 0.000 1.086 93 N HN 1.018 nan 8.380 nan 0.000 0.453 94 G N 0.719 109.507 108.800 -0.020 0.000 2.176 94 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.253 94 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.253 94 G C 0.520 175.405 174.900 -0.026 0.000 0.979 94 G CA -0.028 45.073 45.100 0.003 0.000 0.641 94 G HN 0.584 nan 8.290 nan 0.000 0.530 95 N N 0.331 119.007 118.700 -0.041 0.000 2.234 95 N HA 0.239 4.978 4.740 -0.001 0.000 0.227 95 N C 2.398 177.860 175.510 -0.081 0.000 1.151 95 N CA 0.497 53.515 53.050 -0.053 0.000 0.865 95 N CB -0.146 38.322 38.487 -0.033 0.000 1.066 95 N HN 0.636 nan 8.380 nan 0.000 0.515 96 M N -1.316 118.221 119.600 -0.105 0.000 2.144 96 M HA -0.067 4.413 4.480 -0.001 0.000 0.260 96 M C 1.720 177.909 176.300 -0.186 0.000 1.067 96 M CA 1.666 56.891 55.300 -0.124 0.000 1.095 96 M CB -0.859 31.661 32.600 -0.134 0.000 1.365 96 M HN 0.054 nan 8.290 nan 0.000 0.406 97 A N 0.939 123.570 122.820 -0.313 0.000 2.225 97 A HA 0.088 4.407 4.320 -0.001 0.000 0.215 97 A C 2.054 179.549 177.584 -0.148 0.000 1.164 97 A CA 0.765 52.553 52.037 -0.416 0.000 0.710 97 A CB -0.690 17.923 19.000 -0.645 0.000 0.780 97 A HN 0.573 nan 8.150 nan 0.000 0.473 98 L N -0.074 121.096 121.223 -0.088 0.000 2.611 98 L HA 0.050 4.389 4.340 -0.001 0.000 0.229 98 L C 0.135 177.003 176.870 -0.003 0.000 1.137 98 L CA -0.115 54.707 54.840 -0.030 0.000 0.901 98 L CB -0.557 41.486 42.059 -0.027 0.000 1.098 98 L HN 0.283 nan 8.230 nan 0.000 0.456 99 D N 0.789 121.190 120.400 0.002 0.000 2.493 99 D HA -0.059 4.580 4.640 -0.001 0.000 0.240 99 D C 0.246 176.587 176.300 0.069 0.000 1.142 99 D CA 0.821 54.845 54.000 0.039 0.000 0.872 99 D CB 0.881 41.712 40.800 0.053 0.000 1.173 99 D HN -0.000 nan 8.370 nan 0.000 0.467 100 D N 2.554 122.999 120.400 0.075 0.000 2.538 100 D HA 0.149 4.789 4.640 -0.001 0.000 0.241 100 D C 0.124 176.514 176.300 0.149 0.000 1.297 100 D CA -0.300 53.765 54.000 0.108 0.000 0.804 100 D CB 0.080 40.931 40.800 0.084 0.000 1.122 100 D HN 0.413 nan 8.370 nan 0.000 0.519 101 I N 3.241 123.857 120.570 0.077 0.000 2.668 101 I HA 0.010 4.179 4.170 -0.001 0.000 0.285 101 I C 0.428 176.431 176.117 -0.190 0.000 1.168 101 I CA 0.837 62.113 61.300 -0.040 0.000 1.424 101 I CB 0.173 38.193 38.000 0.033 0.000 1.377 101 I HN 0.109 nan 8.210 nan 0.000 0.560 102 H N 4.719 123.409 119.070 -0.633 0.000 2.967 102 H HA 0.791 5.347 4.556 -0.001 0.000 0.318 102 H C -1.826 173.001 175.328 -0.835 0.000 1.375 102 H CA -1.302 53.937 56.048 -1.348 0.000 1.132 102 H CB 1.153 30.439 29.762 -0.793 0.000 1.848 102 H HN 0.520 nan 8.280 nan 0.000 0.524 103 A N 1.069 123.467 122.820 -0.705 0.000 2.380 103 A HA 0.659 4.978 4.320 -0.001 0.000 0.315 103 A C -0.722 176.976 177.584 0.191 0.000 1.101 103 A CA -0.420 51.549 52.037 -0.113 0.000 0.771 103 A CB 2.024 21.192 19.000 0.281 0.000 1.287 103 A HN 0.918 nan 8.150 nan 0.000 0.436 104 Q N 0.753 120.602 119.800 0.081 0.000 2.522 104 Q HA 0.650 4.990 4.340 -0.001 0.000 0.285 104 Q C -1.798 174.098 176.000 -0.174 0.000 0.982 104 Q CA -0.871 54.956 55.803 0.041 0.000 0.805 104 Q CB 1.278 30.017 28.738 0.001 0.000 1.457 104 Q HN 0.466 nan 8.270 nan 0.000 0.394 105 I N 2.190 122.537 120.570 -0.371 0.000 2.336 105 I HA 0.357 4.527 4.170 -0.001 0.000 0.292 105 I C -0.442 175.416 176.117 -0.432 0.000 0.991 105 I CA -0.943 60.079 61.300 -0.464 0.000 1.227 105 I CB 1.577 39.202 38.000 -0.625 0.000 1.366 105 I HN 0.521 nan 8.210 nan 0.000 0.466 106 V N 5.829 125.604 119.914 -0.232 0.000 2.383 106 V HA 0.362 4.482 4.120 -0.001 0.000 0.275 106 V C 0.599 176.640 176.094 -0.090 0.000 1.036 106 V CA -0.404 61.796 62.300 -0.167 0.000 0.889 106 V CB 1.471 33.212 31.823 -0.135 0.000 0.985 106 V HN 0.912 nan 8.190 nan 0.000 0.459 107 T N 2.837 117.353 114.554 -0.064 0.000 2.918 107 T HA 0.520 4.870 4.350 -0.001 0.000 0.286 107 T C -1.898 172.763 174.700 -0.066 0.000 1.026 107 T CA -2.208 59.835 62.100 -0.095 0.000 1.031 107 T CB 2.227 71.235 68.868 0.233 0.000 1.046 107 T HN 0.457 nan 8.240 nan 0.000 0.479 108 P HA 0.159 nan 4.420 nan 0.000 0.247 108 P C -0.763 176.451 177.300 -0.144 0.000 1.225 108 P CA 0.011 62.998 63.100 -0.188 0.000 0.768 108 P CB -0.176 31.344 31.700 -0.301 0.000 1.020 109 W N -0.102 121.206 121.300 0.014 0.000 2.578 109 W HA 0.468 5.127 4.660 -0.001 0.000 0.353 109 W C 0.422 177.077 176.519 0.226 0.000 1.088 109 W CA -0.308 57.110 57.345 0.123 0.000 1.235 109 W CB 0.889 30.433 29.460 0.141 0.000 1.362 109 W HN -0.352 nan 8.180 nan 0.000 0.592 110 S N 1.538 117.523 115.700 0.475 0.000 2.537 110 S HA 0.586 5.056 4.470 -0.001 0.000 0.301 110 S C -1.311 173.523 174.600 0.391 0.000 1.092 110 S CA -0.699 57.722 58.200 0.368 0.000 1.048 110 S CB 1.091 64.421 63.200 0.218 0.000 1.053 110 S HN 0.351 nan 8.310 nan 0.000 0.501 111 L N 3.711 125.110 121.223 0.294 0.000 2.282 111 L HA 0.576 4.916 4.340 -0.001 0.000 0.288 111 L C -1.012 175.844 176.870 -0.024 0.000 1.033 111 L CA -0.272 54.619 54.840 0.086 0.000 0.807 111 L CB 1.070 43.212 42.059 0.140 0.000 1.209 111 L HN 0.404 nan 8.230 nan 0.000 0.423 112 V N 5.174 125.018 119.914 -0.118 0.000 2.320 112 V HA 0.312 4.431 4.120 -0.001 0.000 0.265 112 V C -0.263 175.719 176.094 -0.186 0.000 1.048 112 V CA -0.463 61.755 62.300 -0.136 0.000 0.865 112 V CB 0.580 32.348 31.823 -0.092 0.000 1.043 112 V HN 0.718 nan 8.190 nan 0.000 0.474 113 D N 4.266 124.546 120.400 -0.199 0.000 2.308 113 D HA 0.594 5.234 4.640 -0.001 0.000 0.242 113 D C 0.160 176.321 176.300 -0.231 0.000 1.059 113 D CA -0.361 53.528 54.000 -0.185 0.000 0.830 113 D CB 2.342 43.038 40.800 -0.173 0.000 1.161 113 D HN 0.516 nan 8.370 nan 0.000 0.494 114 A N 3.780 126.509 122.820 -0.152 0.000 2.631 114 A HA 0.096 4.415 4.320 -0.001 0.000 0.294 114 A C 0.408 177.969 177.584 -0.037 0.000 1.156 114 A CA -0.506 51.443 52.037 -0.146 0.000 0.963 114 A CB -0.229 18.730 19.000 -0.069 0.000 1.202 114 A HN 0.388 nan 8.150 nan 0.000 0.523 115 N N 1.742 120.277 118.700 -0.274 0.000 2.918 115 N HA 0.552 5.292 4.740 -0.001 0.000 0.247 115 N C -0.671 174.606 175.510 -0.388 0.000 1.117 115 N CA 0.575 53.281 53.050 -0.573 0.000 1.005 115 N CB 0.201 37.972 38.487 -1.193 0.000 1.297 115 N HN 0.446 nan 8.380 nan 0.000 0.513 116 A N 1.864 124.553 122.820 -0.219 0.000 2.540 116 A HA 0.293 4.612 4.320 -0.001 0.000 0.297 116 A C 0.131 177.630 177.584 -0.142 0.000 1.056 116 A CA -0.886 51.043 52.037 -0.180 0.000 0.700 116 A CB 0.025 19.008 19.000 -0.029 0.000 1.280 116 A HN 0.501 nan 8.150 nan 0.000 0.398 117 W N 1.898 123.162 121.300 -0.060 0.000 2.318 117 W HA -0.127 4.533 4.660 -0.001 0.000 0.313 117 W C 2.236 178.654 176.519 -0.168 0.000 1.221 117 W CA 2.119 59.490 57.345 0.045 0.000 1.266 117 W CB -0.051 29.369 29.460 -0.067 0.000 1.150 117 W HN 0.920 nan 8.180 nan 0.000 0.496 118 G N -0.050 108.320 108.800 -0.717 0.000 2.499 118 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.221 118 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.221 118 G C 1.289 175.622 174.900 -0.945 0.000 1.109 118 G CA 1.405 45.607 45.100 -1.496 0.000 0.749 118 G HN 0.220 nan 8.290 nan 0.000 0.568 119 V N -1.170 118.415 119.914 -0.547 0.000 2.591 119 V HA -0.056 4.064 4.120 -0.001 0.000 0.249 119 V C 2.187 177.936 176.094 -0.576 0.000 1.053 119 V CA 1.441 63.476 62.300 -0.442 0.000 1.068 119 V CB -0.479 30.981 31.823 -0.605 0.000 0.689 119 V HN 0.629 nan 8.190 nan 0.000 0.462 120 W N -1.897 119.360 121.300 -0.073 0.000 2.735 120 W HA 0.382 5.042 4.660 -0.001 0.000 0.264 120 W C 0.577 176.911 176.519 -0.309 0.000 1.233 120 W CA -0.412 56.792 57.345 -0.235 0.000 1.408 120 W CB 0.131 29.310 29.460 -0.468 0.000 1.038 120 W HN 0.032 nan 8.180 nan 0.000 0.603 121 F N 1.499 121.757 119.950 0.514 0.000 2.561 121 F HA 0.323 4.849 4.527 -0.001 0.000 0.321 121 F C 0.244 176.276 175.800 0.386 0.000 1.065 121 F CA -1.584 56.685 58.000 0.449 0.000 0.934 121 F CB 0.725 40.035 39.000 0.517 0.000 1.215 121 F HN -0.283 nan 8.300 nan 0.000 0.471 122 N N 1.287 120.299 118.700 0.520 0.000 2.483 122 N HA 0.480 5.219 4.740 -0.001 0.000 0.285 122 N C -2.319 173.359 175.510 0.280 0.000 1.210 122 N CA -2.238 51.059 53.050 0.412 0.000 0.931 122 N CB 0.590 39.302 38.487 0.374 0.000 1.220 122 N HN 0.175 nan 8.380 nan 0.000 0.542 123 P HA -0.200 nan 4.420 nan 0.000 0.217 123 P C 1.248 178.604 177.300 0.093 0.000 1.151 123 P CA 2.209 65.433 63.100 0.207 0.000 0.849 123 P CB -0.287 31.676 31.700 0.438 0.000 0.787 124 G N 0.724 109.598 108.800 0.124 0.000 2.433 124 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.216 124 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.216 124 G C 1.256 176.185 174.900 0.049 0.000 1.186 124 G CA 1.119 46.257 45.100 0.062 0.000 0.779 124 G HN 0.201 nan 8.290 nan 0.000 0.543 125 D N -0.418 120.074 120.400 0.154 0.000 2.117 125 D HA -0.117 4.523 4.640 -0.001 0.000 0.197 125 D C 1.970 178.262 176.300 -0.014 0.000 0.987 125 D CA 0.511 54.623 54.000 0.186 0.000 0.829 125 D CB -0.447 40.635 40.800 0.471 0.000 0.961 125 D HN 0.510 nan 8.370 nan 0.000 0.460 126 W N 2.043 123.177 121.300 -0.277 0.000 2.335 126 W HA -0.218 4.442 4.660 -0.001 0.000 0.311 126 W C 2.257 178.577 176.519 -0.331 0.000 1.213 126 W CA 1.361 58.416 57.345 -0.484 0.000 1.274 126 W CB -0.164 28.782 29.460 -0.856 0.000 1.148 126 W HN 0.078 nan 8.180 nan 0.000 0.498 127 Q N 0.187 119.902 119.800 -0.143 0.000 2.077 127 Q HA -0.294 4.046 4.340 -0.001 0.000 0.206 127 Q C 2.363 178.206 176.000 -0.263 0.000 0.989 127 Q CA 2.162 57.851 55.803 -0.190 0.000 0.853 127 Q CB -0.588 28.064 28.738 -0.144 0.000 0.907 127 Q HN 0.231 nan 8.270 nan 0.000 0.418 128 L N 0.767 121.839 121.223 -0.251 0.000 2.012 128 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 128 L C 2.070 178.772 176.870 -0.280 0.000 1.073 128 L CA 1.666 56.342 54.840 -0.273 0.000 0.748 128 L CB -0.609 41.222 42.059 -0.380 0.000 0.891 128 L HN 0.324 nan 8.230 nan 0.000 0.431 129 I N -2.025 118.324 120.570 -0.368 0.000 2.090 129 I HA -0.306 3.863 4.170 -0.001 0.000 0.236 129 I C 2.406 178.229 176.117 -0.491 0.000 1.064 129 I CA 1.438 62.465 61.300 -0.455 0.000 1.324 129 I CB -0.590 36.913 38.000 -0.828 0.000 1.044 129 I HN 0.036 nan 8.210 nan 0.000 0.399 130 V N 1.380 120.873 119.914 -0.700 0.000 2.332 130 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 130 V C 2.053 177.952 176.094 -0.325 0.000 1.055 130 V CA 2.044 64.008 62.300 -0.560 0.000 1.038 130 V CB -0.721 30.636 31.823 -0.778 0.000 0.651 130 V HN 0.443 nan 8.190 nan 0.000 0.450 131 N N -0.352 118.185 118.700 -0.271 0.000 2.376 131 N HA -0.063 4.677 4.740 -0.001 0.000 0.177 131 N C 1.818 177.227 175.510 -0.168 0.000 1.024 131 N CA 1.591 54.529 53.050 -0.188 0.000 0.893 131 N CB -0.027 38.362 38.487 -0.162 0.000 0.980 131 N HN 0.685 nan 8.380 nan 0.000 0.439 132 T N -3.028 111.420 114.554 -0.177 0.000 3.010 132 T HA 0.281 4.631 4.350 -0.001 0.000 0.257 132 T C 0.591 175.216 174.700 -0.123 0.000 1.020 132 T CA -0.226 61.792 62.100 -0.137 0.000 0.938 132 T CB 0.358 69.157 68.868 -0.115 0.000 1.049 132 T HN -0.207 nan 8.240 nan 0.000 0.522 133 M N 1.949 121.463 119.600 -0.144 0.000 2.528 133 M HA 0.524 5.003 4.480 -0.001 0.000 0.318 133 M C 1.101 177.322 176.300 -0.131 0.000 1.195 133 M CA -0.493 54.731 55.300 -0.126 0.000 1.000 133 M CB 1.354 33.883 32.600 -0.120 0.000 1.615 133 M HN 0.244 nan 8.290 nan 0.000 0.469 134 S N -1.108 114.523 115.700 -0.115 0.000 2.559 134 S HA 0.197 4.666 4.470 -0.001 0.000 0.226 134 S C 0.064 174.636 174.600 -0.047 0.000 1.030 134 S CA -0.262 57.885 58.200 -0.089 0.000 0.956 134 S CB 0.500 63.647 63.200 -0.088 0.000 0.900 134 S HN 0.806 nan 8.310 nan 0.000 0.510 135 E N -0.076 120.116 120.200 -0.013 0.000 2.390 135 E HA 0.599 4.948 4.350 -0.001 0.000 0.280 135 E C -2.163 174.555 176.600 0.197 0.000 0.992 135 E CA -1.063 55.388 56.400 0.085 0.000 0.790 135 E CB 1.020 30.808 29.700 0.147 0.000 1.248 135 E HN 0.125 nan 8.360 nan 0.000 0.447 136 L N 2.303 123.683 121.223 0.261 0.000 2.365 136 L HA 0.499 4.838 4.340 -0.001 0.000 0.273 136 L C -1.405 175.807 176.870 0.571 0.000 1.000 136 L CA -0.430 54.672 54.840 0.436 0.000 0.819 136 L CB 1.755 44.036 42.059 0.371 0.000 1.284 136 L HN 0.672 nan 8.230 nan 0.000 0.418 137 H N 4.903 124.246 119.070 0.454 0.000 2.658 137 H HA 0.376 4.931 4.556 -0.001 0.000 0.337 137 H C -1.146 174.254 175.328 0.119 0.000 1.009 137 H CA -1.005 55.233 56.048 0.317 0.000 1.231 137 H CB 2.470 32.367 29.762 0.226 0.000 1.508 137 H HN 0.436 nan 8.280 nan 0.000 0.517 138 L N 4.523 125.633 121.223 -0.189 0.000 2.283 138 L HA 0.122 4.462 4.340 -0.001 0.000 0.287 138 L C -0.029 176.601 176.870 -0.400 0.000 1.073 138 L CA 0.078 54.466 54.840 -0.753 0.000 0.822 138 L CB 0.638 41.777 42.059 -1.534 0.000 1.186 138 L HN 0.482 nan 8.230 nan 0.000 0.436 139 V N 2.980 122.726 119.914 -0.280 0.000 2.581 139 V HA 0.265 4.384 4.120 -0.001 0.000 0.240 139 V C 0.913 177.040 176.094 0.056 0.000 1.054 139 V CA 1.135 63.414 62.300 -0.035 0.000 1.076 139 V CB -0.013 31.787 31.823 -0.038 0.000 0.748 139 V HN 0.928 nan 8.190 nan 0.000 0.474 140 S N -1.263 114.398 115.700 -0.066 0.000 2.643 140 S HA 0.702 5.171 4.470 -0.001 0.000 0.270 140 S C -1.657 172.906 174.600 -0.063 0.000 1.166 140 S CA -0.573 57.463 58.200 -0.274 0.000 0.815 140 S CB 2.564 65.323 63.200 -0.735 0.000 1.139 140 S HN 0.155 nan 8.310 nan 0.000 0.472 141 F N 0.658 120.339 119.950 -0.448 0.000 2.596 141 F HA 0.751 5.277 4.527 -0.001 0.000 0.311 141 F C -1.461 174.186 175.800 -0.256 0.000 1.116 141 F CA -0.633 57.182 58.000 -0.308 0.000 0.957 141 F CB 1.867 40.691 39.000 -0.292 0.000 1.250 141 F HN 0.910 nan 8.300 nan 0.000 0.444 142 E N 4.174 123.865 120.200 -0.849 0.000 2.356 142 E HA 0.502 4.852 4.350 -0.001 0.000 0.275 142 E C -1.655 174.536 176.600 -0.682 0.000 0.904 142 E CA -0.985 54.980 56.400 -0.724 0.000 0.757 142 E CB 2.681 32.139 29.700 -0.405 0.000 1.232 142 E HN 0.596 nan 8.360 nan 0.000 0.442 143 Q N 1.300 120.811 119.800 -0.482 0.000 2.418 143 Q HA 0.581 4.920 4.340 -0.001 0.000 0.282 143 Q C -1.576 174.344 176.000 -0.134 0.000 1.044 143 Q CA -0.979 54.670 55.803 -0.257 0.000 0.813 143 Q CB 2.719 31.514 28.738 0.093 0.000 1.428 143 Q HN 0.585 nan 8.270 nan 0.000 0.402 144 E N 1.460 121.591 120.200 -0.116 0.000 2.392 144 E HA 0.631 4.981 4.350 -0.001 0.000 0.279 144 E C -1.486 175.263 176.600 0.249 0.000 0.964 144 E CA -0.934 55.512 56.400 0.077 0.000 0.777 144 E CB 1.842 31.541 29.700 -0.000 0.000 1.249 144 E HN 0.566 nan 8.360 nan 0.000 0.449 145 I N 2.939 123.737 120.570 0.380 0.000 2.378 145 I HA 0.528 4.697 4.170 -0.001 0.000 0.291 145 I C -0.848 175.519 176.117 0.417 0.000 0.992 145 I CA -0.720 60.806 61.300 0.375 0.000 1.154 145 I CB 0.654 38.776 38.000 0.203 0.000 1.315 145 I HN 0.559 nan 8.210 nan 0.000 0.448 146 F N 3.120 123.251 119.950 0.301 0.000 2.715 146 F HA 0.554 5.080 4.527 -0.001 0.000 0.318 146 F C -0.117 175.902 175.800 0.365 0.000 1.141 146 F CA -1.594 56.553 58.000 0.245 0.000 0.950 146 F CB 0.699 39.788 39.000 0.149 0.000 1.374 146 F HN 0.340 nan 8.300 nan 0.000 0.477 147 N N 0.019 119.007 118.700 0.481 0.000 2.688 147 N HA -0.137 4.602 4.740 -0.001 0.000 0.258 147 N C -0.983 174.735 175.510 0.347 0.000 1.016 147 N CA 0.572 53.857 53.050 0.393 0.000 0.747 147 N CB -0.992 37.742 38.487 0.413 0.000 0.895 147 N HN 0.601 nan 8.380 nan 0.000 0.543 148 V N 0.331 120.401 119.914 0.260 0.000 2.715 148 V HA 0.342 4.462 4.120 -0.001 0.000 0.299 148 V C 0.840 177.023 176.094 0.148 0.000 1.054 148 V CA -0.103 62.324 62.300 0.211 0.000 1.077 148 V CB 1.548 33.450 31.823 0.132 0.000 0.972 148 V HN 0.097 nan 8.190 nan 0.000 0.484 149 V N 6.038 126.021 119.914 0.115 0.000 2.760 149 V HA 0.534 4.653 4.120 -0.001 0.000 0.309 149 V C -0.794 175.271 176.094 -0.049 0.000 1.077 149 V CA -0.565 61.758 62.300 0.037 0.000 0.910 149 V CB 2.066 33.915 31.823 0.043 0.000 1.008 149 V HN 0.647 nan 8.190 nan 0.000 0.424 150 L N 5.153 126.318 121.223 -0.097 0.000 2.376 150 L HA 0.635 4.974 4.340 -0.001 0.000 0.275 150 L C -0.278 176.443 176.870 -0.248 0.000 0.987 150 L CA -0.199 54.531 54.840 -0.182 0.000 0.828 150 L CB 1.851 43.848 42.059 -0.104 0.000 1.249 150 L HN 0.528 nan 8.230 nan 0.000 0.409 151 K N 0.796 120.903 120.400 -0.488 0.000 2.350 151 K HA 0.851 5.170 4.320 -0.001 0.000 0.241 151 K C -0.794 175.680 176.600 -0.209 0.000 0.994 151 K CA -0.939 55.136 56.287 -0.352 0.000 0.839 151 K CB 2.471 34.742 32.500 -0.381 0.000 1.244 151 K HN 0.559 nan 8.250 nan 0.000 0.443 152 T N -2.121 112.449 114.554 0.027 0.000 2.840 152 T HA 0.339 4.689 4.350 -0.001 0.000 0.287 152 T C -0.287 174.537 174.700 0.207 0.000 0.991 152 T CA -0.859 61.317 62.100 0.126 0.000 0.964 152 T CB 0.843 69.743 68.868 0.054 0.000 0.954 152 T HN 0.164 nan 8.240 nan 0.000 0.438 153 V N 3.986 124.066 119.914 0.277 0.000 2.439 153 V HA 0.395 4.514 4.120 -0.001 0.000 0.271 153 V C 0.453 176.577 176.094 0.049 0.000 1.040 153 V CA -0.465 61.958 62.300 0.204 0.000 1.002 153 V CB 0.149 32.125 31.823 0.256 0.000 1.000 153 V HN 1.069 nan 8.190 nan 0.000 0.477 154 S N 3.573 119.250 115.700 -0.038 0.000 2.530 154 S HA 0.498 4.967 4.470 -0.001 0.000 0.322 154 S C -0.499 174.045 174.600 -0.092 0.000 1.085 154 S CA -0.827 57.346 58.200 -0.046 0.000 1.096 154 S CB 1.486 64.665 63.200 -0.035 0.000 0.988 154 S HN 0.794 nan 8.310 nan 0.000 0.466 155 E N 1.989 122.151 120.200 -0.063 0.000 2.081 155 E HA 0.246 4.596 4.350 -0.001 0.000 0.281 155 E C -0.476 176.094 176.600 -0.051 0.000 0.986 155 E CA -0.188 56.171 56.400 -0.068 0.000 0.796 155 E CB 0.710 30.384 29.700 -0.044 0.000 1.085 155 E HN 0.568 nan 8.360 nan 0.000 0.398 156 S N 3.939 119.604 115.700 -0.059 0.000 3.869 156 S HA 0.262 4.731 4.470 -0.001 0.000 0.241 156 S C 0.070 174.650 174.600 -0.033 0.000 1.363 156 S CA -0.412 57.763 58.200 -0.041 0.000 0.894 156 S CB -0.468 62.708 63.200 -0.039 0.000 1.519 156 S HN 0.610 nan 8.310 nan 0.000 0.470 157 A N 4.488 127.291 122.820 -0.027 0.000 2.888 157 A HA 0.230 4.550 4.320 -0.001 0.000 0.290 157 A C 0.991 178.565 177.584 -0.018 0.000 1.736 157 A CA 0.377 52.401 52.037 -0.021 0.000 1.244 157 A CB -0.710 18.279 19.000 -0.017 0.000 0.973 157 A HN 0.680 nan 8.150 nan 0.000 0.595 158 T N 0.692 115.234 114.554 -0.019 0.000 2.906 158 T HA 0.228 4.577 4.350 -0.001 0.000 0.283 158 T C 1.714 176.406 174.700 -0.013 0.000 1.098 158 T CA -0.179 61.911 62.100 -0.015 0.000 0.960 158 T CB 0.383 69.241 68.868 -0.017 0.000 1.776 158 T HN 0.705 nan 8.240 nan 0.000 0.594 159 Q N 0.987 120.780 119.800 -0.011 0.000 1.891 159 Q HA -0.040 4.300 4.340 -0.001 0.000 0.214 159 Q C -1.554 174.440 176.000 -0.010 0.000 0.995 159 Q CA 0.983 56.781 55.803 -0.009 0.000 0.866 159 Q CB -1.294 27.440 28.738 -0.007 0.000 0.931 159 Q HN 0.406 nan 8.270 nan 0.000 0.422 160 P HA 0.188 nan 4.420 nan 0.000 0.268 160 P C -2.541 174.751 177.300 -0.014 0.000 1.541 160 P CA -1.459 61.636 63.100 -0.010 0.000 1.093 160 P CB 0.354 32.050 31.700 -0.007 0.000 1.551 161 P HA -0.046 nan 4.420 nan 0.000 0.255 161 P C 0.451 177.735 177.300 -0.028 0.000 1.173 161 P CA 0.816 63.904 63.100 -0.020 0.000 0.780 161 P CB 0.052 31.741 31.700 -0.018 0.000 0.758 162 T N 3.110 117.642 114.554 -0.036 0.000 2.912 162 T HA 0.579 4.928 4.350 -0.001 0.000 0.280 162 T C -0.544 174.103 174.700 -0.088 0.000 0.989 162 T CA -0.743 61.325 62.100 -0.054 0.000 0.995 162 T CB 0.485 69.325 68.868 -0.047 0.000 1.077 162 T HN 0.410 nan 8.240 nan 0.000 0.531 163 K N 1.627 121.940 120.400 -0.146 0.000 2.535 163 K HA 0.622 4.942 4.320 -0.001 0.000 0.250 163 K C -1.496 174.837 176.600 -0.445 0.000 0.948 163 K CA -0.983 55.148 56.287 -0.260 0.000 0.796 163 K CB 1.769 34.094 32.500 -0.290 0.000 1.216 163 K HN 0.387 nan 8.250 nan 0.000 0.432 164 V N 4.192 123.879 119.914 -0.378 0.000 2.439 164 V HA 0.405 4.524 4.120 -0.001 0.000 0.282 164 V C -1.504 174.372 176.094 -0.363 0.000 1.039 164 V CA -0.432 61.679 62.300 -0.315 0.000 0.913 164 V CB 0.320 32.071 31.823 -0.120 0.000 0.983 164 V HN 0.652 nan 8.190 nan 0.000 0.460 165 Y N 5.692 126.034 120.300 0.070 0.000 2.341 165 Y HA 0.562 5.111 4.550 -0.001 0.000 0.340 165 Y C 0.356 176.296 175.900 0.067 0.000 0.997 165 Y CA -0.565 57.597 58.100 0.103 0.000 1.149 165 Y CB 0.925 39.474 38.460 0.148 0.000 1.171 165 Y HN 0.752 nan 8.280 nan 0.000 0.494 166 N N 1.321 120.121 118.700 0.167 0.000 2.312 166 N HA 0.292 5.031 4.740 -0.001 0.000 0.296 166 N C -1.248 174.295 175.510 0.055 0.000 1.193 166 N CA -1.140 51.965 53.050 0.092 0.000 0.773 166 N CB 0.975 39.494 38.487 0.052 0.000 1.435 166 N HN 0.457 nan 8.380 nan 0.000 0.484 167 N N 0.775 119.496 118.700 0.035 0.000 2.497 167 N HA 0.010 4.749 4.740 -0.001 0.000 0.271 167 N C -1.216 174.291 175.510 -0.005 0.000 1.142 167 N CA 0.241 53.292 53.050 0.002 0.000 0.965 167 N CB 0.663 39.159 38.487 0.015 0.000 1.077 167 N HN 0.552 nan 8.380 nan 0.000 0.462 168 D N 4.598 124.982 120.400 -0.026 0.000 2.499 168 D HA 0.121 4.760 4.640 -0.001 0.000 0.225 168 D C 1.469 177.760 176.300 -0.014 0.000 1.124 168 D CA -0.349 53.639 54.000 -0.018 0.000 0.938 168 D CB 0.282 41.065 40.800 -0.028 0.000 1.014 168 D HN 0.482 nan 8.370 nan 0.000 0.517 169 L N 1.846 123.069 121.223 -0.001 0.000 2.081 169 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 169 L C 2.288 179.161 176.870 0.005 0.000 1.080 169 L CA 1.662 56.505 54.840 0.006 0.000 0.754 169 L CB -0.491 41.575 42.059 0.012 0.000 0.893 169 L HN 0.419 nan 8.230 nan 0.000 0.433 170 T N -3.125 111.429 114.554 0.001 0.000 3.107 170 T HA 0.358 4.707 4.350 -0.001 0.000 0.249 170 T C 0.777 175.473 174.700 -0.006 0.000 1.096 170 T CA 0.125 62.225 62.100 0.001 0.000 1.012 170 T CB -0.055 68.814 68.868 0.001 0.000 0.977 170 T HN 0.201 nan 8.240 nan 0.000 0.527 171 A N 1.319 124.130 122.820 -0.015 0.000 2.406 171 A HA 0.604 4.924 4.320 -0.001 0.000 0.243 171 A C 0.317 177.887 177.584 -0.023 0.000 1.082 171 A CA -0.473 51.548 52.037 -0.026 0.000 0.786 171 A CB 0.248 19.225 19.000 -0.038 0.000 1.029 171 A HN 0.488 nan 8.150 nan 0.000 0.495 172 S N -0.202 115.479 115.700 -0.032 0.000 2.542 172 S HA 0.566 5.035 4.470 -0.001 0.000 0.293 172 S C -0.721 173.847 174.600 -0.053 0.000 1.089 172 S CA -0.531 57.651 58.200 -0.030 0.000 0.961 172 S CB 1.455 64.643 63.200 -0.020 0.000 1.062 172 S HN 0.805 nan 8.310 nan 0.000 0.483 173 L N 2.807 123.995 121.223 -0.058 0.000 2.343 173 L HA 0.635 4.975 4.340 -0.001 0.000 0.275 173 L C -0.865 175.950 176.870 -0.093 0.000 1.056 173 L CA -0.208 54.571 54.840 -0.102 0.000 0.804 173 L CB 0.720 42.689 42.059 -0.149 0.000 1.203 173 L HN 0.661 nan 8.230 nan 0.000 0.440 174 M N 5.283 124.817 119.600 -0.110 0.000 2.227 174 M HA 0.503 4.982 4.480 -0.001 0.000 0.335 174 M C -1.168 175.172 176.300 0.067 0.000 1.053 174 M CA -0.787 54.502 55.300 -0.018 0.000 0.973 174 M CB 1.764 34.330 32.600 -0.056 0.000 1.623 174 M HN 0.289 nan 8.290 nan 0.000 0.434 175 V N 2.355 122.300 119.914 0.050 0.000 2.495 175 V HA 0.856 4.975 4.120 -0.001 0.000 0.298 175 V C -0.399 175.681 176.094 -0.024 0.000 1.031 175 V CA -0.686 61.563 62.300 -0.085 0.000 0.871 175 V CB 1.779 33.314 31.823 -0.481 0.000 0.988 175 V HN 0.957 nan 8.190 nan 0.000 0.432 176 A N 4.893 127.700 122.820 -0.021 0.000 2.385 176 A HA 0.811 5.131 4.320 -0.001 0.000 0.290 176 A C -1.278 176.295 177.584 -0.019 0.000 1.094 176 A CA -0.458 51.550 52.037 -0.049 0.000 0.729 176 A CB 1.288 20.149 19.000 -0.232 0.000 1.194 176 A HN 0.961 nan 8.150 nan 0.000 0.442 177 L N 2.349 123.593 121.223 0.035 0.000 2.276 177 L HA 0.566 4.906 4.340 -0.001 0.000 0.286 177 L C -0.225 176.680 176.870 0.059 0.000 1.024 177 L CA -0.144 54.733 54.840 0.062 0.000 0.826 177 L CB 1.257 43.456 42.059 0.234 0.000 1.211 177 L HN 0.653 nan 8.230 nan 0.000 0.422 178 D N 1.994 122.419 120.400 0.042 0.000 2.671 178 D HA 0.024 4.664 4.640 -0.001 0.000 0.228 178 D C 1.250 177.554 176.300 0.007 0.000 1.102 178 D CA 0.650 54.674 54.000 0.039 0.000 1.044 178 D CB 0.411 41.283 40.800 0.119 0.000 1.113 178 D HN 0.669 nan 8.370 nan 0.000 0.480 179 S N 1.793 117.499 115.700 0.011 0.000 2.447 179 S HA -0.138 4.332 4.470 -0.001 0.000 0.233 179 S C 1.365 175.958 174.600 -0.011 0.000 1.006 179 S CA 0.255 58.449 58.200 -0.010 0.000 0.957 179 S CB -0.098 63.112 63.200 0.017 0.000 0.773 179 S HN 0.333 nan 8.310 nan 0.000 0.507 180 N N 2.167 120.865 118.700 -0.003 0.000 2.370 180 N HA 0.154 4.893 4.740 -0.001 0.000 0.198 180 N C -0.449 175.055 175.510 -0.010 0.000 1.156 180 N CA 0.025 53.074 53.050 -0.002 0.000 0.839 180 N CB -0.847 37.639 38.487 -0.001 0.000 0.989 180 N HN 0.561 nan 8.380 nan 0.000 0.468 181 N N -0.442 118.250 118.700 -0.013 0.000 2.686 181 N HA -0.195 4.545 4.740 -0.001 0.000 0.261 181 N C 0.345 175.841 175.510 -0.023 0.000 1.001 181 N CA 0.500 53.548 53.050 -0.003 0.000 0.764 181 N CB -0.409 38.075 38.487 -0.006 0.000 0.898 181 N HN 0.135 nan 8.380 nan 0.000 0.544 182 T N -0.454 114.064 114.554 -0.061 0.000 2.852 182 T HA 0.049 4.398 4.350 -0.001 0.000 0.256 182 T C 1.132 175.655 174.700 -0.296 0.000 1.038 182 T CA 0.551 62.576 62.100 -0.125 0.000 1.141 182 T CB 0.150 68.944 68.868 -0.124 0.000 0.869 182 T HN 0.242 nan 8.240 nan 0.000 0.439 183 M N 2.377 121.812 119.600 -0.275 0.000 2.226 183 M HA 0.260 4.740 4.480 -0.001 0.000 0.324 183 M C -2.355 173.841 176.300 -0.173 0.000 1.112 183 M CA -3.008 52.059 55.300 -0.389 0.000 1.176 183 M CB -0.849 31.604 32.600 -0.244 0.000 1.430 183 M HN -0.066 nan 8.290 nan 0.000 0.462 184 P HA 0.096 nan 4.420 nan 0.000 0.271 184 P C -0.715 176.784 177.300 0.333 0.000 1.216 184 P CA -0.204 62.947 63.100 0.085 0.000 0.771 184 P CB 0.164 31.887 31.700 0.039 0.000 0.864 185 F N 3.899 123.960 119.950 0.184 0.000 2.502 185 F HA 0.210 4.737 4.527 -0.001 0.000 0.371 185 F C 0.495 176.451 175.800 0.261 0.000 1.083 185 F CA 0.512 58.640 58.000 0.213 0.000 1.174 185 F CB 0.178 39.289 39.000 0.184 0.000 1.096 185 F HN 0.258 nan 8.300 nan 0.000 0.545 186 T N 5.063 119.520 114.554 -0.162 0.000 3.226 186 T HA 0.396 4.746 4.350 -0.001 0.000 0.378 186 T C -2.833 171.682 174.700 -0.308 0.000 1.380 186 T CA -2.197 59.851 62.100 -0.086 0.000 1.396 186 T CB 0.382 69.420 68.868 0.283 0.000 1.044 186 T HN 0.263 nan 8.240 nan 0.000 0.586 187 P HA 0.255 nan 4.420 nan 0.000 0.260 187 P C 1.003 178.185 177.300 -0.196 0.000 1.207 187 P CA -0.136 62.713 63.100 -0.420 0.000 0.780 187 P CB 0.313 31.837 31.700 -0.294 0.000 0.789 188 A N 4.351 127.065 122.820 -0.177 0.000 2.172 188 A HA -0.027 4.292 4.320 -0.001 0.000 0.216 188 A C 2.016 179.526 177.584 -0.122 0.000 1.154 188 A CA 1.445 53.415 52.037 -0.113 0.000 0.701 188 A CB -0.875 18.065 19.000 -0.101 0.000 0.789 188 A HN 0.498 nan 8.150 nan 0.000 0.465 189 A N -0.953 121.784 122.820 -0.138 0.000 2.119 189 A HA 0.061 4.380 4.320 -0.001 0.000 0.217 189 A C 1.862 179.421 177.584 -0.042 0.000 1.153 189 A CA 1.045 53.018 52.037 -0.107 0.000 0.692 189 A CB -0.385 18.555 19.000 -0.100 0.000 0.799 189 A HN 0.446 nan 8.150 nan 0.000 0.458 190 M N -0.734 118.845 119.600 -0.036 0.000 2.618 190 M HA 0.086 4.565 4.480 -0.001 0.000 0.240 190 M C 0.819 177.106 176.300 -0.022 0.000 1.123 190 M CA 0.644 55.935 55.300 -0.015 0.000 1.060 190 M CB -0.177 32.423 32.600 0.000 0.000 1.535 190 M HN 0.242 nan 8.290 nan 0.000 0.507 191 R N -1.048 119.433 120.500 -0.032 0.000 2.549 191 R HA 0.160 4.499 4.340 -0.001 0.000 0.344 191 R C 0.547 176.833 176.300 -0.022 0.000 0.979 191 R CA 0.039 56.126 56.100 -0.023 0.000 1.140 191 R CB 0.257 30.542 30.300 -0.025 0.000 1.377 191 R HN 0.252 nan 8.270 nan 0.000 0.541 192 S N 1.577 117.241 115.700 -0.059 0.000 3.797 192 S HA -0.165 4.304 4.470 -0.001 0.000 0.374 192 S C -0.072 174.427 174.600 -0.168 0.000 0.970 192 S CA 0.896 59.008 58.200 -0.147 0.000 1.177 192 S CB -1.055 62.172 63.200 0.045 0.000 0.891 192 S HN 0.548 nan 8.310 nan 0.000 0.491 193 E N 1.274 121.370 120.200 -0.174 0.000 3.385 193 E HA 0.148 4.498 4.350 -0.001 0.000 0.206 193 E C 0.585 177.114 176.600 -0.117 0.000 0.997 193 E CA 0.183 56.538 56.400 -0.074 0.000 1.278 193 E CB 0.785 30.466 29.700 -0.032 0.000 1.165 193 E HN 0.761 nan 8.360 nan 0.000 0.452 194 T N -2.124 112.281 114.554 -0.247 0.000 2.852 194 T HA 0.446 4.796 4.350 -0.001 0.000 0.281 194 T C 0.796 175.450 174.700 -0.078 0.000 0.993 194 T CA -0.792 61.193 62.100 -0.192 0.000 0.933 194 T CB 1.030 69.776 68.868 -0.204 0.000 1.187 194 T HN -0.016 nan 8.240 nan 0.000 0.559 195 L N 0.491 121.624 121.223 -0.150 0.000 2.474 195 L HA 0.460 4.800 4.340 -0.001 0.000 0.259 195 L C 1.471 178.317 176.870 -0.040 0.000 1.232 195 L CA -0.572 54.163 54.840 -0.174 0.000 0.821 195 L CB -0.154 41.675 42.059 -0.383 0.000 1.108 195 L HN 0.954 nan 8.230 nan 0.000 0.495 196 G N -0.718 108.008 108.800 -0.123 0.000 2.537 196 G HA2 0.255 4.214 3.960 -0.001 0.000 0.273 196 G HA3 0.255 4.214 3.960 -0.001 0.000 0.273 196 G C 0.037 174.923 174.900 -0.023 0.000 1.189 196 G CA -0.457 44.494 45.100 -0.248 0.000 0.881 196 G HN 0.434 nan 8.290 nan 0.000 0.535 197 F N -0.641 119.117 119.950 -0.319 0.000 2.797 197 F HA 0.271 4.798 4.527 -0.001 0.000 0.302 197 F C -0.055 175.354 175.800 -0.652 0.000 1.130 197 F CA -0.887 56.821 58.000 -0.487 0.000 1.387 197 F CB -0.856 37.774 39.000 -0.616 0.000 1.107 197 F HN 0.189 nan 8.300 nan 0.000 0.577 198 Y N -0.088 120.119 120.300 -0.154 0.000 2.350 198 Y HA 0.395 4.945 4.550 -0.001 0.000 0.338 198 Y C -1.703 173.936 175.900 -0.435 0.000 0.961 198 Y CA -3.138 54.645 58.100 -0.530 0.000 1.100 198 Y CB 0.780 38.625 38.460 -1.024 0.000 1.179 198 Y HN -0.253 nan 8.280 nan 0.000 0.454 199 P HA -0.115 nan 4.420 nan 0.000 0.223 199 P C 0.293 177.813 177.300 0.367 0.000 1.151 199 P CA 1.245 64.515 63.100 0.283 0.000 0.787 199 P CB -0.063 31.962 31.700 0.542 0.000 0.788 200 W N -0.324 121.140 121.300 0.274 0.000 3.194 200 W HA 0.514 5.174 4.660 -0.001 0.000 0.408 200 W C -0.061 176.519 176.519 0.102 0.000 1.072 200 W CA -0.868 56.574 57.345 0.162 0.000 1.953 200 W CB -0.392 29.136 29.460 0.113 0.000 1.091 200 W HN -0.219 nan 8.180 nan 0.000 0.699 201 K N 2.189 122.526 120.400 -0.105 0.000 2.535 201 K HA 0.409 4.728 4.320 -0.001 0.000 0.253 201 K C -2.549 174.002 176.600 -0.082 0.000 0.953 201 K CA -1.929 54.296 56.287 -0.103 0.000 0.863 201 K CB 1.402 33.782 32.500 -0.200 0.000 1.111 201 K HN -0.283 nan 8.250 nan 0.000 0.431 202 P HA -0.001 nan 4.420 nan 0.000 0.269 202 P C -0.641 176.560 177.300 -0.165 0.000 1.211 202 P CA -0.274 62.727 63.100 -0.165 0.000 0.781 202 P CB 0.950 32.535 31.700 -0.190 0.000 0.877 203 T N 0.046 114.486 114.554 -0.191 0.000 2.626 203 T HA 0.799 5.148 4.350 -0.001 0.000 0.279 203 T C -1.210 173.389 174.700 -0.169 0.000 0.983 203 T CA -0.785 61.209 62.100 -0.177 0.000 1.059 203 T CB 0.561 69.324 68.868 -0.176 0.000 1.396 203 T HN 0.412 nan 8.240 nan 0.000 0.519 204 I N -0.223 120.261 120.570 -0.144 0.000 2.918 204 I HA 0.729 4.898 4.170 -0.001 0.000 0.301 204 I C -3.053 173.012 176.117 -0.086 0.000 1.312 204 I CA -2.623 58.617 61.300 -0.099 0.000 1.007 204 I CB 2.493 40.469 38.000 -0.039 0.000 1.281 204 I HN 0.419 nan 8.210 nan 0.000 0.440 205 P HA 0.372 nan 4.420 nan 0.000 0.279 205 P C -0.680 176.635 177.300 0.025 0.000 1.276 205 P CA -0.090 63.004 63.100 -0.010 0.000 0.801 205 P CB 0.988 32.725 31.700 0.062 0.000 1.127 206 T N -3.185 111.402 114.554 0.054 0.000 2.925 206 T HA 0.527 4.877 4.350 -0.001 0.000 0.285 206 T C -2.714 172.081 174.700 0.159 0.000 1.021 206 T CA -2.605 59.543 62.100 0.081 0.000 1.042 206 T CB 0.579 69.494 68.868 0.078 0.000 1.037 206 T HN 0.167 nan 8.240 nan 0.000 0.481 207 P HA 0.118 nan 4.420 nan 0.000 0.267 207 P C -1.095 176.357 177.300 0.254 0.000 1.209 207 P CA -0.414 62.785 63.100 0.165 0.000 0.763 207 P CB 0.235 31.982 31.700 0.079 0.000 0.816 208 W N 6.896 128.287 121.300 0.151 0.000 2.287 208 W HA 0.306 4.965 4.660 -0.001 0.000 0.313 208 W C 0.094 176.692 176.519 0.133 0.000 1.267 208 W CA 0.010 57.466 57.345 0.185 0.000 1.201 208 W CB 0.539 30.188 29.460 0.315 0.000 1.196 208 W HN 0.332 nan 8.180 nan 0.000 0.536 209 R N 5.611 125.778 120.500 -0.555 0.000 2.740 209 R HA 0.565 4.905 4.340 -0.001 0.000 0.273 209 R C -1.984 173.857 176.300 -0.765 0.000 0.998 209 R CA -0.819 54.906 56.100 -0.625 0.000 0.900 209 R CB 1.407 31.505 30.300 -0.336 0.000 1.223 209 R HN 0.631 nan 8.270 nan 0.000 0.466 210 Y N -1.616 118.332 120.300 -0.586 0.000 2.562 210 Y HA 0.585 5.134 4.550 -0.001 0.000 0.345 210 Y C -1.333 174.500 175.900 -0.112 0.000 1.045 210 Y CA -1.818 56.049 58.100 -0.389 0.000 1.028 210 Y CB 0.681 38.916 38.460 -0.374 0.000 1.297 210 Y HN 0.444 nan 8.280 nan 0.000 0.463 211 Y N 2.285 122.769 120.300 0.307 0.000 2.497 211 Y HA 0.268 4.818 4.550 -0.001 0.000 0.334 211 Y C -0.378 175.826 175.900 0.506 0.000 1.199 211 Y CA -0.041 58.283 58.100 0.374 0.000 1.425 211 Y CB 0.315 39.013 38.460 0.397 0.000 1.291 211 Y HN 0.653 nan 8.280 nan 0.000 0.562 212 F N 3.685 123.942 119.950 0.511 0.000 2.467 212 F HA 0.288 4.815 4.527 -0.001 0.000 0.336 212 F C -0.074 176.028 175.800 0.503 0.000 1.123 212 F CA -1.105 57.135 58.000 0.400 0.000 0.964 212 F CB 0.962 40.100 39.000 0.229 0.000 1.136 212 F HN 0.392 nan 8.300 nan 0.000 0.447 213 Q N 5.553 125.264 119.800 -0.148 0.000 2.333 213 Q HA 0.059 4.398 4.340 -0.001 0.000 0.299 213 Q C -1.321 174.822 176.000 0.237 0.000 1.067 213 Q CA 0.659 56.418 55.803 -0.073 0.000 0.943 213 Q CB 0.707 29.261 28.738 -0.308 0.000 1.233 213 Q HN 0.784 nan 8.270 nan 0.000 0.401 214 W N 2.568 123.860 121.300 -0.013 0.000 3.074 214 W HA 0.520 5.179 4.660 -0.001 0.000 0.332 214 W C -1.634 174.784 176.519 -0.169 0.000 1.253 214 W CA -0.902 56.407 57.345 -0.059 0.000 1.180 214 W CB 0.942 30.445 29.460 0.070 0.000 1.445 214 W HN 0.310 nan 8.180 nan 0.000 0.573 215 D N 2.212 122.458 120.400 -0.256 0.000 2.425 215 D HA 0.385 5.024 4.640 -0.001 0.000 0.240 215 D C -0.743 175.347 176.300 -0.350 0.000 1.080 215 D CA -0.514 53.286 54.000 -0.334 0.000 0.836 215 D CB 1.698 42.380 40.800 -0.196 0.000 1.125 215 D HN 0.567 nan 8.370 nan 0.000 0.525 216 R N -0.464 119.861 120.500 -0.291 0.000 2.725 216 R HA 0.713 5.052 4.340 -0.001 0.000 0.277 216 R C -1.266 174.858 176.300 -0.293 0.000 0.987 216 R CA -0.670 55.307 56.100 -0.205 0.000 0.901 216 R CB 1.104 31.531 30.300 0.211 0.000 1.207 216 R HN -0.011 nan 8.270 nan 0.000 0.463 217 T N 3.307 117.702 114.554 -0.266 0.000 2.812 217 T HA 0.563 4.913 4.350 -0.001 0.000 0.282 217 T C -1.443 173.273 174.700 0.026 0.000 0.990 217 T CA -0.616 61.429 62.100 -0.091 0.000 0.960 217 T CB 1.143 70.030 68.868 0.032 0.000 0.948 217 T HN 0.513 nan 8.240 nan 0.000 0.438 218 L N 4.985 126.220 121.223 0.020 0.000 2.446 218 L HA 0.580 4.919 4.340 -0.001 0.000 0.268 218 L C -1.401 175.474 176.870 0.009 0.000 0.975 218 L CA -0.653 54.202 54.840 0.025 0.000 0.848 218 L CB 0.968 43.043 42.059 0.028 0.000 1.225 218 L HN 0.534 nan 8.230 nan 0.000 0.410 219 I N 6.914 127.488 120.570 0.007 0.000 2.342 219 I HA 0.379 4.548 4.170 -0.001 0.000 0.291 219 I C -1.842 174.264 176.117 -0.019 0.000 1.010 219 I CA -1.696 59.601 61.300 -0.004 0.000 1.308 219 I CB 1.228 39.229 38.000 0.001 0.000 1.400 219 I HN 0.487 nan 8.210 nan 0.000 0.488 220 P HA 0.194 nan 4.420 nan 0.000 0.270 220 P C -0.454 176.823 177.300 -0.039 0.000 1.223 220 P CA 0.005 63.087 63.100 -0.032 0.000 0.785 220 P CB 1.037 32.724 31.700 -0.023 0.000 0.923 221 S N -0.077 115.594 115.700 -0.049 0.000 2.757 221 S HA 0.717 5.186 4.470 -0.001 0.000 0.285 221 S C -1.038 173.532 174.600 -0.050 0.000 1.196 221 S CA -0.728 57.406 58.200 -0.109 0.000 0.856 221 S CB 1.414 64.528 63.200 -0.143 0.000 1.212 221 S HN 0.859 nan 8.310 nan 0.000 0.516 222 H N -1.842 117.218 119.070 -0.017 0.000 2.977 222 H HA 0.705 5.260 4.556 -0.001 0.000 0.350 222 H C -0.635 174.685 175.328 -0.014 0.000 1.238 222 H CA -0.680 55.357 56.048 -0.018 0.000 1.124 222 H CB 0.456 30.210 29.762 -0.014 0.000 1.866 222 H HN 0.575 nan 8.280 nan 0.000 0.550 223 T N 1.552 116.254 114.554 0.247 0.000 2.765 223 T HA 0.294 4.644 4.350 -0.001 0.000 0.275 223 T C 1.031 175.873 174.700 0.237 0.000 1.007 223 T CA 2.119 64.314 62.100 0.159 0.000 1.175 223 T CB -1.032 67.896 68.868 0.099 0.000 0.993 223 T HN 1.377 nan 8.240 nan 0.000 0.510 224 G N 3.999 112.854 108.800 0.093 0.000 2.392 224 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.290 224 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.290 224 G C 0.005 174.930 174.900 0.041 0.000 1.032 224 G CA -0.098 45.055 45.100 0.088 0.000 1.269 224 G HN 0.875 nan 8.290 nan 0.000 0.511 225 T N 0.913 115.367 114.554 -0.166 0.000 2.833 225 T HA 0.611 4.961 4.350 -0.001 0.000 0.297 225 T C 0.517 175.141 174.700 -0.126 0.000 1.015 225 T CA 0.078 61.987 62.100 -0.318 0.000 0.963 225 T CB 1.435 70.020 68.868 -0.473 0.000 0.955 225 T HN 1.290 nan 8.240 nan 0.000 0.449 226 S N 2.528 118.182 115.700 -0.076 0.000 2.533 226 S HA 0.634 5.103 4.470 -0.001 0.000 0.282 226 S C 0.963 175.536 174.600 -0.045 0.000 1.304 226 S CA 0.162 58.337 58.200 -0.041 0.000 1.063 226 S CB 0.253 63.441 63.200 -0.020 0.000 0.881 226 S HN 1.584 nan 8.310 nan 0.000 0.493 227 G N 2.057 110.837 108.800 -0.034 0.000 2.582 227 G HA2 0.136 4.096 3.960 -0.001 0.000 0.222 227 G HA3 0.136 4.096 3.960 -0.001 0.000 0.222 227 G C -0.403 174.478 174.900 -0.032 0.000 1.311 227 G CA -0.451 44.632 45.100 -0.029 0.000 0.915 227 G HN 1.970 nan 8.290 nan 0.000 0.528 228 T N 0.123 114.662 114.554 -0.024 0.000 2.963 228 T HA 0.647 4.996 4.350 -0.001 0.000 0.328 228 T C -2.335 172.355 174.700 -0.016 0.000 1.048 228 T CA -0.874 61.213 62.100 -0.021 0.000 1.033 228 T CB 1.624 70.485 68.868 -0.012 0.000 1.010 228 T HN 0.653 nan 8.240 nan 0.000 0.469 229 P HA 0.163 nan 4.420 nan 0.000 0.266 229 P C 0.545 177.846 177.300 0.003 0.000 1.193 229 P CA -0.093 62.997 63.100 -0.017 0.000 0.770 229 P CB 0.209 31.891 31.700 -0.030 0.000 0.836 230 T N -0.544 114.018 114.554 0.014 0.000 2.888 230 T HA 0.153 4.503 4.350 -0.001 0.000 0.301 230 T C 0.172 174.900 174.700 0.047 0.000 1.001 230 T CA -0.501 61.621 62.100 0.037 0.000 1.147 230 T CB -0.098 68.801 68.868 0.051 0.000 0.931 230 T HN 0.411 nan 8.240 nan 0.000 0.541 231 N N 3.185 121.922 118.700 0.062 0.000 2.707 231 N HA 0.353 5.092 4.740 -0.001 0.000 0.249 231 N C -1.757 173.820 175.510 0.112 0.000 1.299 231 N CA -0.754 52.338 53.050 0.071 0.000 0.769 231 N CB 0.074 38.587 38.487 0.043 0.000 1.236 231 N HN 0.672 nan 8.380 nan 0.000 0.524 232 I N 1.812 122.482 120.570 0.166 0.000 2.509 232 I HA 0.333 4.502 4.170 -0.001 0.000 0.293 232 I C -0.760 175.541 176.117 0.307 0.000 1.020 232 I CA -1.071 60.386 61.300 0.261 0.000 1.088 232 I CB 1.469 39.705 38.000 0.393 0.000 1.267 232 I HN 0.296 nan 8.210 nan 0.000 0.430 233 Y N 5.072 125.495 120.300 0.204 0.000 2.504 233 Y HA 0.354 4.903 4.550 -0.001 0.000 0.339 233 Y C 0.894 176.965 175.900 0.285 0.000 0.974 233 Y CA -0.098 58.113 58.100 0.185 0.000 1.232 233 Y CB 0.282 38.808 38.460 0.111 0.000 1.108 233 Y HN 0.666 nan 8.280 nan 0.000 0.509 234 H N 3.692 122.657 119.070 -0.174 0.000 2.395 234 H HA 0.206 4.762 4.556 -0.001 0.000 0.299 234 H C 1.306 176.513 175.328 -0.202 0.000 1.070 234 H CA 0.260 56.232 56.048 -0.126 0.000 1.356 234 H CB 0.389 30.091 29.762 -0.100 0.000 1.401 234 H HN 0.866 nan 8.280 nan 0.000 0.524 235 G N -0.044 108.486 108.800 -0.450 0.000 2.265 235 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.246 235 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.246 235 G C -0.970 173.896 174.900 -0.057 0.000 1.299 235 G CA -0.379 44.623 45.100 -0.162 0.000 1.117 235 G HN 0.168 nan 8.290 nan 0.000 0.485 236 T N 1.491 116.098 114.554 0.088 0.000 2.779 236 T HA 0.520 4.870 4.350 -0.001 0.000 0.280 236 T C -0.514 174.196 174.700 0.016 0.000 0.987 236 T CA -0.238 61.910 62.100 0.081 0.000 0.966 236 T CB 1.679 70.677 68.868 0.216 0.000 0.933 236 T HN 0.660 nan 8.240 nan 0.000 0.442 237 D N 4.346 124.718 120.400 -0.047 0.000 2.348 237 D HA 0.072 4.711 4.640 -0.001 0.000 0.253 237 D C -1.277 174.996 176.300 -0.044 0.000 1.161 237 D CA -2.008 51.964 54.000 -0.047 0.000 0.876 237 D CB 1.666 42.426 40.800 -0.066 0.000 1.160 237 D HN 0.143 nan 8.370 nan 0.000 0.459 238 P HA -0.123 nan 4.420 nan 0.000 0.216 238 P C 0.466 177.749 177.300 -0.029 0.000 1.153 238 P CA 0.997 64.093 63.100 -0.005 0.000 0.848 238 P CB 0.248 31.955 31.700 0.011 0.000 0.787 239 D N -0.113 120.266 120.400 -0.035 0.000 2.392 239 D HA -0.077 4.562 4.640 -0.001 0.000 0.228 239 D C 0.567 176.827 176.300 -0.067 0.000 1.003 239 D CA 0.695 54.670 54.000 -0.041 0.000 0.917 239 D CB -0.268 40.511 40.800 -0.035 0.000 0.890 239 D HN 0.275 nan 8.370 nan 0.000 0.532 240 D N 0.316 120.658 120.400 -0.097 0.000 2.433 240 D HA 0.056 4.695 4.640 -0.001 0.000 0.211 240 D C 0.295 176.484 176.300 -0.186 0.000 1.114 240 D CA -0.028 53.892 54.000 -0.133 0.000 0.837 240 D CB 1.414 42.125 40.800 -0.148 0.000 0.984 240 D HN -0.014 nan 8.370 nan 0.000 0.505 241 V N 1.907 121.715 119.914 -0.176 0.000 2.470 241 V HA 0.109 4.228 4.120 -0.001 0.000 0.276 241 V C 0.274 176.283 176.094 -0.142 0.000 1.040 241 V CA 0.229 62.392 62.300 -0.230 0.000 1.008 241 V CB 0.882 32.664 31.823 -0.069 0.000 0.990 241 V HN 0.003 nan 8.190 nan 0.000 0.477 242 Q N 4.887 124.582 119.800 -0.175 0.000 2.695 242 Q HA 0.323 4.663 4.340 -0.001 0.000 0.246 242 Q C -1.109 174.826 176.000 -0.109 0.000 0.961 242 Q CA -0.506 55.172 55.803 -0.207 0.000 0.708 242 Q CB 1.930 30.462 28.738 -0.343 0.000 1.282 242 Q HN 0.696 nan 8.270 nan 0.000 0.482 243 F N 3.022 122.912 119.950 -0.099 0.000 2.421 243 F HA 0.371 4.898 4.527 -0.001 0.000 0.358 243 F C -1.413 174.291 175.800 -0.160 0.000 1.115 243 F CA -0.850 57.183 58.000 0.056 0.000 1.160 243 F CB 0.205 39.272 39.000 0.112 0.000 1.123 243 F HN 0.281 nan 8.300 nan 0.000 0.508 244 Y N 2.947 123.217 120.300 -0.050 0.000 2.409 244 Y HA 0.531 5.080 4.550 -0.001 0.000 0.339 244 Y C 0.408 176.016 175.900 -0.486 0.000 1.033 244 Y CA -0.902 57.004 58.100 -0.323 0.000 1.094 244 Y CB 1.896 40.213 38.460 -0.238 0.000 1.210 244 Y HN 0.638 nan 8.280 nan 0.000 0.456 245 T N -0.021 114.304 114.554 -0.383 0.000 2.863 245 T HA 0.461 4.811 4.350 -0.001 0.000 0.285 245 T C 0.596 175.214 174.700 -0.136 0.000 1.009 245 T CA -0.758 61.081 62.100 -0.434 0.000 0.989 245 T CB 1.075 69.560 68.868 -0.639 0.000 1.004 245 T HN 0.476 nan 8.240 nan 0.000 0.455 246 I N 1.314 121.852 120.570 -0.054 0.000 2.163 246 I HA -0.062 4.108 4.170 -0.001 0.000 0.240 246 I C 2.435 178.437 176.117 -0.191 0.000 1.081 246 I CA 1.325 62.409 61.300 -0.361 0.000 1.353 246 I CB -1.261 36.094 38.000 -1.076 0.000 1.054 246 I HN 0.745 nan 8.210 nan 0.000 0.407 247 E N 1.240 121.450 120.200 0.015 0.000 2.114 247 E HA -0.253 4.097 4.350 -0.001 0.000 0.199 247 E C 1.854 178.455 176.600 0.002 0.000 1.008 247 E CA 1.754 58.201 56.400 0.078 0.000 0.810 247 E CB -0.508 29.308 29.700 0.193 0.000 0.739 247 E HN 0.523 nan 8.360 nan 0.000 0.456 248 N N -1.261 117.416 118.700 -0.038 0.000 2.446 248 N HA 0.060 4.799 4.740 -0.001 0.000 0.179 248 N C 1.083 176.558 175.510 -0.058 0.000 1.054 248 N CA 0.734 53.753 53.050 -0.051 0.000 0.905 248 N CB 0.352 38.785 38.487 -0.088 0.000 0.973 248 N HN -0.065 nan 8.380 nan 0.000 0.448 249 S N -0.856 114.794 115.700 -0.082 0.000 2.599 249 S HA 0.235 4.704 4.470 -0.001 0.000 0.236 249 S C 0.309 174.858 174.600 -0.086 0.000 1.077 249 S CA -0.187 57.966 58.200 -0.079 0.000 0.906 249 S CB 0.921 64.061 63.200 -0.100 0.000 0.804 249 S HN -0.100 nan 8.310 nan 0.000 0.497 250 V N 3.377 123.222 119.914 -0.116 0.000 2.715 250 V HA 0.467 4.586 4.120 -0.001 0.000 0.310 250 V C -2.718 173.319 176.094 -0.095 0.000 1.054 250 V CA -2.260 59.978 62.300 -0.103 0.000 0.928 250 V CB 1.265 32.998 31.823 -0.149 0.000 1.007 250 V HN 0.087 nan 8.190 nan 0.000 0.437 251 P HA 0.327 nan 4.420 nan 0.000 0.276 251 P C -0.904 176.283 177.300 -0.188 0.000 1.235 251 P CA -0.147 62.880 63.100 -0.122 0.000 0.772 251 P CB 0.788 32.417 31.700 -0.117 0.000 0.871 252 V N 4.190 124.003 119.914 -0.168 0.000 2.483 252 V HA 0.261 4.381 4.120 -0.001 0.000 0.295 252 V C -0.005 175.960 176.094 -0.214 0.000 1.035 252 V CA -0.528 61.710 62.300 -0.104 0.000 0.896 252 V CB 0.793 32.678 31.823 0.102 0.000 0.986 252 V HN 0.555 nan 8.190 nan 0.000 0.447 253 H N 4.141 123.236 119.070 0.042 0.000 2.488 253 H HA 0.588 5.144 4.556 -0.001 0.000 0.322 253 H C -0.597 174.741 175.328 0.017 0.000 1.078 253 H CA -0.459 55.609 56.048 0.034 0.000 1.260 253 H CB 1.209 30.979 29.762 0.014 0.000 1.425 253 H HN 0.491 nan 8.280 nan 0.000 0.471 254 L N 5.295 126.602 121.223 0.139 0.000 2.257 254 L HA 0.332 4.671 4.340 -0.001 0.000 0.290 254 L C -0.648 176.264 176.870 0.070 0.000 1.044 254 L CA -0.387 54.496 54.840 0.071 0.000 0.810 254 L CB 0.541 42.626 42.059 0.043 0.000 1.193 254 L HN 0.370 nan 8.230 nan 0.000 0.425 255 L N 3.544 124.786 121.223 0.032 0.000 2.329 255 L HA 0.639 4.978 4.340 -0.001 0.000 0.279 255 L C 0.048 176.931 176.870 0.022 0.000 1.014 255 L CA -0.744 54.118 54.840 0.038 0.000 0.814 255 L CB 1.625 43.703 42.059 0.031 0.000 1.257 255 L HN 0.630 nan 8.230 nan 0.000 0.424 256 R N 0.375 120.896 120.500 0.035 0.000 2.705 256 R HA 0.417 4.757 4.340 -0.001 0.000 0.246 256 R C 0.998 177.326 176.300 0.046 0.000 1.142 256 R CA -0.675 55.443 56.100 0.030 0.000 1.114 256 R CB 1.054 31.370 30.300 0.027 0.000 1.256 256 R HN 0.589 nan 8.270 nan 0.000 0.536 257 T N 0.163 114.746 114.554 0.048 0.000 2.699 257 T HA -0.183 4.167 4.350 -0.001 0.000 0.268 257 T C 1.794 176.544 174.700 0.083 0.000 1.036 257 T CA 1.815 63.957 62.100 0.070 0.000 1.147 257 T CB -0.495 68.410 68.868 0.062 0.000 0.862 257 T HN 0.858 nan 8.240 nan 0.000 0.446 258 G N 1.748 110.587 108.800 0.064 0.000 2.471 258 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.219 258 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.219 258 G C 0.455 175.397 174.900 0.070 0.000 1.125 258 G CA 0.307 45.444 45.100 0.063 0.000 0.775 258 G HN 0.406 nan 8.290 nan 0.000 0.548 259 D N -0.300 120.145 120.400 0.075 0.000 2.411 259 D HA 0.444 5.084 4.640 -0.001 0.000 0.251 259 D C 0.017 176.386 176.300 0.115 0.000 1.201 259 D CA 0.056 54.105 54.000 0.082 0.000 0.996 259 D CB 1.366 42.211 40.800 0.075 0.000 1.101 259 D HN 0.152 nan 8.370 nan 0.000 0.504 260 E N -0.233 120.038 120.200 0.118 0.000 2.430 260 E HA 0.440 4.790 4.350 -0.001 0.000 0.279 260 E C -1.966 174.739 176.600 0.175 0.000 1.003 260 E CA -0.655 55.842 56.400 0.161 0.000 0.801 260 E CB 2.334 32.110 29.700 0.127 0.000 1.313 260 E HN 0.302 nan 8.360 nan 0.000 0.459 261 F N 0.984 120.941 119.950 0.012 0.000 2.619 261 F HA 0.741 5.267 4.527 -0.001 0.000 0.308 261 F C -1.923 173.855 175.800 -0.037 0.000 1.097 261 F CA -0.186 57.774 58.000 -0.066 0.000 0.953 261 F CB 1.975 40.913 39.000 -0.103 0.000 1.287 261 F HN 0.497 nan 8.300 nan 0.000 0.446 262 A N 3.468 125.734 122.820 -0.924 0.000 2.437 262 A HA 0.583 4.903 4.320 -0.001 0.000 0.293 262 A C -0.857 176.146 177.584 -0.968 0.000 1.038 262 A CA -0.597 51.035 52.037 -0.675 0.000 0.708 262 A CB 1.205 19.992 19.000 -0.354 0.000 1.251 262 A HN 0.721 nan 8.150 nan 0.000 0.409 263 T N 1.759 115.932 114.554 -0.634 0.000 2.926 263 T HA 0.459 4.809 4.350 -0.001 0.000 0.307 263 T C 1.232 175.741 174.700 -0.318 0.000 1.059 263 T CA 1.098 62.973 62.100 -0.375 0.000 1.122 263 T CB 0.903 69.678 68.868 -0.154 0.000 0.972 263 T HN 1.037 nan 8.240 nan 0.000 0.545 264 G N 1.580 110.239 108.800 -0.235 0.000 2.666 264 G HA2 0.373 4.333 3.960 -0.001 0.000 0.207 264 G HA3 0.373 4.333 3.960 -0.001 0.000 0.207 264 G C -0.256 174.500 174.900 -0.240 0.000 1.481 264 G CA -0.426 44.545 45.100 -0.215 0.000 1.071 264 G HN 0.640 nan 8.290 nan 0.000 0.572 265 T N 0.600 115.018 114.554 -0.226 0.000 2.780 265 T HA 0.399 4.749 4.350 -0.001 0.000 0.294 265 T C -1.088 173.371 174.700 -0.402 0.000 0.949 265 T CA 0.074 61.950 62.100 -0.373 0.000 1.074 265 T CB 0.630 69.225 68.868 -0.456 0.000 0.910 265 T HN 0.295 nan 8.240 nan 0.000 0.501 266 F N 4.151 123.700 119.950 -0.669 0.000 2.443 266 F HA 0.673 5.199 4.527 -0.001 0.000 0.335 266 F C -1.404 173.855 175.800 -0.902 0.000 1.104 266 F CA -1.566 56.070 58.000 -0.606 0.000 1.013 266 F CB 0.662 39.332 39.000 -0.549 0.000 1.136 266 F HN 0.426 nan 8.300 nan 0.000 0.470 267 F N 5.998 125.204 119.950 -1.241 0.000 2.421 267 F HA 0.488 5.015 4.527 -0.001 0.000 0.337 267 F C -0.583 174.395 175.800 -1.370 0.000 1.105 267 F CA -0.557 56.864 58.000 -0.966 0.000 1.049 267 F CB 0.917 39.577 39.000 -0.567 0.000 1.139 267 F HN 0.268 nan 8.300 nan 0.000 0.479 268 F N 0.752 120.415 119.950 -0.479 0.000 2.380 268 F HA 0.330 4.856 4.527 -0.001 0.000 0.319 268 F C 0.201 175.887 175.800 -0.191 0.000 1.113 268 F CA -1.122 56.700 58.000 -0.297 0.000 1.056 268 F CB 0.610 39.498 39.000 -0.187 0.000 1.289 268 F HN 0.348 nan 8.300 nan 0.000 0.515 269 D N 0.286 120.761 120.400 0.124 0.000 2.458 269 D HA 0.388 5.027 4.640 -0.001 0.000 0.258 269 D C -1.197 175.158 176.300 0.092 0.000 1.134 269 D CA -0.233 53.805 54.000 0.064 0.000 0.915 269 D CB 0.289 41.111 40.800 0.035 0.000 1.028 269 D HN 0.332 nan 8.370 nan 0.000 0.508 270 C N 1.889 121.244 119.300 0.093 0.000 2.783 270 C HA 0.464 4.924 4.460 -0.001 0.000 0.312 270 C C 0.150 175.219 174.990 0.132 0.000 1.182 270 C CA -1.182 57.910 59.018 0.124 0.000 1.432 270 C CB 1.769 29.606 27.740 0.162 0.000 1.933 270 C HN 0.418 nan 8.230 nan 0.000 0.473 271 K N 2.086 122.552 120.400 0.109 0.000 2.380 271 K HA 0.320 4.639 4.320 -0.001 0.000 0.267 271 K C -2.418 174.223 176.600 0.068 0.000 0.990 271 K CA -0.530 55.798 56.287 0.069 0.000 0.946 271 K CB -0.173 32.353 32.500 0.044 0.000 0.937 271 K HN 0.412 nan 8.250 nan 0.000 0.491 272 P HA -0.014 nan 4.420 nan 0.000 0.272 272 P C -0.580 176.687 177.300 -0.054 0.000 1.230 272 P CA -0.641 62.330 63.100 -0.215 0.000 0.788 272 P CB 0.596 31.885 31.700 -0.685 0.000 0.949 273 C N 3.206 122.504 119.300 -0.004 0.000 2.295 273 C HA 0.395 4.855 4.460 -0.001 0.000 0.331 273 C C 0.552 175.535 174.990 -0.011 0.000 1.280 273 C CA -0.594 58.375 59.018 -0.082 0.000 1.746 273 C CB -0.583 27.021 27.740 -0.227 0.000 2.328 273 C HN 0.478 nan 8.230 nan 0.000 0.521 274 R N 4.566 125.053 120.500 -0.020 0.000 2.410 274 R HA 0.362 4.701 4.340 -0.001 0.000 0.288 274 R C 0.114 176.406 176.300 -0.015 0.000 1.051 274 R CA -0.379 55.719 56.100 -0.003 0.000 1.021 274 R CB 0.808 31.111 30.300 0.006 0.000 1.032 274 R HN 0.750 nan 8.270 nan 0.000 0.481 275 L N 1.960 123.163 121.223 -0.033 0.000 2.872 275 L HA 0.141 4.480 4.340 -0.001 0.000 0.245 275 L C 0.009 176.847 176.870 -0.054 0.000 1.211 275 L CA 0.011 54.811 54.840 -0.068 0.000 1.013 275 L CB 0.341 42.324 42.059 -0.128 0.000 1.326 275 L HN 0.771 nan 8.230 nan 0.000 0.525 276 T N -3.858 110.680 114.554 -0.027 0.000 2.906 276 T HA 0.427 4.776 4.350 -0.001 0.000 0.295 276 T C -0.500 174.206 174.700 0.011 0.000 1.061 276 T CA -0.726 61.344 62.100 -0.050 0.000 1.000 276 T CB 2.124 70.940 68.868 -0.087 0.000 1.103 276 T HN 0.185 nan 8.240 nan 0.000 0.486 277 H N 0.124 119.213 119.070 0.031 0.000 2.567 277 H HA 0.694 5.249 4.556 -0.001 0.000 0.345 277 H C -0.421 174.970 175.328 0.105 0.000 1.169 277 H CA -0.749 55.348 56.048 0.082 0.000 1.227 277 H CB 1.468 31.306 29.762 0.128 0.000 1.607 277 H HN 0.873 nan 8.280 nan 0.000 0.534 278 T N -0.623 114.058 114.554 0.211 0.000 2.934 278 T HA 0.237 4.587 4.350 -0.001 0.000 0.283 278 T C 0.722 175.621 174.700 0.332 0.000 1.005 278 T CA -0.817 61.338 62.100 0.091 0.000 1.041 278 T CB 1.294 70.152 68.868 -0.018 0.000 1.042 278 T HN 0.966 nan 8.240 nan 0.000 0.505 279 W N -0.108 121.306 121.300 0.191 0.000 2.520 279 W HA 0.282 4.941 4.660 -0.001 0.000 0.272 279 W C -0.303 176.285 176.519 0.115 0.000 0.984 279 W CA -0.658 56.798 57.345 0.184 0.000 1.314 279 W CB 0.051 29.638 29.460 0.211 0.000 0.945 279 W HN 0.520 nan 8.180 nan 0.000 0.596 280 Q N 2.845 122.263 119.800 -0.637 0.000 2.297 280 Q HA 0.238 4.577 4.340 -0.001 0.000 0.267 280 Q C -0.008 175.921 176.000 -0.119 0.000 1.006 280 Q CA 0.812 56.294 55.803 -0.535 0.000 0.896 280 Q CB 1.600 29.890 28.738 -0.747 0.000 1.186 280 Q HN -0.202 nan 8.270 nan 0.000 0.392 281 T N 1.852 116.418 114.554 0.021 0.000 2.927 281 T HA 0.077 4.427 4.350 -0.001 0.000 0.281 281 T C 1.064 175.776 174.700 0.020 0.000 0.998 281 T CA -0.695 61.434 62.100 0.049 0.000 1.019 281 T CB 0.800 69.735 68.868 0.113 0.000 1.061 281 T HN 0.565 nan 8.240 nan 0.000 0.518 282 N N 0.781 119.490 118.700 0.016 0.000 2.184 282 N HA -0.103 4.637 4.740 -0.001 0.000 0.190 282 N C 1.832 177.356 175.510 0.023 0.000 1.011 282 N CA 0.958 54.007 53.050 -0.002 0.000 0.867 282 N CB -0.018 38.469 38.487 0.001 0.000 0.993 282 N HN 0.239 nan 8.380 nan 0.000 0.433 283 R N -0.027 120.506 120.500 0.054 0.000 2.285 283 R HA 0.086 4.425 4.340 -0.001 0.000 0.213 283 R C 0.256 176.615 176.300 0.098 0.000 1.068 283 R CA 0.538 56.683 56.100 0.076 0.000 1.004 283 R CB -0.278 30.077 30.300 0.092 0.000 0.873 283 R HN 0.173 nan 8.270 nan 0.000 0.467 284 A N 0.339 123.219 122.820 0.101 0.000 2.749 284 A HA 0.355 4.675 4.320 -0.001 0.000 0.299 284 A C -0.167 177.464 177.584 0.079 0.000 1.105 284 A CA -0.408 51.710 52.037 0.135 0.000 0.987 284 A CB 0.290 19.443 19.000 0.255 0.000 1.180 284 A HN 0.034 nan 8.150 nan 0.000 0.528 285 L N 0.587 121.857 121.223 0.079 0.000 2.305 285 L HA 0.650 4.989 4.340 -0.001 0.000 0.284 285 L C 0.943 177.937 176.870 0.207 0.000 1.013 285 L CA 0.067 54.986 54.840 0.131 0.000 0.819 285 L CB 1.354 43.411 42.059 -0.004 0.000 1.227 285 L HN 0.675 nan 8.230 nan 0.000 0.417 286 G N 2.616 111.588 108.800 0.286 0.000 2.632 286 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.224 286 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.224 286 G C -0.907 174.065 174.900 0.120 0.000 1.341 286 G CA -0.758 44.470 45.100 0.213 0.000 0.880 286 G HN 0.498 nan 8.290 nan 0.000 0.566 287 L N 2.885 124.168 121.223 0.100 0.000 2.433 287 L HA 0.513 4.852 4.340 -0.001 0.000 0.275 287 L C -0.981 175.945 176.870 0.093 0.000 1.128 287 L CA -0.881 54.010 54.840 0.085 0.000 0.875 287 L CB -0.007 42.097 42.059 0.074 0.000 1.171 287 L HN 0.588 nan 8.230 nan 0.000 0.463 288 P HA 0.275 nan 4.420 nan 0.000 0.273 288 P C -2.665 174.693 177.300 0.098 0.000 1.250 288 P CA -1.105 62.049 63.100 0.089 0.000 0.793 288 P CB -0.529 31.219 31.700 0.080 0.000 1.011 289 P HA 0.124 nan 4.420 nan 0.000 0.275 289 P C -0.737 176.642 177.300 0.130 0.000 1.227 289 P CA -0.241 62.925 63.100 0.109 0.000 0.781 289 P CB 0.316 32.064 31.700 0.079 0.000 0.906 290 F N 3.759 123.729 119.950 0.034 0.000 2.504 290 F HA 0.192 4.719 4.527 -0.001 0.000 0.369 290 F C -0.074 175.745 175.800 0.031 0.000 1.082 290 F CA -0.388 57.630 58.000 0.030 0.000 1.216 290 F CB 0.090 39.106 39.000 0.026 0.000 1.108 290 F HN 0.101 nan 8.300 nan 0.000 0.554 291 L N 7.462 128.230 121.223 -0.759 0.000 2.313 291 L HA 0.212 4.552 4.340 -0.001 0.000 0.282 291 L C 1.013 177.444 176.870 -0.731 0.000 1.092 291 L CA -0.359 54.165 54.840 -0.527 0.000 0.831 291 L CB 0.466 42.330 42.059 -0.326 0.000 1.159 291 L HN 0.669 nan 8.230 nan 0.000 0.442 292 N N 1.332 119.870 118.700 -0.269 0.000 2.412 292 N HA -0.025 4.714 4.740 -0.001 0.000 0.184 292 N C 0.074 175.541 175.510 -0.071 0.000 1.101 292 N CA 0.243 53.245 53.050 -0.079 0.000 0.881 292 N CB 0.578 39.112 38.487 0.079 0.000 0.969 292 N HN 0.699 nan 8.380 nan 0.000 0.459 293 S N 0.041 115.679 115.700 -0.102 0.000 2.575 293 S HA 0.545 5.015 4.470 -0.001 0.000 0.278 293 S C -0.854 173.706 174.600 -0.067 0.000 1.139 293 S CA -0.889 57.279 58.200 -0.053 0.000 0.954 293 S CB 1.638 64.829 63.200 -0.016 0.000 1.054 293 S HN -0.016 nan 8.310 nan 0.000 0.483 294 L N 2.807 123.996 121.223 -0.055 0.000 2.334 294 L HA 0.620 4.959 4.340 -0.001 0.000 0.276 294 L C -2.269 174.586 176.870 -0.026 0.000 1.014 294 L CA -2.599 52.213 54.840 -0.047 0.000 0.815 294 L CB 1.911 43.937 42.059 -0.055 0.000 1.268 294 L HN 0.498 nan 8.230 nan 0.000 0.428 295 P HA 0.000 nan 4.420 nan 0.000 0.264 295 P C -0.405 176.879 177.300 -0.027 0.000 1.183 295 P CA -0.137 62.949 63.100 -0.024 0.000 0.763 295 P CB 0.788 32.475 31.700 -0.022 0.000 0.807 296 Q N 0.099 119.880 119.800 -0.031 0.000 2.391 296 Q HA 0.131 4.470 4.340 -0.001 0.000 0.211 296 Q C 0.654 176.636 176.000 -0.030 0.000 0.908 296 Q CA 0.745 56.532 55.803 -0.026 0.000 0.920 296 Q CB 0.389 29.113 28.738 -0.023 0.000 1.056 296 Q HN 0.456 nan 8.270 nan 0.000 0.523 297 S N -0.040 115.636 115.700 -0.039 0.000 2.570 297 S HA 0.350 4.820 4.470 -0.001 0.000 0.286 297 S C -0.954 173.618 174.600 -0.047 0.000 1.099 297 S CA -0.592 57.583 58.200 -0.042 0.000 0.913 297 S CB 1.294 64.466 63.200 -0.047 0.000 1.085 297 S HN 0.030 nan 8.310 nan 0.000 0.480 298 E N 0.785 120.960 120.200 -0.041 0.000 2.390 298 E HA 0.529 4.878 4.350 -0.001 0.000 0.261 298 E C 0.059 176.625 176.600 -0.056 0.000 1.076 298 E CA -0.344 56.031 56.400 -0.041 0.000 0.905 298 E CB 0.901 30.583 29.700 -0.030 0.000 0.984 298 E HN 0.830 nan 8.360 nan 0.000 0.427 299 G N -0.112 108.651 108.800 -0.061 0.000 2.146 299 G HA2 0.219 4.179 3.960 -0.001 0.000 0.261 299 G HA3 0.219 4.179 3.960 -0.001 0.000 0.261 299 G C -0.019 174.815 174.900 -0.111 0.000 1.745 299 G CA -0.325 44.724 45.100 -0.086 0.000 0.905 299 G HN 0.490 nan 8.290 nan 0.000 0.746 300 A N 1.249 124.026 122.820 -0.072 0.000 2.292 300 A HA 0.331 4.651 4.320 -0.001 0.000 0.205 300 A C 1.852 179.358 177.584 -0.130 0.000 1.243 300 A CA 2.306 54.327 52.037 -0.028 0.000 0.783 300 A CB -0.492 18.513 19.000 0.008 0.000 0.760 300 A HN 1.859 nan 8.150 nan 0.000 0.498 301 T N -4.371 109.943 114.554 -0.400 0.000 3.130 301 T HA 0.135 4.484 4.350 -0.001 0.000 0.288 301 T C 0.093 174.023 174.700 -1.284 0.000 0.936 301 T CA -0.314 61.238 62.100 -0.914 0.000 0.897 301 T CB -0.485 68.148 68.868 -0.392 0.000 1.178 301 T HN 0.513 nan 8.240 nan 0.000 0.543 302 N N 2.141 120.408 118.700 -0.720 0.000 2.719 302 N HA 0.372 5.111 4.740 -0.001 0.000 0.243 302 N C -1.226 174.129 175.510 -0.259 0.000 1.104 302 N CA -0.420 52.381 53.050 -0.414 0.000 0.981 302 N CB 0.321 38.690 38.487 -0.197 0.000 1.290 302 N HN 0.112 nan 8.380 nan 0.000 0.513 303 F N 0.686 120.624 119.950 -0.021 0.000 2.368 303 F HA 0.485 5.011 4.527 -0.001 0.000 0.315 303 F C 1.447 177.229 175.800 -0.031 0.000 1.145 303 F CA -0.996 56.990 58.000 -0.023 0.000 1.095 303 F CB 0.340 39.329 39.000 -0.018 0.000 1.286 303 F HN 0.171 nan 8.300 nan 0.000 0.530 304 G N -0.612 108.301 108.800 0.189 0.000 2.552 304 G HA2 0.490 4.449 3.960 -0.001 0.000 0.324 304 G HA3 0.490 4.449 3.960 -0.001 0.000 0.324 304 G C -1.986 172.945 174.900 0.051 0.000 1.217 304 G CA -0.403 44.731 45.100 0.057 0.000 0.989 304 G HN 0.550 nan 8.290 nan 0.000 0.490 305 D N -0.927 119.474 120.400 0.001 0.000 2.964 305 D HA 0.304 4.943 4.640 -0.001 0.000 0.234 305 D C 0.006 176.290 176.300 -0.026 0.000 1.223 305 D CA -0.648 53.356 54.000 0.006 0.000 0.889 305 D CB 1.459 42.277 40.800 0.030 0.000 1.609 305 D HN 0.298 nan 8.370 nan 0.000 0.523 306 I N 2.656 123.219 120.570 -0.013 0.000 2.742 306 I HA 0.160 4.330 4.170 -0.001 0.000 0.287 306 I C 1.499 177.628 176.117 0.020 0.000 1.186 306 I CA 0.401 61.699 61.300 -0.004 0.000 1.417 306 I CB 0.701 38.717 38.000 0.026 0.000 1.377 306 I HN 0.580 nan 8.210 nan 0.000 0.556 307 G N 6.696 115.517 108.800 0.036 0.000 3.717 307 G HA2 0.442 4.402 3.960 -0.001 0.000 0.258 307 G HA3 0.442 4.402 3.960 -0.001 0.000 0.258 307 G C -0.261 174.679 174.900 0.067 0.000 1.088 307 G CA -0.058 45.072 45.100 0.050 0.000 1.737 307 G HN 0.385 nan 8.290 nan 0.000 0.648 308 V N -0.016 119.939 119.914 0.069 0.000 2.932 308 V HA 0.241 4.361 4.120 -0.001 0.000 0.307 308 V C -0.290 175.850 176.094 0.077 0.000 1.147 308 V CA -1.176 61.169 62.300 0.074 0.000 0.951 308 V CB 2.180 34.054 31.823 0.085 0.000 1.031 308 V HN 0.455 nan 8.190 nan 0.000 0.426 309 Q N 2.440 122.286 119.800 0.078 0.000 2.263 309 Q HA 0.058 4.397 4.340 -0.001 0.000 0.289 309 Q C 0.900 176.975 176.000 0.124 0.000 1.061 309 Q CA 0.144 56.004 55.803 0.094 0.000 0.927 309 Q CB 0.865 29.657 28.738 0.089 0.000 1.154 309 Q HN 0.657 nan 8.270 nan 0.000 0.378 310 Q N 1.494 121.386 119.800 0.153 0.000 2.268 310 Q HA -0.219 4.120 4.340 -0.001 0.000 0.210 310 Q C 0.909 177.088 176.000 0.298 0.000 0.988 310 Q CA 1.668 57.600 55.803 0.215 0.000 0.883 310 Q CB 0.118 28.971 28.738 0.192 0.000 0.911 310 Q HN 0.670 nan 8.270 nan 0.000 0.430 311 D N -1.233 119.320 120.400 0.254 0.000 2.368 311 D HA -0.022 4.618 4.640 -0.001 0.000 0.218 311 D C 0.570 176.900 176.300 0.049 0.000 1.112 311 D CA 0.156 54.214 54.000 0.098 0.000 0.834 311 D CB 0.376 41.162 40.800 -0.024 0.000 0.953 311 D HN 0.016 nan 8.370 nan 0.000 0.505 312 K N 0.468 120.914 120.400 0.077 0.000 2.533 312 K HA 0.233 4.553 4.320 -0.001 0.000 0.202 312 K C 0.284 176.920 176.600 0.059 0.000 1.096 312 K CA -0.356 55.963 56.287 0.054 0.000 1.056 312 K CB 1.634 34.167 32.500 0.054 0.000 0.890 312 K HN 0.053 nan 8.250 nan 0.000 0.552 313 R N 0.947 121.490 120.500 0.072 0.000 2.528 313 R HA 0.360 4.700 4.340 -0.001 0.000 0.271 313 R C 0.231 176.566 176.300 0.058 0.000 1.056 313 R CA -0.397 55.746 56.100 0.072 0.000 1.117 313 R CB 1.045 31.399 30.300 0.090 0.000 1.085 313 R HN -0.046 nan 8.270 nan 0.000 0.530 314 R N -0.154 120.378 120.500 0.054 0.000 2.674 314 R HA 0.705 5.045 4.340 -0.001 0.000 0.266 314 R C -0.132 176.196 176.300 0.045 0.000 1.016 314 R CA -0.418 55.706 56.100 0.041 0.000 1.062 314 R CB 1.697 32.017 30.300 0.032 0.000 1.142 314 R HN 0.830 nan 8.270 nan 0.000 0.517 315 G N -0.495 108.327 108.800 0.036 0.000 2.347 315 G HA2 0.098 4.058 3.960 -0.001 0.000 0.341 315 G HA3 0.098 4.058 3.960 -0.001 0.000 0.341 315 G C -1.641 173.277 174.900 0.030 0.000 1.287 315 G CA -0.938 44.185 45.100 0.039 0.000 0.984 315 G HN 0.425 nan 8.290 nan 0.000 0.526 316 V N 0.091 120.022 119.914 0.029 0.000 2.715 316 V HA 0.946 5.065 4.120 -0.001 0.000 0.310 316 V C 0.631 176.734 176.094 0.015 0.000 1.054 316 V CA 0.185 62.496 62.300 0.018 0.000 0.928 316 V CB 1.398 33.228 31.823 0.013 0.000 1.007 316 V HN 1.813 nan 8.190 nan 0.000 0.437 317 T N 0.075 114.630 114.554 0.003 0.000 2.812 317 T HA 0.475 4.825 4.350 -0.001 0.000 0.294 317 T C -0.284 174.400 174.700 -0.026 0.000 1.159 317 T CA -0.545 61.549 62.100 -0.009 0.000 1.008 317 T CB 2.370 71.232 68.868 -0.010 0.000 1.289 317 T HN 0.546 nan 8.240 nan 0.000 0.514 318 Q N -0.263 119.512 119.800 -0.042 0.000 2.155 318 Q HA 0.380 4.719 4.340 -0.001 0.000 0.220 318 Q C -0.312 175.645 176.000 -0.072 0.000 0.819 318 Q CA -0.244 55.530 55.803 -0.048 0.000 1.032 318 Q CB 0.245 28.957 28.738 -0.044 0.000 1.151 318 Q HN 0.630 nan 8.270 nan 0.000 0.487 319 M N 0.309 119.852 119.600 -0.094 0.000 3.145 319 M HA 0.246 4.726 4.480 -0.001 0.000 0.254 319 M C 1.111 177.349 176.300 -0.104 0.000 1.264 319 M CA -0.243 54.968 55.300 -0.150 0.000 1.293 319 M CB 0.709 33.147 32.600 -0.271 0.000 1.170 319 M HN 0.224 nan 8.290 nan 0.000 0.572 320 G N 2.196 110.954 108.800 -0.070 0.000 2.517 320 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.222 320 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.222 320 G C 0.863 175.740 174.900 -0.040 0.000 1.109 320 G CA 1.039 46.112 45.100 -0.045 0.000 0.746 320 G HN 0.732 nan 8.290 nan 0.000 0.576 321 N N -0.023 118.648 118.700 -0.049 0.000 2.321 321 N HA 0.152 4.892 4.740 -0.001 0.000 0.242 321 N C -0.375 175.123 175.510 -0.021 0.000 1.141 321 N CA -0.141 52.895 53.050 -0.023 0.000 0.864 321 N CB 0.217 38.705 38.487 0.002 0.000 1.100 321 N HN 0.052 nan 8.380 nan 0.000 0.510 322 T N -1.050 113.477 114.554 -0.046 0.000 2.900 322 T HA 0.358 4.708 4.350 -0.001 0.000 0.303 322 T C 0.003 174.672 174.700 -0.052 0.000 1.142 322 T CA -0.732 61.349 62.100 -0.032 0.000 1.007 322 T CB 1.614 70.482 68.868 -0.000 0.000 1.156 322 T HN -0.098 nan 8.240 nan 0.000 0.490 323 N N -0.192 118.438 118.700 -0.117 0.000 2.205 323 N HA 0.154 4.893 4.740 -0.001 0.000 0.201 323 N C -0.960 174.516 175.510 -0.056 0.000 1.128 323 N CA -0.016 52.972 53.050 -0.104 0.000 0.867 323 N CB 0.124 38.529 38.487 -0.137 0.000 0.996 323 N HN 0.502 nan 8.380 nan 0.000 0.503 324 Y N 1.083 121.444 120.300 0.102 0.000 2.436 324 Y HA 0.319 4.869 4.550 -0.001 0.000 0.343 324 Y C 0.587 176.543 175.900 0.093 0.000 1.008 324 Y CA -0.544 57.630 58.100 0.124 0.000 1.241 324 Y CB 0.413 39.006 38.460 0.222 0.000 1.153 324 Y HN -0.136 nan 8.280 nan 0.000 0.521 325 I N 4.836 125.562 120.570 0.260 0.000 2.359 325 I HA 0.282 4.452 4.170 -0.001 0.000 0.284 325 I C 0.044 176.252 176.117 0.151 0.000 1.018 325 I CA -0.404 60.993 61.300 0.161 0.000 1.173 325 I CB 0.867 38.932 38.000 0.109 0.000 1.326 325 I HN 0.588 nan 8.210 nan 0.000 0.462 326 T N 0.495 115.131 114.554 0.138 0.000 2.858 326 T HA 0.362 4.711 4.350 -0.001 0.000 0.285 326 T C 0.786 175.542 174.700 0.093 0.000 1.052 326 T CA -0.687 61.477 62.100 0.107 0.000 1.009 326 T CB 2.261 71.186 68.868 0.096 0.000 1.241 326 T HN 0.363 nan 8.240 nan 0.000 0.542 327 E N 0.086 120.334 120.200 0.081 0.000 2.204 327 E HA -0.017 4.333 4.350 -0.001 0.000 0.194 327 E C 2.141 178.790 176.600 0.083 0.000 0.989 327 E CA 1.204 57.649 56.400 0.075 0.000 0.824 327 E CB -0.440 29.300 29.700 0.065 0.000 0.756 327 E HN 0.762 nan 8.360 nan 0.000 0.477 328 A N 0.215 123.097 122.820 0.104 0.000 2.021 328 A HA -0.027 4.292 4.320 -0.001 0.000 0.216 328 A C 2.290 179.931 177.584 0.095 0.000 1.163 328 A CA 1.220 53.326 52.037 0.116 0.000 0.676 328 A CB -0.137 18.973 19.000 0.183 0.000 0.818 328 A HN 0.119 nan 8.150 nan 0.000 0.453 329 T N -0.491 114.126 114.554 0.105 0.000 2.983 329 T HA 0.152 4.501 4.350 -0.001 0.000 0.250 329 T C 0.823 175.550 174.700 0.046 0.000 1.037 329 T CA 0.122 62.269 62.100 0.079 0.000 1.142 329 T CB -0.321 68.628 68.868 0.136 0.000 0.876 329 T HN 0.362 nan 8.240 nan 0.000 0.455 330 I N 2.211 122.815 120.570 0.056 0.000 2.932 330 I HA -0.004 4.165 4.170 -0.001 0.000 0.295 330 I C 0.434 176.565 176.117 0.024 0.000 1.227 330 I CA 0.190 61.516 61.300 0.044 0.000 1.429 330 I CB 0.337 38.370 38.000 0.056 0.000 1.339 330 I HN 0.218 nan 8.210 nan 0.000 0.589 331 M N 6.994 126.602 119.600 0.014 0.000 2.219 331 M HA 0.224 4.703 4.480 -0.001 0.000 0.353 331 M C -0.668 175.629 176.300 -0.004 0.000 1.304 331 M CA -0.034 55.265 55.300 -0.001 0.000 1.115 331 M CB 0.050 32.647 32.600 -0.004 0.000 1.664 331 M HN 0.521 nan 8.290 nan 0.000 0.459 332 R N 4.667 125.152 120.500 -0.026 0.000 2.832 332 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 332 R C -1.881 174.365 176.300 -0.090 0.000 0.996 332 R CA -2.154 53.912 56.100 -0.056 0.000 0.977 332 R CB -0.208 30.055 30.300 -0.061 0.000 1.168 332 R HN 0.474 nan 8.270 nan 0.000 0.482 333 P HA 0.121 nan 4.420 nan 0.000 0.218 333 P C -0.300 176.915 177.300 -0.143 0.000 1.152 333 P CA 0.944 63.946 63.100 -0.163 0.000 0.826 333 P CB 0.478 32.014 31.700 -0.273 0.000 0.790 334 A N -1.383 121.344 122.820 -0.156 0.000 2.791 334 A HA 0.598 4.918 4.320 -0.001 0.000 0.309 334 A C -1.517 176.009 177.584 -0.097 0.000 1.200 334 A CA -0.508 51.459 52.037 -0.116 0.000 0.635 334 A CB 0.545 19.474 19.000 -0.119 0.000 1.393 334 A HN -0.029 nan 8.150 nan 0.000 0.557 335 E N -0.099 120.057 120.200 -0.073 0.000 2.210 335 E HA 0.575 4.925 4.350 -0.001 0.000 0.266 335 E C -1.723 174.868 176.600 -0.015 0.000 0.883 335 E CA -0.592 55.785 56.400 -0.038 0.000 0.761 335 E CB 1.930 31.620 29.700 -0.018 0.000 1.156 335 E HN 0.419 nan 8.360 nan 0.000 0.412 336 V N 4.751 124.662 119.914 -0.004 0.000 2.368 336 V HA 0.589 4.708 4.120 -0.001 0.000 0.266 336 V C 0.734 176.868 176.094 0.067 0.000 1.045 336 V CA 0.662 62.973 62.300 0.019 0.000 0.899 336 V CB -0.004 31.816 31.823 -0.005 0.000 1.006 336 V HN 0.971 nan 8.190 nan 0.000 0.470 337 G N 4.621 113.495 108.800 0.124 0.000 2.756 337 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.678 337 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.678 337 G C -1.135 173.922 174.900 0.262 0.000 1.349 337 G CA -0.005 45.197 45.100 0.170 0.000 0.847 337 G HN 1.903 nan 8.290 nan 0.000 0.548 338 Y N -2.651 117.686 120.300 0.062 0.000 2.689 338 Y HA 0.821 5.370 4.550 -0.001 0.000 0.333 338 Y C -0.195 175.724 175.900 0.031 0.000 1.208 338 Y CA -0.812 57.323 58.100 0.058 0.000 1.055 338 Y CB 0.662 39.211 38.460 0.149 0.000 1.304 338 Y HN 0.972 nan 8.280 nan 0.000 0.455 339 S N 1.101 116.793 115.700 -0.012 0.000 2.489 339 S HA 0.916 5.385 4.470 -0.001 0.000 0.291 339 S C -0.635 173.949 174.600 -0.027 0.000 1.151 339 S CA -0.179 57.973 58.200 -0.081 0.000 1.082 339 S CB 1.140 64.362 63.200 0.037 0.000 1.019 339 S HN 1.004 nan 8.310 nan 0.000 0.492 340 A N 3.689 126.487 122.820 -0.036 0.000 2.454 340 A HA 0.863 5.182 4.320 -0.001 0.000 0.302 340 A C -3.033 174.644 177.584 0.155 0.000 1.079 340 A CA -2.171 49.915 52.037 0.081 0.000 0.731 340 A CB 0.688 19.720 19.000 0.054 0.000 1.299 340 A HN 0.512 nan 8.150 nan 0.000 0.413 341 P HA 0.244 nan 4.420 nan 0.000 0.264 341 P C -1.327 176.132 177.300 0.265 0.000 1.183 341 P CA 0.773 63.994 63.100 0.201 0.000 0.763 341 P CB -0.159 31.611 31.700 0.117 0.000 0.807 342 Y N 1.094 121.440 120.300 0.076 0.000 2.376 342 Y HA 0.546 5.096 4.550 -0.001 0.000 0.340 342 Y C -0.567 175.472 175.900 0.232 0.000 0.965 342 Y CA -2.227 55.963 58.100 0.150 0.000 1.078 342 Y CB 0.418 38.962 38.460 0.140 0.000 1.193 342 Y HN 0.260 nan 8.280 nan 0.000 0.452 343 Y N 0.592 120.938 120.300 0.077 0.000 3.038 343 Y HA -0.150 4.400 4.550 -0.001 0.000 0.176 343 Y C 0.247 176.170 175.900 0.038 0.000 1.628 343 Y CA 0.633 58.757 58.100 0.040 0.000 1.020 343 Y CB -1.629 36.925 38.460 0.156 0.000 1.423 343 Y HN 0.838 nan 8.280 nan 0.000 0.418 344 S N 1.560 117.235 115.700 -0.042 0.000 2.438 344 S HA 0.786 5.255 4.470 -0.001 0.000 0.316 344 S C -0.545 173.826 174.600 -0.382 0.000 1.084 344 S CA -0.462 57.696 58.200 -0.072 0.000 1.107 344 S CB 0.266 63.443 63.200 -0.038 0.000 0.981 344 S HN 0.208 nan 8.310 nan 0.000 0.466 345 F N 3.076 122.976 119.950 -0.083 0.000 2.436 345 F HA 0.509 5.036 4.527 -0.001 0.000 0.340 345 F C 0.802 176.430 175.800 -0.286 0.000 1.113 345 F CA -0.621 57.274 58.000 -0.174 0.000 1.022 345 F CB 1.604 40.537 39.000 -0.112 0.000 1.128 345 F HN 0.560 nan 8.300 nan 0.000 0.466 346 E N 1.247 121.156 120.200 -0.485 0.000 2.249 346 E HA 0.855 5.204 4.350 -0.001 0.000 0.263 346 E C -1.198 174.972 176.600 -0.718 0.000 0.950 346 E CA -1.226 54.814 56.400 -0.599 0.000 0.827 346 E CB 2.234 31.523 29.700 -0.686 0.000 1.220 346 E HN 0.637 nan 8.360 nan 0.000 0.411 347 A N 1.124 123.724 122.820 -0.366 0.000 2.422 347 A HA 0.645 4.965 4.320 -0.001 0.000 0.302 347 A C -0.856 176.704 177.584 -0.040 0.000 1.041 347 A CA -0.425 51.498 52.037 -0.190 0.000 0.708 347 A CB 2.027 20.970 19.000 -0.095 0.000 1.257 347 A HN 0.419 nan 8.150 nan 0.000 0.414 348 S N -0.367 115.371 115.700 0.064 0.000 3.081 348 S HA 0.527 4.996 4.470 -0.001 0.000 0.316 348 S C 1.349 175.928 174.600 -0.034 0.000 1.089 348 S CA 0.514 58.745 58.200 0.052 0.000 0.897 348 S CB 0.676 63.937 63.200 0.102 0.000 1.358 348 S HN 0.800 nan 8.310 nan 0.000 0.678 349 T N 1.637 116.135 114.554 -0.093 0.000 2.848 349 T HA -0.117 4.232 4.350 -0.001 0.000 0.269 349 T C 0.877 175.405 174.700 -0.288 0.000 1.081 349 T CA 1.607 63.596 62.100 -0.184 0.000 1.125 349 T CB -0.254 68.481 68.868 -0.222 0.000 0.848 349 T HN 0.464 nan 8.240 nan 0.000 0.503 350 Q N -0.370 119.268 119.800 -0.269 0.000 2.112 350 Q HA 0.479 4.819 4.340 -0.001 0.000 0.222 350 Q C 0.485 176.521 176.000 0.060 0.000 0.798 350 Q CA -0.216 55.378 55.803 -0.349 0.000 1.060 350 Q CB 1.615 29.866 28.738 -0.812 0.000 1.184 350 Q HN 0.490 nan 8.270 nan 0.000 0.475 351 G N 1.369 110.213 108.800 0.073 0.000 2.381 351 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.672 351 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.672 351 G C -3.179 171.806 174.900 0.142 0.000 1.324 351 G CA -1.186 44.001 45.100 0.146 0.000 0.975 351 G HN -0.065 nan 8.290 nan 0.000 0.593 352 P HA 0.704 nan 4.420 nan 0.000 0.276 352 P C -0.887 176.545 177.300 0.220 0.000 1.244 352 P CA -0.290 62.849 63.100 0.064 0.000 0.801 352 P CB 0.833 32.557 31.700 0.040 0.000 1.006 353 F N -1.882 118.182 119.950 0.191 0.000 2.641 353 F HA 0.545 5.072 4.527 -0.001 0.000 0.308 353 F C -0.743 175.072 175.800 0.025 0.000 1.105 353 F CA -1.601 56.481 58.000 0.138 0.000 0.964 353 F CB 1.246 40.267 39.000 0.034 0.000 1.294 353 F HN 0.089 nan 8.300 nan 0.000 0.442 354 K N 1.998 122.439 120.400 0.068 0.000 2.350 354 K HA 0.213 4.533 4.320 -0.001 0.000 0.279 354 K C -0.441 176.091 176.600 -0.113 0.000 1.027 354 K CA -0.038 55.953 56.287 -0.495 0.000 0.969 354 K CB 0.915 33.083 32.500 -0.555 0.000 0.954 354 K HN 0.918 nan 8.250 nan 0.000 0.474 355 T N 7.108 121.526 114.554 -0.226 0.000 2.799 355 T HA 0.157 4.506 4.350 -0.001 0.000 0.296 355 T C -2.265 172.411 174.700 -0.039 0.000 0.947 355 T CA -1.066 61.018 62.100 -0.027 0.000 1.141 355 T CB 0.735 69.567 68.868 -0.060 0.000 0.891 355 T HN 0.455 nan 8.240 nan 0.000 0.533 356 P HA 0.474 nan 4.420 nan 0.000 0.277 356 P C -0.588 176.717 177.300 0.009 0.000 1.240 356 P CA -0.516 62.576 63.100 -0.014 0.000 0.798 356 P CB 0.913 32.608 31.700 -0.007 0.000 0.979 357 I N 0.690 121.263 120.570 0.004 0.000 2.569 357 I HA 0.361 4.531 4.170 -0.001 0.000 0.296 357 I C 1.223 177.364 176.117 0.041 0.000 1.028 357 I CA -0.737 60.575 61.300 0.021 0.000 1.082 357 I CB 2.231 40.213 38.000 -0.029 0.000 1.264 357 I HN 0.333 nan 8.210 nan 0.000 0.429 358 A N 4.819 127.698 122.820 0.098 0.000 1.929 358 A HA 0.446 4.766 4.320 -0.001 0.000 0.216 358 A C 0.876 178.505 177.584 0.074 0.000 1.176 358 A CA 1.256 53.360 52.037 0.112 0.000 0.628 358 A CB -0.056 19.065 19.000 0.202 0.000 0.816 358 A HN 0.712 nan 8.150 nan 0.000 0.444 359 A N -1.602 121.232 122.820 0.022 0.000 2.449 359 A HA 0.636 4.955 4.320 -0.001 0.000 0.302 359 A C 0.429 178.018 177.584 0.007 0.000 1.048 359 A CA -0.059 52.002 52.037 0.039 0.000 0.708 359 A CB 0.778 19.810 19.000 0.054 0.000 1.274 359 A HN 0.789 nan 8.150 nan 0.000 0.410 360 G N 0.540 109.364 108.800 0.040 0.000 2.666 360 G HA2 0.568 4.528 3.960 -0.001 0.000 0.207 360 G HA3 0.568 4.528 3.960 -0.001 0.000 0.207 360 G C 0.311 175.220 174.900 0.016 0.000 1.481 360 G CA 0.185 45.296 45.100 0.018 0.000 1.071 360 G HN 1.154 nan 8.290 nan 0.000 0.572 361 R N -2.533 117.980 120.500 0.021 0.000 3.307 361 R HA 0.763 5.103 4.340 -0.001 0.000 0.227 361 R C -0.168 176.148 176.300 0.026 0.000 1.645 361 R CA 0.076 56.192 56.100 0.025 0.000 1.015 361 R CB 0.692 31.011 30.300 0.032 0.000 1.832 361 R HN 1.848 nan 8.270 nan 0.000 0.533 362 G N -1.767 107.042 108.800 0.014 0.000 2.627 362 G HA2 0.427 4.386 3.960 -0.001 0.000 0.680 362 G HA3 0.427 4.386 3.960 -0.001 0.000 0.680 362 G C -0.104 174.775 174.900 -0.034 0.000 1.341 362 G CA -0.277 44.818 45.100 -0.008 0.000 0.835 362 G HN 1.483 nan 8.290 nan 0.000 0.643 363 G N -0.121 108.648 108.800 -0.051 0.000 2.152 363 G HA2 0.522 4.482 3.960 -0.001 0.000 0.058 363 G HA3 0.522 4.482 3.960 -0.001 0.000 0.058 363 G C 1.541 176.397 174.900 -0.073 0.000 0.966 363 G CA 1.669 46.731 45.100 -0.064 0.000 1.149 363 G HN 2.288 nan 8.290 nan 0.000 0.402 364 A N -0.405 122.363 122.820 -0.086 0.000 1.940 364 A HA 0.065 4.384 4.320 -0.001 0.000 0.219 364 A C 2.172 179.671 177.584 -0.142 0.000 1.176 364 A CA 3.025 54.999 52.037 -0.105 0.000 0.631 364 A CB -0.420 18.513 19.000 -0.112 0.000 0.814 364 A HN 0.648 nan 8.150 nan 0.000 0.446 365 Q N -1.611 118.073 119.800 -0.193 0.000 2.580 365 Q HA 0.169 4.509 4.340 -0.001 0.000 0.239 365 Q C 0.897 176.846 176.000 -0.085 0.000 0.873 365 Q CA 1.074 56.738 55.803 -0.232 0.000 0.951 365 Q CB -0.055 28.307 28.738 -0.627 0.000 1.172 365 Q HN 0.551 nan 8.270 nan 0.000 0.616 366 T N -0.966 113.558 114.554 -0.051 0.000 2.779 366 T HA 0.629 4.979 4.350 -0.001 0.000 0.280 366 T C -0.800 173.898 174.700 -0.002 0.000 0.987 366 T CA -0.666 61.436 62.100 0.004 0.000 0.966 366 T CB 1.696 70.592 68.868 0.045 0.000 0.933 366 T HN -0.001 nan 8.240 nan 0.000 0.442 367 D N 1.126 121.532 120.400 0.011 0.000 2.726 367 D HA 0.309 4.949 4.640 -0.001 0.000 0.241 367 D C 1.280 177.601 176.300 0.035 0.000 1.150 367 D CA -0.709 53.299 54.000 0.014 0.000 1.089 367 D CB 1.369 42.174 40.800 0.009 0.000 1.260 367 D HN 0.674 nan 8.370 nan 0.000 0.637 368 E N -0.467 119.759 120.200 0.043 0.000 2.118 368 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 368 E C 1.456 178.085 176.600 0.049 0.000 0.992 368 E CA 1.211 57.645 56.400 0.056 0.000 0.804 368 E CB -0.037 29.701 29.700 0.063 0.000 0.741 368 E HN 0.413 nan 8.360 nan 0.000 0.458 369 N N -0.270 118.455 118.700 0.041 0.000 2.109 369 N HA -0.181 4.559 4.740 -0.001 0.000 0.188 369 N C 0.919 176.456 175.510 0.045 0.000 1.034 369 N CA 0.360 53.433 53.050 0.039 0.000 0.846 369 N CB 0.112 38.619 38.487 0.033 0.000 1.010 369 N HN -0.043 nan 8.380 nan 0.000 0.425 370 Q N 1.563 121.390 119.800 0.045 0.000 3.223 370 Q HA 0.256 4.596 4.340 -0.001 0.000 0.299 370 Q C -1.270 174.767 176.000 0.063 0.000 1.385 370 Q CA -0.260 55.582 55.803 0.065 0.000 0.942 370 Q CB -0.456 28.322 28.738 0.066 0.000 1.748 370 Q HN 0.329 nan 8.270 nan 0.000 0.523 371 A N 1.001 123.854 122.820 0.055 0.000 2.409 371 A HA 0.681 5.000 4.320 -0.001 0.000 0.262 371 A C -0.255 177.355 177.584 0.043 0.000 1.113 371 A CA 0.374 52.444 52.037 0.054 0.000 0.790 371 A CB 0.343 19.375 19.000 0.054 0.000 1.046 371 A HN 0.687 nan 8.150 nan 0.000 0.496 372 A N 1.985 124.837 122.820 0.054 0.000 2.524 372 A HA 0.694 5.013 4.320 -0.001 0.000 0.286 372 A C -0.907 176.755 177.584 0.129 0.000 1.203 372 A CA -0.534 51.531 52.037 0.047 0.000 0.736 372 A CB 0.834 19.840 19.000 0.011 0.000 1.322 372 A HN 0.781 nan 8.150 nan 0.000 0.424 373 D N -1.214 119.278 120.400 0.154 0.000 2.255 373 D HA 0.490 5.130 4.640 -0.001 0.000 0.249 373 D C 1.114 177.465 176.300 0.085 0.000 1.078 373 D CA 1.545 55.692 54.000 0.245 0.000 0.896 373 D CB 1.053 42.075 40.800 0.371 0.000 1.194 373 D HN 1.507 nan 8.370 nan 0.000 0.429 374 G N 2.967 111.804 108.800 0.063 0.000 2.284 374 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.216 374 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.216 374 G C 0.149 175.083 174.900 0.057 0.000 1.009 374 G CA -0.205 44.913 45.100 0.030 0.000 0.625 374 G HN 0.605 nan 8.290 nan 0.000 0.501 375 N N 3.234 121.981 118.700 0.078 0.000 2.458 375 N HA 0.524 5.263 4.740 -0.001 0.000 0.270 375 N C -2.175 173.386 175.510 0.084 0.000 1.102 375 N CA -0.789 52.329 53.050 0.114 0.000 0.967 375 N CB 1.651 40.208 38.487 0.116 0.000 1.078 375 N HN 0.273 nan 8.380 nan 0.000 0.471 376 P HA 0.238 nan 4.420 nan 0.000 0.281 376 P C -1.059 176.183 177.300 -0.097 0.000 1.249 376 P CA -0.392 62.680 63.100 -0.046 0.000 0.810 376 P CB 1.274 32.946 31.700 -0.048 0.000 1.008 377 R N 1.607 121.936 120.500 -0.286 0.000 2.534 377 R HA 0.464 4.803 4.340 -0.001 0.000 0.301 377 R C -1.173 174.827 176.300 -0.501 0.000 0.961 377 R CA -0.592 55.336 56.100 -0.286 0.000 0.871 377 R CB 0.969 31.188 30.300 -0.136 0.000 1.170 377 R HN 0.434 nan 8.270 nan 0.000 0.446 378 Y N 1.640 121.658 120.300 -0.469 0.000 2.335 378 Y HA 0.563 5.113 4.550 -0.001 0.000 0.338 378 Y C 0.034 175.907 175.900 -0.045 0.000 0.977 378 Y CA -0.564 57.353 58.100 -0.305 0.000 1.114 378 Y CB 2.342 40.413 38.460 -0.648 0.000 1.182 378 Y HN 0.621 nan 8.280 nan 0.000 0.463 379 A N 5.140 128.054 122.820 0.156 0.000 2.331 379 A HA 0.901 5.221 4.320 -0.001 0.000 0.320 379 A C -1.286 176.415 177.584 0.195 0.000 1.138 379 A CA -0.489 51.554 52.037 0.011 0.000 0.790 379 A CB 0.339 19.314 19.000 -0.042 0.000 1.206 379 A HN 0.694 nan 8.150 nan 0.000 0.470 380 F N -0.053 119.949 119.950 0.087 0.000 2.741 380 F HA 0.772 5.299 4.527 -0.001 0.000 0.311 380 F C 0.235 176.085 175.800 0.082 0.000 1.149 380 F CA -0.572 57.486 58.000 0.097 0.000 0.930 380 F CB 0.546 39.628 39.000 0.137 0.000 1.312 380 F HN 0.802 nan 8.300 nan 0.000 0.450 381 G N 0.480 109.446 108.800 0.277 0.000 2.525 381 G HA2 0.427 4.386 3.960 -0.001 0.000 0.287 381 G HA3 0.427 4.386 3.960 -0.001 0.000 0.287 381 G C 0.144 175.117 174.900 0.122 0.000 1.350 381 G CA -1.041 44.138 45.100 0.131 0.000 1.039 381 G HN 0.820 nan 8.290 nan 0.000 0.513 382 R N -0.893 119.612 120.500 0.008 0.000 2.115 382 R HA -0.059 4.280 4.340 -0.001 0.000 0.230 382 R C 2.603 178.871 176.300 -0.053 0.000 1.111 382 R CA 1.211 57.314 56.100 0.004 0.000 0.976 382 R CB -0.072 30.212 30.300 -0.026 0.000 0.870 382 R HN 0.536 nan 8.270 nan 0.000 0.445 383 Q N -0.425 119.192 119.800 -0.306 0.000 2.369 383 Q HA -0.072 4.267 4.340 -0.001 0.000 0.206 383 Q C 0.175 175.595 176.000 -0.968 0.000 0.963 383 Q CA 0.812 56.256 55.803 -0.599 0.000 0.894 383 Q CB 0.413 28.573 28.738 -0.964 0.000 0.965 383 Q HN 0.575 nan 8.270 nan 0.000 0.475 384 H N -1.837 116.984 119.070 -0.415 0.000 2.651 384 H HA 0.343 4.898 4.556 -0.001 0.000 0.241 384 H C 0.846 176.009 175.328 -0.275 0.000 1.225 384 H CA 0.551 56.097 56.048 -0.837 0.000 0.942 384 H CB 1.064 30.303 29.762 -0.871 0.000 1.996 384 H HN 0.329 nan 8.280 nan 0.000 0.600 385 G N 1.245 110.108 108.800 0.106 0.000 2.541 385 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.201 385 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.201 385 G C 0.493 175.688 174.900 0.491 0.000 1.026 385 G CA -0.074 45.184 45.100 0.262 0.000 0.687 385 G HN 0.463 nan 8.290 nan 0.000 0.492 386 Q N 1.728 121.861 119.800 0.555 0.000 2.330 386 Q HA 0.428 4.767 4.340 -0.001 0.000 0.279 386 Q C 0.486 176.610 176.000 0.205 0.000 1.024 386 Q CA 0.382 56.362 55.803 0.295 0.000 0.900 386 Q CB 0.555 29.365 28.738 0.120 0.000 1.221 386 Q HN 0.460 nan 8.270 nan 0.000 0.396 387 K N 3.128 123.619 120.400 0.151 0.000 2.472 387 K HA -0.059 4.261 4.320 -0.001 0.000 0.280 387 K C 0.509 177.148 176.600 0.064 0.000 1.028 387 K CA 0.755 57.107 56.287 0.109 0.000 1.045 387 K CB 0.410 32.958 32.500 0.079 0.000 0.902 387 K HN 0.821 nan 8.250 nan 0.000 0.478 388 T N 2.297 116.878 114.554 0.045 0.000 2.635 388 T HA -0.189 4.161 4.350 -0.001 0.000 0.267 388 T C 1.312 176.003 174.700 -0.014 0.000 1.040 388 T CA 2.324 64.418 62.100 -0.009 0.000 1.156 388 T CB -0.346 68.475 68.868 -0.079 0.000 0.863 388 T HN 0.908 nan 8.240 nan 0.000 0.430 389 T N -0.570 113.980 114.554 -0.005 0.000 3.148 389 T HA 0.100 4.449 4.350 -0.001 0.000 0.253 389 T C 0.887 175.585 174.700 -0.004 0.000 1.134 389 T CA 0.100 62.195 62.100 -0.008 0.000 1.051 389 T CB -0.363 68.501 68.868 -0.007 0.000 0.959 389 T HN 0.130 nan 8.240 nan 0.000 0.525 390 T N 4.017 118.574 114.554 0.005 0.000 2.870 390 T HA 0.364 4.714 4.350 -0.001 0.000 0.300 390 T C 0.510 175.207 174.700 -0.005 0.000 0.989 390 T CA -0.217 61.886 62.100 0.004 0.000 1.139 390 T CB 0.791 69.667 68.868 0.013 0.000 0.920 390 T HN 0.599 nan 8.240 nan 0.000 0.537 391 T N 0.785 115.335 114.554 -0.007 0.000 2.909 391 T HA 0.712 5.062 4.350 -0.001 0.000 0.286 391 T C 0.344 175.037 174.700 -0.012 0.000 1.002 391 T CA -0.404 61.689 62.100 -0.012 0.000 1.074 391 T CB 1.364 70.225 68.868 -0.012 0.000 0.984 391 T HN 1.032 nan 8.240 nan 0.000 0.495 392 G N 1.416 110.207 108.800 -0.015 0.000 2.592 392 G HA2 0.132 4.091 3.960 -0.001 0.000 0.685 392 G HA3 0.132 4.091 3.960 -0.001 0.000 0.685 392 G C -0.399 174.489 174.900 -0.020 0.000 1.278 392 G CA -0.822 44.269 45.100 -0.016 0.000 0.822 392 G HN 0.562 nan 8.290 nan 0.000 0.652 393 E N 0.302 120.489 120.200 -0.021 0.000 2.451 393 E HA 0.214 4.563 4.350 -0.001 0.000 0.194 393 E C 1.040 177.622 176.600 -0.029 0.000 1.027 393 E CA 0.256 56.641 56.400 -0.025 0.000 0.914 393 E CB 0.469 30.156 29.700 -0.023 0.000 1.054 393 E HN 0.547 nan 8.360 nan 0.000 0.461 394 T N 3.866 118.401 114.554 -0.032 0.000 2.832 394 T HA 0.235 4.585 4.350 -0.001 0.000 0.296 394 T C -2.093 172.567 174.700 -0.065 0.000 0.968 394 T CA -1.212 60.863 62.100 -0.040 0.000 1.107 394 T CB 1.117 69.966 68.868 -0.033 0.000 0.916 394 T HN 0.050 nan 8.240 nan 0.000 0.517 395 P HA 0.171 nan 4.420 nan 0.000 0.271 395 P C -0.343 176.820 177.300 -0.229 0.000 1.233 395 P CA -0.324 62.688 63.100 -0.147 0.000 0.789 395 P CB 0.651 32.275 31.700 -0.127 0.000 0.951 396 E N 0.909 120.837 120.200 -0.453 0.000 2.231 396 E HA 0.394 4.743 4.350 -0.001 0.000 0.277 396 E C -0.441 175.688 176.600 -0.786 0.000 0.999 396 E CA -0.395 55.663 56.400 -0.570 0.000 0.827 396 E CB 0.824 30.113 29.700 -0.686 0.000 1.101 396 E HN 0.288 nan 8.360 nan 0.000 0.393 397 R N 2.186 122.502 120.500 -0.307 0.000 2.831 397 R HA 0.695 5.035 4.340 -0.001 0.000 0.266 397 R C -1.255 175.218 176.300 0.289 0.000 1.051 397 R CA -0.890 55.165 56.100 -0.074 0.000 0.943 397 R CB 1.343 31.615 30.300 -0.046 0.000 1.228 397 R HN 0.599 nan 8.270 nan 0.000 0.467 398 F N -2.574 117.467 119.950 0.151 0.000 2.725 398 F HA 0.441 4.968 4.527 -0.001 0.000 0.311 398 F C -1.685 174.172 175.800 0.095 0.000 1.121 398 F CA -0.756 57.307 58.000 0.104 0.000 0.978 398 F CB 1.607 40.626 39.000 0.032 0.000 1.274 398 F HN 0.242 nan 8.300 nan 0.000 0.440 399 T N 2.792 117.465 114.554 0.198 0.000 2.771 399 T HA 0.300 4.649 4.350 -0.001 0.000 0.281 399 T C -1.642 173.213 174.700 0.259 0.000 0.982 399 T CA -0.308 61.869 62.100 0.129 0.000 0.978 399 T CB 0.630 69.563 68.868 0.108 0.000 0.930 399 T HN 0.620 nan 8.240 nan 0.000 0.447 400 Y N 5.185 125.570 120.300 0.142 0.000 2.383 400 Y HA 0.419 4.968 4.550 -0.001 0.000 0.344 400 Y C -0.468 175.542 175.900 0.185 0.000 0.986 400 Y CA -1.141 57.096 58.100 0.227 0.000 1.175 400 Y CB 0.341 38.978 38.460 0.296 0.000 1.152 400 Y HN 0.406 nan 8.280 nan 0.000 0.511 401 I N 6.818 127.269 120.570 -0.198 0.000 2.330 401 I HA 0.367 4.537 4.170 -0.001 0.000 0.286 401 I C 0.784 176.742 176.117 -0.265 0.000 1.025 401 I CA -0.872 60.359 61.300 -0.115 0.000 1.197 401 I CB -0.221 37.737 38.000 -0.070 0.000 1.358 401 I HN 0.720 nan 8.210 nan 0.000 0.467 402 A N 5.475 128.282 122.820 -0.021 0.000 2.297 402 A HA 0.097 4.416 4.320 -0.001 0.000 0.279 402 A C 0.627 178.231 177.584 0.034 0.000 1.219 402 A CA 0.727 52.848 52.037 0.139 0.000 0.827 402 A CB -0.058 19.124 19.000 0.303 0.000 1.129 402 A HN 0.788 nan 8.150 nan 0.000 0.511 403 H N -1.674 117.392 119.070 -0.007 0.000 3.170 403 H HA 0.189 4.745 4.556 -0.001 0.000 0.264 403 H C -0.223 174.994 175.328 -0.184 0.000 1.113 403 H CA 0.272 56.203 56.048 -0.196 0.000 1.194 403 H CB 0.318 29.850 29.762 -0.384 0.000 1.553 403 H HN 0.690 nan 8.280 nan 0.000 0.538 404 Q N 1.260 121.161 119.800 0.169 0.000 2.295 404 Q HA 0.180 4.519 4.340 -0.001 0.000 0.259 404 Q C -0.969 175.134 176.000 0.171 0.000 0.976 404 Q CA -0.488 55.455 55.803 0.234 0.000 0.923 404 Q CB 0.987 29.861 28.738 0.227 0.000 1.185 404 Q HN 0.102 nan 8.270 nan 0.000 0.410 405 D N 3.688 124.207 120.400 0.197 0.000 2.435 405 D HA 0.036 4.676 4.640 -0.001 0.000 0.230 405 D C 0.359 176.731 176.300 0.120 0.000 1.215 405 D CA 0.077 54.166 54.000 0.148 0.000 0.947 405 D CB 0.622 41.533 40.800 0.186 0.000 1.048 405 D HN 0.783 nan 8.370 nan 0.000 0.512 406 T N -1.815 112.795 114.554 0.093 0.000 3.192 406 T HA 0.347 4.697 4.350 -0.001 0.000 0.295 406 T C 0.866 175.593 174.700 0.045 0.000 0.947 406 T CA -0.472 61.673 62.100 0.076 0.000 0.916 406 T CB 0.535 69.457 68.868 0.089 0.000 1.169 406 T HN 0.222 nan 8.240 nan 0.000 0.540 407 G N 1.115 109.935 108.800 0.034 0.000 2.641 407 G HA2 0.742 4.702 3.960 -0.001 0.000 0.239 407 G HA3 0.742 4.702 3.960 -0.001 0.000 0.239 407 G C -0.775 174.123 174.900 -0.003 0.000 1.402 407 G CA -0.971 44.124 45.100 -0.008 0.000 1.046 407 G HN 0.300 nan 8.290 nan 0.000 0.565 408 R N -1.743 118.745 120.500 -0.020 0.000 2.740 408 R HA 0.237 4.577 4.340 -0.001 0.000 0.273 408 R C -1.990 174.350 176.300 0.067 0.000 0.998 408 R CA -0.775 55.333 56.100 0.014 0.000 0.900 408 R CB 1.841 32.120 30.300 -0.036 0.000 1.223 408 R HN 0.499 nan 8.270 nan 0.000 0.466 409 Y N 3.541 123.819 120.300 -0.037 0.000 2.717 409 Y HA 0.316 4.865 4.550 -0.001 0.000 0.329 409 Y C -1.731 174.154 175.900 -0.025 0.000 1.017 409 Y CA -2.746 55.337 58.100 -0.029 0.000 1.275 409 Y CB 0.900 39.365 38.460 0.009 0.000 1.109 409 Y HN 0.374 nan 8.280 nan 0.000 0.511 410 P HA -0.158 nan 4.420 nan 0.000 0.219 410 P C 0.852 178.015 177.300 -0.228 0.000 1.146 410 P CA 1.358 64.337 63.100 -0.201 0.000 0.808 410 P CB 0.516 32.084 31.700 -0.220 0.000 0.779 411 E N -0.874 119.032 120.200 -0.490 0.000 2.409 411 E HA -0.023 4.327 4.350 -0.001 0.000 0.198 411 E C 1.980 178.493 176.600 -0.144 0.000 1.024 411 E CA 1.179 57.306 56.400 -0.456 0.000 0.861 411 E CB -1.026 28.065 29.700 -1.015 0.000 0.788 411 E HN 0.284 nan 8.360 nan 0.000 0.521 412 G N -0.369 108.433 108.800 0.002 0.000 3.159 412 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.232 412 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.232 412 G C -0.073 175.013 174.900 0.310 0.000 1.116 412 G CA -0.387 44.860 45.100 0.245 0.000 0.767 412 G HN 0.038 nan 8.290 nan 0.000 0.547 413 D N 0.465 120.981 120.400 0.194 0.000 2.339 413 D HA 0.482 5.121 4.640 -0.001 0.000 0.245 413 D C -0.338 176.190 176.300 0.379 0.000 1.115 413 D CA 0.116 54.222 54.000 0.176 0.000 0.917 413 D CB 1.144 41.959 40.800 0.025 0.000 1.192 413 D HN 0.446 nan 8.370 nan 0.000 0.428 414 W N 1.271 122.664 121.300 0.155 0.000 3.571 414 W HA 0.476 5.135 4.660 -0.001 0.000 0.294 414 W C -2.220 174.313 176.519 0.023 0.000 1.257 414 W CA -0.797 56.612 57.345 0.107 0.000 1.206 414 W CB 0.448 29.945 29.460 0.062 0.000 1.325 414 W HN 0.023 nan 8.180 nan 0.000 0.546 415 I N 3.627 124.193 120.570 -0.007 0.000 2.525 415 I HA 0.497 4.666 4.170 -0.001 0.000 0.301 415 I C -0.279 175.900 176.117 0.104 0.000 0.992 415 I CA -0.870 60.345 61.300 -0.143 0.000 1.162 415 I CB 1.737 39.496 38.000 -0.401 0.000 1.332 415 I HN 0.741 nan 8.210 nan 0.000 0.458 416 Q N 3.938 123.816 119.800 0.129 0.000 2.320 416 Q HA 0.329 4.668 4.340 -0.001 0.000 0.272 416 Q C -0.929 175.168 176.000 0.162 0.000 1.023 416 Q CA -0.787 55.145 55.803 0.215 0.000 0.855 416 Q CB 1.690 30.670 28.738 0.404 0.000 1.367 416 Q HN 0.599 nan 8.270 nan 0.000 0.406 417 N N 2.255 121.027 118.700 0.120 0.000 2.353 417 N HA -0.094 4.646 4.740 -0.001 0.000 0.248 417 N C 0.437 176.040 175.510 0.154 0.000 1.240 417 N CA 0.293 53.403 53.050 0.101 0.000 0.862 417 N CB 0.649 39.179 38.487 0.070 0.000 1.086 417 N HN 0.886 nan 8.380 nan 0.000 0.453 418 I N 4.045 124.687 120.570 0.120 0.000 2.423 418 I HA -0.276 3.893 4.170 -0.001 0.000 0.254 418 I C 1.504 177.715 176.117 0.157 0.000 1.151 418 I CA 1.278 62.652 61.300 0.123 0.000 1.421 418 I CB -0.184 37.856 38.000 0.067 0.000 1.079 418 I HN 0.639 nan 8.210 nan 0.000 0.431 419 N N 0.174 118.959 118.700 0.142 0.000 2.272 419 N HA -0.217 4.522 4.740 -0.001 0.000 0.185 419 N C 0.580 176.240 175.510 0.250 0.000 1.014 419 N CA 0.949 54.086 53.050 0.145 0.000 0.870 419 N CB -0.140 38.402 38.487 0.091 0.000 0.975 419 N HN 0.268 nan 8.380 nan 0.000 0.433 420 F N 0.654 120.647 119.950 0.072 0.000 3.074 420 F HA -0.276 4.250 4.527 -0.001 0.000 0.287 420 F C -0.722 175.143 175.800 0.108 0.000 0.932 420 F CA -0.026 58.036 58.000 0.103 0.000 0.995 420 F CB -1.962 37.109 39.000 0.118 0.000 0.966 420 F HN 0.059 nan 8.300 nan 0.000 0.721 421 N N 1.898 120.618 118.700 0.033 0.000 2.442 421 N HA 0.278 5.018 4.740 -0.001 0.000 0.265 421 N C 1.268 176.717 175.510 -0.101 0.000 1.138 421 N CA -0.378 52.674 53.050 0.004 0.000 0.956 421 N CB 0.832 39.330 38.487 0.018 0.000 1.067 421 N HN 0.334 nan 8.380 nan 0.000 0.474 422 L N 3.464 124.630 121.223 -0.095 0.000 2.013 422 L HA 0.068 4.407 4.340 -0.001 0.000 0.204 422 L C -1.183 175.591 176.870 -0.161 0.000 1.081 422 L CA 0.662 55.383 54.840 -0.197 0.000 0.751 422 L CB -1.186 40.781 42.059 -0.154 0.000 0.901 422 L HN 0.475 nan 8.230 nan 0.000 0.440 423 P HA -0.026 nan 4.420 nan 0.000 0.257 423 P C -0.122 177.107 177.300 -0.118 0.000 1.227 423 P CA 0.658 63.682 63.100 -0.127 0.000 0.981 423 P CB 0.068 31.710 31.700 -0.096 0.000 1.044 424 V N 4.615 124.436 119.914 -0.155 0.000 2.788 424 V HA -0.014 4.106 4.120 -0.001 0.000 0.307 424 V C 0.425 176.464 176.094 -0.093 0.000 1.069 424 V CA 0.808 63.033 62.300 -0.125 0.000 1.173 424 V CB 0.308 32.042 31.823 -0.148 0.000 0.925 424 V HN 0.489 nan 8.190 nan 0.000 0.492 425 T N 6.458 120.975 114.554 -0.061 0.000 2.743 425 T HA 0.144 4.494 4.350 -0.001 0.000 0.293 425 T C 1.210 175.889 174.700 -0.035 0.000 0.945 425 T CA 0.501 62.575 62.100 -0.043 0.000 1.030 425 T CB 0.641 69.492 68.868 -0.028 0.000 0.912 425 T HN 0.954 nan 8.240 nan 0.000 0.483 426 N N 3.344 122.022 118.700 -0.037 0.000 2.228 426 N HA -0.236 4.503 4.740 -0.001 0.000 0.199 426 N C 0.665 176.164 175.510 -0.018 0.000 0.985 426 N CA 2.213 55.245 53.050 -0.029 0.000 0.909 426 N CB 0.010 38.482 38.487 -0.025 0.000 1.020 426 N HN 0.719 nan 8.380 nan 0.000 0.472 427 D N -2.518 117.874 120.400 -0.013 0.000 2.738 427 D HA 0.177 4.817 4.640 -0.001 0.000 0.246 427 D C -0.511 175.788 176.300 -0.001 0.000 1.270 427 D CA -0.269 53.727 54.000 -0.007 0.000 0.833 427 D CB -0.358 40.440 40.800 -0.004 0.000 1.040 427 D HN 0.365 nan 8.370 nan 0.000 0.487 428 N N -0.613 118.087 118.700 0.001 0.000 2.232 428 N HA 0.193 4.932 4.740 -0.001 0.000 0.240 428 N C -1.193 174.336 175.510 0.032 0.000 1.307 428 N CA -0.211 52.849 53.050 0.017 0.000 0.859 428 N CB 1.750 40.248 38.487 0.019 0.000 1.260 428 N HN 0.010 nan 8.380 nan 0.000 0.501 429 V N 0.295 120.221 119.914 0.019 0.000 2.971 429 V HA 0.544 4.664 4.120 -0.001 0.000 0.309 429 V C -1.225 174.871 176.094 0.004 0.000 1.130 429 V CA -0.978 61.345 62.300 0.038 0.000 0.964 429 V CB 2.566 34.397 31.823 0.012 0.000 1.029 429 V HN -0.119 nan 8.190 nan 0.000 0.427 430 L N 4.113 125.331 121.223 -0.009 0.000 2.372 430 L HA 0.713 5.052 4.340 -0.001 0.000 0.273 430 L C -0.923 175.976 176.870 0.049 0.000 0.989 430 L CA 0.041 54.837 54.840 -0.073 0.000 0.841 430 L CB 1.194 43.097 42.059 -0.259 0.000 1.225 430 L HN 0.649 nan 8.230 nan 0.000 0.414 431 L N 6.160 127.454 121.223 0.118 0.000 2.334 431 L HA 0.573 4.912 4.340 -0.001 0.000 0.272 431 L C -1.497 175.496 176.870 0.206 0.000 1.020 431 L CA -1.791 53.160 54.840 0.184 0.000 0.812 431 L CB 1.322 43.432 42.059 0.085 0.000 1.264 431 L HN 0.379 nan 8.230 nan 0.000 0.439 432 P HA -0.098 nan 4.420 nan 0.000 0.234 432 P C 1.015 178.331 177.300 0.025 0.000 1.162 432 P CA 0.976 64.108 63.100 0.052 0.000 0.759 432 P CB 0.205 31.893 31.700 -0.019 0.000 0.813 433 T N -1.805 112.776 114.554 0.044 0.000 3.040 433 T HA 0.036 4.386 4.350 -0.001 0.000 0.252 433 T C 0.492 175.205 174.700 0.022 0.000 1.064 433 T CA 0.246 62.358 62.100 0.021 0.000 1.110 433 T CB -0.213 68.664 68.868 0.016 0.000 0.921 433 T HN 0.071 nan 8.240 nan 0.000 0.480 434 D N 2.709 123.134 120.400 0.043 0.000 2.304 434 D HA 0.314 4.954 4.640 -0.001 0.000 0.247 434 D C -2.575 173.745 176.300 0.033 0.000 1.089 434 D CA -1.786 52.233 54.000 0.032 0.000 0.910 434 D CB 1.044 41.865 40.800 0.034 0.000 1.199 434 D HN 0.150 nan 8.370 nan 0.000 0.426 435 P HA 0.322 nan 4.420 nan 0.000 0.288 435 P C -0.461 176.850 177.300 0.019 0.000 1.267 435 P CA -0.631 62.475 63.100 0.010 0.000 0.815 435 P CB 1.164 32.862 31.700 -0.004 0.000 0.989 436 I N 1.603 122.185 120.570 0.019 0.000 2.412 436 I HA 0.318 4.487 4.170 -0.001 0.000 0.296 436 I C 1.501 177.626 176.117 0.014 0.000 0.987 436 I CA -0.118 61.198 61.300 0.027 0.000 1.180 436 I CB 0.507 38.535 38.000 0.047 0.000 1.340 436 I HN 0.741 nan 8.210 nan 0.000 0.455 437 G N 4.503 113.313 108.800 0.017 0.000 2.187 437 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.261 437 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.261 437 G C 1.080 175.983 174.900 0.004 0.000 1.000 437 G CA 0.858 45.966 45.100 0.013 0.000 0.718 437 G HN 1.616 nan 8.290 nan 0.000 0.519 438 G N -1.466 107.335 108.800 0.002 0.000 2.168 438 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.263 438 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.263 438 G C 0.443 175.334 174.900 -0.016 0.000 0.977 438 G CA 1.100 46.197 45.100 -0.005 0.000 0.659 438 G HN 0.999 nan 8.290 nan 0.000 0.533 439 K N 0.813 121.202 120.400 -0.018 0.000 2.205 439 K HA 0.412 4.732 4.320 -0.001 0.000 0.279 439 K C 1.616 178.197 176.600 -0.032 0.000 1.027 439 K CA 0.347 56.614 56.287 -0.035 0.000 0.932 439 K CB 1.300 33.777 32.500 -0.038 0.000 1.032 439 K HN 0.370 nan 8.250 nan 0.000 0.466 440 T N -1.851 112.680 114.554 -0.038 0.000 3.081 440 T HA 0.020 4.369 4.350 -0.001 0.000 0.255 440 T C 1.328 176.005 174.700 -0.039 0.000 1.113 440 T CA 0.496 62.577 62.100 -0.032 0.000 1.082 440 T CB 0.139 68.990 68.868 -0.029 0.000 0.939 440 T HN 0.619 nan 8.240 nan 0.000 0.506 441 G N 1.072 109.843 108.800 -0.049 0.000 3.605 441 G HA2 0.481 4.441 3.960 -0.001 0.000 0.277 441 G HA3 0.481 4.441 3.960 -0.001 0.000 0.277 441 G C -0.188 174.665 174.900 -0.078 0.000 1.093 441 G CA -0.356 44.709 45.100 -0.058 0.000 0.821 441 G HN 0.417 nan 8.290 nan 0.000 0.532 442 I N 1.681 122.207 120.570 -0.072 0.000 2.582 442 I HA 0.404 4.573 4.170 -0.001 0.000 0.292 442 I C -1.186 174.894 176.117 -0.063 0.000 1.066 442 I CA -1.369 59.878 61.300 -0.089 0.000 1.053 442 I CB 1.725 39.687 38.000 -0.064 0.000 1.241 442 I HN 0.237 nan 8.210 nan 0.000 0.421 443 N N 4.225 122.874 118.700 -0.085 0.000 2.571 443 N HA 0.161 4.900 4.740 -0.001 0.000 0.273 443 N C 0.532 176.020 175.510 -0.038 0.000 1.340 443 N CA -0.618 52.414 53.050 -0.030 0.000 0.789 443 N CB 1.350 39.817 38.487 -0.033 0.000 1.514 443 N HN 0.546 nan 8.380 nan 0.000 0.499 444 Y N -0.192 120.074 120.300 -0.058 0.000 2.384 444 Y HA -0.174 4.375 4.550 -0.001 0.000 0.289 444 Y C 2.141 178.016 175.900 -0.042 0.000 1.152 444 Y CA 2.084 60.149 58.100 -0.059 0.000 1.258 444 Y CB -1.041 37.351 38.460 -0.114 0.000 0.979 444 Y HN 0.643 nan 8.280 nan 0.000 0.549 445 T N -1.621 112.479 114.554 -0.757 0.000 2.867 445 T HA -0.188 4.162 4.350 -0.001 0.000 0.268 445 T C 1.509 176.237 174.700 0.046 0.000 1.057 445 T CA 1.363 63.206 62.100 -0.429 0.000 1.136 445 T CB -0.714 68.018 68.868 -0.227 0.000 0.874 445 T HN 0.597 nan 8.240 nan 0.000 0.466 446 N N 1.997 120.555 118.700 -0.237 0.000 2.381 446 N HA 0.005 4.745 4.740 -0.001 0.000 0.182 446 N C 1.886 177.374 175.510 -0.035 0.000 1.025 446 N CA 1.624 54.425 53.050 -0.414 0.000 0.888 446 N CB -0.239 37.934 38.487 -0.524 0.000 0.965 446 N HN 0.746 nan 8.380 nan 0.000 0.438 447 I N -4.116 116.493 120.570 0.065 0.000 4.057 447 I HA 0.254 4.424 4.170 -0.001 0.000 0.334 447 I C 0.207 176.487 176.117 0.272 0.000 1.308 447 I CA -0.493 60.892 61.300 0.142 0.000 1.125 447 I CB -0.075 37.995 38.000 0.118 0.000 1.034 447 I HN -0.304 nan 8.210 nan 0.000 0.401 448 F N 3.886 123.893 119.950 0.096 0.000 2.563 448 F HA 0.291 4.817 4.527 -0.001 0.000 0.363 448 F C 0.292 176.175 175.800 0.139 0.000 1.123 448 F CA -0.246 57.834 58.000 0.133 0.000 1.307 448 F CB 0.221 39.261 39.000 0.066 0.000 1.115 448 F HN 0.183 nan 8.300 nan 0.000 0.592 449 N N 2.093 120.548 118.700 -0.409 0.000 2.572 449 N HA 0.150 4.890 4.740 -0.001 0.000 0.287 449 N C -0.726 174.515 175.510 -0.449 0.000 1.136 449 N CA -0.241 52.642 53.050 -0.277 0.000 0.900 449 N CB 1.181 39.653 38.487 -0.025 0.000 1.484 449 N HN 0.559 nan 8.380 nan 0.000 0.526 450 T N 0.114 114.476 114.554 -0.321 0.000 3.308 450 T HA 0.184 4.534 4.350 -0.001 0.000 0.270 450 T C 0.072 174.804 174.700 0.055 0.000 0.992 450 T CA -0.387 61.588 62.100 -0.209 0.000 0.931 450 T CB -0.766 67.965 68.868 -0.228 0.000 1.142 450 T HN 0.377 nan 8.240 nan 0.000 0.525 451 Y N 1.543 121.825 120.300 -0.030 0.000 2.304 451 Y HA 0.632 5.182 4.550 -0.001 0.000 0.327 451 Y C 0.516 176.343 175.900 -0.121 0.000 1.209 451 Y CA 0.301 58.320 58.100 -0.134 0.000 1.299 451 Y CB 0.695 38.936 38.460 -0.364 0.000 1.249 451 Y HN 0.514 nan 8.280 nan 0.000 0.519 452 G N 4.183 112.535 108.800 -0.747 0.000 2.489 452 G HA2 0.196 4.155 3.960 -0.001 0.000 0.305 452 G HA3 0.196 4.155 3.960 -0.001 0.000 0.305 452 G C -2.574 172.011 174.900 -0.525 0.000 1.311 452 G CA -0.718 44.097 45.100 -0.475 0.000 0.813 452 G HN 0.349 nan 8.290 nan 0.000 0.480 453 P HA 0.034 nan 4.420 nan 0.000 0.231 453 P C 1.033 178.214 177.300 -0.198 0.000 1.158 453 P CA 0.731 63.691 63.100 -0.234 0.000 0.763 453 P CB 0.215 31.828 31.700 -0.145 0.000 0.805 454 L N -1.255 119.851 121.223 -0.195 0.000 2.728 454 L HA 0.178 4.518 4.340 -0.001 0.000 0.238 454 L C 0.585 177.374 176.870 -0.135 0.000 1.143 454 L CA -0.044 54.712 54.840 -0.139 0.000 0.937 454 L CB -0.341 41.653 42.059 -0.108 0.000 1.225 454 L HN -0.215 nan 8.230 nan 0.000 0.507 455 T N 1.698 116.132 114.554 -0.200 0.000 2.870 455 T HA 0.461 4.810 4.350 -0.001 0.000 0.300 455 T C 0.241 174.914 174.700 -0.044 0.000 0.989 455 T CA -0.123 61.908 62.100 -0.116 0.000 1.139 455 T CB 1.317 70.071 68.868 -0.190 0.000 0.920 455 T HN 0.269 nan 8.240 nan 0.000 0.537 456 A N 4.069 126.898 122.820 0.015 0.000 2.356 456 A HA 0.838 5.158 4.320 -0.001 0.000 0.310 456 A C -0.479 177.153 177.584 0.080 0.000 1.075 456 A CA -0.886 51.167 52.037 0.026 0.000 0.746 456 A CB 0.669 19.663 19.000 -0.010 0.000 1.221 456 A HN 0.919 nan 8.150 nan 0.000 0.443 457 L N -0.156 121.123 121.223 0.093 0.000 2.502 457 L HA 0.784 5.123 4.340 -0.001 0.000 0.253 457 L C -1.189 175.734 176.870 0.088 0.000 1.070 457 L CA -1.215 53.697 54.840 0.121 0.000 0.871 457 L CB 1.855 44.033 42.059 0.198 0.000 1.487 457 L HN 0.467 nan 8.230 nan 0.000 0.408 458 N N 0.797 119.552 118.700 0.092 0.000 2.328 458 N HA 0.328 5.068 4.740 -0.001 0.000 0.299 458 N C -1.340 174.214 175.510 0.074 0.000 1.179 458 N CA -0.624 52.470 53.050 0.073 0.000 0.793 458 N CB 1.939 40.471 38.487 0.075 0.000 1.366 458 N HN 0.834 nan 8.380 nan 0.000 0.493 459 N N -0.154 118.577 118.700 0.052 0.000 2.326 459 N HA 0.052 4.792 4.740 -0.001 0.000 0.239 459 N C -0.373 175.172 175.510 0.059 0.000 1.301 459 N CA -0.335 52.742 53.050 0.045 0.000 0.909 459 N CB 0.761 39.254 38.487 0.010 0.000 1.156 459 N HN 0.076 nan 8.380 nan 0.000 0.462 460 V N 2.680 122.632 119.914 0.063 0.000 2.673 460 V HA 0.122 4.242 4.120 -0.001 0.000 0.303 460 V C -1.630 174.509 176.094 0.075 0.000 1.046 460 V CA -0.748 61.602 62.300 0.084 0.000 1.126 460 V CB 0.776 32.650 31.823 0.085 0.000 0.934 460 V HN 0.725 nan 8.190 nan 0.000 0.487 461 P HA 0.375 nan 4.420 nan 0.000 0.279 461 P C -2.864 174.476 177.300 0.067 0.000 1.252 461 P CA -2.193 60.971 63.100 0.106 0.000 0.811 461 P CB 0.450 32.273 31.700 0.205 0.000 1.035 462 P HA 0.118 nan 4.420 nan 0.000 0.271 462 P C -0.625 176.603 177.300 -0.120 0.000 1.216 462 P CA 0.079 63.201 63.100 0.038 0.000 0.771 462 P CB 0.302 31.953 31.700 -0.082 0.000 0.864 463 V N 4.965 124.774 119.914 -0.175 0.000 2.277 463 V HA 0.159 4.279 4.120 -0.001 0.000 0.269 463 V C -0.460 175.457 176.094 -0.295 0.000 1.036 463 V CA -0.597 61.481 62.300 -0.369 0.000 0.821 463 V CB -0.301 31.181 31.823 -0.569 0.000 1.052 463 V HN 0.446 nan 8.190 nan 0.000 0.462 464 Y N 9.270 129.242 120.300 -0.547 0.000 2.336 464 Y HA 0.481 5.031 4.550 -0.001 0.000 0.335 464 Y C -1.692 173.964 175.900 -0.407 0.000 1.046 464 Y CA -1.861 55.771 58.100 -0.780 0.000 1.198 464 Y CB 2.076 39.378 38.460 -1.931 0.000 1.182 464 Y HN 0.439 nan 8.280 nan 0.000 0.502 465 P HA 0.091 nan 4.420 nan 0.000 0.282 465 P C -0.108 176.823 177.300 -0.615 0.000 1.327 465 P CA 0.497 62.788 63.100 -1.348 0.000 0.949 465 P CB 0.669 31.365 31.700 -1.674 0.000 1.445 466 N N 0.396 118.871 118.700 -0.375 0.000 2.494 466 N HA 0.002 4.742 4.740 -0.001 0.000 0.182 466 N C 1.236 176.638 175.510 -0.179 0.000 1.076 466 N CA 0.461 53.385 53.050 -0.209 0.000 0.908 466 N CB 0.092 38.388 38.487 -0.318 0.000 0.967 466 N HN 0.170 nan 8.380 nan 0.000 0.449 467 G N 0.673 109.366 108.800 -0.177 0.000 2.503 467 G HA2 0.137 4.097 3.960 -0.001 0.000 0.257 467 G HA3 0.137 4.097 3.960 -0.001 0.000 0.257 467 G C -0.135 174.813 174.900 0.080 0.000 1.214 467 G CA -0.350 44.774 45.100 0.039 0.000 0.839 467 G HN 0.157 nan 8.290 nan 0.000 0.559 468 Q N 0.478 120.315 119.800 0.062 0.000 2.340 468 Q HA 0.268 4.608 4.340 -0.001 0.000 0.249 468 Q C 0.506 176.413 176.000 -0.155 0.000 0.957 468 Q CA -0.460 55.281 55.803 -0.103 0.000 0.882 468 Q CB 0.821 29.525 28.738 -0.056 0.000 1.235 468 Q HN 0.509 nan 8.270 nan 0.000 0.439 469 I N 1.516 121.843 120.570 -0.406 0.000 2.364 469 I HA 0.083 4.252 4.170 -0.001 0.000 0.241 469 I C 0.379 176.613 176.117 0.195 0.000 1.082 469 I CA 0.310 61.424 61.300 -0.309 0.000 1.401 469 I CB -0.040 37.604 38.000 -0.593 0.000 1.126 469 I HN 0.690 nan 8.210 nan 0.000 0.429 470 W N 0.229 121.530 121.300 0.001 0.000 2.799 470 W HA 0.741 5.400 4.660 -0.001 0.000 0.349 470 W C -1.486 175.123 176.519 0.150 0.000 1.100 470 W CA -0.895 56.485 57.345 0.058 0.000 1.174 470 W CB 0.672 30.070 29.460 -0.103 0.000 1.427 470 W HN -0.258 nan 8.180 nan 0.000 0.547 471 D N 0.861 121.479 120.400 0.364 0.000 2.756 471 D HA 0.249 4.888 4.640 -0.001 0.000 0.226 471 D C -1.445 174.882 176.300 0.045 0.000 1.186 471 D CA -0.824 53.339 54.000 0.270 0.000 0.845 471 D CB 2.305 43.266 40.800 0.268 0.000 1.610 471 D HN 0.432 nan 8.370 nan 0.000 0.465 472 K N 1.883 122.163 120.400 -0.200 0.000 2.339 472 K HA 0.146 4.466 4.320 -0.001 0.000 0.286 472 K C -0.067 176.545 176.600 0.020 0.000 1.050 472 K CA -0.377 55.733 56.287 -0.295 0.000 0.956 472 K CB 0.828 32.895 32.500 -0.722 0.000 0.990 472 K HN 0.356 nan 8.250 nan 0.000 0.475 473 E N 2.709 122.920 120.200 0.018 0.000 2.409 473 E HA 0.045 4.394 4.350 -0.001 0.000 0.257 473 E C -0.699 176.101 176.600 0.334 0.000 1.150 473 E CA -0.125 56.344 56.400 0.115 0.000 0.942 473 E CB 0.335 30.065 29.700 0.049 0.000 0.979 473 E HN 0.208 nan 8.360 nan 0.000 0.447 474 F N 1.385 121.431 119.950 0.158 0.000 2.443 474 F HA 0.098 4.624 4.527 -0.001 0.000 0.353 474 F C 0.951 176.786 175.800 0.058 0.000 1.101 474 F CA -0.704 57.347 58.000 0.085 0.000 1.226 474 F CB 0.321 39.349 39.000 0.046 0.000 1.140 474 F HN 0.335 nan 8.300 nan 0.000 0.557 475 D N 1.836 122.368 120.400 0.221 0.000 2.741 475 D HA 0.104 4.744 4.640 -0.001 0.000 0.233 475 D C -0.446 175.913 176.300 0.098 0.000 1.160 475 D CA 0.246 54.321 54.000 0.125 0.000 1.003 475 D CB -0.043 40.808 40.800 0.084 0.000 1.064 475 D HN 0.365 nan 8.370 nan 0.000 0.503 476 T N 0.822 115.451 114.554 0.125 0.000 2.885 476 T HA 0.148 4.498 4.350 -0.001 0.000 0.285 476 T C 0.764 175.512 174.700 0.080 0.000 1.019 476 T CA -0.740 61.421 62.100 0.101 0.000 1.010 476 T CB 1.655 70.624 68.868 0.168 0.000 1.022 476 T HN 0.042 nan 8.240 nan 0.000 0.466 477 D N 1.541 121.974 120.400 0.055 0.000 2.087 477 D HA -0.028 4.612 4.640 -0.001 0.000 0.192 477 D C 0.678 177.006 176.300 0.047 0.000 0.993 477 D CA 1.352 55.378 54.000 0.044 0.000 0.828 477 D CB 0.082 40.900 40.800 0.031 0.000 0.968 477 D HN 0.366 nan 8.370 nan 0.000 0.448 478 L N 1.100 122.353 121.223 0.050 0.000 2.275 478 L HA 0.341 4.680 4.340 -0.001 0.000 0.288 478 L C 0.305 177.211 176.870 0.060 0.000 1.046 478 L CA -0.435 54.434 54.840 0.047 0.000 0.805 478 L CB 1.283 43.366 42.059 0.039 0.000 1.193 478 L HN -0.250 nan 8.230 nan 0.000 0.426 479 K N 3.476 123.908 120.400 0.053 0.000 2.139 479 K HA 0.502 4.821 4.320 -0.001 0.000 0.243 479 K C -2.197 174.413 176.600 0.017 0.000 0.983 479 K CA -1.399 54.919 56.287 0.050 0.000 0.890 479 K CB 0.773 33.301 32.500 0.046 0.000 1.090 479 K HN 0.411 nan 8.250 nan 0.000 0.445 480 P HA 0.116 nan 4.420 nan 0.000 0.271 480 P C -0.427 176.864 177.300 -0.014 0.000 1.216 480 P CA -0.092 62.976 63.100 -0.053 0.000 0.776 480 P CB 0.915 32.514 31.700 -0.168 0.000 0.881 481 R N 0.821 121.316 120.500 -0.009 0.000 2.193 481 R HA 0.012 4.352 4.340 -0.001 0.000 0.229 481 R C 1.077 177.392 176.300 0.024 0.000 1.110 481 R CA 1.027 57.135 56.100 0.012 0.000 0.988 481 R CB -0.419 29.893 30.300 0.020 0.000 0.871 481 R HN 0.577 nan 8.270 nan 0.000 0.458 482 L N -4.476 116.767 121.223 0.033 0.000 2.828 482 L HA 0.560 4.899 4.340 -0.001 0.000 0.264 482 L C -1.450 175.512 176.870 0.152 0.000 1.106 482 L CA -1.279 53.604 54.840 0.072 0.000 0.955 482 L CB 1.865 43.956 42.059 0.055 0.000 1.558 482 L HN -0.239 nan 8.230 nan 0.000 0.386 483 H N -0.051 118.982 119.070 -0.061 0.000 2.667 483 H HA 0.475 5.030 4.556 -0.001 0.000 0.353 483 H C 0.447 175.774 175.328 -0.003 0.000 1.072 483 H CA -0.325 55.684 56.048 -0.064 0.000 1.214 483 H CB 2.193 31.917 29.762 -0.063 0.000 1.600 483 H HN 0.616 nan 8.280 nan 0.000 0.527 484 V N 0.794 120.763 119.914 0.091 0.000 3.573 484 V HA -0.023 4.096 4.120 -0.001 0.000 0.270 484 V C 0.903 177.055 176.094 0.097 0.000 1.221 484 V CA 1.627 63.974 62.300 0.079 0.000 1.163 484 V CB -0.701 31.148 31.823 0.042 0.000 0.847 484 V HN 0.803 nan 8.190 nan 0.000 0.468 485 N N 0.391 119.168 118.700 0.129 0.000 2.250 485 N HA 0.531 5.271 4.740 -0.001 0.000 0.190 485 N C 0.269 175.879 175.510 0.166 0.000 1.116 485 N CA 0.449 53.583 53.050 0.140 0.000 0.881 485 N CB 0.673 39.238 38.487 0.131 0.000 1.006 485 N HN 0.598 nan 8.380 nan 0.000 0.491 486 A N 0.661 123.581 122.820 0.167 0.000 2.517 486 A HA 0.450 4.770 4.320 -0.001 0.000 0.297 486 A C -2.355 175.289 177.584 0.100 0.000 1.050 486 A CA -1.212 50.923 52.037 0.163 0.000 0.694 486 A CB 1.417 20.515 19.000 0.165 0.000 1.277 486 A HN -0.004 nan 8.150 nan 0.000 0.400 487 P HA 0.101 nan 4.420 nan 0.000 0.231 487 P C -0.205 176.902 177.300 -0.321 0.000 1.168 487 P CA 0.879 63.867 63.100 -0.186 0.000 0.779 487 P CB -0.022 31.474 31.700 -0.340 0.000 0.844 488 F N -0.041 119.984 119.950 0.126 0.000 2.403 488 F HA 0.312 4.839 4.527 -0.001 0.000 0.355 488 F C 0.179 175.990 175.800 0.018 0.000 1.119 488 F CA -1.217 56.822 58.000 0.065 0.000 1.007 488 F CB 1.586 40.619 39.000 0.056 0.000 1.194 488 F HN -0.417 nan 8.300 nan 0.000 0.443 489 V N 3.150 123.115 119.914 0.085 0.000 2.370 489 V HA 0.293 4.412 4.120 -0.001 0.000 0.283 489 V C -0.200 175.908 176.094 0.022 0.000 1.023 489 V CA -0.989 61.263 62.300 -0.081 0.000 0.857 489 V CB 1.174 32.748 31.823 -0.416 0.000 0.985 489 V HN 0.959 nan 8.190 nan 0.000 0.443 490 c N 4.027 122.671 118.600 0.074 0.000 2.347 490 c HA 0.484 5.054 4.570 -0.001 0.000 0.353 490 c C 1.138 175.262 174.090 0.057 0.000 1.273 490 c CA -0.668 55.732 56.329 0.117 0.000 1.861 490 c CB 0.696 43.350 42.510 0.240 0.000 2.420 490 c HN 0.902 nan 8.230 nan 0.000 0.542 491 Q N 2.119 121.953 119.800 0.057 0.000 1.868 491 Q HA -0.055 4.285 4.340 -0.001 0.000 0.233 491 Q C 1.854 177.886 176.000 0.053 0.000 0.967 491 Q CA 1.395 57.222 55.803 0.040 0.000 0.863 491 Q CB -0.259 28.499 28.738 0.033 0.000 0.907 491 Q HN 0.828 nan 8.270 nan 0.000 0.442 492 N N 1.684 120.416 118.700 0.054 0.000 2.166 492 N HA -0.094 4.646 4.740 -0.001 0.000 0.186 492 N C 0.137 175.698 175.510 0.084 0.000 1.019 492 N CA 1.056 54.138 53.050 0.053 0.000 0.856 492 N CB -0.074 38.433 38.487 0.033 0.000 0.993 492 N HN 0.501 nan 8.380 nan 0.000 0.426 493 N N -0.888 117.895 118.700 0.139 0.000 2.369 493 N HA 0.359 5.099 4.740 -0.001 0.000 0.287 493 N C -1.559 174.273 175.510 0.536 0.000 1.067 493 N CA -0.723 52.487 53.050 0.266 0.000 0.888 493 N CB 1.555 40.198 38.487 0.260 0.000 1.616 493 N HN -0.158 nan 8.380 nan 0.000 0.482 494 c N 0.893 119.565 118.600 0.120 0.000 2.667 494 c HA 0.637 5.206 4.570 -0.001 0.000 0.323 494 c C -2.360 170.983 174.090 -1.244 0.000 1.214 494 c CA -1.245 54.881 56.329 -0.338 0.000 1.721 494 c CB 1.522 43.937 42.510 -0.160 0.000 2.275 494 c HN 0.613 nan 8.230 nan 0.000 0.491 495 P HA 0.263 nan 4.420 nan 0.000 0.269 495 P C 0.071 177.135 177.300 -0.394 0.000 1.209 495 P CA 0.579 62.926 63.100 -1.255 0.000 0.776 495 P CB 0.277 31.497 31.700 -0.799 0.000 0.876 496 G N 1.965 110.619 108.800 -0.243 0.000 2.562 496 G HA2 0.253 4.212 3.960 -0.001 0.000 0.275 496 G HA3 0.253 4.212 3.960 -0.001 0.000 0.275 496 G C -0.529 174.355 174.900 -0.026 0.000 1.196 496 G CA -0.608 44.451 45.100 -0.069 0.000 0.908 496 G HN 0.484 nan 8.290 nan 0.000 0.524 497 Q N -0.970 118.777 119.800 -0.088 0.000 2.312 497 Q HA 0.397 4.737 4.340 -0.001 0.000 0.236 497 Q C -1.018 174.587 176.000 -0.657 0.000 0.965 497 Q CA -0.619 54.958 55.803 -0.376 0.000 0.894 497 Q CB 1.942 30.367 28.738 -0.521 0.000 1.225 497 Q HN 0.294 nan 8.270 nan 0.000 0.478 498 L N 2.072 122.862 121.223 -0.722 0.000 2.305 498 L HA 0.462 4.801 4.340 -0.001 0.000 0.284 498 L C -1.703 174.706 176.870 -0.768 0.000 1.013 498 L CA -0.167 54.355 54.840 -0.530 0.000 0.819 498 L CB 0.556 42.547 42.059 -0.114 0.000 1.227 498 L HN 0.430 nan 8.230 nan 0.000 0.417 499 F N 4.415 124.285 119.950 -0.134 0.000 2.469 499 F HA 0.732 5.258 4.527 -0.001 0.000 0.332 499 F C 0.022 175.927 175.800 0.175 0.000 1.103 499 F CA -0.869 57.106 58.000 -0.041 0.000 0.979 499 F CB 1.898 40.726 39.000 -0.287 0.000 1.137 499 F HN 0.128 nan 8.300 nan 0.000 0.463 500 V N 2.473 122.675 119.914 0.481 0.000 2.962 500 V HA 0.737 4.857 4.120 -0.001 0.000 0.313 500 V C -1.037 175.167 176.094 0.184 0.000 1.099 500 V CA -0.888 61.578 62.300 0.277 0.000 0.971 500 V CB 2.554 34.433 31.823 0.094 0.000 1.028 500 V HN 0.803 nan 8.190 nan 0.000 0.430 501 K N 2.602 122.933 120.400 -0.115 0.000 2.589 501 K HA 0.548 4.868 4.320 -0.001 0.000 0.265 501 K C -1.960 174.465 176.600 -0.290 0.000 0.935 501 K CA -0.614 55.453 56.287 -0.367 0.000 0.850 501 K CB 2.052 33.912 32.500 -1.067 0.000 1.372 501 K HN 0.359 nan 8.250 nan 0.000 0.420 502 V N 3.291 123.079 119.914 -0.211 0.000 2.521 502 V HA 0.346 4.465 4.120 -0.001 0.000 0.286 502 V C 0.748 176.728 176.094 -0.191 0.000 1.034 502 V CA 0.119 62.328 62.300 -0.152 0.000 1.045 502 V CB 0.550 32.316 31.823 -0.094 0.000 0.974 502 V HN 0.883 nan 8.190 nan 0.000 0.480 503 A N 7.988 130.714 122.820 -0.156 0.000 2.406 503 A HA 0.531 4.851 4.320 -0.001 0.000 0.243 503 A C -2.180 175.329 177.584 -0.126 0.000 1.082 503 A CA -1.227 50.720 52.037 -0.151 0.000 0.786 503 A CB -0.351 18.585 19.000 -0.105 0.000 1.029 503 A HN 0.730 nan 8.150 nan 0.000 0.495 504 P HA 0.034 nan 4.420 nan 0.000 0.262 504 P C -0.607 176.632 177.300 -0.102 0.000 1.199 504 P CA 0.418 63.449 63.100 -0.115 0.000 0.763 504 P CB 0.025 31.645 31.700 -0.134 0.000 0.790 505 N N 3.872 122.524 118.700 -0.079 0.000 2.949 505 N HA 0.171 4.911 4.740 -0.001 0.000 0.243 505 N C -0.188 175.286 175.510 -0.059 0.000 1.113 505 N CA -0.398 52.615 53.050 -0.062 0.000 0.980 505 N CB 0.097 38.559 38.487 -0.042 0.000 1.256 505 N HN 0.295 nan 8.380 nan 0.000 0.508 506 L N 1.240 122.408 121.223 -0.090 0.000 2.482 506 L HA 0.120 4.459 4.340 -0.001 0.000 0.273 506 L C 1.558 178.409 176.870 -0.031 0.000 1.228 506 L CA -0.005 54.783 54.840 -0.086 0.000 0.827 506 L CB 0.456 42.405 42.059 -0.183 0.000 1.099 506 L HN 0.463 nan 8.230 nan 0.000 0.494 507 T N -2.518 112.039 114.554 0.005 0.000 2.892 507 T HA 0.142 4.492 4.350 -0.001 0.000 0.280 507 T C 1.120 175.843 174.700 0.037 0.000 1.004 507 T CA -0.389 61.724 62.100 0.022 0.000 0.950 507 T CB 0.881 69.767 68.868 0.029 0.000 1.309 507 T HN 0.711 nan 8.240 nan 0.000 0.592 508 N N 0.284 119.005 118.700 0.035 0.000 2.120 508 N HA -0.121 4.618 4.740 -0.001 0.000 0.188 508 N C 0.148 175.697 175.510 0.064 0.000 1.024 508 N CA 0.983 54.058 53.050 0.041 0.000 0.852 508 N CB -0.705 37.799 38.487 0.028 0.000 1.003 508 N HN 0.714 nan 8.380 nan 0.000 0.424 509 E N -0.113 120.127 120.200 0.066 0.000 2.223 509 E HA 0.177 4.526 4.350 -0.001 0.000 0.282 509 E C -1.484 175.202 176.600 0.144 0.000 1.046 509 E CA -0.111 56.334 56.400 0.075 0.000 0.857 509 E CB 0.399 30.126 29.700 0.045 0.000 1.055 509 E HN 0.380 nan 8.360 nan 0.000 0.409 510 Y N 2.797 123.098 120.300 0.002 0.000 2.323 510 Y HA 0.289 4.839 4.550 -0.001 0.000 0.322 510 Y C -1.976 173.926 175.900 0.003 0.000 1.133 510 Y CA -1.180 56.921 58.100 0.002 0.000 1.093 510 Y CB 1.371 39.832 38.460 0.003 0.000 1.203 510 Y HN 0.410 nan 8.280 nan 0.000 0.427 511 D N 8.374 128.384 120.400 -0.649 0.000 2.469 511 D HA 0.466 5.106 4.640 -0.001 0.000 0.251 511 D C -2.304 173.585 176.300 -0.685 0.000 1.173 511 D CA -2.468 51.225 54.000 -0.512 0.000 0.882 511 D CB 2.307 42.968 40.800 -0.232 0.000 1.129 511 D HN 0.309 nan 8.370 nan 0.000 0.549 512 P HA 0.014 nan 4.420 nan 0.000 0.226 512 P C 0.186 177.375 177.300 -0.185 0.000 1.153 512 P CA 0.687 63.553 63.100 -0.389 0.000 0.777 512 P CB 0.388 32.024 31.700 -0.107 0.000 0.794 513 D N -0.696 119.607 120.400 -0.161 0.000 2.342 513 D HA 0.179 4.818 4.640 -0.001 0.000 0.221 513 D C 0.495 176.743 176.300 -0.087 0.000 1.101 513 D CA 0.017 53.965 54.000 -0.087 0.000 0.837 513 D CB 0.450 41.216 40.800 -0.056 0.000 0.938 513 D HN 0.109 nan 8.370 nan 0.000 0.508 514 A N 0.949 123.697 122.820 -0.120 0.000 2.363 514 A HA 0.234 4.553 4.320 -0.001 0.000 0.270 514 A C 1.309 178.856 177.584 -0.062 0.000 1.121 514 A CA -0.363 51.622 52.037 -0.087 0.000 0.800 514 A CB 0.666 19.605 19.000 -0.102 0.000 1.052 514 A HN 0.093 nan 8.150 nan 0.000 0.493 515 S N 1.599 117.274 115.700 -0.041 0.000 2.660 515 S HA 0.323 4.793 4.470 -0.001 0.000 0.223 515 S C 0.924 175.509 174.600 -0.024 0.000 0.963 515 S CA 0.343 58.526 58.200 -0.028 0.000 0.932 515 S CB -0.662 62.524 63.200 -0.023 0.000 0.775 515 S HN 1.226 nan 8.310 nan 0.000 0.531 516 A N 1.854 124.656 122.820 -0.030 0.000 2.445 516 A HA 0.549 4.868 4.320 -0.001 0.000 0.270 516 A C 0.092 177.671 177.584 -0.008 0.000 1.495 516 A CA -0.692 51.333 52.037 -0.020 0.000 0.840 516 A CB -0.138 18.848 19.000 -0.023 0.000 1.472 516 A HN 0.544 nan 8.150 nan 0.000 0.541 517 N N -0.250 118.451 118.700 0.001 0.000 2.407 517 N HA 0.385 5.125 4.740 -0.001 0.000 0.277 517 N C -0.264 175.272 175.510 0.043 0.000 0.995 517 N CA -0.300 52.762 53.050 0.019 0.000 0.903 517 N CB 1.284 39.778 38.487 0.011 0.000 1.218 517 N HN 0.708 nan 8.380 nan 0.000 0.487 518 M N 2.432 122.083 119.600 0.084 0.000 2.243 518 M HA -0.056 4.424 4.480 -0.001 0.000 0.365 518 M C -0.467 175.894 176.300 0.100 0.000 1.327 518 M CA 0.887 56.283 55.300 0.160 0.000 0.918 518 M CB 0.289 33.024 32.600 0.225 0.000 1.894 518 M HN 0.368 nan 8.290 nan 0.000 0.473 519 S N 5.805 121.575 115.700 0.117 0.000 2.429 519 S HA 0.562 5.031 4.470 -0.001 0.000 0.302 519 S C -0.701 173.931 174.600 0.054 0.000 1.115 519 S CA -0.776 57.464 58.200 0.068 0.000 1.095 519 S CB 0.625 63.861 63.200 0.060 0.000 0.987 519 S HN 0.855 nan 8.310 nan 0.000 0.474 520 R N 3.347 123.862 120.500 0.025 0.000 2.778 520 R HA 0.530 4.869 4.340 -0.001 0.000 0.277 520 R C -0.640 175.665 176.300 0.008 0.000 0.977 520 R CA -0.850 55.252 56.100 0.004 0.000 0.950 520 R CB 1.355 31.648 30.300 -0.011 0.000 1.165 520 R HN 0.567 nan 8.270 nan 0.000 0.474 521 I N 1.934 122.507 120.570 0.004 0.000 2.533 521 I HA -0.000 4.169 4.170 -0.001 0.000 0.284 521 I C 0.211 176.344 176.117 0.026 0.000 1.109 521 I CA -0.298 61.010 61.300 0.014 0.000 1.412 521 I CB 1.083 39.088 38.000 0.008 0.000 1.396 521 I HN 0.257 nan 8.210 nan 0.000 0.543 522 V N 7.032 126.973 119.914 0.045 0.000 2.400 522 V HA 0.002 4.122 4.120 -0.001 0.000 0.263 522 V C 0.459 176.627 176.094 0.122 0.000 1.026 522 V CA 0.536 62.881 62.300 0.075 0.000 1.077 522 V CB -0.472 31.400 31.823 0.081 0.000 1.054 522 V HN 0.766 nan 8.190 nan 0.000 0.477 523 T N 5.775 120.392 114.554 0.105 0.000 2.885 523 T HA 0.787 5.137 4.350 -0.001 0.000 0.285 523 T C -0.777 174.026 174.700 0.172 0.000 1.019 523 T CA -0.393 61.766 62.100 0.098 0.000 1.010 523 T CB 1.716 70.587 68.868 0.005 0.000 1.022 523 T HN 0.648 nan 8.240 nan 0.000 0.466 524 Y N -1.191 119.087 120.300 -0.036 0.000 2.609 524 Y HA 0.812 5.361 4.550 -0.001 0.000 0.336 524 Y C -0.798 175.045 175.900 -0.095 0.000 1.129 524 Y CA -1.312 56.727 58.100 -0.103 0.000 1.040 524 Y CB 1.236 39.605 38.460 -0.152 0.000 1.310 524 Y HN 0.630 nan 8.280 nan 0.000 0.460 525 S N 1.196 116.825 115.700 -0.119 0.000 2.548 525 S HA 0.663 5.133 4.470 -0.001 0.000 0.286 525 S C -2.065 172.502 174.600 -0.055 0.000 1.098 525 S CA -0.613 57.520 58.200 -0.111 0.000 0.930 525 S CB 1.434 64.651 63.200 0.029 0.000 1.070 525 S HN 0.714 nan 8.310 nan 0.000 0.480 526 D N 2.764 123.149 120.400 -0.025 0.000 2.646 526 D HA 0.625 5.264 4.640 -0.001 0.000 0.245 526 D C -0.869 175.441 176.300 0.016 0.000 1.099 526 D CA -0.023 53.921 54.000 -0.092 0.000 0.849 526 D CB 1.568 42.324 40.800 -0.074 0.000 1.448 526 D HN 0.505 nan 8.370 nan 0.000 0.489 527 F N -1.456 118.404 119.950 -0.150 0.000 2.643 527 F HA 0.740 5.266 4.527 -0.001 0.000 0.314 527 F C -1.552 174.100 175.800 -0.247 0.000 1.096 527 F CA -1.370 56.576 58.000 -0.091 0.000 0.953 527 F CB 1.018 40.011 39.000 -0.012 0.000 1.345 527 F HN 0.119 nan 8.300 nan 0.000 0.468 528 W N 1.525 122.743 121.300 -0.136 0.000 2.469 528 W HA 0.503 5.162 4.660 -0.001 0.000 0.320 528 W C -1.377 175.017 176.519 -0.209 0.000 1.086 528 W CA -0.478 56.618 57.345 -0.414 0.000 1.211 528 W CB 1.583 30.413 29.460 -1.050 0.000 1.298 528 W HN 0.736 nan 8.180 nan 0.000 0.525 529 W N 5.330 126.655 121.300 0.041 0.000 2.632 529 W HA 0.579 5.238 4.660 -0.001 0.000 0.328 529 W C -1.157 175.491 176.519 0.215 0.000 1.044 529 W CA -1.423 56.031 57.345 0.181 0.000 1.225 529 W CB 1.100 30.665 29.460 0.175 0.000 1.396 529 W HN 0.247 nan 8.180 nan 0.000 0.499 530 K N 4.750 124.780 120.400 -0.616 0.000 2.471 530 K HA 0.724 5.044 4.320 -0.001 0.000 0.252 530 K C -0.545 175.362 176.600 -1.155 0.000 0.938 530 K CA -0.698 55.216 56.287 -0.622 0.000 0.796 530 K CB 1.486 33.991 32.500 0.008 0.000 1.161 530 K HN 0.702 nan 8.250 nan 0.000 0.425 531 G N 2.520 110.624 108.800 -1.159 0.000 2.498 531 G HA2 0.453 4.413 3.960 -0.001 0.000 0.312 531 G HA3 0.453 4.413 3.960 -0.001 0.000 0.312 531 G C -1.553 173.519 174.900 0.287 0.000 1.230 531 G CA -0.543 44.368 45.100 -0.316 0.000 0.968 531 G HN 0.423 nan 8.290 nan 0.000 0.481 532 K N 1.420 122.011 120.400 0.318 0.000 2.668 532 K HA 0.384 4.704 4.320 -0.001 0.000 0.246 532 K C -1.831 174.772 176.600 0.004 0.000 0.976 532 K CA -0.677 55.708 56.287 0.164 0.000 0.902 532 K CB 1.799 34.286 32.500 -0.021 0.000 1.172 532 K HN 0.320 nan 8.250 nan 0.000 0.452 533 L N 4.756 125.819 121.223 -0.266 0.000 2.296 533 L HA 0.469 4.809 4.340 -0.001 0.000 0.286 533 L C -1.210 175.491 176.870 -0.282 0.000 1.023 533 L CA -0.577 53.979 54.840 -0.473 0.000 0.812 533 L CB 1.786 43.131 42.059 -1.190 0.000 1.223 533 L HN 0.286 nan 8.230 nan 0.000 0.421 534 V N 5.290 125.003 119.914 -0.336 0.000 2.495 534 V HA 0.530 4.649 4.120 -0.001 0.000 0.298 534 V C -0.518 175.327 176.094 -0.415 0.000 1.031 534 V CA -0.516 61.662 62.300 -0.204 0.000 0.871 534 V CB 1.459 33.209 31.823 -0.123 0.000 0.988 534 V HN 0.498 nan 8.190 nan 0.000 0.432 535 F N 2.565 122.504 119.950 -0.018 0.000 2.575 535 F HA 0.750 5.276 4.527 -0.001 0.000 0.330 535 F C 0.066 175.893 175.800 0.046 0.000 1.056 535 F CA -0.942 57.078 58.000 0.033 0.000 0.964 535 F CB 2.054 41.118 39.000 0.107 0.000 1.258 535 F HN 0.298 nan 8.300 nan 0.000 0.484 536 K N 1.161 121.763 120.400 0.337 0.000 2.507 536 K HA 0.834 5.153 4.320 -0.001 0.000 0.252 536 K C -1.569 175.261 176.600 0.384 0.000 0.943 536 K CA -0.332 56.107 56.287 0.254 0.000 0.808 536 K CB 1.616 34.171 32.500 0.091 0.000 1.142 536 K HN 0.774 nan 8.250 nan 0.000 0.426 537 A N 3.317 126.340 122.820 0.339 0.000 2.435 537 A HA 0.720 5.040 4.320 -0.001 0.000 0.296 537 A C -1.462 176.161 177.584 0.065 0.000 1.147 537 A CA -0.797 51.390 52.037 0.250 0.000 0.775 537 A CB 1.399 20.466 19.000 0.113 0.000 1.340 537 A HN 0.656 nan 8.150 nan 0.000 0.427 538 K N 0.747 120.985 120.400 -0.270 0.000 2.270 538 K HA 0.673 4.993 4.320 -0.001 0.000 0.255 538 K C -1.308 175.077 176.600 -0.357 0.000 0.936 538 K CA -0.450 55.381 56.287 -0.760 0.000 0.809 538 K CB 1.048 32.784 32.500 -1.274 0.000 1.131 538 K HN 0.623 nan 8.250 nan 0.000 0.427 539 L N 5.112 126.166 121.223 -0.281 0.000 2.397 539 L HA 0.368 4.708 4.340 -0.001 0.000 0.271 539 L C 0.780 177.553 176.870 -0.163 0.000 1.148 539 L CA -0.646 54.104 54.840 -0.150 0.000 0.825 539 L CB 0.749 42.757 42.059 -0.085 0.000 1.117 539 L HN 0.725 nan 8.230 nan 0.000 0.456 540 R N 2.503 122.925 120.500 -0.131 0.000 2.679 540 R HA 0.689 5.029 4.340 -0.001 0.000 0.269 540 R C -0.688 175.532 176.300 -0.132 0.000 1.076 540 R CA -0.548 55.481 56.100 -0.118 0.000 1.160 540 R CB 0.701 30.935 30.300 -0.110 0.000 1.054 540 R HN 0.614 nan 8.270 nan 0.000 0.507 541 A N 1.498 124.231 122.820 -0.144 0.000 2.371 541 A HA 0.345 4.665 4.320 -0.001 0.000 0.311 541 A C -0.437 176.897 177.584 -0.416 0.000 1.068 541 A CA -0.754 51.127 52.037 -0.259 0.000 0.744 541 A CB 1.783 20.617 19.000 -0.277 0.000 1.239 541 A HN 0.811 nan 8.150 nan 0.000 0.435 542 S N 0.656 116.120 115.700 -0.394 0.000 2.562 542 S HA 0.304 4.773 4.470 -0.001 0.000 0.281 542 S C 0.351 174.617 174.600 -0.555 0.000 1.333 542 S CA 0.355 58.350 58.200 -0.342 0.000 1.052 542 S CB 0.071 63.137 63.200 -0.223 0.000 0.884 542 S HN 0.768 nan 8.310 nan 0.000 0.506 543 H N 0.835 119.898 119.070 -0.012 0.000 3.540 543 H HA 0.238 4.793 4.556 -0.001 0.000 0.259 543 H C 0.204 175.557 175.328 0.042 0.000 1.197 543 H CA 0.242 56.296 56.048 0.010 0.000 1.136 543 H CB 0.940 30.708 29.762 0.010 0.000 1.605 543 H HN 0.729 nan 8.280 nan 0.000 0.657 544 T N -3.317 111.308 114.554 0.118 0.000 2.942 544 T HA -0.004 4.346 4.350 -0.001 0.000 0.289 544 T C 0.621 175.406 174.700 0.142 0.000 1.044 544 T CA -0.974 61.215 62.100 0.149 0.000 1.023 544 T CB 1.730 70.680 68.868 0.137 0.000 1.123 544 T HN 0.286 nan 8.240 nan 0.000 0.512 545 W N 2.529 123.836 121.300 0.011 0.000 2.418 545 W HA -0.016 4.643 4.660 -0.001 0.000 0.292 545 W C 0.383 176.896 176.519 -0.011 0.000 1.213 545 W CA 0.915 58.259 57.345 -0.001 0.000 1.283 545 W CB -0.240 29.222 29.460 0.003 0.000 1.119 545 W HN 0.862 nan 8.180 nan 0.000 0.542 546 N N 2.162 121.011 118.700 0.248 0.000 2.530 546 N HA 0.150 4.890 4.740 -0.001 0.000 0.277 546 N C -2.611 172.911 175.510 0.020 0.000 1.168 546 N CA -1.066 52.067 53.050 0.139 0.000 0.979 546 N CB 0.504 39.083 38.487 0.153 0.000 1.141 546 N HN -0.124 nan 8.380 nan 0.000 0.459 547 P HA 0.258 nan 4.420 nan 0.000 0.274 547 P C -0.125 177.167 177.300 -0.014 0.000 1.246 547 P CA -0.532 62.546 63.100 -0.037 0.000 0.795 547 P CB 0.628 32.300 31.700 -0.047 0.000 1.006 548 I N 0.275 120.830 120.570 -0.025 0.000 2.918 548 I HA 0.199 4.368 4.170 -0.001 0.000 0.316 548 I C 0.645 176.755 176.117 -0.012 0.000 1.001 548 I CA -1.083 60.206 61.300 -0.018 0.000 1.142 548 I CB 0.373 38.349 38.000 -0.040 0.000 1.356 548 I HN 0.351 nan 8.210 nan 0.000 0.524 549 Q N 4.307 124.110 119.800 0.005 0.000 2.314 549 Q HA 0.183 4.523 4.340 -0.001 0.000 0.257 549 Q C -1.207 174.782 176.000 -0.018 0.000 0.975 549 Q CA -0.448 55.364 55.803 0.013 0.000 0.933 549 Q CB 0.688 29.464 28.738 0.063 0.000 1.195 549 Q HN 0.408 nan 8.270 nan 0.000 0.426 550 Q N 3.135 122.918 119.800 -0.029 0.000 2.301 550 Q HA 0.323 4.662 4.340 -0.001 0.000 0.267 550 Q C -0.294 175.679 176.000 -0.044 0.000 1.035 550 Q CA -0.586 55.185 55.803 -0.053 0.000 0.856 550 Q CB 2.061 30.758 28.738 -0.069 0.000 1.337 550 Q HN 0.747 nan 8.270 nan 0.000 0.450 551 M N 1.173 120.738 119.600 -0.058 0.000 2.217 551 M HA 0.329 4.808 4.480 -0.001 0.000 0.354 551 M C -0.621 175.636 176.300 -0.071 0.000 1.225 551 M CA 0.316 55.590 55.300 -0.044 0.000 1.137 551 M CB 0.774 33.352 32.600 -0.037 0.000 1.576 551 M HN 0.551 nan 8.290 nan 0.000 0.461 552 S N 4.900 120.560 115.700 -0.066 0.000 2.537 552 S HA 0.518 4.988 4.470 -0.001 0.000 0.270 552 S C -0.961 173.580 174.600 -0.098 0.000 1.142 552 S CA -1.026 57.120 58.200 -0.090 0.000 0.870 552 S CB 1.424 64.584 63.200 -0.067 0.000 1.112 552 S HN 0.895 nan 8.310 nan 0.000 0.466 553 I N 3.336 123.821 120.570 -0.142 0.000 2.823 553 I HA 0.443 4.613 4.170 -0.001 0.000 0.290 553 I C -0.346 175.736 176.117 -0.059 0.000 1.091 553 I CA 0.027 61.250 61.300 -0.128 0.000 1.365 553 I CB 0.598 38.479 38.000 -0.198 0.000 1.427 553 I HN 0.979 nan 8.210 nan 0.000 0.583 554 N N 2.640 121.326 118.700 -0.023 0.000 3.106 554 N HA 0.167 4.907 4.740 -0.001 0.000 0.253 554 N C 0.069 175.551 175.510 -0.047 0.000 1.506 554 N CA -0.402 52.628 53.050 -0.033 0.000 0.876 554 N CB 0.998 39.476 38.487 -0.015 0.000 1.452 554 N HN 0.245 nan 8.380 nan 0.000 0.542 555 V N -3.370 116.517 119.914 -0.045 0.000 2.867 555 V HA -0.105 4.014 4.120 -0.001 0.000 0.260 555 V C 0.518 176.595 176.094 -0.028 0.000 1.099 555 V CA 1.827 64.094 62.300 -0.054 0.000 1.122 555 V CB -0.787 31.024 31.823 -0.020 0.000 0.708 555 V HN 0.652 nan 8.190 nan 0.000 0.490 556 D N 1.609 122.008 120.400 -0.002 0.000 2.262 556 D HA -0.058 4.582 4.640 -0.001 0.000 0.212 556 D C 1.848 178.166 176.300 0.031 0.000 0.964 556 D CA 1.430 55.444 54.000 0.023 0.000 0.875 556 D CB -0.203 40.613 40.800 0.028 0.000 0.996 556 D HN 0.725 nan 8.370 nan 0.000 0.497 557 N N 1.040 119.766 118.700 0.044 0.000 2.392 557 N HA -0.126 4.614 4.740 -0.001 0.000 0.177 557 N C 1.596 177.171 175.510 0.109 0.000 1.066 557 N CA 0.309 53.410 53.050 0.085 0.000 0.895 557 N CB -0.518 38.081 38.487 0.187 0.000 0.988 557 N HN 0.173 nan 8.380 nan 0.000 0.457 558 Q N 0.237 120.055 119.800 0.030 0.000 2.124 558 Q HA -0.255 4.085 4.340 -0.001 0.000 0.215 558 Q C 0.551 176.492 176.000 -0.099 0.000 1.015 558 Q CA 2.025 57.776 55.803 -0.087 0.000 0.890 558 Q CB -0.450 28.015 28.738 -0.455 0.000 0.966 558 Q HN 0.378 nan 8.270 nan 0.000 0.412 559 F N 0.726 120.740 119.950 0.107 0.000 2.722 559 F HA 0.024 4.550 4.527 -0.001 0.000 0.298 559 F C 1.328 177.131 175.800 0.004 0.000 1.175 559 F CA 0.865 58.904 58.000 0.066 0.000 1.462 559 F CB -0.293 38.734 39.000 0.045 0.000 1.111 559 F HN 0.272 nan 8.300 nan 0.000 0.592 560 N N -1.682 117.013 118.700 -0.008 0.000 2.467 560 N HA -0.090 4.649 4.740 -0.001 0.000 0.184 560 N C 0.273 175.572 175.510 -0.351 0.000 1.106 560 N CA 0.333 53.236 53.050 -0.245 0.000 0.892 560 N CB -0.085 38.078 38.487 -0.540 0.000 0.969 560 N HN 0.241 nan 8.380 nan 0.000 0.454 561 Y N 0.221 120.615 120.300 0.157 0.000 2.607 561 Y HA 0.287 4.837 4.550 -0.001 0.000 0.266 561 Y C 0.105 176.120 175.900 0.192 0.000 1.178 561 Y CA -0.743 57.457 58.100 0.167 0.000 1.226 561 Y CB 0.223 38.748 38.460 0.109 0.000 1.144 561 Y HN -0.171 nan 8.280 nan 0.000 0.528 562 V N -3.180 116.918 119.914 0.307 0.000 3.087 562 V HA 0.708 4.827 4.120 -0.001 0.000 0.306 562 V C -2.763 173.461 176.094 0.216 0.000 1.187 562 V CA -2.690 59.769 62.300 0.264 0.000 0.999 562 V CB 1.945 33.936 31.823 0.280 0.000 1.049 562 V HN -0.199 nan 8.190 nan 0.000 0.431 563 P HA 0.277 nan 4.420 nan 0.000 0.272 563 P C 0.024 177.365 177.300 0.068 0.000 1.240 563 P CA 0.182 63.350 63.100 0.113 0.000 0.791 563 P CB 0.812 32.558 31.700 0.076 0.000 0.978 564 S N 0.275 115.996 115.700 0.035 0.000 2.707 564 S HA 0.136 4.605 4.470 -0.001 0.000 0.276 564 S C 1.273 175.864 174.600 -0.015 0.000 1.179 564 S CA -0.429 57.767 58.200 -0.007 0.000 0.992 564 S CB 0.209 63.403 63.200 -0.010 0.000 1.030 564 S HN 0.544 nan 8.310 nan 0.000 0.554 565 N N 0.481 119.161 118.700 -0.033 0.000 2.453 565 N HA -0.092 4.648 4.740 -0.001 0.000 0.183 565 N C 0.997 176.496 175.510 -0.018 0.000 1.041 565 N CA 0.807 53.841 53.050 -0.027 0.000 0.900 565 N CB -0.581 37.884 38.487 -0.036 0.000 0.961 565 N HN 0.518 nan 8.380 nan 0.000 0.443 566 I N -0.306 120.254 120.570 -0.016 0.000 3.427 566 I HA 0.197 4.366 4.170 -0.001 0.000 0.288 566 I C 1.455 177.569 176.117 -0.005 0.000 1.249 566 I CA 0.415 61.708 61.300 -0.012 0.000 1.421 566 I CB -1.002 36.990 38.000 -0.014 0.000 1.086 566 I HN 0.430 nan 8.210 nan 0.000 0.448 567 G N 0.610 109.410 108.800 0.001 0.000 2.131 567 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.223 567 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.223 567 G C 0.803 175.714 174.900 0.018 0.000 0.990 567 G CA -0.052 45.056 45.100 0.014 0.000 0.671 567 G HN 0.663 nan 8.290 nan 0.000 0.521 568 G N -0.411 108.395 108.800 0.010 0.000 2.441 568 G HA2 0.532 4.491 3.960 -0.001 0.000 0.243 568 G HA3 0.532 4.491 3.960 -0.001 0.000 0.243 568 G C 0.170 175.084 174.900 0.024 0.000 1.281 568 G CA 0.121 45.224 45.100 0.006 0.000 0.854 568 G HN 0.295 nan 8.290 nan 0.000 0.560 569 M N 0.725 120.321 119.600 -0.006 0.000 2.619 569 M HA 0.521 5.000 4.480 -0.001 0.000 0.297 569 M C -0.242 176.134 176.300 0.127 0.000 1.229 569 M CA -0.776 54.547 55.300 0.037 0.000 0.860 569 M CB 2.639 35.165 32.600 -0.123 0.000 1.741 569 M HN 0.823 nan 8.290 nan 0.000 0.462 570 K N 0.569 121.115 120.400 0.244 0.000 2.533 570 K HA 0.829 5.148 4.320 -0.001 0.000 0.272 570 K C -1.680 175.096 176.600 0.293 0.000 0.985 570 K CA -0.765 55.681 56.287 0.266 0.000 0.876 570 K CB 2.145 34.744 32.500 0.165 0.000 1.452 570 K HN 0.662 nan 8.250 nan 0.000 0.439 571 I N 2.584 123.295 120.570 0.235 0.000 2.595 571 I HA 0.154 4.323 4.170 -0.001 0.000 0.276 571 I C -0.748 175.415 176.117 0.077 0.000 1.109 571 I CA -1.129 60.262 61.300 0.153 0.000 1.084 571 I CB 1.866 39.921 38.000 0.092 0.000 1.206 571 I HN 0.418 nan 8.210 nan 0.000 0.486 572 V N 5.613 125.541 119.914 0.024 0.000 2.763 572 V HA -0.067 4.053 4.120 -0.001 0.000 0.306 572 V C -0.082 175.973 176.094 -0.065 0.000 1.059 572 V CA 0.129 62.418 62.300 -0.019 0.000 1.138 572 V CB 0.461 32.208 31.823 -0.126 0.000 0.940 572 V HN 0.538 nan 8.190 nan 0.000 0.489 573 Y N 4.128 124.259 120.300 -0.282 0.000 2.314 573 Y HA 0.660 5.210 4.550 -0.001 0.000 0.334 573 Y C 0.026 175.839 175.900 -0.144 0.000 1.266 573 Y CA -0.893 56.980 58.100 -0.379 0.000 1.391 573 Y CB 0.527 38.401 38.460 -0.978 0.000 1.306 573 Y HN 0.595 nan 8.280 nan 0.000 0.558 574 E N 1.818 121.914 120.200 -0.174 0.000 2.359 574 E HA 0.393 4.743 4.350 -0.001 0.000 0.266 574 E C -1.127 175.645 176.600 0.287 0.000 0.920 574 E CA -1.208 55.149 56.400 -0.072 0.000 0.788 574 E CB 2.271 32.050 29.700 0.131 0.000 1.279 574 E HN 0.636 nan 8.360 nan 0.000 0.438 575 K N 0.322 120.893 120.400 0.286 0.000 2.106 575 K HA 0.359 4.678 4.320 -0.001 0.000 0.246 575 K C 0.776 177.643 176.600 0.446 0.000 0.987 575 K CA -0.226 56.343 56.287 0.471 0.000 0.904 575 K CB 1.349 34.069 32.500 0.367 0.000 1.071 575 K HN 0.584 nan 8.250 nan 0.000 0.453 576 S N -0.084 115.866 115.700 0.417 0.000 2.670 576 S HA -0.013 4.456 4.470 -0.001 0.000 0.241 576 S C 0.429 175.063 174.600 0.057 0.000 1.077 576 S CA -0.400 57.940 58.200 0.232 0.000 0.899 576 S CB 0.207 63.586 63.200 0.297 0.000 0.835 576 S HN 0.570 nan 8.310 nan 0.000 0.481 577 Q N 1.570 121.426 119.800 0.092 0.000 3.008 577 Q HA 0.412 4.752 4.340 -0.001 0.000 0.307 577 Q C 0.043 176.031 176.000 -0.021 0.000 1.273 577 Q CA -0.403 55.425 55.803 0.043 0.000 1.091 577 Q CB 0.479 29.293 28.738 0.126 0.000 1.393 577 Q HN 0.226 nan 8.270 nan 0.000 0.521 578 L N 0.479 121.606 121.223 -0.160 0.000 2.046 578 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 578 L C 1.084 177.915 176.870 -0.064 0.000 1.077 578 L CA 1.400 56.061 54.840 -0.299 0.000 0.747 578 L CB -0.727 41.231 42.059 -0.168 0.000 0.896 578 L HN 0.411 nan 8.230 nan 0.000 0.432 579 A N 0.404 123.180 122.820 -0.073 0.000 2.322 579 A HA 0.529 4.849 4.320 -0.001 0.000 0.269 579 A C -2.273 175.109 177.584 -0.337 0.000 1.094 579 A CA -1.042 50.931 52.037 -0.107 0.000 0.807 579 A CB -0.281 18.664 19.000 -0.093 0.000 1.047 579 A HN 0.038 nan 8.150 nan 0.000 0.487 580 P HA 0.468 nan 4.420 nan 0.000 0.281 580 P C -0.999 176.216 177.300 -0.142 0.000 1.264 580 P CA -0.476 62.401 63.100 -0.371 0.000 0.824 580 P CB 1.179 32.886 31.700 0.012 0.000 1.092 581 R N 0.605 121.046 120.500 -0.099 0.000 2.651 581 R HA 0.445 4.785 4.340 -0.001 0.000 0.278 581 R C -0.646 175.621 176.300 -0.055 0.000 1.010 581 R CA -0.937 55.133 56.100 -0.050 0.000 0.896 581 R CB 1.745 32.008 30.300 -0.062 0.000 1.211 581 R HN 0.444 nan 8.270 nan 0.000 0.456 582 K N 3.957 124.333 120.400 -0.041 0.000 2.218 582 K HA 0.149 4.469 4.320 -0.001 0.000 0.276 582 K C -0.198 176.335 176.600 -0.112 0.000 1.022 582 K CA -0.613 55.616 56.287 -0.098 0.000 0.946 582 K CB 1.558 34.032 32.500 -0.043 0.000 1.000 582 K HN 0.715 nan 8.250 nan 0.000 0.468 583 L N 2.699 123.822 121.223 -0.166 0.000 2.145 583 L HA 0.149 4.488 4.340 -0.001 0.000 0.201 583 L C 0.010 176.910 176.870 0.050 0.000 1.075 583 L CA 0.677 55.470 54.840 -0.079 0.000 0.773 583 L CB 0.165 42.145 42.059 -0.131 0.000 0.936 583 L HN 0.874 nan 8.230 nan 0.000 0.451 584 Y N 0.000 120.214 120.300 -0.144 0.000 2.660 584 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 584 Y CA 0.000 58.047 58.100 -0.088 0.000 1.940 584 Y CB 0.000 38.414 38.460 -0.077 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758